A0A5K4F7J3_SCHMA Loading...

Centrosomal protein of 78 kDa

AlphaFold DB , UniProt , Accession A0A5K4F7J3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,230 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
1M62.1Low81.3Confident191 Ų19195 Ų9594%0.94149%0.49SS*.  0131.60173.2174.9170.800108L25M1-L25 HydrophobicContact CB-CD2 3.81Å; M1-L25 HydrophobicContact CE-CD2 4.46Å; M1-L25 HydrophobicContact CG-CD2 3.74Å; M1-L25 HydrophobicContact SD-CD2 3.84Å
2I75Confident81.8Confident143 Ų14387.8 Ų87.873%0.73346%0.455SS*.PPolyproline II helixtrans-96134.4-176.4-57.1175.2000108.3
3P77.6Confident82.4Confident19 Ų1992.4 Ų92.412%0.12347%0.465CS..PPolyproline II helixtrans-53.8144.4173.6-24.832.4000112E7 R8 Y18 L22 L25P3-E7 HydrophobicContact CB-CB 4.32Å; P3-R8 HydrophobicContact CB-CG 4.08Å; P3-R8 PolarHBondContact O-NH1 3.31Å; P3-Y18 HydrophobicContact CB-CE2 4.29Å; P3-Y18 HydrophobicContact CG-CE2 4.3Å; P3-L22 HydrophobicContact CG-CD2 3.97Å; P3-L25 HydrophobicContact CG-CD1 3.75Å
4T84.9Confident83Confident73 Ų7390.5 Ų90.545%0.44846%0.457SS..PPolyproline II helixtrans-65.8162172.264.40000111.1K6 E7 R8T4-K6 PolarHBondContact O-N 3.19Å; T4-E7 WeakPolarHBondContact CB-OE2 3.49Å; T4-E7 WeakPolarHBondContact CG2-OE2 3.35Å; T4-E7 PolarHBondContact N-OE2 3.4Å; T4-E7 PolarHBondContact O-N 3.4Å; T4-E7 WeakPolarHBondContact OG1-CB 3.3Å; T4-E7 VanDerWaalsContact OG1-CD 3.23Å; T4-E7 VanDerWaalsContact OG1-CG 3.25Å; T4-E7 WeakPolarHBondContact OG1-CG 3.48Å; T4-E7 PolarHBondContact OG1-N 2.66Å; T4-E7 VanDerWaalsContact OG1-N 3.14Å; T4-E7 PolarHBondContact OG1-OE2 2.79Å; T4-R8 PolarHBondContact O-N 2.68Å
5V85.1Confident83.6Confident85 Ų8584.7 Ų84.752%0.51543%0.427SS..Hα-helixtrans-59-38.8174.4178.40000110.9R8 Q9V5-R8 PolarHBondContact O-N 3.09Å; V5-Q9 HydrophobicContact CG1-CG 4.38Å; V5-Q9 WeakPolarHBondContact O-CB 3.26Å; V5-Q9 VanDerWaalsContact O-CG 3.31Å; V5-Q9 WeakPolarHBondContact O-CG 3.41Å; V5-Q9 PolarHBondContact O-N 2.75Å
6K84.9Confident84.2Confident169 Ų16983.4 Ų83.474%0.73542%0.416SS*.Hα-helixtrans-63.4-45.6177.3-67.9-175.3177.5-178.20111.9T4 R8 Q9 A10T4-K6 PolarHBondContact O-N 3.19Å; K6-R8 PolarHBondContact O-N 2.56Å; K6-Q9 PolarHBondContact O-N 3.36Å; K6-A10 WeakPolarHBondContact O-CB 3.31Å; K6-A10 PolarHBondContact O-N 3.5Å
7E83.2Confident84.6Confident84 Ų8485.8 Ų85.839%0.39342%0.423SS..Hα-helixtrans-64.2-38177.5-73.2159.5148.600112.5P3 T4 G11P3-E7 HydrophobicContact CB-CB 4.32Å; T4-E7 WeakPolarHBondContact CB-OE2 3.49Å; T4-E7 WeakPolarHBondContact CG2-OE2 3.35Å; T4-E7 PolarHBondContact N-OE2 3.4Å; T4-E7 PolarHBondContact O-N 3.4Å; T4-E7 WeakPolarHBondContact OG1-CB 3.3Å; T4-E7 VanDerWaalsContact OG1-CD 3.23Å; T4-E7 VanDerWaalsContact OG1-CG 3.25Å; T4-E7 WeakPolarHBondContact OG1-CG 3.48Å; T4-E7 PolarHBondContact OG1-N 2.66Å; T4-E7 VanDerWaalsContact OG1-N 3.14Å; T4-E7 PolarHBondContact OG1-OE2 2.79Å; E7-G11 WeakPolarHBondContact O-CA 3.45Å; E7-G11 PolarHBondContact O-N 3.41Å
8R84.6Confident85.1Confident85 Ų8581.7 Ų81.732%0.32140%0.402SS..Hα-helixtrans-65.7-42.5172.2-71.5-163-71.1-82.4-6.9112.4P3 T4 V5 K6 G11 A12 Y18 I64P3-R8 HydrophobicContact CB-CG 4.08Å; P3-R8 PolarHBondContact O-NH1 3.31Å; T4-R8 PolarHBondContact O-N 2.68Å; V5-R8 PolarHBondContact O-N 3.09Å; K6-R8 PolarHBondContact O-N 2.56Å; R8-G11 PolarHBondContact O-N 3.19Å; R8-A12 PolarHBondContact O-N 3.43Å; R8-Y18 HydrophobicContact CG-CE2 4.05Å; R8-I64 HydrophobicContact CB-CD1 3.99Å; R8-I64 HydrophobicContact CG-CD1 4.25Å; R8-I64 WeakPolarHBondContact O-CD1 3.47Å
9Q86Confident85.6Confident125 Ų12577.5 Ų77.558%0.58438%0.381SS*.Hα-helixtrans-65.5-40.1179.3-76.5173.1-20.700112.2V5 K6 Y13V5-Q9 HydrophobicContact CG1-CG 4.38Å; V5-Q9 WeakPolarHBondContact O-CB 3.26Å; V5-Q9 VanDerWaalsContact O-CG 3.31Å; V5-Q9 WeakPolarHBondContact O-CG 3.41Å; V5-Q9 PolarHBondContact O-N 2.75Å; K6-Q9 PolarHBondContact O-N 3.36Å; Q9-Y13 WeakPolarHBondContact O-CD2 3.47Å
10A86.5Confident86Confident64 Ų6477 Ų7753%0.52938%0.378SS..Hα-helixtrans-68.9-47.9172.600000111.4K6 A12 Y13 D14K6-A10 WeakPolarHBondContact O-CB 3.31Å; K6-A10 PolarHBondContact O-N 3.5Å; A10-A12 VanDerWaalsContact C-N 3.25Å; A10-A12 PolarHBondContact O-N 3.29Å; A10-Y13 PolarHBondContact O-N 3.35Å; A10-D14 PolarHBondContact O-N 2.95Å
11G84.1Confident86.2Confident7 Ų776.5 Ų76.57%0.07238%0.377CS..Hα-helixtrans-64.5-22.6-177.800000115.2E7 R8 Y13 D14E7-G11 WeakPolarHBondContact O-CA 3.45Å; E7-G11 PolarHBondContact O-N 3.41Å; R8-G11 PolarHBondContact O-N 3.19Å; G11-Y13 PolarHBondContact O-N 2.75Å; G11-D14 CarbonylContact O-C 3.3Å; G11-D14 VanDerWaalsContact O-C 3.3Å; G11-D14 PolarHBondContact O-N 3.14Å; G11-D14 VanDerWaalsContact O-O 3.1Å
12A87Confident87.7Confident8 Ų867.7 Ų67.77%0.06633%0.334CS..THydrogen-bonded Turntrans-56.2-35.9168.700000112.3R8 A10 I64 N65 K66R8-A12 PolarHBondContact O-N 3.43Å; A10-A12 VanDerWaalsContact C-N 3.25Å; A10-A12 PolarHBondContact O-N 3.29Å; A12-I64 WeakPolarHBondContact CA-O 3.43Å; A12-I64 WeakPolarHBondContact CB-O 3.5Å; A12-N65 CarbonylContact O-C 3.24Å; A12-K66 HydrophobicContact CB-CD 4.32Å; A12-K66 HydrophobicContact CB-CG 4.27Å; A12-K66 WeakPolarHBondContact O-CA 3.38Å; A12-K66 WeakPolarHBondContact O-CB 3.09Å; A12-K66 PolarHBondContact O-N 3.1Å
13Y90.1Very high88.6Confident148 Ų14861 Ų6158%0.5830%0.299SS*.THydrogen-bonded Turntrans-95.2-8.2-178.8-61.3-79.3000113.9Q9 A10 G11 K66 S67Q9-Y13 WeakPolarHBondContact O-CD2 3.47Å; A10-Y13 PolarHBondContact O-N 3.35Å; G11-Y13 PolarHBondContact O-N 2.75Å; Y13-K66 HydrophobicContact CD1-CB 4Å; Y13-K66 HydrophobicContact CD1-CD 4.47Å; Y13-K66 HydrophobicContact CE1-CB 3.93Å; Y13-K66 HydrophobicContact CE1-CD 3.73Å; Y13-K66 HydrophobicContact CE2-CD 4.25Å; Y13-K66 PolarHBondContact OH-NZ 3.43Å; Y13-S67 VanDerWaalsContact O-CB 3.31Å; Y13-S67 WeakPolarHBondContact O-CB 3.25Å
14D91Very high89.2Confident66 Ų6663 Ų6335%0.35332%0.318SS..  trans-13586.5178.4-178.4-9.4000109.6A10 G11 R16 K17 Y18A10-D14 PolarHBondContact O-N 2.95Å; G11-D14 CarbonylContact O-C 3.3Å; G11-D14 VanDerWaalsContact O-C 3.3Å; G11-D14 PolarHBondContact O-N 3.14Å; G11-D14 VanDerWaalsContact O-O 3.1Å; D14-R16 VanDerWaalsContact C-N 3.33Å; D14-R16 PolarHBondContact O-N 3.07Å; D14-R16 PolarHBondContact OD1-N 2.9Å; D14-K17 HydrophobicContact CB-CB 4.34Å; D14-K17 WeakPolarHBondContact OD1-CB 3.34Å; D14-K17 PolarHBondContact OD1-N 2.83Å; D14-K17 WeakPolarHBondContact OD2-CB 3.37Å; D14-K17 WeakPolarHBondContact OD2-CD 3.47Å; D14-Y18 WeakPolarHBondContact O-CB 3.4Å; D14-Y18 PolarHBondContact O-N 2.72Å; D14-Y18 VanDerWaalsContact O-N 3.12Å
15F92.3Very high89.5Confident3 Ų362.2 Ų62.21%0.01331%0.311CS..Hα-helixtrans-59.9-42-178.3-178.1-88.3000112.4Y18 Y19 I34 V38 L43 A61 I62 N65 L68F15-Y18 PolarHBondContact O-N 3.07Å; F15-Y19 VanDerWaalsContact O-CB 3.22Å; F15-Y19 WeakPolarHBondContact O-CB 3.27Å; F15-Y19 PolarHBondContact O-N 2.82Å; F15-I34 HydrophobicContact CE1-CG2 4.04Å; F15-V38 HydrophobicContact CB-CG1 3.9Å; F15-V38 HydrophobicContact CD1-CB 4.44Å; F15-V38 HydrophobicContact CD1-CG1 3.79Å; F15-V38 HydrophobicContact CD1-CG2 3.71Å; F15-V38 HydrophobicContact CE1-CG2 4.04Å; F15-V38 HydrophobicContact CG-CG1 4.29Å; F15-L43 HydrophobicContact CE1-CD1 3.97Å; F15-L43 HydrophobicContact CE1-CD2 4.27Å; F15-L43 HydrophobicContact CE2-CD2 3.98Å; F15-L43 HydrophobicContact CZ-CD1 4.05Å; F15-L43 HydrophobicContact CZ-CD2 3.6Å; F15-L43 HydrophobicContact CZ-CG 4.45Å; F15-A61 HydrophobicContact CD2-CB 4.07Å; F15-A61 HydrophobicContact CE2-CB 3.55Å; F15-A61 HydrophobicContact CZ-CB 3.93Å; F15-I62 HydrophobicContact CE2-CG1 3.99Å; F15-I62 HydrophobicContact CZ-CG1 4.38Å; F15-N65 HydrophobicContact CD2-CB 4.42Å; F15-L68 HydrophobicContact CB-CG 4.46Å; F15-L68 HydrophobicContact CD2-CD1 3.73Å; F15-L68 HydrophobicContact CE2-CD1 4Å; F15-L68 HydrophobicContact CG-CD1 4.02Å; F15-L68 HydrophobicContact CG-CG 4.46Å
16R92.8Very high89.8Confident65 Ų6562.5 Ų62.525%0.24530%0.302CS..Hα-helixtrans-58.5-59.2-177.1171.8-174.7-77-75.85.2109.3D14 Y18 Y19 E20 T35 V38 D39D14-R16 VanDerWaalsContact C-N 3.33Å; D14-R16 PolarHBondContact O-N 3.07Å; D14-R16 PolarHBondContact OD1-N 2.9Å; R16-Y18 VanDerWaalsContact C-N 3.29Å; R16-Y18 PolarHBondContact O-N 3.25Å; R16-Y19 PolarHBondContact O-N 2.84Å; R16-E20 HydrophobicContact CG-CG 4.43Å; R16-E20 WeakPolarHBondContact CG-OE1 3.31Å; R16-E20 IonicContact NH1-OE1 3.8Å; R16-E20 PolarHBondContact NH1-OE1 3.37Å; R16-E20 VanDerWaalsContact NH1-OE1 3.14Å; R16-E20 WeakPolarHBondContact O-CB 3.4Å; R16-E20 VanDerWaalsContact O-CG 3.29Å; R16-E20 WeakPolarHBondContact O-CG 3.43Å; R16-E20 PolarHBondContact O-N 3.49Å; R16-T35 PolarHBondContact NH2-O 3.1Å; R16-V38 HydrophobicContact CB-CG1 3.86Å; R16-D39 IonicContact CZ-OD1 3.17Å; R16-D39 IonicContact CZ-OD2 2.7Å; R16-D39 IonicContact NE-OD1 2.63Å; R16-D39 PolarHBondContact NE-OD1 3.12Å; R16-D39 IonicContact NE-OD2 2.95Å; R16-D39 PolarHBondContact NE-OD2 3.3Å; R16-D39 IonicContact NH2-OD1 2.59Å; R16-D39 IonicContact NH2-OD2 2.7Å; R16-D39 PolarHBondContact NH2-OD2 3.27Å
17K91.5Very high90.1Very high124 Ų12461.9 Ų61.954%0.53931%0.307SS..Hα-helixtrans-62.5-37.4-176.6-173.1174.4-175.9170.60112.2D14 N21D14-K17 HydrophobicContact CB-CB 4.34Å; D14-K17 WeakPolarHBondContact OD1-CB 3.34Å; D14-K17 PolarHBondContact OD1-N 2.83Å; D14-K17 WeakPolarHBondContact OD2-CB 3.37Å; D14-K17 WeakPolarHBondContact OD2-CD 3.47Å; K17-N21 VanDerWaalsContact O-CB 3.29Å; K17-N21 WeakPolarHBondContact O-CB 3.41Å; K17-N21 PolarHBondContact O-N 2.99Å; K17-N21 PolarHBondContact O-ND2 3.48Å
18Y93.3Very high90.4Very high12 Ų1260.4 Ų60.45%0.04730%0.299CS..Hα-helixtrans-70.5-41.1178.1-170.8-112.3000112.8P3 R8 D14 F15 R16 N21 L22 A61 I64P3-Y18 HydrophobicContact CB-CE2 4.29Å; P3-Y18 HydrophobicContact CG-CE2 4.3Å; R8-Y18 HydrophobicContact CG-CE2 4.05Å; D14-Y18 WeakPolarHBondContact O-CB 3.4Å; D14-Y18 PolarHBondContact O-N 2.72Å; D14-Y18 VanDerWaalsContact O-N 3.12Å; F15-Y18 PolarHBondContact O-N 3.07Å; R16-Y18 VanDerWaalsContact C-N 3.29Å; R16-Y18 PolarHBondContact O-N 3.25Å; Y18-N21 PolarHBondContact O-N 2.88Å; Y18-L22 HydrophobicContact CD1-CD1 3.76Å; Y18-L22 HydrophobicContact CD1-CG 4.44Å; Y18-L22 HydrophobicContact CE1-CD1 3.36Å; Y18-L22 HydrophobicContact CE1-CG 4.08Å; Y18-L22 HydrophobicContact CE2-CG 4.48Å; Y18-L22 WeakPolarHBondContact O-CB 3.36Å; Y18-L22 VanDerWaalsContact O-CG 3.31Å; Y18-L22 WeakPolarHBondContact O-CG 3.43Å; Y18-L22 PolarHBondContact O-N 3.43Å; Y18-A61 HydrophobicContact CD1-CB 4.17Å; Y18-I64 HydrophobicContact CD1-CD1 3.84Å; Y18-I64 HydrophobicContact CD1-CG1 4.14Å; Y18-I64 HydrophobicContact CD2-CD1 4.47Å; Y18-I64 HydrophobicContact CE1-CD1 3.31Å; Y18-I64 HydrophobicContact CE1-CG1 3.72Å; Y18-I64 HydrophobicContact CE2-CD1 4.03Å; Y18-I64 HydrophobicContact CG-CD1 4.4Å; Y18-I64 VanDerWaalsContact CZ-CD1 3.44Å
19Y94Very high90.7Very high2 Ų261.3 Ų61.31%0.00832%0.319CS..Hα-helixtrans-63.5-46.4173.2172.3-107.2000111.6F15 R16 N21 L22 C23 P30 I31 I34 T35 P57 V58 A61F15-Y19 VanDerWaalsContact O-CB 3.22Å; F15-Y19 WeakPolarHBondContact O-CB 3.27Å; F15-Y19 PolarHBondContact O-N 2.82Å; R16-Y19 PolarHBondContact O-N 2.84Å; Y19-N21 VanDerWaalsContact C-N 3.34Å; Y19-N21 PolarHBondContact O-N 2.98Å; Y19-L22 PolarHBondContact O-N 3.24Å; Y19-L22 VanDerWaalsContact O-N 3.14Å; Y19-C23 VanDerWaalsContact CE2-SG 3.6Å; Y19-C23 WeakPolarHBondContact O-CB 3.29Å; Y19-C23 PolarHBondContact O-N 3.44Å; Y19-P30 HydrophobicContact CD1-CB 4.44Å; Y19-P30 HydrophobicContact CE1-CB 3.93Å; Y19-I31 PolarHBondContact OH-N 3.01Å; Y19-I31 VanDerWaalsContact OH-N 3.15Å; Y19-I34 HydrophobicContact CD1-CG2 3.91Å; Y19-I34 HydrophobicContact CD2-CG2 4.35Å; Y19-I34 HydrophobicContact CE1-CB 4.25Å; Y19-I34 HydrophobicContact CE1-CG2 3.62Å; Y19-I34 HydrophobicContact CE2-CG2 4.11Å; Y19-I34 HydrophobicContact CG-CG2 4.27Å; Y19-T35 HydrophobicContact CD1-CG2 3.93Å; Y19-T35 HydrophobicContact CE1-CG2 3.95Å; Y19-P57 HydrophobicContact CD2-CB 4.14Å; Y19-P57 HydrophobicContact CE2-CB 3.92Å; Y19-V58 HydrophobicContact CD2-CG2 4.47Å; Y19-V58 HydrophobicContact CE2-CG2 3.67Å; Y19-A61 HydrophobicContact CD2-CB 4.39Å
20E93.4Very high90.9Very high66 Ų6658.2 Ų58.231%0.30831%0.31SS..Hα-helixtrans-59.6-42.8176.5-71.2170.1-175.900111.4R16 C23 A24 P30R16-E20 HydrophobicContact CG-CG 4.43Å; R16-E20 WeakPolarHBondContact CG-OE1 3.31Å; R16-E20 IonicContact NH1-OE1 3.8Å; R16-E20 PolarHBondContact NH1-OE1 3.37Å; R16-E20 VanDerWaalsContact NH1-OE1 3.14Å; R16-E20 WeakPolarHBondContact O-CB 3.4Å; R16-E20 VanDerWaalsContact O-CG 3.29Å; R16-E20 WeakPolarHBondContact O-CG 3.43Å; R16-E20 PolarHBondContact O-N 3.49Å; E20-C23 WeakPolarHBondContact O-CB 3.48Å; E20-C23 PolarHBondContact O-N 3.47Å; E20-A24 WeakPolarHBondContact O-CB 3.19Å; E20-A24 PolarHBondContact O-N 3.24Å; E20-P30 HydrophobicContact CB-CG 4.2Å; E20-P30 HydrophobicContact CG-CB 4.01Å; E20-P30 HydrophobicContact CG-CG 3.82Å
21N91.8Very high91.1Very high68 Ų6857 Ų5736%0.36429%0.294SS..Hα-helixtrans-62.7-42.4172.8-74-16.3000112.7K17 Y18 Y19 A24 L25K17-N21 VanDerWaalsContact O-CB 3.29Å; K17-N21 WeakPolarHBondContact O-CB 3.41Å; K17-N21 PolarHBondContact O-N 2.99Å; K17-N21 PolarHBondContact O-ND2 3.48Å; Y18-N21 PolarHBondContact O-N 2.88Å; Y19-N21 VanDerWaalsContact C-N 3.34Å; Y19-N21 PolarHBondContact O-N 2.98Å; N21-A24 PolarHBondContact O-N 3.26Å; N21-L25 WeakPolarHBondContact O-CB 3.39Å; N21-L25 WeakPolarHBondContact O-CG 3.3Å; N21-L25 PolarHBondContact O-N 2.67Å
22L92.5Very high91.1Very high6 Ų661.1 Ų61.13%0.03132%0.322CS..Hα-helixtrans-66.4-37177.4-75.9171.1000112.6P3 Y18 Y19 R26 P57 D60 A61P3-L22 HydrophobicContact CG-CD2 3.97Å; Y18-L22 HydrophobicContact CD1-CD1 3.76Å; Y18-L22 HydrophobicContact CD1-CG 4.44Å; Y18-L22 HydrophobicContact CE1-CD1 3.36Å; Y18-L22 HydrophobicContact CE1-CG 4.08Å; Y18-L22 HydrophobicContact CE2-CG 4.48Å; Y18-L22 WeakPolarHBondContact O-CB 3.36Å; Y18-L22 VanDerWaalsContact O-CG 3.31Å; Y18-L22 WeakPolarHBondContact O-CG 3.43Å; Y18-L22 PolarHBondContact O-N 3.43Å; Y19-L22 PolarHBondContact O-N 3.24Å; Y19-L22 VanDerWaalsContact O-N 3.14Å; L22-R26 WeakPolarHBondContact O-CB 3.12Å; L22-R26 WeakPolarHBondContact O-CG 3.36Å; L22-R26 PolarHBondContact O-N 2.95Å; L22-P57 HydrophobicContact CB-CB 4.05Å; L22-D60 HydrophobicContact CD1-CB 3.6Å; L22-D60 HydrophobicContact CD2-CB 4.35Å; L22-A61 HydrophobicContact CD1-CB 4.11Å
23C93.3Very high90.7Very high1 Ų162.8 Ų62.81%0.00734%0.335CS..Hα-helixtrans-61.9-50.5171.3-800000110.8Y19 E20 L25 R26 N27 F28 P30Y19-C23 VanDerWaalsContact CE2-SG 3.6Å; Y19-C23 WeakPolarHBondContact O-CB 3.29Å; Y19-C23 PolarHBondContact O-N 3.44Å; E20-C23 WeakPolarHBondContact O-CB 3.48Å; E20-C23 PolarHBondContact O-N 3.47Å; C23-L25 PolarHBondContact O-N 3Å; C23-R26 CarbonylContact O-C 3.59Å; C23-R26 PolarHBondContact O-N 3.25Å; C23-R26 VanDerWaalsContact O-N 3.1Å; C23-N27 PolarHBondContact O-N 3.41Å; C23-F28 CarbonylContact C-O 3.6Å; C23-F28 HydrophobicContact CB-CB 4.35Å; C23-F28 WeakPolarHBondContact CB-O 3.24Å; C23-F28 PolarHBondContact O-N 3.29Å; C23-P30 HydrophobicContact CB-CG 4.07Å
24A91.8Very high90.5Very high63 Ų6355.8 Ų55.852%0.52131%0.308SS..Hα-helixtrans-58.9-45.2176.700000112.6E20 N21 R26 N27E20-A24 WeakPolarHBondContact O-CB 3.19Å; E20-A24 PolarHBondContact O-N 3.24Å; N21-A24 PolarHBondContact O-N 3.26Å; A24-R26 PolarHBondContact O-N 3.28Å; A24-R26 VanDerWaalsContact O-N 3.13Å; A24-N27 PolarHBondContact O-N 3.02Å; A24-N27 VanDerWaalsContact O-N 3.16Å
25L90.6Very high90.3Very high56 Ų5653.5 Ų53.529%0.29330%0.296SS..Hα-helixtrans-63-17.1177.2-74.3169.1000114.4M1 P3 N21 C23M1-L25 HydrophobicContact CB-CD2 3.81Å; M1-L25 HydrophobicContact CE-CD2 4.46Å; M1-L25 HydrophobicContact CG-CD2 3.74Å; M1-L25 HydrophobicContact SD-CD2 3.84Å; P3-L25 HydrophobicContact CG-CD1 3.75Å; N21-L25 WeakPolarHBondContact O-CB 3.39Å; N21-L25 WeakPolarHBondContact O-CG 3.3Å; N21-L25 PolarHBondContact O-N 2.67Å; C23-L25 PolarHBondContact O-N 3Å
26R91.2Very high89.7Confident90 Ų9055.6 Ų55.634%0.3431%0.311SS..THydrogen-bonded Turntrans-115.612179.7-67.1173.1175.5-11518.2112.6L22 C23 A24 F28 D56 D60L22-R26 WeakPolarHBondContact O-CB 3.12Å; L22-R26 WeakPolarHBondContact O-CG 3.36Å; L22-R26 PolarHBondContact O-N 2.95Å; C23-R26 CarbonylContact O-C 3.59Å; C23-R26 PolarHBondContact O-N 3.25Å; C23-R26 VanDerWaalsContact O-N 3.1Å; A24-R26 PolarHBondContact O-N 3.28Å; A24-R26 VanDerWaalsContact O-N 3.13Å; R26-F28 VanDerWaalsContact C-N 3.32Å; R26-F28 HydrophobicContact CB-CD2 3.67Å; R26-F28 HydrophobicContact CB-CE2 3.82Å; R26-F28 PolarHBondContact O-N 2.81Å; R26-D56 IonicContact CZ-OD2 3.41Å; R26-D56 IonicContact NH1-OD2 3.14Å; R26-D56 PolarHBondContact NH1-OD2 3.44Å; R26-D56 IonicContact NH2-OD2 2.84Å; R26-D60 IonicContact CZ-OD2 3.68Å; R26-D60 IonicContact NH2-OD2 2.86Å; R26-D60 PolarHBondContact NH2-OD2 3.44Å
27N90.4Very high89.1Confident156 Ų15654 Ų5483%0.83431%0.307SS*.THydrogen-bonded Turntrans56.736.3-178.3-61.4-29000114.9C23 A24C23-N27 PolarHBondContact O-N 3.41Å; A24-N27 PolarHBondContact O-N 3.02Å; A24-N27 VanDerWaalsContact O-N 3.16Å
28F90.3Very high88.8Confident53 Ų5348.6 Ų48.623%0.23228%0.284CS..  trans-108.8146.8172.5-62.9-57.4000111.8C23 R26 Q53 E54 P57C23-F28 CarbonylContact C-O 3.6Å; C23-F28 HydrophobicContact CB-CB 4.35Å; C23-F28 WeakPolarHBondContact CB-O 3.24Å; C23-F28 PolarHBondContact O-N 3.29Å; R26-F28 VanDerWaalsContact C-N 3.32Å; R26-F28 HydrophobicContact CB-CD2 3.67Å; R26-F28 HydrophobicContact CB-CE2 3.82Å; R26-F28 PolarHBondContact O-N 2.81Å; F28-Q53 HydrophobicContact CE1-CB 4.3Å; F28-Q53 HydrophobicContact CE2-CB 4.24Å; F28-Q53 HydrophobicContact CZ-CB 3.58Å; F28-E54 HydrophobicContact CD1-CG 4.34Å; F28-P57 HydrophobicContact CD2-CG 4.13Å
29S90.4Very high88.4Confident105 Ų10553.3 Ų53.373%0.73431%0.31SS*.PPolyproline II helixtrans-76.6133.6165.9-58.20000110I31S29-I31 PolarHBondContact O-N 3.12Å
30P90.9Very high87.9Confident59 Ų5958.8 Ų58.838%0.38334%0.339SS..PPolyproline II helixtrans-57.1132.3175-2534.5000112Y19 E20 C23 S32 T35Y19-P30 HydrophobicContact CD1-CB 4.44Å; Y19-P30 HydrophobicContact CE1-CB 3.93Å; E20-P30 HydrophobicContact CB-CG 4.2Å; E20-P30 HydrophobicContact CG-CB 4.01Å; E20-P30 HydrophobicContact CG-CG 3.82Å; C23-P30 HydrophobicContact CB-CG 4.07Å; P30-S32 PolarHBondContact O-N 3.44Å; P30-T35 HydrophobicContact CB-CG2 4.34Å
31I89.6Confident87.5Confident38 Ų3856 Ų5620%0.19533%0.329CS..PPolyproline II helixtrans-78.9118.5-177.7-62.9175.6000109.5Y19 S29 A33 I34 T35 I50 E54Y19-I31 PolarHBondContact OH-N 3.01Å; Y19-I31 VanDerWaalsContact OH-N 3.15Å; S29-I31 PolarHBondContact O-N 3.12Å; I31-A33 VanDerWaalsContact C-N 3.26Å; I31-A33 HydrophobicContact CG2-CB 4.09Å; I31-A33 PolarHBondContact O-N 3.29Å; I31-I34 HydrophobicContact CB-CB 4.44Å; I31-I34 HydrophobicContact CB-CD1 3.94Å; I31-I34 HydrophobicContact CD1-CD1 4.1Å; I31-I34 HydrophobicContact CG2-CD1 4.2Å; I31-I34 WeakPolarHBondContact O-CB 3.48Å; I31-I34 PolarHBondContact O-N 3.34Å; I31-T35 PolarHBondContact O-N 3.16Å; I31-T35 VanDerWaalsContact O-N 3.16Å; I31-I50 HydrophobicContact CD1-CG1 4.15Å; I31-I50 HydrophobicContact CD1-CG2 4.08Å; I31-E54 HydrophobicContact CD1-CB 4.06Å
32S85.6Confident87.3Confident94 Ų9453.5 Ų53.566%0.65732%0.316SS*.Hα-helixtrans-53.4-41.6-176.858.80000113.1P30 I34 T35 S36P30-S32 PolarHBondContact O-N 3.44Å; S32-I34 PolarHBondContact O-N 3.14Å; S32-T35 WeakPolarHBondContact CA-OG1 3.23Å; S32-T35 PolarHBondContact O-N 3.38Å; S32-T35 VanDerWaalsContact O-N 3.16Å; S32-T35 PolarHBondContact O-OG1 3.27Å; S32-S36 WeakPolarHBondContact O-CA 3.43Å; S32-S36 WeakPolarHBondContact O-CB 3.28Å; S32-S36 PolarHBondContact O-N 3.4Å
33A78.5Confident87.2Confident43 Ų4353.2 Ų53.236%0.35531%0.314SS..Hα-helixtrans-55.8-46.4176.700000112.4I31 S36I31-A33 VanDerWaalsContact C-N 3.26Å; I31-A33 HydrophobicContact CG2-CB 4.09Å; I31-A33 PolarHBondContact O-N 3.29Å; A33-S36 PolarHBondContact O-N 3.45Å; A33-S36 PolarHBondContact O-OG 2.95Å
34I85.7Confident86.8Confident2 Ų253.9 Ų53.91%0.0132%0.318CS..Hα-helixtrans-65.1-40.3177.6-78.9152.9000111.3F15 Y19 I31 S32 V38 L43 I45 I50 V58F15-I34 HydrophobicContact CE1-CG2 4.04Å; Y19-I34 HydrophobicContact CD1-CG2 3.91Å; Y19-I34 HydrophobicContact CD2-CG2 4.35Å; Y19-I34 HydrophobicContact CE1-CB 4.25Å; Y19-I34 HydrophobicContact CE1-CG2 3.62Å; Y19-I34 HydrophobicContact CE2-CG2 4.11Å; Y19-I34 HydrophobicContact CG-CG2 4.27Å; I31-I34 HydrophobicContact CB-CB 4.44Å; I31-I34 HydrophobicContact CB-CD1 3.94Å; I31-I34 HydrophobicContact CD1-CD1 4.1Å; I31-I34 HydrophobicContact CG2-CD1 4.2Å; I31-I34 WeakPolarHBondContact O-CB 3.48Å; I31-I34 PolarHBondContact O-N 3.34Å; S32-I34 PolarHBondContact O-N 3.14Å; I34-V38 WeakPolarHBondContact O-CG2 3.49Å; I34-L43 HydrophobicContact CB-CD1 4.49Å; I34-L43 HydrophobicContact CG2-CD1 3.99Å; I34-I45 HydrophobicContact CG1-CD1 4.03Å; I34-I45 HydrophobicContact CG1-CG1 3.98Å; I34-I45 HydrophobicContact CG1-CG2 4.4Å; I34-I50 HydrophobicContact CD1-CD1 3.82Å; I34-V58 HydrophobicContact CD1-CG2 3.48Å; I34-V58 VanDerWaalsContact CD1-CG2 3.48Å
35T86.9Confident86.6Confident17 Ų1750.9 Ų50.910%0.10429%0.293CS..Hα-helixtrans-80.3-14.7-178.5600000114.9R16 Y19 P30 I31 S32 H37R16-T35 PolarHBondContact NH2-O 3.1Å; Y19-T35 HydrophobicContact CD1-CG2 3.93Å; Y19-T35 HydrophobicContact CE1-CG2 3.95Å; P30-T35 HydrophobicContact CB-CG2 4.34Å; I31-T35 PolarHBondContact O-N 3.16Å; I31-T35 VanDerWaalsContact O-N 3.16Å; S32-T35 WeakPolarHBondContact CA-OG1 3.23Å; S32-T35 PolarHBondContact O-N 3.38Å; S32-T35 VanDerWaalsContact O-N 3.16Å; S32-T35 PolarHBondContact O-OG1 3.27Å; T35-H37 PolarHBondContact O-N 3.22Å
36S79.8Confident86.3Confident47 Ų4750.3 Ų50.333%0.32929%0.294SS..THydrogen-bonded Turntrans-61.3-35.6-162.558.80000115.5S32 A33S32-S36 WeakPolarHBondContact O-CA 3.43Å; S32-S36 WeakPolarHBondContact O-CB 3.28Å; S32-S36 PolarHBondContact O-N 3.4Å; A33-S36 PolarHBondContact O-N 3.45Å; A33-S36 PolarHBondContact O-OG 2.95Å
37H79.8Confident86Confident32 Ų3246 Ų4615%0.14828%0.277CS..THydrogen-bonded Turntrans-122.36.9-173.4-67.977.6000113.6T35 D39 N40 V42 T546 L548T35-H37 PolarHBondContact O-N 3.22Å; H37-D39 VanDerWaalsContact C-N 3.25Å; H37-D39 PolarHBondContact O-N 2.84Å; H37-N40 WeakPolarHBondContact O-CB 3.47Å; H37-N40 PolarHBondContact O-N 3.36Å; H37-V42 CarbonylContact C-O 3.58Å; H37-V42 HydrophobicContact CB-CB 4.04Å; H37-V42 HydrophobicContact CB-CG1 4.34Å; H37-V42 PolarHBondContact O-N 3.48Å; H37-T546 PolarHBondContact CE1-OG1 3.37Å; H37-L548 HydrophobicContact CB-CD1 3.89Å; H37-L548 VanDerWaalsContact CD2-CD1 3.48Å; H37-L548 WeakPolarHBondContact CD2-CD1 3.48Å
38V86Confident85.7Confident10 Ų1040.8 Ų40.86%0.06125%0.25CC..G310 helixtrans-60.8-35.5-174170.40000112.1F15 R16 I34 N40 G41 V42 L68F15-V38 HydrophobicContact CB-CG1 3.9Å; F15-V38 HydrophobicContact CD1-CB 4.44Å; F15-V38 HydrophobicContact CD1-CG1 3.79Å; F15-V38 HydrophobicContact CD1-CG2 3.71Å; F15-V38 HydrophobicContact CE1-CG2 4.04Å; F15-V38 HydrophobicContact CG-CG1 4.29Å; R16-V38 HydrophobicContact CB-CG1 3.86Å; I34-V38 WeakPolarHBondContact O-CG2 3.49Å; V38-N40 PolarHBondContact O-N 3.4Å; V38-G41 WeakPolarHBondContact O-CA 3.48Å; V38-G41 PolarHBondContact O-N 2.99Å; V38-V42 WeakPolarHBondContact CA-O 3.48Å; V38-V42 PolarHBondContact N-O 3.29Å; V38-L68 HydrophobicContact CG1-CD2 4.38Å
39D84Confident85.2Confident111 Ų11146.6 Ų46.659%0.59427%0.27SS*.G310 helixtrans-67.3-24.4-179.1-47.6-45.9000111.8R16 H37 G41R16-D39 IonicContact CZ-OD1 3.17Å; R16-D39 IonicContact CZ-OD2 2.7Å; R16-D39 IonicContact NE-OD1 2.63Å; R16-D39 PolarHBondContact NE-OD1 3.12Å; R16-D39 IonicContact NE-OD2 2.95Å; R16-D39 PolarHBondContact NE-OD2 3.3Å; R16-D39 IonicContact NH2-OD1 2.59Å; R16-D39 IonicContact NH2-OD2 2.7Å; R16-D39 PolarHBondContact NH2-OD2 3.27Å; H37-D39 VanDerWaalsContact C-N 3.25Å; H37-D39 PolarHBondContact O-N 2.84Å; D39-G41 PolarHBondContact O-N 3.4Å
40N82.8Confident85.1Confident117 Ų11742.1 Ų42.163%0.62624%0.238SC*.G310 helixtrans-84.35.7171.1-63.2-25.3000112.6H37 V38 V42 H69H37-N40 WeakPolarHBondContact O-CB 3.47Å; H37-N40 PolarHBondContact O-N 3.36Å; V38-N40 PolarHBondContact O-N 3.4Å; N40-V42 VanDerWaalsContact C-N 3.34Å; N40-V42 HydrophobicContact CB-CG2 4.42Å; N40-H69 PolarHBondContact O-NE2 3.26Å
41G86.2Confident84.9Confident9 Ų945.9 Ų45.99%0.09325%0.248CC..THydrogen-bonded Turntrans75.817.9-174.900000114.4V38 D39 L68 H69 F70V38-G41 WeakPolarHBondContact O-CA 3.48Å; V38-G41 PolarHBondContact O-N 2.99Å; D39-G41 PolarHBondContact O-N 3.4Å; G41-L68 CarbonylContact O-C 3.58Å; G41-L68 WeakPolarHBondContact O-CA 3.31Å; G41-H69 PolarHBondContact O-CD2 2.87Å; G41-H69 PolarHBondContact O-N 2.87Å; G41-H69 PolarHBondContact O-NE2 3.4Å; G41-F70 PolarHBondContact O-N 2.87Å
42V87.3Confident84.8Confident14 Ų1447.3 Ų47.39%0.08526%0.259CS..EExtended strand (participates in β ladder)trans-118.6127.6-172.5-177.90000111.7H37 V38 N40 H69 F70 L548H37-V42 CarbonylContact C-O 3.58Å; H37-V42 HydrophobicContact CB-CB 4.04Å; H37-V42 HydrophobicContact CB-CG1 4.34Å; H37-V42 PolarHBondContact O-N 3.48Å; V38-V42 WeakPolarHBondContact CA-O 3.48Å; V38-V42 PolarHBondContact N-O 3.29Å; N40-V42 VanDerWaalsContact C-N 3.34Å; N40-V42 HydrophobicContact CB-CG2 4.42Å; V42-H69 VanDerWaalsContact CG2-CE1 3.47Å; V42-H69 WeakPolarHBondContact CG2-CE1 3.31Å; V42-F70 HydrophobicContact CB-CB 4.36Å; V42-F70 HydrophobicContact CG1-CB 4.06Å; V42-F70 HydrophobicContact CG1-CD1 3.52Å; V42-F70 HydrophobicContact CG1-CE1 4.13Å; V42-F70 HydrophobicContact CG1-CG 3.94Å; V42-F70 HydrophobicContact CG2-CB 4.07Å; V42-L548 HydrophobicContact CB-CD1 4.33Å; V42-L548 HydrophobicContact CG1-CD1 3.48Å; V42-L548 VanDerWaalsContact CG1-CD1 3.48Å
43L89.6Confident85Confident0 Ų049.2 Ų49.20%026%0.257CS..EExtended strand (participates in β ladder)trans-113.4114.8171.5179.261.1000109.4F15 I34 I45 I62 L68 F70 I71 A72F15-L43 HydrophobicContact CE1-CD1 3.97Å; F15-L43 HydrophobicContact CE1-CD2 4.27Å; F15-L43 HydrophobicContact CE2-CD2 3.98Å; F15-L43 HydrophobicContact CZ-CD1 4.05Å; F15-L43 HydrophobicContact CZ-CD2 3.6Å; F15-L43 HydrophobicContact CZ-CG 4.45Å; I34-L43 HydrophobicContact CB-CD1 4.49Å; I34-L43 HydrophobicContact CG2-CD1 3.99Å; L43-I45 HydrophobicContact CD1-CD1 3.91Å; L43-I45 HydrophobicContact CD1-CG1 3.78Å; L43-I45 HydrophobicContact CD2-CD1 4.11Å; L43-I45 HydrophobicContact CG-CD1 3.96Å; L43-I45 HydrophobicContact CG-CG1 3.93Å; L43-I62 HydrophobicContact CD2-CD1 3.9Å; L43-I62 HydrophobicContact CD2-CG1 3.76Å; L43-L68 HydrophobicContact CB-CD1 3.7Å; L43-L68 HydrophobicContact CB-CD2 4.25Å; L43-L68 HydrophobicContact CD2-CD1 3.82Å; L43-L68 HydrophobicContact CG-CD1 4.4Å; L43-F70 PolarHBondContact N-O 3.42Å; L43-I71 HydrophobicContact CB-CG1 4.4Å; L43-I71 HydrophobicContact CD2-CG2 4.36Å; L43-I71 CarbonylContact O-C 3.59Å; L43-I71 WeakPolarHBondContact O-CA 2.98Å; L43-A72 PolarHBondContact O-N 2.9Å
44D86Confident85.6Confident15 Ų1548.6 Ų48.68%0.0825%0.247CC..EExtended strand (participates in β ladder)trans-127.1104.8-177-173.8-21.1000109.4R74 L548D44-R74 IonicContact OD1-CZ 2.97Å; D44-R74 IonicContact OD1-NH1 2.67Å; D44-R74 PolarHBondContact OD1-NH1 3.25Å; D44-R74 IonicContact OD2-CZ 2.81Å; D44-R74 IonicContact OD2-NH1 2.75Å; D44-R74 PolarHBondContact OD2-NH1 2.87Å; D44-R74 IonicContact OD2-NH2 2.98Å; D44-L548 HydrophobicContact CB-CD1 4.11Å
45I86.4Confident85.9Confident1 Ų148.5 Ų48.51%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-112118.2-170.8-52.4-176.6000110.7I34 L43 I50 W55 V58 A72 V73 R74I34-I45 HydrophobicContact CG1-CD1 4.03Å; I34-I45 HydrophobicContact CG1-CG1 3.98Å; I34-I45 HydrophobicContact CG1-CG2 4.4Å; L43-I45 HydrophobicContact CD1-CD1 3.91Å; L43-I45 HydrophobicContact CD1-CG1 3.78Å; L43-I45 HydrophobicContact CD2-CD1 4.11Å; L43-I45 HydrophobicContact CG-CD1 3.96Å; L43-I45 HydrophobicContact CG-CG1 3.93Å; I45-I50 HydrophobicContact CG2-CD1 3.45Å; I45-I50 VanDerWaalsContact CG2-CD1 3.45Å; I45-W55 HydrophobicContact CG2-CH2 3.95Å; I45-W55 HydrophobicContact CG2-CZ3 4.36Å; I45-V58 HydrophobicContact CD1-CG1 3.69Å; I45-A72 PolarHBondContact N-O 2.93Å; I45-V73 HydrophobicContact CB-CG1 4.49Å; I45-V73 HydrophobicContact CB-CG2 4.41Å; I45-V73 HydrophobicContact CD1-CG2 4.37Å; I45-R74 PolarHBondContact O-N 2.88Å
46S85.8Confident86.2Confident43 Ų4350.4 Ų50.430%0.30126%0.256SS..EExtended strand (participates in β ladder)trans-81113.1159.3174.10000109.3D48 R74S46-D48 PolarHBondContact O-N 3.48Å; S46-D48 PolarHBondContact OG-OD2 3.43Å; S46-R74 CarbonylContact C-O 3.36Å; S46-R74 WeakPolarHBondContact CA-O 3.47Å
47A84.4Confident86.8Confident0 Ų048.1 Ų48.10%024%0.24CC..G310 helixtrans-72.3-13.5-175.300000114R49 W55 V73 R74 L97A47-R49 VanDerWaalsContact C-N 3.28Å; A47-R49 PolarHBondContact O-N 3.03Å; A47-W55 HydrophobicContact CB-CH2 4.01Å; A47-W55 HydrophobicContact CB-CZ2 3.84Å; A47-V73 HydrophobicContact CB-CG1 4.32Å; A47-R74 PolarHBondContact N-O 2.88Å; A47-L97 HydrophobicContact CB-CB 4.4Å; A47-L97 HydrophobicContact CB-CD2 3.61Å
48D83.5Confident87.5Confident47 Ų4746.6 Ų46.625%0.25123%0.233SC..G310 helixtrans-73.8-15.4-165.5-51.6-44000114.6S46 S75 F76 P95S46-D48 PolarHBondContact O-N 3.48Å; S46-D48 PolarHBondContact OG-OD2 3.43Å; D48-S75 WeakPolarHBondContact OD1-CA 3.44Å; D48-S75 WeakPolarHBondContact OD1-CB 3.47Å; D48-S75 PolarHBondContact OD1-OG 3.42Å; D48-F76 PolarHBondContact OD1-N 2.93Å; D48-F76 WeakPolarHBondContact OD2-CB 3.38Å; D48-F76 WeakPolarHBondContact OD2-CD2 3.5Å; D48-F76 PolarHBondContact OD2-N 3.41Å; D48-P95 HydrophobicContact CB-CG 4.11Å; D48-P95 WeakPolarHBondContact OD1-CG 3.43Å
49R80.7Confident87.9Confident174 Ų17446.5 Ų46.566%0.65723%0.232SC*.G310 helixtrans-120.64.3-172.2-58.9-170.5-172.3176.67.4114.9A47 P543A47-R49 VanDerWaalsContact C-N 3.28Å; A47-R49 PolarHBondContact O-N 3.03Å; R49-P543 PolarHBondContact NH1-O 2.96Å
50I87.7Confident88.4Confident11 Ų1143.6 Ų43.66%0.05622%0.216CC..  trans-97.2125.7-176.2-56.4178.6000109.2I31 I34 I45 E54 W55 I96I31-I50 HydrophobicContact CD1-CG1 4.15Å; I31-I50 HydrophobicContact CD1-CG2 4.08Å; I34-I50 HydrophobicContact CD1-CD1 3.82Å; I45-I50 HydrophobicContact CG2-CD1 3.45Å; I45-I50 VanDerWaalsContact CG2-CD1 3.45Å; I50-E54 HydrophobicContact CG2-CB 3.72Å; I50-W55 HydrophobicContact CB-CD2 4.48Å; I50-W55 HydrophobicContact CB-CZ2 3.91Å; I50-W55 HydrophobicContact CD1-CH2 3.93Å; I50-W55 HydrophobicContact CD1-CZ2 3.9Å; I50-W55 HydrophobicContact CD1-CZ3 4.4Å; I50-W55 HydrophobicContact CG1-CZ2 4.37Å; I50-W55 HydrophobicContact CG2-CD2 3.91Å; I50-W55 HydrophobicContact CG2-CG 3.95Å; I50-W55 HydrophobicContact CG2-CZ2 4.23Å; I50-W55 PolarHBondContact O-NE1 2.63Å; I50-I96 WeakPolarHBondContact O-CG2 3.41Å
51K87.8Confident89Confident138 Ų13838 Ų3860%0.619%0.187SC*.  trans-75.2160.1179.6-54.7-173.5-159.2105.10111.6Q53 E54 W55K51-Q53 VanDerWaalsContact C-N 3.28Å; K51-Q53 PolarHBondContact O-N 3.24Å; K51-Q53 VanDerWaalsContact O-N 3.12Å; K51-E54 HydrophobicContact CB-CG 4.15Å; K51-E54 WeakPolarHBondContact CB-OE2 3.47Å; K51-E54 WeakPolarHBondContact CD-OE1 3.34Å; K51-E54 WeakPolarHBondContact CG-OE2 3.47Å; K51-E54 PolarHBondContact N-OE2 3.32Å; K51-E54 IonicContact NZ-OE1 3.89Å; K51-E54 PolarHBondContact NZ-OE1 3.05Å; K51-E54 PolarHBondContact O-N 3.21Å; K51-W55 VanDerWaalsContact O-CD1 3.27Å
52T87.2Confident89.4Confident69 Ų6937.6 Ų37.642%0.42318%0.182SC..G310 helixtrans-44.4-48.7-179.3-360000113.7I96 L103T52-I96 HydrophobicContact CG2-CG1 4.2Å; T52-I96 WeakPolarHBondContact OG1-CD1 3.43Å; T52-I96 WeakPolarHBondContact OG1-CG1 3.27Å; T52-L103 HydrophobicContact CG2-CD1 4.01Å; T52-L103 HydrophobicContact CG2-CD2 4.42Å
53Q88.3Confident89.7Confident133 Ų13340.9 Ų40.962%0.62120%0.195SC*.G310 helixtrans-80.8-22.3-172.9-59.1169.9-21.200113F28 K51 W55F28-Q53 HydrophobicContact CE1-CB 4.3Å; F28-Q53 HydrophobicContact CE2-CB 4.24Å; F28-Q53 HydrophobicContact CZ-CB 3.58Å; K51-Q53 VanDerWaalsContact C-N 3.28Å; K51-Q53 PolarHBondContact O-N 3.24Å; K51-Q53 VanDerWaalsContact O-N 3.12Å; Q53-W55 VanDerWaalsContact C-N 3.28Å; Q53-W55 PolarHBondContact O-N 2.95Å
54E91.6Very high89.9Confident31 Ų3142.5 Ų42.515%0.14520%0.204CC..G310 helixtrans-76.7-17.5-179.6-65.6164.5-179.500111.8F28 I31 I50 K51 P57 V58F28-E54 HydrophobicContact CD1-CG 4.34Å; I31-E54 HydrophobicContact CD1-CB 4.06Å; I50-E54 HydrophobicContact CG2-CB 3.72Å; K51-E54 HydrophobicContact CB-CG 4.15Å; K51-E54 WeakPolarHBondContact CB-OE2 3.47Å; K51-E54 WeakPolarHBondContact CD-OE1 3.34Å; K51-E54 WeakPolarHBondContact CG-OE2 3.47Å; K51-E54 PolarHBondContact N-OE2 3.32Å; K51-E54 IonicContact NZ-OE1 3.89Å; K51-E54 PolarHBondContact NZ-OE1 3.05Å; K51-E54 PolarHBondContact O-N 3.21Å; E54-P57 WeakPolarHBondContact O-CD 3.46Å; E54-V58 WeakPolarHBondContact O-CG2 3.17Å
55W92.8Very high90.2Very high0 Ų041.8 Ų41.80%020%0.2CC..Hα-helixtrans-71.3-32.3176.1-81.1105.8000114.2I45 A47 I50 K51 Q53 V58 F59 V73 L97I45-W55 HydrophobicContact CG2-CH2 3.95Å; I45-W55 HydrophobicContact CG2-CZ3 4.36Å; A47-W55 HydrophobicContact CB-CH2 4.01Å; A47-W55 HydrophobicContact CB-CZ2 3.84Å; I50-W55 HydrophobicContact CB-CD2 4.48Å; I50-W55 HydrophobicContact CB-CZ2 3.91Å; I50-W55 HydrophobicContact CD1-CH2 3.93Å; I50-W55 HydrophobicContact CD1-CZ2 3.9Å; I50-W55 HydrophobicContact CD1-CZ3 4.4Å; I50-W55 HydrophobicContact CG1-CZ2 4.37Å; I50-W55 HydrophobicContact CG2-CD2 3.91Å; I50-W55 HydrophobicContact CG2-CG 3.95Å; I50-W55 HydrophobicContact CG2-CZ2 4.23Å; I50-W55 PolarHBondContact O-NE1 2.63Å; K51-W55 VanDerWaalsContact O-CD1 3.27Å; Q53-W55 VanDerWaalsContact C-N 3.28Å; Q53-W55 PolarHBondContact O-N 2.95Å; W55-V58 HydrophobicContact CE3-CB 4.38Å; W55-V58 HydrophobicContact CE3-CG1 4.39Å; W55-V58 HydrophobicContact CZ3-CG1 4.41Å; W55-V58 WeakPolarHBondContact O-CA 3.31Å; W55-V58 VanDerWaalsContact O-CB 3.3Å; W55-V58 WeakPolarHBondContact O-CB 3.48Å; W55-V58 PolarHBondContact O-N 2.85Å; W55-F59 HydrophobicContact CB-CD2 4.33Å; W55-F59 HydrophobicContact CB-CE1 4.25Å; W55-F59 HydrophobicContact CB-CE2 3.78Å; W55-F59 HydrophobicContact CB-CZ 3.73Å; W55-F59 HydrophobicContact CD2-CE1 4.16Å; W55-F59 HydrophobicContact CD2-CZ 4.1Å; W55-F59 HydrophobicContact CE3-CD1 4.25Å; W55-F59 AromaticContact CE3-CE1 3.46Å; W55-F59 HydrophobicContact CE3-CE1 3.46Å; W55-F59 VanDerWaalsContact CE3-CE1 3.46Å; W55-F59 AromaticContact CE3-CZ 3.87Å; W55-F59 HydrophobicContact CE3-CZ 3.87Å; W55-F59 HydrophobicContact CG-CZ 4.08Å; W55-F59 HydrophobicContact CZ3-CE1 4.17Å; W55-F59 VanDerWaalsContact O-CG 3.26Å; W55-F59 WeakPolarHBondContact O-CG 3.45Å; W55-F59 PolarHBondContact O-N 3.12Å; W55-V73 HydrophobicContact CH2-CG1 4.15Å; W55-L97 HydrophobicContact CH2-CD2 3.83Å; W55-L97 HydrophobicContact CZ2-CB 4.06Å; W55-L97 HydrophobicContact CZ2-CD1 4.33Å; W55-L97 HydrophobicContact CZ2-CD2 3.82Å; W55-L97 HydrophobicContact CZ2-CG 4.28Å
56D92.9Very high90.4Very high56 Ų5644.5 Ų44.530%0.29921%0.212SC..Hα-helixtrans-59.4-48.9-177.5-89.411.3000113.6R26 V58 F59 D60R26-D56 IonicContact CZ-OD2 3.41Å; R26-D56 IonicContact NH1-OD2 3.14Å; R26-D56 PolarHBondContact NH1-OD2 3.44Å; R26-D56 IonicContact NH2-OD2 2.84Å; D56-V58 PolarHBondContact O-N 3.45Å; D56-F59 PolarHBondContact O-N 3.5Å; D56-D60 PolarHBondContact O-N 2.91Å
57P93.1Very high90.7Very high0 Ų043.6 Ų43.60%021%0.205CC..Hα-helixtrans-53.8-37.8171.1-19.822.6000113.4Y19 L22 F28 E54 A61Y19-P57 HydrophobicContact CD2-CB 4.14Å; Y19-P57 HydrophobicContact CE2-CB 3.92Å; L22-P57 HydrophobicContact CB-CB 4.05Å; F28-P57 HydrophobicContact CD2-CG 4.13Å; E54-P57 WeakPolarHBondContact O-CD 3.46Å; P57-A61 VanDerWaalsContact O-CB 3.26Å; P57-A61 WeakPolarHBondContact O-CB 3.46Å; P57-A61 PolarHBondContact O-N 2.8Å
58V94.3Very high91.1Very high0 Ų043.6 Ų43.60%021%0.205CC..Hα-helixtrans-67.4-45.9179.1-176.20000110.3Y19 I34 I45 E54 W55 D56 A61 I62Y19-V58 HydrophobicContact CD2-CG2 4.47Å; Y19-V58 HydrophobicContact CE2-CG2 3.67Å; I34-V58 HydrophobicContact CD1-CG2 3.48Å; I34-V58 VanDerWaalsContact CD1-CG2 3.48Å; I45-V58 HydrophobicContact CD1-CG1 3.69Å; E54-V58 WeakPolarHBondContact O-CG2 3.17Å; W55-V58 HydrophobicContact CE3-CB 4.38Å; W55-V58 HydrophobicContact CE3-CG1 4.39Å; W55-V58 HydrophobicContact CZ3-CG1 4.41Å; W55-V58 WeakPolarHBondContact O-CA 3.31Å; W55-V58 VanDerWaalsContact O-CB 3.3Å; W55-V58 WeakPolarHBondContact O-CB 3.48Å; W55-V58 PolarHBondContact O-N 2.85Å; D56-V58 PolarHBondContact O-N 3.45Å; V58-A61 PolarHBondContact O-N 3.06Å; V58-I62 HydrophobicContact CG1-CD1 3.76Å; V58-I62 HydrophobicContact CG1-CG1 4.4Å; V58-I62 WeakPolarHBondContact O-CB 3.35Å; V58-I62 VanDerWaalsContact O-CG1 3.29Å; V58-I62 WeakPolarHBondContact O-CG1 3.22Å; V58-I62 PolarHBondContact O-N 3.46Å
59F94.8Very high91.5Very high8 Ų843 Ų434%0.03520%0.201CC..Hα-helixtrans-63.3-43.7178.2-64.2-20.2000112.4W55 D56 K63 L103 N106 L107 S110W55-F59 HydrophobicContact CB-CD2 4.33Å; W55-F59 HydrophobicContact CB-CE1 4.25Å; W55-F59 HydrophobicContact CB-CE2 3.78Å; W55-F59 HydrophobicContact CB-CZ 3.73Å; W55-F59 HydrophobicContact CD2-CE1 4.16Å; W55-F59 HydrophobicContact CD2-CZ 4.1Å; W55-F59 HydrophobicContact CE3-CD1 4.25Å; W55-F59 AromaticContact CE3-CE1 3.46Å; W55-F59 HydrophobicContact CE3-CE1 3.46Å; W55-F59 VanDerWaalsContact CE3-CE1 3.46Å; W55-F59 AromaticContact CE3-CZ 3.87Å; W55-F59 HydrophobicContact CE3-CZ 3.87Å; W55-F59 HydrophobicContact CG-CZ 4.08Å; W55-F59 HydrophobicContact CZ3-CE1 4.17Å; W55-F59 VanDerWaalsContact O-CG 3.26Å; W55-F59 WeakPolarHBondContact O-CG 3.45Å; W55-F59 PolarHBondContact O-N 3.12Å; D56-F59 PolarHBondContact O-N 3.5Å; F59-K63 WeakPolarHBondContact O-CB 3.29Å; F59-K63 PolarHBondContact O-N 3.46Å; F59-L103 HydrophobicContact CE2-CD2 4.13Å; F59-L103 WeakPolarHBondContact CZ-O 3.43Å; F59-N106 HydrophobicContact CD2-CB 3.9Å; F59-N106 HydrophobicContact CE2-CB 3.7Å; F59-N106 HydrophobicContact CZ-CB 4.39Å; F59-L107 HydrophobicContact CD1-CB 4.33Å; F59-L107 HydrophobicContact CD1-CD1 4.21Å; F59-L107 HydrophobicContact CE1-CB 3.58Å; F59-L107 HydrophobicContact CE1-CD1 3.9Å; F59-L107 HydrophobicContact CE1-CG 4.29Å; F59-L107 HydrophobicContact CZ-CB 4.03Å; F59-S110 WeakPolarHBondContact CB-OG 3.18Å; F59-S110 WeakPolarHBondContact O-CB 3.37Å; F59-S110 PolarHBondContact O-OG 2.74Å
60D93.7Very high91.9Very high49 Ų4935.2 Ų35.226%0.26217%0.172SC..Hα-helixtrans-66.6-35.9177.3-80.8-30.2000112L22 R26 D56L22-D60 HydrophobicContact CD1-CB 3.6Å; L22-D60 HydrophobicContact CD2-CB 4.35Å; R26-D60 IonicContact CZ-OD2 3.68Å; R26-D60 IonicContact NH2-OD2 2.86Å; R26-D60 PolarHBondContact NH2-OD2 3.44Å; D56-D60 PolarHBondContact O-N 2.91Å
61A94.2Very high92.2Very high1 Ų134.7 Ų34.71%0.00817%0.169CC..Hα-helixtrans-72.1-44.8176.500000112.9F15 Y18 Y19 L22 P57 V58 N65F15-A61 HydrophobicContact CD2-CB 4.07Å; F15-A61 HydrophobicContact CE2-CB 3.55Å; F15-A61 HydrophobicContact CZ-CB 3.93Å; Y18-A61 HydrophobicContact CD1-CB 4.17Å; Y19-A61 HydrophobicContact CD2-CB 4.39Å; L22-A61 HydrophobicContact CD1-CB 4.11Å; P57-A61 VanDerWaalsContact O-CB 3.26Å; P57-A61 WeakPolarHBondContact O-CB 3.46Å; P57-A61 PolarHBondContact O-N 2.8Å; V58-A61 PolarHBondContact O-N 3.06Å; A61-N65 PolarHBondContact O-N 3.28Å
62I94.9Very high92.3Very high0 Ų028.1 Ų28.10%014%0.141CC..Hα-helixtrans-61.4-46.1176.5-71.9172.5000110.3F15 L43 V58 I64 N65 L107 L111 C114F15-I62 HydrophobicContact CE2-CG1 3.99Å; F15-I62 HydrophobicContact CZ-CG1 4.38Å; L43-I62 HydrophobicContact CD2-CD1 3.9Å; L43-I62 HydrophobicContact CD2-CG1 3.76Å; V58-I62 HydrophobicContact CG1-CD1 3.76Å; V58-I62 HydrophobicContact CG1-CG1 4.4Å; V58-I62 WeakPolarHBondContact O-CB 3.35Å; V58-I62 VanDerWaalsContact O-CG1 3.29Å; V58-I62 WeakPolarHBondContact O-CG1 3.22Å; V58-I62 PolarHBondContact O-N 3.46Å; I62-I64 VanDerWaalsContact C-N 3.25Å; I62-I64 PolarHBondContact O-N 2.93Å; I62-I64 VanDerWaalsContact O-N 3.12Å; I62-N65 WeakPolarHBondContact O-CB 3.46Å; I62-N65 PolarHBondContact O-N 3.14Å; I62-L107 HydrophobicContact CD1-CD1 4.46Å; I62-L111 HydrophobicContact CG2-CD2 3.98Å; I62-C114 HydrophobicContact CG2-CB 3.97Å; I62-C114 VanDerWaalsContact O-CB 3.31Å; I62-C114 WeakPolarHBondContact O-CB 3.46Å
63K94.6Very high92.5Very high82 Ų8224.8 Ų24.836%0.35712%0.12SC..Hα-helixtrans-52.8-35.2-173.9165.3174177.5174.40115.3F59 Q113F59-K63 WeakPolarHBondContact O-CB 3.29Å; F59-K63 PolarHBondContact O-N 3.46Å; K63-Q113 HydrophobicContact CG-CB 4.03Å; K63-Q113 VanDerWaalsContact CG-OE1 3.28Å
64I92.7Very high92.4Very high35 Ų3518.6 Ų18.618%0.1799%0.091CC..THydrogen-bonded Turntrans-107.94.8-178.271.2166.4000113.3R8 A12 Y18 I62R8-I64 HydrophobicContact CB-CD1 3.99Å; R8-I64 HydrophobicContact CG-CD1 4.25Å; R8-I64 WeakPolarHBondContact O-CD1 3.47Å; A12-I64 WeakPolarHBondContact CA-O 3.43Å; A12-I64 WeakPolarHBondContact CB-O 3.5Å; Y18-I64 HydrophobicContact CD1-CD1 3.84Å; Y18-I64 HydrophobicContact CD1-CG1 4.14Å; Y18-I64 HydrophobicContact CD2-CD1 4.47Å; Y18-I64 HydrophobicContact CE1-CD1 3.31Å; Y18-I64 HydrophobicContact CE1-CG1 3.72Å; Y18-I64 HydrophobicContact CE2-CD1 4.03Å; Y18-I64 HydrophobicContact CG-CD1 4.4Å; Y18-I64 VanDerWaalsContact CZ-CD1 3.44Å; I62-I64 VanDerWaalsContact C-N 3.25Å; I62-I64 PolarHBondContact O-N 2.93Å; I62-I64 VanDerWaalsContact O-N 3.12Å
65N92.2Very high92.1Very high0 Ų017.1 Ų17.10%08%0.084CC..  trans-60.2149.7-173.6-173.5-103.7000112.2A12 F15 A61 I62 S67 L68 T118A12-N65 CarbonylContact O-C 3.24Å; F15-N65 HydrophobicContact CD2-CB 4.42Å; A61-N65 PolarHBondContact O-N 3.28Å; I62-N65 WeakPolarHBondContact O-CB 3.46Å; I62-N65 PolarHBondContact O-N 3.14Å; N65-S67 PolarHBondContact ND2-N 2.89Å; N65-S67 PolarHBondContact ND2-OG 3.16Å; N65-S67 PolarHBondContact OD1-N 3.06Å; N65-S67 VanDerWaalsContact OD1-N 3.13Å; N65-L68 VanDerWaalsContact OD1-CB 3.3Å; N65-L68 WeakPolarHBondContact OD1-CB 3.37Å; N65-L68 WeakPolarHBondContact OD1-CG 3.48Å; N65-L68 PolarHBondContact OD1-N 3.13Å; N65-T118 PolarHBondContact O-OG1 3.37Å
66K92.1Very high91.4Very high57 Ų5720.4 Ų20.425%0.24810%0.099CC..  trans-1422.5169.5-65.4-172.3172.1-164.70112.7A12 Y13 V117 K120A12-K66 HydrophobicContact CB-CD 4.32Å; A12-K66 HydrophobicContact CB-CG 4.27Å; A12-K66 WeakPolarHBondContact O-CA 3.38Å; A12-K66 WeakPolarHBondContact O-CB 3.09Å; A12-K66 PolarHBondContact O-N 3.1Å; Y13-K66 HydrophobicContact CD1-CB 4Å; Y13-K66 HydrophobicContact CD1-CD 4.47Å; Y13-K66 HydrophobicContact CE1-CB 3.93Å; Y13-K66 HydrophobicContact CE1-CD 3.73Å; Y13-K66 HydrophobicContact CE2-CD 4.25Å; Y13-K66 PolarHBondContact OH-NZ 3.43Å; K66-V117 HydrophobicContact CD-CG1 4.34Å; K66-V117 HydrophobicContact CG-CG1 4.03Å; K66-K120 WeakPolarHBondContact O-CD 3.14Å
67S91.3Very high90.4Very high24 Ų2420.2 Ų20.217%0.1689%0.094CC..SBendtrans-100-32.9-170.771.30000113.6Y13 N65Y13-S67 VanDerWaalsContact O-CB 3.31Å; Y13-S67 WeakPolarHBondContact O-CB 3.25Å; N65-S67 PolarHBondContact ND2-N 2.89Å; N65-S67 PolarHBondContact ND2-OG 3.16Å; N65-S67 PolarHBondContact OD1-N 3.06Å; N65-S67 VanDerWaalsContact OD1-N 3.13Å
68L92.3Very high88.8Confident0 Ų024.3 Ų24.30%011%0.113CC..  trans-82140.8-173.4-58.7168000110.6F15 V38 G41 L43 N65 I71F15-L68 HydrophobicContact CB-CG 4.46Å; F15-L68 HydrophobicContact CD2-CD1 3.73Å; F15-L68 HydrophobicContact CE2-CD1 4Å; F15-L68 HydrophobicContact CG-CD1 4.02Å; F15-L68 HydrophobicContact CG-CG 4.46Å; V38-L68 HydrophobicContact CG1-CD2 4.38Å; G41-L68 CarbonylContact O-C 3.58Å; G41-L68 WeakPolarHBondContact O-CA 3.31Å; L43-L68 HydrophobicContact CB-CD1 3.7Å; L43-L68 HydrophobicContact CB-CD2 4.25Å; L43-L68 HydrophobicContact CD2-CD1 3.82Å; L43-L68 HydrophobicContact CG-CD1 4.4Å; N65-L68 VanDerWaalsContact OD1-CB 3.3Å; N65-L68 WeakPolarHBondContact OD1-CB 3.37Å; N65-L68 WeakPolarHBondContact OD1-CG 3.48Å; N65-L68 PolarHBondContact OD1-N 3.13Å; L68-I71 HydrophobicContact CB-CG1 4.31Å; L68-I71 HydrophobicContact CD1-CD1 4.26Å; L68-I71 HydrophobicContact CD1-CG1 4.13Å
69H91.5Very high86.8Confident36 Ų3633.6 Ų33.617%0.16715%0.15CC..SBendtrans-102.5-22.5169.962.474.3000112.5N40 G41 V42 K120 T122 F123 M378N40-H69 PolarHBondContact O-NE2 3.26Å; G41-H69 PolarHBondContact O-CD2 2.87Å; G41-H69 PolarHBondContact O-N 2.87Å; G41-H69 PolarHBondContact O-NE2 3.4Å; V42-H69 VanDerWaalsContact CG2-CE1 3.47Å; V42-H69 WeakPolarHBondContact CG2-CE1 3.31Å; H69-K120 WeakPolarHBondContact CA-O 3.25Å; H69-K120 WeakPolarHBondContact CB-O 3.43Å; H69-T122 PolarHBondContact O-N 3.47Å; H69-T122 PolarHBondContact O-OG1 2.95Å; H69-F123 PolarHBondContact O-N 2.98Å; H69-M378 WeakPolarHBondContact CE1-CE 3.3Å
70F90.7Very high84.5Confident9 Ų939 Ų394%0.03918%0.179CC..EExtended strand (participates in β ladder)trans-127.3127.6-178.5-175-70.4000110.3G41 V42 L43 A72 F123 L375G41-F70 PolarHBondContact O-N 2.87Å; V42-F70 HydrophobicContact CB-CB 4.36Å; V42-F70 HydrophobicContact CG1-CB 4.06Å; V42-F70 HydrophobicContact CG1-CD1 3.52Å; V42-F70 HydrophobicContact CG1-CE1 4.13Å; V42-F70 HydrophobicContact CG1-CG 3.94Å; V42-F70 HydrophobicContact CG2-CB 4.07Å; L43-F70 PolarHBondContact N-O 3.42Å; F70-A72 HydrophobicContact CD1-CB 4.37Å; F70-A72 HydrophobicContact CE1-CB 3.54Å; F70-A72 HydrophobicContact CZ-CB 4.24Å; F70-F123 HydrophobicContact CB-CB 4.34Å; F70-F123 HydrophobicContact CD1-CD1 4.36Å; F70-F123 HydrophobicContact CD2-CB 3.61Å; F70-F123 AromaticContact CD2-CD1 3.38Å; F70-F123 HydrophobicContact CD2-CD1 3.38Å; F70-F123 HydrophobicContact CD2-CD2 4.18Å; F70-F123 HydrophobicContact CD2-CE1 4.05Å; F70-F123 AromaticContact CD2-CG 3.46Å; F70-F123 HydrophobicContact CD2-CG 3.46Å; F70-F123 VanDerWaalsContact CD2-CG 3.46Å; F70-F123 HydrophobicContact CE1-CD1 4.2Å; F70-F123 HydrophobicContact CE1-CE1 4.36Å; F70-F123 HydrophobicContact CE2-CB 4.22Å; F70-F123 AromaticContact CE2-CD1 3.14Å; F70-F123 HydrophobicContact CE2-CD1 3.14Å; F70-F123 HydrophobicContact CE2-CD2 4.02Å; F70-F123 AromaticContact CE2-CE1 3.3Å; F70-F123 HydrophobicContact CE2-CE1 3.3Å; F70-F123 HydrophobicContact CE2-CE2 4.22Å; F70-F123 AromaticContact CE2-CG 3.54Å; F70-F123 HydrophobicContact CE2-CG 3.54Å; F70-F123 AromaticContact CE2-CZ 3.88Å; F70-F123 HydrophobicContact CE2-CZ 3.88Å; F70-F123 HydrophobicContact CG-CB 4.13Å; F70-F123 HydrophobicContact CG-CD1 4Å; F70-F123 HydrophobicContact CG-CG 4.29Å; F70-F123 AromaticContact CZ-CD1 3.59Å; F70-F123 HydrophobicContact CZ-CD1 3.59Å; F70-F123 AromaticContact CZ-CE1 3.48Å; F70-F123 HydrophobicContact CZ-CE1 3.48Å; F70-F123 VanDerWaalsContact CZ-CE1 3.48Å; F70-F123 HydrophobicContact CZ-CG 4.42Å; F70-F123 HydrophobicContact CZ-CZ 4.29Å; F70-L375 HydrophobicContact CE2-CD2 4.47Å
71I92.9Very high82.1Confident0 Ų039.8 Ų39.80%020%0.198CC..EExtended strand (participates in β ladder)trans-129.4120.4171.5-60.8176.3000109.1L43 L68 L111 L121 F123 L124 E125L43-I71 HydrophobicContact CB-CG1 4.4Å; L43-I71 HydrophobicContact CD2-CG2 4.36Å; L43-I71 CarbonylContact O-C 3.59Å; L43-I71 WeakPolarHBondContact O-CA 2.98Å; L68-I71 HydrophobicContact CB-CG1 4.31Å; L68-I71 HydrophobicContact CD1-CD1 4.26Å; L68-I71 HydrophobicContact CD1-CG1 4.13Å; I71-L111 HydrophobicContact CG2-CD2 3.92Å; I71-L121 HydrophobicContact CB-CD1 4.25Å; I71-L121 HydrophobicContact CD1-CD1 3.76Å; I71-L121 HydrophobicContact CG1-CD1 3.74Å; I71-F123 PolarHBondContact N-O 3.17Å; I71-L124 HydrophobicContact CB-CD1 4.33Å; I71-L124 HydrophobicContact CG2-CD1 4.34Å; I71-L124 WeakPolarHBondContact O-CA 3.29Å; I71-E125 PolarHBondContact O-N 3.4Å
72A90.3Very high79.3Confident0 Ų044.4 Ų44.40%023%0.226CC..EExtended strand (participates in β ladder)trans-124.1136169.800000111.6L43 I45 F70 R74 E125L43-A72 PolarHBondContact O-N 2.9Å; I45-A72 PolarHBondContact N-O 2.93Å; F70-A72 HydrophobicContact CD1-CB 4.37Å; F70-A72 HydrophobicContact CE1-CB 3.54Å; F70-A72 HydrophobicContact CZ-CB 4.24Å; A72-R74 HydrophobicContact CB-CG 4.49Å; A72-E125 CarbonylContact C-O 3.35Å; A72-E125 VanDerWaalsContact CA-O 3.26Å; A72-E125 WeakPolarHBondContact CA-O 3.44Å; A72-E125 HydrophobicContact CB-CB 3.92Å; A72-E125 HydrophobicContact CB-CG 4.24Å
73V91Very high76.3Confident0 Ų049.3 Ų49.30%026%0.26CS..EExtended strand (participates in β ladder)trans-127.3117.6169.7-172.80000108.2I45 A47 W55 L97 L107 E125 L126 Q127 L129I45-V73 HydrophobicContact CB-CG1 4.49Å; I45-V73 HydrophobicContact CB-CG2 4.41Å; I45-V73 HydrophobicContact CD1-CG2 4.37Å; A47-V73 HydrophobicContact CB-CG1 4.32Å; W55-V73 HydrophobicContact CH2-CG1 4.15Å; V73-L97 HydrophobicContact CG1-CD2 4.13Å; V73-L107 HydrophobicContact CB-CD2 4.32Å; V73-L107 HydrophobicContact CG1-CD2 3.98Å; V73-L107 HydrophobicContact CG2-CD1 4.27Å; V73-L107 HydrophobicContact CG2-CD2 4.32Å; V73-E125 PolarHBondContact N-O 3.15Å; V73-L126 HydrophobicContact CB-CD2 4.02Å; V73-L126 HydrophobicContact CG2-CD2 4.32Å; V73-L126 WeakPolarHBondContact O-CA 3.26Å; V73-Q127 PolarHBondContact O-N 3.16Å; V73-L129 HydrophobicContact CB-CD1 4.37Å; V73-L129 HydrophobicContact CG1-CD1 4.2Å
74R87.2Confident73.4Confident2 Ų250.4 Ų50.41%0.00827%0.27CS..EExtended strand (participates in β ladder)trans-128.4136.2-170.5-53.3-178.3-175.91174110.7D44 I45 S46 A47 A72 F76 E125 Q127 C547 R551D44-R74 IonicContact OD1-CZ 2.97Å; D44-R74 IonicContact OD1-NH1 2.67Å; D44-R74 PolarHBondContact OD1-NH1 3.25Å; D44-R74 IonicContact OD2-CZ 2.81Å; D44-R74 IonicContact OD2-NH1 2.75Å; D44-R74 PolarHBondContact OD2-NH1 2.87Å; D44-R74 IonicContact OD2-NH2 2.98Å; I45-R74 PolarHBondContact O-N 2.88Å; S46-R74 CarbonylContact C-O 3.36Å; S46-R74 WeakPolarHBondContact CA-O 3.47Å; A47-R74 PolarHBondContact N-O 2.88Å; A72-R74 HydrophobicContact CB-CG 4.49Å; R74-F76 HydrophobicContact CB-CE2 4.18Å; R74-F76 HydrophobicContact CB-CZ 4.03Å; R74-E125 IonicContact CZ-OE1 3.77Å; R74-E125 IonicContact CZ-OE2 3.51Å; R74-E125 IonicContact NE-OE1 2.96Å; R74-E125 PolarHBondContact NE-OE1 3.21Å; R74-E125 IonicContact NE-OE2 2.82Å; R74-E125 PolarHBondContact NE-OE2 3.33Å; R74-E125 IonicContact NH2-OE1 3.99Å; R74-E125 PolarHBondContact NH2-OE1 3.39Å; R74-E125 IonicContact NH2-OE2 3.46Å; R74-E125 PolarHBondContact NH2-OE2 2.86Å; R74-Q127 HydrophobicContact CB-CB 3.97Å; R74-Q127 VanDerWaalsContact CD-OE1 3.24Å; R74-Q127 HydrophobicContact CG-CB 3.76Å; R74-C547 PolarHBondContact NH1-SG 3.3Å; R74-C547 VanDerWaalsContact NH1-SG 3.36Å; R74-R551 VanDerWaalsContact CZ-NH1 3.34Å
75S85.2Confident70.4Confident0 Ų054.2 Ų54.20%030%0.295CS..  trans-106144.2163.2-177.80000110.6D48 Y77 Q127 N128D48-S75 WeakPolarHBondContact OD1-CA 3.44Å; D48-S75 WeakPolarHBondContact OD1-CB 3.47Å; D48-S75 PolarHBondContact OD1-OG 3.42Å; S75-Y77 PolarHBondContact OG-N 2.84Å; S75-Q127 PolarHBondContact N-O 2.84Å; S75-N128 WeakPolarHBondContact O-CB 3.44Å; S75-N128 PolarHBondContact O-ND2 3.46Å
76F77Confident67.7Low69 Ų6960 Ų6030%0.30333%0.331SS..  trans-117.234.5173.3-54.9-77.4000110.8D48 R74 C364D48-F76 PolarHBondContact OD1-N 2.93Å; D48-F76 WeakPolarHBondContact OD2-CB 3.38Å; D48-F76 WeakPolarHBondContact OD2-CD2 3.5Å; D48-F76 PolarHBondContact OD2-N 3.41Å; R74-F76 HydrophobicContact CB-CE2 4.18Å; R74-F76 HydrophobicContact CB-CZ 4.03Å; F76-C364 HydrophobicContact CB-CB 4.12Å; F76-C364 CarbonylContact O-C 3Å; F76-C364 WeakPolarHBondContact O-CB 3.4Å
77Y72.6Confident64.9Low52 Ų5263.8 Ų63.820%0.20436%0.358CS..  trans-90.5129.5176.3-177.5-98.7000111.8S75 Y79 R92 P94 P95 L98 C364S75-Y77 PolarHBondContact OG-N 2.84Å; Y77-Y79 PolarHBondContact O-N 3.3Å; Y77-R92 HydrophobicContact CE2-CB 4.4Å; Y77-R92 WeakPolarHBondContact CE2-O 3.44Å; Y77-R92 PolarHBondContact OH-O 3.4Å; Y77-P94 HydrophobicContact CD1-CB 4.31Å; Y77-P94 HydrophobicContact CE1-CB 3.79Å; Y77-P94 HydrophobicContact CE2-CB 4.35Å; Y77-P95 HydrophobicContact CD2-CG 4.39Å; Y77-P95 VanDerWaalsContact CG-CD 3.42Å; Y77-P95 HydrophobicContact CG-CG 4.22Å; Y77-L98 HydrophobicContact CD1-CD1 3.99Å; Y77-L98 HydrophobicContact CG-CD1 4.27Å; Y77-C364 CarbonylContact C-O 3.28Å
78Q59Low62.4Low86 Ų8666.6 Ų66.640%0.40238%0.378SS..  trans-75.6102.7174.7-109.9150.322.300109.9N80 L363 C364Q78-N80 VanDerWaalsContact C-N 3.35Å; Q78-N80 PolarHBondContact O-N 2.71Å; Q78-L363 PolarHBondContact NE2-O 2.86Å; Q78-C364 WeakPolarHBondContact CA-O 3.48Å; Q78-C364 WeakPolarHBondContact CB-O 3.37Å; Q78-C364 WeakPolarHBondContact CG-O 3.11Å; Q78-C364 PolarHBondContact N-O 3.14Å
79Y53.5Low60.2Low195 Ų19573.5 Ų73.577%0.76542%0.42SS*.  trans-83.382.9166.2-164.1-88.3000109.2Y77 G81Y77-Y79 PolarHBondContact O-N 3.3Å; Y79-G81 VanDerWaalsContact C-N 3.31Å; Y79-G81 PolarHBondContact O-N 3.38Å
80N45.6Very low57.9Low123 Ų12378.3 Ų78.366%0.65845%0.448SS*.  trans-70.391.3170.9-73.418000108.7Q78 V82Q78-N80 VanDerWaalsContact C-N 3.35Å; Q78-N80 PolarHBondContact O-N 2.71Å; N80-V82 PolarHBondContact O-N 3.29Å
81G42.4Very low56.1Low64 Ų6486.3 Ų86.366%0.6648%0.477SS*.  trans-73.41.7-179.600000115.2Y79Y79-G81 VanDerWaalsContact C-N 3.31Å; Y79-G81 PolarHBondContact O-N 3.38Å
82V36.6Very low54.7Low99 Ų9996.4 Ų96.460%0.652%0.515SS*.SBendtrans-88.9126.2173.2-172.50000108.7N80 D84N80-V82 PolarHBondContact O-N 3.29Å; V82-D84 WeakPolarHBondContact CG1-OD1 3.33Å; V82-D84 PolarHBondContact O-N 3.34Å
83S31.3Very low53.7Low102 Ų102107.5 Ų107.571%0.71356%0.557SS**  trans-75.764.5174.4-178.30000110.9T85S83-T85 PolarHBondContact O-N 3.08Å
84D33.2Very low52.9Low106 Ų106110.3 Ų110.357%0.56758%0.576SS**  trans-66.691.4167.1-71.5-19.6000108.4V82 R91V82-D84 WeakPolarHBondContact CG1-OD1 3.33Å; V82-D84 PolarHBondContact O-N 3.34Å; D84-R91 PolarHBondContact O-NH2 3Å
85T31.5Very low52.6Low114 Ų114110.8 Ų110.870%0.69958%0.579SS**  trans-58.114615647.50000108.9S83S83-T85 PolarHBondContact O-N 3.08Å
86V34.9Very low52.3Low123 Ų123113.5 Ų113.575%0.74559%0.593SS**SBendtrans81.9113.4177.1-162.10000115.2
87T34Very low52.6Low135 Ų135110.2 Ų110.283%0.82858%0.578SS**  trans59.777.7159.454.40000120.5
88S37.8Very low53Low83 Ų83109.4 Ų109.458%0.5858%0.578SS**  trans-152107.3144.4-177.30000111.8N90S88-N90 PolarHBondContact O-N 3.38Å
89T45.3Very low54.1Low145 Ų145108.8 Ų108.889%0.8958%0.582SS**THydrogen-bonded Turntrans-79.99-175.147.80000114.4
90N44.1Very low55.7Low138 Ų138101.2 Ų101.274%0.73856%0.558SS**THydrogen-bonded Turntrans-118.428.8-174.7-88.7-50.7000114.2S88 R92S88-N90 PolarHBondContact O-N 3.38Å; N90-R92 PolarHBondContact O-N 3.45Å
91R53.4Low57.7Low177 Ų17799.1 Ų99.167%0.66855%0.553SS**  trans-65.697.5170.8-66.6-168.2-175.9-164.22.7110.1D84D84-R91 PolarHBondContact O-NH2 3Å
92R62.3Low60.1Low211 Ų211103.6 Ų103.680%0.79655%0.554SS**PPolyproline II helixtrans-56.7139.7168.7-73.3-176.9173.8164.70.7108.7Y77 N90Y77-R92 HydrophobicContact CE2-CB 4.4Å; Y77-R92 WeakPolarHBondContact CE2-O 3.44Å; Y77-R92 PolarHBondContact OH-O 3.4Å; N90-R92 PolarHBondContact O-N 3.45Å
93R68.9Low62.7Low234 Ų23499.5 Ų99.588%0.88353%0.529SS*.PPolyproline II helixtrans-63.6141.1174.1-66.3-177.7-179.7178.4-0.7109.5
94P76Confident65.6Low59 Ų5995 Ų9538%0.38350%0.497SS..PPolyproline II helixtrans-58.7145.3174.822.4-31.8000111Y77 S99Y77-P94 HydrophobicContact CD1-CB 4.31Å; Y77-P94 HydrophobicContact CE1-CB 3.79Å; Y77-P94 HydrophobicContact CE2-CB 4.35Å; P94-S99 WeakPolarHBondContact CG-OG 3.22Å; P94-S99 PolarHBondContact O-OG 3.01Å
95P79.3Confident68.5Low11 Ų1191.6 Ų91.67%0.07148%0.479CS..PPolyproline II helixtrans-52147.4172.7-26.431.7000112.2D48 Y77 L97 L98 S99D48-P95 HydrophobicContact CB-CG 4.11Å; D48-P95 WeakPolarHBondContact OD1-CG 3.43Å; Y77-P95 HydrophobicContact CD2-CG 4.39Å; Y77-P95 VanDerWaalsContact CG-CD 3.42Å; Y77-P95 HydrophobicContact CG-CG 4.22Å; P95-L97 PolarHBondContact O-N 3.16Å; P95-L98 HydrophobicContact CB-CG 4.18Å; P95-L98 HydrophobicContact CG-CD1 4.25Å; P95-L98 HydrophobicContact CG-CG 4.24Å; P95-L98 PolarHBondContact O-N 3.08Å; P95-L98 VanDerWaalsContact O-N 3.1Å; P95-S99 PolarHBondContact O-N 3.02Å; P95-S99 PolarHBondContact O-OG 3.32Å
96I80.3Confident71.6Confident58 Ų5888.5 Ų88.530%0.29746%0.458SS..Hα-helixtrans-58.8-34.4-179.1-164.581.2000112.2I50 T52 S99 S100 L103I50-I96 WeakPolarHBondContact O-CG2 3.41Å; T52-I96 HydrophobicContact CG2-CG1 4.2Å; T52-I96 WeakPolarHBondContact OG1-CD1 3.43Å; T52-I96 WeakPolarHBondContact OG1-CG1 3.27Å; I96-S99 PolarHBondContact O-N 3.3Å; I96-S100 VanDerWaalsContact O-CB 3.26Å; I96-S100 WeakPolarHBondContact O-CB 3.46Å; I96-S100 PolarHBondContact O-N 2.95Å; I96-L103 HydrophobicContact CB-CD1 4.45Å; I96-L103 HydrophobicContact CG1-CD1 3.75Å; I96-L103 HydrophobicContact CG2-CD1 4.08Å
97L82.7Confident74.5Confident0 Ų082.6 Ų82.60%042%0.422CS..Hα-helixtrans-66.9-38.4178.7-172.970.6000112.1A47 W55 V73 P95 L103 L104 L107 L129A47-L97 HydrophobicContact CB-CB 4.4Å; A47-L97 HydrophobicContact CB-CD2 3.61Å; W55-L97 HydrophobicContact CH2-CD2 3.83Å; W55-L97 HydrophobicContact CZ2-CB 4.06Å; W55-L97 HydrophobicContact CZ2-CD1 4.33Å; W55-L97 HydrophobicContact CZ2-CD2 3.82Å; W55-L97 HydrophobicContact CZ2-CG 4.28Å; V73-L97 HydrophobicContact CG1-CD2 4.13Å; P95-L97 PolarHBondContact O-N 3.16Å; L97-L103 HydrophobicContact CD1-CB 4.08Å; L97-L104 HydrophobicContact CD1-CB 4.48Å; L97-L104 HydrophobicContact CD1-CD1 4.35Å; L97-L104 HydrophobicContact CG-CD1 4.3Å; L97-L107 HydrophobicContact CD1-CD2 4.44Å; L97-L107 HydrophobicContact CD2-CD2 4.13Å; L97-L129 HydrophobicContact CD2-CD1 4.47Å; L97-L129 HydrophobicContact CD2-CD2 3.83Å
98L81.5Confident77.4Confident35 Ų3576.2 Ų76.218%0.18338%0.383CS..Hα-helixtrans-73.8-33.6175.6-53.2-166.2000111.5Y77 P95 N128 L129Y77-L98 HydrophobicContact CD1-CD1 3.99Å; Y77-L98 HydrophobicContact CG-CD1 4.27Å; P95-L98 HydrophobicContact CB-CG 4.18Å; P95-L98 HydrophobicContact CG-CD1 4.25Å; P95-L98 HydrophobicContact CG-CG 4.24Å; P95-L98 PolarHBondContact O-N 3.08Å; P95-L98 VanDerWaalsContact O-N 3.1Å; L98-N128 WeakPolarHBondContact CD2-O 3.18Å; L98-L129 HydrophobicContact CD2-CD2 3.74Å
99S81.3Confident80.2Confident72 Ų7275.9 Ų75.950%0.50337%0.371SS..Hα-helixtrans-77.2-26.7-178-510000113.1P94 P95 I96P94-S99 WeakPolarHBondContact CG-OG 3.22Å; P94-S99 PolarHBondContact O-OG 3.01Å; P95-S99 PolarHBondContact O-N 3.02Å; P95-S99 PolarHBondContact O-OG 3.32Å; I96-S99 PolarHBondContact O-N 3.3Å
100S87Confident82.7Confident36 Ų3669.4 Ų69.425%0.25233%0.331SS..  trans-112.496.9-173.8-170.50000112.2I96 K102 L103 L104I96-S100 VanDerWaalsContact O-CB 3.26Å; I96-S100 WeakPolarHBondContact O-CB 3.46Å; I96-S100 PolarHBondContact O-N 2.95Å; S100-K102 PolarHBondContact O-N 2.94Å; S100-K102 VanDerWaalsContact O-N 3.11Å; S100-L103 PolarHBondContact O-N 3.01Å; S100-L103 PolarHBondContact OG-N 3.03Å; S100-L104 PolarHBondContact O-N 2.96Å
101S88.5Confident85.2Confident79 Ų7963 Ų6355%0.55230%0.298SS*.Hα-helixtrans-51.3-33.3170.8-179.40000112.7L104 L105S101-L104 PolarHBondContact O-N 3.35Å; S101-L105 VanDerWaalsContact O-CB 3.25Å; S101-L105 WeakPolarHBondContact O-CB 3.36Å; S101-L105 PolarHBondContact O-N 3.15Å
102K91.4Very high87.2Confident159 Ų15957.3 Ų57.369%0.69128%0.276SS*.Hα-helixtrans-66.1-44.2175.2-173.6175.6179.8177.90112.9S100 N106S100-K102 PolarHBondContact O-N 2.94Å; S100-K102 VanDerWaalsContact O-N 3.11Å; K102-N106 WeakPolarHBondContact O-CB 3.43Å; K102-N106 VanDerWaalsContact O-CG 3.28Å; K102-N106 PolarHBondContact O-N 3.41Å
103L92.6Very high88.8Confident13 Ų1350.3 Ų50.37%0.06825%0.252CS..Hα-helixtrans-65.5-43.9175-70.2-179000111.1T52 F59 I96 L97 S100 L105 N106 L107T52-L103 HydrophobicContact CG2-CD1 4.01Å; T52-L103 HydrophobicContact CG2-CD2 4.42Å; F59-L103 HydrophobicContact CE2-CD2 4.13Å; F59-L103 WeakPolarHBondContact CZ-O 3.43Å; I96-L103 HydrophobicContact CB-CD1 4.45Å; I96-L103 HydrophobicContact CG1-CD1 3.75Å; I96-L103 HydrophobicContact CG2-CD1 4.08Å; L97-L103 HydrophobicContact CD1-CB 4.08Å; S100-L103 PolarHBondContact O-N 3.01Å; S100-L103 PolarHBondContact OG-N 3.03Å; L103-L105 PolarHBondContact O-N 3.09Å; L103-N106 WeakPolarHBondContact O-CB 3.28Å; L103-N106 PolarHBondContact O-N 2.97Å; L103-N106 VanDerWaalsContact O-N 3.12Å; L103-L107 PolarHBondContact O-N 3.25Å
104L92.4Very high90.1Very high6 Ų639.1 Ų39.13%0.03121%0.21CC..Hα-helixtrans-64.5-39.7179.8-172.658.1000112L97 S100 S101 N106 L107 C108 L129 P130 L131L97-L104 HydrophobicContact CD1-CB 4.48Å; L97-L104 HydrophobicContact CD1-CD1 4.35Å; L97-L104 HydrophobicContact CG-CD1 4.3Å; S100-L104 PolarHBondContact O-N 2.96Å; S101-L104 PolarHBondContact O-N 3.35Å; L104-N106 VanDerWaalsContact C-N 3.33Å; L104-N106 PolarHBondContact O-N 3.01Å; L104-L107 HydrophobicContact CD1-CD2 4.23Å; L104-L107 WeakPolarHBondContact O-CB 3.47Å; L104-L107 PolarHBondContact O-N 3.37Å; L104-C108 PolarHBondContact O-N 2.95Å; L104-C108 PolarHBondContact O-SG 3.13Å; L104-L129 HydrophobicContact CD1-CB 4.13Å; L104-L129 HydrophobicContact CD1-CD1 4.05Å; L104-P130 HydrophobicContact CD2-CG 4Å; L104-P130 WeakPolarHBondContact CD2-O 3.46Å; L104-L131 HydrophobicContact CD1-CD2 4.07Å; L104-L131 HydrophobicContact CD2-CD2 4.39Å; L104-L131 HydrophobicContact CG-CD2 4.3Å
105L94.4Very high90.9Very high36 Ų3636.6 Ų36.619%0.18819%0.194CC..Hα-helixtrans-64.7-35.7172.3-179.660.9000112.3S101 L103 C108 K109 T134 Q138S101-L105 VanDerWaalsContact O-CB 3.25Å; S101-L105 WeakPolarHBondContact O-CB 3.36Å; S101-L105 PolarHBondContact O-N 3.15Å; L103-L105 PolarHBondContact O-N 3.09Å; L105-C108 PolarHBondContact O-N 2.68Å; L105-K109 HydrophobicContact CG-CD 4.3Å; L105-K109 WeakPolarHBondContact O-CB 3.37Å; L105-K109 VanDerWaalsContact O-CG 3.29Å; L105-K109 WeakPolarHBondContact O-CG 3.37Å; L105-K109 PolarHBondContact O-N 2.9Å; L105-T134 HydrophobicContact CD1-CG2 4.03Å; L105-Q138 HydrophobicContact CD1-CG 4.14Å
106N95Very high91.6Very high48 Ų4838.6 Ų38.626%0.25721%0.208SC..Hα-helixtrans-67.3-40.5174.4-75.7-7.2000111.9F59 K102 L103 L104 C108 K109 S110F59-N106 HydrophobicContact CD2-CB 3.9Å; F59-N106 HydrophobicContact CE2-CB 3.7Å; F59-N106 HydrophobicContact CZ-CB 4.39Å; K102-N106 WeakPolarHBondContact O-CB 3.43Å; K102-N106 VanDerWaalsContact O-CG 3.28Å; K102-N106 PolarHBondContact O-N 3.41Å; L103-N106 WeakPolarHBondContact O-CB 3.28Å; L103-N106 PolarHBondContact O-N 2.97Å; L103-N106 VanDerWaalsContact O-N 3.12Å; L104-N106 VanDerWaalsContact C-N 3.33Å; L104-N106 PolarHBondContact O-N 3.01Å; N106-C108 PolarHBondContact O-N 3.47Å; N106-K109 PolarHBondContact O-N 3.01Å; N106-S110 PolarHBondContact O-N 3Å; N106-S110 PolarHBondContact O-OG 3.35Å
107L95.7Very high92.1Very high0 Ų038.8 Ų38.80%021%0.211CC..Hα-helixtrans-56.2-50.5169.9176.961.2000110.8F59 I62 V73 L97 L103 L104 K109 S110 L111 L129F59-L107 HydrophobicContact CD1-CB 4.33Å; F59-L107 HydrophobicContact CD1-CD1 4.21Å; F59-L107 HydrophobicContact CE1-CB 3.58Å; F59-L107 HydrophobicContact CE1-CD1 3.9Å; F59-L107 HydrophobicContact CE1-CG 4.29Å; F59-L107 HydrophobicContact CZ-CB 4.03Å; I62-L107 HydrophobicContact CD1-CD1 4.46Å; V73-L107 HydrophobicContact CB-CD2 4.32Å; V73-L107 HydrophobicContact CG1-CD2 3.98Å; V73-L107 HydrophobicContact CG2-CD1 4.27Å; V73-L107 HydrophobicContact CG2-CD2 4.32Å; L97-L107 HydrophobicContact CD1-CD2 4.44Å; L97-L107 HydrophobicContact CD2-CD2 4.13Å; L103-L107 PolarHBondContact O-N 3.25Å; L104-L107 HydrophobicContact CD1-CD2 4.23Å; L104-L107 WeakPolarHBondContact O-CB 3.47Å; L104-L107 PolarHBondContact O-N 3.37Å; L107-K109 VanDerWaalsContact C-N 3.32Å; L107-K109 PolarHBondContact O-N 3.36Å; L107-S110 PolarHBondContact O-N 3.38Å; L107-S110 VanDerWaalsContact O-N 3.16Å; L107-L111 HydrophobicContact CD1-CD1 3.91Å; L107-L111 HydrophobicContact CD1-CG 4.05Å; L107-L111 HydrophobicContact CG-CD1 3.84Å; L107-L111 HydrophobicContact CG-CG 4.4Å; L107-L111 WeakPolarHBondContact O-CG 3.45Å; L107-L111 PolarHBondContact O-N 3.49Å; L107-L129 HydrophobicContact CD2-CD1 4.1Å
108C96.1Very high92.5Very high1 Ų138.9 Ų38.91%0.00721%0.212CC..Hα-helixtrans-59.5-40.9178.7-62.10000112.3L104 L105 N106 L111 R112 G135 Q138 I139L104-C108 PolarHBondContact O-N 2.95Å; L104-C108 PolarHBondContact O-SG 3.13Å; L105-C108 PolarHBondContact O-N 2.68Å; N106-C108 PolarHBondContact O-N 3.47Å; C108-L111 PolarHBondContact O-N 3.29Å; C108-R112 WeakPolarHBondContact O-CB 3.35Å; C108-R112 PolarHBondContact O-N 3.31Å; C108-G135 WeakPolarHBondContact CB-O 3.44Å; C108-Q138 HydrophobicContact CB-CB 4.13Å; C108-I139 HydrophobicContact CB-CD1 4.2Å; C108-I139 HydrophobicContact CB-CG1 4.12Å
109K96.8Very high92.9Very high75 Ų7544.1 Ų44.133%0.32624%0.235SC..Hα-helixtrans-63.5-40.9175-76.8168.1179.3172.60112.6L105 N106 L107 Q113 Q138L105-K109 HydrophobicContact CG-CD 4.3Å; L105-K109 WeakPolarHBondContact O-CB 3.37Å; L105-K109 VanDerWaalsContact O-CG 3.29Å; L105-K109 WeakPolarHBondContact O-CG 3.37Å; L105-K109 PolarHBondContact O-N 2.9Å; N106-K109 PolarHBondContact O-N 3.01Å; L107-K109 VanDerWaalsContact C-N 3.32Å; L107-K109 PolarHBondContact O-N 3.36Å; K109-Q113 WeakPolarHBondContact O-CG 3.37Å; K109-Q113 PolarHBondContact O-N 3.48Å; K109-Q113 VanDerWaalsContact O-N 3.15Å; K109-Q138 HydrophobicContact CG-CG 4.11Å
110S96.5Very high93.5Very high9 Ų946.3 Ų46.36%0.06324%0.236CC..Hα-helixtrans-69.8-41.5177-71.50000112.2F59 N106 L107 Q113 C114F59-S110 WeakPolarHBondContact CB-OG 3.18Å; F59-S110 WeakPolarHBondContact O-CB 3.37Å; F59-S110 PolarHBondContact O-OG 2.74Å; N106-S110 PolarHBondContact O-N 3Å; N106-S110 PolarHBondContact O-OG 3.35Å; L107-S110 PolarHBondContact O-N 3.38Å; L107-S110 VanDerWaalsContact O-N 3.16Å; S110-Q113 PolarHBondContact O-N 3.2Å; S110-C114 WeakPolarHBondContact O-CB 3.31Å; S110-C114 PolarHBondContact O-N 3.08Å
111L96.8Very high93.8Very high5 Ų544.8 Ų44.83%0.02623%0.225CC..Hα-helixtrans-63.7-41.5174.7-70.6170.1000111.9I62 I71 L107 C108 Q113 C114 A115 L124 L126I62-L111 HydrophobicContact CG2-CD2 3.98Å; I71-L111 HydrophobicContact CG2-CD2 3.92Å; L107-L111 HydrophobicContact CD1-CD1 3.91Å; L107-L111 HydrophobicContact CD1-CG 4.05Å; L107-L111 HydrophobicContact CG-CD1 3.84Å; L107-L111 HydrophobicContact CG-CG 4.4Å; L107-L111 WeakPolarHBondContact O-CG 3.45Å; L107-L111 PolarHBondContact O-N 3.49Å; C108-L111 PolarHBondContact O-N 3.29Å; L111-Q113 VanDerWaalsContact C-N 3.3Å; L111-Q113 PolarHBondContact O-N 2.89Å; L111-C114 WeakPolarHBondContact O-CB 3.48Å; L111-C114 PolarHBondContact O-N 2.97Å; L111-A115 WeakPolarHBondContact O-CB 3.47Å; L111-A115 PolarHBondContact O-N 3.26Å; L111-L124 HydrophobicContact CD1-CD1 4.43Å; L111-L124 HydrophobicContact CD2-CD1 3.94Å; L111-L126 HydrophobicContact CD1-CD1 4.04Å; L111-L126 HydrophobicContact CD1-CD2 3.69Å; L111-L126 HydrophobicContact CD1-CG 4.43Å
112R96.6Very high94Very high56 Ų5643 Ų4321%0.21121%0.211CC..Hα-helixtrans-54.9-47.3170.8-179.6-177.161165-4.6111.6C108 A115 C116 Q138 E141C108-R112 WeakPolarHBondContact O-CB 3.35Å; C108-R112 PolarHBondContact O-N 3.31Å; R112-A115 PolarHBondContact O-N 2.94Å; R112-C116 PolarHBondContact O-N 3.15Å; R112-C116 PolarHBondContact O-SG 3.15Å; R112-Q138 HydrophobicContact CB-CB 4.32Å; R112-Q138 WeakPolarHBondContact CB-O 3.37Å; R112-Q138 VanDerWaalsContact CD-O 3.23Å; R112-Q138 WeakPolarHBondContact CD-O 3.37Å; R112-Q138 WeakPolarHBondContact CG-O 3.33Å; R112-Q138 VanDerWaalsContact NH1-OE1 3.11Å; R112-E141 WeakPolarHBondContact CD-OE2 3.45Å; R112-E141 HydrophobicContact CG-CB 4.24Å; R112-E141 IonicContact CZ-OE2 2.77Å; R112-E141 IonicContact NE-OE2 3.74Å; R112-E141 IonicContact NH1-OE2 2.74Å; R112-E141 PolarHBondContact NH1-OE2 3.01Å
113Q95Very high94Very high64 Ų6436.1 Ų36.130%0.29918%0.181SC..Hα-helixtrans-68.5-40.5-177.4-74.7174.3-21.100111.6K63 K109 S110 L111 C116 V117K63-Q113 HydrophobicContact CG-CB 4.03Å; K63-Q113 VanDerWaalsContact CG-OE1 3.28Å; K109-Q113 WeakPolarHBondContact O-CG 3.37Å; K109-Q113 PolarHBondContact O-N 3.48Å; K109-Q113 VanDerWaalsContact O-N 3.15Å; S110-Q113 PolarHBondContact O-N 3.2Å; L111-Q113 VanDerWaalsContact C-N 3.3Å; L111-Q113 PolarHBondContact O-N 2.89Å; Q113-C116 PolarHBondContact O-N 3.03Å; Q113-V117 WeakPolarHBondContact O-CB 3.5Å; Q113-V117 VanDerWaalsContact O-CG2 3.27Å; Q113-V117 WeakPolarHBondContact O-CG2 3.14Å; Q113-V117 PolarHBondContact O-N 3.26Å
114C95.4Very high94.1Very high0 Ų035.8 Ų35.80%018%0.179CC..Hα-helixtrans-55.4-55.5168.2-176.20000111.3I62 S110 L111 C116 V117 T118I62-C114 HydrophobicContact CG2-CB 3.97Å; I62-C114 VanDerWaalsContact O-CB 3.31Å; I62-C114 WeakPolarHBondContact O-CB 3.46Å; S110-C114 WeakPolarHBondContact O-CB 3.31Å; S110-C114 PolarHBondContact O-N 3.08Å; L111-C114 WeakPolarHBondContact O-CB 3.48Å; L111-C114 PolarHBondContact O-N 2.97Å; C114-C116 PolarHBondContact O-N 3.49Å; C114-C116 VanDerWaalsContact O-N 3.17Å; C114-V117 PolarHBondContact O-N 3.45Å; C114-T118 WeakPolarHBondContact O-CB 3.13Å; C114-T118 PolarHBondContact O-N 2.84Å; C114-T118 PolarHBondContact O-OG1 3.47Å; C114-T118 PolarHBondContact SG-OG1 3.12Å
115A94.2Very high94.2Very high5 Ų535.6 Ų35.64%0.04118%0.178CC..Hα-helixtrans-59.3-31.6-179.100000113.2L111 R112 V117 N146L111-A115 WeakPolarHBondContact O-CB 3.47Å; L111-A115 PolarHBondContact O-N 3.26Å; R112-A115 PolarHBondContact O-N 2.94Å; A115-V117 VanDerWaalsContact C-N 3.3Å; A115-V117 PolarHBondContact O-N 2.69Å; A115-N146 HydrophobicContact CB-CB 4.4Å; A115-N146 WeakPolarHBondContact O-CB 2.91Å; A115-N146 PolarHBondContact O-ND2 2.79Å
116C93.4Very high94.1Very high54 Ų5433.9 Ų33.937%0.36517%0.169SC..THydrogen-bonded Turntrans-73.1-15.9174.4-67.10000114.7R112 Q113 C114 K145R112-C116 PolarHBondContact O-N 3.15Å; R112-C116 PolarHBondContact O-SG 3.15Å; Q113-C116 PolarHBondContact O-N 3.03Å; C114-C116 PolarHBondContact O-N 3.49Å; C114-C116 VanDerWaalsContact O-N 3.17Å; C116-K145 VanDerWaalsContact SG-CD 3.58Å
117V90.7Very high93.8Very high61 Ų6131.8 Ų31.837%0.3716%0.158SC..THydrogen-bonded Turntrans-122.7-24.2-166.1173.10000112.9K66 Q113 C114 A115K66-V117 HydrophobicContact CD-CG1 4.34Å; K66-V117 HydrophobicContact CG-CG1 4.03Å; Q113-V117 WeakPolarHBondContact O-CB 3.5Å; Q113-V117 VanDerWaalsContact O-CG2 3.27Å; Q113-V117 WeakPolarHBondContact O-CG2 3.14Å; Q113-V117 PolarHBondContact O-N 3.26Å; C114-V117 PolarHBondContact O-N 3.45Å; A115-V117 VanDerWaalsContact C-N 3.3Å; A115-V117 PolarHBondContact O-N 2.69Å
118T91.4Very high93.4Very high3 Ų332.6 Ų32.62%0.01816%0.162CC..  trans-89.8121.5-174.3-54.50000112.5N65 C114 K120 L121 N146N65-T118 PolarHBondContact O-OG1 3.37Å; C114-T118 WeakPolarHBondContact O-CB 3.13Å; C114-T118 PolarHBondContact O-N 2.84Å; C114-T118 PolarHBondContact O-OG1 3.47Å; C114-T118 PolarHBondContact SG-OG1 3.12Å; T118-K120 HydrophobicContact CG2-CB 4.18Å; T118-L121 HydrophobicContact CG2-CB 3.72Å; T118-N146 PolarHBondContact O-ND2 3.46Å; T118-N146 VanDerWaalsContact O-ND2 3.16Å
119E90.5Very high93.1Very high144 Ų14432.6 Ų32.667%0.67316%0.162SC*.SBendtrans-93.913.1175-63.3169.1-166.300112.9
120K92.3Very high92.7Very high119 Ų11932.4 Ų32.452%0.51717%0.168SC..SBendtrans-123.3-14.7-179.5-66.8-167.3-178.9-175.80114.8K66 H69 T118 T122K66-K120 WeakPolarHBondContact O-CD 3.14Å; H69-K120 WeakPolarHBondContact CA-O 3.25Å; H69-K120 WeakPolarHBondContact CB-O 3.43Å; T118-K120 HydrophobicContact CG2-CB 4.18Å; K120-T122 PolarHBondContact O-N 3.21Å; K120-T122 VanDerWaalsContact O-N 3.16Å
121L94.2Very high92.4Very high3 Ų332.6 Ų32.62%0.01617%0.169CC..  trans-73.2110-170-172.569.5000109I71 T118 T148 L149I71-L121 HydrophobicContact CB-CD1 4.25Å; I71-L121 HydrophobicContact CD1-CD1 3.76Å; I71-L121 HydrophobicContact CG1-CD1 3.74Å; T118-L121 HydrophobicContact CG2-CB 3.72Å; L121-T148 PolarHBondContact N-OG1 3.04Å; L121-T148 CarbonylContact O-C 3.59Å; L121-T148 PolarHBondContact O-OG1 3.25Å; L121-L149 HydrophobicContact CD2-CD1 4.03Å; L121-L149 HydrophobicContact CG-CD1 3.8Å; L121-L149 VanDerWaalsContact O-CA 3.25Å; L121-L149 WeakPolarHBondContact O-CA 3.3Å; L121-L149 PolarHBondContact O-N 3.15Å; L121-L149 VanDerWaalsContact O-N 3.07Å
122T92.8Very high92Very high43 Ų4334.3 Ų34.326%0.26418%0.181SC..  trans-105.6-24.6179.256.60000112.3H69 K120 K150 H151H69-T122 PolarHBondContact O-N 3.47Å; H69-T122 PolarHBondContact O-OG1 2.95Å; K120-T122 PolarHBondContact O-N 3.21Å; K120-T122 VanDerWaalsContact O-N 3.16Å; T122-K150 PolarHBondContact O-N 2.92Å; T122-H151 PolarHBondContact O-N 3.16Å
123F92.2Very high91.7Very high14 Ų1440.3 Ų40.36%0.06120%0.204CC..EExtended strand (participates in β ladder)trans-135.1127.8-172.6-164.5-77.1000112.2H69 F70 I71 E125 H151H69-F123 PolarHBondContact O-N 2.98Å; F70-F123 HydrophobicContact CB-CB 4.34Å; F70-F123 HydrophobicContact CD1-CD1 4.36Å; F70-F123 HydrophobicContact CD2-CB 3.61Å; F70-F123 AromaticContact CD2-CD1 3.38Å; F70-F123 HydrophobicContact CD2-CD1 3.38Å; F70-F123 HydrophobicContact CD2-CD2 4.18Å; F70-F123 HydrophobicContact CD2-CE1 4.05Å; F70-F123 AromaticContact CD2-CG 3.46Å; F70-F123 HydrophobicContact CD2-CG 3.46Å; F70-F123 VanDerWaalsContact CD2-CG 3.46Å; F70-F123 HydrophobicContact CE1-CD1 4.2Å; F70-F123 HydrophobicContact CE1-CE1 4.36Å; F70-F123 HydrophobicContact CE2-CB 4.22Å; F70-F123 AromaticContact CE2-CD1 3.14Å; F70-F123 HydrophobicContact CE2-CD1 3.14Å; F70-F123 HydrophobicContact CE2-CD2 4.02Å; F70-F123 AromaticContact CE2-CE1 3.3Å; F70-F123 HydrophobicContact CE2-CE1 3.3Å; F70-F123 HydrophobicContact CE2-CE2 4.22Å; F70-F123 AromaticContact CE2-CG 3.54Å; F70-F123 HydrophobicContact CE2-CG 3.54Å; F70-F123 AromaticContact CE2-CZ 3.88Å; F70-F123 HydrophobicContact CE2-CZ 3.88Å; F70-F123 HydrophobicContact CG-CB 4.13Å; F70-F123 HydrophobicContact CG-CD1 4Å; F70-F123 HydrophobicContact CG-CG 4.29Å; F70-F123 AromaticContact CZ-CD1 3.59Å; F70-F123 HydrophobicContact CZ-CD1 3.59Å; F70-F123 AromaticContact CZ-CE1 3.48Å; F70-F123 HydrophobicContact CZ-CE1 3.48Å; F70-F123 VanDerWaalsContact CZ-CE1 3.48Å; F70-F123 HydrophobicContact CZ-CG 4.42Å; F70-F123 HydrophobicContact CZ-CZ 4.29Å; I71-F123 PolarHBondContact N-O 3.17Å; F123-E125 HydrophobicContact CD1-CB 4.33Å; F123-E125 HydrophobicContact CE1-CB 3.64Å; F123-E125 WeakPolarHBondContact CE1-OE2 3.33Å; F123-H151 HydrophobicContact CB-CB 4.35Å; F123-H151 HydrophobicContact CD2-CB 3.22Å; F123-H151 AromaticContact CD2-CD2 3.75Å; F123-H151 AromaticContact CD2-CG 3.61Å; F123-H151 HydrophobicContact CE2-CB 3.6Å; F123-H151 HydrophobicContact CG-CB 3.94Å
124L94.8Very high91.7Very high6 Ų641.2 Ų41.23%0.03121%0.214CC..EExtended strand (participates in β ladder)trans-132.1123.5174.9176.563.4000110.9I71 L111 L126 I139 L149 H151 L152 S153I71-L124 HydrophobicContact CB-CD1 4.33Å; I71-L124 HydrophobicContact CG2-CD1 4.34Å; I71-L124 WeakPolarHBondContact O-CA 3.29Å; L111-L124 HydrophobicContact CD1-CD1 4.43Å; L111-L124 HydrophobicContact CD2-CD1 3.94Å; L124-L126 HydrophobicContact CD1-CD2 4.5Å; L124-I139 HydrophobicContact CD2-CG2 4.25Å; L124-L149 HydrophobicContact CB-CD1 3.99Å; L124-H151 PolarHBondContact N-O 3.16Å; L124-L152 HydrophobicContact CB-CD2 4.21Å; L124-L152 HydrophobicContact CD2-CD2 4.26Å; L124-S153 PolarHBondContact O-N 3.09Å
125E92.6Very high91.6Very high1 Ų141.2 Ų41.21%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-130.1123.2-179.3172.7-178.4-178.200111.6I71 A72 V73 R74 F123 S153 R551I71-E125 PolarHBondContact O-N 3.4Å; A72-E125 CarbonylContact C-O 3.35Å; A72-E125 VanDerWaalsContact CA-O 3.26Å; A72-E125 WeakPolarHBondContact CA-O 3.44Å; A72-E125 HydrophobicContact CB-CB 3.92Å; A72-E125 HydrophobicContact CB-CG 4.24Å; V73-E125 PolarHBondContact N-O 3.15Å; R74-E125 IonicContact CZ-OE1 3.77Å; R74-E125 IonicContact CZ-OE2 3.51Å; R74-E125 IonicContact NE-OE1 2.96Å; R74-E125 PolarHBondContact NE-OE1 3.21Å; R74-E125 IonicContact NE-OE2 2.82Å; R74-E125 PolarHBondContact NE-OE2 3.33Å; R74-E125 IonicContact NH2-OE1 3.99Å; R74-E125 PolarHBondContact NH2-OE1 3.39Å; R74-E125 IonicContact NH2-OE2 3.46Å; R74-E125 PolarHBondContact NH2-OE2 2.86Å; F123-E125 HydrophobicContact CD1-CB 4.33Å; F123-E125 HydrophobicContact CE1-CB 3.64Å; F123-E125 WeakPolarHBondContact CE1-OE2 3.33Å; E125-S153 CarbonylContact C-O 3.59Å; E125-S153 WeakPolarHBondContact CA-O 3.45Å; E125-R551 IonicContact OE1-CZ 3.25Å; E125-R551 IonicContact OE1-NH1 2.75Å; E125-R551 PolarHBondContact OE1-NH1 2.99Å; E125-R551 IonicContact OE1-NH2 2.75Å; E125-R551 IonicContact OE2-NH1 2.98Å; E125-R551 PolarHBondContact OE2-NH1 2.81Å
126L93Very high91.7Very high1 Ų141.3 Ų41.31%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-122.8102.2176.6-62.4-179.4000108.6V73 L111 L124 L129 L131 I139 S153 F154 S157V73-L126 HydrophobicContact CB-CD2 4.02Å; V73-L126 HydrophobicContact CG2-CD2 4.32Å; V73-L126 WeakPolarHBondContact O-CA 3.26Å; L111-L126 HydrophobicContact CD1-CD1 4.04Å; L111-L126 HydrophobicContact CD1-CD2 3.69Å; L111-L126 HydrophobicContact CD1-CG 4.43Å; L124-L126 HydrophobicContact CD1-CD2 4.5Å; L126-L129 HydrophobicContact CB-CD1 4.17Å; L126-L129 HydrophobicContact CD2-CD1 4.07Å; L126-L131 HydrophobicContact CD1-CD1 4.21Å; L126-L131 HydrophobicContact CD1-CD2 4.44Å; L126-I139 HydrophobicContact CD1-CD1 3.45Å; L126-I139 VanDerWaalsContact CD1-CD1 3.45Å; L126-I139 HydrophobicContact CD1-CG1 4.41Å; L126-S153 PolarHBondContact N-O 3.01Å; L126-F154 HydrophobicContact CB-CD1 4.27Å; L126-F154 HydrophobicContact CD1-CD1 4.42Å; L126-F154 HydrophobicContact CD1-CE1 4.13Å; L126-F154 CarbonylContact O-C 3.12Å; L126-F154 VanDerWaalsContact O-C 3.27Å; L126-F154 VanDerWaalsContact O-CA 3.27Å; L126-F154 WeakPolarHBondContact O-CA 3.47Å; L126-S157 PolarHBondContact O-OG 3.02Å
127Q89.4Confident91.8Very high3 Ų341.5 Ų41.51%0.01421%0.211CC..EExtended strand (participates in β ladder)trans-110.9130.4-169-160.4-16318.100112.3V73 R74 S75 L129 E155V73-Q127 PolarHBondContact O-N 3.16Å; R74-Q127 HydrophobicContact CB-CB 3.97Å; R74-Q127 VanDerWaalsContact CD-OE1 3.24Å; R74-Q127 HydrophobicContact CG-CB 3.76Å; S75-Q127 PolarHBondContact N-O 2.84Å; Q127-L129 VanDerWaalsContact C-N 3.3Å; Q127-L129 PolarHBondContact O-N 3.36Å; Q127-E155 CarbonylContact C-O 3.51Å; Q127-E155 WeakPolarHBondContact CA-O 3.47Å; Q127-E155 HydrophobicContact CG-CB 4.1Å; Q127-E155 HydrophobicContact CG-CG 4.03Å; Q127-E155 VanDerWaalsContact CG-O 3.28Å; Q127-E155 WeakPolarHBondContact CG-O 3.44Å; Q127-E155 PolarHBondContact NE2-OE1 2.89Å
128N87.1Confident92Very high17 Ų1740 Ų409%0.09120%0.2CC..SBendtrans53.142-179.1-52.5-55.6000113.1S75 L98 E155 G156 S365S75-N128 WeakPolarHBondContact O-CB 3.44Å; S75-N128 PolarHBondContact O-ND2 3.46Å; L98-N128 WeakPolarHBondContact CD2-O 3.18Å; N128-E155 PolarHBondContact N-O 3.38Å; N128-G156 WeakPolarHBondContact CA-O 3.48Å; N128-S365 PolarHBondContact ND2-OG 2.91Å
129L89.7Confident92.2Very high1 Ų140 Ų401%0.00520%0.2CC..  trans-110.3128177.3-58.2-174.7000110.1V73 L97 L98 L104 L107 L126 Q127 L131 S157V73-L129 HydrophobicContact CB-CD1 4.37Å; V73-L129 HydrophobicContact CG1-CD1 4.2Å; L97-L129 HydrophobicContact CD2-CD1 4.47Å; L97-L129 HydrophobicContact CD2-CD2 3.83Å; L98-L129 HydrophobicContact CD2-CD2 3.74Å; L104-L129 HydrophobicContact CD1-CB 4.13Å; L104-L129 HydrophobicContact CD1-CD1 4.05Å; L107-L129 HydrophobicContact CD2-CD1 4.1Å; L126-L129 HydrophobicContact CB-CD1 4.17Å; L126-L129 HydrophobicContact CD2-CD1 4.07Å; Q127-L129 VanDerWaalsContact C-N 3.3Å; Q127-L129 PolarHBondContact O-N 3.36Å; L129-L131 HydrophobicContact CB-CD2 4.17Å; L129-L131 HydrophobicContact CB-CG 4.38Å; L129-L131 PolarHBondContact O-N 3.35Å; L129-S157 PolarHBondContact N-OG 3.45Å; L129-S157 VanDerWaalsContact N-OG 3.16Å; L129-S157 VanDerWaalsContact O-CA 3.29Å; L129-S157 WeakPolarHBondContact O-CA 3.21Å; L129-S157 WeakPolarHBondContact O-CB 3.34Å; L129-S157 PolarHBondContact O-OG 3.17Å
130P88Confident92.5Very high71 Ų7133.2 Ų33.246%0.46117%0.168SC..  trans-7672.4179.730.9-36.2000111.2L104 S132L104-P130 HydrophobicContact CD2-CG 4Å; L104-P130 WeakPolarHBondContact CD2-O 3.46Å; P130-S132 PolarHBondContact O-N 2.85Å; P130-S132 VanDerWaalsContact O-N 3.13Å
131L89.6Confident92.7Very high13 Ų1330.9 Ų30.97%0.06816%0.159CC..  trans-64.2111.1-177.1-62.2-179.9000110.6L104 L126 L129 I139 F154L104-L131 HydrophobicContact CD1-CD2 4.07Å; L104-L131 HydrophobicContact CD2-CD2 4.39Å; L104-L131 HydrophobicContact CG-CD2 4.3Å; L126-L131 HydrophobicContact CD1-CD1 4.21Å; L126-L131 HydrophobicContact CD1-CD2 4.44Å; L129-L131 HydrophobicContact CB-CD2 4.17Å; L129-L131 HydrophobicContact CB-CG 4.38Å; L129-L131 PolarHBondContact O-N 3.35Å; L131-I139 HydrophobicContact CD1-CD1 4.23Å; L131-I139 HydrophobicContact CD2-CD1 4.33Å; L131-F154 HydrophobicContact CD1-CD1 3.68Å; L131-F154 HydrophobicContact CD1-CE1 3.95Å
132S89.3Confident92.7Very high42 Ų4230.8 Ų30.829%0.29416%0.158SC..  trans-64.2152.9169.663.50000110.9P130 T134 G135 L136P130-S132 PolarHBondContact O-N 2.85Å; P130-S132 VanDerWaalsContact O-N 3.13Å; S132-T134 PolarHBondContact O-N 2.88Å; S132-T134 VanDerWaalsContact O-N 3.13Å; S132-G135 WeakPolarHBondContact O-CA 3.47Å; S132-G135 PolarHBondContact O-N 3.01Å; S132-G135 PolarHBondContact OG-N 2.78Å; S132-L136 PolarHBondContact O-N 3.28Å
133R91Very high92.9Very high182 Ų18228.9 Ų28.969%0.68715%0.147SC*.Hα-helixtrans-48.6-42.4175.6-169.1-179.7-173.7-152.15.3112.1L136 L137R133-L136 PolarHBondContact O-N 2.95Å; R133-L137 HydrophobicContact CG-CD1 4.34Å; R133-L137 WeakPolarHBondContact O-CB 3.13Å; R133-L137 VanDerWaalsContact O-CG 3.29Å; R133-L137 WeakPolarHBondContact O-CG 3.39Å; R133-L137 PolarHBondContact O-N 3.37Å
134T94Very high93Very high83 Ų8335.4 Ų35.451%0.50917%0.171SC..Hα-helixtrans-62.6-43175-48.60000112.5L105 S132 L137 Q138L105-T134 HydrophobicContact CD1-CG2 4.03Å; S132-T134 PolarHBondContact O-N 2.88Å; S132-T134 VanDerWaalsContact O-N 3.13Å; T134-L137 PolarHBondContact O-N 3.05Å; T134-Q138 WeakPolarHBondContact O-CG 3.32Å; T134-Q138 PolarHBondContact O-N 2.94Å; T134-Q138 VanDerWaalsContact O-N 3.17Å
135G94Very high92.9Very high0 Ų041.3 Ų41.30%020%0.197CC..Hα-helixtrans-62.9-45.5175.400000112.4C108 S132 L137 Q138 I139C108-G135 WeakPolarHBondContact CB-O 3.44Å; S132-G135 WeakPolarHBondContact O-CA 3.47Å; S132-G135 PolarHBondContact O-N 3.01Å; S132-G135 PolarHBondContact OG-N 2.78Å; G135-L137 PolarHBondContact O-N 3.21Å; G135-Q138 WeakPolarHBondContact O-CB 3.49Å; G135-Q138 PolarHBondContact O-N 3.47Å; G135-Q138 VanDerWaalsContact O-N 3.16Å; G135-I139 PolarHBondContact O-N 3.23Å
136L95Very high93Very high6 Ų641.6 Ų41.63%0.03120%0.198CC..Hα-helixtrans-60.2-45.1175.9-175.963.4000111.8S132 R133 Q138 I139 C140 F154 I159 G163 I167S132-L136 PolarHBondContact O-N 3.28Å; R133-L136 PolarHBondContact O-N 2.95Å; L136-Q138 VanDerWaalsContact C-N 3.29Å; L136-Q138 PolarHBondContact O-N 3.07Å; L136-I139 WeakPolarHBondContact O-CB 3.44Å; L136-I139 PolarHBondContact O-N 2.92Å; L136-C140 PolarHBondContact O-N 3.13Å; L136-C140 PolarHBondContact O-SG 2.81Å; L136-F154 HydrophobicContact CD1-CE1 4.14Å; L136-F154 HydrophobicContact CD1-CZ 4.17Å; L136-I159 HydrophobicContact CD1-CD1 4.35Å; L136-I159 HydrophobicContact CD2-CG1 4.46Å; L136-I159 HydrophobicContact CD2-CG2 4.01Å; L136-G163 VanDerWaalsContact CD2-CA 3.46Å; L136-I167 HydrophobicContact CD1-CD1 4.13Å; L136-I167 HydrophobicContact CD1-CG1 4.22Å
137L95.5Very high93Very high59 Ų5947.6 Ų47.631%0.30923%0.226SC..Hα-helixtrans-57.4-38.4174.6-76.6166.5000112.7R133 T134 G135 I139 C140 E141 E166R133-L137 HydrophobicContact CG-CD1 4.34Å; R133-L137 WeakPolarHBondContact O-CB 3.13Å; R133-L137 VanDerWaalsContact O-CG 3.29Å; R133-L137 WeakPolarHBondContact O-CG 3.39Å; R133-L137 PolarHBondContact O-N 3.37Å; T134-L137 PolarHBondContact O-N 3.05Å; G135-L137 PolarHBondContact O-N 3.21Å; L137-I139 VanDerWaalsContact C-N 3.35Å; L137-I139 PolarHBondContact O-N 3.3Å; L137-C140 PolarHBondContact O-N 2.77Å; L137-E141 WeakPolarHBondContact O-CG 3.36Å; L137-E141 PolarHBondContact O-N 3.48Å; L137-E166 HydrophobicContact CD2-CG 3.7Å; L137-E166 WeakPolarHBondContact CD2-OE1 3.23Å
138Q96.2Very high93.2Very high28 Ų2848.7 Ų48.713%0.13123%0.233CC..Hα-helixtrans-61.3-44.7173.3-59.6-60.1-9700111.3L105 C108 K109 R112 T134 G135 L136 E141 G142L105-Q138 HydrophobicContact CD1-CG 4.14Å; C108-Q138 HydrophobicContact CB-CB 4.13Å; K109-Q138 HydrophobicContact CG-CG 4.11Å; R112-Q138 HydrophobicContact CB-CB 4.32Å; R112-Q138 WeakPolarHBondContact CB-O 3.37Å; R112-Q138 VanDerWaalsContact CD-O 3.23Å; R112-Q138 WeakPolarHBondContact CD-O 3.37Å; R112-Q138 WeakPolarHBondContact CG-O 3.33Å; R112-Q138 VanDerWaalsContact NH1-OE1 3.11Å; T134-Q138 WeakPolarHBondContact O-CG 3.32Å; T134-Q138 PolarHBondContact O-N 2.94Å; T134-Q138 VanDerWaalsContact O-N 3.17Å; G135-Q138 WeakPolarHBondContact O-CB 3.49Å; G135-Q138 PolarHBondContact O-N 3.47Å; G135-Q138 VanDerWaalsContact O-N 3.16Å; L136-Q138 VanDerWaalsContact C-N 3.29Å; L136-Q138 PolarHBondContact O-N 3.07Å; Q138-E141 PolarHBondContact O-N 2.91Å; Q138-G142 PolarHBondContact O-N 3.07Å
139I96.2Very high93.6Very high4 Ų448 Ų482%0.02123%0.229CC..Hα-helixtrans-65.1-45-179.9-64.1157.4000110.2C108 L124 L126 L131 G135 L136 L137 E141 G142 I143 F154C108-I139 HydrophobicContact CB-CD1 4.2Å; C108-I139 HydrophobicContact CB-CG1 4.12Å; L124-I139 HydrophobicContact CD2-CG2 4.25Å; L126-I139 HydrophobicContact CD1-CD1 3.45Å; L126-I139 VanDerWaalsContact CD1-CD1 3.45Å; L126-I139 HydrophobicContact CD1-CG1 4.41Å; L131-I139 HydrophobicContact CD1-CD1 4.23Å; L131-I139 HydrophobicContact CD2-CD1 4.33Å; G135-I139 PolarHBondContact O-N 3.23Å; L136-I139 WeakPolarHBondContact O-CB 3.44Å; L136-I139 PolarHBondContact O-N 2.92Å; L137-I139 VanDerWaalsContact C-N 3.35Å; L137-I139 PolarHBondContact O-N 3.3Å; I139-E141 PolarHBondContact O-N 3.36Å; I139-G142 WeakPolarHBondContact O-CA 3.37Å; I139-G142 PolarHBondContact O-N 3.4Å; I139-I143 HydrophobicContact CG2-CD1 3.73Å; I139-I143 HydrophobicContact CG2-CG1 4.34Å; I139-I143 WeakPolarHBondContact O-CG1 3.49Å; I139-I143 PolarHBondContact O-N 2.67Å; I139-F154 HydrophobicContact CD1-CE1 4.43Å; I139-F154 HydrophobicContact CG2-CE1 4.24Å; I139-F154 HydrophobicContact CG2-CZ 4.07Å
140C95.9Very high93.8Very high2 Ų253 Ų531%0.01425%0.251CS..Hα-helixtrans-58.6-40.2175.4-72.70000113.2L136 L137 G142 I143 R144 V170L136-C140 PolarHBondContact O-N 3.13Å; L136-C140 PolarHBondContact O-SG 2.81Å; L137-C140 PolarHBondContact O-N 2.77Å; C140-G142 VanDerWaalsContact C-N 3.26Å; C140-G142 PolarHBondContact O-N 2.75Å; C140-I143 PolarHBondContact O-N 3.36Å; C140-R144 WeakPolarHBondContact O-CB 3.49Å; C140-R144 PolarHBondContact O-N 2.75Å; C140-V170 HydrophobicContact CB-CG2 4.03Å
141E95.7Very high94Very high70 Ų7051.2 Ų51.233%0.32724%0.236SC..Hα-helixtrans-61.2-33.7172.3-78.7-170.9139.900113.5R112 L137 Q138 I139R112-E141 WeakPolarHBondContact CD-OE2 3.45Å; R112-E141 HydrophobicContact CG-CB 4.24Å; R112-E141 IonicContact CZ-OE2 2.77Å; R112-E141 IonicContact NE-OE2 3.74Å; R112-E141 IonicContact NH1-OE2 2.74Å; R112-E141 PolarHBondContact NH1-OE2 3.01Å; L137-E141 WeakPolarHBondContact O-CG 3.36Å; L137-E141 PolarHBondContact O-N 3.48Å; Q138-E141 PolarHBondContact O-N 2.91Å; I139-E141 PolarHBondContact O-N 3.36Å
142G94.9Very high94.3Very high0 Ų050.8 Ų50.80%023%0.234CC..Hα-helixtrans-73.3-47.7176.600000111.7Q138 I139 C140 R144 K145 N146Q138-G142 PolarHBondContact O-N 3.07Å; I139-G142 WeakPolarHBondContact O-CA 3.37Å; I139-G142 PolarHBondContact O-N 3.4Å; C140-G142 VanDerWaalsContact C-N 3.26Å; C140-G142 PolarHBondContact O-N 2.75Å; G142-R144 VanDerWaalsContact C-N 3.34Å; G142-R144 PolarHBondContact O-N 2.82Å; G142-K145 PolarHBondContact O-N 3.16Å; G142-K145 VanDerWaalsContact O-N 3.13Å; G142-N146 PolarHBondContact O-N 2.91Å; G142-N146 VanDerWaalsContact O-N 3.17Å
143I96Very high94.5Very high4 Ų449 Ų492%0.02122%0.221CC..Hα-helixtrans-54.7-48.5175.8-69.9162.4000110.7I139 C140 K145 N146 L149 L152 V170 V174 I177I139-I143 HydrophobicContact CG2-CD1 3.73Å; I139-I143 HydrophobicContact CG2-CG1 4.34Å; I139-I143 WeakPolarHBondContact O-CG1 3.49Å; I139-I143 PolarHBondContact O-N 2.67Å; C140-I143 PolarHBondContact O-N 3.36Å; I143-K145 PolarHBondContact O-N 3.33Å; I143-N146 PolarHBondContact O-N 3.15Å; I143-L149 HydrophobicContact CG1-CD2 4.02Å; I143-L152 HydrophobicContact CD1-CD1 3.7Å; I143-L152 HydrophobicContact CD1-CD2 3.9Å; I143-L152 HydrophobicContact CD1-CG 4.48Å; I143-L152 HydrophobicContact CG1-CD1 4.37Å; I143-L152 HydrophobicContact CG1-CD2 4.26Å; I143-V170 HydrophobicContact CB-CG1 4.45Å; I143-V170 HydrophobicContact CG2-CG1 3.97Å; I143-V174 HydrophobicContact CG2-CG1 4.33Å; I143-V174 HydrophobicContact CG2-CG2 4.49Å; I143-I177 HydrophobicContact CG2-CD1 3.58Å
144R95.2Very high94.6Very high150 Ų15040.3 Ų40.357%0.56619%0.188SC*.THydrogen-bonded Turntrans-56.3-22.9179.8-173.7172.260116.7-7.1114.5C140 G142 V170C140-R144 WeakPolarHBondContact O-CB 3.49Å; C140-R144 PolarHBondContact O-N 2.75Å; G142-R144 VanDerWaalsContact C-N 3.34Å; G142-R144 PolarHBondContact O-N 2.82Å; R144-V170 HydrophobicContact CB-CG1 3.83Å; R144-V170 HydrophobicContact CG-CG1 4.49Å
145K93.5Very high94.3Very high131 Ų13136.4 Ų36.457%0.5716%0.164SC*.THydrogen-bonded Turntrans-102.1-13.3179.5-70.9173.9175.7175.90113.2C116 G142 I143C116-K145 VanDerWaalsContact SG-CD 3.58Å; G142-K145 PolarHBondContact O-N 3.16Å; G142-K145 VanDerWaalsContact O-N 3.13Å; I143-K145 PolarHBondContact O-N 3.33Å
146N94Very high94Very high6 Ų637 Ų373%0.03217%0.171CC..  trans-92.5128.8-176.5-167.4-77.4000111.3A115 T118 G142 I143 T148 L149 N176A115-N146 HydrophobicContact CB-CB 4.4Å; A115-N146 WeakPolarHBondContact O-CB 2.91Å; A115-N146 PolarHBondContact O-ND2 2.79Å; T118-N146 PolarHBondContact O-ND2 3.46Å; T118-N146 VanDerWaalsContact O-ND2 3.16Å; G142-N146 PolarHBondContact O-N 2.91Å; G142-N146 VanDerWaalsContact O-N 3.17Å; I143-N146 PolarHBondContact O-N 3.15Å; N146-T148 PolarHBondContact OD1-N 3.21Å; N146-T148 PolarHBondContact OD1-OG1 3.39Å; N146-L149 WeakPolarHBondContact OD1-CB 3.36Å; N146-L149 PolarHBondContact OD1-N 3.23Å; N146-N176 PolarHBondContact O-ND2 3.05Å; N146-N176 VanDerWaalsContact O-ND2 3.12Å
147H92.8Very high93.5Very high128 Ų12836.8 Ų36.859%0.59317%0.17SC*.SBendtrans-108.53.8-177.355.7-85.5000113.1
148T94.4Very high93Very high26 Ų2637.1 Ų37.116%0.1618%0.177CC..SBendtrans-112.3-20.9-175.663.40000113.2L121 N146 K150L121-T148 PolarHBondContact N-OG1 3.04Å; L121-T148 CarbonylContact O-C 3.59Å; L121-T148 PolarHBondContact O-OG1 3.25Å; N146-T148 PolarHBondContact OD1-N 3.21Å; N146-T148 PolarHBondContact OD1-OG1 3.39Å; T148-K150 PolarHBondContact O-N 3.46Å
149L94.8Very high92.8Very high1 Ų136.3 Ų36.31%0.00517%0.174CC..  trans-68.1126.3-178.2-159.472.3000110.2L121 L124 I143 N146 L152 N176 I177L121-L149 HydrophobicContact CD2-CD1 4.03Å; L121-L149 HydrophobicContact CG-CD1 3.8Å; L121-L149 VanDerWaalsContact O-CA 3.25Å; L121-L149 WeakPolarHBondContact O-CA 3.3Å; L121-L149 PolarHBondContact O-N 3.15Å; L121-L149 VanDerWaalsContact O-N 3.07Å; L124-L149 HydrophobicContact CB-CD1 3.99Å; I143-L149 HydrophobicContact CG1-CD2 4.02Å; N146-L149 WeakPolarHBondContact OD1-CB 3.36Å; N146-L149 PolarHBondContact OD1-N 3.23Å; L149-L152 HydrophobicContact CD2-CD2 3.52Å; L149-L152 HydrophobicContact CD2-CG 4.13Å; L149-L152 HydrophobicContact CG-CD2 4.41Å; L149-N176 CarbonylContact O-C 3.52Å; L149-N176 PolarHBondContact O-ND2 2.78Å; L149-I177 HydrophobicContact CD2-CD1 4.44Å; L149-I177 WeakPolarHBondContact O-CG1 3.44Å
150K93.2Very high92.7Very high108 Ų10839.3 Ų39.347%0.4719%0.189SC..  trans-113.9-31.8-179.1-63-171178-172.10112.9T122 T148 N176 I177 S178 T179T122-K150 PolarHBondContact O-N 2.92Å; T148-K150 PolarHBondContact O-N 3.46Å; K150-N176 WeakPolarHBondContact CA-O 3.44Å; K150-I177 CarbonylContact O-C 3.5Å; K150-S178 PolarHBondContact O-N 2.98Å; K150-S178 PolarHBondContact O-OG 2.94Å; K150-T179 PolarHBondContact O-N 3.37Å; K150-T179 VanDerWaalsContact O-N 3.12Å
151H93.5Very high92.7Very high33 Ų3340.9 Ų40.915%0.15320%0.198CC..EExtended strand (participates in β ladder)trans-125.7124-170.7-52.9-74.1000110.7T122 F123 L124 T179T122-H151 PolarHBondContact O-N 3.16Å; F123-H151 HydrophobicContact CB-CB 4.35Å; F123-H151 HydrophobicContact CD2-CB 3.22Å; F123-H151 AromaticContact CD2-CD2 3.75Å; F123-H151 AromaticContact CD2-CG 3.61Å; F123-H151 HydrophobicContact CE2-CB 3.6Å; F123-H151 HydrophobicContact CG-CB 3.94Å; L124-H151 PolarHBondContact N-O 3.16Å; H151-T179 WeakPolarHBondContact CA-OG1 3.37Å; H151-T179 WeakPolarHBondContact CB-OG1 3.48Å; H151-T179 WeakPolarHBondContact ND1-CG2 3.43Å; H151-T179 PolarHBondContact ND1-OG1 3.45Å
152L94.6Very high92.6Very high3 Ų342.9 Ų42.92%0.01621%0.211CC..EExtended strand (participates in β ladder)trans-117.3135.1172.9-76.3-179.3000110.5L124 I143 L149 F154 L171 I177 T179 L180 N181L124-L152 HydrophobicContact CB-CD2 4.21Å; L124-L152 HydrophobicContact CD2-CD2 4.26Å; I143-L152 HydrophobicContact CD1-CD1 3.7Å; I143-L152 HydrophobicContact CD1-CD2 3.9Å; I143-L152 HydrophobicContact CD1-CG 4.48Å; I143-L152 HydrophobicContact CG1-CD1 4.37Å; I143-L152 HydrophobicContact CG1-CD2 4.26Å; L149-L152 HydrophobicContact CD2-CD2 3.52Å; L149-L152 HydrophobicContact CD2-CG 4.13Å; L149-L152 HydrophobicContact CG-CD2 4.41Å; L152-F154 HydrophobicContact CD1-CE2 4.49Å; L152-L171 HydrophobicContact CD1-CD2 4.33Å; L152-I177 HydrophobicContact CD1-CD1 3.71Å; L152-I177 HydrophobicContact CD1-CG2 4.37Å; L152-I177 HydrophobicContact CG-CD1 4.2Å; L152-I177 HydrophobicContact CG-CG2 4.46Å; L152-T179 PolarHBondContact N-O 2.81Å; L152-L180 HydrophobicContact CB-CD1 3.95Å; L152-L180 WeakPolarHBondContact O-CA 3.44Å; L152-N181 PolarHBondContact O-N 3.05Å
153S93.4Very high92.6Very high4 Ų443.1 Ų43.13%0.02821%0.214CC..EExtended strand (participates in β ladder)trans-137.5129.2172.8179.70000111L124 E125 L126 N181L124-S153 PolarHBondContact O-N 3.09Å; E125-S153 CarbonylContact C-O 3.59Å; E125-S153 WeakPolarHBondContact CA-O 3.45Å; L126-S153 PolarHBondContact N-O 3.01Å; S153-N181 PolarHBondContact OG-ND2 3.18Å
154F93.4Very high92.6Very high1 Ų143 Ų430%0.00421%0.213CC..  trans-122.518.8174.9-64.6-77.2000112.5L126 L131 L136 I139 L152 G156 S157 I159 I167 N181 L182 C185L126-F154 HydrophobicContact CB-CD1 4.27Å; L126-F154 HydrophobicContact CD1-CD1 4.42Å; L126-F154 HydrophobicContact CD1-CE1 4.13Å; L126-F154 CarbonylContact O-C 3.12Å; L126-F154 VanDerWaalsContact O-C 3.27Å; L126-F154 VanDerWaalsContact O-CA 3.27Å; L126-F154 WeakPolarHBondContact O-CA 3.47Å; L131-F154 HydrophobicContact CD1-CD1 3.68Å; L131-F154 HydrophobicContact CD1-CE1 3.95Å; L136-F154 HydrophobicContact CD1-CE1 4.14Å; L136-F154 HydrophobicContact CD1-CZ 4.17Å; I139-F154 HydrophobicContact CD1-CE1 4.43Å; I139-F154 HydrophobicContact CG2-CE1 4.24Å; I139-F154 HydrophobicContact CG2-CZ 4.07Å; L152-F154 HydrophobicContact CD1-CE2 4.49Å; F154-G156 PolarHBondContact O-N 2.91Å; F154-S157 WeakPolarHBondContact O-CA 3.49Å; F154-S157 WeakPolarHBondContact O-CB 3.34Å; F154-S157 PolarHBondContact O-N 3.46Å; F154-S157 PolarHBondContact O-OG 3.3Å; F154-I159 HydrophobicContact CB-CD1 3.29Å; F154-I159 HydrophobicContact CD1-CD1 3.79Å; F154-I159 HydrophobicContact CD2-CD1 3.86Å; F154-I159 HydrophobicContact CG-CD1 3.4Å; F154-I167 HydrophobicContact CD2-CD1 4Å; F154-I167 HydrophobicContact CE2-CD1 3.75Å; F154-I167 HydrophobicContact CE2-CG1 4.44Å; F154-I167 HydrophobicContact CZ-CD1 4.41Å; F154-N181 PolarHBondContact N-O 3.41Å; F154-L182 HydrophobicContact CB-CD2 4.44Å; F154-L182 HydrophobicContact CD2-CD2 4.22Å; F154-C185 PolarHBondContact O-SG 3.25Å; F154-C185 VanDerWaalsContact O-SG 3.42Å
155E89Confident92.6Very high0 Ų041 Ų410%021%0.21CC..THydrogen-bonded Turntrans-43.2124.2-173.6171.2174130.400115Q127 N128 S157 N181 T183 V367 T369 W372Q127-E155 CarbonylContact C-O 3.51Å; Q127-E155 WeakPolarHBondContact CA-O 3.47Å; Q127-E155 HydrophobicContact CG-CB 4.1Å; Q127-E155 HydrophobicContact CG-CG 4.03Å; Q127-E155 VanDerWaalsContact CG-O 3.28Å; Q127-E155 WeakPolarHBondContact CG-O 3.44Å; Q127-E155 PolarHBondContact NE2-OE1 2.89Å; N128-E155 PolarHBondContact N-O 3.38Å; E155-S157 PolarHBondContact O-N 3.12Å; E155-N181 PolarHBondContact OE2-ND2 2.97Å; E155-T183 CarbonylContact C-O 3.6Å; E155-T183 WeakPolarHBondContact CA-O 3.44Å; E155-T183 HydrophobicContact CG-CG2 3.99Å; E155-V367 HydrophobicContact CG-CG1 4.37Å; E155-T369 VanDerWaalsContact OE1-CA 3.25Å; E155-T369 WeakPolarHBondContact OE1-CA 3.31Å; E155-T369 WeakPolarHBondContact OE1-CB 3.5Å; E155-W372 PolarHBondContact OE2-NE1 3.33Å
156G86.1Confident92.8Very high14 Ų1436.3 Ų36.314%0.14419%0.19CC..THydrogen-bonded Turntrans69.73-178.400000115.3N128 F154 T183 S184N128-G156 WeakPolarHBondContact CA-O 3.48Å; F154-G156 PolarHBondContact O-N 2.91Å; G156-T183 PolarHBondContact N-O 3.04Å; G156-S184 WeakPolarHBondContact CA-O 3.5Å
157S86.1Confident92.9Very high0 Ų036.1 Ų36.10%019%0.189CC..  trans-88.6107.6170.7-55.10000108.2L126 L129 F154 E155 I159 C185L126-S157 PolarHBondContact O-OG 3.02Å; L129-S157 PolarHBondContact N-OG 3.45Å; L129-S157 VanDerWaalsContact N-OG 3.16Å; L129-S157 VanDerWaalsContact O-CA 3.29Å; L129-S157 WeakPolarHBondContact O-CA 3.21Å; L129-S157 WeakPolarHBondContact O-CB 3.34Å; L129-S157 PolarHBondContact O-OG 3.17Å; F154-S157 WeakPolarHBondContact O-CA 3.49Å; F154-S157 WeakPolarHBondContact O-CB 3.34Å; F154-S157 PolarHBondContact O-N 3.46Å; F154-S157 PolarHBondContact O-OG 3.3Å; E155-S157 PolarHBondContact O-N 3.12Å; S157-I159 VanDerWaalsContact C-N 3.28Å; S157-I159 WeakPolarHBondContact O-CG1 3.23Å; S157-I159 PolarHBondContact O-N 3.5Å; S157-C185 PolarHBondContact O-SG 2.88Å
158S85.2Confident93.1Very high67 Ų6730.1 Ų30.147%0.46916%0.161SC..  trans-6678.2-173.7-49.70000113.5
159I91.2Very high93.1Very high11 Ų1135.3 Ų35.36%0.05618%0.178CC..  trans-74.5-30.8-178.1-78.3169.9000111.7L136 F154 S157 G163 I167 C185L136-I159 HydrophobicContact CD1-CD1 4.35Å; L136-I159 HydrophobicContact CD2-CG1 4.46Å; L136-I159 HydrophobicContact CD2-CG2 4.01Å; F154-I159 HydrophobicContact CB-CD1 3.29Å; F154-I159 HydrophobicContact CD1-CD1 3.79Å; F154-I159 HydrophobicContact CD2-CD1 3.86Å; F154-I159 HydrophobicContact CG-CD1 3.4Å; S157-I159 VanDerWaalsContact C-N 3.28Å; S157-I159 WeakPolarHBondContact O-CG1 3.23Å; S157-I159 PolarHBondContact O-N 3.5Å; I159-G163 VanDerWaalsContact CG2-CA 3.48Å; I159-G163 PolarHBondContact O-N 3.2Å; I159-I167 HydrophobicContact CD1-CD1 3.99Å; I159-I167 HydrophobicContact CG2-CD1 4.17Å; I159-C185 PolarHBondContact N-O 3Å
160N93.3Very high93.2Very high66 Ų6635.8 Ų35.835%0.35318%0.181SC..Hα-helixtrans57.8-176.9-174.1-43-43.7000112.7G163 L164 C185 N186N160-G163 PolarHBondContact O-N 3.41Å; N160-L164 PolarHBondContact O-N 2.97Å; N160-L164 VanDerWaalsContact O-N 3.14Å; N160-C185 PolarHBondContact N-O 3.31Å; N160-C185 VanDerWaalsContact N-O 3.11Å; N160-N186 PolarHBondContact OD1-ND2 2.77Å
161D95.9Very high93.3Very high36 Ų3630.8 Ų30.819%0.19316%0.159CC..Hα-helixtrans-69.2-42.8-173.1-57.1-44.1000112.5G163 L164 E165 L187 S188 G191D161-G163 PolarHBondContact O-N 3.23Å; D161-L164 WeakPolarHBondContact O-CB 3.2Å; D161-L164 PolarHBondContact O-N 3.03Å; D161-E165 PolarHBondContact O-N 2.97Å; D161-L187 WeakPolarHBondContact OD1-CA 3.45Å; D161-S188 VanDerWaalsContact CG-OG 3.32Å; D161-S188 PolarHBondContact OD1-N 3Å; D161-S188 VanDerWaalsContact OD2-CB 3.29Å; D161-S188 WeakPolarHBondContact OD2-CB 3.3Å; D161-S188 PolarHBondContact OD2-N 3.02Å; D161-S188 PolarHBondContact OD2-OG 2.98Å; D161-G191 VanDerWaalsContact OD1-CA 3.26Å; D161-G191 WeakPolarHBondContact OD1-CA 3.49Å; D161-G191 PolarHBondContact OD1-N 3.26Å
162D94.2Very high93.3Very high111 Ų11133.6 Ų33.659%0.59417%0.168SC*.Hα-helixtrans-51.5-39.9172.8-62.95.4000113.3E166D162-E166 PolarHBondContact O-N 3.39Å
163G94.6Very high93.1Very high6 Ų639.8 Ų39.86%0.06220%0.197CC..Hα-helixtrans-77.7-32.4-178.700000111.9L136 I159 N160 D161 E166 I167L136-G163 VanDerWaalsContact CD2-CA 3.46Å; I159-G163 VanDerWaalsContact CG2-CA 3.48Å; I159-G163 PolarHBondContact O-N 3.2Å; N160-G163 PolarHBondContact O-N 3.41Å; D161-G163 PolarHBondContact O-N 3.23Å; G163-E166 PolarHBondContact O-N 3.1Å; G163-I167 WeakPolarHBondContact O-CG1 3.18Å; G163-I167 PolarHBondContact O-N 3.03Å
164L96.5Very high93.1Very high0 Ų039.9 Ų39.90%020%0.197CC..Hα-helixtrans-68-39.9171.5179.154.3000111.3N160 D161 E166 I167 C168 L182 L187 G191N160-L164 PolarHBondContact O-N 2.97Å; N160-L164 VanDerWaalsContact O-N 3.14Å; D161-L164 WeakPolarHBondContact O-CB 3.2Å; D161-L164 PolarHBondContact O-N 3.03Å; L164-E166 VanDerWaalsContact C-N 3.34Å; L164-E166 PolarHBondContact O-N 3.5Å; L164-I167 PolarHBondContact O-N 3.05Å; L164-C168 WeakPolarHBondContact O-CB 3.08Å; L164-C168 PolarHBondContact O-N 2.9Å; L164-C168 PolarHBondContact O-SG 3.49Å; L164-L182 HydrophobicContact CD1-CD1 3.49Å; L164-L182 VanDerWaalsContact CD1-CD1 3.49Å; L164-L182 HydrophobicContact CD2-CD1 4.39Å; L164-L187 HydrophobicContact CB-CD2 3.92Å; L164-L187 HydrophobicContact CD2-CD1 3.85Å; L164-L187 HydrophobicContact CD2-CD2 3.77Å; L164-L187 HydrophobicContact CD2-CG 4.35Å; L164-L187 HydrophobicContact CG-CD2 4.46Å; L164-G191 VanDerWaalsContact CD2-O 3.29Å; L164-G191 WeakPolarHBondContact CD2-O 3.46Å
165E96Very high92.9Very high110 Ų11043.4 Ų43.451%0.51422%0.22SC..Hα-helixtrans-55.9-48.8172.9-170.1-162.9166.500110.9D161 I167 C168 R169D161-E165 PolarHBondContact O-N 2.97Å; E165-I167 PolarHBondContact O-N 3.45Å; E165-C168 WeakPolarHBondContact O-CB 3.47Å; E165-C168 PolarHBondContact O-N 3.14Å; E165-C168 VanDerWaalsContact O-N 3.17Å; E165-R169 WeakPolarHBondContact O-CB 3.41Å; E165-R169 PolarHBondContact O-N 2.93Å
166E95.7Very high93.1Very high31 Ų3145.4 Ų45.415%0.14523%0.231CC..Hα-helixtrans-65-39179.6178.557.5-161.400112.7L137 D162 G163 L164 R169 V170L137-E166 HydrophobicContact CD2-CG 3.7Å; L137-E166 WeakPolarHBondContact CD2-OE1 3.23Å; D162-E166 PolarHBondContact O-N 3.39Å; G163-E166 PolarHBondContact O-N 3.1Å; L164-E166 VanDerWaalsContact C-N 3.34Å; L164-E166 PolarHBondContact O-N 3.5Å; E166-R169 IonicContact OE1-CZ 2.75Å; E166-R169 IonicContact OE1-NE 3.82Å; E166-R169 IonicContact OE1-NH2 3.63Å; E166-R169 PolarHBondContact OE1-NH2 3.39Å; E166-R169 IonicContact OE2-CZ 3.36Å; E166-R169 IonicContact OE2-NE 2.69Å; E166-R169 PolarHBondContact OE2-NE 2.93Å; E166-R169 IonicContact OE2-NH2 3.55Å; E166-R169 PolarHBondContact OE2-NH2 2.94Å; E166-V170 PolarHBondContact O-N 3.46Å
167I96.8Very high93.5Very high3 Ų344.8 Ų44.82%0.01523%0.225CC..Hα-helixtrans-60.1-50170.9-71.1166.4000109.5L136 F154 I159 G163 L164 E165 R169 V170 L171 L180 L182L136-I167 HydrophobicContact CD1-CD1 4.13Å; L136-I167 HydrophobicContact CD1-CG1 4.22Å; F154-I167 HydrophobicContact CD2-CD1 4Å; F154-I167 HydrophobicContact CE2-CD1 3.75Å; F154-I167 HydrophobicContact CE2-CG1 4.44Å; F154-I167 HydrophobicContact CZ-CD1 4.41Å; I159-I167 HydrophobicContact CD1-CD1 3.99Å; I159-I167 HydrophobicContact CG2-CD1 4.17Å; G163-I167 WeakPolarHBondContact O-CG1 3.18Å; G163-I167 PolarHBondContact O-N 3.03Å; L164-I167 PolarHBondContact O-N 3.05Å; E165-I167 PolarHBondContact O-N 3.45Å; I167-R169 VanDerWaalsContact C-N 3.32Å; I167-R169 PolarHBondContact O-N 2.9Å; I167-V170 PolarHBondContact O-N 2.86Å; I167-V170 VanDerWaalsContact O-N 3.13Å; I167-L171 HydrophobicContact CG2-CD1 3.63Å; I167-L171 HydrophobicContact CG2-CG 4.02Å; I167-L171 WeakPolarHBondContact O-CG 3.32Å; I167-L171 PolarHBondContact O-N 3.19Å; I167-L180 HydrophobicContact CG2-CD1 4.5Å; I167-L180 HydrophobicContact CG2-CD2 4.43Å; I167-L182 HydrophobicContact CD1-CD2 4.41Å
168C96.7Very high93.9Very high1 Ų146 Ų461%0.00723%0.233CC..Hα-helixtrans-60-41.7-178.9-70.30000111.9L164 E165 V170 L171 R172 L198L164-C168 WeakPolarHBondContact O-CB 3.08Å; L164-C168 PolarHBondContact O-N 2.9Å; L164-C168 PolarHBondContact O-SG 3.49Å; E165-C168 WeakPolarHBondContact O-CB 3.47Å; E165-C168 PolarHBondContact O-N 3.14Å; E165-C168 VanDerWaalsContact O-N 3.17Å; C168-V170 VanDerWaalsContact C-N 3.27Å; C168-V170 PolarHBondContact O-N 2.88Å; C168-L171 PolarHBondContact O-N 3.22Å; C168-R172 WeakPolarHBondContact O-CG 3.5Å; C168-R172 PolarHBondContact O-N 3.44Å; C168-L198 HydrophobicContact CB-CB 4.09Å; C168-L198 HydrophobicContact CB-CD2 4.28Å
169R95.6Very high94.2Very high136 Ų13643.6 Ų43.651%0.51322%0.216SC..Hα-helixtrans-56.9-38.8176-168.7176.972.7111.21.8112.5E165 E166 I167E165-R169 WeakPolarHBondContact O-CB 3.41Å; E165-R169 PolarHBondContact O-N 2.93Å; E166-R169 IonicContact OE1-CZ 2.75Å; E166-R169 IonicContact OE1-NE 3.82Å; E166-R169 IonicContact OE1-NH2 3.63Å; E166-R169 PolarHBondContact OE1-NH2 3.39Å; E166-R169 IonicContact OE2-CZ 3.36Å; E166-R169 IonicContact OE2-NE 2.69Å; E166-R169 PolarHBondContact OE2-NE 2.93Å; E166-R169 IonicContact OE2-NH2 3.55Å; E166-R169 PolarHBondContact OE2-NH2 2.94Å; I167-R169 VanDerWaalsContact C-N 3.32Å; I167-R169 PolarHBondContact O-N 2.9Å
170V95.4Very high94.5Very high11 Ų1143.1 Ų43.17%0.06721%0.213CC..Hα-helixtrans-76.3-44.1175.2171.70000112C140 I143 R144 E166 I167 C168 R172 H173 V174C140-V170 HydrophobicContact CB-CG2 4.03Å; I143-V170 HydrophobicContact CB-CG1 4.45Å; I143-V170 HydrophobicContact CG2-CG1 3.97Å; R144-V170 HydrophobicContact CB-CG1 3.83Å; R144-V170 HydrophobicContact CG-CG1 4.49Å; E166-V170 PolarHBondContact O-N 3.46Å; I167-V170 PolarHBondContact O-N 2.86Å; I167-V170 VanDerWaalsContact O-N 3.13Å; C168-V170 VanDerWaalsContact C-N 3.27Å; C168-V170 PolarHBondContact O-N 2.88Å; V170-R172 PolarHBondContact O-N 3.41Å; V170-R172 VanDerWaalsContact O-N 3.15Å; V170-H173 PolarHBondContact O-N 2.86Å; V170-H173 VanDerWaalsContact O-N 3.12Å; V170-V174 HydrophobicContact CG1-CG2 4.04Å; V170-V174 WeakPolarHBondContact O-CG2 3.32Å
171L96.4Very high94.5Very high2 Ų240.2 Ų40.21%0.0120%0.198CC..Hα-helixtrans-63.7-19.7-176.2-68.4-176.5000114.2L152 I167 C168 H173 V174 I177 L180 L198 Q202 L228L152-L171 HydrophobicContact CD1-CD2 4.33Å; I167-L171 HydrophobicContact CG2-CD1 3.63Å; I167-L171 HydrophobicContact CG2-CG 4.02Å; I167-L171 WeakPolarHBondContact O-CG 3.32Å; I167-L171 PolarHBondContact O-N 3.19Å; C168-L171 PolarHBondContact O-N 3.22Å; L171-H173 PolarHBondContact O-N 2.92Å; L171-H173 VanDerWaalsContact O-N 3.11Å; L171-V174 PolarHBondContact O-N 3.22Å; L171-I177 HydrophobicContact CD2-CB 4.18Å; L171-I177 HydrophobicContact CD2-CD1 3.42Å; L171-I177 VanDerWaalsContact CD2-CD1 3.42Å; L171-I177 HydrophobicContact CD2-CG1 4.39Å; L171-I177 HydrophobicContact CD2-CG2 4.16Å; L171-L180 HydrophobicContact CD1-CD2 3.84Å; L171-L198 HydrophobicContact CB-CD1 3.81Å; L171-L198 HydrophobicContact CB-CD2 3.74Å; L171-L198 HydrophobicContact CB-CG 4.45Å; L171-L198 HydrophobicContact CD1-CD2 3.94Å; L171-L198 HydrophobicContact CG-CD2 4.48Å; L171-Q202 PolarHBondContact O-NE2 2.86Å; L171-L228 HydrophobicContact CD1-CD1 4.48Å
172R93.9Very high94.4Very high92 Ų9238.5 Ų38.535%0.34719%0.188SC..THydrogen-bonded Turntrans-51.5-32.4170.6-71.2178.2-165.3-174.16.2112.7C168 V170 L198 Y201C168-R172 WeakPolarHBondContact O-CG 3.5Å; C168-R172 PolarHBondContact O-N 3.44Å; V170-R172 PolarHBondContact O-N 3.41Å; V170-R172 VanDerWaalsContact O-N 3.15Å; R172-L198 HydrophobicContact CB-CD1 4.44Å; R172-L198 HydrophobicContact CG-CD1 3.88Å; R172-Y201 HydrophobicContact CB-CD1 3.83Å; R172-Y201 HydrophobicContact CB-CE1 3.87Å; R172-Y201 HydrophobicContact CB-CG 4.43Å; R172-Y201 HydrophobicContact CG-CD1 3.97Å; R172-Y201 HydrophobicContact CG-CE1 4.45Å; R172-Y201 HydrophobicContact CG-CG 4.12Å; R172-Y201 WeakPolarHBondContact O-CE1 3.4Å
173H89.4Confident94.3Very high134 Ų13433.2 Ų33.262%0.6216%0.16SC*.THydrogen-bonded Turntrans-115.513.9-174.7-54.6-52.8000114.2V170 L171 P175 Y201V170-H173 PolarHBondContact O-N 2.86Å; V170-H173 VanDerWaalsContact O-N 3.12Å; L171-H173 PolarHBondContact O-N 2.92Å; L171-H173 VanDerWaalsContact O-N 3.11Å; H173-P175 WeakPolarHBondContact O-CD 3.3Å; H173-Y201 PolarHBondContact CE1-OH 3.49Å
174V93.2Very high94.2Very high5 Ų534.2 Ų34.23%0.0317%0.166CC..  trans-125.175-176.4-172.50000110.2I143 V170 L171 N176 I177I143-V174 HydrophobicContact CG2-CG1 4.33Å; I143-V174 HydrophobicContact CG2-CG2 4.49Å; V170-V174 HydrophobicContact CG1-CG2 4.04Å; V170-V174 WeakPolarHBondContact O-CG2 3.32Å; L171-V174 PolarHBondContact O-N 3.22Å; V174-N176 VanDerWaalsContact CG1-OD1 3.25Å; V174-N176 WeakPolarHBondContact CG1-OD1 3.19Å; V174-N176 PolarHBondContact O-N 3.38Å; V174-I177 HydrophobicContact CB-CD1 4.41Å; V174-I177 HydrophobicContact CG1-CD1 3.63Å; V174-I177 HydrophobicContact CG1-CG1 4.01Å; V174-I177 PolarHBondContact O-N 3.19Å
175P90.1Very high94Very high75 Ų7534.2 Ų34.249%0.48717%0.166SC..THydrogen-bonded Turntrans-73-7.3-174.231.6-37.2000113.9H173 I177 G226 G227H173-P175 WeakPolarHBondContact O-CD 3.3Å; P175-I177 VanDerWaalsContact C-N 3.27Å; P175-I177 PolarHBondContact O-N 3.08Å; P175-G226 CarbonylContact O-C 3.41Å; P175-G226 VanDerWaalsContact O-C 3.29Å; P175-G226 WeakPolarHBondContact O-CA 3.42Å; P175-G227 PolarHBondContact O-N 2.9Å
176N93.2Very high93.8Very high43 Ų4332.2 Ų32.223%0.2316%0.159CC..THydrogen-bonded Turntrans-70.9-20.317544.6-73.7000113.6N146 L149 K150 V174 S178N146-N176 PolarHBondContact O-ND2 3.05Å; N146-N176 VanDerWaalsContact O-ND2 3.12Å; L149-N176 CarbonylContact O-C 3.52Å; L149-N176 PolarHBondContact O-ND2 2.78Å; K150-N176 WeakPolarHBondContact CA-O 3.44Å; V174-N176 VanDerWaalsContact CG1-OD1 3.25Å; V174-N176 WeakPolarHBondContact CG1-OD1 3.19Å; V174-N176 PolarHBondContact O-N 3.38Å; N176-S178 PolarHBondContact O-N 3.2Å
177I95.1Very high93.9Very high1 Ų130.7 Ų30.71%0.00515%0.152CC..  trans-84.2113.5-178.5-67.1167.7000110.1I143 L149 K150 L152 L171 V174 P175 G227 L228I143-I177 HydrophobicContact CG2-CD1 3.58Å; L149-I177 HydrophobicContact CD2-CD1 4.44Å; L149-I177 WeakPolarHBondContact O-CG1 3.44Å; K150-I177 CarbonylContact O-C 3.5Å; L152-I177 HydrophobicContact CD1-CD1 3.71Å; L152-I177 HydrophobicContact CD1-CG2 4.37Å; L152-I177 HydrophobicContact CG-CD1 4.2Å; L152-I177 HydrophobicContact CG-CG2 4.46Å; L171-I177 HydrophobicContact CD2-CB 4.18Å; L171-I177 HydrophobicContact CD2-CD1 3.42Å; L171-I177 VanDerWaalsContact CD2-CD1 3.42Å; L171-I177 HydrophobicContact CD2-CG1 4.39Å; L171-I177 HydrophobicContact CD2-CG2 4.16Å; V174-I177 HydrophobicContact CB-CD1 4.41Å; V174-I177 HydrophobicContact CG1-CD1 3.63Å; V174-I177 HydrophobicContact CG1-CG1 4.01Å; V174-I177 PolarHBondContact O-N 3.19Å; P175-I177 VanDerWaalsContact C-N 3.27Å; P175-I177 PolarHBondContact O-N 3.08Å; I177-G227 CarbonylContact O-C 3.55Å; I177-G227 VanDerWaalsContact O-C 3.24Å; I177-L228 HydrophobicContact CG2-CD2 4.09Å; I177-L228 PolarHBondContact O-N 3.09Å
178S92.8Very high93.9Very high25 Ų2531.3 Ų31.318%0.17516%0.156CC..  trans-100.7-22.5-177.959.60000114K150 N176 G227 K229 R230K150-S178 PolarHBondContact O-N 2.98Å; K150-S178 PolarHBondContact O-OG 2.94Å; N176-S178 PolarHBondContact O-N 3.2Å; S178-G227 WeakPolarHBondContact CA-O 3.19Å; S178-K229 PolarHBondContact O-N 3.27Å; S178-R230 PolarHBondContact O-N 3.15Å
179T92.9Very high93.8Very high17 Ų1734.2 Ų34.210%0.10417%0.169CC..EExtended strand (participates in β ladder)trans-135.5135.2179.7760000113.1K150 H151 L152 R230 F350K150-T179 PolarHBondContact O-N 3.37Å; K150-T179 VanDerWaalsContact O-N 3.12Å; H151-T179 WeakPolarHBondContact CA-OG1 3.37Å; H151-T179 WeakPolarHBondContact CB-OG1 3.48Å; H151-T179 WeakPolarHBondContact ND1-CG2 3.43Å; H151-T179 PolarHBondContact ND1-OG1 3.45Å; L152-T179 PolarHBondContact N-O 2.81Å; T179-R230 WeakPolarHBondContact CA-O 3.4Å; T179-R230 HydrophobicContact CG2-CB 3.94Å; T179-F350 HydrophobicContact CG2-CE1 4.2Å
180L95.8Very high93.8Very high1 Ų132.5 Ų32.51%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-128.8117.2178.4179.761.4000111.1L152 I167 L171 L182 L228 R230 T232L152-L180 HydrophobicContact CB-CD1 3.95Å; L152-L180 WeakPolarHBondContact O-CA 3.44Å; I167-L180 HydrophobicContact CG2-CD1 4.5Å; I167-L180 HydrophobicContact CG2-CD2 4.43Å; L171-L180 HydrophobicContact CD1-CD2 3.84Å; L180-L182 HydrophobicContact CD1-CD2 4.2Å; L180-L182 HydrophobicContact CD1-CG 4.25Å; L180-L182 HydrophobicContact CD2-CD1 3.87Å; L180-L182 HydrophobicContact CD2-CG 4.41Å; L180-L182 HydrophobicContact CG-CD1 3.99Å; L180-L182 HydrophobicContact CG-CD2 4.47Å; L180-L182 HydrophobicContact CG-CG 3.99Å; L180-L228 HydrophobicContact CB-CD2 3.9Å; L180-R230 PolarHBondContact N-O 3.18Å; L180-T232 PolarHBondContact O-N 3.01Å; L180-T232 VanDerWaalsContact O-N 3.09Å
181N93.5Very high93.9Very high5 Ų532 Ų323%0.02717%0.167CC..EExtended strand (participates in β ladder)trans-105.7116.417617623.7000112.4L152 S153 F154 E155 T183 T232 W372L152-N181 PolarHBondContact O-N 3.05Å; S153-N181 PolarHBondContact OG-ND2 3.18Å; F154-N181 PolarHBondContact N-O 3.41Å; E155-N181 PolarHBondContact OE2-ND2 2.97Å; N181-T183 VanDerWaalsContact OD1-CB 3.3Å; N181-T183 WeakPolarHBondContact OD1-CB 3.39Å; N181-T183 PolarHBondContact OD1-N 3.38Å; N181-T183 PolarHBondContact OD1-OG1 2.69Å; N181-T232 VanDerWaalsContact OD1-CG2 3.32Å; N181-T232 WeakPolarHBondContact OD1-CG2 3.31Å; N181-W372 HydrophobicContact CB-CD2 4.27Å; N181-W372 PolarHBondContact ND2-NE1 3.33Å
182L94.9Very high93.9Very high0 Ų031.9 Ų31.90%017%0.166CC..  trans-124.730.5179.2-57164000111.7F154 L164 I167 L180 S184 C185 L187 T232 L233 N236F154-L182 HydrophobicContact CB-CD2 4.44Å; F154-L182 HydrophobicContact CD2-CD2 4.22Å; L164-L182 HydrophobicContact CD1-CD1 3.49Å; L164-L182 VanDerWaalsContact CD1-CD1 3.49Å; L164-L182 HydrophobicContact CD2-CD1 4.39Å; I167-L182 HydrophobicContact CD1-CD2 4.41Å; L180-L182 HydrophobicContact CD1-CD2 4.2Å; L180-L182 HydrophobicContact CD1-CG 4.25Å; L180-L182 HydrophobicContact CD2-CD1 3.87Å; L180-L182 HydrophobicContact CD2-CG 4.41Å; L180-L182 HydrophobicContact CG-CD1 3.99Å; L180-L182 HydrophobicContact CG-CD2 4.47Å; L180-L182 HydrophobicContact CG-CG 3.99Å; L182-S184 PolarHBondContact O-N 3.41Å; L182-C185 VanDerWaalsContact CA-SG 3.53Å; L182-C185 HydrophobicContact CB-CB 4.31Å; L182-C185 WeakPolarHBondContact O-CB 3.08Å; L182-C185 PolarHBondContact O-N 3.32Å; L182-C185 PolarHBondContact O-SG 3.04Å; L182-C185 VanDerWaalsContact O-SG 3.33Å; L182-L187 HydrophobicContact CB-CD1 3.83Å; L182-L187 HydrophobicContact CD1-CD1 4.09Å; L182-T232 WeakPolarHBondContact CB-O 3.36Å; L182-T232 PolarHBondContact N-O 3.28Å; L182-L233 HydrophobicContact CB-CD2 4.39Å; L182-L233 HydrophobicContact CD1-CD2 4.21Å; L182-N236 PolarHBondContact O-ND2 3.5Å
183T92.7Very high94Very high0 Ų029.7 Ų29.70%017%0.165CC..THydrogen-bonded Turntrans-52.2131.8174.5-640000110.5E155 G156 N181 C185 T232 N234 D235 V367 Y370E155-T183 CarbonylContact C-O 3.6Å; E155-T183 WeakPolarHBondContact CA-O 3.44Å; E155-T183 HydrophobicContact CG-CG2 3.99Å; G156-T183 PolarHBondContact N-O 3.04Å; N181-T183 VanDerWaalsContact OD1-CB 3.3Å; N181-T183 WeakPolarHBondContact OD1-CB 3.39Å; N181-T183 PolarHBondContact OD1-N 3.38Å; N181-T183 PolarHBondContact OD1-OG1 2.69Å; T183-C185 VanDerWaalsContact C-N 3.31Å; T183-C185 PolarHBondContact O-N 3.46Å; T183-C185 PolarHBondContact O-SG 3.01Å; T183-T232 WeakPolarHBondContact OG1-CG2 3.18Å; T183-N234 CarbonylContact C-O 3.57Å; T183-N234 WeakPolarHBondContact CA-O 3.49Å; T183-N234 HydrophobicContact CG2-CB 4.08Å; T183-D235 HydrophobicContact CG2-CB 4.48Å; T183-V367 HydrophobicContact CG2-CG1 4.43Å; T183-Y370 HydrophobicContact CG2-CD2 4.01Å; T183-Y370 HydrophobicContact CG2-CE2 3.68Å
184S91Very high94.4Very high26 Ų2624.7 Ų24.718%0.18215%0.145CC..THydrogen-bonded Turntrans49.641.3178.5-59.10000115.5G156 L182 N234 D235G156-S184 WeakPolarHBondContact CA-O 3.5Å; L182-S184 PolarHBondContact O-N 3.41Å; S184-N234 PolarHBondContact N-O 2.87Å; S184-D235 WeakPolarHBondContact OG-CB 3.23Å
185C92.6Very high94.6Very high0 Ų024.4 Ų24.40%014%0.144CC..SBendtrans-92.18.5179.5-700000114.4F154 S157 I159 N160 L182 T183 L187 N236F154-C185 PolarHBondContact O-SG 3.25Å; F154-C185 VanDerWaalsContact O-SG 3.42Å; S157-C185 PolarHBondContact O-SG 2.88Å; I159-C185 PolarHBondContact N-O 3Å; N160-C185 PolarHBondContact N-O 3.31Å; N160-C185 VanDerWaalsContact N-O 3.11Å; L182-C185 VanDerWaalsContact CA-SG 3.53Å; L182-C185 HydrophobicContact CB-CB 4.31Å; L182-C185 WeakPolarHBondContact O-CB 3.08Å; L182-C185 PolarHBondContact O-N 3.32Å; L182-C185 PolarHBondContact O-SG 3.04Å; L182-C185 VanDerWaalsContact O-SG 3.33Å; T183-C185 VanDerWaalsContact C-N 3.31Å; T183-C185 PolarHBondContact O-N 3.46Å; T183-C185 PolarHBondContact O-SG 3.01Å; C185-L187 HydrophobicContact CB-CD1 4.34Å; C185-L187 HydrophobicContact CB-CD2 4.27Å; C185-L187 HydrophobicContact CB-CG 3.97Å; C185-N236 PolarHBondContact N-OD1 3.47Å
186N93Very high94.9Very high68 Ų6821.9 Ų21.936%0.36413%0.127SC..  trans58.543.8-175.4-178.454.4000112.7N160 N236 K238N160-N186 PolarHBondContact OD1-ND2 2.77Å; N186-N236 PolarHBondContact N-OD1 3.48Å; N186-K238 PolarHBondContact OD1-NZ 3.17Å
187L96.2Very high95Very high0 Ų022.7 Ų22.70%013%0.133CC..  trans-82.9142.1177.5-56.3176.3000111.6D161 L164 L182 C185 L233 N236 K238D161-L187 WeakPolarHBondContact OD1-CA 3.45Å; L164-L187 HydrophobicContact CB-CD2 3.92Å; L164-L187 HydrophobicContact CD2-CD1 3.85Å; L164-L187 HydrophobicContact CD2-CD2 3.77Å; L164-L187 HydrophobicContact CD2-CG 4.35Å; L164-L187 HydrophobicContact CG-CD2 4.46Å; L182-L187 HydrophobicContact CB-CD1 3.83Å; L182-L187 HydrophobicContact CD1-CD1 4.09Å; C185-L187 HydrophobicContact CB-CD1 4.34Å; C185-L187 HydrophobicContact CB-CD2 4.27Å; C185-L187 HydrophobicContact CB-CG 3.97Å; L187-L233 HydrophobicContact CD1-CD2 3.73Å; L187-N236 HydrophobicContact CB-CB 4.27Å; L187-N236 PolarHBondContact N-OD1 3.13Å; L187-K238 WeakPolarHBondContact O-CB 3.18Å
188S96.8Very high95Very high15 Ų1522.7 Ų22.711%0.10513%0.133CC..BIsolated β-bridgetrans-108.7179.5171.380.90000112D161 D190 G191 I192 K238D161-S188 VanDerWaalsContact CG-OG 3.32Å; D161-S188 PolarHBondContact OD1-N 3Å; D161-S188 VanDerWaalsContact OD2-CB 3.29Å; D161-S188 WeakPolarHBondContact OD2-CB 3.3Å; D161-S188 PolarHBondContact OD2-N 3.02Å; D161-S188 PolarHBondContact OD2-OG 2.98Å; S188-D190 PolarHBondContact O-N 2.9Å; S188-D190 PolarHBondContact OG-N 3.36Å; S188-D190 VanDerWaalsContact OG-N 3.11Å; S188-G191 PolarHBondContact O-N 2.93Å; S188-I192 PolarHBondContact O-N 3.29Å; S188-K238 WeakPolarHBondContact CA-O 3.41Å
189K95Very high95.2Very high63 Ų6321.6 Ų21.627%0.27413%0.125SC..Hα-helixtrans-52-33.8168.561.9169.4-170.1172.60113.4G191 I192 S193 K238 E242K189-G191 PolarHBondContact O-N 3.37Å; K189-I192 WeakPolarHBondContact O-CA 3.29Å; K189-I192 WeakPolarHBondContact O-CB 3.47Å; K189-I192 PolarHBondContact O-N 3.41Å; K189-S193 PolarHBondContact O-N 2.93Å; K189-K238 PolarHBondContact N-O 3.42Å; K189-K238 VanDerWaalsContact N-O 3.16Å; K189-E242 HydrophobicContact CD-CB 4.14Å; K189-E242 HydrophobicContact CD-CG 4.03Å; K189-E242 WeakPolarHBondContact CD-OE1 3.44Å; K189-E242 WeakPolarHBondContact CD-OE2 3.38Å; K189-E242 IonicContact NZ-OE1 2.7Å; K189-E242 PolarHBondContact NZ-OE1 3.39Å; K189-E242 IonicContact NZ-OE2 2.76Å; K189-E242 PolarHBondContact NZ-OE2 3.36Å
190D96.6Very high95.3Very high99 Ų9924.4 Ų24.453%0.52914%0.14SC..Hα-helixtrans-72.2-33.9-175.3-56.6-38.7000111.2S188 I192 S193S188-D190 PolarHBondContact O-N 2.9Å; S188-D190 PolarHBondContact OG-N 3.36Å; S188-D190 VanDerWaalsContact OG-N 3.11Å; D190-I192 VanDerWaalsContact C-N 3.29Å; D190-I192 PolarHBondContact O-N 3.01Å; D190-S193 WeakPolarHBondContact O-CB 3.15Å; D190-S193 PolarHBondContact O-N 3.49Å
191G96Very high95.2Very high1 Ų127.6 Ų27.61%0.0115%0.152CC..Hα-helixtrans-65.7-31.216900000113D161 L164 S188 K189 S194 L195D161-G191 VanDerWaalsContact OD1-CA 3.26Å; D161-G191 WeakPolarHBondContact OD1-CA 3.49Å; D161-G191 PolarHBondContact OD1-N 3.26Å; L164-G191 VanDerWaalsContact CD2-O 3.29Å; L164-G191 WeakPolarHBondContact CD2-O 3.46Å; S188-G191 PolarHBondContact O-N 2.93Å; K189-G191 PolarHBondContact O-N 3.37Å; G191-S194 WeakPolarHBondContact O-CB 3.25Å; G191-S194 PolarHBondContact O-N 3.36Å; G191-L195 PolarHBondContact O-N 3.05Å
192I97.6Very high95.3Very high0 Ų028 Ų280%015%0.154CC..Hα-helixtrans-69.3-33.7175.3-56.3-54.5000111.7S188 K189 D190 S194 L195 T196 L233 I239 G243 L247S188-I192 PolarHBondContact O-N 3.29Å; K189-I192 WeakPolarHBondContact O-CA 3.29Å; K189-I192 WeakPolarHBondContact O-CB 3.47Å; K189-I192 PolarHBondContact O-N 3.41Å; D190-I192 VanDerWaalsContact C-N 3.29Å; D190-I192 PolarHBondContact O-N 3.01Å; I192-S194 VanDerWaalsContact C-N 3.25Å; I192-S194 PolarHBondContact O-N 3.04Å; I192-L195 HydrophobicContact CD1-CD2 4.22Å; I192-L195 CarbonylContact O-C 3.29Å; I192-L195 WeakPolarHBondContact O-CA 3.49Å; I192-L195 WeakPolarHBondContact O-CB 3.25Å; I192-L195 PolarHBondContact O-N 3.29Å; I192-T196 WeakPolarHBondContact O-CB 3.38Å; I192-T196 PolarHBondContact O-N 2.84Å; I192-T196 PolarHBondContact O-OG1 3.49Å; I192-L233 HydrophobicContact CD1-CD1 3.67Å; I192-L233 HydrophobicContact CD1-CD2 3.99Å; I192-L233 HydrophobicContact CD1-CG 4.44Å; I192-I239 HydrophobicContact CD1-CD1 3.96Å; I192-I239 HydrophobicContact CD1-CG1 4.15Å; I192-I239 HydrophobicContact CG1-CD1 4.36Å; I192-I239 HydrophobicContact CG1-CG1 4.03Å; I192-I239 HydrophobicContact CG1-CG2 4.13Å; I192-G243 WeakPolarHBondContact CG2-O 3.38Å; I192-L247 HydrophobicContact CG2-CB 3.88Å
193S96.2Very high95.2Very high46 Ų4628.4 Ų28.432%0.32216%0.157SC..Hα-helixtrans-53.5-43.1170.1-560000112.1K189 D190 L195 T196 V197 Q246K189-S193 PolarHBondContact O-N 2.93Å; D190-S193 WeakPolarHBondContact O-CB 3.15Å; D190-S193 PolarHBondContact O-N 3.49Å; S193-L195 PolarHBondContact O-N 3.3Å; S193-T196 PolarHBondContact O-N 3.42Å; S193-V197 WeakPolarHBondContact O-CG2 3.35Å; S193-V197 PolarHBondContact O-N 2.91Å; S193-Q246 PolarHBondContact OG-OE1 3.01Å; S193-Q246 VanDerWaalsContact OG-OE1 3.06Å
194S96.8Very high95.2Very high28 Ų2831 Ų3120%0.19617%0.17CC..Hα-helixtrans-65.1-38.2176.3-71.80000113.1G191 I192 V197 L198G191-S194 WeakPolarHBondContact O-CB 3.25Å; G191-S194 PolarHBondContact O-N 3.36Å; I192-S194 VanDerWaalsContact C-N 3.25Å; I192-S194 PolarHBondContact O-N 3.04Å; S194-V197 PolarHBondContact O-N 3.29Å; S194-L198 PolarHBondContact O-N 2.81Å
195L97Very high95.2Very high0 Ų034.1 Ų34.10%018%0.182CC..Hα-helixtrans-68-40.2175.3-178.365.9000111.8G191 I192 S193 V197 L198 I199 I231 L233 L247G191-L195 PolarHBondContact O-N 3.05Å; I192-L195 HydrophobicContact CD1-CD2 4.22Å; I192-L195 CarbonylContact O-C 3.29Å; I192-L195 WeakPolarHBondContact O-CA 3.49Å; I192-L195 WeakPolarHBondContact O-CB 3.25Å; I192-L195 PolarHBondContact O-N 3.29Å; S193-L195 PolarHBondContact O-N 3.3Å; L195-V197 PolarHBondContact O-N 3.24Å; L195-L198 HydrophobicContact CD1-CD2 4.34Å; L195-L198 WeakPolarHBondContact O-CB 3.48Å; L195-L198 PolarHBondContact O-N 2.8Å; L195-L198 VanDerWaalsContact O-N 3.13Å; L195-I199 HydrophobicContact CG-CD1 4.07Å; L195-I199 WeakPolarHBondContact O-CG1 3.26Å; L195-I199 PolarHBondContact O-N 2.82Å; L195-I231 HydrophobicContact CD1-CD1 4.32Å; L195-I231 HydrophobicContact CD1-CG2 4.26Å; L195-I231 HydrophobicContact CD2-CG2 3.93Å; L195-L233 HydrophobicContact CD2-CD1 3.99Å; L195-L233 HydrophobicContact CD2-CD2 4.29Å; L195-L247 HydrophobicContact CD2-CD1 4.19Å
196T96.5Very high95.3Very high22 Ų2234.5 Ų34.514%0.13518%0.183CC..Hα-helixtrans-59.8-43.1174.1-74.20000111.6I192 S193 L198 I199 N200 Q246 A250I192-T196 WeakPolarHBondContact O-CB 3.38Å; I192-T196 PolarHBondContact O-N 2.84Å; I192-T196 PolarHBondContact O-OG1 3.49Å; S193-T196 PolarHBondContact O-N 3.42Å; T196-L198 VanDerWaalsContact C-N 3.32Å; T196-L198 PolarHBondContact O-N 3.46Å; T196-I199 PolarHBondContact O-N 3.21Å; T196-N200 WeakPolarHBondContact O-CB 3.36Å; T196-N200 PolarHBondContact O-N 3.12Å; T196-N200 PolarHBondContact O-ND2 2.87Å; T196-Q246 PolarHBondContact OG1-O 2.87Å; T196-A250 HydrophobicContact CG2-CB 3.63Å
197V95.8Very high95.2Very high60 Ų6035 Ų3536%0.36418%0.183SC..Hα-helixtrans-63.4-37174.11750000111.8S193 S194 L195 Y201S193-V197 WeakPolarHBondContact O-CG2 3.35Å; S193-V197 PolarHBondContact O-N 2.91Å; S194-V197 PolarHBondContact O-N 3.29Å; L195-V197 PolarHBondContact O-N 3.24Å; V197-Y201 VanDerWaalsContact O-CB 3.32Å; V197-Y201 WeakPolarHBondContact O-CB 3.48Å; V197-Y201 PolarHBondContact O-N 3.36Å; V197-Y201 VanDerWaalsContact O-N 3.09Å
198L96.2Very high95Very high0 Ų038.3 Ų38.30%020%0.201CC..Hα-helixtrans-65.2-46.8173.6172.366.2000112.2C168 L171 R172 S194 L195 T196 Y201 Q202 L228C168-L198 HydrophobicContact CB-CB 4.09Å; C168-L198 HydrophobicContact CB-CD2 4.28Å; L171-L198 HydrophobicContact CB-CD1 3.81Å; L171-L198 HydrophobicContact CB-CD2 3.74Å; L171-L198 HydrophobicContact CB-CG 4.45Å; L171-L198 HydrophobicContact CD1-CD2 3.94Å; L171-L198 HydrophobicContact CG-CD2 4.48Å; R172-L198 HydrophobicContact CB-CD1 4.44Å; R172-L198 HydrophobicContact CG-CD1 3.88Å; S194-L198 PolarHBondContact O-N 2.81Å; L195-L198 HydrophobicContact CD1-CD2 4.34Å; L195-L198 WeakPolarHBondContact O-CB 3.48Å; L195-L198 PolarHBondContact O-N 2.8Å; L195-L198 VanDerWaalsContact O-N 3.13Å; T196-L198 VanDerWaalsContact C-N 3.32Å; T196-L198 PolarHBondContact O-N 3.46Å; L198-Y201 PolarHBondContact O-N 3.16Å; L198-Q202 HydrophobicContact CD1-CG 4.04Å; L198-Q202 PolarHBondContact O-N 2.97Å; L198-L228 HydrophobicContact CD2-CD1 3.62Å; L198-L228 HydrophobicContact CG-CD1 4.42Å
199I95.8Very high94.7Very high2 Ų239.1 Ų39.11%0.0121%0.209CC..Hα-helixtrans-59.1-53179.7-71165.7000109.5L195 T196 Y201 Q202 A203 I231 L247 A250 L251L195-I199 HydrophobicContact CG-CD1 4.07Å; L195-I199 WeakPolarHBondContact O-CG1 3.26Å; L195-I199 PolarHBondContact O-N 2.82Å; T196-I199 PolarHBondContact O-N 3.21Å; I199-Y201 VanDerWaalsContact C-N 3.31Å; I199-Y201 PolarHBondContact O-N 2.94Å; I199-Q202 PolarHBondContact O-N 2.83Å; I199-Q202 VanDerWaalsContact O-N 3.13Å; I199-A203 WeakPolarHBondContact O-CB 3.3Å; I199-A203 PolarHBondContact O-N 3.4Å; I199-I231 HydrophobicContact CD1-CD1 3.78Å; I199-I231 HydrophobicContact CG1-CD1 4.01Å; I199-L247 HydrophobicContact CD1-CD1 3.44Å; I199-L247 VanDerWaalsContact CD1-CD1 3.44Å; I199-A250 HydrophobicContact CG2-CB 4.44Å; I199-L251 HydrophobicContact CD1-CD2 4.31Å; I199-L251 HydrophobicContact CD1-CG 4.46Å; I199-L251 HydrophobicContact CG2-CD2 3.69Å; I199-L251 HydrophobicContact CG2-CG 4.4Å
200N94.6Very high94.4Very high77 Ų7736.6 Ų36.641%0.41220%0.2SC..Hα-helixtrans-57.4-41.6178.2-73.6-33.9000112.5T196 A203 M204T196-N200 WeakPolarHBondContact O-CB 3.36Å; T196-N200 PolarHBondContact O-N 3.12Å; T196-N200 PolarHBondContact O-ND2 2.87Å; N200-A203 PolarHBondContact O-N 3.22Å; N200-M204 WeakPolarHBondContact O-CB 3.49Å; N200-M204 PolarHBondContact O-N 3.26Å
201Y94.9Very high94.1Very high68 Ų6835.8 Ų35.827%0.26719%0.189SC..Hα-helixtrans-63.5-46.6176.1-175.9-84.9000111.9R172 H173 V197 L198 I199 Q205R172-Y201 HydrophobicContact CB-CD1 3.83Å; R172-Y201 HydrophobicContact CB-CE1 3.87Å; R172-Y201 HydrophobicContact CB-CG 4.43Å; R172-Y201 HydrophobicContact CG-CD1 3.97Å; R172-Y201 HydrophobicContact CG-CE1 4.45Å; R172-Y201 HydrophobicContact CG-CG 4.12Å; R172-Y201 WeakPolarHBondContact O-CE1 3.4Å; H173-Y201 PolarHBondContact CE1-OH 3.49Å; V197-Y201 VanDerWaalsContact O-CB 3.32Å; V197-Y201 WeakPolarHBondContact O-CB 3.48Å; V197-Y201 PolarHBondContact O-N 3.36Å; V197-Y201 VanDerWaalsContact O-N 3.09Å; L198-Y201 PolarHBondContact O-N 3.16Å; I199-Y201 VanDerWaalsContact C-N 3.31Å; I199-Y201 PolarHBondContact O-N 2.94Å; Y201-Q205 HydrophobicContact CD1-CG 4.18Å; Y201-Q205 HydrophobicContact CE1-CG 3.77Å; Y201-Q205 VanDerWaalsContact O-CG 3.31Å; Y201-Q205 WeakPolarHBondContact O-CG 3.43Å; Y201-Q205 PolarHBondContact O-N 2.87Å; Y201-Q205 VanDerWaalsContact O-N 3.13Å
202Q94.6Very high93.9Very high12 Ų1242.4 Ų42.46%0.05622%0.22CC..Hα-helixtrans-68.4-38.3178-71.3-169.6-5.500111.9L171 L198 I199 Q205 R206L171-Q202 PolarHBondContact O-NE2 2.86Å; L198-Q202 HydrophobicContact CD1-CG 4.04Å; L198-Q202 PolarHBondContact O-N 2.97Å; I199-Q202 PolarHBondContact O-N 2.83Å; I199-Q202 VanDerWaalsContact O-N 3.13Å; Q202-Q205 PolarHBondContact O-N 3.49Å; Q202-R206 WeakPolarHBondContact O-CB 3.48Å; Q202-R206 WeakPolarHBondContact O-CG 3.48Å; Q202-R206 PolarHBondContact O-N 3.12Å; Q202-R206 PolarHBondContact O-NE 3.21Å
203A92.4Very high93.3Very high9 Ų946 Ų467%0.07424%0.236CC..Hα-helixtrans-57.1-52.1173.800000111I199 N200 Q205 R206 H207 W256I199-A203 WeakPolarHBondContact O-CB 3.3Å; I199-A203 PolarHBondContact O-N 3.4Å; N200-A203 PolarHBondContact O-N 3.22Å; A203-Q205 PolarHBondContact O-N 3.04Å; A203-R206 CarbonylContact O-C 3.55Å; A203-R206 PolarHBondContact O-N 3.01Å; A203-R206 VanDerWaalsContact O-N 3.12Å; A203-H207 PolarHBondContact O-CD2 3.18Å; A203-H207 PolarHBondContact O-N 3.05Å; A203-W256 HydrophobicContact CB-CE3 4.49Å; A203-W256 HydrophobicContact CB-CZ3 3.98Å; A203-W256 WeakPolarHBondContact O-CH2 3.15Å
204M92.7Very high92.9Very high55 Ų5545.3 Ų45.327%0.27123%0.231SC..Hα-helixtrans-56.3-47.7176.4-172.7-169.478.500112.3N200 R206 H207 N208N200-M204 WeakPolarHBondContact O-CB 3.49Å; N200-M204 PolarHBondContact O-N 3.26Å; M204-R206 VanDerWaalsContact C-N 3.29Å; M204-R206 PolarHBondContact O-N 3.44Å; M204-H207 PolarHBondContact O-N 2.82Å; M204-N208 PolarHBondContact O-N 3.01Å; M204-N208 PolarHBondContact O-ND2 2.91Å
205Q92.6Very high92.5Very high91 Ų9147 Ų4743%0.42524%0.238SC..Hα-helixtrans-63.2-34.7178.5-68.4-62.6106.200112.7Y201 Q202 A203 A209Y201-Q205 HydrophobicContact CD1-CG 4.18Å; Y201-Q205 HydrophobicContact CE1-CG 3.77Å; Y201-Q205 VanDerWaalsContact O-CG 3.31Å; Y201-Q205 WeakPolarHBondContact O-CG 3.43Å; Y201-Q205 PolarHBondContact O-N 2.87Å; Y201-Q205 VanDerWaalsContact O-N 3.13Å; Q202-Q205 PolarHBondContact O-N 3.49Å; A203-Q205 PolarHBondContact O-N 3.04Å; Q205-A209 PolarHBondContact O-N 2.82Å
206R93.4Very high92.2Very high9 Ų957.1 Ų57.13%0.03428%0.276CS..Hα-helixtrans-79.4-33177.2-66.4178.2-64.5-159.44.5112.7Q202 A203 M204 A209 A210 L225 G226 L228 D254 W256Q202-R206 WeakPolarHBondContact O-CB 3.48Å; Q202-R206 WeakPolarHBondContact O-CG 3.48Å; Q202-R206 PolarHBondContact O-N 3.12Å; Q202-R206 PolarHBondContact O-NE 3.21Å; A203-R206 CarbonylContact O-C 3.55Å; A203-R206 PolarHBondContact O-N 3.01Å; A203-R206 VanDerWaalsContact O-N 3.12Å; M204-R206 VanDerWaalsContact C-N 3.29Å; M204-R206 PolarHBondContact O-N 3.44Å; R206-A209 PolarHBondContact O-N 2.82Å; R206-A210 VanDerWaalsContact O-CB 3.28Å; R206-A210 WeakPolarHBondContact O-CB 3.48Å; R206-A210 PolarHBondContact O-N 3.4Å; R206-L225 HydrophobicContact CB-CD1 4.43Å; R206-L225 HydrophobicContact CG-CB 4.35Å; R206-G226 VanDerWaalsContact CD-O 3.29Å; R206-G226 WeakPolarHBondContact CD-O 3.5Å; R206-L228 PolarHBondContact NH1-O 3.35Å; R206-D254 IonicContact CZ-OD1 3.79Å; R206-D254 IonicContact NH2-OD1 3.6Å; R206-D254 PolarHBondContact NH2-OD1 3.43Å; R206-D254 IonicContact NH2-OD2 2.75Å; R206-W256 HydrophobicContact CB-CD2 3.79Å; R206-W256 HydrophobicContact CB-CE3 4.14Å; R206-W256 HydrophobicContact CB-CG 4.48Å; R206-W256 HydrophobicContact CB-CH2 3.69Å; R206-W256 HydrophobicContact CB-CZ2 3.32Å; R206-W256 HydrophobicContact CB-CZ3 4.09Å; R206-W256 HydrophobicContact CG-CD2 4.36Å; R206-W256 VanDerWaalsContact NE-CD2 3.33Å; R206-W256 VanDerWaalsContact NH1-CB 3.27Å
207H91.6Very high91.5Very high78 Ų7865.8 Ų65.836%0.36131%0.308SS..Hα-helixtrans-58.7-49.1169.6-83-64.6000109.8A203 M204 A209 A210 W211 W256A203-H207 PolarHBondContact O-CD2 3.18Å; A203-H207 PolarHBondContact O-N 3.05Å; M204-H207 PolarHBondContact O-N 2.82Å; H207-A209 VanDerWaalsContact C-N 3.29Å; H207-A209 PolarHBondContact O-N 2.75Å; H207-A210 PolarHBondContact O-N 2.72Å; H207-W211 WeakPolarHBondContact O-CB 3.14Å; H207-W211 PolarHBondContact O-N 3.44Å; H207-W256 HydrophobicContact CB-CH2 4.2Å; H207-W256 AromaticContact CD2-CH2 3.51Å; H207-W256 AromaticContact CD2-CZ3 3.8Å; H207-W256 AromaticContact CE1-CH2 3.6Å; H207-W256 AromaticContact CG-CH2 3.54Å; H207-W256 AromaticContact ND1-CH2 3.61Å; H207-W256 AromaticContact NE2-CH2 3.53Å; H207-W256 AromaticContact NE2-CZ3 3.6Å
208N91.6Very high90.9Very high69 Ų6970.2 Ų70.237%0.36932%0.318SS..Hα-helixtrans-58.4-40.8177.7-68.9-19000112.3M204 Q212M204-N208 PolarHBondContact O-N 3.01Å; M204-N208 PolarHBondContact O-ND2 2.91Å; N208-Q212 WeakPolarHBondContact O-CB 3.45Å; N208-Q212 PolarHBondContact O-N 3.04Å
209A89.9Confident90.2Very high33 Ų3378.6 Ų78.627%0.27336%0.355SS..Hα-helixtrans-70.3-43.9176.400000113Q205 R206 H207 Q212 E213 L225Q205-A209 PolarHBondContact O-N 2.82Å; R206-A209 PolarHBondContact O-N 2.82Å; H207-A209 VanDerWaalsContact C-N 3.29Å; H207-A209 PolarHBondContact O-N 2.75Å; A209-Q212 PolarHBondContact O-N 3.21Å; A209-E213 PolarHBondContact O-N 3.08Å; A209-L225 HydrophobicContact CB-CD1 4.44Å; A209-L225 HydrophobicContact CB-CD2 3.76Å
210A90.4Very high89.5Confident10 Ų1079.9 Ų79.98%0.08336%0.363CS..Hα-helixtrans-64.3-42.7177.500000111.7R206 H207 E213 S214 P220 L222 L225 W256R206-A210 VanDerWaalsContact O-CB 3.28Å; R206-A210 WeakPolarHBondContact O-CB 3.48Å; R206-A210 PolarHBondContact O-N 3.4Å; H207-A210 PolarHBondContact O-N 2.72Å; A210-E213 CarbonylContact O-C 3.27Å; A210-E213 PolarHBondContact O-N 3.13Å; A210-S214 WeakPolarHBondContact O-CB 3.31Å; A210-S214 PolarHBondContact O-N 3.14Å; A210-P220 HydrophobicContact CB-CB 3.99Å; A210-P220 HydrophobicContact CB-CG 4.21Å; A210-P220 WeakPolarHBondContact O-CB 3.34Å; A210-L222 HydrophobicContact CB-CD2 3.9Å; A210-L225 HydrophobicContact CB-CD1 3.82Å; A210-W256 HydrophobicContact CB-CZ2 4.46Å
211W90.1Very high89Confident82 Ų8280.8 Ų80.831%0.31137%0.365SS..Hα-helixtrans-61.9-42.8173.5173.592.1000111.2H207 E213 S214 L215 A991H207-W211 WeakPolarHBondContact O-CB 3.14Å; H207-W211 PolarHBondContact O-N 3.44Å; W211-E213 VanDerWaalsContact C-N 3.32Å; W211-E213 PolarHBondContact O-N 3.38Å; W211-S214 PolarHBondContact O-N 3.23Å; W211-S214 PolarHBondContact O-OG 3.16Å; W211-S214 VanDerWaalsContact O-OG 3.04Å; W211-L215 HydrophobicContact CH2-CD1 3.92Å; W211-L215 HydrophobicContact CH2-CD2 4.03Å; W211-L215 HydrophobicContact CH2-CG 4.37Å; W211-L215 HydrophobicContact CZ2-CD1 4.48Å; W211-L215 HydrophobicContact CZ2-CD2 3.73Å; W211-L215 HydrophobicContact CZ2-CG 4.49Å; W211-L215 HydrophobicContact CZ3-CD1 4.16Å; W211-L215 WeakPolarHBondContact O-CG 3.35Å; W211-L215 PolarHBondContact O-N 3.05Å; W211-A991 HydrophobicContact CH2-CB 3.34Å; W211-A991 HydrophobicContact CZ2-CB 3.28Å; W211-A991 HydrophobicContact CZ3-CB 4.4Å
212Q90.3Very high88.5Confident139 Ų13979.5 Ų79.565%0.6536%0.362SS*.Hα-helixtrans-63.4-37.3174.2-172.3-170.1-51.600112.2N208 A209N208-Q212 WeakPolarHBondContact O-CB 3.45Å; N208-Q212 PolarHBondContact O-N 3.04Å; A209-Q212 PolarHBondContact O-N 3.21Å
213E86.5Confident87.9Confident76 Ų7683.6 Ų83.636%0.35539%0.385SS..Hα-helixtrans-71.7-32.9176.4-80-170.3-176.800113.1A209 A210 W211 L215 R218 P220 E221A209-E213 PolarHBondContact O-N 3.08Å; A210-E213 CarbonylContact O-C 3.27Å; A210-E213 PolarHBondContact O-N 3.13Å; W211-E213 VanDerWaalsContact C-N 3.32Å; W211-E213 PolarHBondContact O-N 3.38Å; E213-L215 VanDerWaalsContact C-N 3.33Å; E213-L215 PolarHBondContact O-N 2.89Å; E213-R218 WeakPolarHBondContact O-CB 3.43Å; E213-R218 WeakPolarHBondContact O-CD 3.48Å; E213-P220 HydrophobicContact CB-CB 3.78Å; E213-E221 PolarHBondContact OE2-N 3.42Å
214S87.8Confident87.6Confident31 Ų3191.5 Ų91.522%0.21741%0.413CS..Hα-helixtrans-74.6-20.5-178.973.50000113.9A210 W211 R216 Y217 R218A210-S214 WeakPolarHBondContact O-CB 3.31Å; A210-S214 PolarHBondContact O-N 3.14Å; W211-S214 PolarHBondContact O-N 3.23Å; W211-S214 PolarHBondContact O-OG 3.16Å; W211-S214 VanDerWaalsContact O-OG 3.04Å; S214-R216 PolarHBondContact O-N 3.35Å; S214-Y217 PolarHBondContact O-N 3.42Å; S214-R218 VanDerWaalsContact CA-O 3.25Å; S214-R218 WeakPolarHBondContact CA-O 3.48Å; S214-R218 PolarHBondContact O-N 3.27Å
215L88.1Confident87.3Confident64 Ų6489.9 Ų89.934%0.33541%0.405SS..THydrogen-bonded Turntrans-48.4131.7176.7-66.1-177.8000112.4W211 E213W211-L215 HydrophobicContact CH2-CD1 3.92Å; W211-L215 HydrophobicContact CH2-CD2 4.03Å; W211-L215 HydrophobicContact CH2-CG 4.37Å; W211-L215 HydrophobicContact CZ2-CD1 4.48Å; W211-L215 HydrophobicContact CZ2-CD2 3.73Å; W211-L215 HydrophobicContact CZ2-CG 4.49Å; W211-L215 HydrophobicContact CZ3-CD1 4.16Å; W211-L215 WeakPolarHBondContact O-CG 3.35Å; W211-L215 PolarHBondContact O-N 3.05Å; E213-L215 VanDerWaalsContact C-N 3.33Å; E213-L215 PolarHBondContact O-N 2.89Å
216R90.3Very high87.1Confident213 Ų21387.3 Ų87.380%0.80440%0.403SS*.THydrogen-bonded Turntrans71.145-174.8-47.6177.8176.1-165.4-2.7114.2S214 R218S214-R216 PolarHBondContact O-N 3.35Å; R216-R218 PolarHBondContact O-N 3.39Å
217Y82.5Confident87.1Confident204 Ų20487 Ų8780%0.840%0.402SS*.THydrogen-bonded Turntrans57.936.3174.6-44.4-76.2000113.1S214S214-Y217 PolarHBondContact O-N 3.42Å
218R83Confident87.3Confident153 Ų15383.3 Ų83.358%0.57739%0.385SS*.PPolyproline II helixtrans-93.8153.5173.1-72.8175.1178.5157.9-5108.7E213 S214 R216E213-R218 WeakPolarHBondContact O-CB 3.43Å; E213-R218 WeakPolarHBondContact O-CD 3.48Å; S214-R218 VanDerWaalsContact CA-O 3.25Å; S214-R218 WeakPolarHBondContact CA-O 3.48Å; S214-R218 PolarHBondContact O-N 3.27Å; R216-R218 PolarHBondContact O-N 3.39Å
219F80.2Confident87.4Confident176 Ų17681 Ų8177%0.77237%0.372SS*.PPolyproline II helixtrans-98.2120.6170.8-65.9-76.8000108.4
220P82.5Confident87.6Confident28 Ų2879.5 Ų79.518%0.18236%0.359CS..PPolyproline II helixtrans-69.2134.4179.528.3-33000110.1A210 E213 L222A210-P220 HydrophobicContact CB-CB 3.99Å; A210-P220 HydrophobicContact CB-CG 4.21Å; A210-P220 WeakPolarHBondContact O-CB 3.34Å; E213-P220 HydrophobicContact CB-CB 3.78Å; P220-L222 VanDerWaalsContact C-N 3.34Å; P220-L222 HydrophobicContact CB-CD2 4.42Å; P220-L222 HydrophobicContact CG-CD2 4.25Å; P220-L222 PolarHBondContact O-N 3.18Å
221E83Confident87.8Confident96 Ų9679 Ų7945%0.44936%0.355SS..  trans-86.179.8-179.7-75.7-170.8-122.800109.5E213 D223 R224E213-E221 PolarHBondContact OE2-N 3.42Å; E221-D223 PolarHBondContact O-N 3Å; E221-R224 HydrophobicContact CB-CB 4.35Å; E221-R224 HydrophobicContact CB-CG 3.9Å; E221-R224 VanDerWaalsContact CD-NE 3.29Å; E221-R224 WeakPolarHBondContact O-CB 3.35Å; E221-R224 PolarHBondContact O-N 3.36Å; E221-R224 IonicContact OE1-CZ 3.48Å; E221-R224 IonicContact OE1-NE 3.7Å; E221-R224 IonicContact OE1-NH1 2.78Å; E221-R224 PolarHBondContact OE1-NH1 3.31Å; E221-R224 IonicContact OE1-NH2 3.67Å; E221-R224 PolarHBondContact OE1-NH2 2.9Å; E221-R224 IonicContact OE2-CZ 2.71Å; E221-R224 IonicContact OE2-NE 3.68Å; E221-R224 PolarHBondContact OE2-NE 3.06Å; E221-R224 IonicContact OE2-NH1 3.8Å; E221-R224 IonicContact OE2-NH2 3.6Å; E221-R224 PolarHBondContact OE2-NH2 3.31Å
222L84.8Confident88.1Confident41 Ų4175.1 Ų75.122%0.21534%0.341CS..G310 helixtrans-49.2-33.7-173.8-58.7-178.7000113.8A210 P220 R224 L225 L255 W256A210-L222 HydrophobicContact CB-CD2 3.9Å; P220-L222 VanDerWaalsContact C-N 3.34Å; P220-L222 HydrophobicContact CB-CD2 4.42Å; P220-L222 HydrophobicContact CG-CD2 4.25Å; P220-L222 PolarHBondContact O-N 3.18Å; L222-R224 VanDerWaalsContact C-N 3.31Å; L222-R224 PolarHBondContact O-N 2.98Å; L222-L225 HydrophobicContact CD2-CD1 4.28Å; L222-L225 WeakPolarHBondContact O-CB 3.3Å; L222-L225 PolarHBondContact O-N 3.49Å; L222-L255 HydrophobicContact CD1-CB 4.26Å; L222-W256 HydrophobicContact CD2-CZ2 4.48Å
223D82.3Confident88.3Confident99 Ų9968.5 Ų68.553%0.52931%0.31SS..G310 helixtrans-73.3-15.5178.8-79.1-45.2000115.3E221 K229 K258E221-D223 PolarHBondContact O-N 3Å; D223-K229 PolarHBondContact O-NZ 3.45Å; D223-K229 IonicContact OD1-NZ 2.73Å; D223-K229 PolarHBondContact OD1-NZ 2.94Å; D223-K258 WeakPolarHBondContact OD1-CE 3.48Å
224R85Confident88.6Confident175 Ų17564.9 Ų64.966%0.6629%0.293SS*.G310 helixtrans-82.5-20.4170.8-64.4-171.6-175.4173.56.8112.8E221 L222 G226E221-R224 HydrophobicContact CB-CB 4.35Å; E221-R224 HydrophobicContact CB-CG 3.9Å; E221-R224 VanDerWaalsContact CD-NE 3.29Å; E221-R224 WeakPolarHBondContact O-CB 3.35Å; E221-R224 PolarHBondContact O-N 3.36Å; E221-R224 IonicContact OE1-CZ 3.48Å; E221-R224 IonicContact OE1-NE 3.7Å; E221-R224 IonicContact OE1-NH1 2.78Å; E221-R224 PolarHBondContact OE1-NH1 3.31Å; E221-R224 IonicContact OE1-NH2 3.67Å; E221-R224 PolarHBondContact OE1-NH2 2.9Å; E221-R224 IonicContact OE2-CZ 2.71Å; E221-R224 IonicContact OE2-NE 3.68Å; E221-R224 PolarHBondContact OE2-NE 3.06Å; E221-R224 IonicContact OE2-NH1 3.8Å; E221-R224 IonicContact OE2-NH2 3.6Å; E221-R224 PolarHBondContact OE2-NH2 3.31Å; L222-R224 VanDerWaalsContact C-N 3.31Å; L222-R224 PolarHBondContact O-N 2.98Å; R224-G226 PolarHBondContact O-N 3.13Å
225L88Confident88.9Confident20 Ų2064.6 Ų64.611%0.10529%0.289CS..SBendtrans-71.2124.5179.2-60.6178.1000109.6R206 A209 A210 L222R206-L225 HydrophobicContact CB-CD1 4.43Å; R206-L225 HydrophobicContact CG-CB 4.35Å; A209-L225 HydrophobicContact CB-CD1 4.44Å; A209-L225 HydrophobicContact CB-CD2 3.76Å; A210-L225 HydrophobicContact CB-CD1 3.82Å; L222-L225 HydrophobicContact CD2-CD1 4.28Å; L222-L225 WeakPolarHBondContact O-CB 3.3Å; L222-L225 PolarHBondContact O-N 3.49Å
226G88.5Confident89.2Confident37 Ų3761.7 Ų61.738%0.38127%0.274SS..  trans-72.5160.3-179.900000113P175 R206 R224P175-G226 CarbonylContact O-C 3.41Å; P175-G226 VanDerWaalsContact O-C 3.29Å; P175-G226 WeakPolarHBondContact O-CA 3.42Å; R206-G226 VanDerWaalsContact CD-O 3.29Å; R206-G226 WeakPolarHBondContact CD-O 3.5Å; R224-G226 PolarHBondContact O-N 3.13Å
227G93.1Very high89.4Confident2 Ų255.1 Ų55.12%0.02126%0.258CS..SBendtrans130.2177.3-17500000111.2P175 I177 S178 K229P175-G227 PolarHBondContact O-N 2.9Å; I177-G227 CarbonylContact O-C 3.55Å; I177-G227 VanDerWaalsContact O-C 3.24Å; S178-G227 WeakPolarHBondContact CA-O 3.19Å; G227-K229 PolarHBondContact O-N 3.16Å
228L95Very high90Very high1 Ų150.9 Ų50.91%0.00524%0.244CC..  trans-64.4131.1179-68.2174.2000110.6L171 I177 L180 L198 R206 I231L171-L228 HydrophobicContact CD1-CD1 4.48Å; I177-L228 HydrophobicContact CG2-CD2 4.09Å; I177-L228 PolarHBondContact O-N 3.09Å; L180-L228 HydrophobicContact CB-CD2 3.9Å; L198-L228 HydrophobicContact CD2-CD1 3.62Å; L198-L228 HydrophobicContact CG-CD1 4.42Å; R206-L228 PolarHBondContact NH1-O 3.35Å; L228-I231 HydrophobicContact CB-CD1 4.32Å; L228-I231 HydrophobicContact CB-CG1 4.22Å; L228-I231 HydrophobicContact CD1-CD1 4.04Å; L228-I231 HydrophobicContact CD1-CG1 4.17Å
229K93Very high90.6Very high21 Ų2143.7 Ų43.79%0.09122%0.217CC..SBendtrans-115.4-31.8172.3-65.6-163.8177.6-163.40112.4S178 D223 G227 K258 A259 E349 F350S178-K229 PolarHBondContact O-N 3.27Å; D223-K229 PolarHBondContact O-NZ 3.45Å; D223-K229 IonicContact OD1-NZ 2.73Å; D223-K229 PolarHBondContact OD1-NZ 2.94Å; G227-K229 PolarHBondContact O-N 3.16Å; K229-K258 PolarHBondContact O-N 3.03Å; K229-A259 PolarHBondContact O-N 3.41Å; K229-A259 VanDerWaalsContact O-N 3.08Å; K229-E349 WeakPolarHBondContact CD-OE1 3.44Å; K229-E349 IonicContact NZ-OE1 3.66Å; K229-E349 PolarHBondContact NZ-OE1 3.18Å; K229-F350 HydrophobicContact CB-CE1 4.34Å; K229-F350 HydrophobicContact CB-CE2 3.93Å; K229-F350 HydrophobicContact CB-CZ 3.44Å; K229-F350 VanDerWaalsContact CB-CZ 3.44Å; K229-F350 HydrophobicContact CD-CE2 4.1Å; K229-F350 HydrophobicContact CD-CZ 3.87Å; K229-F350 HydrophobicContact CG-CZ 4.34Å
230R94.2Very high91.3Very high1 Ų137.1 Ų37.10%0.00419%0.193CC..EExtended strand (participates in β ladder)trans-126.6129.7173-174.4164.7-159.3145.8-0.2112.2S178 T179 L180 A259 D261 F350 S351S178-R230 PolarHBondContact O-N 3.15Å; T179-R230 WeakPolarHBondContact CA-O 3.4Å; T179-R230 HydrophobicContact CG2-CB 3.94Å; L180-R230 PolarHBondContact N-O 3.18Å; R230-A259 VanDerWaalsContact CA-O 3.3Å; R230-A259 WeakPolarHBondContact CA-O 3.47Å; R230-A259 HydrophobicContact CB-CB 3.98Å; R230-A259 HydrophobicContact CG-CB 3.63Å; R230-D261 IonicContact CZ-OD1 3.52Å; R230-D261 IonicContact CZ-OD2 2.73Å; R230-D261 VanDerWaalsContact CZ-OD2 3.24Å; R230-D261 IonicContact NE-OD2 3.03Å; R230-D261 PolarHBondContact NE-OD2 3.35Å; R230-D261 IonicContact NH2-OD1 2.67Å; R230-D261 PolarHBondContact NH2-OD1 2.83Å; R230-D261 IonicContact NH2-OD2 2.73Å; R230-D261 PolarHBondContact NH2-OD2 3Å; R230-F350 HydrophobicContact CB-CD1 4.01Å; R230-F350 HydrophobicContact CB-CE1 3.87Å; R230-S351 PolarHBondContact NH1-O 2.9Å; R230-S351 PolarHBondContact NH2-O 2.95Å
231I96.1Very high91.9Very high0 Ų037.7 Ų37.70%019%0.194CC..EExtended strand (participates in β ladder)trans-128.7140.6176.2-45.6171.1000109L195 I199 L228 L233 A259 I260 D261L195-I231 HydrophobicContact CD1-CD1 4.32Å; L195-I231 HydrophobicContact CD1-CG2 4.26Å; L195-I231 HydrophobicContact CD2-CG2 3.93Å; I199-I231 HydrophobicContact CD1-CD1 3.78Å; I199-I231 HydrophobicContact CG1-CD1 4.01Å; L228-I231 HydrophobicContact CB-CD1 4.32Å; L228-I231 HydrophobicContact CB-CG1 4.22Å; L228-I231 HydrophobicContact CD1-CD1 4.04Å; L228-I231 HydrophobicContact CD1-CG1 4.17Å; I231-L233 HydrophobicContact CG2-CG 4.47Å; I231-A259 PolarHBondContact N-O 3.43Å; I231-I260 HydrophobicContact CB-CD1 3.8Å; I231-I260 HydrophobicContact CD1-CD1 4.26Å; I231-I260 HydrophobicContact CG1-CD1 4.26Å; I231-I260 WeakPolarHBondContact O-CA 3.2Å; I231-D261 PolarHBondContact O-N 3.28Å; I231-D261 VanDerWaalsContact O-N 3.13Å
232T95Very high92.5Very high0 Ų037.7 Ų37.70%019%0.194CC..EExtended strand (participates in β ladder)trans-139.7126.2-168.9-62.80000110.8L180 N181 L182 T183 D261 W372L180-T232 PolarHBondContact O-N 3.01Å; L180-T232 VanDerWaalsContact O-N 3.09Å; N181-T232 VanDerWaalsContact OD1-CG2 3.32Å; N181-T232 WeakPolarHBondContact OD1-CG2 3.31Å; L182-T232 WeakPolarHBondContact CB-O 3.36Å; L182-T232 PolarHBondContact N-O 3.28Å; T183-T232 WeakPolarHBondContact OG1-CG2 3.18Å; T232-D261 HydrophobicContact CG2-CB 4.16Å; T232-D261 PolarHBondContact OG1-OD2 3.04Å; T232-D261 VanDerWaalsContact OG1-OD2 3.1Å; T232-W372 VanDerWaalsContact CB-CH2 3.48Å; T232-W372 HydrophobicContact CG2-CH2 3.07Å; T232-W372 HydrophobicContact CG2-CZ2 3.07Å; T232-W372 HydrophobicContact CG2-CZ3 3.92Å; T232-W372 WeakPolarHBondContact OG1-CH2 3.39Å; T232-W372 WeakPolarHBondContact OG1-CZ3 3.41Å
233L95.9Very high93Very high0 Ų035.7 Ų35.70%018%0.184CC..  trans-132.711.1-169.9-62.3169.1000111.8L182 L187 I192 L195 I231 N236 I239 L247 D261 L262 C265L182-L233 HydrophobicContact CB-CD2 4.39Å; L182-L233 HydrophobicContact CD1-CD2 4.21Å; L187-L233 HydrophobicContact CD1-CD2 3.73Å; I192-L233 HydrophobicContact CD1-CD1 3.67Å; I192-L233 HydrophobicContact CD1-CD2 3.99Å; I192-L233 HydrophobicContact CD1-CG 4.44Å; L195-L233 HydrophobicContact CD2-CD1 3.99Å; L195-L233 HydrophobicContact CD2-CD2 4.29Å; I231-L233 HydrophobicContact CG2-CG 4.47Å; L233-N236 WeakPolarHBondContact O-CB 3.42Å; L233-N236 PolarHBondContact O-N 3.07Å; L233-N236 PolarHBondContact O-ND2 2.93Å; L233-I239 HydrophobicContact CB-CD1 3.72Å; L233-I239 HydrophobicContact CD1-CD1 4.3Å; L233-I239 HydrophobicContact CD2-CD1 4.46Å; L233-I239 HydrophobicContact CG-CD1 4.38Å; L233-L247 HydrophobicContact CD1-CD2 3.64Å; L233-D261 PolarHBondContact N-O 3.12Å; L233-L262 HydrophobicContact CB-CD2 3.88Å; L233-L262 HydrophobicContact CD1-CD2 3.98Å; L233-C265 PolarHBondContact O-SG 3.33Å
234N93.4Very high93.7Very high0 Ų031 Ų310%016%0.159CC..THydrogen-bonded Turntrans-45.1145.8-179.6-67.2-19000113.6T183 S184 N236 D261 L262 Q263 L353 Y370T183-N234 CarbonylContact C-O 3.57Å; T183-N234 WeakPolarHBondContact CA-O 3.49Å; T183-N234 HydrophobicContact CG2-CB 4.08Å; S184-N234 PolarHBondContact N-O 2.87Å; N234-N236 PolarHBondContact O-N 3.32Å; N234-N236 PolarHBondContact O-ND2 2.97Å; N234-D261 PolarHBondContact N-O 2.98Å; N234-D261 WeakPolarHBondContact OD1-CB 3.35Å; N234-D261 PolarHBondContact OD1-O 2.81Å; N234-L262 PolarHBondContact OD1-N 2.98Å; N234-Q263 CarbonylContact C-O 3.41Å; N234-Q263 VanDerWaalsContact CA-O 3.31Å; N234-Q263 WeakPolarHBondContact CA-O 3.42Å; N234-Q263 HydrophobicContact CB-CB 4.35Å; N234-Q263 WeakPolarHBondContact OD1-CB 3.25Å; N234-Q263 PolarHBondContact OD1-N 2.88Å; N234-L353 WeakPolarHBondContact ND2-CD1 3.43Å; N234-Y370 HydrophobicContact CB-CD2 4.37Å; N234-Y370 HydrophobicContact CB-CE2 3.48Å; N234-Y370 VanDerWaalsContact CB-CE2 3.48Å; N234-Y370 WeakPolarHBondContact ND2-CD2 3.43Å; N234-Y370 WeakPolarHBondContact ND2-CE2 3.44Å; N234-Y370 VanDerWaalsContact ND2-CZ 3.26Å
235D92.7Very high94.1Very high26 Ų2623.9 Ų23.914%0.13914%0.135CC..THydrogen-bonded Turntrans56.933.8174.7-59.9-79.5000113.4T183 S184 P237 Q263 R323 T368 Y370T183-D235 HydrophobicContact CG2-CB 4.48Å; S184-D235 WeakPolarHBondContact OG-CB 3.23Å; D235-P237 WeakPolarHBondContact O-CD 3.28Å; D235-Q263 PolarHBondContact N-O 3.39Å; D235-R323 VanDerWaalsContact CG-NH1 3.31Å; D235-R323 IonicContact OD1-CZ 3.86Å; D235-R323 IonicContact OD1-NH1 2.68Å; D235-R323 PolarHBondContact OD1-NH1 2.95Å; D235-R323 IonicContact OD1-NH2 2.71Å; D235-R323 PolarHBondContact OD1-NH2 3.08Å; D235-R323 IonicContact OD2-NH1 3.54Å; D235-R323 PolarHBondContact OD2-NH1 3.32Å; D235-T368 PolarHBondContact OD1-OG1 3.22Å; D235-T368 PolarHBondContact OD2-OG1 2.95Å; D235-Y370 WeakPolarHBondContact OD2-CE2 3.22Å; D235-Y370 PolarHBondContact OD2-OH 3.07Å
236N94.8Very high94.4Very high2 Ų225.4 Ų25.41%0.01114%0.141CC..  trans-113.682.4168.1-68.9-74.2000110.1L182 C185 N186 L187 L233 N234 K238 I239L182-N236 PolarHBondContact O-ND2 3.5Å; C185-N236 PolarHBondContact N-OD1 3.47Å; N186-N236 PolarHBondContact N-OD1 3.48Å; L187-N236 HydrophobicContact CB-CB 4.27Å; L187-N236 PolarHBondContact N-OD1 3.13Å; L233-N236 WeakPolarHBondContact O-CB 3.42Å; L233-N236 PolarHBondContact O-N 3.07Å; L233-N236 PolarHBondContact O-ND2 2.93Å; N234-N236 PolarHBondContact O-N 3.32Å; N234-N236 PolarHBondContact O-ND2 2.97Å; N236-K238 PolarHBondContact O-N 3.38Å; N236-K238 VanDerWaalsContact O-N 3.15Å; N236-I239 HydrophobicContact CB-CD1 3.64Å; N236-I239 HydrophobicContact CB-CG1 4.01Å; N236-I239 WeakPolarHBondContact O-CG1 3.29Å; N236-I239 PolarHBondContact O-N 2.91Å
237P94.1Very high94.8Very high75 Ų7523.7 Ų23.749%0.48712%0.123SC..THydrogen-bonded Turntrans-68.8-12.3-171.927.1-36000115.2D235 I239 N266D235-P237 WeakPolarHBondContact O-CD 3.28Å; P237-I239 VanDerWaalsContact C-N 3.3Å; P237-N266 HydrophobicContact CB-CB 3.96Å; P237-N266 VanDerWaalsContact O-CB 3.26Å; P237-N266 WeakPolarHBondContact O-CB 3.42Å
238K95.3Very high94.9Very high116 Ų11623.6 Ų23.650%0.50412%0.122SC..BIsolated β-bridgetrans-82.6-3.7177-64174.2178.2169.40113.7N186 L187 S188 K189 N236N186-K238 PolarHBondContact OD1-NZ 3.17Å; L187-K238 WeakPolarHBondContact O-CB 3.18Å; S188-K238 WeakPolarHBondContact CA-O 3.41Å; K189-K238 PolarHBondContact N-O 3.42Å; K189-K238 VanDerWaalsContact N-O 3.16Å; N236-K238 PolarHBondContact O-N 3.38Å; N236-K238 VanDerWaalsContact O-N 3.15Å
239I96.4Very high94.8Very high1 Ų125 Ų251%0.00513%0.13CC..SBendtrans-65.5-43.2171.8-69.3174.9000110.2I192 L233 N236 P237 G243 L262 C265I192-I239 HydrophobicContact CD1-CD1 3.96Å; I192-I239 HydrophobicContact CD1-CG1 4.15Å; I192-I239 HydrophobicContact CG1-CD1 4.36Å; I192-I239 HydrophobicContact CG1-CG1 4.03Å; I192-I239 HydrophobicContact CG1-CG2 4.13Å; L233-I239 HydrophobicContact CB-CD1 3.72Å; L233-I239 HydrophobicContact CD1-CD1 4.3Å; L233-I239 HydrophobicContact CD2-CD1 4.46Å; L233-I239 HydrophobicContact CG-CD1 4.38Å; N236-I239 HydrophobicContact CB-CD1 3.64Å; N236-I239 HydrophobicContact CB-CG1 4.01Å; N236-I239 WeakPolarHBondContact O-CG1 3.29Å; N236-I239 PolarHBondContact O-N 2.91Å; P237-I239 VanDerWaalsContact C-N 3.3Å; I239-G243 WeakPolarHBondContact O-CA 3.47Å; I239-G243 PolarHBondContact O-N 3.28Å; I239-L262 HydrophobicContact CD1-CD2 4.47Å; I239-C265 HydrophobicContact CB-CB 4.49Å
240C94.8Very high94.8Very high39 Ų3924.5 Ų24.526%0.26413%0.13SC..Hα-helixtrans46.6-167.4-178.878.70000114.2E242 S244 C265 L267C240-E242 VanDerWaalsContact C-N 3.26Å; C240-E242 PolarHBondContact O-N 3.36Å; C240-S244 VanDerWaalsContact O-CB 3.28Å; C240-S244 WeakPolarHBondContact O-CB 3.33Å; C240-S244 PolarHBondContact O-N 3.12Å; C240-C265 PolarHBondContact N-O 2.69Å; C240-L267 WeakPolarHBondContact O-CD2 3.49Å
241D95.2Very high94.9Very high40 Ų4024.4 Ų24.421%0.21413%0.129CC..Hα-helixtrans-67.4-27.9-179.7-69.2-40.7000113.2T245 L267 S268 S271D241-T245 VanDerWaalsContact O-CB 3.25Å; D241-T245 WeakPolarHBondContact O-CB 3.33Å; D241-T245 PolarHBondContact O-N 2.96Å; D241-T245 PolarHBondContact O-OG1 2.93Å; D241-L267 WeakPolarHBondContact OD1-CA 3.2Å; D241-S268 PolarHBondContact OD1-N 3.41Å; D241-S268 VanDerWaalsContact OD2-CB 3.25Å; D241-S268 WeakPolarHBondContact OD2-CB 3.35Å; D241-S268 PolarHBondContact OD2-N 3.06Å; D241-S268 PolarHBondContact OD2-OG 3.33Å; D241-S271 VanDerWaalsContact CA-OG 3.31Å; D241-S271 WeakPolarHBondContact CA-OG 3.41Å; D241-S271 WeakPolarHBondContact OD1-CB 3.39Å; D241-S271 PolarHBondContact OD1-OG 3.25Å
242E94.1Very high94.6Very high95 Ų9525 Ų2544%0.44413%0.133SC..Hα-helixtrans-69-51.8-177.8-161.8-178.4151.500111.3K189 C240 T245 Q246K189-E242 HydrophobicContact CD-CB 4.14Å; K189-E242 HydrophobicContact CD-CG 4.03Å; K189-E242 WeakPolarHBondContact CD-OE1 3.44Å; K189-E242 WeakPolarHBondContact CD-OE2 3.38Å; K189-E242 IonicContact NZ-OE1 2.7Å; K189-E242 PolarHBondContact NZ-OE1 3.39Å; K189-E242 IonicContact NZ-OE2 2.76Å; K189-E242 PolarHBondContact NZ-OE2 3.36Å; C240-E242 VanDerWaalsContact C-N 3.26Å; C240-E242 PolarHBondContact O-N 3.36Å; E242-T245 PolarHBondContact O-N 3.13Å; E242-Q246 WeakPolarHBondContact O-CG 3.45Å; E242-Q246 PolarHBondContact O-N 3.41Å
243G96Very high94.2Very high0 Ų030.4 Ų30.40%016%0.161CC..Hα-helixtrans-66.9-36.3175.600000112.7I192 I239 T245 Q246 L247I192-G243 WeakPolarHBondContact CG2-O 3.38Å; I239-G243 WeakPolarHBondContact O-CA 3.47Å; I239-G243 PolarHBondContact O-N 3.28Å; G243-T245 PolarHBondContact O-N 3.11Å; G243-Q246 PolarHBondContact O-N 3.4Å; G243-L247 WeakPolarHBondContact O-CB 3.36Å; G243-L247 PolarHBondContact O-N 3.22Å
244S96.4Very high94.1Very high0 Ų030.6 Ų30.60%016%0.162CC..Hα-helixtrans-62.5-40.9174173.60000112.3C240 L247 A248 S271 W275C240-S244 VanDerWaalsContact O-CB 3.28Å; C240-S244 WeakPolarHBondContact O-CB 3.33Å; C240-S244 PolarHBondContact O-N 3.12Å; S244-L247 PolarHBondContact O-N 3.31Å; S244-A248 WeakPolarHBondContact O-CB 3.5Å; S244-A248 PolarHBondContact O-N 3.46Å; S244-S271 VanDerWaalsContact CB-OG 3.26Å; S244-S271 WeakPolarHBondContact CB-OG 3.35Å; S244-S271 WeakPolarHBondContact OG-CB 3.46Å; S244-S271 PolarHBondContact OG-OG 3.15Å; S244-W275 PolarHBondContact OG-NE1 3.2Å
245T94.5Very high93.9Very high26 Ų2633 Ų3316%0.1618%0.175CC..Hα-helixtrans-66.8-44.6176.1-60.60000111.4D241 E242 G243 L247 A248 D249 T274D241-T245 VanDerWaalsContact O-CB 3.25Å; D241-T245 WeakPolarHBondContact O-CB 3.33Å; D241-T245 PolarHBondContact O-N 2.96Å; D241-T245 PolarHBondContact O-OG1 2.93Å; E242-T245 PolarHBondContact O-N 3.13Å; G243-T245 PolarHBondContact O-N 3.11Å; T245-L247 VanDerWaalsContact C-N 3.28Å; T245-L247 PolarHBondContact O-N 3.16Å; T245-A248 PolarHBondContact O-N 3.23Å; T245-A248 VanDerWaalsContact O-N 3.16Å; T245-D249 WeakPolarHBondContact O-CB 3.49Å; T245-D249 PolarHBondContact O-N 3.49Å; T245-T274 HydrophobicContact CG2-CG2 4.18Å
246Q94.8Very high93.8Very high51 Ų5131.9 Ų31.924%0.23817%0.168CC..Hα-helixtrans-58.2-38.4174.3-70174.817.800113S193 T196 E242 G243 A250S193-Q246 PolarHBondContact OG-OE1 3.01Å; S193-Q246 VanDerWaalsContact OG-OE1 3.06Å; T196-Q246 PolarHBondContact OG1-O 2.87Å; E242-Q246 WeakPolarHBondContact O-CG 3.45Å; E242-Q246 PolarHBondContact O-N 3.41Å; G243-Q246 PolarHBondContact O-N 3.4Å; Q246-A250 WeakPolarHBondContact O-CB 3.45Å; Q246-A250 PolarHBondContact O-N 3.4Å
247L96.6Very high93.8Very high1 Ų131.8 Ų31.81%0.00517%0.168CC..Hα-helixtrans-71.6-37176.8-17760000112.2I192 L195 I199 L233 G243 S244 T245 A250 L251 I260 L262 W275I192-L247 HydrophobicContact CG2-CB 3.88Å; L195-L247 HydrophobicContact CD2-CD1 4.19Å; I199-L247 HydrophobicContact CD1-CD1 3.44Å; I199-L247 VanDerWaalsContact CD1-CD1 3.44Å; L233-L247 HydrophobicContact CD1-CD2 3.64Å; G243-L247 WeakPolarHBondContact O-CB 3.36Å; G243-L247 PolarHBondContact O-N 3.22Å; S244-L247 PolarHBondContact O-N 3.31Å; T245-L247 VanDerWaalsContact C-N 3.28Å; T245-L247 PolarHBondContact O-N 3.16Å; L247-A250 PolarHBondContact O-N 3.04Å; L247-L251 HydrophobicContact CD1-CD1 3.98Å; L247-L251 HydrophobicContact CG-CD1 4.11Å; L247-L251 WeakPolarHBondContact O-CG 3.26Å; L247-L251 PolarHBondContact O-N 3.48Å; L247-I260 HydrophobicContact CD2-CG2 4.4Å; L247-L262 HydrophobicContact CD2-CD1 4.42Å; L247-W275 HydrophobicContact CD2-CZ2 4.36Å; L247-W275 HydrophobicContact CG-CH2 4.31Å; L247-W275 HydrophobicContact CG-CZ2 4.29Å
248A95.3Very high93.7Very high0 Ų029.5 Ų29.50%015%0.151CC..Hα-helixtrans-67-43.8175.600000111.3S244 T245 A250 L251 I252 T274 W275 V278S244-A248 WeakPolarHBondContact O-CB 3.5Å; S244-A248 PolarHBondContact O-N 3.46Å; T245-A248 PolarHBondContact O-N 3.23Å; T245-A248 VanDerWaalsContact O-N 3.16Å; A248-A250 VanDerWaalsContact C-N 3.27Å; A248-A250 PolarHBondContact O-N 3.12Å; A248-L251 PolarHBondContact O-N 2.88Å; A248-I252 PolarHBondContact O-N 2.8Å; A248-I252 VanDerWaalsContact O-N 3.11Å; A248-T274 HydrophobicContact CB-CG2 3.81Å; A248-W275 HydrophobicContact CB-CD2 4.04Å; A248-W275 HydrophobicContact CB-CE3 4.15Å; A248-W275 HydrophobicContact CB-CH2 4.23Å; A248-W275 HydrophobicContact CB-CZ2 4.08Å; A248-W275 HydrophobicContact CB-CZ3 4.25Å; A248-V278 HydrophobicContact CB-CG2 4.1Å
249D92.2Very high93.6Very high32 Ų3224 Ų2417%0.17113%0.127CC..Hα-helixtrans-58.4-36.1173.5-96.4-2.4000112.6T245 L251 I252 N286T245-D249 WeakPolarHBondContact O-CB 3.49Å; T245-D249 PolarHBondContact O-N 3.49Å; D249-L251 VanDerWaalsContact C-N 3.29Å; D249-L251 PolarHBondContact O-N 3.47Å; D249-I252 WeakPolarHBondContact O-CG2 3.22Å; D249-N286 PolarHBondContact OD2-ND2 2.84Å
250A93.6Very high93.6Very high9 Ų924 Ų247%0.07413%0.126CC..Hα-helixtrans-72.4-20.2176.700000113.9T196 I199 Q246 L247 A248T196-A250 HydrophobicContact CG2-CB 3.63Å; I199-A250 HydrophobicContact CG2-CB 4.44Å; Q246-A250 WeakPolarHBondContact O-CB 3.45Å; Q246-A250 PolarHBondContact O-N 3.4Å; L247-A250 PolarHBondContact O-N 3.04Å; A248-A250 VanDerWaalsContact C-N 3.27Å; A248-A250 PolarHBondContact O-N 3.12Å
251L94.7Very high93.6Very high0 Ų022.1 Ų22.10%011%0.114CC..Hα-helixtrans-110.3-0.4-173.5-70.6171.5000113.4I199 L247 A248 D249 D253 D254 V257 I260 W275 N313I199-L251 HydrophobicContact CD1-CD2 4.31Å; I199-L251 HydrophobicContact CD1-CG 4.46Å; I199-L251 HydrophobicContact CG2-CD2 3.69Å; I199-L251 HydrophobicContact CG2-CG 4.4Å; L247-L251 HydrophobicContact CD1-CD1 3.98Å; L247-L251 HydrophobicContact CG-CD1 4.11Å; L247-L251 WeakPolarHBondContact O-CG 3.26Å; L247-L251 PolarHBondContact O-N 3.48Å; A248-L251 PolarHBondContact O-N 2.88Å; D249-L251 VanDerWaalsContact C-N 3.29Å; D249-L251 PolarHBondContact O-N 3.47Å; L251-D253 VanDerWaalsContact C-N 3.26Å; L251-D253 PolarHBondContact O-N 2.77Å; L251-D254 HydrophobicContact CD2-CB 3.73Å; L251-D254 PolarHBondContact O-N 2.92Å; L251-V257 HydrophobicContact CD2-CB 3.84Å; L251-V257 HydrophobicContact CD2-CG1 4.29Å; L251-V257 HydrophobicContact CD2-CG2 3.73Å; L251-I260 HydrophobicContact CD1-CD1 3.95Å; L251-I260 HydrophobicContact CD1-CG1 3.94Å; L251-W275 HydrophobicContact CD1-CH2 3.95Å; L251-W275 HydrophobicContact CD1-CZ3 4.41Å; L251-N313 PolarHBondContact O-ND2 3.05Å
252I91Very high93.7Very high13 Ų1320.2 Ų20.27%0.06710%0.104CC..SBendtrans-58-38.5-179.5-165.4169.8000112.8A248 D249 V278 R283A248-I252 PolarHBondContact O-N 2.8Å; A248-I252 VanDerWaalsContact O-N 3.11Å; D249-I252 WeakPolarHBondContact O-CG2 3.22Å; I252-V278 HydrophobicContact CB-CG1 4.45Å; I252-V278 HydrophobicContact CB-CG2 4.17Å; I252-V278 HydrophobicContact CD1-CG2 4.31Å; I252-V278 HydrophobicContact CG1-CG2 4.17Å; I252-R283 HydrophobicContact CD1-CB 3.82Å; I252-R283 HydrophobicContact CD1-CG 4.05Å
253D87.3Confident93.6Very high113 Ų11315.7 Ų15.760%0.6048%0.082SC*.SBendtrans-107.51.2-179.5-54.4-47.8000113.6L251L251-D253 VanDerWaalsContact C-N 3.26Å; L251-D253 PolarHBondContact O-N 2.77Å
254D91.8Very high93.5Very high3 Ų316.6 Ų16.62%0.0169%0.09CC..  trans-77.9130.4-178.8-173.897.1000112R206 L251 W256 V257 N313 S315R206-D254 IonicContact CZ-OD1 3.79Å; R206-D254 IonicContact NH2-OD1 3.6Å; R206-D254 PolarHBondContact NH2-OD1 3.43Å; R206-D254 IonicContact NH2-OD2 2.75Å; L251-D254 HydrophobicContact CD2-CB 3.73Å; L251-D254 PolarHBondContact O-N 2.92Å; D254-W256 PolarHBondContact OD2-N 2.99Å; D254-V257 PolarHBondContact OD2-N 2.9Å; D254-N313 PolarHBondContact O-ND2 3.12Å; D254-S315 PolarHBondContact O-OG 3.29Å
255L89.5Confident93.5Very high50 Ų5016.6 Ų16.626%0.2629%0.09SC..SBendtrans-100.9-0.2-174.2-56.1178.6000114.5L222 K258 S315L222-L255 HydrophobicContact CD1-CB 4.26Å; L255-K258 PolarHBondContact O-NZ 3.12Å; L255-S315 WeakPolarHBondContact O-CB 3.37Å
256W91.6Very high93.5Very high3 Ų319.2 Ų19.21%0.01110%0.103CC..SBendtrans-124.5-31-163.5-58.7-86000114.7A203 R206 H207 A210 L222 D254 K258A203-W256 HydrophobicContact CB-CE3 4.49Å; A203-W256 HydrophobicContact CB-CZ3 3.98Å; A203-W256 WeakPolarHBondContact O-CH2 3.15Å; R206-W256 HydrophobicContact CB-CD2 3.79Å; R206-W256 HydrophobicContact CB-CE3 4.14Å; R206-W256 HydrophobicContact CB-CG 4.48Å; R206-W256 HydrophobicContact CB-CH2 3.69Å; R206-W256 HydrophobicContact CB-CZ2 3.32Å; R206-W256 HydrophobicContact CB-CZ3 4.09Å; R206-W256 HydrophobicContact CG-CD2 4.36Å; R206-W256 VanDerWaalsContact NE-CD2 3.33Å; R206-W256 VanDerWaalsContact NH1-CB 3.27Å; H207-W256 HydrophobicContact CB-CH2 4.2Å; H207-W256 AromaticContact CD2-CH2 3.51Å; H207-W256 AromaticContact CD2-CZ3 3.8Å; H207-W256 AromaticContact CE1-CH2 3.6Å; H207-W256 AromaticContact CG-CH2 3.54Å; H207-W256 AromaticContact ND1-CH2 3.61Å; H207-W256 AromaticContact NE2-CH2 3.53Å; H207-W256 AromaticContact NE2-CZ3 3.6Å; A210-W256 HydrophobicContact CB-CZ2 4.46Å; L222-W256 HydrophobicContact CD2-CZ2 4.48Å; D254-W256 PolarHBondContact OD2-N 2.99Å; W256-K258 WeakPolarHBondContact O-CD 3.46Å; W256-K258 WeakPolarHBondContact O-CE 3.42Å; W256-K258 WeakPolarHBondContact O-CG 3.45Å; W256-K258 PolarHBondContact O-N 3.32Å
257V94Very high93.6Very high0 Ų016.8 Ų16.80%09%0.092CC..  trans-67124.7169.2-1780000107.4L251 D254 I260 S315 L316L251-V257 HydrophobicContact CD2-CB 3.84Å; L251-V257 HydrophobicContact CD2-CG1 4.29Å; L251-V257 HydrophobicContact CD2-CG2 3.73Å; D254-V257 PolarHBondContact OD2-N 2.9Å; V257-I260 HydrophobicContact CG1-CD1 3.78Å; V257-I260 HydrophobicContact CG1-CG1 4.07Å; V257-S315 CarbonylContact O-C 3.43Å; V257-S315 PolarHBondContact O-OG 2.77Å; V257-L316 HydrophobicContact CB-CD2 4.38Å; V257-L316 HydrophobicContact CG1-CD2 3.88Å
258K92.2Very high93.5Very high28 Ų2818.1 Ų18.112%0.12210%0.101CC..  trans-110.7-25.5-174.5-54.1-50.6-177.4-177.30112.3D223 K229 L255 W256 S315 V317 V318 F350D223-K258 WeakPolarHBondContact OD1-CE 3.48Å; K229-K258 PolarHBondContact O-N 3.03Å; L255-K258 PolarHBondContact O-NZ 3.12Å; W256-K258 WeakPolarHBondContact O-CD 3.46Å; W256-K258 WeakPolarHBondContact O-CE 3.42Å; W256-K258 WeakPolarHBondContact O-CG 3.45Å; W256-K258 PolarHBondContact O-N 3.32Å; K258-S315 WeakPolarHBondContact CA-O 3.37Å; K258-S315 WeakPolarHBondContact CD-O 3.48Å; K258-V317 HydrophobicContact CB-CG2 4.02Å; K258-V317 WeakPolarHBondContact O-CG2 3.32Å; K258-V317 PolarHBondContact O-N 3.43Å; K258-V318 PolarHBondContact O-N 3Å; K258-V318 VanDerWaalsContact O-N 3.1Å; K258-F350 HydrophobicContact CB-CD2 3.44Å; K258-F350 VanDerWaalsContact CB-CD2 3.44Å; K258-F350 HydrophobicContact CB-CE2 3.49Å; K258-F350 VanDerWaalsContact CB-CE2 3.49Å; K258-F350 HydrophobicContact CG-CD2 4.11Å; K258-F350 HydrophobicContact CG-CE2 3.71Å
259A94.2Very high93.4Very high0 Ų021 Ų210%012%0.116CC..EExtended strand (participates in β ladder)trans-141.4126.3-175.200000113.1K229 R230 I231 V318 F350K229-A259 PolarHBondContact O-N 3.41Å; K229-A259 VanDerWaalsContact O-N 3.08Å; R230-A259 VanDerWaalsContact CA-O 3.3Å; R230-A259 WeakPolarHBondContact CA-O 3.47Å; R230-A259 HydrophobicContact CB-CB 3.98Å; R230-A259 HydrophobicContact CG-CB 3.63Å; I231-A259 PolarHBondContact N-O 3.43Å; A259-V318 CarbonylContact C-O 3.49Å; A259-V318 VanDerWaalsContact CA-O 3.31Å; A259-V318 WeakPolarHBondContact CA-O 3.33Å; A259-V318 HydrophobicContact CB-CB 3.83Å; A259-V318 HydrophobicContact CB-CG1 4.36Å; A259-V318 HydrophobicContact CB-CG2 4.49Å; A259-F350 HydrophobicContact CB-CB 3.92Å; A259-F350 HydrophobicContact CB-CD1 4.33Å; A259-F350 HydrophobicContact CB-CG 3.98Å
260I96.4Very high93.4Very high0 Ų021.5 Ų21.50%012%0.122CC..EExtended strand (participates in β ladder)trans-123.5130.8172-65.8-62.4000109.3I231 L247 L251 V257 L262 W275 L316 V318 L319 D320I231-I260 HydrophobicContact CB-CD1 3.8Å; I231-I260 HydrophobicContact CD1-CD1 4.26Å; I231-I260 HydrophobicContact CG1-CD1 4.26Å; I231-I260 WeakPolarHBondContact O-CA 3.2Å; L247-I260 HydrophobicContact CD2-CG2 4.4Å; L251-I260 HydrophobicContact CD1-CD1 3.95Å; L251-I260 HydrophobicContact CD1-CG1 3.94Å; V257-I260 HydrophobicContact CG1-CD1 3.78Å; V257-I260 HydrophobicContact CG1-CG1 4.07Å; I260-L262 HydrophobicContact CG2-CD1 3.68Å; I260-L262 HydrophobicContact CG2-CG 3.84Å; I260-W275 HydrophobicContact CG1-CH2 4.38Å; I260-W275 HydrophobicContact CG2-CH2 4.25Å; I260-W275 HydrophobicContact CG2-CZ2 4.31Å; I260-L316 HydrophobicContact CG1-CD2 3.89Å; I260-V318 PolarHBondContact N-O 3.5Å; I260-L319 HydrophobicContact CB-CD1 3.82Å; I260-L319 HydrophobicContact CG2-CD1 3.79Å; I260-L319 WeakPolarHBondContact O-CA 3.39Å; I260-D320 PolarHBondContact O-N 3.41Å
261D94.9Very high93.4Very high0 Ų021 Ų210%012%0.119CC..EExtended strand (participates in β ladder)trans-119.3116.2176.2-53.1-88.1000110.7R230 I231 T232 L233 N234 D320 L353 W372R230-D261 IonicContact CZ-OD1 3.52Å; R230-D261 IonicContact CZ-OD2 2.73Å; R230-D261 VanDerWaalsContact CZ-OD2 3.24Å; R230-D261 IonicContact NE-OD2 3.03Å; R230-D261 PolarHBondContact NE-OD2 3.35Å; R230-D261 IonicContact NH2-OD1 2.67Å; R230-D261 PolarHBondContact NH2-OD1 2.83Å; R230-D261 IonicContact NH2-OD2 2.73Å; R230-D261 PolarHBondContact NH2-OD2 3Å; I231-D261 PolarHBondContact O-N 3.28Å; I231-D261 VanDerWaalsContact O-N 3.13Å; T232-D261 HydrophobicContact CG2-CB 4.16Å; T232-D261 PolarHBondContact OG1-OD2 3.04Å; T232-D261 VanDerWaalsContact OG1-OD2 3.1Å; L233-D261 PolarHBondContact N-O 3.12Å; N234-D261 PolarHBondContact N-O 2.98Å; N234-D261 WeakPolarHBondContact OD1-CB 3.35Å; N234-D261 PolarHBondContact OD1-O 2.81Å; D261-D320 HydrophobicContact CB-CB 4.41Å; D261-L353 HydrophobicContact CB-CD1 4.14Å; D261-L353 WeakPolarHBondContact OD1-CD1 3.28Å; D261-W372 HydrophobicContact CB-CH2 4.11Å; D261-W372 WeakPolarHBondContact OD2-CH2 3.4Å
262L96.1Very high93.5Very high0 Ų021 Ų210%012%0.119CC..  trans-129.735.5-174.1-77.8165.9000111.4L233 N234 I239 L247 I260 A264 C265 L267 W275 D320 L321 N324L233-L262 HydrophobicContact CB-CD2 3.88Å; L233-L262 HydrophobicContact CD1-CD2 3.98Å; N234-L262 PolarHBondContact OD1-N 2.98Å; I239-L262 HydrophobicContact CD1-CD2 4.47Å; L247-L262 HydrophobicContact CD2-CD1 4.42Å; I260-L262 HydrophobicContact CG2-CD1 3.68Å; I260-L262 HydrophobicContact CG2-CG 3.84Å; L262-A264 PolarHBondContact O-N 3.4Å; L262-C265 HydrophobicContact CD2-CB 4.31Å; L262-C265 PolarHBondContact O-SG 2.99Å; L262-L267 HydrophobicContact CB-CD1 4.07Å; L262-L267 HydrophobicContact CD1-CD1 4.41Å; L262-W275 HydrophobicContact CD1-CZ2 3.68Å; L262-D320 CarbonylContact C-O 3.28Å; L262-D320 VanDerWaalsContact C-O 3.28Å; L262-D320 WeakPolarHBondContact CA-O 3.41Å; L262-D320 PolarHBondContact N-O 2.96Å; L262-L321 HydrophobicContact CB-CD2 3.96Å; L262-L321 HydrophobicContact CD1-CD2 4.06Å; L262-N324 PolarHBondContact O-ND2 3.3Å
263Q93.6Very high93.6Very high0 Ų020.6 Ų20.60%012%0.117CC..THydrogen-bonded Turntrans-65.2136.4178.8-64.8-174.449.400111N234 D235 C265 D320 R322 R323N234-Q263 CarbonylContact C-O 3.41Å; N234-Q263 VanDerWaalsContact CA-O 3.31Å; N234-Q263 WeakPolarHBondContact CA-O 3.42Å; N234-Q263 HydrophobicContact CB-CB 4.35Å; N234-Q263 WeakPolarHBondContact OD1-CB 3.25Å; N234-Q263 PolarHBondContact OD1-N 2.88Å; D235-Q263 PolarHBondContact N-O 3.39Å; Q263-C265 VanDerWaalsContact C-N 3.3Å; Q263-C265 PolarHBondContact O-N 3.44Å; Q263-C265 PolarHBondContact O-SG 2.88Å; Q263-C265 VanDerWaalsContact O-SG 3.36Å; Q263-D320 HydrophobicContact CG-CB 4.39Å; Q263-D320 WeakPolarHBondContact CG-OD1 3.49Å; Q263-D320 PolarHBondContact N-O 2.81Å; Q263-D320 PolarHBondContact NE2-OD2 2.92Å; Q263-R322 WeakPolarHBondContact CA-O 3.44Å; Q263-R322 WeakPolarHBondContact CB-O 3.16Å; Q263-R322 HydrophobicContact CG-CB 4.39Å; Q263-R323 HydrophobicContact CB-CB 4.43Å; Q263-R323 VanDerWaalsContact OE1-CD 3.29Å
264A92.7Very high93.9Very high19 Ų1915.8 Ų15.816%0.1579%0.092CC..THydrogen-bonded Turntrans51.842.7176.500000114.5L262 R322 R323L262-A264 PolarHBondContact O-N 3.4Å; A264-R322 PolarHBondContact N-O 2.98Å; A264-R323 HydrophobicContact CB-CB 4.04Å
265C95.8Very high94Very high0 Ų015.7 Ų15.70%09%0.091CC..SBendtrans-98.717177.5-63.30000113.2L233 I239 C240 L262 Q263 L267 N324L233-C265 PolarHBondContact O-SG 3.33Å; I239-C265 HydrophobicContact CB-CB 4.49Å; C240-C265 PolarHBondContact N-O 2.69Å; L262-C265 HydrophobicContact CD2-CB 4.31Å; L262-C265 PolarHBondContact O-SG 2.99Å; Q263-C265 VanDerWaalsContact C-N 3.3Å; Q263-C265 PolarHBondContact O-N 3.44Å; Q263-C265 PolarHBondContact O-SG 2.88Å; Q263-C265 VanDerWaalsContact O-SG 3.36Å; C265-L267 HydrophobicContact CB-CD1 4.46Å; C265-L267 HydrophobicContact CB-CD2 4.13Å; C265-L267 HydrophobicContact CB-CG 4.04Å; C265-N324 PolarHBondContact N-OD1 3.41Å
266N95.4Very high94.2Very high82 Ų8213.5 Ų13.544%0.4398%0.08SC..  trans58.842.9-178.5-155.784.2000113.6P237 N324P237-N266 HydrophobicContact CB-CB 3.96Å; P237-N266 VanDerWaalsContact O-CB 3.26Å; P237-N266 WeakPolarHBondContact O-CB 3.42Å; N266-N324 PolarHBondContact N-OD1 3.13Å; N266-N324 VanDerWaalsContact N-OD1 3.13Å
267L96.5Very high94.2Very high0 Ų013.3 Ų13.30%08%0.079CC..  trans-88.2148.8179.7-50.8-174000112.1C240 D241 L262 C265 L321 N324 I327C240-L267 WeakPolarHBondContact O-CD2 3.49Å; D241-L267 WeakPolarHBondContact OD1-CA 3.2Å; L262-L267 HydrophobicContact CB-CD1 4.07Å; L262-L267 HydrophobicContact CD1-CD1 4.41Å; C265-L267 HydrophobicContact CB-CD1 4.46Å; C265-L267 HydrophobicContact CB-CD2 4.13Å; C265-L267 HydrophobicContact CB-CG 4.04Å; L267-L321 HydrophobicContact CD1-CD2 4.09Å; L267-N324 HydrophobicContact CB-CB 4.12Å; L267-N324 PolarHBondContact N-OD1 2.91Å; L267-I327 HydrophobicContact CB-CD1 4.15Å
268S95.1Very high94Very high29 Ų2913.5 Ų13.520%0.2038%0.08CC..BIsolated β-bridgetrans-111.2179.4172.5790000112.8D241 S270 S271 A272 N326D241-S268 PolarHBondContact OD1-N 3.41Å; D241-S268 VanDerWaalsContact OD2-CB 3.25Å; D241-S268 WeakPolarHBondContact OD2-CB 3.35Å; D241-S268 PolarHBondContact OD2-N 3.06Å; D241-S268 PolarHBondContact OD2-OG 3.33Å; S268-S270 PolarHBondContact O-N 2.88Å; S268-S270 VanDerWaalsContact O-N 3.13Å; S268-S270 WeakPolarHBondContact OG-CB 2.94Å; S268-S270 PolarHBondContact OG-N 2.92Å; S268-S271 PolarHBondContact O-N 2.59Å; S268-A272 PolarHBondContact O-N 3.32Å; S268-N326 CarbonylContact C-O 3.53Å; S268-N326 WeakPolarHBondContact CA-O 3.38Å
269D93.8Very high94Very high59 Ų5912.1 Ų12.132%0.3167%0.074SC..Hα-helixtrans-50.9-29.6169.9-78.2-42000113.2A272 S273 N326 S328 L331D269-A272 PolarHBondContact O-N 2.75Å; D269-S273 WeakPolarHBondContact O-CB 3.45Å; D269-S273 PolarHBondContact O-N 3.46Å; D269-N326 PolarHBondContact N-O 3.31Å; D269-N326 VanDerWaalsContact N-O 3.07Å; D269-S328 VanDerWaalsContact OD1-CB 3.25Å; D269-S328 WeakPolarHBondContact OD1-CB 3.38Å; D269-S328 PolarHBondContact OD1-N 3.29Å; D269-S328 PolarHBondContact OD1-OG 2.81Å; D269-S328 WeakPolarHBondContact OD2-CB 3.41Å; D269-L331 HydrophobicContact CB-CD2 3.88Å; D269-L331 WeakPolarHBondContact O-CD2 3.27Å; D269-L331 WeakPolarHBondContact OD1-CD2 3.33Å
270S91.9Very high93.7Very high43 Ų4313.1 Ų13.130%0.3018%0.079SC..Hα-helixtrans-57.1-53.5176.3-174.50000111.9S268 A272 S273 T274S268-S270 PolarHBondContact O-N 2.88Å; S268-S270 VanDerWaalsContact O-N 3.13Å; S268-S270 WeakPolarHBondContact OG-CB 2.94Å; S268-S270 PolarHBondContact OG-N 2.92Å; S270-A272 VanDerWaalsContact C-N 3.32Å; S270-A272 PolarHBondContact O-N 2.7Å; S270-S273 WeakPolarHBondContact O-CB 3.23Å; S270-S273 PolarHBondContact O-N 3.36Å; S270-T274 PolarHBondContact O-N 2.7Å; S270-T274 PolarHBondContact O-OG1 3.07Å
271S94Very high93.1Very high0 Ų014.8 Ų14.80%010%0.096CC..Hα-helixtrans-57.9-43.5174.2-810000112.8D241 S244 S268 S273 T274 W275D241-S271 VanDerWaalsContact CA-OG 3.31Å; D241-S271 WeakPolarHBondContact CA-OG 3.41Å; D241-S271 WeakPolarHBondContact OD1-CB 3.39Å; D241-S271 PolarHBondContact OD1-OG 3.25Å; S244-S271 VanDerWaalsContact CB-OG 3.26Å; S244-S271 WeakPolarHBondContact CB-OG 3.35Å; S244-S271 WeakPolarHBondContact OG-CB 3.46Å; S244-S271 PolarHBondContact OG-OG 3.15Å; S268-S271 PolarHBondContact O-N 2.59Å; S271-S273 VanDerWaalsContact C-N 3.31Å; S271-S273 PolarHBondContact O-N 2.81Å; S271-T274 WeakPolarHBondContact O-CB 3.37Å; S271-T274 PolarHBondContact O-N 3.27Å; S271-W275 PolarHBondContact O-N 3.36Å
272A95Very high92.6Very high0 Ų017 Ų170%011%0.108CC..Hα-helixtrans-69.7-32.5-175.300000111.6S268 D269 S270 L276 L321 I327 L331 V335S268-A272 PolarHBondContact O-N 3.32Å; D269-A272 PolarHBondContact O-N 2.75Å; S270-A272 VanDerWaalsContact C-N 3.32Å; S270-A272 PolarHBondContact O-N 2.7Å; A272-L276 WeakPolarHBondContact O-CB 3.21Å; A272-L276 PolarHBondContact O-N 2.82Å; A272-L321 HydrophobicContact CB-CD1 4.06Å; A272-I327 HydrophobicContact CB-CD1 4.21Å; A272-I327 HydrophobicContact CB-CG1 4.45Å; A272-I327 HydrophobicContact CB-CG2 3.66Å; A272-L331 HydrophobicContact CB-CD2 3.65Å; A272-L331 HydrophobicContact CB-CG 3.67Å; A272-V335 HydrophobicContact CB-CG2 4.39Å; A272-V335 VanDerWaalsContact O-CG2 3.29Å; A272-V335 WeakPolarHBondContact O-CG2 3.28Å
273S93.1Very high91.7Very high4 Ų424.3 Ų24.33%0.02814%0.135CC..Hα-helixtrans-63-46168.3-89.40000111.5D269 S270 S271 L276 A277 M291 I296D269-S273 WeakPolarHBondContact O-CB 3.45Å; D269-S273 PolarHBondContact O-N 3.46Å; S270-S273 WeakPolarHBondContact O-CB 3.23Å; S270-S273 PolarHBondContact O-N 3.36Å; S271-S273 VanDerWaalsContact C-N 3.31Å; S271-S273 PolarHBondContact O-N 2.81Å; S273-L276 PolarHBondContact O-N 2.89Å; S273-A277 WeakPolarHBondContact O-CB 3.38Å; S273-A277 PolarHBondContact O-N 2.82Å; S273-M291 WeakPolarHBondContact CB-O 3.47Å; S273-M291 PolarHBondContact OG-O 2.9Å; S273-I296 WeakPolarHBondContact O-CD1 3.37Å; S273-I296 WeakPolarHBondContact OG-CD1 3.4Å
274T93.7Very high90.8Very high12 Ų1225.3 Ų25.37%0.07414%0.14CC..Hα-helixtrans-59.7-46.7174.9-55.80000111.9T245 A248 S270 S271 L276 A277 V278T245-T274 HydrophobicContact CG2-CG2 4.18Å; A248-T274 HydrophobicContact CB-CG2 3.81Å; S270-T274 PolarHBondContact O-N 2.7Å; S270-T274 PolarHBondContact O-OG1 3.07Å; S271-T274 WeakPolarHBondContact O-CB 3.37Å; S271-T274 PolarHBondContact O-N 3.27Å; T274-L276 PolarHBondContact O-N 2.69Å; T274-A277 WeakPolarHBondContact O-CB 3.41Å; T274-A277 PolarHBondContact O-N 3.31Å; T274-V278 WeakPolarHBondContact O-CG2 3.45Å; T274-V278 PolarHBondContact O-N 2.84Å
275W95Very high89.5Confident0 Ų028.9 Ų28.90%016%0.162CC..Hα-helixtrans-62.7-41176.5-82.2112.9000112.9S244 L247 A248 L251 I260 L262 S271 A277 V278 L279 L316 L319 L321 V335S244-W275 PolarHBondContact OG-NE1 3.2Å; L247-W275 HydrophobicContact CD2-CZ2 4.36Å; L247-W275 HydrophobicContact CG-CH2 4.31Å; L247-W275 HydrophobicContact CG-CZ2 4.29Å; A248-W275 HydrophobicContact CB-CD2 4.04Å; A248-W275 HydrophobicContact CB-CE3 4.15Å; A248-W275 HydrophobicContact CB-CH2 4.23Å; A248-W275 HydrophobicContact CB-CZ2 4.08Å; A248-W275 HydrophobicContact CB-CZ3 4.25Å; L251-W275 HydrophobicContact CD1-CH2 3.95Å; L251-W275 HydrophobicContact CD1-CZ3 4.41Å; I260-W275 HydrophobicContact CG1-CH2 4.38Å; I260-W275 HydrophobicContact CG2-CH2 4.25Å; I260-W275 HydrophobicContact CG2-CZ2 4.31Å; L262-W275 HydrophobicContact CD1-CZ2 3.68Å; S271-W275 PolarHBondContact O-N 3.36Å; W275-A277 VanDerWaalsContact C-N 3.33Å; W275-V278 PolarHBondContact O-N 3.04Å; W275-L279 VanDerWaalsContact O-CG 3.29Å; W275-L279 WeakPolarHBondContact O-CG 3.27Å; W275-L279 PolarHBondContact O-N 2.93Å; W275-L316 HydrophobicContact CZ3-CD1 3.9Å; W275-L319 HydrophobicContact CB-CD2 3.76Å; W275-L319 HydrophobicContact CD2-CD1 3.92Å; W275-L319 HydrophobicContact CD2-CD2 3.59Å; W275-L319 HydrophobicContact CD2-CG 4.4Å; W275-L319 HydrophobicContact CE3-CD1 3.93Å; W275-L319 HydrophobicContact CE3-CD2 3.46Å; W275-L319 VanDerWaalsContact CE3-CD2 3.46Å; W275-L319 HydrophobicContact CE3-CG 4.37Å; W275-L319 HydrophobicContact CG-CD2 3.74Å; W275-L319 HydrophobicContact CH2-CD1 4.18Å; W275-L319 HydrophobicContact CZ2-CD1 4.2Å; W275-L319 HydrophobicContact CZ3-CD1 4.06Å; W275-L319 HydrophobicContact CZ3-CD2 4.26Å; W275-L321 HydrophobicContact CB-CD1 4.3Å; W275-L321 HydrophobicContact CG-CD1 4.28Å; W275-V335 HydrophobicContact CB-CG1 4.47Å
276L93.2Very high87.7Confident4 Ų434.5 Ų34.52%0.02119%0.192CC..Hα-helixtrans-62.8-42.3174.8-174.860.4000111.2A272 S273 T274 L279 I280 I296 L331 A334 V335 R338A272-L276 WeakPolarHBondContact O-CB 3.21Å; A272-L276 PolarHBondContact O-N 2.82Å; S273-L276 PolarHBondContact O-N 2.89Å; T274-L276 PolarHBondContact O-N 2.69Å; L276-L279 PolarHBondContact O-N 3.17Å; L276-I280 HydrophobicContact CD1-CD1 3.85Å; L276-I280 HydrophobicContact CG-CD1 3.89Å; L276-I280 WeakPolarHBondContact O-CD1 3.47Å; L276-I280 VanDerWaalsContact O-CG1 3.26Å; L276-I280 WeakPolarHBondContact O-CG1 3.27Å; L276-I280 PolarHBondContact O-N 3.37Å; L276-I280 VanDerWaalsContact O-N 3.17Å; L276-I296 HydrophobicContact CB-CD1 4.49Å; L276-I296 HydrophobicContact CD2-CD1 4.3Å; L276-I296 HydrophobicContact CD2-CG2 3.97Å; L276-I296 HydrophobicContact CG-CG2 4.04Å; L276-L331 HydrophobicContact CB-CD1 4.42Å; L276-L331 HydrophobicContact CD2-CD1 3.76Å; L276-A334 HydrophobicContact CD1-CB 4.3Å; L276-A334 HydrophobicContact CD2-CB 4.13Å; L276-V335 HydrophobicContact CB-CG2 3.88Å; L276-V335 HydrophobicContact CD1-CG2 4.48Å; L276-R338 HydrophobicContact CD1-CB 4.19Å
277A90.8Very high85.7Confident0 Ų033 Ų330%020%0.196CC..Hα-helixtrans-63.1-4617700000111.8S273 T274 W275 L279 I280 G281 L282 I284S273-A277 WeakPolarHBondContact O-CB 3.38Å; S273-A277 PolarHBondContact O-N 2.82Å; T274-A277 WeakPolarHBondContact O-CB 3.41Å; T274-A277 PolarHBondContact O-N 3.31Å; W275-A277 VanDerWaalsContact C-N 3.33Å; A277-L279 PolarHBondContact O-N 3.05Å; A277-I280 CarbonylContact O-C 3.43Å; A277-I280 WeakPolarHBondContact O-CA 3.43Å; A277-I280 PolarHBondContact O-N 3.18Å; A277-G281 PolarHBondContact O-N 3.48Å; A277-L282 CarbonylContact C-O 3.56Å; A277-L282 VanDerWaalsContact C-O 3.28Å; A277-L282 HydrophobicContact CB-CB 4Å; A277-L282 WeakPolarHBondContact CB-O 3.22Å; A277-L282 PolarHBondContact O-N 3.14Å; A277-I284 HydrophobicContact CB-CD1 3.78Å; A277-I284 HydrophobicContact CB-CG1 3.7Å
278V91.4Very high83.5Confident3 Ų341.3 Ų41.32%0.01824%0.241CC..Hα-helixtrans-57.7-45.8174.7160.20000112.3A248 I252 T274 W275 I280 G281 N313A248-V278 HydrophobicContact CB-CG2 4.1Å; I252-V278 HydrophobicContact CB-CG1 4.45Å; I252-V278 HydrophobicContact CB-CG2 4.17Å; I252-V278 HydrophobicContact CD1-CG2 4.31Å; I252-V278 HydrophobicContact CG1-CG2 4.17Å; T274-V278 WeakPolarHBondContact O-CG2 3.45Å; T274-V278 PolarHBondContact O-N 2.84Å; W275-V278 PolarHBondContact O-N 3.04Å; V278-I280 PolarHBondContact O-N 2.9Å; V278-G281 PolarHBondContact O-N 2.95Å; V278-N313 HydrophobicContact CG1-CB 4.16Å; V278-N313 PolarHBondContact O-N 3.43Å; V278-N313 VanDerWaalsContact O-N 3.12Å
279L91.5Very high81.7Confident0 Ų047.1 Ų47.10%027%0.265CS..Hα-helixtrans-68.3-13.6176.6-66.2170.6000113.5W275 L276 A277 L316 L319 V335 R338 A339W275-L279 VanDerWaalsContact O-CG 3.29Å; W275-L279 WeakPolarHBondContact O-CG 3.27Å; W275-L279 PolarHBondContact O-N 2.93Å; L276-L279 PolarHBondContact O-N 3.17Å; A277-L279 PolarHBondContact O-N 3.05Å; L279-L316 HydrophobicContact CD2-CB 3.9Å; L279-L316 HydrophobicContact CD2-CD1 4.31Å; L279-L319 HydrophobicContact CD1-CD2 3.97Å; L279-V335 HydrophobicContact CD1-CG1 4.24Å; L279-R338 HydrophobicContact CB-CB 4.45Å; L279-R338 HydrophobicContact CB-CG 3.55Å; L279-R338 HydrophobicContact CD1-CB 4.28Å; L279-R338 HydrophobicContact CD1-CG 4.23Å; L279-R338 HydrophobicContact CG-CG 4.49Å; L279-R338 VanDerWaalsContact O-CZ 3.28Å; L279-R338 PolarHBondContact O-NE 3Å; L279-R338 PolarHBondContact O-NH2 3.01Å; L279-A339 HydrophobicContact CD1-CB 4.25Å
280I87.3Confident80Confident21 Ų2148 Ų4811%0.10828%0.275CS..Hα-helixtrans-104.4-9.4175.9-63.9169.3000111.8L276 A277 V278 L282 I296 R311 R338L276-I280 HydrophobicContact CD1-CD1 3.85Å; L276-I280 HydrophobicContact CG-CD1 3.89Å; L276-I280 WeakPolarHBondContact O-CD1 3.47Å; L276-I280 VanDerWaalsContact O-CG1 3.26Å; L276-I280 WeakPolarHBondContact O-CG1 3.27Å; L276-I280 PolarHBondContact O-N 3.37Å; L276-I280 VanDerWaalsContact O-N 3.17Å; A277-I280 CarbonylContact O-C 3.43Å; A277-I280 WeakPolarHBondContact O-CA 3.43Å; A277-I280 PolarHBondContact O-N 3.18Å; V278-I280 PolarHBondContact O-N 2.9Å; I280-L282 HydrophobicContact CG2-CD1 4.28Å; I280-L282 HydrophobicContact CG2-CG 4.24Å; I280-I296 HydrophobicContact CD1-CG2 4.02Å; I280-R311 CarbonylContact C-O 3.33Å; I280-R311 CarbonylContact O-C 3.51Å; I280-R338 HydrophobicContact CG1-CG 4.33Å
281G83.8Confident78.7Confident34 Ų3446.6 Ų46.635%0.35126%0.264SS..THydrogen-bonded Turntrans81.524.7-178.500000113.9A277 V278A277-G281 PolarHBondContact O-N 3.48Å; V278-G281 PolarHBondContact O-N 2.95Å
282L84.2Confident77.6Confident47 Ų4750 Ų5025%0.24629%0.285CS..PPolyproline II helixtrans-99.1118.9171-63.4177.6000108.8A277 I280 I296 K299A277-L282 CarbonylContact C-O 3.56Å; A277-L282 VanDerWaalsContact C-O 3.28Å; A277-L282 HydrophobicContact CB-CB 4Å; A277-L282 WeakPolarHBondContact CB-O 3.22Å; A277-L282 PolarHBondContact O-N 3.14Å; I280-L282 HydrophobicContact CG2-CD1 4.28Å; I280-L282 HydrophobicContact CG2-CG 4.24Å; L282-I296 HydrophobicContact CD1-CG2 4.45Å; L282-K299 HydrophobicContact CD1-CB 3.97Å
283R78.6Confident76.4Confident153 Ų15352.2 Ų52.258%0.57730%0.296SS*.PPolyproline II helixtrans-81.1120.6167.6-163173.9-165.5129.711.1108.7I252I252-R283 HydrophobicContact CD1-CB 3.82Å; I252-R283 HydrophobicContact CD1-CG 4.05Å
284I74Confident75.3Confident22 Ų2257.1 Ų57.111%0.11332%0.321CS..PPolyproline II helixtrans-81.4126.6170.3-54.6-172.2000107A277 N286A277-I284 HydrophobicContact CB-CD1 3.78Å; A277-I284 HydrophobicContact CB-CG1 3.7Å; I284-N286 PolarHBondContact O-N 3.24Å
285P65.1Low74.5Confident94 Ų9460.9 Ų60.961%0.6134%0.338SS*.PPolyproline II helixtrans-65.4130.3173.926.3-32.5000109.8G287P285-G287 PolarHBondContact O-N 3.05Å
286N58.5Low73.6Confident117 Ų11760.9 Ų60.963%0.62634%0.338SS*.SBendtrans-64.5123.4-178.8-74.9-30.4000110.8D249 I284D249-N286 PolarHBondContact OD2-ND2 2.84Å; I284-N286 PolarHBondContact O-N 3.24Å
287G53.6Low72.5Confident52 Ų5264.3 Ų64.354%0.53635%0.354SS..SBendtrans115.6116.417600000114.8P285 Q289P285-G287 PolarHBondContact O-N 3.05Å; G287-Q289 VanDerWaalsContact C-N 3.31Å; G287-Q289 PolarHBondContact O-N 3.23Å
288N49.7Very low71.4Confident174 Ų17468.7 Ų68.793%0.9338%0.377SS*.SBendtrans68.8-6.1154.6-52.9-19.3000119.7
289Q56.8Low70.3Confident150 Ų15073.6 Ų73.670%0.70140%0.398SS*.  trans-121.388.1173-65.4-174.325.300112G287 M291G287-Q289 VanDerWaalsContact C-N 3.31Å; G287-Q289 PolarHBondContact O-N 3.23Å; Q289-M291 PolarHBondContact O-N 3.42Å
290S58.5Low69.1Low78 Ų7875.1 Ų75.155%0.54541%0.408SS..  trans-66.999.3166.4170.70000109.1T292S290-T292 PolarHBondContact O-N 3.05Å
291M65.4Low67.8Low14 Ų1479.3 Ų79.37%0.06943%0.431CS..  trans-62.5129.7173.6-61.4-154.6-36.400110S273 Q289 E295 I296 K299S273-M291 WeakPolarHBondContact CB-O 3.47Å; S273-M291 PolarHBondContact OG-O 2.9Å; Q289-M291 PolarHBondContact O-N 3.42Å; M291-E295 WeakPolarHBondContact CA-OE2 3.35Å; M291-E295 HydrophobicContact CB-CB 4.32Å; M291-I296 HydrophobicContact CB-CG1 4.03Å; M291-I296 HydrophobicContact CE-CB 4.31Å; M291-I296 HydrophobicContact CE-CG1 3.44Å; M291-I296 VanDerWaalsContact CE-CG1 3.44Å; M291-K299 HydrophobicContact CE-CD 3.92Å; M291-K299 HydrophobicContact SD-CD 3.71Å; M291-K299 PolarHBondContact SD-NZ 3.39Å
292T69.8Low66.4Low71 Ų7187.4 Ų87.444%0.43645%0.451SS..  trans-65.7154.6171.960.80000110.2S290 D294 E295 I296S290-T292 PolarHBondContact O-N 3.05Å; T292-D294 PolarHBondContact O-N 3.17Å; T292-E295 PolarHBondContact N-OE2 3.14Å; T292-E295 PolarHBondContact O-N 2.91Å; T292-E295 WeakPolarHBondContact OG1-CB 3.37Å; T292-E295 VanDerWaalsContact OG1-CD 3.27Å; T292-E295 VanDerWaalsContact OG1-CG 3.23Å; T292-E295 WeakPolarHBondContact OG1-CG 3.46Å; T292-E295 PolarHBondContact OG1-N 3.45Å; T292-E295 PolarHBondContact OG1-OE2 3.48Å; T292-I296 PolarHBondContact O-N 3.35Å
293H69.5Low64.9Low47 Ų4787 Ų8722%0.21845%0.452CS..Hα-helixtrans-49.9-39.6172173.3-93.3000112.1I296 H297 L331 A334H293-I296 PolarHBondContact O-N 3.1Å; H293-H297 AromaticContact CD2-CD2 3.97Å; H293-H297 AromaticContact CE1-CD2 3.25Å; H293-H297 PolarHBondContact CE1-CD2 3.45Å; H293-H297 AromaticContact CE1-NE2 3.46Å; H293-H297 PolarHBondContact CE1-NE2 3.02Å; H293-H297 AromaticContact ND1-CD2 3.73Å; H293-H297 AromaticContact NE2-CD2 3.42Å; H293-H297 PolarHBondContact NE2-CD2 3.44Å; H293-H297 AromaticContact NE2-NE2 3.36Å; H293-H297 PolarHBondContact NE2-NE2 3.25Å; H293-H297 PolarHBondContact O-CD2 3.42Å; H293-H297 PolarHBondContact O-N 3.08Å; H293-L331 HydrophobicContact CB-CD1 4.29Å; H293-A334 WeakPolarHBondContact NE2-CB 3.41Å
294D71.5Confident63.4Low107 Ų10784.4 Ų84.457%0.57246%0.457SS*.Hα-helixtrans-69.8-36.9179.8-63.6-12.4000112.1T292 H297 L298T292-D294 PolarHBondContact O-N 3.17Å; D294-H297 PolarHBondContact O-N 3.48Å; D294-L298 VanDerWaalsContact O-CB 3.29Å; D294-L298 WeakPolarHBondContact O-CB 3.46Å; D294-L298 WeakPolarHBondContact O-CD1 3.46Å; D294-L298 WeakPolarHBondContact O-CG 3.41Å; D294-L298 PolarHBondContact O-N 3.21Å
295E76.5Confident62.1Low90 Ų9087.2 Ų87.242%0.42148%0.476SS..Hα-helixtrans-67.5-38.1172.3-75163.2156.400112.7M291 T292 L298 K299M291-E295 WeakPolarHBondContact CA-OE2 3.35Å; M291-E295 HydrophobicContact CB-CB 4.32Å; T292-E295 PolarHBondContact N-OE2 3.14Å; T292-E295 PolarHBondContact O-N 2.91Å; T292-E295 WeakPolarHBondContact OG1-CB 3.37Å; T292-E295 VanDerWaalsContact OG1-CD 3.27Å; T292-E295 VanDerWaalsContact OG1-CG 3.23Å; T292-E295 WeakPolarHBondContact OG1-CG 3.46Å; T292-E295 PolarHBondContact OG1-N 3.45Å; T292-E295 PolarHBondContact OG1-OE2 3.48Å; E295-L298 PolarHBondContact O-N 2.96Å; E295-K299 WeakPolarHBondContact O-CB 3.33Å; E295-K299 WeakPolarHBondContact O-CG 3.29Å; E295-K299 PolarHBondContact O-N 3.24Å
296I75Confident61.1Low0 Ų090.4 Ų90.40%049%0.486CS..Hα-helixtrans-61.9-47.6172.8-64.1165.1000109.7S273 L276 I280 L282 M291 T292 H293 L298 K299 S300S273-I296 WeakPolarHBondContact O-CD1 3.37Å; S273-I296 WeakPolarHBondContact OG-CD1 3.4Å; L276-I296 HydrophobicContact CB-CD1 4.49Å; L276-I296 HydrophobicContact CD2-CD1 4.3Å; L276-I296 HydrophobicContact CD2-CG2 3.97Å; L276-I296 HydrophobicContact CG-CG2 4.04Å; I280-I296 HydrophobicContact CD1-CG2 4.02Å; L282-I296 HydrophobicContact CD1-CG2 4.45Å; M291-I296 HydrophobicContact CB-CG1 4.03Å; M291-I296 HydrophobicContact CE-CB 4.31Å; M291-I296 HydrophobicContact CE-CG1 3.44Å; M291-I296 VanDerWaalsContact CE-CG1 3.44Å; T292-I296 PolarHBondContact O-N 3.35Å; H293-I296 PolarHBondContact O-N 3.1Å; I296-L298 PolarHBondContact O-N 2.79Å; I296-K299 PolarHBondContact O-N 3Å; I296-S300 WeakPolarHBondContact O-CB 3.3Å; I296-S300 PolarHBondContact O-N 3.02Å
297H70.5Confident60.7Low77 Ų7789.6 Ų89.636%0.35648%0.481SS..Hα-helixtrans-62.6-40175.2-94.3-78.2000113H293 D294 S300 N301H293-H297 AromaticContact CD2-CD2 3.97Å; H293-H297 AromaticContact CE1-CD2 3.25Å; H293-H297 PolarHBondContact CE1-CD2 3.45Å; H293-H297 AromaticContact CE1-NE2 3.46Å; H293-H297 PolarHBondContact CE1-NE2 3.02Å; H293-H297 AromaticContact ND1-CD2 3.73Å; H293-H297 AromaticContact NE2-CD2 3.42Å; H293-H297 PolarHBondContact NE2-CD2 3.44Å; H293-H297 AromaticContact NE2-NE2 3.36Å; H293-H297 PolarHBondContact NE2-NE2 3.25Å; H293-H297 PolarHBondContact O-CD2 3.42Å; H293-H297 PolarHBondContact O-N 3.08Å; D294-H297 PolarHBondContact O-N 3.48Å; H297-S300 PolarHBondContact O-N 3.27Å; H297-N301 VanDerWaalsContact O-CB 3.3Å; H297-N301 WeakPolarHBondContact O-CB 3.45Å; H297-N301 PolarHBondContact O-N 3.36Å; H297-N301 PolarHBondContact O-ND2 2.99Å
298L68.3Low60.4Low92 Ų9289.2 Ų89.248%0.48247%0.467SS..Hα-helixtrans-64.9-41.9175.9-79.5161.8000111.7D294 E295 I296 R302D294-L298 VanDerWaalsContact O-CB 3.29Å; D294-L298 WeakPolarHBondContact O-CB 3.46Å; D294-L298 WeakPolarHBondContact O-CD1 3.46Å; D294-L298 WeakPolarHBondContact O-CG 3.41Å; D294-L298 PolarHBondContact O-N 3.21Å; E295-L298 PolarHBondContact O-N 2.96Å; I296-L298 PolarHBondContact O-N 2.79Å; L298-R302 WeakPolarHBondContact O-CB 3.48Å; L298-R302 WeakPolarHBondContact O-CG 3.47Å; L298-R302 PolarHBondContact O-N 3.01Å
299K69Low60.4Low106 Ų10689 Ų8946%0.46146%0.46SS..Hα-helixtrans-68.2-41.4175.4-74-175-178-176.60111.8L282 M291 E295 I296 R302 S303L282-K299 HydrophobicContact CD1-CB 3.97Å; M291-K299 HydrophobicContact CE-CD 3.92Å; M291-K299 HydrophobicContact SD-CD 3.71Å; M291-K299 PolarHBondContact SD-NZ 3.39Å; E295-K299 WeakPolarHBondContact O-CB 3.33Å; E295-K299 WeakPolarHBondContact O-CG 3.29Å; E295-K299 PolarHBondContact O-N 3.24Å; I296-K299 PolarHBondContact O-N 3Å; K299-R302 PolarHBondContact O-N 3.39Å; K299-S303 PolarHBondContact O-N 3.19Å
300S66.3Low60.2Low31 Ų3189.4 Ų89.422%0.21746%0.462CS..Hα-helixtrans-59.7-48.4173.1-178.20000111.6I296 H297 R302 S303I296-S300 WeakPolarHBondContact O-CB 3.3Å; I296-S300 PolarHBondContact O-N 3.02Å; H297-S300 PolarHBondContact O-N 3.27Å; S300-R302 VanDerWaalsContact C-N 3.3Å; S300-R302 PolarHBondContact O-N 3.12Å; S300-S303 VanDerWaalsContact O-CB 3.27Å; S300-S303 WeakPolarHBondContact O-CB 3.32Å; S300-S303 PolarHBondContact O-N 2.96Å
301N58.5Low60.4Low110 Ų11091.8 Ų91.859%0.58846%0.459SS*.Hα-helixtrans-68-26.1179.2-71.4-25.1000113.6H297 S303 S304H297-N301 VanDerWaalsContact O-CB 3.3Å; H297-N301 WeakPolarHBondContact O-CB 3.45Å; H297-N301 PolarHBondContact O-N 3.36Å; H297-N301 PolarHBondContact O-ND2 2.99Å; N301-S303 PolarHBondContact O-N 3.44Å; N301-S304 WeakPolarHBondContact O-CB 3.49Å
302R55.7Low61.2Low204 Ų20492.2 Ų92.277%0.7747%0.467SS*.Hα-helixtrans-70.7-17.4172.5-76.6171.8-172.4-1614112.8L298 K299 S300 S304L298-R302 WeakPolarHBondContact O-CB 3.48Å; L298-R302 WeakPolarHBondContact O-CG 3.47Å; L298-R302 PolarHBondContact O-N 3.01Å; K299-R302 PolarHBondContact O-N 3.39Å; S300-R302 VanDerWaalsContact C-N 3.3Å; S300-R302 PolarHBondContact O-N 3.12Å; R302-S304 VanDerWaalsContact C-N 3.29Å; R302-S304 PolarHBondContact O-N 3Å
303S51.6Low62Low37 Ų3789 Ų8926%0.25945%0.447SS..THydrogen-bonded Turntrans-81.81.3-179.5-166.80000114.6K299 S300 N301 T305 D308K299-S303 PolarHBondContact O-N 3.19Å; S300-S303 VanDerWaalsContact O-CB 3.27Å; S300-S303 WeakPolarHBondContact O-CB 3.32Å; S300-S303 PolarHBondContact O-N 2.96Å; N301-S303 PolarHBondContact O-N 3.44Å; S303-T305 PolarHBondContact O-N 2.95Å; S303-T305 PolarHBondContact O-OG1 3.09Å; S303-D308 WeakPolarHBondContact CB-OD1 3.36Å; S303-D308 VanDerWaalsContact O-OD1 3.07Å; S303-D308 PolarHBondContact OG-OD1 3.18Å
304S48Very low62.9Low99 Ų9991.4 Ų91.469%0.69246%0.458SS*.  trans-46.512.1-166.763.60000121.8N301 R302 D308N301-S304 WeakPolarHBondContact O-CB 3.49Å; R302-S304 VanDerWaalsContact C-N 3.29Å; R302-S304 PolarHBondContact O-N 3Å; S304-D308 WeakPolarHBondContact CA-OD2 3.38Å; S304-D308 PolarHBondContact N-OD2 3.49Å
305T45.6Very low63.7Low81 Ų8186.4 Ų86.450%0.49743%0.432SS..SBendtrans-51.2153.9153.758.60000112.6S303 D307 D308S303-T305 PolarHBondContact O-N 2.95Å; S303-T305 PolarHBondContact O-OG1 3.09Å; T305-D307 PolarHBondContact O-N 2.9Å; T305-D308 PolarHBondContact O-N 3.37Å
306I44.2Very low64.5Low161 Ų16182.1 Ų82.183%0.82641%0.412SS*.G310 helixtrans-64.5-15.8-171-68.2167.6000112.8D308I306-D308 PolarHBondContact O-N 3.15Å
307D50.2Low65.2Low100 Ų10082.9 Ų82.954%0.53542%0.416SS..G310 helixtrans-83.8-6.1-173.4-49.9-34.6000114.1T305 Q309 H310T305-D307 PolarHBondContact O-N 2.9Å; D307-Q309 PolarHBondContact O-N 3.04Å; D307-H310 PolarHBondContact O-N 3.35Å
308D48.8Very low66.2Low44 Ų4479.2 Ų79.224%0.23540%0.4CS..G310 helixtrans-56.4-18.6-177.8-83.6-14.3000114.6S303 S304 T305 I306 H310S303-D308 WeakPolarHBondContact CB-OD1 3.36Å; S303-D308 VanDerWaalsContact O-OD1 3.07Å; S303-D308 PolarHBondContact OG-OD1 3.18Å; S304-D308 WeakPolarHBondContact CA-OD2 3.38Å; S304-D308 PolarHBondContact N-OD2 3.49Å; T305-D308 PolarHBondContact O-N 3.37Å; I306-D308 PolarHBondContact O-N 3.15Å; D308-H310 PolarHBondContact O-N 3.41Å
309Q48.7Very low67.5Low169 Ų16974.9 Ų74.979%0.7938%0.377SS*.G310 helixtrans-71.1-16.2175-71.3-173.9-22.500113.9D307D307-Q309 PolarHBondContact O-N 3.04Å
310H51.7Low68.6Low159 Ų15969.9 Ų69.974%0.73636%0.355SS*.G310 helixtrans-118.87.6-178-5895.2000113.6D307 D308D307-H310 PolarHBondContact O-N 3.35Å; D308-H310 PolarHBondContact O-N 3.41Å
311R64.3Low70Confident129 Ų12968.4 Ų68.449%0.48735%0.345SS..SBendtrans-84.7125.1174.5-71.6-176.8175.8-99.2-1.5111.2I280 R338I280-R311 CarbonylContact C-O 3.33Å; I280-R311 CarbonylContact O-C 3.51Å; R311-R338 PolarHBondContact O-NH2 3.35Å
312G80.7Confident71.6Confident23 Ų2366.5 Ų66.524%0.23733%0.33CS..SBendtrans102.1-178.7173.100000116.1H314G312-H314 PolarHBondContact O-N 2.95Å
313N88.4Confident73.2Confident3 Ų361.7 Ų61.72%0.01631%0.311CS..  trans-67.2107.1176.4-172.9-54.8000109.9L251 D254 V278 S315 L316 N342L251-N313 PolarHBondContact O-ND2 3.05Å; D254-N313 PolarHBondContact O-ND2 3.12Å; V278-N313 HydrophobicContact CG1-CB 4.16Å; V278-N313 PolarHBondContact O-N 3.43Å; V278-N313 VanDerWaalsContact O-N 3.12Å; N313-S315 PolarHBondContact ND2-OG 3.15Å; N313-S315 PolarHBondContact OD1-N 3.11Å; N313-S315 PolarHBondContact OD1-OG 2.74Å; N313-S315 VanDerWaalsContact OD1-OG 3.06Å; N313-L316 HydrophobicContact CB-CD1 4.43Å; N313-L316 WeakPolarHBondContact OD1-CB 3.32Å; N313-L316 WeakPolarHBondContact OD1-CG 3.12Å; N313-L316 PolarHBondContact OD1-N 2.93Å; N313-N342 PolarHBondContact O-ND2 3.4Å
314H86.8Confident75.3Confident97 Ų9760.2 Ų60.245%0.44930%0.301SS..  trans-99-0.8174.57280.3000113G312G312-H314 PolarHBondContact O-N 2.95Å
315S89.3Confident77.4Confident3 Ų360.7 Ų60.72%0.02130%0.301CS..SBendtrans-85.2-32.7-179.672.90000112.7D254 L255 V257 K258 N313 V317D254-S315 PolarHBondContact O-OG 3.29Å; L255-S315 WeakPolarHBondContact O-CB 3.37Å; V257-S315 CarbonylContact O-C 3.43Å; V257-S315 PolarHBondContact O-OG 2.77Å; K258-S315 WeakPolarHBondContact CA-O 3.37Å; K258-S315 WeakPolarHBondContact CD-O 3.48Å; N313-S315 PolarHBondContact ND2-OG 3.15Å; N313-S315 PolarHBondContact OD1-N 3.11Å; N313-S315 PolarHBondContact OD1-OG 2.74Å; N313-S315 VanDerWaalsContact OD1-OG 3.06Å; S315-V317 PolarHBondContact O-N 2.86Å
316L92.2Very high79.7Confident0 Ų061.1 Ų61.10%030%0.301CS..  trans-71105.9177.8-71.5171.5000110.4V257 I260 W275 L279 N313 N342V257-L316 HydrophobicContact CB-CD2 4.38Å; V257-L316 HydrophobicContact CG1-CD2 3.88Å; I260-L316 HydrophobicContact CG1-CD2 3.89Å; W275-L316 HydrophobicContact CZ3-CD1 3.9Å; L279-L316 HydrophobicContact CD2-CB 3.9Å; L279-L316 HydrophobicContact CD2-CD1 4.31Å; N313-L316 HydrophobicContact CB-CD1 4.43Å; N313-L316 WeakPolarHBondContact OD1-CB 3.32Å; N313-L316 WeakPolarHBondContact OD1-CG 3.12Å; N313-L316 PolarHBondContact OD1-N 2.93Å; L316-N342 WeakPolarHBondContact O-CB 3.38Å; L316-N342 PolarHBondContact O-ND2 3.2Å
317V90.7Very high82.1Confident15 Ų1554.1 Ų54.19%0.09127%0.265CS..  trans-105.6-13.3-179.6-670000113.1K258 S315 N342 T348K258-V317 HydrophobicContact CB-CG2 4.02Å; K258-V317 WeakPolarHBondContact O-CG2 3.32Å; K258-V317 PolarHBondContact O-N 3.43Å; S315-V317 PolarHBondContact O-N 2.86Å; V317-N342 HydrophobicContact CG1-CB 4.27Å; V317-T348 HydrophobicContact CB-CG2 3.95Å; V317-T348 HydrophobicContact CG1-CG2 4.15Å; V317-T348 HydrophobicContact CG2-CG2 3.85Å
318V91.3Very high84.1Confident1 Ų151.6 Ų51.61%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-134120172.3176.50000108.4K258 A259 I260 F350 W352K258-V318 PolarHBondContact O-N 3Å; K258-V318 VanDerWaalsContact O-N 3.1Å; A259-V318 CarbonylContact C-O 3.49Å; A259-V318 VanDerWaalsContact CA-O 3.31Å; A259-V318 WeakPolarHBondContact CA-O 3.33Å; A259-V318 HydrophobicContact CB-CB 3.83Å; A259-V318 HydrophobicContact CB-CG1 4.36Å; A259-V318 HydrophobicContact CB-CG2 4.49Å; I260-V318 PolarHBondContact N-O 3.5Å; V318-F350 HydrophobicContact CG2-CB 4.3Å; V318-F350 WeakPolarHBondContact CG2-O 3.26Å; V318-W352 HydrophobicContact CG1-CD2 3.91Å; V318-W352 HydrophobicContact CG1-CE3 3.96Å; V318-W352 HydrophobicContact CG1-CG 4.36Å; V318-W352 HydrophobicContact CG1-CZ2 4.49Å; V318-W352 HydrophobicContact CG1-CZ3 4.3Å; V318-W352 HydrophobicContact CG2-CD2 4.39Å; V318-W352 HydrophobicContact CG2-CG 4.38Å
319L94.9Very high86.2Confident1 Ų159.8 Ų59.81%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-135.9101.5172.5177.960.8000109.3I260 W275 L279 L321 V335 A339 W352I260-L319 HydrophobicContact CB-CD1 3.82Å; I260-L319 HydrophobicContact CG2-CD1 3.79Å; I260-L319 WeakPolarHBondContact O-CA 3.39Å; W275-L319 HydrophobicContact CB-CD2 3.76Å; W275-L319 HydrophobicContact CD2-CD1 3.92Å; W275-L319 HydrophobicContact CD2-CD2 3.59Å; W275-L319 HydrophobicContact CD2-CG 4.4Å; W275-L319 HydrophobicContact CE3-CD1 3.93Å; W275-L319 HydrophobicContact CE3-CD2 3.46Å; W275-L319 VanDerWaalsContact CE3-CD2 3.46Å; W275-L319 HydrophobicContact CE3-CG 4.37Å; W275-L319 HydrophobicContact CG-CD2 3.74Å; W275-L319 HydrophobicContact CH2-CD1 4.18Å; W275-L319 HydrophobicContact CZ2-CD1 4.2Å; W275-L319 HydrophobicContact CZ3-CD1 4.06Å; W275-L319 HydrophobicContact CZ3-CD2 4.26Å; L279-L319 HydrophobicContact CD1-CD2 3.97Å; L319-L321 HydrophobicContact CD1-CD2 3.94Å; L319-L321 HydrophobicContact CG-CD2 4.13Å; L319-L321 HydrophobicContact CG-CG 4.19Å; L319-L321 PolarHBondContact O-N 3.41Å; L319-V335 HydrophobicContact CD2-CG1 3.63Å; L319-V335 HydrophobicContact CG-CG1 4.24Å; L319-A339 HydrophobicContact CB-CB 4.23Å; L319-W352 VanDerWaalsContact O-CH2 3.3Å; L319-W352 WeakPolarHBondContact O-CH2 3.16Å; L319-W352 VanDerWaalsContact O-CZ3 3.25Å; L319-W352 WeakPolarHBondContact O-CZ3 3.34Å
320D93.2Very high88.2Confident0 Ų055.8 Ų55.80%027%0.267CS..EExtended strand (participates in β ladder)trans-100.888.6-168.6-163.7-7.3000112.7I260 D261 L262 Q263 R322 W352I260-D320 PolarHBondContact O-N 3.41Å; D261-D320 HydrophobicContact CB-CB 4.41Å; L262-D320 CarbonylContact C-O 3.28Å; L262-D320 VanDerWaalsContact C-O 3.28Å; L262-D320 WeakPolarHBondContact CA-O 3.41Å; L262-D320 PolarHBondContact N-O 2.96Å; Q263-D320 HydrophobicContact CG-CB 4.39Å; Q263-D320 WeakPolarHBondContact CG-OD1 3.49Å; Q263-D320 PolarHBondContact N-O 2.81Å; Q263-D320 PolarHBondContact NE2-OD2 2.92Å; D320-R322 WeakPolarHBondContact OD1-CB 3.27Å; D320-R322 WeakPolarHBondContact OD1-CG 3.39Å; D320-R322 IonicContact OD1-CZ 3.22Å; D320-R322 PolarHBondContact OD1-N 3.13Å; D320-R322 IonicContact OD1-NE 2.78Å; D320-R322 PolarHBondContact OD1-NE 3Å; D320-R322 IonicContact OD1-NH2 2.76Å; D320-R322 PolarHBondContact OD1-NH2 3.5Å; D320-R322 IonicContact OD2-CZ 3.51Å; D320-R322 IonicContact OD2-NE 2.74Å; D320-R322 IonicContact OD2-NH2 3.45Å; D320-R322 PolarHBondContact OD2-NH2 3.13Å; D320-W352 HydrophobicContact CB-CE3 4.31Å; D320-W352 HydrophobicContact CB-CZ3 4.16Å
321L95.3Very high90.2Very high1 Ų148.4 Ų48.41%0.00523%0.233CC..  trans-91.410.3176.7-51.2-172.9000113.5L262 L267 A272 W275 L319 N324 I327 L332 V335L262-L321 HydrophobicContact CB-CD2 3.96Å; L262-L321 HydrophobicContact CD1-CD2 4.06Å; L267-L321 HydrophobicContact CD1-CD2 4.09Å; A272-L321 HydrophobicContact CB-CD1 4.06Å; W275-L321 HydrophobicContact CB-CD1 4.3Å; W275-L321 HydrophobicContact CG-CD1 4.28Å; L319-L321 HydrophobicContact CD1-CD2 3.94Å; L319-L321 HydrophobicContact CG-CD2 4.13Å; L319-L321 HydrophobicContact CG-CG 4.19Å; L319-L321 PolarHBondContact O-N 3.41Å; L321-N324 PolarHBondContact O-ND2 3.32Å; L321-I327 HydrophobicContact CB-CD1 3.88Å; L321-I327 HydrophobicContact CD1-CD1 4.38Å; L321-L332 HydrophobicContact CB-CD1 3.8Å; L321-V335 HydrophobicContact CD1-CG1 3.92Å; L321-V335 HydrophobicContact CD1-CG2 4.48Å; L321-V335 HydrophobicContact CG-CG1 4.45Å
322R92.4Very high91.6Very high70 Ų7044 Ų4426%0.26422%0.218SC..THydrogen-bonded Turntrans-65.7165.3-175.8-63.4176.6-65.1177.91.7111.7Q263 A264 D320 N324 L332 L353Q263-R322 WeakPolarHBondContact CA-O 3.44Å; Q263-R322 WeakPolarHBondContact CB-O 3.16Å; Q263-R322 HydrophobicContact CG-CB 4.39Å; A264-R322 PolarHBondContact N-O 2.98Å; D320-R322 WeakPolarHBondContact OD1-CB 3.27Å; D320-R322 WeakPolarHBondContact OD1-CG 3.39Å; D320-R322 IonicContact OD1-CZ 3.22Å; D320-R322 PolarHBondContact OD1-N 3.13Å; D320-R322 IonicContact OD1-NE 2.78Å; D320-R322 PolarHBondContact OD1-NE 3Å; D320-R322 IonicContact OD1-NH2 2.76Å; D320-R322 PolarHBondContact OD1-NH2 3.5Å; D320-R322 IonicContact OD2-CZ 3.51Å; D320-R322 IonicContact OD2-NE 2.74Å; D320-R322 IonicContact OD2-NH2 3.45Å; D320-R322 PolarHBondContact OD2-NH2 3.13Å; R322-N324 PolarHBondContact O-N 3.33Å; R322-N324 VanDerWaalsContact O-N 3.11Å; R322-L332 HydrophobicContact CG-CD2 4.49Å; R322-L353 PolarHBondContact NH2-O 3.09Å
323R89.9Confident92.1Very high102 Ų10248.5 Ų48.539%0.38523%0.228SC..THydrogen-bonded Turntrans61.39.4-176-55.9177.654.7-140.4-9.9115.8D235 Q263 A264 P325 T368 Y370D235-R323 VanDerWaalsContact CG-NH1 3.31Å; D235-R323 IonicContact OD1-CZ 3.86Å; D235-R323 IonicContact OD1-NH1 2.68Å; D235-R323 PolarHBondContact OD1-NH1 2.95Å; D235-R323 IonicContact OD1-NH2 2.71Å; D235-R323 PolarHBondContact OD1-NH2 3.08Å; D235-R323 IonicContact OD2-NH1 3.54Å; D235-R323 PolarHBondContact OD2-NH1 3.32Å; Q263-R323 HydrophobicContact CB-CB 4.43Å; Q263-R323 VanDerWaalsContact OE1-CD 3.29Å; A264-R323 HydrophobicContact CB-CB 4.04Å; R323-P325 WeakPolarHBondContact O-CD 3.18Å; R323-T368 PolarHBondContact NH1-OG1 3.31Å; R323-Y370 PolarHBondContact NH1-OH 2.96Å
324N94.4Very high92.3Very high7 Ų748.9 Ų48.94%0.03723%0.232CC..  trans-89.4111.5164.6-67.8-66.1000108.4L262 C265 N266 L267 L321 R322 N326 I327L262-N324 PolarHBondContact O-ND2 3.3Å; C265-N324 PolarHBondContact N-OD1 3.41Å; N266-N324 PolarHBondContact N-OD1 3.13Å; N266-N324 VanDerWaalsContact N-OD1 3.13Å; L267-N324 HydrophobicContact CB-CB 4.12Å; L267-N324 PolarHBondContact N-OD1 2.91Å; L321-N324 PolarHBondContact O-ND2 3.32Å; R322-N324 PolarHBondContact O-N 3.33Å; R322-N324 VanDerWaalsContact O-N 3.11Å; N324-N326 VanDerWaalsContact C-N 3.28Å; N324-N326 PolarHBondContact O-N 3.09Å; N324-I327 HydrophobicContact CB-CD1 3.61Å; N324-I327 HydrophobicContact CB-CG1 3.86Å
325P91.9Very high92.6Very high109 Ų10944.3 Ų44.371%0.70821%0.21SC*.THydrogen-bonded Turntrans-73.1-19.7-170.728.9-35.2000113.8R323 I327R323-P325 WeakPolarHBondContact O-CD 3.18Å; P325-I327 VanDerWaalsContact C-N 3.33Å
326N93.7Very high92.7Very high90 Ų9045.9 Ų45.948%0.48122%0.22SC..BIsolated β-bridgetrans-92.510.5-176.2-57-14.4000112.9S268 D269 N324S268-N326 CarbonylContact C-O 3.53Å; S268-N326 WeakPolarHBondContact CA-O 3.38Å; D269-N326 PolarHBondContact N-O 3.31Å; D269-N326 VanDerWaalsContact N-O 3.07Å; N324-N326 VanDerWaalsContact C-N 3.28Å; N324-N326 PolarHBondContact O-N 3.09Å
327I94.6Very high92.6Very high14 Ų1450 Ų507%0.07224%0.239CC..SBendtrans-100.3124.5171.3-50.9178.4000108.8L267 A272 L321 N324 P325 L332L267-I327 HydrophobicContact CB-CD1 4.15Å; A272-I327 HydrophobicContact CB-CD1 4.21Å; A272-I327 HydrophobicContact CB-CG1 4.45Å; A272-I327 HydrophobicContact CB-CG2 3.66Å; L321-I327 HydrophobicContact CB-CD1 3.88Å; L321-I327 HydrophobicContact CD1-CD1 4.38Å; N324-I327 HydrophobicContact CB-CD1 3.61Å; N324-I327 HydrophobicContact CB-CG1 3.86Å; P325-I327 VanDerWaalsContact C-N 3.33Å; I327-L332 HydrophobicContact CG2-CB 3.93Å
328S93.4Very high92.5Very high47 Ų4751.7 Ų51.733%0.32924%0.244SC..  trans-58.5144.6172.565.30000111.8D269 D330 L331 L332D269-S328 VanDerWaalsContact OD1-CB 3.25Å; D269-S328 WeakPolarHBondContact OD1-CB 3.38Å; D269-S328 PolarHBondContact OD1-N 3.29Å; D269-S328 PolarHBondContact OD1-OG 2.81Å; D269-S328 WeakPolarHBondContact OD2-CB 3.41Å; S328-D330 VanDerWaalsContact C-N 3.25Å; S328-D330 PolarHBondContact O-N 3.37Å; S328-L331 PolarHBondContact O-N 2.83Å; S328-L331 WeakPolarHBondContact OG-CB 3.41Å; S328-L332 WeakPolarHBondContact O-CB 3.3Å; S328-L332 PolarHBondContact O-N 3.05Å
329R92.5Very high92.5Very high216 Ų21651.7 Ų51.782%0.81524%0.244SC*.Hα-helixtrans-64.3-31.4-175.7-72.1-174.417484.14.4113R333R329-R333 WeakPolarHBondContact O-CB 3.21Å; R329-R333 PolarHBondContact O-N 2.9Å; R329-R333 VanDerWaalsContact O-N 3.07Å
330D91.5Very high92.1Very high85 Ų8555.4 Ų55.446%0.45526%0.264SS..Hα-helixtrans-74.7-43.3-179.6-64-70.3000111.6S328 R333 A334S328-D330 VanDerWaalsContact C-N 3.25Å; S328-D330 PolarHBondContact O-N 3.37Å; D330-R333 WeakPolarHBondContact O-CB 3.35Å; D330-R333 PolarHBondContact O-N 3.17Å; D330-R333 IonicContact OD1-CZ 3.41Å; D330-R333 IonicContact OD1-NH1 2.69Å; D330-R333 PolarHBondContact OD1-NH1 3.29Å; D330-R333 IonicContact OD1-NH2 3.43Å; D330-R333 PolarHBondContact OD1-NH2 2.84Å; D330-A334 PolarHBondContact O-N 3.49Å
331L92.8Very high91.8Very high4 Ų460.6 Ų60.62%0.02129%0.29CS..Hα-helixtrans-67.5-41.4175.3-174.454.9000111.8D269 A272 L276 H293 S328 R333 A334 V335D269-L331 HydrophobicContact CB-CD2 3.88Å; D269-L331 WeakPolarHBondContact O-CD2 3.27Å; D269-L331 WeakPolarHBondContact OD1-CD2 3.33Å; A272-L331 HydrophobicContact CB-CD2 3.65Å; A272-L331 HydrophobicContact CB-CG 3.67Å; L276-L331 HydrophobicContact CB-CD1 4.42Å; L276-L331 HydrophobicContact CD2-CD1 3.76Å; H293-L331 HydrophobicContact CB-CD1 4.29Å; S328-L331 PolarHBondContact O-N 2.83Å; S328-L331 WeakPolarHBondContact OG-CB 3.41Å; L331-R333 VanDerWaalsContact C-N 3.26Å; L331-R333 PolarHBondContact O-N 3.47Å; L331-A334 PolarHBondContact O-N 3.32Å; L331-V335 HydrophobicContact CD1-CG2 4.48Å; L331-V335 WeakPolarHBondContact O-CG2 3.37Å; L331-V335 PolarHBondContact O-N 3.11Å
332L93.8Very high91.4Very high36 Ų3661.8 Ų61.819%0.18830%0.296CS..Hα-helixtrans-59.8-37.6172.9-179.263.3000111.9L321 R322 I327 S328 T336L321-L332 HydrophobicContact CB-CD1 3.8Å; R322-L332 HydrophobicContact CG-CD2 4.49Å; I327-L332 HydrophobicContact CG2-CB 3.93Å; S328-L332 WeakPolarHBondContact O-CB 3.3Å; S328-L332 PolarHBondContact O-N 3.05Å; L332-T336 WeakPolarHBondContact O-CB 3.34Å; L332-T336 PolarHBondContact O-N 3.17Å; L332-T336 VanDerWaalsContact O-N 3.14Å; L332-T336 PolarHBondContact O-OG1 2.77Å
333R92.1Very high90.8Very high118 Ų11859.2 Ų59.245%0.44529%0.289SS..Hα-helixtrans-65.7-49.4173.7-178.9-18068.6-111.1-5.8110.9R329 D330 L331 V335 T336 E337R329-R333 WeakPolarHBondContact O-CB 3.21Å; R329-R333 PolarHBondContact O-N 2.9Å; R329-R333 VanDerWaalsContact O-N 3.07Å; D330-R333 WeakPolarHBondContact O-CB 3.35Å; D330-R333 PolarHBondContact O-N 3.17Å; D330-R333 IonicContact OD1-CZ 3.41Å; D330-R333 IonicContact OD1-NH1 2.69Å; D330-R333 PolarHBondContact OD1-NH1 3.29Å; D330-R333 IonicContact OD1-NH2 3.43Å; D330-R333 PolarHBondContact OD1-NH2 2.84Å; L331-R333 VanDerWaalsContact C-N 3.26Å; L331-R333 PolarHBondContact O-N 3.47Å; R333-V335 PolarHBondContact O-N 3.39Å; R333-T336 PolarHBondContact O-N 3.19Å; R333-T336 VanDerWaalsContact O-N 3.14Å; R333-E337 VanDerWaalsContact CD-OE1 3.26Å; R333-E337 WeakPolarHBondContact CD-OE1 3.28Å; R333-E337 HydrophobicContact CG-CG 4.14Å; R333-E337 WeakPolarHBondContact CG-OE1 3.45Å; R333-E337 IonicContact NE-OE1 3.18Å; R333-E337 WeakPolarHBondContact O-CB 3.45Å; R333-E337 WeakPolarHBondContact O-CG 3.41Å; R333-E337 PolarHBondContact O-N 2.91Å
334A91.2Very high90.1Very high11 Ų1161.2 Ų61.29%0.09130%0.303CS..Hα-helixtrans-58.6-45.5-179.600000112.7L276 H293 D330 L331 T336 E337 R338L276-A334 HydrophobicContact CD1-CB 4.3Å; L276-A334 HydrophobicContact CD2-CB 4.13Å; H293-A334 WeakPolarHBondContact NE2-CB 3.41Å; D330-A334 PolarHBondContact O-N 3.49Å; L331-A334 PolarHBondContact O-N 3.32Å; A334-T336 PolarHBondContact O-N 2.73Å; A334-E337 PolarHBondContact O-N 2.88Å; A334-R338 WeakPolarHBondContact O-CB 3.3Å; A334-R338 PolarHBondContact O-N 2.78Å
335V93.4Very high88.7Confident0 Ų064.4 Ų64.40%034%0.338CS..Hα-helixtrans-59.8-45.8174.3174.30000111.3A272 W275 L276 L279 L319 L321 L331 R333 R338 A339A272-V335 HydrophobicContact CB-CG2 4.39Å; A272-V335 VanDerWaalsContact O-CG2 3.29Å; A272-V335 WeakPolarHBondContact O-CG2 3.28Å; W275-V335 HydrophobicContact CB-CG1 4.47Å; L276-V335 HydrophobicContact CB-CG2 3.88Å; L276-V335 HydrophobicContact CD1-CG2 4.48Å; L279-V335 HydrophobicContact CD1-CG1 4.24Å; L319-V335 HydrophobicContact CD2-CG1 3.63Å; L319-V335 HydrophobicContact CG-CG1 4.24Å; L321-V335 HydrophobicContact CD1-CG1 3.92Å; L321-V335 HydrophobicContact CD1-CG2 4.48Å; L321-V335 HydrophobicContact CG-CG1 4.45Å; L331-V335 HydrophobicContact CD1-CG2 4.48Å; L331-V335 WeakPolarHBondContact O-CG2 3.37Å; L331-V335 PolarHBondContact O-N 3.11Å; R333-V335 PolarHBondContact O-N 3.39Å; V335-R338 PolarHBondContact O-N 3.39Å; V335-A339 WeakPolarHBondContact O-CB 3.29Å; V335-A339 PolarHBondContact O-N 3.01Å
336T91.5Very high87.4Confident36 Ų3665.7 Ų65.722%0.22133%0.332CS..Hα-helixtrans-65-43.8179.7-55.20000111.5L332 R333 A334 A339 L340 W352L332-T336 WeakPolarHBondContact O-CB 3.34Å; L332-T336 PolarHBondContact O-N 3.17Å; L332-T336 VanDerWaalsContact O-N 3.14Å; L332-T336 PolarHBondContact O-OG1 2.77Å; R333-T336 PolarHBondContact O-N 3.19Å; R333-T336 VanDerWaalsContact O-N 3.14Å; A334-T336 PolarHBondContact O-N 2.73Å; T336-A339 PolarHBondContact O-N 2.89Å; T336-L340 HydrophobicContact CG2-CD1 4.03Å; T336-L340 HydrophobicContact CG2-CG 4.5Å; T336-L340 WeakPolarHBondContact O-CB 3.25Å; T336-L340 VanDerWaalsContact O-CG 3.24Å; T336-L340 WeakPolarHBondContact O-CG 3.33Å; T336-L340 PolarHBondContact O-N 3.09Å; T336-W352 HydrophobicContact CG2-CH2 3.99Å; T336-W352 HydrophobicContact CG2-CZ2 4.36Å; T336-W352 HydrophobicContact CG2-CZ3 4.48Å
337E89.4Confident85.8Confident87 Ų8770.5 Ų70.541%0.40735%0.352SS..Hα-helixtrans-62.9-43.1177.4-75.5174-18000111.2R333 A334 L340 I341R333-E337 VanDerWaalsContact CD-OE1 3.26Å; R333-E337 WeakPolarHBondContact CD-OE1 3.28Å; R333-E337 HydrophobicContact CG-CG 4.14Å; R333-E337 WeakPolarHBondContact CG-OE1 3.45Å; R333-E337 IonicContact NE-OE1 3.18Å; R333-E337 WeakPolarHBondContact O-CB 3.45Å; R333-E337 WeakPolarHBondContact O-CG 3.41Å; R333-E337 PolarHBondContact O-N 2.91Å; A334-E337 PolarHBondContact O-N 2.88Å; E337-L340 PolarHBondContact O-N 2.91Å; E337-I341 VanDerWaalsContact O-CG1 3.32Å; E337-I341 WeakPolarHBondContact O-CG1 3.27Å; E337-I341 PolarHBondContact O-N 2.86Å
338R89.5Confident84.6Confident51 Ų5172.2 Ų72.219%0.19236%0.363CS..Hα-helixtrans-64.7-45.1176.8-173.166177.9179.2-0.1112.4L276 L279 I280 R311 A334 V335 L340 I341 N342L276-R338 HydrophobicContact CD1-CB 4.19Å; L279-R338 HydrophobicContact CB-CB 4.45Å; L279-R338 HydrophobicContact CB-CG 3.55Å; L279-R338 HydrophobicContact CD1-CB 4.28Å; L279-R338 HydrophobicContact CD1-CG 4.23Å; L279-R338 HydrophobicContact CG-CG 4.49Å; L279-R338 VanDerWaalsContact O-CZ 3.28Å; L279-R338 PolarHBondContact O-NE 3Å; L279-R338 PolarHBondContact O-NH2 3.01Å; I280-R338 HydrophobicContact CG1-CG 4.33Å; R311-R338 PolarHBondContact O-NH2 3.35Å; A334-R338 WeakPolarHBondContact O-CB 3.3Å; A334-R338 PolarHBondContact O-N 2.78Å; V335-R338 PolarHBondContact O-N 3.39Å; R338-L340 VanDerWaalsContact C-N 3.28Å; R338-L340 PolarHBondContact O-N 2.86Å; R338-I341 WeakPolarHBondContact O-CB 3.46Å; R338-I341 PolarHBondContact O-N 2.96Å; R338-I341 VanDerWaalsContact O-N 3.16Å; R338-N342 PolarHBondContact O-N 2.95Å
339A90.1Very high83.6Confident0 Ų074.9 Ų74.90%037%0.37CS..Hα-helixtrans-63.1-32.8174.500000112.7L279 L319 V335 T336 W352L279-A339 HydrophobicContact CD1-CB 4.25Å; L319-A339 HydrophobicContact CB-CB 4.23Å; V335-A339 WeakPolarHBondContact O-CB 3.29Å; V335-A339 PolarHBondContact O-N 3.01Å; T336-A339 PolarHBondContact O-N 2.89Å; A339-W352 HydrophobicContact CB-CH2 4.47Å; A339-W352 HydrophobicContact CB-CZ2 4.4Å
340L86.8Confident82.8Confident80 Ų8065.1 Ų65.142%0.41933%0.334SS..Hα-helixtrans-72.3-33.5173.4-73.2171.6000112.7T336 E337 R338 N342 S343 W352T336-L340 HydrophobicContact CG2-CD1 4.03Å; T336-L340 HydrophobicContact CG2-CG 4.5Å; T336-L340 WeakPolarHBondContact O-CB 3.25Å; T336-L340 VanDerWaalsContact O-CG 3.24Å; T336-L340 WeakPolarHBondContact O-CG 3.33Å; T336-L340 PolarHBondContact O-N 3.09Å; E337-L340 PolarHBondContact O-N 2.91Å; R338-L340 VanDerWaalsContact C-N 3.28Å; R338-L340 PolarHBondContact O-N 2.86Å; L340-N342 VanDerWaalsContact C-N 3.31Å; L340-N342 PolarHBondContact O-N 3.1Å; L340-S343 WeakPolarHBondContact O-CB 3.45Å; L340-S343 PolarHBondContact O-N 3.32Å; L340-S343 VanDerWaalsContact O-N 3.11Å; L340-S343 PolarHBondContact O-OG 2.94Å; L340-W352 HydrophobicContact CD2-CZ2 4.13Å; L340-W352 HydrophobicContact CG-CZ2 4.23Å
341I86.8Confident82.2Confident109 Ų10963.6 Ų63.656%0.55933%0.329SS*.Hα-helixtrans-60.5-42.4173.7-72.7163000110.5E337 R338 S343 E344E337-I341 VanDerWaalsContact O-CG1 3.32Å; E337-I341 WeakPolarHBondContact O-CG1 3.27Å; E337-I341 PolarHBondContact O-N 2.86Å; R338-I341 WeakPolarHBondContact O-CB 3.46Å; R338-I341 PolarHBondContact O-N 2.96Å; R338-I341 VanDerWaalsContact O-N 3.16Å; I341-S343 PolarHBondContact O-N 2.8Å; I341-S343 VanDerWaalsContact O-N 3.07Å; I341-E344 PolarHBondContact O-N 2.82Å
342N87.2Confident81.6Confident25 Ų2566.7 Ų66.713%0.13434%0.341CS..THydrogen-bonded Turntrans-57.4-22.7175.3-69.1-4.2000113.7N313 L316 V317 R338 L340 E344N313-N342 PolarHBondContact O-ND2 3.4Å; L316-N342 WeakPolarHBondContact O-CB 3.38Å; L316-N342 PolarHBondContact O-ND2 3.2Å; V317-N342 HydrophobicContact CG1-CB 4.27Å; R338-N342 PolarHBondContact O-N 2.95Å; L340-N342 VanDerWaalsContact C-N 3.31Å; L340-N342 PolarHBondContact O-N 3.1Å; N342-E344 VanDerWaalsContact C-N 3.29Å; N342-E344 PolarHBondContact O-N 3.21Å
343S79.8Confident81Confident17 Ų1765.2 Ų65.212%0.11933%0.333CS..THydrogen-bonded Turntrans-77.1-11.8175.977.40000114.1L340 I341 G345 K346L340-S343 WeakPolarHBondContact O-CB 3.45Å; L340-S343 PolarHBondContact O-N 3.32Å; L340-S343 VanDerWaalsContact O-N 3.11Å; L340-S343 PolarHBondContact O-OG 2.94Å; I341-S343 PolarHBondContact O-N 2.8Å; I341-S343 VanDerWaalsContact O-N 3.07Å; S343-G345 PolarHBondContact O-N 3.08Å; S343-G345 PolarHBondContact OG-N 2.98Å; S343-K346 VanDerWaalsContact O-CB 3.28Å; S343-K346 WeakPolarHBondContact O-CB 3.49Å; S343-K346 PolarHBondContact O-N 2.93Å
344E76Confident79.8Confident144 Ų14464.7 Ų64.767%0.67333%0.334SS*.THydrogen-bonded Turntrans5321.5-173.2-56.5-178.7158.200114.1I341 N342 K346I341-E344 PolarHBondContact O-N 2.82Å; N342-E344 VanDerWaalsContact C-N 3.29Å; N342-E344 PolarHBondContact O-N 3.21Å; E344-K346 HydrophobicContact CB-CD 4.36Å; E344-K346 HydrophobicContact CB-CG 4.49Å; E344-K346 PolarHBondContact O-N 3.46Å; E344-K346 WeakPolarHBondContact OE2-CE 3.49Å; E344-K346 IonicContact OE2-NZ 3.99Å; E344-K346 PolarHBondContact OE2-NZ 2.83Å
345G64.5Low78.2Confident74 Ų7466.1 Ų66.176%0.76335%0.346SS*.THydrogen-bonded Turntrans73.25.8-172.400000114.7S343S343-G345 PolarHBondContact O-N 3.08Å; S343-G345 PolarHBondContact OG-N 2.98Å
346K65.5Low76.1Confident136 Ų13667.8 Ų67.859%0.59136%0.363SS*.  trans-73.7142.3173.8-63.2165.1175.7164.70109.9S343 E344 T348S343-K346 VanDerWaalsContact O-CB 3.28Å; S343-K346 WeakPolarHBondContact O-CB 3.49Å; S343-K346 PolarHBondContact O-N 2.93Å; E344-K346 HydrophobicContact CB-CD 4.36Å; E344-K346 HydrophobicContact CB-CG 4.49Å; E344-K346 PolarHBondContact O-N 3.46Å; E344-K346 WeakPolarHBondContact OE2-CE 3.49Å; E344-K346 IonicContact OE2-NZ 3.99Å; E344-K346 PolarHBondContact OE2-NZ 2.83Å; K346-T348 PolarHBondContact O-N 2.98Å; K346-T348 VanDerWaalsContact O-N 3.14Å
347Q59.5Low73.5Confident191 Ų19172.1 Ų72.189%0.89340%0.395SS*.  trans-70.7108.6164.3-69.7-168.6-9.200108.4
348T69.6Low71.1Confident50 Ų5071.7 Ų71.731%0.30739%0.393SS..  trans-80162.2177.9810000110V317 K346 F350V317-T348 HydrophobicContact CB-CG2 3.95Å; V317-T348 HydrophobicContact CG1-CG2 4.15Å; V317-T348 HydrophobicContact CG2-CG2 3.85Å; K346-T348 PolarHBondContact O-N 2.98Å; K346-T348 VanDerWaalsContact O-N 3.14Å; T348-F350 PolarHBondContact O-N 2.57Å; T348-F350 VanDerWaalsContact O-N 3.09Å; T348-F350 PolarHBondContact OG1-N 3.25Å; T348-F350 PolarHBondContact OG1-O 3.28Å; T348-F350 VanDerWaalsContact OG1-O 3.05Å
349E71.7Confident68.1Low102 Ų10273.4 Ų73.448%0.47741%0.409SS..SBendtrans-64.6-11.4175.468.3177.6154.700112.8K229K229-E349 WeakPolarHBondContact CD-OE1 3.44Å; K229-E349 IonicContact NZ-OE1 3.66Å; K229-E349 PolarHBondContact NZ-OE1 3.18Å
350F76Confident65.3Low12 Ų1278.2 Ų78.25%0.05344%0.44CS..SBendtrans-110.5106.2-177.6-58.8-66.4000111.8T179 K229 R230 K258 A259 V318 T348T179-F350 HydrophobicContact CG2-CE1 4.2Å; K229-F350 HydrophobicContact CB-CE1 4.34Å; K229-F350 HydrophobicContact CB-CE2 3.93Å; K229-F350 HydrophobicContact CB-CZ 3.44Å; K229-F350 VanDerWaalsContact CB-CZ 3.44Å; K229-F350 HydrophobicContact CD-CE2 4.1Å; K229-F350 HydrophobicContact CD-CZ 3.87Å; K229-F350 HydrophobicContact CG-CZ 4.34Å; R230-F350 HydrophobicContact CB-CD1 4.01Å; R230-F350 HydrophobicContact CB-CE1 3.87Å; K258-F350 HydrophobicContact CB-CD2 3.44Å; K258-F350 VanDerWaalsContact CB-CD2 3.44Å; K258-F350 HydrophobicContact CB-CE2 3.49Å; K258-F350 VanDerWaalsContact CB-CE2 3.49Å; K258-F350 HydrophobicContact CG-CD2 4.11Å; K258-F350 HydrophobicContact CG-CE2 3.71Å; A259-F350 HydrophobicContact CB-CB 3.92Å; A259-F350 HydrophobicContact CB-CD1 4.33Å; A259-F350 HydrophobicContact CB-CG 3.98Å; V318-F350 HydrophobicContact CG2-CB 4.3Å; V318-F350 WeakPolarHBondContact CG2-O 3.26Å; T348-F350 PolarHBondContact O-N 2.57Å; T348-F350 VanDerWaalsContact O-N 3.09Å; T348-F350 PolarHBondContact OG1-N 3.25Å; T348-F350 PolarHBondContact OG1-O 3.28Å; T348-F350 VanDerWaalsContact OG1-O 3.05Å
351S79Confident62.5Low52 Ų5279 Ų7936%0.36445%0.452SS..PPolyproline II helixtrans-75146.2172.356.20000112.3R230R230-S351 PolarHBondContact NH1-O 2.9Å; R230-S351 PolarHBondContact NH2-O 2.95Å
352W80.8Confident59.9Low70 Ų7080.4 Ų80.427%0.26546%0.457SS..PPolyproline II helixtrans-60.7135.2161.3-68.483.2000109.9V318 L319 D320 T336 A339 L340V318-W352 HydrophobicContact CG1-CD2 3.91Å; V318-W352 HydrophobicContact CG1-CE3 3.96Å; V318-W352 HydrophobicContact CG1-CG 4.36Å; V318-W352 HydrophobicContact CG1-CZ2 4.49Å; V318-W352 HydrophobicContact CG1-CZ3 4.3Å; V318-W352 HydrophobicContact CG2-CD2 4.39Å; V318-W352 HydrophobicContact CG2-CG 4.38Å; L319-W352 VanDerWaalsContact O-CH2 3.3Å; L319-W352 WeakPolarHBondContact O-CH2 3.16Å; L319-W352 VanDerWaalsContact O-CZ3 3.25Å; L319-W352 WeakPolarHBondContact O-CZ3 3.34Å; D320-W352 HydrophobicContact CB-CE3 4.31Å; D320-W352 HydrophobicContact CB-CZ3 4.16Å; T336-W352 HydrophobicContact CG2-CH2 3.99Å; T336-W352 HydrophobicContact CG2-CZ2 4.36Å; T336-W352 HydrophobicContact CG2-CZ3 4.48Å; A339-W352 HydrophobicContact CB-CH2 4.47Å; A339-W352 HydrophobicContact CB-CZ2 4.4Å; L340-W352 HydrophobicContact CD2-CZ2 4.13Å; L340-W352 HydrophobicContact CG-CZ2 4.23Å
353L80.4Confident57.3Low5 Ų580.7 Ų80.73%0.02646%0.458CS..PPolyproline II helixtrans-68.8157.5177.8-54.3172.4000110.6N234 D261 R322 A355 Y370 W372N234-L353 WeakPolarHBondContact ND2-CD1 3.43Å; D261-L353 HydrophobicContact CB-CD1 4.14Å; D261-L353 WeakPolarHBondContact OD1-CD1 3.28Å; R322-L353 PolarHBondContact NH2-O 3.09Å; L353-A355 PolarHBondContact O-N 2.79Å; L353-Y370 HydrophobicContact CB-CD1 4.18Å; L353-Y370 HydrophobicContact CD1-CD1 3.83Å; L353-Y370 HydrophobicContact CD1-CE1 4.47Å; L353-Y370 HydrophobicContact CD1-CG 3.93Å; L353-W372 HydrophobicContact CD1-CH2 3.28Å; L353-W372 HydrophobicContact CD1-CZ2 3.33Å; L353-W372 HydrophobicContact CD1-CZ3 4.26Å; L353-W372 HydrophobicContact CD2-CD2 4.43Å; L353-W372 HydrophobicContact CD2-CE3 4.25Å; L353-W372 HydrophobicContact CD2-CH2 3.76Å; L353-W372 HydrophobicContact CD2-CZ2 4.03Å; L353-W372 HydrophobicContact CD2-CZ3 3.93Å; L353-W372 HydrophobicContact CG-CH2 4.02Å; L353-W372 HydrophobicContact CG-CZ2 4.3Å
354K68.4Low54.9Low107 Ų10783.7 Ų83.747%0.46548%0.478SS..  trans-71.7112.4165.2-70.2-179.1177.2175.20108.4G356 P371 H554K354-G356 PolarHBondContact O-N 3.13Å; K354-P371 HydrophobicContact CB-CG 4.17Å; K354-P371 HydrophobicContact CD-CG 4.42Å; K354-P371 HydrophobicContact CG-CG 4.32Å; K354-H554 PolarHBondContact NZ-CD2 2.96Å; K354-H554 PolarHBondContact NZ-O 3.27Å
355A56.7Low52.8Low41 Ų4177.8 Ų77.834%0.33945%0.452SS..  trans-66.5101162.700000107.3L353 S357L353-A355 PolarHBondContact O-N 2.79Å; A355-S357 PolarHBondContact O-N 3.4Å
356G48.6Very low51.1Low35 Ų3576.3 Ų76.336%0.36144%0.438SS..  trans-63.2127-173.100000111.8K354 Q358K354-G356 PolarHBondContact O-N 3.13Å; G356-Q358 PolarHBondContact O-N 3.03Å
357S37.4Very low49.8Very low126 Ų12670.9 Ų70.988%0.88142%0.416SS*.  trans-78.528.7172.4680000112.6A355A355-S357 PolarHBondContact O-N 3.4Å
358Q38.5Very low48.9Very low79 Ų7962.8 Ų62.837%0.36938%0.379SS..  trans-106.2123.4-167.2-67.5-179.310.300109.7G356G356-Q358 PolarHBondContact O-N 3.03Å
359T28.1Very low47.6Very low86 Ų8662.5 Ų62.553%0.52838%0.377SS..  trans-59152.4164.244.70000109.8S361 Q362T359-S361 WeakPolarHBondContact CB-OG 3.36Å; T359-S361 PolarHBondContact O-N 2.86Å; T359-S361 PolarHBondContact OG1-OG 3.14Å; T359-Q362 PolarHBondContact O-N 3.05Å
360P29.6Very low46.6Very low101 Ų10157.8 Ų57.866%0.65636%0.355SS*.G310 helixtrans-53.3-16.7177.8-28.235.6000115Q362P360-Q362 VanDerWaalsContact C-N 3.35Å; P360-Q362 PolarHBondContact O-N 2.81Å
361S28.6Very low45.3Very low96 Ų9659.7 Ų59.767%0.67137%0.369SS*.G310 helixtrans-73.7-4.9179.752.40000116.8T359T359-S361 WeakPolarHBondContact CB-OG 3.36Å; T359-S361 PolarHBondContact O-N 2.86Å; T359-S361 PolarHBondContact OG1-OG 3.14Å
362Q32.2Very low44Very low140 Ų14058.4 Ų58.465%0.65436%0.356SS*.G310 helixtrans-111.20.7176.8-71-165.3-14.900115.4T359 P360T359-Q362 PolarHBondContact O-N 3.05Å; P360-Q362 VanDerWaalsContact C-N 3.35Å; P360-Q362 PolarHBondContact O-N 2.81Å
363L31.7Very low42.3Very low31 Ų3155.8 Ų55.816%0.16235%0.348CS..SBendtrans-118.6116.4175.2-67.8168.9000109.5Q78 S365 G366 V367 T368 T369Q78-L363 PolarHBondContact NE2-O 2.86Å; L363-S365 PolarHBondContact O-N 3.35Å; L363-G366 PolarHBondContact O-N 3.18Å; L363-V367 WeakPolarHBondContact CD1-O 3.38Å; L363-T368 HydrophobicContact CD1-CG2 4.41Å; L363-T369 HydrophobicContact CD2-CG2 4.43Å
364C30.5Very low40.6Very low80 Ų8056.3 Ų56.354%0.54136%0.355SS..THydrogen-bonded Turntrans-68.4-0.2-166.1-61.20000115.8F76 Y77 Q78F76-C364 HydrophobicContact CB-CB 4.12Å; F76-C364 CarbonylContact O-C 3Å; F76-C364 WeakPolarHBondContact O-CB 3.4Å; Y77-C364 CarbonylContact C-O 3.28Å; Q78-C364 WeakPolarHBondContact CA-O 3.48Å; Q78-C364 WeakPolarHBondContact CB-O 3.37Å; Q78-C364 WeakPolarHBondContact CG-O 3.11Å; Q78-C364 PolarHBondContact N-O 3.14Å
365S31.6Very low39.3Very low19 Ų1952.8 Ų52.813%0.13334%0.341CS..THydrogen-bonded Turntrans-110.2-6.5169.267.40000114.9N128 L363 V367N128-S365 PolarHBondContact ND2-OG 2.91Å; L363-S365 PolarHBondContact O-N 3.35Å; S365-V367 PolarHBondContact O-N 3.28Å; S365-V367 PolarHBondContact OG-N 2.81Å
366G28.4Very low38.7Very low44 Ų4453.4 Ų53.445%0.45434%0.341SS..SBendtrans78.2-5.8-172.100000114.9L363L363-G366 PolarHBondContact O-N 3.18Å
367V38.2Very low38.1Very low22 Ų2257.4 Ų57.413%0.13335%0.353CS..SBendtrans-90.6135.3175.9175.50000110.5E155 T183 L363 S365 T369E155-V367 HydrophobicContact CG-CG1 4.37Å; T183-V367 HydrophobicContact CG2-CG1 4.43Å; L363-V367 WeakPolarHBondContact CD1-O 3.38Å; S365-V367 PolarHBondContact O-N 3.28Å; S365-V367 PolarHBondContact OG-N 2.81Å; V367-T369 PolarHBondContact O-N 3.05Å; V367-T369 VanDerWaalsContact O-N 3.14Å
368T41.1Very low37.8Very low21 Ų2156.8 Ų56.813%0.12934%0.338CS..  trans-69.4101.8170.96.40000110.6D235 R323 L363 Y370D235-T368 PolarHBondContact OD1-OG1 3.22Å; D235-T368 PolarHBondContact OD2-OG1 2.95Å; R323-T368 PolarHBondContact NH1-OG1 3.31Å; L363-T368 HydrophobicContact CD1-CG2 4.41Å; T368-Y370 VanDerWaalsContact O-CD2 3.28Å; T368-Y370 WeakPolarHBondContact O-CD2 3.38Å; T368-Y370 WeakPolarHBondContact O-CE2 3.43Å; T368-Y370 PolarHBondContact O-N 2.75Å
369T42.6Very low37.4Very low43 Ų4356.1 Ų56.126%0.26434%0.342SS..  trans-83113.1179.6710000110.5E155 L363 V367E155-T369 VanDerWaalsContact OE1-CA 3.25Å; E155-T369 WeakPolarHBondContact OE1-CA 3.31Å; E155-T369 WeakPolarHBondContact OE1-CB 3.5Å; L363-T369 HydrophobicContact CD2-CG2 4.43Å; V367-T369 PolarHBondContact O-N 3.05Å; V367-T369 VanDerWaalsContact O-N 3.14Å
370Y49.7Very low37.4Very low4 Ų457.9 Ų57.92%0.01635%0.348CS..  trans-85.8150.3179.9-52.6-93.2000111.6T183 N234 D235 R323 L353 T368 W372 R551T183-Y370 HydrophobicContact CG2-CD2 4.01Å; T183-Y370 HydrophobicContact CG2-CE2 3.68Å; N234-Y370 HydrophobicContact CB-CD2 4.37Å; N234-Y370 HydrophobicContact CB-CE2 3.48Å; N234-Y370 VanDerWaalsContact CB-CE2 3.48Å; N234-Y370 WeakPolarHBondContact ND2-CD2 3.43Å; N234-Y370 WeakPolarHBondContact ND2-CE2 3.44Å; N234-Y370 VanDerWaalsContact ND2-CZ 3.26Å; D235-Y370 WeakPolarHBondContact OD2-CE2 3.22Å; D235-Y370 PolarHBondContact OD2-OH 3.07Å; R323-Y370 PolarHBondContact NH1-OH 2.96Å; L353-Y370 HydrophobicContact CB-CD1 4.18Å; L353-Y370 HydrophobicContact CD1-CD1 3.83Å; L353-Y370 HydrophobicContact CD1-CE1 4.47Å; L353-Y370 HydrophobicContact CD1-CG 3.93Å; T368-Y370 VanDerWaalsContact O-CD2 3.28Å; T368-Y370 WeakPolarHBondContact O-CD2 3.38Å; T368-Y370 WeakPolarHBondContact O-CE2 3.43Å; T368-Y370 PolarHBondContact O-N 2.75Å; Y370-W372 VanDerWaalsContact C-N 3.28Å; Y370-W372 HydrophobicContact CD2-CZ2 4.13Å; Y370-W372 AromaticContact CD2-NE1 3.95Å; Y370-W372 HydrophobicContact CG-CZ2 4.19Å; Y370-W372 VanDerWaalsContact O-CD1 3.28Å; Y370-W372 PolarHBondContact O-N 2.75Å; Y370-R551 PolarHBondContact O-NH2 2.83Å; Y370-R551 VanDerWaalsContact O-NH2 3.13Å
371P49.6Very low37.3Very low52 Ų5261.6 Ų61.634%0.33836%0.357SS..  trans-74.784.2168.130.3-32.7000109.6K354K354-P371 HydrophobicContact CB-CG 4.17Å; K354-P371 HydrophobicContact CD-CG 4.42Å; K354-P371 HydrophobicContact CG-CG 4.32Å
372W50.8Low37.3Very low24 Ų2464.3 Ų64.39%0.09136%0.362CS..  trans-67.2125.5-177.1-81.5102.6000113.6E155 N181 T232 D261 L353 Y370 G374E155-W372 PolarHBondContact OE2-NE1 3.33Å; N181-W372 HydrophobicContact CB-CD2 4.27Å; N181-W372 PolarHBondContact ND2-NE1 3.33Å; T232-W372 VanDerWaalsContact CB-CH2 3.48Å; T232-W372 HydrophobicContact CG2-CH2 3.07Å; T232-W372 HydrophobicContact CG2-CZ2 3.07Å; T232-W372 HydrophobicContact CG2-CZ3 3.92Å; T232-W372 WeakPolarHBondContact OG1-CH2 3.39Å; T232-W372 WeakPolarHBondContact OG1-CZ3 3.41Å; D261-W372 HydrophobicContact CB-CH2 4.11Å; D261-W372 WeakPolarHBondContact OD2-CH2 3.4Å; L353-W372 HydrophobicContact CD1-CH2 3.28Å; L353-W372 HydrophobicContact CD1-CZ2 3.33Å; L353-W372 HydrophobicContact CD1-CZ3 4.26Å; L353-W372 HydrophobicContact CD2-CD2 4.43Å; L353-W372 HydrophobicContact CD2-CE3 4.25Å; L353-W372 HydrophobicContact CD2-CH2 3.76Å; L353-W372 HydrophobicContact CD2-CZ2 4.03Å; L353-W372 HydrophobicContact CD2-CZ3 3.93Å; L353-W372 HydrophobicContact CG-CH2 4.02Å; L353-W372 HydrophobicContact CG-CZ2 4.3Å; Y370-W372 VanDerWaalsContact C-N 3.28Å; Y370-W372 HydrophobicContact CD2-CZ2 4.13Å; Y370-W372 AromaticContact CD2-NE1 3.95Å; Y370-W372 HydrophobicContact CG-CZ2 4.19Å; Y370-W372 VanDerWaalsContact O-CD1 3.28Å; Y370-W372 PolarHBondContact O-N 2.75Å; W372-G374 PolarHBondContact O-N 3.43Å
373P46.7Very low37Very low15 Ų1563.9 Ų63.910%0.09737%0.372CS..SBendtrans-76.485.8-178.829.1-33.6000112.6T376P373-T376 HydrophobicContact CB-CG2 4.32Å
374G42.7Very low36.8Very low16 Ų1665.4 Ų65.417%0.16540%0.395CS..SBendtrans-119.23.3148.600000113W372W372-G374 PolarHBondContact O-N 3.43Å
375L43.1Very low36.9Very low34 Ų3469.4 Ų69.418%0.17841%0.409CS..SBendtrans-105.2-17.8-173.4-75.1161.3000113.8F70 N377 M378 L548F70-L375 HydrophobicContact CE2-CD2 4.47Å; L375-N377 VanDerWaalsContact C-N 3.26Å; L375-N377 PolarHBondContact O-N 3.05Å; L375-M378 PolarHBondContact O-N 2.85Å; L375-M378 VanDerWaalsContact O-N 3.08Å; L375-L548 HydrophobicContact CD2-CD2 4.08Å
376T42.1Very low36.6Very low54 Ų5474.8 Ų74.833%0.33144%0.436SS..THydrogen-bonded Turntrans-63.8-25.6-170.643.10000114.5P373P373-T376 HydrophobicContact CB-CG2 4.32Å
377N36.2Very low36.8Very low118 Ų11881 Ų8163%0.63146%0.458SS*.THydrogen-bonded Turntrans-98.3-4.3177.3-72.6-16.4000114L375L375-N377 VanDerWaalsContact C-N 3.26Å; L375-N377 PolarHBondContact O-N 3.05Å
378M32.3Very low36.3Very low113 Ų11386.9 Ų86.956%0.55749%0.487SS*.THydrogen-bonded Turntrans-94.3-12.1-178-64.9-65.6-6800113.3H69 L375H69-M378 WeakPolarHBondContact CE1-CE 3.3Å; L375-M378 PolarHBondContact O-N 2.85Å; L375-M378 VanDerWaalsContact O-N 3.08Å
379S29Very low35.7Very low66 Ų6691.6 Ų91.646%0.46251%0.512SS..SBendtrans-90.5-1.4175.853.80000114.3H381S379-H381 PolarHBondContact O-N 3.29Å
380N28.3Very low35Very low122 Ų12295 Ų9565%0.65253%0.534SS*.SBendtrans-81.7107.7173.7-75.8-24.2000109.5I382N380-I382 PolarHBondContact O-N 3.03Å
381H28.9Very low33.8Very low179 Ų179103.7 Ų103.783%0.82957%0.569SS**  trans-42.7127.2170.9-94.6-92.7000111.7S379 P383S379-H381 PolarHBondContact O-N 3.29Å; H381-P383 WeakPolarHBondContact O-CD 3.44Å
382I27.5Very low32.7Very low153 Ų153108.7 Ų108.779%0.78559%0.592SS**  trans-63.1112.6156.7-61.1171.1000106.4N380 G384N380-I382 PolarHBondContact O-N 3.03Å; I382-G384 PolarHBondContact O-N 2.83Å; I382-G384 VanDerWaalsContact O-N 3.16Å
383P26.1Very low31.6Very low132 Ų132119.7 Ų119.786%0.85763%0.634SS**SBendtrans-80.5100.5178-1.320.8000107.4H381H381-P383 WeakPolarHBondContact O-CD 3.44Å
384G26.7Very low30.6Very low63 Ų63123.9 Ų123.965%0.64966%0.664SS**  trans171.69.8-177.400000119I382I382-G384 PolarHBondContact O-N 2.83Å; I382-G384 VanDerWaalsContact O-N 3.16Å
385I32.8Very low29.9Very low163 Ų163128.3 Ų128.384%0.83669%0.687SS**  trans-121.6106169.8-61.3-178.3000108.4L387I385-L387 PolarHBondContact O-N 2.9Å
386D26.5Very low29.1Very low133 Ų133137.5 Ų137.571%0.71173%0.726SS**  trans-65.1119.7179.9-67.7-57.9000111.3I388D386-I388 HydrophobicContact CB-CG1 4.39Å
387L31.1Very low28.4Very low174 Ų174138.9 Ų138.991%0.91174%0.738SS**  trans-110.785150.8-96.7167.2000109.2I385 N389I385-L387 PolarHBondContact O-N 2.9Å; L387-N389 PolarHBondContact O-N 3.37Å; L387-N389 VanDerWaalsContact O-N 3.1Å
388I29.5Very low27.9Very low145 Ų145138.3 Ų138.374%0.74474%0.743SS**  trans-42.5109.1162.6-61.9155.1000109.4D386D386-I388 HydrophobicContact CB-CG1 4.39Å
389N28Very low27.7Very low120 Ų120139.9 Ų139.964%0.64275%0.754SS**  168.9107.5101.4-159.1-6.4000111.6L387 Y391L387-N389 PolarHBondContact O-N 3.37Å; L387-N389 VanDerWaalsContact O-N 3.1Å; N389-Y391 VanDerWaalsContact C-N 3.32Å; N389-Y391 PolarHBondContact O-N 3.42Å
390P26.6Very low27.6Very low114 Ų114140.4 Ų140.474%0.7476%0.757SS**  trans-88.731.3-173.436.6-36.4000114.8
391Y26.2Very low27.5Very low187 Ų187144.8 Ų144.873%0.73377%0.766SS**  trans-141.192.2179.4-73.2-81.9000113.2N389N389-Y391 VanDerWaalsContact C-N 3.32Å; N389-Y391 PolarHBondContact O-N 3.42Å
392N26Very low27.4Very low157 Ų157147.2 Ų147.284%0.8477%0.768SS**  trans174.596.5139.5-96.2-38.4000112.8
393R27.2Very low27.5Very low256 Ų256146.2 Ų146.297%0.96677%0.769SS**  trans-169.365.4144.4-108.8175.1-153.4-152.17.4111.3
394S26.2Very low27.5Very low103 Ų103151.3 Ų151.372%0.7277%0.771SS**  trans-80.2143.1159.663.70000109.7
395V27.9Very low27.6Very low109 Ų109153 Ų15366%0.66177%0.773SS**  trans58.7107.4161.2-163.50000118.6
396K26.4Very low27.4Very low226 Ų226156.3 Ų156.398%0.98378%0.775SS**  -131.170.8126.1-81.1-161178-179.40110.8
397S26.6Very low27.7Very low84 Ų84154.8 Ų154.859%0.58778%0.775SS**  trans-113.7116.4155.756.10000108.5
398S27.3Very low27.6Very low106 Ų106152.8 Ų152.874%0.74177%0.765SS**  trans63.6122.5152.9-500000120
399N26.6Very low27.8Very low146 Ų146152.1 Ų152.178%0.78176%0.763SS**  trans71.5118.3142.9-61.8-13.3000121.2
400S26.9Very low27.9Very low76 Ų76150.8 Ų150.853%0.53176%0.763SS.*  86.8145.4123.264.10000121.6
401Y27.2Very low28.2Very low214 Ų214151.2 Ų151.284%0.83976%0.759SS**  trans68.596.2170.1-33.5-59.4000114.9
402R25.5Very low28.6Very low230 Ų230151.1 Ų151.187%0.86876%0.758SS**  81.5136.765.5-162.6-174.5-156.9-159.28.1113.1
403T29.9Very low29.1Very low132 Ų132149.2 Ų149.281%0.8175%0.748SS**  trans82.6156.7176.374.90000117.1
404R25.9Very low29.3Very low240 Ų240144 Ų14491%0.90673%0.734SS**  -179.6167.3-50.2-137.4-176.9177.7-175.6-0.9107.2
405S29.9Very low29.5Very low99 Ų99146 Ų14669%0.69273%0.733SS**  trans75.5123.4177.4-86.20000115.6
406R28.7Very low29.8Very low231 Ų231151 Ų15187%0.87275%0.745SS**  64.9139.366.7-70.6179.2160.5-178.5-7.5110.6
407S31.8Very low29.9Very low102 Ų102146.4 Ų146.471%0.71373%0.73SS**  cis-175.216416.727.40000107.6
408N30.3Very low30.2Very low131 Ų131150 Ų15070%0.70174%0.741SS**  cis-168.2-179.10.4-118.745.1000109.9
409N32.8Very low30.5Very low132 Ų132152.2 Ų152.271%0.70674%0.74SS**  trans69.5117.2150.5-67.15.3000118.8
410S31.1Very low30.9Very low91 Ų91149.5 Ų149.564%0.63673%0.732SS**  91.915054.774.60000112.3
411L32.2Very low31.2Very low123 Ų123152.6 Ų152.664%0.64474%0.743SS**  cis-161160.438.4-100.2170.1000112.9
412Y34.3Very low31.5Very low185 Ų185147.4 Ų147.473%0.72573%0.729SS**  trans64.5143.6151.8-63.2-42.4000120.1
413N35.6Very low32Very low118 Ų118143.8 Ų143.863%0.63172%0.72SS**  cis-154146.99.2-119.8-12.4000114.6
414H33.3Very low31.9Very low145 Ų145144.3 Ų144.367%0.67172%0.718SS**  trans32.6153.2150.6-68.4-70.3000123.4
415E29.4Very low32.1Very low147 Ų147139.5 Ų139.569%0.68771%0.714SS**  cis178.7135.2-33.4-126177-17400108.5
416K33.3Very low31.9Very low213 Ų213140 Ų14093%0.92672%0.717SS**  trans-168.6119.5134.4-113.9174.4-178178.30110.6
417I28.7Very low31.9Very low129 Ų129136.4 Ų136.466%0.66271%0.713SS**  trans-119.5139.1-176.8-66.5169.6000108.5
418I33.9Very low31.7Very low161 Ų161141.3 Ų141.383%0.82672%0.718SS**  trans-135.1100.4146.1-60.1-176.6000103.1
419H33.4Very low31.7Very low152 Ų152144 Ų14470%0.70473%0.726SS**  55133.4101.2-74.5-71.6000113.5
420S34.6Very low31.5Very low88 Ų88146 Ų14662%0.61573%0.728SS**  cis-170.61415.744.10000111.4
421D34.5Very low31.4Very low142 Ų142148 Ų14876%0.75973%0.732SS**  trans64.7154.6133.4-57.60.1000122.4
422D32.4Very low31.3Very low105 Ų105148.6 Ų148.656%0.56174%0.736SS**  cis-175.7168.7-28.1-171.516000107.9
423K35.4Very low31Very low153 Ų153147.2 Ų147.267%0.66574%0.74SS**  trans67.8111.7168.5-59.3123.3-179.4133.20116.9
424N28.3Very low30.6Very low144 Ų144146.1 Ų146.177%0.7774%0.742SS**  58.8117.567-66.2-42.8000114.9
425V30.6Very low30.3Very low138 Ų138147.1 Ų147.184%0.83675%0.752SS**  179.8138.1107151.40000110.1
426C25.3Very low30.4Very low111 Ų111151.6 Ų151.675%0.7576%0.762SS**  trans-77.5161.2174-51.40000111.8
427I29.8Very low30.3Very low154 Ų154146 Ų14679%0.7975%0.747SS**  -178.2148.3128.8-92.5149.7000110.8
428Y26.2Very low30.5Very low205 Ų205145.9 Ų145.980%0.80476%0.755SS**  trans-45.6151.4172.5-61.2-101.7000115
429H31.8Very low30.4Very low189 Ų189147.7 Ų147.788%0.87576%0.757SS**  -172.6168.6105.3-109.6-90.3000114.5
430K28.5Very low30.5Very low174 Ų174147.9 Ų147.976%0.75776%0.762SS**  trans-86.1151.3-177.7-91.6-179.9175.9176.60113.4
431N28.8Very low30.8Very low132 Ų132149.2 Ų149.271%0.70677%0.769SS**  trans75.6131.7143.4-66.18.1000121.3
432N28.9Very low30.8Very low136 Ų136147.4 Ų147.473%0.72777%0.773SS**  trans87.8116.6140.8-71.97.8000121.8
433L28.1Very low30.9Very low155 Ų155146.1 Ų146.181%0.81279%0.785SS**  trans81.7143.6141.1-64.1164.2000119.4
434S27.3Very low30.8Very low96 Ų96142.5 Ų142.567%0.67179%0.791SS**  trans46.9102.516350.10000118.3
435D28.2Very low31Very low165 Ų165147.8 Ų147.888%0.88280%0.8SS**  178.7164.487.3-90.2-34.9000114.3
436R30.5Very low31.5Very low242 Ų242146.5 Ų146.591%0.91380%0.795SS**PPolyproline II helixtrans-90.8166.7-173-114.3-162.3165.7-172.2-2.7113.1
437P30.6Very low31.9Very low94 Ų94152.2 Ų152.261%0.6180%0.801SS**PPolyproline II helixtrans-88167.5-161.537.3-39.6000115
438P34.3Very low32.1Very low127 Ų127150 Ų15083%0.82580%0.798SS**PPolyproline II helixtrans-80.2129.8169.732.5-32.7000112.4
439F31Very low32.6Very low199 Ų199150.8 Ų150.887%0.87380%0.799SS**  trans-141.6121.7170.4-119.3-68.8000108.4
440I36.6Very low32.7Very low157 Ų157146.9 Ų146.981%0.80579%0.793SS**  trans-152.1134.5-178.9-68.9-171.9000108.3
441P39.3Very low33.1Very low116 Ų116142.7 Ų142.775%0.75379%0.791SS**  cis-145.4-166-22.641.5-21.4000115.1
442A35.7Very low33.4Very low103 Ų103143.7 Ų143.785%0.85180%0.797SS**  trans89.2115.3160.100000118.2
443G32.9Very low33.9Very low78 Ų78142.9 Ų142.980%0.80480%0.799SS**  cis178147.1-9.500000116.2
444G33.3Very low34.4Very low78 Ų78140.4 Ų140.480%0.80480%0.801SS**  trans78.7145.3158.700000118.4
445R34.1Very low34.6Very low254 Ų254144.1 Ų144.196%0.95881%0.807SS**  cis-152.3162.5-17.7-108.2-164-178.3-156.61.3109.4
446P40.3Very low34.9Very low112 Ų112146.4 Ų146.473%0.72781%0.805SS**  trans-118.8179.3-160.943.4-34.6000115.4
447R34.6Very low35Very low230 Ų230141.3 Ų141.387%0.86880%0.795SS**  trans-177.5120.4136.1-102.3167.7178.4-176.40.1111.5
448C34.2Very low35Very low108 Ų108142.6 Ų142.673%0.7380%0.797SS**  84.2140.7100.8-79.60000114.2
449R35.5Very low35.1Very low221 Ų221144 Ų14483%0.83479%0.792SS**  cis-155.1141.59.8-96.2153.2-177.6-149.90.9106.4
450S33.2Very low35Very low107 Ų107145 Ų14575%0.74879%0.79SS**  cis92.5143.149.476.60000115.7
451A37.5Very low34.9Very low86 Ų86143.7 Ų143.771%0.71179%0.789SS**  trans86.1142.517600000117.8
452D34.8Very low34.5Very low154 Ų154145.3 Ų145.382%0.82479%0.787SS**  cis-163.2164.4-25.9-106.5-32.4000110.4
453P40.5Very low34.5Very low119 Ų119150 Ų15077%0.77379%0.79SS**  trans-103.8165.9-173.239.4-34.2000115.4
454A37.4Very low34.4Very low103 Ų103153.6 Ų153.685%0.85178%0.784SS**  trans-138.7152.4174.600000114.3
455H31.7Very low34.4Very low173 Ų173155.8 Ų155.880%0.80179%0.786SS**  trans-86.7167.5-170.9-79.1-122.8000115.2
456Y35.6Very low34.1Very low213 Ų213149.1 Ų149.184%0.83577%0.769SS**  168.9116.9125.7-104-94.9000107.1
457L32.3Very low33.9Very low136 Ų136149.6 Ų149.671%0.71277%0.769SS**  54.7138.175.8-67.7168000113.4
458D30.1Very low33.6Very low120 Ų120144.6 Ų144.664%0.64276%0.76SS**  cis-167.3-175.9-15.9-179.526.3000106.9
459H37.3Very low33.3Very low158 Ų158145 Ų14573%0.73175%0.754SS**  trans110.5100.5156.3-54.2-30.4000119.3
460R27.2Very low33.1Very low219 Ų219141.3 Ų141.383%0.82675%0.746SS**  -0.5140.6129.6-61.4175.1174.3-172.2-1.8115.6
461T35.6Very low32.7Very low129 Ų129145.1 Ų145.179%0.79174%0.744SS**  -162.3140.777.9300000115.5
462H29.8Very low32.2Very low151 Ų151148.4 Ų148.470%0.69974%0.743SS**  trans7129.1137.4-75.1-100.5000120.4
463H37.6Very low32Very low200 Ų200148.3 Ų148.393%0.92674%0.737SS**  -147.5151.6117.2-107-75.6000111.2
464K30.1Very low31.3Very low155 Ų155149.2 Ų149.267%0.67474%0.735SS**  trans-150.8122.5-157.8-178.3-167-174.1-172.60111.4
465C32.3Very low31Very low124 Ų124155.7 Ų155.784%0.83874%0.738SS**  trans-144.4113.3164.2-560000105
466N28.4Very low30.8Very low113 Ų113156 Ų15660%0.60474%0.739SS**  48130.250.8-82.735.3000111.1
467V35.8Very low30.4Very low122 Ų122153.7 Ų153.774%0.73974%0.74SS**  cis-141.3134.738.2179.40000107.8
468D28.8Very low30.2Very low126 Ų126155.2 Ų155.267%0.67474%0.743SS**  85151.750.6-144.3-11.5000114.6
469L28.3Very low30Very low116 Ų116154.2 Ų154.261%0.60775%0.745SS**  trans80.3116.4163.6-56.1165.1000122.3
470H30.5Very low29.5Very low144 Ų144151.8 Ų151.867%0.66775%0.745SS**  72.2155.5129.4-72.7-6000120.1
471R25.9Very low29.5Very low187 Ų187148.1 Ų148.171%0.70674%0.742SS**  cis-164.3144.7-21.2-122.9176.9178.4178.83.4107.7
472K26.7Very low29.1Very low155 Ų155147.3 Ų147.367%0.67474%0.742SS**  trans51.1144.1141.3-76.2-179.4171.3-172.20122.6
473H30.3Very low29.1Very low151 Ų151143.9 Ų143.970%0.69975%0.747SS**  trans88.5113.4154.7-59.6-24.6000116.5
474N26.1Very low28.9Very low139 Ų139143.4 Ų143.474%0.74375%0.745SS**  70.794.368.6-80.8-0.3000113.5
475R29.9Very low28.8Very low239 Ų239141.9 Ų141.990%0.90275%0.751SS**  174.9119.8127.8-87.7148.4-168.3-157.83.5106.1
476H27.6Very low28.8Very low180 Ų180144.5 Ų144.583%0.83376%0.756SS**  58.1134.176.8-112.762.4000113.9
477L28.9Very low28.8Very low164 Ų164144 Ų14486%0.85976%0.762SS**  trans98.1102.5-175.2-59157.8000112.8
478H27.1Very low28.6Very low167 Ų167145.7 Ų145.777%0.77376%0.761SS**  90.9131.459.8-108-82.2000115
479C25.4Very low28.6Very low99 Ų99151.5 Ų151.567%0.66977%0.774SS**  trans74.6116.2157.5-62.50000120.4
480S26.5Very low28.7Very low107 Ų107150.1 Ų150.175%0.74878%0.779SS**  trans68.6145.8136.9-46.10000118.5
481D27.3Very low28.8Very low143 Ų143148.4 Ų148.477%0.76578%0.778SS**  cis-153.8168.23.8-143-35.7000111.5
482S27.1Very low29Very low112 Ų112150 Ų15078%0.78378%0.784SS**  trans44.211115765.30000120.5
483G30.9Very low29.2Very low78 Ų78150 Ų15080%0.80479%0.785SS**  trans-174.5102.5164.300000113.5
484Q32.1Very low29.4Very low191 Ų191148.1 Ų148.189%0.89379%0.786SS**PPolyproline II helixtrans-69.4137.4-175.3-67.1178.2-44.400113.3
485P29.5Very low30Very low122 Ų122147.2 Ų147.279%0.79279%0.788SS**PPolyproline II helixtrans-81.2129.716232-30.2000110.7S487P485-S487 PolarHBondContact O-N 2.75Å
486L30.6Very low30.1Very low180 Ų180139.3 Ų139.394%0.94278%0.781SS**PPolyproline II helixtrans-56.5126-177.4-67.8159.3000112.5
487S29.9Very low30.3Very low103 Ų103137.5 Ų137.572%0.7278%0.782SS**  trans-100.1-180174.176.50000112.3P485P485-S487 PolarHBondContact O-N 2.75Å
488E30.2Very low30.5Very low156 Ų156134.1 Ų134.173%0.72978%0.777SS**  trans66.1124.3172.4-63.6-170.1137.100118.4
489R30.6Very low30.9Very low248 Ų248135.6 Ų135.694%0.93678%0.782SS**  trans-128.991.7160.9-170.1169.6-74.7-179.6-1.9110.5
490A29.3Very low31.1Very low87 Ų87136.9 Ų136.972%0.71979%0.787SS**  trans63.667.7159.600000118.1
491V32Very low31.4Very low108 Ų108139.9 Ų139.966%0.65579%0.792SS**  trans-69.4123145175.50000107.7K493V491-K493 PolarHBondContact O-N 2.89Å
492W31.1Very low31.5Very low220 Ų220141.2 Ų141.283%0.83379%0.794SS**  trans-72.5109.2166.9-99.881.7000108.8
493K30.5Very low31.8Very low156 Ų156145.6 Ų145.668%0.67880%0.799SS**PPolyproline II helixtrans-85.4131.8164.8-66.3177.1-179172.10107.5V491V491-K493 PolarHBondContact O-N 2.89Å
494P34.4Very low31.7Very low112 Ų112145.7 Ų145.773%0.72779%0.792SS**PPolyproline II helixtrans-64153.3172.728.2-34.1000110.2G496P494-G496 PolarHBondContact O-N 3.29Å
495P38.7Very low31.7Very low120 Ų120146.3 Ų146.378%0.77979%0.788SS**PPolyproline II helixtrans-58124.3171-20.932.7000110V497P495-V497 PolarHBondContact O-N 3.09Å
496G32.8Very low31.7Very low73 Ų73150.1 Ų150.175%0.75379%0.788SS**PPolyproline II helixtrans-66.4129.5177.900000111.1P494 A498P494-G496 PolarHBondContact O-N 3.29Å; G496-A498 PolarHBondContact O-N 2.97Å
497V32.4Very low31.8Very low141 Ų141147 Ų14786%0.85578%0.781SS**  trans-63.598.3176.11790000109.8P495P495-V497 PolarHBondContact O-N 3.09Å
498A33Very low31.7Very low93 Ų93153.5 Ų153.577%0.76979%0.79SS**PPolyproline II helixtrans-73.5126.1170.100000109.4G496G496-A498 PolarHBondContact O-N 2.97Å
499K34.4Very low31.9Very low199 Ų199150.5 Ų150.587%0.86578%0.783SS**PPolyproline II helixtrans-73.3140-177.4-70.6-179177.8178.90112
500T29.2Very low31.8Very low126 Ų126144.3 Ų144.377%0.77377%0.774SS**PPolyproline II helixtrans-53.3131.9179.4-44.20000114.3Q502T500-Q502 HydrophobicContact CG2-CG 4.33Å
501I33.6Very low31.9Very low170 Ų170146.4 Ų146.487%0.87278%0.778SS**  trans-130.2128.7147.8-64.5-176000107.9
502Q29.9Very low31.9Very low170 Ų170146.6 Ų146.679%0.79478%0.781SS**  trans-82.3140-178.6-65.7165.9-33.200112.1T500T500-Q502 HydrophobicContact CG2-CG 4.33Å
503K32.4Very low31.8Very low204 Ų204144.6 Ų144.689%0.88779%0.786SS**  trans177.292.3148-99.2167.2-175.7-172.50105.6
504A29Very low31.6Very low80 Ų80142.4 Ų142.466%0.66179%0.79SS**  7314073.800000113.7
505Y32Very low31.5Very low204 Ų204142.6 Ų142.680%0.879%0.794SS**  trans93.393.3170.8-62.7-97.9000120.1
506Y30.8Very low31Very low202 Ų202147.8 Ų147.879%0.79280%0.798SS**  trans63.6137.8134.1-66.7-88.4000125.6
507S31.6Very low30.8Very low114 Ų114150 Ų15080%0.79780%0.797SS**  trans83.8111.8143.7-60.60000122.6
508R27.8Very low30.7Very low241 Ų241147.8 Ų147.891%0.90979%0.788SS**  trans-75.4178.4147.3-115.6-167.6173.4-160.40.7109.6
509P34Very low30.7Very low92 Ų92152.8 Ų152.860%0.59779%0.793SS**  cis-137-171.59.433-8.7000116
510T29.5Very low30.7Very low119 Ų119148.9 Ų148.973%0.7379%0.79SS**  trans45.3127.9149.445.40000119.7
511T30.8Very low30.7Very low131 Ų131146.9 Ų146.980%0.80480%0.795SS**  cis-171.9172.642.30.60000109
512P32.4Very low30.7Very low112 Ų112142.1 Ų142.173%0.72779%0.788SS**  trans-96.4151.8-164.637.2-34.8000115
513L28.9Very low31Very low177 Ų177141.1 Ų141.193%0.92779%0.786SS**  trans-167.7137.7141.3-106.4149.8000114.7
514S26.5Very low31.2Very low110 Ų110135.4 Ų135.477%0.76977%0.77SS**  trans-29.1131.9170.8-173.70000119.5
515S31.9Very low31.7Very low116 Ų116141 Ų14181%0.81177%0.774SS**  -165.5149.5118.650.90000113.5
516R28.6Very low32.1Very low230 Ų230139.8 Ų139.887%0.86877%0.768SS**  trans-65.8160.2173.9-62.1159.9142.2-155.9-3109.9
517T29Very low32.5Very low118 Ų118134.1 Ų134.172%0.72476%0.755SS**  -163.1148.351.144.50000115
518S30Very low32.8Very low95 Ų95132.4 Ų132.466%0.66475%0.747SS**  trans51.6118.2146.559.90000121.6
519F32.9Very low33.2Very low199 Ų199123.6 Ų123.687%0.87373%0.726SS**  -170.2156.3108.2-107.3-81000110.7
520S33.8Very low33.3Very low117 Ų117129 Ų12982%0.81874%0.735SS**  trans-0.1142.5172.156.80000121
521G29.8Very low33.4Very low84 Ų84127.2 Ų127.287%0.86673%0.732SS**  cis159.9117.32.100000110.8
522G33.6Very low33.7Very low70 Ų70125.6 Ų125.672%0.72273%0.726SS**  trans-177.8134.6-177.500000111.9P524G522-P524 WeakPolarHBondContact O-CD 3.45Å
523I36.9Very low33.8Very low148 Ų148130.6 Ų130.676%0.75973%0.73SS**  trans-78122.4-161.8-59.6172000112T527I523-T527 HydrophobicContact CG2-CG2 4.24Å
524P35.1Very low33.7Very low85 Ų85126.6 Ų126.655%0.55272%0.717SS**  trans-69.6146.5178.9-20.533.4000114G522 R526 T527G522-P524 WeakPolarHBondContact O-CD 3.45Å; P524-R526 PolarHBondContact O-N 3.24Å; P524-T527 PolarHBondContact O-N 3.2Å
525W38.9Very low33.9Very low198 Ų198133.4 Ų133.475%0.7573%0.726SS**THydrogen-bonded Turntrans-49.1-25.6179.169.1-75.7000115.8T527 A528 A529W525-T527 PolarHBondContact O-N 3.05Å; W525-A528 PolarHBondContact O-N 3.12Å; W525-A529 PolarHBondContact O-N 3.35Å
526R40.4Very low33.6Very low177 Ų177131 Ų13167%0.66872%0.72SS**THydrogen-bonded Turntrans-63.3-21.1176.8-65.4-175.9179.9-91.53.7113.8P524 R530P524-R526 PolarHBondContact O-N 3.24Å; R526-R530 PolarHBondContact O-N 3.32Å
527T40.2Very low33.5Very low83 Ų83131.2 Ų131.251%0.50972%0.722SS.*THydrogen-bonded Turntrans-75.4-37.2175.5-56.10000111.9I523 P524 W525 A529 R530 A531I523-T527 HydrophobicContact CG2-CG2 4.24Å; P524-T527 PolarHBondContact O-N 3.2Å; W525-T527 PolarHBondContact O-N 3.05Å; T527-A529 VanDerWaalsContact C-N 3.3Å; T527-A529 PolarHBondContact O-N 3.01Å; T527-R530 PolarHBondContact O-N 3.48Å; T527-A531 PolarHBondContact O-N 3.04Å
528A37.4Very low33.3Very low78 Ų78129.8 Ų129.865%0.64572%0.715SS**Hα-helixtrans-64.1-36.2173.700000111.8W525 R530 A531W525-A528 PolarHBondContact O-N 3.12Å; A528-R530 VanDerWaalsContact C-N 3.3Å; A528-R530 PolarHBondContact O-N 3.45Å; A528-A531 PolarHBondContact O-N 3.09Å
529A36.3Very low33Very low56 Ų56131 Ų13146%0.46372%0.723SS.*Hα-helixtrans-74.4-10.8176.100000115W525 T527 S532W525-A529 PolarHBondContact O-N 3.35Å; T527-A529 VanDerWaalsContact C-N 3.3Å; T527-A529 PolarHBondContact O-N 3.01Å; A529-S532 PolarHBondContact O-OG 3.08Å
530R36.4Very low32.7Very low207 Ų207129.2 Ų129.278%0.78172%0.715SS**Hα-helixtrans-97.1-25.4172-84.6-173.7170-171.9-2.6113.3R526 T527 A528 S532 R533R526-R530 PolarHBondContact O-N 3.32Å; T527-R530 PolarHBondContact O-N 3.48Å; A528-R530 VanDerWaalsContact C-N 3.3Å; A528-R530 PolarHBondContact O-N 3.45Å; R530-S532 PolarHBondContact O-N 3.3Å; R530-R533 PolarHBondContact O-N 3.16Å
531A32.2Very low32.3Very low81 Ų81132.9 Ų132.967%0.66972%0.719SS**Hα-helixtrans-67.8-17.117800000114T527 A528 R533T527-A531 PolarHBondContact O-N 3.04Å; A528-A531 PolarHBondContact O-N 3.09Å; A531-R533 VanDerWaalsContact C-N 3.32Å; A531-R533 PolarHBondContact O-N 3.41Å
532S35.5Very low32.1Very low96 Ų96133 Ų13367%0.67171%0.706SS**THydrogen-bonded Turntrans-82.64.4179.252.20000115.2A529 R530A529-S532 PolarHBondContact O-OG 3.08Å; R530-S532 PolarHBondContact O-N 3.3Å
533R34.8Very low31.8Very low217 Ų217134.2 Ų134.282%0.81970%0.701SS**THydrogen-bonded Turntrans-110.68.9-175.1-65.9-169.9176.5-131.4-1.5115.5R530 A531R530-R533 PolarHBondContact O-N 3.16Å; A531-R533 VanDerWaalsContact C-N 3.32Å; A531-R533 PolarHBondContact O-N 3.41Å
534S28.2Very low31.5Very low94 Ų94130.5 Ų130.566%0.65770%0.699SS**SBendtrans-142.170.4-166.5-55.90000115.4
535R29.7Very low31.5Very low252 Ų252133.4 Ų133.495%0.95170%0.703SS**  trans175.3129.9143.9-96.8154.5-174-1711.5109.5
536G26.1Very low31.5Very low66 Ų66125.2 Ų125.268%0.6868%0.675SS**  trans-81.7-161.1-179.600000114.1
537Y25.8Very low31.5Very low235 Ų235118 Ų11892%0.92265%0.652SS**  trans87.4150-172.1-66.2-80.8000115.6
538P25.2Very low31.4Very low88 Ų88115.5 Ų115.557%0.57164%0.635SS**  -129.1163.6-5324.9-5.5000112.8F540P538-F540 HydrophobicContact CB-CD2 3.98Å; P538-F540 HydrophobicContact CB-CE2 3.86Å; P538-F540 HydrophobicContact CG-CD2 3.8Å; P538-F540 HydrophobicContact CG-CE2 3.81Å; P538-F540 PolarHBondContact O-N 3.03Å; P538-F540 VanDerWaalsContact O-N 3.13Å
539S23.5Very low31.3Very low119 Ų119116 Ų11683%0.83262%0.624SS**  trans-73.298.4176.354.40000112.6
540F26.3Very low31.2Very low163 Ų163116.1 Ų116.172%0.71562%0.621SS**  trans-129.789.9170.6-75.7-74.3000112.8P538 C542P538-F540 HydrophobicContact CB-CD2 3.98Å; P538-F540 HydrophobicContact CB-CE2 3.86Å; P538-F540 HydrophobicContact CG-CD2 3.8Å; P538-F540 HydrophobicContact CG-CE2 3.81Å; P538-F540 PolarHBondContact O-N 3.03Å; P538-F540 VanDerWaalsContact O-N 3.13Å; F540-C542 PolarHBondContact O-N 3.45Å
541Q25.1Very low31.2Very low194 Ų194107.8 Ų107.891%0.90759%0.59SS**  trans-75.3101.2157.7-75.8172.3-26.100108.7
542C26Very low31.3Very low87 Ų87106 Ų10659%0.58858%0.575SS**  trans-114.799.7172.1-68.50000110F540 G544F540-C542 PolarHBondContact O-N 3.45Å; C542-G544 VanDerWaalsContact C-N 3.3Å; C542-G544 PolarHBondContact O-N 3.39Å
543P27.6Very low31Very low95 Ų95106.3 Ų106.362%0.61757%0.569SS**THydrogen-bonded Turntrans-80.766.4-17433.4-36.4000112.5R49R49-P543 PolarHBondContact NH1-O 2.96Å
544G31.9Very low30.9Very low70 Ų70100.8 Ų100.872%0.72255%0.552SS**THydrogen-bonded Turntrans-166.310.7-176.100000119.5C542C542-G544 VanDerWaalsContact C-N 3.3Å; C542-G544 PolarHBondContact O-N 3.39Å
545K33.8Very low31Very low145 Ų14599.3 Ų99.363%0.6354%0.536SS*.  trans-90.4144.4173.1-65.5-168.6177.2-170.90111.1
546T38.6Very low31.1Very low26 Ų2691 Ų9116%0.1651%0.511CS..  trans-76.9159.7179.963.50000111.8H37 L548 E549 S550H37-T546 PolarHBondContact CE1-OG1 3.37Å; T546-L548 VanDerWaalsContact C-N 3.27Å; T546-L548 PolarHBondContact O-N 2.73Å; T546-E549 WeakPolarHBondContact CB-OE2 3.44Å; T546-E549 PolarHBondContact N-OE2 3.45Å; T546-E549 PolarHBondContact O-N 3.07Å; T546-E549 VanDerWaalsContact OG1-CG 3.32Å; T546-E549 WeakPolarHBondContact OG1-CG 3.49Å; T546-E549 PolarHBondContact OG1-N 3.11Å; T546-E549 PolarHBondContact OG1-OE2 3.22Å; T546-S550 PolarHBondContact O-N 2.86Å; T546-S550 PolarHBondContact O-OG 3.42Å
547C41.7Very low31.4Very low27 Ų2797.4 Ų97.418%0.18252%0.516CS..Hα-helixtrans-69.2-29.8178.5-168.50000111.5R74 S550 R551R74-C547 PolarHBondContact NH1-SG 3.3Å; R74-C547 VanDerWaalsContact NH1-SG 3.36Å; C547-S550 PolarHBondContact O-N 3.33Å; C547-R551 WeakPolarHBondContact O-CB 3.42Å; C547-R551 PolarHBondContact O-N 2.88Å
548L38Very low31.7Very low30 Ų3092.3 Ų92.316%0.15751%0.505CS..Hα-helixtrans-58.3-51.8168.7-88.2149.3000112.8H37 V42 D44 L375 T546 S550 R551 A552H37-L548 HydrophobicContact CB-CD1 3.89Å; H37-L548 VanDerWaalsContact CD2-CD1 3.48Å; H37-L548 WeakPolarHBondContact CD2-CD1 3.48Å; V42-L548 HydrophobicContact CB-CD1 4.33Å; V42-L548 HydrophobicContact CG1-CD1 3.48Å; V42-L548 VanDerWaalsContact CG1-CD1 3.48Å; D44-L548 HydrophobicContact CB-CD1 4.11Å; L375-L548 HydrophobicContact CD2-CD2 4.08Å; T546-L548 VanDerWaalsContact C-N 3.27Å; T546-L548 PolarHBondContact O-N 2.73Å; L548-S550 PolarHBondContact O-N 2.92Å; L548-R551 PolarHBondContact O-N 3.3Å; L548-A552 WeakPolarHBondContact O-CB 3.34Å; L548-A552 PolarHBondContact O-N 3.36Å
549E35.9Very low31.9Very low87 Ų8793.1 Ų93.141%0.40750%0.504SS..Hα-helixtrans-61-36.6175.5-67.5163.5114.100111.6T546 L553T546-E549 WeakPolarHBondContact CB-OE2 3.44Å; T546-E549 PolarHBondContact N-OE2 3.45Å; T546-E549 PolarHBondContact O-N 3.07Å; T546-E549 VanDerWaalsContact OG1-CG 3.32Å; T546-E549 WeakPolarHBondContact OG1-CG 3.49Å; T546-E549 PolarHBondContact OG1-N 3.11Å; T546-E549 PolarHBondContact OG1-OE2 3.22Å; E549-L553 WeakPolarHBondContact O-CB 3.33Å; E549-L553 WeakPolarHBondContact O-CG 3.38Å; E549-L553 PolarHBondContact O-N 2.85Å
550S33.1Very low32.3Very low59 Ų5993.3 Ų93.341%0.41350%0.499SS..Hα-helixtrans-68.9-37178.7-53.60000112.9T546 C547 L548T546-S550 PolarHBondContact O-N 2.86Å; T546-S550 PolarHBondContact O-OG 3.42Å; C547-S550 PolarHBondContact O-N 3.33Å; L548-S550 PolarHBondContact O-N 2.92Å
551R37.2Very low32.5Very low33 Ų3392.7 Ų92.713%0.12550%0.504CS..Hα-helixtrans-79-33.9174.6-77.6177.1159.9164.4-6.5111.7R74 E125 Y370 C547 L548 H554 L555R74-R551 VanDerWaalsContact CZ-NH1 3.34Å; E125-R551 IonicContact OE1-CZ 3.25Å; E125-R551 IonicContact OE1-NH1 2.75Å; E125-R551 PolarHBondContact OE1-NH1 2.99Å; E125-R551 IonicContact OE1-NH2 2.75Å; E125-R551 IonicContact OE2-NH1 2.98Å; E125-R551 PolarHBondContact OE2-NH1 2.81Å; Y370-R551 PolarHBondContact O-NH2 2.83Å; Y370-R551 VanDerWaalsContact O-NH2 3.13Å; C547-R551 WeakPolarHBondContact O-CB 3.42Å; C547-R551 PolarHBondContact O-N 2.88Å; L548-R551 PolarHBondContact O-N 3.3Å; R551-H554 CarbonylContact O-C 2.93Å; R551-H554 WeakPolarHBondContact O-CA 3.05Å; R551-H554 VanDerWaalsContact O-CB 3.3Å; R551-H554 WeakPolarHBondContact O-CB 3.29Å; R551-H554 PolarHBondContact O-N 3.42Å; R551-L555 PolarHBondContact O-N 3.46Å
552A33Very low32.9Very low42 Ų4291.9 Ų91.935%0.34750%0.497SS..Hα-helixtrans-69.4-45.1176.900000112.5L548 H554 L555 D556L548-A552 WeakPolarHBondContact O-CB 3.34Å; L548-A552 PolarHBondContact O-N 3.36Å; A552-H554 PolarHBondContact O-N 2.95Å; A552-L555 CarbonylContact O-C 3.37Å; A552-L555 WeakPolarHBondContact O-CA 3.38Å; A552-L555 WeakPolarHBondContact O-CB 3.48Å; A552-L555 PolarHBondContact O-N 2.83Å; A552-D556 PolarHBondContact O-N 3.37Å
553L30.1Very low33.1Very low103 Ų10396.1 Ų96.154%0.53951%0.508SS..THydrogen-bonded Turntrans-61.1-16.1170.5-69.8170.2000112.8E549E549-L553 WeakPolarHBondContact O-CB 3.33Å; E549-L553 WeakPolarHBondContact O-CG 3.38Å; E549-L553 PolarHBondContact O-N 2.85Å
554H32.1Very low33.1Very low102 Ų10297 Ų9747%0.47252%0.516SS..THydrogen-bonded Turntrans-89.8-10.1171.8-10562.9000114.5K354 R551 A552K354-H554 PolarHBondContact NZ-CD2 2.96Å; K354-H554 PolarHBondContact NZ-O 3.27Å; R551-H554 CarbonylContact O-C 2.93Å; R551-H554 WeakPolarHBondContact O-CA 3.05Å; R551-H554 VanDerWaalsContact O-CB 3.3Å; R551-H554 WeakPolarHBondContact O-CB 3.29Å; R551-H554 PolarHBondContact O-N 3.42Å; A552-H554 PolarHBondContact O-N 2.95Å
555L31.2Very low33Very low63 Ų6399 Ų9933%0.3352%0.519SS..THydrogen-bonded Turntrans-103-32.1175.6-73.7161.5000112.2R551 A552 Y557 N558R551-L555 PolarHBondContact O-N 3.46Å; A552-L555 CarbonylContact O-C 3.37Å; A552-L555 WeakPolarHBondContact O-CA 3.38Å; A552-L555 WeakPolarHBondContact O-CB 3.48Å; A552-L555 PolarHBondContact O-N 2.83Å; L555-Y557 PolarHBondContact O-N 2.99Å; L555-N558 PolarHBondContact O-N 3.38Å
556D31.4Very low32.8Very low77 Ų7799.8 Ų99.841%0.41253%0.53SS..G310 helixtrans-58.9-17.7-178.9-79.8-35.4000114.8A552 N558 L559A552-D556 PolarHBondContact O-N 3.37Å; D556-N558 PolarHBondContact O-N 2.99Å; D556-L559 PolarHBondContact O-N 3.41Å; D556-L559 VanDerWaalsContact O-N 3.17Å
557Y32Very low32.2Very low201 Ų201104.2 Ų104.279%0.78856%0.557SS**G310 helixtrans-60.2-14.1171.2-121.2-87.9000113.9L555L555-Y557 PolarHBondContact O-N 2.99Å
558N32Very low31.7Very low128 Ų128109.7 Ų109.768%0.68459%0.585SS**G310 helixtrans-102.5-8.2178.1-69.7-20.9000114.8L555 D556L555-N558 PolarHBondContact O-N 3.38Å; D556-N558 PolarHBondContact O-N 2.99Å
559L30.7Very low31.2Very low105 Ų105114.2 Ų114.255%0.5561%0.609SS.*THydrogen-bonded Turntrans-97.3-26.1179.8-9092.5000114.4D556 N561 K562D556-L559 PolarHBondContact O-N 3.41Å; D556-L559 VanDerWaalsContact O-N 3.17Å; L559-N561 PolarHBondContact O-N 2.99Å; L559-K562 PolarHBondContact O-N 2.94Å
560V30.7Very low30.8Very low122 Ų122116.5 Ų116.574%0.73962%0.623SS**THydrogen-bonded Turntrans-69.3-15.2-175.6-179.90000113.4
561N31.2Very low30.6Very low151 Ų151119.7 Ų119.781%0.80764%0.635SS**THydrogen-bonded Turntrans-10313.8-179.7-73.2-16.1000114.9L559L559-N561 PolarHBondContact O-N 2.99Å
562K33.8Very low30.2Very low177 Ų177125 Ų12577%0.7766%0.661SS**SBendtrans-114.810.4179.3-95.1-174.3174.4-177.10115.4L559L559-K562 PolarHBondContact O-N 2.94Å
563Q29Very low29.9Very low176 Ų176128.3 Ų128.382%0.82267%0.673SS**SBendtrans-126.972.6178.4-66.8-174.1-0.500112
564S28.1Very low29.8Very low112 Ų112129.5 Ų129.578%0.78368%0.68SS**  trans-166.6130.4163.2-83.60000111.9
565S29.6Very low29.7Very low113 Ų113130.4 Ų130.479%0.7969%0.688SS**SBendtrans64.4132.7177.473.90000117.4
566N29.6Very low29.6Very low161 Ų161135.9 Ų135.986%0.86171%0.71SS**  cis-147.5126.8-14.9-123.1-3.4000112.2
567V26.9Very low29.5Very low120 Ų120137.8 Ų137.873%0.72773%0.729SS**  trans-58.9133.8165.8171.30000110.3
568N30.7Very low29.3Very low141 Ų141133.8 Ų133.875%0.75473%0.725SS**  trans168.5137.8145.1-88.7-28.8000109.1
569N27.3Very low29Very low125 Ų125134.5 Ų134.567%0.66873%0.727SS**  cis-166.7177.2-16.6-148-23.1000107.9
570I28.4Very low28.8Very low136 Ų136136.8 Ų136.870%0.69774%0.74SS**  trans75.394.4167.3-56.8158.2000113.6
571N27.3Very low28.9Very low125 Ų125135.4 Ų135.467%0.66873%0.733SS**  76.5136.290.5-68.8-27.6000113.3
572Q28.4Very low28.5Very low144 Ų144138 Ų13867%0.67373%0.733SS**  cis-163.2155.17.3-119.4167.829.400111
573N27.5Very low28.1Very low113 Ų113133 Ų13360%0.60473%0.725SS**  trans54.4109.5141.9-61.7-10.7000119.2
574N28.6Very low28Very low127 Ų127133.5 Ų133.568%0.67972%0.724SS**  111.2147.589.4-80.4-6.5000109.1
575N29.1Very low27.8Very low121 Ų121133.7 Ų133.765%0.64772%0.721SS**  cis-151.2137.9-6.9-110.4-31000110.6
576K29Very low27.7Very low178 Ų178134.7 Ų134.777%0.77472%0.717SS**  trans2.9121.5137.9-62.2173.5175.5-178.60117.9
577S29.4Very low27.7Very low117 Ų117131.5 Ų131.582%0.81870%0.7SS**  -170.5148.9125.5390000109.8
578V27.6Very low27.5Very low117 Ų117132.3 Ų132.371%0.70969%0.69SS**  cis157.9136.6-19.6138.60000104.9
579I26.8Very low27.4Very low143 Ų143131.4 Ų131.473%0.73369%0.689SS**  trans72.8111168.9-69.9159.5000115.9
580L26.2Very low27.2Very low154 Ų154131.1 Ų131.181%0.80669%0.692SS**  55.9159.271.5-71.3164000114.2
581P32.4Very low27.2Very low92 Ų92128 Ų12860%0.59769%0.686SS**  cis-142.6-159.7-44.243.2-26.3000112.2
582Y23.6Very low27.1Very low205 Ų205129.7 Ų129.780%0.80470%0.695SS**  trans67.5120.6162.1-87.4-122.9000116.1
583A24.9Very low27Very low74 Ų74126.2 Ų126.261%0.61270%0.698SS**  82.3136.963.800000115.4
584K25.9Very low26.8Very low185 Ų185126.5 Ų126.580%0.80471%0.707SS**  trans75.1161.9169.1-58.4172.6178.9169.90117.1
585T25.2Very low26.7Very low116 Ų116128.7 Ų128.771%0.71271%0.713SS**  trans75.8133.4167.4-5.60000112
586L26.2Very low26.5Very low134 Ų134128.6 Ų128.670%0.70272%0.721SS**  cis-143.3138.230.9-77152.3000111.2
587N29.4Very low26.5Very low94 Ų94127 Ų12750%0.50372%0.716SS.*  84.2130.5117.9-66.1-7000114.4R820N587-R820 VanDerWaalsContact N-NH2 3.19Å; N587-R820 PolarHBondContact OD1-NH1 2.71Å; N587-R820 PolarHBondContact OD1-NH2 3.06Å
588R23.5Very low26.5Very low137 Ų137130.9 Ų130.952%0.51772%0.721SS.*  cis62.36618.3-152.1-162-143.9177.918.1114.5V590 T819R588-V590 HydrophobicContact CG-CG2 4.49Å; R588-T819 PolarHBondContact NH1-O 2.97Å; R588-T819 VanDerWaalsContact NH1-O 3.09Å; R588-T819 PolarHBondContact NH2-O 2.99Å; R588-T819 PolarHBondContact NH2-OG1 3.25Å
589V27.7Very low26.6Very low122 Ų122131.7 Ų131.774%0.73972%0.717SS**  trans-134.1112.6140.9-169.10000102.2
590V24.9Very low27Very low120 Ų120132.6 Ų132.673%0.72772%0.717SS**  68.2152.156.3-174.50000110.6R588R588-V590 HydrophobicContact CG-CG2 4.49Å
591A27Very low27.3Very low69 Ų69133.4 Ų133.457%0.5772%0.717SS**  trans71.1112.3-173.300000112.8
592D26.5Very low27.3Very low162 Ų162134 Ų13487%0.86672%0.721SS**  75125.985.7-54.2-35.6000109.5
593G24.9Very low27.8Very low71 Ų71132.9 Ų132.973%0.73272%0.723SS**  cis95.966.34200000109
594C25Very low27.9Very low118 Ų118135.1 Ų135.180%0.79773%0.729SS**  trans-148.8123.3160.7-91.60000107.8
595H25.9Very low28.2Very low173 Ų173135.3 Ų135.380%0.80173%0.733SS**  62.388.875.3-90.169.7000113.1
596C25.6Very low28.5Very low120 Ų120137.9 Ų137.981%0.81174%0.737SS**  trans-137.996.9131.8-81.70000104.9
597Q28.5Very low28.7Very low143 Ų143138.1 Ų138.167%0.66873%0.734SS**  61.99494.5-72-175.5-18.100112.9
598H28.3Very low28.6Very low200 Ų200143 Ų14393%0.92675%0.746SS**  -120.5128.8119.4-94.7-79.2000108.5
599H31Very low28.7Very low134 Ų134144.8 Ų144.862%0.6276%0.764SS**  trans-56.1154.7159.4-68.2-74000109.2
600H34.9Very low28.7Very low161 Ų161142 Ų14275%0.74576%0.76SS**  cis-135.2139.632-70.5-85.2000110.2
601Q31.6Very low28.9Very low171 Ų171144.9 Ų144.980%0.79977%0.765SS**  60.5143.786.5-89.2-167.3-27.200115.2
602P33.2Very low29.1Very low104 Ų104147.3 Ų147.368%0.67577%0.769SS**  -121.2168.6-129.540.8-30.1000113.9
603Q34.9Very low29.1Very low183 Ų183149.7 Ų149.786%0.85577%0.766SS**  -175.4151.5124-100.1158.729.800113.3
604T27Very low29.5Very low120 Ų120154.6 Ų154.674%0.73677%0.769SS**  trans-43134.7165.144.60000114.7
605Q31.7Very low29.7Very low190 Ų190155.5 Ų155.589%0.88876%0.76SS**  -169.8164.8107-102.3173.716.800112.4
606Q30.5Very low30Very low169 Ų169151.5 Ų151.579%0.7975%0.751SS**  trans-88.5166.3-174.6-64171.5-18.400112.2
607Q31Very low30Very low140 Ų140147.5 Ų147.565%0.65472%0.724SS**  trans86.2140.4158.3-47.1-172.915.100118.5
608R26.8Very low30.3Very low197 Ų197143.4 Ų143.474%0.74371%0.712SS**  trans86.395.3142.5-136.3167.1-67.8-126.81.7117.9
609L25.7Very low30.6Very low173 Ų173141 Ų14191%0.90670%0.699SS**  trans53.4119131.2-68.9163.3000119.4
610G27.2Very low30.6Very low63 Ų63138.7 Ų138.765%0.64969%0.69SS**  trans123.5132.1146.300000115.8
611H29Very low30.5Very low181 Ų181134.7 Ų134.784%0.83867%0.674SS**  trans55.495.1152.2-55.586.3000117.9
612N31.2Very low30.7Very low121 Ų121130.6 Ų130.665%0.64766%0.664SS**  trans-170.138.2137.4-100.7-72.3000112.2Q614 K615N612-Q614 PolarHBondContact O-N 3.22Å; N612-K615 VanDerWaalsContact OD1-CE 3.27Å; N612-K615 WeakPolarHBondContact OD1-CE 3.32Å; N612-K615 PolarHBondContact OD1-NZ 2.84Å
613R26.8Very low30.9Very low211 Ų211134.9 Ų134.980%0.79667%0.667SS**THydrogen-bonded Turntrans-78.693.1163.4-83.4-179.7166170-7.2107.8E743R613-E743 IonicContact NH2-OE1 2.66Å
614Q32.8Very low31.1Very low174 Ų174129.4 Ų129.481%0.81364%0.643SS**THydrogen-bonded Turntrans-179.2-8.4169.4-111.2169.4-0.400115N612N612-Q614 PolarHBondContact O-N 3.22Å
615K30.8Very low31.2Very low137 Ų137128.3 Ų128.360%0.59664%0.64SS**THydrogen-bonded Turntrans-89.62.5-165.4-79.1175.7172.81600117.6N612 S618N612-K615 VanDerWaalsContact OD1-CE 3.27Å; N612-K615 WeakPolarHBondContact OD1-CE 3.32Å; N612-K615 PolarHBondContact OD1-NZ 2.84Å; K615-S618 WeakPolarHBondContact CA-OG 3.09Å; K615-S618 PolarHBondContact O-OG 3.48Å
616S30.9Very low31.5Very low89 Ų89121.9 Ų121.962%0.62262%0.616SS**THydrogen-bonded Turntrans-81.2-57.4175.547.50000111.7S618 K619S616-S618 VanDerWaalsContact C-N 3.28Å; S616-S618 PolarHBondContact O-N 2.97Å; S616-K619 PolarHBondContact O-N 3.49Å
617C27.2Very low32.3Very low36 Ų36119.5 Ų119.524%0.24362%0.615CS.*THydrogen-bonded Turntrans-62.2-32.9178.4-72.50000112.8K619 I620 N621C617-K619 PolarHBondContact O-N 3.32Å; C617-I620 PolarHBondContact O-N 3.43Å; C617-N621 PolarHBondContact O-N 3.13Å
618S34.4Very low33.3Very low57 Ų57120 Ų12040%0.39962%0.617SS.*Hα-helixtrans-58.9-23.8178.171.40000114K615 S616 I620 S622K615-S618 WeakPolarHBondContact CA-OG 3.09Å; K615-S618 PolarHBondContact O-OG 3.48Å; S616-S618 VanDerWaalsContact C-N 3.28Å; S616-S618 PolarHBondContact O-N 2.97Å; S618-I620 VanDerWaalsContact C-N 3.35Å; S618-S622 VanDerWaalsContact O-CB 3.31Å; S618-S622 WeakPolarHBondContact O-CB 3.46Å; S618-S622 PolarHBondContact O-N 3.18Å; S618-S622 VanDerWaalsContact O-N 3.08Å; S618-S622 PolarHBondContact O-OG 3.07Å
619K34.4Very low34.3Very low151 Ų151112.6 Ų112.666%0.65759%0.593SS**Hα-helixtrans-78.8-12.8177.4-89.4-179.4174175.60114.6S616 C617 R623S616-K619 PolarHBondContact O-N 3.49Å; C617-K619 PolarHBondContact O-N 3.32Å; K619-R623 WeakPolarHBondContact O-CG 3.5Å
620I31.5Very low35.5Very low84 Ų84109.9 Ų109.943%0.43159%0.588SS.*Hα-helixtrans-88-50.1173-62.5176.3000108.4C617 S618 S622 R623 I624C617-I620 PolarHBondContact O-N 3.43Å; S618-I620 VanDerWaalsContact C-N 3.35Å; I620-S622 VanDerWaalsContact C-N 3.3Å; I620-S622 PolarHBondContact O-N 2.81Å; I620-R623 PolarHBondContact O-N 3.5Å; I620-I624 HydrophobicContact CG2-CD1 4.41Å
621N31Very low36.7Very low78 Ų78110.4 Ų110.442%0.41759%0.594SS.*Hα-helixtrans-58.7-39.3176.1-70-8000112.4C617 R623 I624C617-N621 PolarHBondContact O-N 3.13Å; N621-R623 PolarHBondContact O-N 3.36Å; N621-R623 VanDerWaalsContact O-N 3.08Å; N621-I624 PolarHBondContact O-N 3.05Å; N621-I624 VanDerWaalsContact O-N 3.16Å
622S36.1Very low38.1Very low85 Ų85105 Ų10559%0.59457%0.57SS**THydrogen-bonded Turntrans-69.5-2.1177.381.60000115.4S618 I620S618-S622 VanDerWaalsContact O-CB 3.31Å; S618-S622 WeakPolarHBondContact O-CB 3.46Å; S618-S622 PolarHBondContact O-N 3.18Å; S618-S622 VanDerWaalsContact O-N 3.08Å; S618-S622 PolarHBondContact O-OG 3.07Å; I620-S622 VanDerWaalsContact C-N 3.3Å; I620-S622 PolarHBondContact O-N 2.81Å
623R38.5Very low39.7Very low193 Ų193103.7 Ų103.773%0.72856%0.563SS**THydrogen-bonded Turntrans-99.9-7.2174-72.8178.6173.9-172-1113.4K619 I620 N621K619-R623 WeakPolarHBondContact O-CG 3.5Å; I620-R623 PolarHBondContact O-N 3.5Å; N621-R623 PolarHBondContact O-N 3.36Å; N621-R623 VanDerWaalsContact O-N 3.08Å
624I37.7Very low41.2Very low68 Ų6896.9 Ų96.935%0.34954%0.539SS..THydrogen-bonded Turntrans-100-38.3-171.4-64.4166.1000110.3I620 N621 S626 C728I620-I624 HydrophobicContact CG2-CD1 4.41Å; N621-I624 PolarHBondContact O-N 3.05Å; N621-I624 VanDerWaalsContact O-N 3.16Å; I624-S626 PolarHBondContact O-N 3.25Å; I624-C728 HydrophobicContact CD1-CB 4.33Å
625S31.1Very low42.6Very low98 Ų9895.3 Ų95.369%0.68553%0.532SS*.  trans-73.2112.2173.8-42.50000112.2
626S37.7Very low44.5Very low54 Ų5493.6 Ų93.638%0.37853%0.526SS..  trans-151.4117.4171.2-56.20000109.6I624 E628I624-S626 PolarHBondContact O-N 3.25Å; S626-E628 PolarHBondContact O-N 3.14Å
627P46.8Very low46.1Very low120 Ų12091.5 Ų91.578%0.77951%0.505SS*.G310 helixtrans-67.3-1.1-174.1-2334.4000116.5L629P627-L629 VanDerWaalsContact C-N 3.29Å; P627-L629 PolarHBondContact O-N 3.45Å
628E51.5Low48Very low149 Ų14991.4 Ų91.470%0.69650%0.502SS*.G310 helixtrans-77.9-2.4-162.4-60.1-179158.600115.1S626 S630S626-E628 PolarHBondContact O-N 3.14Å; E628-S630 VanDerWaalsContact C-N 3.28Å; E628-S630 PolarHBondContact O-N 3.49Å
629L48.3Very low49.6Very low42 Ų4294.1 Ų94.122%0.2251%0.507CS..G310 helixtrans-70-20.2177.2-84.1111.9000113.9P627 G631 M632 K637P627-L629 VanDerWaalsContact C-N 3.29Å; P627-L629 PolarHBondContact O-N 3.45Å; L629-G631 VanDerWaalsContact C-N 3.29Å; L629-G631 PolarHBondContact O-N 2.87Å; L629-M632 PolarHBondContact O-N 3.04Å; L629-K637 HydrophobicContact CD2-CD 4.35Å; L629-K637 HydrophobicContact CD2-CG 4.21Å; L629-K637 WeakPolarHBondContact O-CE 3.47Å
630S49.9Very low51.2Low116 Ų11689.9 Ų89.981%0.81149%0.489SS*.G310 helixtrans-65.2-24.8-170.6570000115E628E628-S630 VanDerWaalsContact C-N 3.28Å; E628-S630 PolarHBondContact O-N 3.49Å
631G53Low52.9Low75 Ų7587.4 Ų87.477%0.77348%0.476SS*.G310 helixtrans-104.5-3.5-179.600000116.1L629L629-G631 VanDerWaalsContact C-N 3.29Å; L629-G631 PolarHBondContact O-N 2.87Å
632M57.6Low54.4Low68 Ų6885.5 Ų85.534%0.33547%0.466SS..  trans-82.1134.8-172.6-76.5-167.3163.500113.1L629 H636 K637 H640L629-M632 PolarHBondContact O-N 3.04Å; M632-H636 HydrophobicContact CB-CB 3.9Å; M632-H636 HydrophobicContact CG-CB 4.03Å; M632-H636 HydrophobicContact SD-CB 3.95Å; M632-K637 HydrophobicContact CB-CG 3.67Å; M632-H640 HydrophobicContact SD-CB 4.48Å
633N65.4Low56Low93 Ų9385.5 Ų85.550%0.49746%0.462SS..  trans-63160.8168.593.2-8.4000111.2Q635 H636 K637N633-Q635 VanDerWaalsContact C-N 3.28Å; N633-Q635 PolarHBondContact O-N 3.14Å; N633-Q635 PolarHBondContact OD1-N 3.18Å; N633-Q635 VanDerWaalsContact OD1-N 3.15Å; N633-H636 WeakPolarHBondContact O-CA 3.44Å; N633-H636 PolarHBondContact O-N 3.46Å; N633-H636 PolarHBondContact OD1-N 3.13Å; N633-H636 PolarHBondContact OD1-ND1 2.74Å; N633-K637 PolarHBondContact O-N 3.36Å
634F58.6Low57.2Low68 Ų6878.7 Ų78.730%0.29844%0.438SS..Hα-helixtrans-50.8-44.6-177.2-179.7-93000113.3H636 K637 L638 L703 L717F634-H636 PolarHBondContact O-N 2.89Å; F634-K637 PolarHBondContact O-N 3.48Å; F634-L638 HydrophobicContact CE1-CD2 3.97Å; F634-L638 HydrophobicContact CZ-CD2 4.46Å; F634-L638 VanDerWaalsContact O-CB 3.3Å; F634-L638 WeakPolarHBondContact O-CB 3.4Å; F634-L638 PolarHBondContact O-N 3.37Å; F634-L703 HydrophobicContact CE2-CD1 4.44Å; F634-L703 HydrophobicContact CE2-CD2 4.26Å; F634-L703 HydrophobicContact CZ-CD1 4.28Å; F634-L703 HydrophobicContact CZ-CD2 4.17Å; F634-L717 HydrophobicContact CD2-CD1 3.68Å; F634-L717 HydrophobicContact CD2-CG 4.49Å; F634-L717 HydrophobicContact CE2-CD1 4.12Å; F634-L717 HydrophobicContact CE2-CG 4.49Å
635Q62.9Low58.3Low140 Ų14076.6 Ų76.665%0.65443%0.428SS*.Hα-helixtrans-64.1-37.9177.4-72.7-166.7-2000112.8N633 K639N633-Q635 VanDerWaalsContact C-N 3.28Å; N633-Q635 PolarHBondContact O-N 3.14Å; N633-Q635 PolarHBondContact OD1-N 3.18Å; N633-Q635 VanDerWaalsContact OD1-N 3.15Å; Q635-K639 WeakPolarHBondContact O-CB 3.42Å; Q635-K639 PolarHBondContact O-N 3.18Å
636H70.3Confident59.7Low102 Ų10273.7 Ų73.747%0.47241%0.408SS..Hα-helixtrans-69.6-42.4175.9-85.987.2000112.2M632 N633 F634 K639 H640M632-H636 HydrophobicContact CB-CB 3.9Å; M632-H636 HydrophobicContact CG-CB 4.03Å; M632-H636 HydrophobicContact SD-CB 3.95Å; N633-H636 WeakPolarHBondContact O-CA 3.44Å; N633-H636 PolarHBondContact O-N 3.46Å; N633-H636 PolarHBondContact OD1-N 3.13Å; N633-H636 PolarHBondContact OD1-ND1 2.74Å; F634-H636 PolarHBondContact O-N 2.89Å; H636-K639 PolarHBondContact O-N 2.99Å; H636-H640 WeakPolarHBondContact O-CB 3.31Å; H636-H640 PolarHBondContact O-N 3.03Å
637K65Low61.1Low45 Ų4575 Ų7520%0.19641%0.408CS..Hα-helixtrans-57.8-52.3172.3-70.5-169173.4-174.80111.1L629 M632 N633 F634 K639 H640 L641 L717L629-K637 HydrophobicContact CD2-CD 4.35Å; L629-K637 HydrophobicContact CD2-CG 4.21Å; L629-K637 WeakPolarHBondContact O-CE 3.47Å; M632-K637 HydrophobicContact CB-CG 3.67Å; N633-K637 PolarHBondContact O-N 3.36Å; F634-K637 PolarHBondContact O-N 3.48Å; K637-K639 PolarHBondContact O-N 3.34Å; K637-H640 PolarHBondContact O-N 2.82Å; K637-L641 WeakPolarHBondContact O-CB 3.19Å; K637-L641 PolarHBondContact O-N 2.79Å; K637-L717 HydrophobicContact CD-CD1 4.31Å; K637-L717 HydrophobicContact CD-CD2 3.85Å
638L65.7Low61.8Low33 Ų3372.1 Ų72.117%0.17339%0.386CS..Hα-helixtrans-61.4-42.6179.7-174.365.1000111.9F634 L641 M642F634-L638 HydrophobicContact CE1-CD2 3.97Å; F634-L638 HydrophobicContact CZ-CD2 4.46Å; F634-L638 VanDerWaalsContact O-CB 3.3Å; F634-L638 WeakPolarHBondContact O-CB 3.4Å; F634-L638 PolarHBondContact O-N 3.37Å; L638-L641 PolarHBondContact O-N 3.33Å; L638-M642 WeakPolarHBondContact O-CB 3.33Å; L638-M642 VanDerWaalsContact O-CG 3.23Å; L638-M642 WeakPolarHBondContact O-CG 3.38Å; L638-M642 PolarHBondContact O-N 2.77Å
639K68.9Low62.1Low114 Ų11467.7 Ų67.750%0.49637%0.365SS..Hα-helixtrans-64.1-40.8175.8-175.3177.1-177.5178.80111.9Q635 H636 K637 T643Q635-K639 WeakPolarHBondContact O-CB 3.42Å; Q635-K639 PolarHBondContact O-N 3.18Å; H636-K639 PolarHBondContact O-N 2.99Å; K637-K639 PolarHBondContact O-N 3.34Å; K639-T643 WeakPolarHBondContact O-CB 3.32Å; K639-T643 PolarHBondContact O-N 3.41Å; K639-T643 VanDerWaalsContact O-N 3.08Å; K639-T643 PolarHBondContact O-OG1 3.33Å
640H67.9Low63Low63 Ų6371 Ų7129%0.29238%0.378SS..Hα-helixtrans-64.7-44.5175.9-174.921.8000111.3M632 H636 K637 T643 K644M632-H640 HydrophobicContact SD-CB 4.48Å; H636-H640 WeakPolarHBondContact O-CB 3.31Å; H636-H640 PolarHBondContact O-N 3.03Å; K637-H640 PolarHBondContact O-N 2.82Å; H640-T643 WeakPolarHBondContact O-CB 3.41Å; H640-T643 PolarHBondContact O-N 2.97Å; H640-K644 PolarHBondContact O-N 3.42Å
641L66Low63.5Low31 Ų3168.8 Ų68.816%0.16236%0.357CS..Hα-helixtrans-64.8-47.6179.5-15582.7000112.3K637 L638 T643 K644 V645 L720 F724K637-L641 WeakPolarHBondContact O-CB 3.19Å; K637-L641 PolarHBondContact O-N 2.79Å; L638-L641 PolarHBondContact O-N 3.33Å; L641-T643 PolarHBondContact O-N 3.46Å; L641-K644 WeakPolarHBondContact O-CA 2.96Å; L641-K644 WeakPolarHBondContact O-CB 2.88Å; L641-K644 PolarHBondContact O-N 3.22Å; L641-V645 PolarHBondContact O-N 3.16Å; L641-L720 HydrophobicContact CD2-CD2 3.17Å; L641-F724 HydrophobicContact CD1-CD1 4.36Å; L641-F724 HydrophobicContact CD1-CD2 3.62Å; L641-F724 HydrophobicContact CD1-CE1 4.45Å; L641-F724 HydrophobicContact CD1-CE2 3.72Å; L641-F724 HydrophobicContact CD1-CG 3.95Å; L641-F724 HydrophobicContact CD1-CZ 4.15Å; L641-F724 HydrophobicContact CD2-CD2 3.86Å; L641-F724 HydrophobicContact CD2-CE2 4.03Å; L641-F724 HydrophobicContact CG-CD2 3.79Å; L641-F724 HydrophobicContact CG-CE2 3.59Å; L641-F724 HydrophobicContact CG-CZ 4.27Å
642M64.4Low64Low39 Ų3969.9 Ų69.919%0.19234%0.344CS..Hα-helixtrans-56.6-34.1173-75.4-71-166.500112.4L638 S646 I700L638-M642 WeakPolarHBondContact O-CB 3.33Å; L638-M642 VanDerWaalsContact O-CG 3.23Å; L638-M642 WeakPolarHBondContact O-CG 3.38Å; L638-M642 PolarHBondContact O-N 2.77Å; M642-S646 VanDerWaalsContact O-CB 3.3Å; M642-S646 WeakPolarHBondContact O-CB 3.37Å; M642-S646 PolarHBondContact O-N 2.87Å; M642-S646 PolarHBondContact O-OG 3.2Å; M642-I700 HydrophobicContact CE-CD1 4.04Å; M642-I700 HydrophobicContact CE-CG1 4.38Å; M642-I700 HydrophobicContact CE-CG2 3.51Å; M642-I700 HydrophobicContact SD-CD1 4.45Å
643T69.6Low64.2Low85 Ų8570.6 Ų70.652%0.52135%0.347SS..Hα-helixtrans-69.7-37.6174.8-54.60000111.7K639 H640 L641 Q647K639-T643 WeakPolarHBondContact O-CB 3.32Å; K639-T643 PolarHBondContact O-N 3.41Å; K639-T643 VanDerWaalsContact O-N 3.08Å; K639-T643 PolarHBondContact O-OG1 3.33Å; H640-T643 WeakPolarHBondContact O-CB 3.41Å; H640-T643 PolarHBondContact O-N 2.97Å; L641-T643 PolarHBondContact O-N 3.46Å; T643-Q647 PolarHBondContact O-N 3.32Å
644K63.6Low64.2Low50 Ų5069 Ų6922%0.21734%0.341CS..Hα-helixtrans-65.6-45.7173.4-73.5-171.7175.4-175.80111.6H640 L641 S646 Q647 L648 F724H640-K644 PolarHBondContact O-N 3.42Å; L641-K644 WeakPolarHBondContact O-CA 2.96Å; L641-K644 WeakPolarHBondContact O-CB 2.88Å; L641-K644 PolarHBondContact O-N 3.22Å; K644-S646 PolarHBondContact O-N 2.85Å; K644-Q647 WeakPolarHBondContact O-CB 3.3Å; K644-Q647 PolarHBondContact O-N 3.02Å; K644-Q647 VanDerWaalsContact O-N 3.1Å; K644-L648 PolarHBondContact O-N 3.24Å; K644-F724 HydrophobicContact CB-CE1 4.35Å; K644-F724 HydrophobicContact CB-CZ 3.94Å; K644-F724 HydrophobicContact CD-CE1 4.39Å
645V59.8Low64.3Low24 Ų2470.3 Ų70.315%0.14535%0.347CS..Hα-helixtrans-59.1-48.9175.3179.20000111.1L641 Q647 L648 E649 F724 F990L641-V645 PolarHBondContact O-N 3.16Å; V645-Q647 PolarHBondContact O-N 3.38Å; V645-L648 PolarHBondContact O-N 2.91Å; V645-L648 VanDerWaalsContact O-N 3.14Å; V645-E649 PolarHBondContact O-N 2.81Å; V645-F724 HydrophobicContact CG2-CE2 3.62Å; V645-F724 HydrophobicContact CG2-CZ 3.97Å; V645-F990 HydrophobicContact CG1-CE2 4.49Å; V645-F990 HydrophobicContact CG1-CZ 4.37Å
646S61.2Low64.3Low36 Ų3670.6 Ų70.625%0.25235%0.347SS..Hα-helixtrans-59.8-18176.5-62.10000114.4M642 K644 K650 F990M642-S646 VanDerWaalsContact O-CB 3.3Å; M642-S646 WeakPolarHBondContact O-CB 3.37Å; M642-S646 PolarHBondContact O-N 2.87Å; M642-S646 PolarHBondContact O-OG 3.2Å; K644-S646 PolarHBondContact O-N 2.85Å; S646-K650 WeakPolarHBondContact O-CD 3.28Å; S646-K650 VanDerWaalsContact O-CE 3.28Å; S646-K650 WeakPolarHBondContact O-CE 3.49Å; S646-K650 WeakPolarHBondContact O-CG 3.41Å; S646-F990 WeakPolarHBondContact OG-CE1 3.32Å
647Q66.8Low64Low82 Ų8273 Ų7338%0.38335%0.351SS..Hα-helixtrans-89.8-44.8175.6-174.352.443.900110.9T643 K644 V645 E649 K650 D651T643-Q647 PolarHBondContact O-N 3.32Å; K644-Q647 WeakPolarHBondContact O-CB 3.3Å; K644-Q647 PolarHBondContact O-N 3.02Å; K644-Q647 VanDerWaalsContact O-N 3.1Å; V645-Q647 PolarHBondContact O-N 3.38Å; Q647-E649 VanDerWaalsContact C-N 3.32Å; Q647-E649 PolarHBondContact O-N 2.86Å; Q647-K650 WeakPolarHBondContact O-CB 3.28Å; Q647-K650 PolarHBondContact O-N 3.38Å; Q647-K650 VanDerWaalsContact O-N 3.15Å; Q647-D651 VanDerWaalsContact NE2-CG 3.32Å; Q647-D651 PolarHBondContact NE2-OD1 3.1Å; Q647-D651 PolarHBondContact NE2-OD2 3.13Å; Q647-D651 PolarHBondContact O-N 3Å; Q647-D651 VanDerWaalsContact O-N 3.09Å
648L60.7Low64Low60 Ų6076 Ų7631%0.31437%0.365SS..Hα-helixtrans-57.3-41.8175.1-76.1168.4000112.5K644 V645 K650 D651 L652 L727 I731K644-L648 PolarHBondContact O-N 3.24Å; V645-L648 PolarHBondContact O-N 2.91Å; V645-L648 VanDerWaalsContact O-N 3.14Å; L648-K650 PolarHBondContact O-N 2.85Å; L648-D651 PolarHBondContact O-N 3.01Å; L648-L652 WeakPolarHBondContact O-CB 3.39Å; L648-L652 PolarHBondContact O-N 3.06Å; L648-L727 HydrophobicContact CD1-CD2 3.81Å; L648-I731 HydrophobicContact CD1-CD1 4.33Å; L648-I731 HydrophobicContact CD2-CD1 4.01Å
649E58.8Low63.5Low56 Ų5677.1 Ų77.126%0.26238%0.375SS..Hα-helixtrans-62.5-40175.9-72.4-171.5156.500113.3V645 Q647 D651 L652 Q653 F990V645-E649 PolarHBondContact O-N 2.81Å; Q647-E649 VanDerWaalsContact C-N 3.32Å; Q647-E649 PolarHBondContact O-N 2.86Å; E649-D651 VanDerWaalsContact C-N 3.3Å; E649-D651 PolarHBondContact O-N 3.1Å; E649-L652 PolarHBondContact O-N 2.73Å; E649-Q653 WeakPolarHBondContact O-CB 3.25Å; E649-Q653 VanDerWaalsContact O-CG 3.23Å; E649-Q653 WeakPolarHBondContact O-CG 3.18Å; E649-Q653 PolarHBondContact O-N 2.94Å; E649-F990 VanDerWaalsContact CD-CE2 3.41Å; E649-F990 WeakPolarHBondContact OE1-CE2 3.36Å; E649-F990 WeakPolarHBondContact OE2-CE2 3.33Å; E649-F990 WeakPolarHBondContact OE2-CZ 3.34Å
650K67.5Low62.9Low112 Ų11275.7 Ų75.749%0.48737%0.373SS..Hα-helixtrans-64.6-38.7176.6-70.3172-164.1155.50111.3S646 Q647 L648 T654S646-K650 WeakPolarHBondContact O-CD 3.28Å; S646-K650 VanDerWaalsContact O-CE 3.28Å; S646-K650 WeakPolarHBondContact O-CE 3.49Å; S646-K650 WeakPolarHBondContact O-CG 3.41Å; Q647-K650 WeakPolarHBondContact O-CB 3.28Å; Q647-K650 PolarHBondContact O-N 3.38Å; Q647-K650 VanDerWaalsContact O-N 3.15Å; L648-K650 PolarHBondContact O-N 2.85Å; K650-T654 WeakPolarHBondContact O-CB 3.4Å; K650-T654 PolarHBondContact O-N 2.92Å; K650-T654 PolarHBondContact O-OG1 2.87Å
651D60.7Low62.4Low69 Ų6981.4 Ų81.437%0.36939%0.392SS..Hα-helixtrans-70.2-45.3-179.3-63.9-22.8000109.4Q647 L648 E649 Q653 T654 E655Q647-D651 VanDerWaalsContact NE2-CG 3.32Å; Q647-D651 PolarHBondContact NE2-OD1 3.1Å; Q647-D651 PolarHBondContact NE2-OD2 3.13Å; Q647-D651 PolarHBondContact O-N 3Å; Q647-D651 VanDerWaalsContact O-N 3.09Å; L648-D651 PolarHBondContact O-N 3.01Å; E649-D651 VanDerWaalsContact C-N 3.3Å; E649-D651 PolarHBondContact O-N 3.1Å; D651-Q653 PolarHBondContact O-N 2.88Å; D651-T654 WeakPolarHBondContact O-CA 3.44Å; D651-T654 WeakPolarHBondContact O-CB 3.34Å; D651-T654 PolarHBondContact O-N 2.95Å; D651-E655 PolarHBondContact O-N 2.74Å
652L62Low61.8Low97 Ų9784.3 Ų84.351%0.50841%0.407SS..Hα-helixtrans-58.3-44.9172.4-165.683.2000112.8L648 E649 T654 E655 K656 L689L648-L652 WeakPolarHBondContact O-CB 3.39Å; L648-L652 PolarHBondContact O-N 3.06Å; E649-L652 PolarHBondContact O-N 2.73Å; L652-T654 PolarHBondContact O-N 3.03Å; L652-E655 PolarHBondContact O-N 2.81Å; L652-K656 WeakPolarHBondContact O-CB 3.13Å; L652-K656 PolarHBondContact O-N 2.87Å; L652-L689 HydrophobicContact CD2-CD2 4.23Å
653Q62.1Low61.2Low83 Ų8387.5 Ų87.539%0.38843%0.425SS..Hα-helixtrans-67.2-25.4175.4-72.7176.85.600112.5E649 D651 R657E649-Q653 WeakPolarHBondContact O-CB 3.25Å; E649-Q653 VanDerWaalsContact O-CG 3.23Å; E649-Q653 WeakPolarHBondContact O-CG 3.18Å; E649-Q653 PolarHBondContact O-N 2.94Å; D651-Q653 PolarHBondContact O-N 2.88Å; Q653-R657 WeakPolarHBondContact O-CB 3.27Å; Q653-R657 WeakPolarHBondContact O-CD 3.49Å; Q653-R657 WeakPolarHBondContact O-CG 3.37Å; Q653-R657 PolarHBondContact O-N 3.4Å; Q653-R657 VanDerWaalsContact O-N 3.13Å
654T66Low60.3Low61 Ų6190.7 Ų90.737%0.37443%0.431SS..Hα-helixtrans-75.1-41.7175.1-60.50000111K650 D651 L652 R657 K658K650-T654 WeakPolarHBondContact O-CB 3.4Å; K650-T654 PolarHBondContact O-N 2.92Å; K650-T654 PolarHBondContact O-OG1 2.87Å; D651-T654 WeakPolarHBondContact O-CA 3.44Å; D651-T654 WeakPolarHBondContact O-CB 3.34Å; D651-T654 PolarHBondContact O-N 2.95Å; L652-T654 PolarHBondContact O-N 3.03Å; T654-R657 PolarHBondContact O-N 2.89Å; T654-K658 PolarHBondContact O-N 2.97Å
655E59.5Low59.7Low94 Ų9493.8 Ų93.844%0.43945%0.45SS..Hα-helixtrans-65.2-42.7172.1-63.6-41.3119.200112.4D651 L652 R657 K658 S659D651-E655 PolarHBondContact O-N 2.74Å; L652-E655 PolarHBondContact O-N 2.81Å; E655-R657 VanDerWaalsContact C-N 3.28Å; E655-R657 PolarHBondContact O-N 3.49Å; E655-K658 WeakPolarHBondContact O-CB 3.14Å; E655-K658 PolarHBondContact O-N 3.35Å; E655-K658 WeakPolarHBondContact OE1-CD 3.41Å; E655-K658 WeakPolarHBondContact OE1-CE 3.29Å; E655-K658 IonicContact OE1-NZ 3.67Å; E655-K658 PolarHBondContact OE1-NZ 2.71Å; E655-K658 WeakPolarHBondContact OE2-CD 3.49Å; E655-K658 IonicContact OE2-NZ 2.56Å; E655-K658 PolarHBondContact OE2-NZ 2.94Å; E655-S659 PolarHBondContact O-N 3.33Å
656K64.1Low58.9Low146 Ų14697.6 Ų97.664%0.63546%0.462SS*.Hα-helixtrans-56-42.9172.9-170.2172.1-176.5174.40111.8L652 K658 S659 D660L652-K656 WeakPolarHBondContact O-CB 3.13Å; L652-K656 PolarHBondContact O-N 2.87Å; K656-K658 PolarHBondContact O-N 3.47Å; K656-S659 PolarHBondContact O-N 3.07Å; K656-D660 WeakPolarHBondContact O-CB 3.48Å; K656-D660 PolarHBondContact O-N 3.11Å
657R64.4Low58.1Low152 Ų152103.8 Ų103.857%0.57449%0.487SS*.Hα-helixtrans-67.5-30175.3-74.5167.8-176.4167.35.9113.8Q653 T654 E655 R661Q653-R657 WeakPolarHBondContact O-CB 3.27Å; Q653-R657 WeakPolarHBondContact O-CD 3.49Å; Q653-R657 WeakPolarHBondContact O-CG 3.37Å; Q653-R657 PolarHBondContact O-N 3.4Å; Q653-R657 VanDerWaalsContact O-N 3.13Å; T654-R657 PolarHBondContact O-N 2.89Å; E655-R657 VanDerWaalsContact C-N 3.28Å; E655-R657 PolarHBondContact O-N 3.49Å; R657-R661 WeakPolarHBondContact O-CB 3.48Å; R657-R661 VanDerWaalsContact O-CG 3.22Å; R657-R661 WeakPolarHBondContact O-CG 3.42Å; R657-R661 PolarHBondContact O-N 3.24Å
658K64.9Low56.8Low109 Ų109109 Ų10947%0.47451%0.508SS..Hα-helixtrans-69.2-47.9171.6-75.8162.1162.9-177.20110.3T654 E655 K656 D660 R661 L662T654-K658 PolarHBondContact O-N 2.97Å; E655-K658 WeakPolarHBondContact O-CB 3.14Å; E655-K658 PolarHBondContact O-N 3.35Å; E655-K658 WeakPolarHBondContact OE1-CD 3.41Å; E655-K658 WeakPolarHBondContact OE1-CE 3.29Å; E655-K658 IonicContact OE1-NZ 3.67Å; E655-K658 PolarHBondContact OE1-NZ 2.71Å; E655-K658 WeakPolarHBondContact OE2-CD 3.49Å; E655-K658 IonicContact OE2-NZ 2.56Å; E655-K658 PolarHBondContact OE2-NZ 2.94Å; K656-K658 PolarHBondContact O-N 3.47Å; K658-D660 PolarHBondContact O-N 2.73Å; K658-R661 WeakPolarHBondContact O-CB 3.34Å; K658-R661 PolarHBondContact O-N 3.19Å; K658-R661 VanDerWaalsContact O-N 3.15Å; K658-L662 WeakPolarHBondContact O-CG 3.49Å; K658-L662 PolarHBondContact O-N 3.43Å
659S55.4Low55.6Low56 Ų56111.5 Ų111.539%0.39253%0.526SS..Hα-helixtrans-57.6-48.6175.7-174.20000112.1E655 K656 R661 L662 L663E655-S659 PolarHBondContact O-N 3.33Å; K656-S659 PolarHBondContact O-N 3.07Å; S659-R661 VanDerWaalsContact C-N 3.28Å; S659-R661 PolarHBondContact O-N 3.38Å; S659-L662 WeakPolarHBondContact O-CB 3.43Å; S659-L662 PolarHBondContact O-N 3.46Å; S659-L662 VanDerWaalsContact O-N 3.08Å; S659-L663 PolarHBondContact O-N 3.23Å
660D56Low54.4Low84 Ų84114.4 Ų114.445%0.44954%0.54SS..Hα-helixtrans-59.9-34.6176-77.6-25.6000113.2K656 K658 K664K656-D660 WeakPolarHBondContact O-CB 3.48Å; K656-D660 PolarHBondContact O-N 3.11Å; K658-D660 PolarHBondContact O-N 2.73Å; D660-K664 WeakPolarHBondContact O-CB 3.26Å; D660-K664 PolarHBondContact O-N 2.61Å
661R57.5Low52.9Low183 Ų183118.2 Ų118.269%0.69156%0.559SS**Hα-helixtrans-70.8-39.9174.7-79.1174.5179.2-168.12.2111.6R657 K658 S659 K664 N665R657-R661 WeakPolarHBondContact O-CB 3.48Å; R657-R661 VanDerWaalsContact O-CG 3.22Å; R657-R661 WeakPolarHBondContact O-CG 3.42Å; R657-R661 PolarHBondContact O-N 3.24Å; K658-R661 WeakPolarHBondContact O-CB 3.34Å; K658-R661 PolarHBondContact O-N 3.19Å; K658-R661 VanDerWaalsContact O-N 3.15Å; S659-R661 VanDerWaalsContact C-N 3.28Å; S659-R661 PolarHBondContact O-N 3.38Å; R661-K664 PolarHBondContact O-N 3.22Å; R661-N665 WeakPolarHBondContact O-CB 3.35Å; R661-N665 VanDerWaalsContact O-CG 3.25Å; R661-N665 PolarHBondContact O-N 2.77Å; R661-N665 PolarHBondContact O-ND2 3.08Å
662L52.8Low51.5Low93 Ų93120.6 Ų120.649%0.48758%0.576SS.*Hα-helixtrans-63.2-43174.1-69.4169.6000110.9K658 S659 N665 R666K658-L662 WeakPolarHBondContact O-CG 3.49Å; K658-L662 PolarHBondContact O-N 3.43Å; S659-L662 WeakPolarHBondContact O-CB 3.43Å; S659-L662 PolarHBondContact O-N 3.46Å; S659-L662 VanDerWaalsContact O-N 3.08Å; L662-N665 PolarHBondContact O-N 3.13Å; L662-R666 PolarHBondContact O-N 3.15Å
663L52.8Low50.3Low106 Ų106121.8 Ų121.856%0.55558%0.583SS**Hα-helixtrans-61.7-46.6176-12981000112.3S659 N665 R666 Q667S659-L663 PolarHBondContact O-N 3.23Å; L663-N665 VanDerWaalsContact C-N 3.33Å; L663-N665 PolarHBondContact O-N 3.16Å; L663-R666 PolarHBondContact O-N 3.39Å; L663-Q667 PolarHBondContact O-N 3.21Å; L663-Q667 VanDerWaalsContact O-N 3.15Å
664K49.8Very low48.9Very low151 Ų151127.7 Ų127.766%0.65761%0.607SS**Hα-helixtrans-64.5-34.4176.7-84.5175.7175.1164.60113.2D660 R661D660-K664 WeakPolarHBondContact O-CB 3.26Å; D660-K664 PolarHBondContact O-N 2.61Å; R661-K664 PolarHBondContact O-N 3.22Å
665N50.4Low47.4Very low116 Ų116130.3 Ų130.362%0.6263%0.628SS**Hα-helixtrans-73.6-37.3176.3-72.9-14.4000112R661 L662 L663 Q667 F668R661-N665 WeakPolarHBondContact O-CB 3.35Å; R661-N665 VanDerWaalsContact O-CG 3.25Å; R661-N665 PolarHBondContact O-N 2.77Å; R661-N665 PolarHBondContact O-ND2 3.08Å; L662-N665 PolarHBondContact O-N 3.13Å; L663-N665 VanDerWaalsContact C-N 3.33Å; L663-N665 PolarHBondContact O-N 3.16Å; N665-Q667 PolarHBondContact O-N 3.16Å; N665-F668 PolarHBondContact O-N 2.97Å
666R44.2Very low46.1Very low103 Ų103135 Ų13539%0.38965%0.647SS.*Hα-helixtrans-65.7-33174.3-93.1-168.6177.3-174.31.6113.5L662 L663 F668 V669L662-R666 PolarHBondContact O-N 3.15Å; L663-R666 PolarHBondContact O-N 3.39Å; R666-F668 PolarHBondContact O-N 2.93Å; R666-V669 CarbonylContact O-C 3.55Å; R666-V669 PolarHBondContact O-N 3.18Å
667Q44.1Very low44.6Very low167 Ų167135 Ų13578%0.7865%0.649SS**THydrogen-bonded Turntrans-61.8-11.7175-76.9-171.7-13.700114.5L663 N665L663-Q667 PolarHBondContact O-N 3.21Å; L663-Q667 VanDerWaalsContact O-N 3.15Å; N665-Q667 PolarHBondContact O-N 3.16Å
668F40.2Very low43.1Very low190 Ų190131.1 Ų131.183%0.83364%0.639SS**THydrogen-bonded Turntrans-96-8.9172-105.3-89.2000114.7N665 R666N665-F668 PolarHBondContact O-N 2.97Å; R666-F668 PolarHBondContact O-N 2.93Å
669V34.6Very low41.9Very low114 Ų114131.1 Ų131.169%0.69164%0.644SS**SBendtrans-145.975.4-175.5-169.90000110.7R666R666-V669 CarbonylContact O-C 3.55Å; R666-V669 PolarHBondContact O-N 3.18Å
670Q34.1Very low41.2Very low117 Ų117137.3 Ų137.355%0.54766%0.664SS.*  trans-161.768.6162.6-113.2158.316.900112.3
671Q34.8Very low41Very low192 Ų192137.4 Ų137.490%0.89766%0.663SS**SBendtrans-89.9142.4132.9-79.4-179.1-28.300106.3
672V32.9Very low40.9Very low118 Ų118132 Ų13272%0.71565%0.648SS**SBendtrans78.4137.1-177.3-169.70000114.8
673N35.3Very low41.2Very low122 Ų122134.4 Ų134.465%0.65266%0.657SS**  trans73.198.7174.9-63.9-10.4000119.4S675N673-S675 PolarHBondContact O-N 3.07Å
674K32.8Very low41.9Very low207 Ų207134.5 Ų134.590%0.966%0.658SS**  trans-59.1122.7148.4-63.3170.3177.2175.80108.9
675S34.3Very low42.5Very low116 Ų116128.1 Ų128.181%0.81163%0.633SS**  trans-166.1141.6142.4-1030000110N673N673-S675 PolarHBondContact O-N 3.07Å
676K33.4Very low43.1Very low194 Ų194126.2 Ų126.284%0.84362%0.622SS**  trans-73.6-176.5176.8-62.9171.9-179.9174.60109.9
677H32.3Very low44.1Very low145 Ų145128 Ų12867%0.67163%0.629SS**  trans82.987.9-175.6-65.3-95.5000115F741H677-F741 HydrophobicContact CB-CE1 3.74Å; H677-F741 HydrophobicContact CB-CZ 4.13Å; H677-F741 AromaticContact ND1-CE1 3.89Å; H677-F741 AromaticContact ND1-CZ 3.37Å; H677-F741 WeakPolarHBondContact ND1-CZ 3.26Å
678L33.5Very low45.2Very low71 Ų71123.6 Ų123.637%0.37261%0.609SS.*SBendtrans-153.7113.8151.3-153.382.1000106.9K680L678-K680 PolarHBondContact O-N 3.12Å
679L39.4Very low46.5Very low109 Ų109116 Ų11657%0.57158%0.576SS**  trans10.977.3173.1-72.7158.7000115.6I681L679-I681 PolarHBondContact O-N 2.98Å
680K40.1Very low47.9Very low186 Ų186115.3 Ų115.381%0.80956%0.562SS**  trans-81.7105.4151.7-84.2-170.2168.1-1630105.7L678 D682L678-K680 PolarHBondContact O-N 3.12Å; K680-D682 PolarHBondContact O-N 2.73Å; K680-D682 VanDerWaalsContact O-N 3.13Å
681I51.1Low49.7Very low86 Ų86113.1 Ų113.144%0.44155%0.553SS.*  trans-56.9120.2153-56.2175.2000104.3L679 I686 I734L679-I681 PolarHBondContact O-N 2.98Å; I681-I686 HydrophobicContact CB-CD1 4.37Å; I681-I686 HydrophobicContact CB-CG1 4.24Å; I681-I686 HydrophobicContact CG2-CD1 4.39Å; I681-I686 HydrophobicContact CG2-CG1 3.73Å; I681-I734 HydrophobicContact CG2-CG2 4.16Å
682D56Low51.4Low68 Ų68104.3 Ų104.336%0.36451%0.512SS..  trans-56.9149.9-177.1155.162.8000111K680 D684 S685 I686K680-D682 PolarHBondContact O-N 2.73Å; K680-D682 VanDerWaalsContact O-N 3.13Å; D682-D684 VanDerWaalsContact C-N 3.29Å; D682-D684 PolarHBondContact O-N 2.85Å; D682-D684 PolarHBondContact OD1-N 3Å; D682-D684 WeakPolarHBondContact OD2-CA 3.42Å; D682-D684 VanDerWaalsContact OD2-CB 3.28Å; D682-D684 WeakPolarHBondContact OD2-CB 3.41Å; D682-D684 PolarHBondContact OD2-N 3.28Å; D682-S685 WeakPolarHBondContact O-CB 3.49Å; D682-S685 PolarHBondContact O-N 3.19Å; D682-S685 PolarHBondContact OD2-N 3.32Å; D682-S685 PolarHBondContact OD2-OG 3.31Å; D682-I686 WeakPolarHBondContact O-CG1 3.39Å; D682-I686 PolarHBondContact O-N 3.29Å
683Q58.7Low53Low144 Ų144101.5 Ų101.567%0.67349%0.492SS*.Hα-helixtrans-67.8-34-174.5-143.881.3-1.500110.8I686 Y687Q683-I686 PolarHBondContact O-N 3.29Å; Q683-Y687 WeakPolarHBondContact O-CB 3.31Å; Q683-Y687 PolarHBondContact O-N 3.47Å
684D68.1Low54.4Low108 Ų10899 Ų9958%0.57848%0.484SS*.Hα-helixtrans-71.2-36.6174.1-62.6-17.1000110.9D682 I686 Y687 Q688D682-D684 VanDerWaalsContact C-N 3.29Å; D682-D684 PolarHBondContact O-N 2.85Å; D682-D684 PolarHBondContact OD1-N 3Å; D682-D684 WeakPolarHBondContact OD2-CA 3.42Å; D682-D684 VanDerWaalsContact OD2-CB 3.28Å; D682-D684 WeakPolarHBondContact OD2-CB 3.41Å; D682-D684 PolarHBondContact OD2-N 3.28Å; D684-I686 VanDerWaalsContact C-N 3.35Å; D684-I686 PolarHBondContact O-N 3.48Å; D684-Y687 CarbonylContact O-C 3.58Å; D684-Y687 WeakPolarHBondContact O-CA 3.42Å; D684-Y687 WeakPolarHBondContact O-CB 3.29Å; D684-Y687 PolarHBondContact O-N 3.27Å; D684-Y687 VanDerWaalsContact O-N 3.09Å; D684-Q688 WeakPolarHBondContact O-CB 3.22Å; D684-Q688 WeakPolarHBondContact O-CG 3.13Å; D684-Q688 PolarHBondContact O-N 3.49Å
685S62.8Low56.2Low18 Ų1895 Ų9513%0.12646%0.463CS..Hα-helixtrans-59.4-42.2171.8-64.60000112.5D682 Y687 L689D682-S685 WeakPolarHBondContact O-CB 3.49Å; D682-S685 PolarHBondContact O-N 3.19Å; D682-S685 PolarHBondContact OD2-N 3.32Å; D682-S685 PolarHBondContact OD2-OG 3.31Å; S685-Y687 VanDerWaalsContact C-N 3.35Å; S685-L689 WeakPolarHBondContact O-CB 3.33Å; S685-L689 PolarHBondContact O-N 3.42Å; S685-L689 VanDerWaalsContact O-N 3.08Å
686I61.5Low58Low76 Ų7690 Ų9039%0.3943%0.427SS..Hα-helixtrans-65.2-39.1172-64.9172.1000111.1I681 D682 Q683 D684 L689 R690I681-I686 HydrophobicContact CB-CD1 4.37Å; I681-I686 HydrophobicContact CB-CG1 4.24Å; I681-I686 HydrophobicContact CG2-CD1 4.39Å; I681-I686 HydrophobicContact CG2-CG1 3.73Å; D682-I686 WeakPolarHBondContact O-CG1 3.39Å; D682-I686 PolarHBondContact O-N 3.29Å; Q683-I686 PolarHBondContact O-N 3.29Å; D684-I686 VanDerWaalsContact C-N 3.35Å; D684-I686 PolarHBondContact O-N 3.48Å; I686-L689 PolarHBondContact O-N 3.18Å; I686-R690 PolarHBondContact O-N 3.4Å
687Y66.2Low59.7Low141 Ų14182.9 Ų82.955%0.55340%0.4SS*.Hα-helixtrans-67.9-43.5179.7-167.4-98.2000112.3Q683 D684 S685 R690 N691Q683-Y687 WeakPolarHBondContact O-CB 3.31Å; Q683-Y687 PolarHBondContact O-N 3.47Å; D684-Y687 CarbonylContact O-C 3.58Å; D684-Y687 WeakPolarHBondContact O-CA 3.42Å; D684-Y687 WeakPolarHBondContact O-CB 3.29Å; D684-Y687 PolarHBondContact O-N 3.27Å; D684-Y687 VanDerWaalsContact O-N 3.09Å; S685-Y687 VanDerWaalsContact C-N 3.35Å; Y687-R690 PolarHBondContact O-N 2.85Å; Y687-N691 WeakPolarHBondContact CE1-ND2 3.42Å; Y687-N691 WeakPolarHBondContact O-CB 3.37Å; Y687-N691 PolarHBondContact O-N 3.28Å
688Q68.1Low61.6Low74 Ų7480.5 Ų80.535%0.34639%0.392SS..Hα-helixtrans-60-45.9173.2-71.9-179.52.600110.7D684 R690 N691 F692 L730D684-Q688 WeakPolarHBondContact O-CB 3.22Å; D684-Q688 WeakPolarHBondContact O-CG 3.13Å; D684-Q688 PolarHBondContact O-N 3.49Å; Q688-R690 VanDerWaalsContact C-N 3.35Å; Q688-R690 PolarHBondContact O-N 3.06Å; Q688-N691 PolarHBondContact O-N 3.32Å; Q688-F692 VanDerWaalsContact O-CB 3.28Å; Q688-F692 WeakPolarHBondContact O-CB 3.41Å; Q688-F692 PolarHBondContact O-N 3.35Å; Q688-L730 HydrophobicContact CB-CD1 4.08Å; Q688-L730 HydrophobicContact CB-CD2 3.96Å
689L66.8Low63.3Low30 Ų3078.6 Ų78.616%0.15738%0.382CS..Hα-helixtrans-63.3-39.1178.1-155.8109.9000111.9L652 S685 I686 I693 L730 I731 I734L652-L689 HydrophobicContact CD2-CD2 4.23Å; S685-L689 WeakPolarHBondContact O-CB 3.33Å; S685-L689 PolarHBondContact O-N 3.42Å; S685-L689 VanDerWaalsContact O-N 3.08Å; I686-L689 PolarHBondContact O-N 3.18Å; L689-I693 HydrophobicContact CD2-CD1 4.07Å; L689-I693 HydrophobicContact CG-CD1 4.5Å; L689-I693 VanDerWaalsContact O-CG1 3.27Å; L689-I693 WeakPolarHBondContact O-CG1 3.25Å; L689-I693 PolarHBondContact O-N 3.11Å; L689-L730 HydrophobicContact CB-CD2 4.32Å; L689-L730 HydrophobicContact CD1-CD2 4.27Å; L689-I731 HydrophobicContact CD1-CG1 4.2Å; L689-I734 HydrophobicContact CD1-CD1 3.76Å
690R64.3Low64.7Low100 Ų10074.7 Ų74.738%0.37736%0.361SS..Hα-helixtrans-66-48.2174.2-81.3-175.669.4-161.60.4112.8I686 Y687 Q688 F692 I693 C694I686-R690 PolarHBondContact O-N 3.4Å; Y687-R690 PolarHBondContact O-N 2.85Å; Q688-R690 VanDerWaalsContact C-N 3.35Å; Q688-R690 PolarHBondContact O-N 3.06Å; R690-F692 VanDerWaalsContact C-N 3.26Å; R690-F692 PolarHBondContact O-N 3.38Å; R690-I693 PolarHBondContact O-N 2.97Å; R690-C694 PolarHBondContact O-N 3.17Å
691N70.4Confident66Low70 Ų7068.5 Ų68.537%0.37434%0.335SS..Hα-helixtrans-60.9-40.3178.5-83.5-7.4000111.1Y687 Q688 C694 R695Y687-N691 WeakPolarHBondContact CE1-ND2 3.42Å; Y687-N691 WeakPolarHBondContact O-CB 3.37Å; Y687-N691 PolarHBondContact O-N 3.28Å; Q688-N691 PolarHBondContact O-N 3.32Å; N691-C694 PolarHBondContact O-N 3.47Å; N691-R695 PolarHBondContact O-N 2.81Å; N691-R695 VanDerWaalsContact O-N 3.09Å
692F71.8Confident66.9Low7 Ų768.4 Ų68.43%0.03134%0.338CS..Hα-helixtrans-64-45.9176.1-173.6-82000112.1Q688 R690 C694 R695 L696 T723 E726 L727 L730Q688-F692 VanDerWaalsContact O-CB 3.28Å; Q688-F692 WeakPolarHBondContact O-CB 3.41Å; Q688-F692 PolarHBondContact O-N 3.35Å; R690-F692 VanDerWaalsContact C-N 3.26Å; R690-F692 PolarHBondContact O-N 3.38Å; F692-C694 VanDerWaalsContact C-N 3.3Å; F692-C694 PolarHBondContact O-N 3.06Å; F692-R695 WeakPolarHBondContact O-CB 3.47Å; F692-R695 PolarHBondContact O-N 3.11Å; F692-R695 VanDerWaalsContact O-N 3.12Å; F692-L696 HydrophobicContact CD1-CD1 4.47Å; F692-L696 HydrophobicContact CE1-CB 4.33Å; F692-L696 HydrophobicContact CE1-CD1 3.57Å; F692-L696 HydrophobicContact CE1-CG 3.7Å; F692-L696 HydrophobicContact CZ-CD1 4.32Å; F692-L696 HydrophobicContact CZ-CG 4.07Å; F692-L696 PolarHBondContact O-N 2.8Å; F692-T723 VanDerWaalsContact CE2-O 3.23Å; F692-T723 WeakPolarHBondContact CE2-O 3.33Å; F692-T723 WeakPolarHBondContact CZ-O 3.41Å; F692-E726 HydrophobicContact CD2-CB 4.23Å; F692-E726 HydrophobicContact CE2-CB 3.67Å; F692-E726 WeakPolarHBondContact CE2-OE2 3.49Å; F692-L727 HydrophobicContact CD1-CB 4.04Å; F692-L727 HydrophobicContact CD1-CD1 3.4Å; F692-L727 HydrophobicContact CD1-CG 4.24Å; F692-L727 HydrophobicContact CE1-CB 3.47Å; F692-L727 VanDerWaalsContact CE1-CB 3.47Å; F692-L727 HydrophobicContact CE1-CD1 3.59Å; F692-L727 HydrophobicContact CE1-CD2 4.31Å; F692-L727 HydrophobicContact CE1-CG 3.95Å; F692-L727 HydrophobicContact CE2-CB 4.48Å; F692-L727 HydrophobicContact CG-CD1 4.35Å; F692-L727 HydrophobicContact CZ-CB 3.76Å; F692-L730 HydrophobicContact CB-CD2 4.47Å
693I65.2Low67.3Low59 Ų5965.6 Ų65.630%0.30332%0.324SS..Hα-helixtrans-57.6-42.4174.9-71.7165.5000111.1L689 R690 R695 L696 T697L689-I693 HydrophobicContact CD2-CD1 4.07Å; L689-I693 HydrophobicContact CG-CD1 4.5Å; L689-I693 VanDerWaalsContact O-CG1 3.27Å; L689-I693 WeakPolarHBondContact O-CG1 3.25Å; L689-I693 PolarHBondContact O-N 3.11Å; R690-I693 PolarHBondContact O-N 2.97Å; I693-R695 PolarHBondContact O-N 2.99Å; I693-L696 PolarHBondContact O-N 3.4Å; I693-T697 PolarHBondContact O-N 2.96Å; I693-T697 PolarHBondContact O-OG1 2.86Å; I693-T697 VanDerWaalsContact O-OG1 3.09Å
694C66.1Low67.6Low69 Ų6962 Ų6247%0.46631%0.307SS..Hα-helixtrans-59.9-42.2174.9-71.50000113R690 N691 F692 T697 N698R690-C694 PolarHBondContact O-N 3.17Å; N691-C694 PolarHBondContact O-N 3.47Å; F692-C694 VanDerWaalsContact C-N 3.3Å; F692-C694 PolarHBondContact O-N 3.06Å; C694-T697 PolarHBondContact O-N 2.95Å; C694-N698 PolarHBondContact O-N 3.12Å; C694-N698 VanDerWaalsContact O-N 3.07Å; C694-N698 PolarHBondContact O-OD1 3.44Å
695R70.2Confident67.6Low124 Ų12462.6 Ų62.647%0.46831%0.31SS..Hα-helixtrans-59.9-47174.3-65-179.7-163164.10.9111.1N691 F692 I693 T697 N698 M699 E726N691-R695 PolarHBondContact O-N 2.81Å; N691-R695 VanDerWaalsContact O-N 3.09Å; F692-R695 WeakPolarHBondContact O-CB 3.47Å; F692-R695 PolarHBondContact O-N 3.11Å; F692-R695 VanDerWaalsContact O-N 3.12Å; I693-R695 PolarHBondContact O-N 2.99Å; R695-T697 PolarHBondContact O-N 2.97Å; R695-N698 PolarHBondContact O-N 2.88Å; R695-M699 PolarHBondContact O-N 3.26Å; R695-E726 VanDerWaalsContact NH1-CD 3.35Å; R695-E726 IonicContact NH1-OE1 2.74Å; R695-E726 PolarHBondContact NH1-OE1 3.43Å; R695-E726 IonicContact NH1-OE2 3.75Å; R695-E726 PolarHBondContact NH1-OE2 3.23Å
696L71.7Confident67.6Low11 Ų1162.5 Ų62.56%0.05831%0.309CS..Hα-helixtrans-58.3-47.2178.8-112.9-175000111.8F692 I693 N698 M699 I700 L720 L727F692-L696 HydrophobicContact CD1-CD1 4.47Å; F692-L696 HydrophobicContact CE1-CB 4.33Å; F692-L696 HydrophobicContact CE1-CD1 3.57Å; F692-L696 HydrophobicContact CE1-CG 3.7Å; F692-L696 HydrophobicContact CZ-CD1 4.32Å; F692-L696 HydrophobicContact CZ-CG 4.07Å; F692-L696 PolarHBondContact O-N 2.8Å; I693-L696 PolarHBondContact O-N 3.4Å; L696-N698 PolarHBondContact O-N 3.36Å; L696-M699 HydrophobicContact CD2-CE 4.12Å; L696-M699 HydrophobicContact CG-CE 4.42Å; L696-M699 PolarHBondContact O-N 2.91Å; L696-I700 HydrophobicContact CD2-CD1 4.19Å; L696-I700 WeakPolarHBondContact O-CB 3.3Å; L696-I700 VanDerWaalsContact O-CG1 3.27Å; L696-I700 WeakPolarHBondContact O-CG1 3.36Å; L696-I700 PolarHBondContact O-N 3.22Å; L696-L720 HydrophobicContact CD2-CD2 4.08Å; L696-L727 HydrophobicContact CD1-CD2 4.35Å
697T69.5Low67.1Low44 Ų4465.5 Ų65.527%0.2732%0.319SS..Hα-helixtrans-61-45.2178.4-55.60000111.5I693 C694 R695 M699 I700 E701 M989I693-T697 PolarHBondContact O-N 2.96Å; I693-T697 PolarHBondContact O-OG1 2.86Å; I693-T697 VanDerWaalsContact O-OG1 3.09Å; C694-T697 PolarHBondContact O-N 2.95Å; R695-T697 PolarHBondContact O-N 2.97Å; T697-M699 PolarHBondContact O-N 3.43Å; T697-I700 PolarHBondContact O-N 3.18Å; T697-E701 PolarHBondContact O-N 3.19Å; T697-M989 HydrophobicContact CG2-CE 4.42Å
698N72.1Confident66.5Low95 Ų9566.3 Ų66.351%0.50833%0.333SS..Hα-helixtrans-63.1-40178.9-72.86.2000112.7C694 R695 L696 E701 T702C694-N698 PolarHBondContact O-N 3.12Å; C694-N698 VanDerWaalsContact O-N 3.07Å; C694-N698 PolarHBondContact O-OD1 3.44Å; R695-N698 PolarHBondContact O-N 2.88Å; L696-N698 PolarHBondContact O-N 3.36Å; N698-E701 PolarHBondContact O-N 2.8Å; N698-T702 PolarHBondContact O-N 2.92Å; N698-T702 PolarHBondContact O-OG1 3.27Å
699M69.3Low65.7Low31 Ų3170.6 Ų70.615%0.15335%0.351CS..Hα-helixtrans-68.2-35.1174.7-70.9-179.2-58.400112.7R695 L696 T697 T702 L703 V719 L720 T723R695-M699 PolarHBondContact O-N 3.26Å; L696-M699 HydrophobicContact CD2-CE 4.12Å; L696-M699 HydrophobicContact CG-CE 4.42Å; L696-M699 PolarHBondContact O-N 2.91Å; T697-M699 PolarHBondContact O-N 3.43Å; M699-T702 WeakPolarHBondContact CA-OG1 3.44Å; M699-T702 PolarHBondContact O-OG1 3.26Å; M699-T702 VanDerWaalsContact O-OG1 3.08Å; M699-L703 WeakPolarHBondContact O-CB 3.2Å; M699-L703 PolarHBondContact O-N 3.04Å; M699-V719 HydrophobicContact SD-CG1 3.92Å; M699-L720 HydrophobicContact CB-CD1 3.99Å; M699-L720 HydrophobicContact CB-CG 4.4Å; M699-L720 HydrophobicContact CE-CG 4.36Å; M699-T723 HydrophobicContact CE-CG2 3.76Å; M699-T723 WeakPolarHBondContact CE-OG1 3.44Å; M699-T723 HydrophobicContact SD-CG2 3.9Å
700I67.7Low64.8Low27 Ų2775 Ų7514%0.13838%0.384CS..Hα-helixtrans-67.3-40.2174.7-73.2169.8000110.2M642 L696 T697 Q704M642-I700 HydrophobicContact CE-CD1 4.04Å; M642-I700 HydrophobicContact CE-CG1 4.38Å; M642-I700 HydrophobicContact CE-CG2 3.51Å; M642-I700 HydrophobicContact SD-CD1 4.45Å; L696-I700 HydrophobicContact CD2-CD1 4.19Å; L696-I700 WeakPolarHBondContact O-CB 3.3Å; L696-I700 VanDerWaalsContact O-CG1 3.27Å; L696-I700 WeakPolarHBondContact O-CG1 3.36Å; L696-I700 PolarHBondContact O-N 3.22Å; T697-I700 PolarHBondContact O-N 3.18Å; I700-Q704 HydrophobicContact CG2-CG 4.48Å; I700-Q704 WeakPolarHBondContact O-CB 3.36Å; I700-Q704 WeakPolarHBondContact O-CG 3.13Å; I700-Q704 PolarHBondContact O-N 2.93Å
701E68.8Low64.2Low56 Ų5676.9 Ų76.926%0.26240%0.402SS..Hα-helixtrans-63.8-46.9173.1-83.4-168.8155.300112.2T697 N698 L703 Q704 N705T697-E701 PolarHBondContact O-N 3.19Å; N698-E701 PolarHBondContact O-N 2.8Å; E701-L703 PolarHBondContact O-N 3.42Å; E701-Q704 PolarHBondContact O-N 2.81Å; E701-Q704 VanDerWaalsContact O-N 3.15Å; E701-N705 WeakPolarHBondContact O-CB 3.36Å; E701-N705 VanDerWaalsContact O-CG 3.25Å; E701-N705 PolarHBondContact O-N 3.27Å; E701-N705 PolarHBondContact O-ND2 2.94Å
702T69.8Low63.3Low84 Ų8475.6 Ų75.652%0.51540%0.401SS..Hα-helixtrans-62.1-41.1178.247.20000112.1N698 M699 N705 S706N698-T702 PolarHBondContact O-N 2.92Å; N698-T702 PolarHBondContact O-OG1 3.27Å; M699-T702 WeakPolarHBondContact CA-OG1 3.44Å; M699-T702 PolarHBondContact O-OG1 3.26Å; M699-T702 VanDerWaalsContact O-OG1 3.08Å; T702-N705 PolarHBondContact O-N 3.03Å; T702-S706 WeakPolarHBondContact O-CB 3.32Å; T702-S706 PolarHBondContact O-N 2.59Å
703L64.6Low62.5Low10 Ų1077.5 Ų77.55%0.05242%0.415CS..Hα-helixtrans-68.7-31.2172.6-80.6-177.4000114.2F634 M699 E701 S706 E716 L720F634-L703 HydrophobicContact CE2-CD1 4.44Å; F634-L703 HydrophobicContact CE2-CD2 4.26Å; F634-L703 HydrophobicContact CZ-CD1 4.28Å; F634-L703 HydrophobicContact CZ-CD2 4.17Å; M699-L703 WeakPolarHBondContact O-CB 3.2Å; M699-L703 PolarHBondContact O-N 3.04Å; E701-L703 PolarHBondContact O-N 3.42Å; L703-S706 WeakPolarHBondContact CA-OG 3.24Å; L703-S706 PolarHBondContact O-OG 2.87Å; L703-S706 VanDerWaalsContact O-OG 3.04Å; L703-E716 HydrophobicContact CD2-CB 3.76Å; L703-E716 WeakPolarHBondContact CD2-OE2 3.22Å; L703-L720 HydrophobicContact CD1-CD1 3.27Å; L703-L720 HydrophobicContact CG-CD1 4.33Å
704Q64.4Low62.3Low68 Ų6881.2 Ų81.232%0.31844%0.435SS..Hα-helixtrans-70.3-38.6173.6-77.3-177.934.400111.2I700 E701 S706 K707I700-Q704 HydrophobicContact CG2-CG 4.48Å; I700-Q704 WeakPolarHBondContact O-CB 3.36Å; I700-Q704 WeakPolarHBondContact O-CG 3.13Å; I700-Q704 PolarHBondContact O-N 2.93Å; E701-Q704 PolarHBondContact O-N 2.81Å; E701-Q704 VanDerWaalsContact O-N 3.15Å; Q704-S706 VanDerWaalsContact C-N 3.34Å; Q704-K707 VanDerWaalsContact O-CB 3.3Å; Q704-K707 WeakPolarHBondContact O-CB 3.41Å; Q704-K707 WeakPolarHBondContact O-CG 3.36Å; Q704-K707 PolarHBondContact O-N 3.44Å
705N67.7Low62.5Low121 Ų12184.6 Ų84.665%0.64744%0.444SS*.Hα-helixtrans-71-29.1174.4-68.4-25.9000112.2E701 T702 K707E701-N705 WeakPolarHBondContact O-CB 3.36Å; E701-N705 VanDerWaalsContact O-CG 3.25Å; E701-N705 PolarHBondContact O-N 3.27Å; E701-N705 PolarHBondContact O-ND2 2.94Å; T702-N705 PolarHBondContact O-N 3.03Å; N705-K707 PolarHBondContact O-N 3.37Å
706S62.6Low62.2Low16 Ų1682.2 Ų82.211%0.11244%0.439CS..Hα-helixtrans-69.4-13.7174.783.50000113.6T702 L703 Q704 N708 K709T702-S706 WeakPolarHBondContact O-CB 3.32Å; T702-S706 PolarHBondContact O-N 2.59Å; L703-S706 WeakPolarHBondContact CA-OG 3.24Å; L703-S706 PolarHBondContact O-OG 2.87Å; L703-S706 VanDerWaalsContact O-OG 3.04Å; Q704-S706 VanDerWaalsContact C-N 3.34Å; S706-N708 PolarHBondContact O-N 2.74Å; S706-K709 PolarHBondContact O-N 2.79Å; S706-K709 VanDerWaalsContact O-O 3.07Å
707K52.6Low61.9Low138 Ų13883.3 Ų83.360%0.644%0.444SS*.THydrogen-bonded Turntrans-53.2-22.7174.5-75.4-180175.7173.80114.7Q704 N705Q704-K707 VanDerWaalsContact O-CB 3.3Å; Q704-K707 WeakPolarHBondContact O-CB 3.41Å; Q704-K707 WeakPolarHBondContact O-CG 3.36Å; Q704-K707 PolarHBondContact O-N 3.44Å; N705-K707 PolarHBondContact O-N 3.37Å
708N53.1Low62Low158 Ų15884.5 Ų84.585%0.84545%0.452SS*.THydrogen-bonded Turntrans-87-1.8177.3-67.8-19.9000113.8S706S706-N708 PolarHBondContact O-N 2.74Å
709K51.4Low62.1Low164 Ų16483.6 Ų83.671%0.71345%0.449SS*.SBendtrans-115.9120.5172.6-70.9178.2179.4176.90108.6S706 N711S706-K709 PolarHBondContact O-N 2.79Å; S706-K709 VanDerWaalsContact O-O 3.07Å; K709-N711 PolarHBondContact O-N 3.25Å
710S48.1Very low62.1Low122 Ų12282.6 Ų82.685%0.85345%0.445SS*.SBendtrans-64.3-3.5-174.757.70000115.6
711N50.9Low62.1Low140 Ų14085.4 Ų85.475%0.74946%0.457SS*.  trans-128.165.5-175.6-59.78.3000109.9K709 S713K709-N711 PolarHBondContact O-N 3.25Å; N711-S713 PolarHBondContact O-N 3.19Å
712A50.9Low62.4Low43 Ų4387.6 Ų87.636%0.35547%0.471SS..  trans-66.7115.4159.800000107.2
713S55.7Low62.5Low47 Ų4784.5 Ų84.533%0.32945%0.452SS..  trans-71.6152.8-173.663.60000110.8N711 E715 E716N711-S713 PolarHBondContact O-N 3.19Å; S713-E715 PolarHBondContact O-N 3.02Å; S713-E715 PolarHBondContact OG-OE2 2.96Å; S713-E715 VanDerWaalsContact OG-OE2 3.12Å; S713-E716 PolarHBondContact O-N 2.93Å
714N61.1Low62.6Low137 Ų13784.9 Ų84.973%0.73345%0.453SS*.Hα-helixtrans-56.6-23.1174.9-77.7-36.8000112.3L717 T718N714-L717 WeakPolarHBondContact O-CB 3.41Å; N714-L717 PolarHBondContact O-N 3.05Å; N714-T718 PolarHBondContact O-N 3.41Å; N714-T718 PolarHBondContact O-OG1 3.47Å
715E70Confident62.9Low140 Ų14088.6 Ų88.665%0.65447%0.47SS*.Hα-helixtrans-63.3-43.2178.4-62.2162.3140.700112.9S713 L717 T718 V719S713-E715 PolarHBondContact O-N 3.02Å; S713-E715 PolarHBondContact OG-OE2 2.96Å; S713-E715 VanDerWaalsContact OG-OE2 3.12Å; E715-L717 PolarHBondContact O-N 3.47Å; E715-T718 VanDerWaalsContact CA-OG1 3.27Å; E715-T718 WeakPolarHBondContact CA-OG1 3.36Å; E715-T718 PolarHBondContact O-N 3.16Å; E715-T718 PolarHBondContact O-OG1 3.47Å; E715-V719 WeakPolarHBondContact O-CG2 3.48Å; E715-V719 PolarHBondContact O-N 2.67Å
716E65.2Low63.3Low75 Ų7587.2 Ų87.235%0.3546%0.46SS..Hα-helixtrans-62.6-28.9176.4-61.1-175.5142.500111.1L703 S713 L720L703-E716 HydrophobicContact CD2-CB 3.76Å; L703-E716 WeakPolarHBondContact CD2-OE2 3.22Å; S713-E716 PolarHBondContact O-N 2.93Å; E716-L720 PolarHBondContact O-N 3.32Å
717L63.8Low63.5Low33 Ų3387 Ų8717%0.17346%0.458CS..Hα-helixtrans-80.4-35.2179.7-136162.6000112.1F634 K637 N714 E715 Q721F634-L717 HydrophobicContact CD2-CD1 3.68Å; F634-L717 HydrophobicContact CD2-CG 4.49Å; F634-L717 HydrophobicContact CE2-CD1 4.12Å; F634-L717 HydrophobicContact CE2-CG 4.49Å; K637-L717 HydrophobicContact CD-CD1 4.31Å; K637-L717 HydrophobicContact CD-CD2 3.85Å; N714-L717 WeakPolarHBondContact O-CB 3.41Å; N714-L717 PolarHBondContact O-N 3.05Å; E715-L717 PolarHBondContact O-N 3.47Å; L717-Q721 PolarHBondContact O-N 3.45Å; L717-Q721 VanDerWaalsContact O-N 3.14Å
718T72.2Confident64Low70 Ų7081.5 Ų81.543%0.42944%0.436SS..Hα-helixtrans-68.1-44.717238.50000112.1N714 E715 L720 Q721 D722N714-T718 PolarHBondContact O-N 3.41Å; N714-T718 PolarHBondContact O-OG1 3.47Å; E715-T718 VanDerWaalsContact CA-OG1 3.27Å; E715-T718 WeakPolarHBondContact CA-OG1 3.36Å; E715-T718 PolarHBondContact O-N 3.16Å; E715-T718 PolarHBondContact O-OG1 3.47Å; T718-L720 PolarHBondContact O-N 3.37Å; T718-Q721 WeakPolarHBondContact O-CA 3.29Å; T718-Q721 WeakPolarHBondContact O-CB 3.47Å; T718-Q721 PolarHBondContact O-N 2.74Å; T718-D722 VanDerWaalsContact O-CG 3.28Å; T718-D722 PolarHBondContact O-N 3Å
719V74.7Confident64.9Low75 Ų7577.5 Ų77.546%0.45542%0.421SS..Hα-helixtrans-58.3-35.1176.7174.20000111.3M699 E715 T723M699-V719 HydrophobicContact SD-CG1 3.92Å; E715-V719 WeakPolarHBondContact O-CG2 3.48Å; E715-V719 PolarHBondContact O-N 2.67Å; V719-T723 WeakPolarHBondContact O-CB 3.49Å; V719-T723 WeakPolarHBondContact O-CG2 3.38Å; V719-T723 PolarHBondContact O-N 2.71Å; V719-T723 VanDerWaalsContact O-N 3.1Å; V719-T723 PolarHBondContact O-OG1 2.7Å
720L67.9Low65.7Low11 Ų1171 Ų716%0.05839%0.393CS..Hα-helixtrans-78.1-20.6176.7-140.3157.1000113.3L641 L696 M699 L703 E716 T718 T723 F724L641-L720 HydrophobicContact CD2-CD2 3.17Å; L696-L720 HydrophobicContact CD2-CD2 4.08Å; M699-L720 HydrophobicContact CB-CD1 3.99Å; M699-L720 HydrophobicContact CB-CG 4.4Å; M699-L720 HydrophobicContact CE-CG 4.36Å; L703-L720 HydrophobicContact CD1-CD1 3.27Å; L703-L720 HydrophobicContact CG-CD1 4.33Å; E716-L720 PolarHBondContact O-N 3.32Å; T718-L720 PolarHBondContact O-N 3.37Å; L720-T723 WeakPolarHBondContact CA-OG1 3.33Å; L720-T723 PolarHBondContact O-OG1 3.14Å; L720-F724 PolarHBondContact O-N 2.98Å
721Q69.1Low66.4Low85 Ų8567.1 Ų67.140%0.39736%0.363SS..Hα-helixtrans-73.3-50165.3-85.2-172.9-117.500111.5L717 T718 T723 F724 E725L717-Q721 PolarHBondContact O-N 3.45Å; L717-Q721 VanDerWaalsContact O-N 3.14Å; T718-Q721 WeakPolarHBondContact O-CA 3.29Å; T718-Q721 WeakPolarHBondContact O-CB 3.47Å; T718-Q721 PolarHBondContact O-N 2.74Å; Q721-T723 VanDerWaalsContact C-N 3.31Å; Q721-T723 PolarHBondContact O-N 3.04Å; Q721-F724 WeakPolarHBondContact O-CA 3.48Å; Q721-F724 WeakPolarHBondContact O-CB 3.49Å; Q721-F724 PolarHBondContact O-N 2.95Å; Q721-E725 PolarHBondContact O-N 2.91Å; Q721-E725 VanDerWaalsContact O-N 3.09Å
722D74.7Confident67.2Low103 Ų10361.6 Ų61.655%0.55134%0.335SS*.Hα-helixtrans-59.8-43-175.6-59-21.1000111.3T718 F724 E725 E726T718-D722 VanDerWaalsContact O-CG 3.28Å; T718-D722 PolarHBondContact O-N 3Å; D722-F724 VanDerWaalsContact C-N 3.33Å; D722-F724 PolarHBondContact O-N 3.18Å; D722-E725 PolarHBondContact O-N 3.26Å; D722-E725 VanDerWaalsContact O-N 3.16Å; D722-E726 PolarHBondContact O-N 3.4Å
723T70.7Confident68Low18 Ų1866.3 Ų66.311%0.1134%0.344CS..Hα-helixtrans-64.7-35.917449.30000112.3F692 M699 V719 L720 Q721 E725 E726 L727F692-T723 VanDerWaalsContact CE2-O 3.23Å; F692-T723 WeakPolarHBondContact CE2-O 3.33Å; F692-T723 WeakPolarHBondContact CZ-O 3.41Å; M699-T723 HydrophobicContact CE-CG2 3.76Å; M699-T723 WeakPolarHBondContact CE-OG1 3.44Å; M699-T723 HydrophobicContact SD-CG2 3.9Å; V719-T723 WeakPolarHBondContact O-CB 3.49Å; V719-T723 WeakPolarHBondContact O-CG2 3.38Å; V719-T723 PolarHBondContact O-N 2.71Å; V719-T723 VanDerWaalsContact O-N 3.1Å; V719-T723 PolarHBondContact O-OG1 2.7Å; L720-T723 WeakPolarHBondContact CA-OG1 3.33Å; L720-T723 PolarHBondContact O-OG1 3.14Å; Q721-T723 VanDerWaalsContact C-N 3.31Å; Q721-T723 PolarHBondContact O-N 3.04Å; T723-E725 PolarHBondContact O-N 2.95Å; T723-E726 VanDerWaalsContact O-CB 3.27Å; T723-E726 WeakPolarHBondContact O-CB 3.44Å; T723-E726 PolarHBondContact O-N 3.21Å; T723-E726 VanDerWaalsContact O-N 3.14Å; T723-L727 PolarHBondContact O-N 3.22Å
724F66.9Low68.1Low18 Ų1866.1 Ų66.18%0.07934%0.338CS..Hα-helixtrans-64.5-30.3174.3-142.1-86.2000112.6L641 K644 V645 L720 Q721 D722 L727 C728L641-F724 HydrophobicContact CD1-CD1 4.36Å; L641-F724 HydrophobicContact CD1-CD2 3.62Å; L641-F724 HydrophobicContact CD1-CE1 4.45Å; L641-F724 HydrophobicContact CD1-CE2 3.72Å; L641-F724 HydrophobicContact CD1-CG 3.95Å; L641-F724 HydrophobicContact CD1-CZ 4.15Å; L641-F724 HydrophobicContact CD2-CD2 3.86Å; L641-F724 HydrophobicContact CD2-CE2 4.03Å; L641-F724 HydrophobicContact CG-CD2 3.79Å; L641-F724 HydrophobicContact CG-CE2 3.59Å; L641-F724 HydrophobicContact CG-CZ 4.27Å; K644-F724 HydrophobicContact CB-CE1 4.35Å; K644-F724 HydrophobicContact CB-CZ 3.94Å; K644-F724 HydrophobicContact CD-CE1 4.39Å; V645-F724 HydrophobicContact CG2-CE2 3.62Å; V645-F724 HydrophobicContact CG2-CZ 3.97Å; L720-F724 PolarHBondContact O-N 2.98Å; Q721-F724 WeakPolarHBondContact O-CA 3.48Å; Q721-F724 WeakPolarHBondContact O-CB 3.49Å; Q721-F724 PolarHBondContact O-N 2.95Å; D722-F724 VanDerWaalsContact C-N 3.33Å; D722-F724 PolarHBondContact O-N 3.18Å; F724-L727 HydrophobicContact CZ-CD2 4.38Å; F724-L727 WeakPolarHBondContact O-CB 3.26Å; F724-C728 PolarHBondContact O-N 3.42Å; F724-C728 PolarHBondContact O-SG 3.37Å; F724-C728 VanDerWaalsContact O-SG 3.41Å
725E72.4Confident67.8Low147 Ų14761.8 Ų61.869%0.68732%0.317SS*.Hα-helixtrans-71.5-38.4170.8-62.7-157.5164.100112.2Q721 D722 T723 L727 C728 S729Q721-E725 PolarHBondContact O-N 2.91Å; Q721-E725 VanDerWaalsContact O-N 3.09Å; D722-E725 PolarHBondContact O-N 3.26Å; D722-E725 VanDerWaalsContact O-N 3.16Å; T723-E725 PolarHBondContact O-N 2.95Å; E725-L727 VanDerWaalsContact C-N 3.31Å; E725-L727 PolarHBondContact O-N 2.93Å; E725-C728 PolarHBondContact O-N 3.04Å; E725-S729 WeakPolarHBondContact O-CB 3.44Å; E725-S729 PolarHBondContact O-N 3.24Å
726E74.3Confident67.1Low92 Ų9260.1 Ų60.143%0.4331%0.309SS..Hα-helixtrans-53.3-46.6169-116.6-163.8156.800111.1F692 R695 D722 T723 C728 S729 L730F692-E726 HydrophobicContact CD2-CB 4.23Å; F692-E726 HydrophobicContact CE2-CB 3.67Å; F692-E726 WeakPolarHBondContact CE2-OE2 3.49Å; R695-E726 VanDerWaalsContact NH1-CD 3.35Å; R695-E726 IonicContact NH1-OE1 2.74Å; R695-E726 PolarHBondContact NH1-OE1 3.43Å; R695-E726 IonicContact NH1-OE2 3.75Å; R695-E726 PolarHBondContact NH1-OE2 3.23Å; D722-E726 PolarHBondContact O-N 3.4Å; T723-E726 VanDerWaalsContact O-CB 3.27Å; T723-E726 WeakPolarHBondContact O-CB 3.44Å; T723-E726 PolarHBondContact O-N 3.21Å; T723-E726 VanDerWaalsContact O-N 3.14Å; E726-C728 PolarHBondContact O-N 3.36Å; E726-S729 PolarHBondContact O-N 3.27Å; E726-L730 WeakPolarHBondContact O-CB 3.28Å; E726-L730 PolarHBondContact O-N 3.06Å
727L67.6Low66.2Low12 Ų1262.8 Ų62.86%0.06332%0.322CS..Hα-helixtrans-58.4-48.1176.3-176.769.1000111.7L648 F692 L696 T723 F724 E725 S729 L730 I731L648-L727 HydrophobicContact CD1-CD2 3.81Å; F692-L727 HydrophobicContact CD1-CB 4.04Å; F692-L727 HydrophobicContact CD1-CD1 3.4Å; F692-L727 HydrophobicContact CD1-CG 4.24Å; F692-L727 HydrophobicContact CE1-CB 3.47Å; F692-L727 VanDerWaalsContact CE1-CB 3.47Å; F692-L727 HydrophobicContact CE1-CD1 3.59Å; F692-L727 HydrophobicContact CE1-CD2 4.31Å; F692-L727 HydrophobicContact CE1-CG 3.95Å; F692-L727 HydrophobicContact CE2-CB 4.48Å; F692-L727 HydrophobicContact CG-CD1 4.35Å; F692-L727 HydrophobicContact CZ-CB 3.76Å; L696-L727 HydrophobicContact CD1-CD2 4.35Å; T723-L727 PolarHBondContact O-N 3.22Å; F724-L727 HydrophobicContact CZ-CD2 4.38Å; F724-L727 WeakPolarHBondContact O-CB 3.26Å; E725-L727 VanDerWaalsContact C-N 3.31Å; E725-L727 PolarHBondContact O-N 2.93Å; L727-S729 VanDerWaalsContact C-N 3.34Å; L727-L730 PolarHBondContact O-N 3.05Å; L727-I731 HydrophobicContact CD1-CD1 3.97Å; L727-I731 HydrophobicContact CD1-CG1 4.42Å; L727-I731 HydrophobicContact CD2-CD1 4.46Å; L727-I731 HydrophobicContact CG-CD1 3.89Å; L727-I731 WeakPolarHBondContact O-CG1 3.44Å; L727-I731 PolarHBondContact O-N 3.25Å
728C62.6Low65.2Low22 Ų2267 Ų6715%0.14934%0.34CS..Hα-helixtrans-63.8-41.4-179-72.40000111.2I624 F724 E725 E726 I731 S732I624-C728 HydrophobicContact CD1-CB 4.33Å; F724-C728 PolarHBondContact O-N 3.42Å; F724-C728 PolarHBondContact O-SG 3.37Å; F724-C728 VanDerWaalsContact O-SG 3.41Å; E725-C728 PolarHBondContact O-N 3.04Å; E726-C728 PolarHBondContact O-N 3.36Å; C728-I731 PolarHBondContact O-N 2.59Å; C728-S732 PolarHBondContact O-N 3.46Å; C728-S732 PolarHBondContact O-OG 3.02Å
729S71.8Confident63.6Low74 Ų7468.7 Ų68.752%0.51735%0.347SS..Hα-helixtrans-62.3-43.1174.3-170.40000112.1E725 E726 L727 S732 R733E725-S729 WeakPolarHBondContact O-CB 3.44Å; E725-S729 PolarHBondContact O-N 3.24Å; E726-S729 PolarHBondContact O-N 3.27Å; L727-S729 VanDerWaalsContact C-N 3.34Å; S729-S732 PolarHBondContact O-N 2.87Å; S729-R733 PolarHBondContact O-N 3.42Å
730L68.9Low62Low27 Ų2772.6 Ų72.614%0.14137%0.365CS..Hα-helixtrans-64-43178.1-155.983.3000112.4Q688 L689 F692 E726 L727 R733 I734Q688-L730 HydrophobicContact CB-CD1 4.08Å; Q688-L730 HydrophobicContact CB-CD2 3.96Å; L689-L730 HydrophobicContact CB-CD2 4.32Å; L689-L730 HydrophobicContact CD1-CD2 4.27Å; F692-L730 HydrophobicContact CB-CD2 4.47Å; E726-L730 WeakPolarHBondContact O-CB 3.28Å; E726-L730 PolarHBondContact O-N 3.06Å; L727-L730 PolarHBondContact O-N 3.05Å; L730-R733 WeakPolarHBondContact O-CB 3.16Å; L730-R733 PolarHBondContact O-N 3.16Å; L730-I734 HydrophobicContact CD2-CD1 4.46Å; L730-I734 HydrophobicContact CG-CD1 4.33Å; L730-I734 VanDerWaalsContact O-CG1 3.31Å; L730-I734 WeakPolarHBondContact O-CG1 3.49Å; L730-I734 PolarHBondContact O-N 3.11Å
731I63.2Low60.7Low41 Ų4176.6 Ų76.621%0.2138%0.382CS..Hα-helixtrans-68.1-37.9177.7-68.9175000111L648 L689 L727 C728 I734 T735L648-I731 HydrophobicContact CD1-CD1 4.33Å; L648-I731 HydrophobicContact CD2-CD1 4.01Å; L689-I731 HydrophobicContact CD1-CG1 4.2Å; L727-I731 HydrophobicContact CD1-CD1 3.97Å; L727-I731 HydrophobicContact CD1-CG1 4.42Å; L727-I731 HydrophobicContact CD2-CD1 4.46Å; L727-I731 HydrophobicContact CG-CD1 3.89Å; L727-I731 WeakPolarHBondContact O-CG1 3.44Å; L727-I731 PolarHBondContact O-N 3.25Å; C728-I731 PolarHBondContact O-N 2.59Å; I731-I734 PolarHBondContact O-N 3.5Å; I731-T735 HydrophobicContact CG2-CG2 4.48Å; I731-T735 WeakPolarHBondContact O-CG2 3.27Å; I731-T735 PolarHBondContact O-N 2.96Å; I731-T735 PolarHBondContact O-OG1 2.81Å
732S67Low59.4Low23 Ų2378.5 Ų78.516%0.16140%0.395CS..Hα-helixtrans-59.3-50.4172.4-62.50000111C728 S729 I734 T735 E736C728-S732 PolarHBondContact O-N 3.46Å; C728-S732 PolarHBondContact O-OG 3.02Å; S729-S732 PolarHBondContact O-N 2.87Å; S732-I734 VanDerWaalsContact C-N 3.31Å; S732-I734 PolarHBondContact O-N 3.32Å; S732-T735 PolarHBondContact O-N 3.38Å; S732-T735 PolarHBondContact O-OG1 3.02Å; S732-E736 WeakPolarHBondContact O-CB 3.48Å; S732-E736 WeakPolarHBondContact O-CG 3.46Å; S732-E736 PolarHBondContact O-N 2.87Å
733R67.9Low57.9Low143 Ų14379.7 Ų79.754%0.5440%0.397SS..Hα-helixtrans-51.2-46.6173-98.816549.2105.5-1.3113.2S729 L730 T735S729-R733 PolarHBondContact O-N 3.42Å; L730-R733 WeakPolarHBondContact O-CB 3.16Å; L730-R733 PolarHBondContact O-N 3.16Å; R733-T735 VanDerWaalsContact C-N 3.29Å; R733-T735 PolarHBondContact O-N 3.33Å
734I58.5Low56.4Low42 Ų4280.6 Ų80.622%0.21541%0.41CS..Hα-helixtrans-71.9-22.5-177.9-67.2169000112.5I681 L689 L730 I731 S732I681-I734 HydrophobicContact CG2-CG2 4.16Å; L689-I734 HydrophobicContact CD1-CD1 3.76Å; L730-I734 HydrophobicContact CD2-CD1 4.46Å; L730-I734 HydrophobicContact CG-CD1 4.33Å; L730-I734 VanDerWaalsContact O-CG1 3.31Å; L730-I734 WeakPolarHBondContact O-CG1 3.49Å; L730-I734 PolarHBondContact O-N 3.11Å; I731-I734 PolarHBondContact O-N 3.5Å; S732-I734 VanDerWaalsContact C-N 3.31Å; S732-I734 PolarHBondContact O-N 3.32Å
735T55.4Low55.3Low46 Ų4685 Ų8528%0.28243%0.431SS..Hα-helixtrans-97.5-18.9179.349.60000113.8I731 S732 R733 E737I731-T735 HydrophobicContact CG2-CG2 4.48Å; I731-T735 WeakPolarHBondContact O-CG2 3.27Å; I731-T735 PolarHBondContact O-N 2.96Å; I731-T735 PolarHBondContact O-OG1 2.81Å; S732-T735 PolarHBondContact O-N 3.38Å; S732-T735 PolarHBondContact O-OG1 3.02Å; R733-T735 VanDerWaalsContact C-N 3.29Å; R733-T735 PolarHBondContact O-N 3.33Å; T735-E737 VanDerWaalsContact C-N 3.35Å; T735-E737 PolarHBondContact O-N 3.16Å
736E54.1Low54.2Low105 Ų10585.1 Ų85.149%0.49143%0.429SS..Hα-helixtrans-75.1-17.2-179.1-79.8176.7175.300114.6S732 E738 N739S732-E736 WeakPolarHBondContact O-CB 3.48Å; S732-E736 WeakPolarHBondContact O-CG 3.46Å; S732-E736 PolarHBondContact O-N 2.87Å; E736-E738 PolarHBondContact O-N 3.48Å; E736-E738 VanDerWaalsContact O-N 3.12Å; E736-N739 PolarHBondContact O-ND2 3.25Å
737E47.6Very low52.9Low132 Ų13287.3 Ų87.362%0.61744%0.439SS*.G310 helixtrans-64.8-8.5172.9-70.2-164.4159.600114.3T735 N739T735-E737 VanDerWaalsContact C-N 3.35Å; T735-E737 PolarHBondContact O-N 3.16Å; E737-N739 VanDerWaalsContact C-N 3.26Å; E737-N739 PolarHBondContact O-N 2.89Å
738E41.8Very low52.2Low121 Ų12191.4 Ų91.457%0.56546%0.46SS*.G310 helixtrans-69-15.1177.6-71.9-164.2137.300114.5E736 D740E736-E738 PolarHBondContact O-N 3.48Å; E736-E738 VanDerWaalsContact O-N 3.12Å; E738-D740 PolarHBondContact O-N 2.89Å
739N38.6Very low51.7Low105 Ų10595.9 Ų95.956%0.56148%0.479SS*.G310 helixtrans-80.2-16.4-161.7-70.2-73.4000117.3E736 E737E736-N739 PolarHBondContact O-ND2 3.25Å; E737-N739 VanDerWaalsContact C-N 3.26Å; E737-N739 PolarHBondContact O-N 2.89Å
740D41.6Very low51.1Low157 Ų15797.2 Ų97.284%0.8448%0.48SS*.G310 helixtrans-101.3-5.6-178-101.7-14000114.7E738E738-D740 PolarHBondContact O-N 2.89Å
741F40.8Very low50.5Low95 Ų95101 Ų10142%0.41750%0.499SS..SBendtrans-81.7-20.6-173.3-91-115000114.8H677 E743 G744 E745H677-F741 HydrophobicContact CB-CE1 3.74Å; H677-F741 HydrophobicContact CB-CZ 4.13Å; H677-F741 AromaticContact ND1-CE1 3.89Å; H677-F741 AromaticContact ND1-CZ 3.37Å; H677-F741 WeakPolarHBondContact ND1-CZ 3.26Å; F741-E743 VanDerWaalsContact C-N 3.34Å; F741-E743 PolarHBondContact O-N 3.19Å; F741-G744 PolarHBondContact O-N 3.01Å; F741-E745 PolarHBondContact O-N 3.06Å
742D42.3Very low49.8Very low125 Ų125102.8 Ų102.867%0.66851%0.509SS*.Hα-helixtrans-68.5-22.6-168.5-103.81.9000114.9
743E41.2Very low49.1Very low129 Ų129107 Ų10760%0.60353%0.526SS*.Hα-helixtrans-84.8-33176.8-102.7172.5-146.300113R613 F741 Q747R613-E743 IonicContact NH2-OE1 2.66Å; F741-E743 VanDerWaalsContact C-N 3.34Å; F741-E743 PolarHBondContact O-N 3.19Å; E743-Q747 PolarHBondContact O-N 3.15Å
744G40.8Very low48.4Very low36 Ų36104.8 Ų104.837%0.37153%0.525SS..Hα-helixtrans-67.9-42.3176.800000112.9F741 K746 Q747 I748F741-G744 PolarHBondContact O-N 3.01Å; G744-K746 VanDerWaalsContact C-N 3.28Å; G744-K746 PolarHBondContact O-N 3.25Å; G744-Q747 PolarHBondContact O-N 3.25Å; G744-I748 VanDerWaalsContact O-CG1 3.31Å; G744-I748 WeakPolarHBondContact O-CG1 3.5Å; G744-I748 PolarHBondContact O-N 3.24Å
745E42.8Very low47.9Very low112 Ų112106 Ų10652%0.52353%0.534SS..Hα-helixtrans-67.1-31.9-178.5-160.7170.6-138.600112F741 I748 Q749F741-E745 PolarHBondContact O-N 3.06Å; E745-I748 PolarHBondContact O-N 2.8Å; E745-Q749 WeakPolarHBondContact O-CB 3.35Å; E745-Q749 WeakPolarHBondContact O-CG 3.42Å; E745-Q749 PolarHBondContact O-N 2.88Å
746K48.9Very low47.4Very low149 Ų149109 Ų10965%0.64855%0.548SS*.Hα-helixtrans-66.9-46.3175.9-129.7178.2-174.5179.10112.8G744 I748 Q749 D750G744-K746 VanDerWaalsContact C-N 3.28Å; G744-K746 PolarHBondContact O-N 3.25Å; K746-I748 VanDerWaalsContact C-N 3.33Å; K746-I748 PolarHBondContact O-N 2.62Å; K746-Q749 PolarHBondContact O-N 3Å; K746-D750 PolarHBondContact O-N 2.92Å
747Q48.7Very low47.1Very low138 Ų138109.5 Ų109.565%0.64555%0.549SS*.Hα-helixtrans-63.6-39.4174.3-73-171.92.800111.8E743 G744 Q749 D750 I751E743-Q747 PolarHBondContact O-N 3.15Å; G744-Q747 PolarHBondContact O-N 3.25Å; Q747-Q749 VanDerWaalsContact C-N 3.34Å; Q747-Q749 PolarHBondContact O-N 3.17Å; Q747-D750 PolarHBondContact O-N 2.88Å; Q747-I751 WeakPolarHBondContact O-CB 3.39Å; Q747-I751 WeakPolarHBondContact O-CD1 3.12Å; Q747-I751 VanDerWaalsContact O-CG1 3.23Å; Q747-I751 WeakPolarHBondContact O-CG1 3.39Å; Q747-I751 PolarHBondContact O-N 2.91Å
748I52.8Low47Very low98 Ų98111.2 Ų111.250%0.50355%0.554SS.*Hα-helixtrans-65.4-37.2177-69.3168.6000111.1G744 E745 K746 L752G744-I748 VanDerWaalsContact O-CG1 3.31Å; G744-I748 WeakPolarHBondContact O-CG1 3.5Å; G744-I748 PolarHBondContact O-N 3.24Å; E745-I748 PolarHBondContact O-N 2.8Å; K746-I748 VanDerWaalsContact C-N 3.33Å; K746-I748 PolarHBondContact O-N 2.62Å; I748-L752 HydrophobicContact CG2-CD1 3.79Å; I748-L752 HydrophobicContact CG2-CG 4.33Å; I748-L752 VanDerWaalsContact O-CB 3.3Å; I748-L752 WeakPolarHBondContact O-CB 3.44Å; I748-L752 VanDerWaalsContact O-CG 3.24Å; I748-L752 WeakPolarHBondContact O-CG 3.39Å; I748-L752 PolarHBondContact O-N 2.64Å
749Q52.3Low47.3Very low116 Ų116112 Ų11254%0.54256%0.558SS.*Hα-helixtrans-67.8-44.1174.1-79.6176.2-1.700112.6E745 K746 Q747 I751 L752 E753E745-Q749 WeakPolarHBondContact O-CB 3.35Å; E745-Q749 WeakPolarHBondContact O-CG 3.42Å; E745-Q749 PolarHBondContact O-N 2.88Å; K746-Q749 PolarHBondContact O-N 3Å; Q747-Q749 VanDerWaalsContact C-N 3.34Å; Q747-Q749 PolarHBondContact O-N 3.17Å; Q749-I751 VanDerWaalsContact C-N 3.31Å; Q749-I751 PolarHBondContact O-N 3.45Å; Q749-L752 PolarHBondContact O-N 2.9Å; Q749-E753 WeakPolarHBondContact O-CB 3.26Å; Q749-E753 PolarHBondContact O-N 3.32Å
750D58.1Low47.5Very low102 Ų102110.8 Ų110.855%0.54556%0.558SS.*Hα-helixtrans-62.2-37.9174.9-82.3-17.8000112.1K746 Q747 N754K746-D750 PolarHBondContact O-N 2.92Å; Q747-D750 PolarHBondContact O-N 2.88Å; D750-N754 WeakPolarHBondContact O-CB 3.19Å; D750-N754 PolarHBondContact O-N 3.48Å; D750-N754 VanDerWaalsContact O-N 3.12Å; D750-N754 PolarHBondContact O-ND2 2.85Å
751I55.8Low47.6Very low105 Ų105107 Ų10754%0.53854%0.544SS..Hα-helixtrans-67.4-47174.5-68.6165.5000110.7Q747 Q749 E753 N754 V755Q747-I751 WeakPolarHBondContact O-CB 3.39Å; Q747-I751 WeakPolarHBondContact O-CD1 3.12Å; Q747-I751 VanDerWaalsContact O-CG1 3.23Å; Q747-I751 WeakPolarHBondContact O-CG1 3.39Å; Q747-I751 PolarHBondContact O-N 2.91Å; Q749-I751 VanDerWaalsContact C-N 3.31Å; Q749-I751 PolarHBondContact O-N 3.45Å; I751-E753 VanDerWaalsContact C-N 3.33Å; I751-E753 PolarHBondContact O-N 2.88Å; I751-N754 PolarHBondContact O-N 3.36Å; I751-V755 HydrophobicContact CG2-CG2 4.3Å; I751-V755 WeakPolarHBondContact O-CB 3.39Å; I751-V755 VanDerWaalsContact O-CG2 3.28Å; I751-V755 WeakPolarHBondContact O-CG2 3.43Å; I751-V755 PolarHBondContact O-N 3.34Å
752L49Very low47.6Very low79 Ų79106.9 Ų106.941%0.41455%0.551SS.*Hα-helixtrans-64.5-35.1178.7-76.4170.5000112.6I748 Q749 N756I748-L752 HydrophobicContact CG2-CD1 3.79Å; I748-L752 HydrophobicContact CG2-CG 4.33Å; I748-L752 VanDerWaalsContact O-CB 3.3Å; I748-L752 WeakPolarHBondContact O-CB 3.44Å; I748-L752 VanDerWaalsContact O-CG 3.24Å; I748-L752 WeakPolarHBondContact O-CG 3.39Å; I748-L752 PolarHBondContact O-N 2.64Å; Q749-L752 PolarHBondContact O-N 2.9Å; L752-N756 WeakPolarHBondContact O-CB 3.15Å; L752-N756 PolarHBondContact O-N 2.88Å; L752-N756 PolarHBondContact O-ND2 3.29Å
753E51.6Low47.3Very low112 Ų112108.9 Ų108.952%0.52355%0.55SS.*Hα-helixtrans-70.7-38.6176.8-145-168.1-129.800111.2Q749 I751 K757Q749-E753 WeakPolarHBondContact O-CB 3.26Å; Q749-E753 PolarHBondContact O-N 3.32Å; I751-E753 VanDerWaalsContact C-N 3.33Å; I751-E753 PolarHBondContact O-N 2.88Å; E753-K757 WeakPolarHBondContact O-CB 3.37Å; E753-K757 WeakPolarHBondContact O-CD 3.5Å; E753-K757 VanDerWaalsContact O-CG 3.26Å; E753-K757 WeakPolarHBondContact O-CG 3.25Å; E753-K757 PolarHBondContact O-N 3.46Å; E753-K757 WeakPolarHBondContact OE2-CE 3.31Å; E753-K757 IonicContact OE2-NZ 2.68Å; E753-K757 PolarHBondContact OE2-NZ 2.96Å
754N53.5Low47.1Very low97 Ų97107.4 Ų107.452%0.51955%0.553SS.*Hα-helixtrans-68.4-38.1174.1-79.1-54.3000113.3D750 I751 K757 K758D750-N754 WeakPolarHBondContact O-CB 3.19Å; D750-N754 PolarHBondContact O-N 3.48Å; D750-N754 VanDerWaalsContact O-N 3.12Å; D750-N754 PolarHBondContact O-ND2 2.85Å; I751-N754 PolarHBondContact O-N 3.36Å; N754-K757 PolarHBondContact O-N 3.26Å; N754-K758 PolarHBondContact O-N 3.44Å
755V48.6Very low46.9Very low66 Ų66111.9 Ų111.940%0.457%0.568SS.*Hα-helixtrans-66.9-42.9175.4170.60000111I751 K757 K758 H759I751-V755 HydrophobicContact CG2-CG2 4.3Å; I751-V755 WeakPolarHBondContact O-CB 3.39Å; I751-V755 VanDerWaalsContact O-CG2 3.28Å; I751-V755 WeakPolarHBondContact O-CG2 3.43Å; I751-V755 PolarHBondContact O-N 3.34Å; V755-K757 PolarHBondContact O-N 3.44Å; V755-K758 PolarHBondContact O-N 3.11Å; V755-H759 PolarHBondContact O-CD2 2.78Å; V755-H759 PolarHBondContact O-N 2.76Å
756N45Very low46.6Very low109 Ų109112.6 Ų112.658%0.58357%0.572SS**Hα-helixtrans-66.4-35.3175.1-78.4-61.2000112.8L752 S760L752-N756 WeakPolarHBondContact O-CB 3.15Å; L752-N756 PolarHBondContact O-N 2.88Å; L752-N756 PolarHBondContact O-ND2 3.29Å; N756-S760 PolarHBondContact O-N 3Å; N756-S760 PolarHBondContact O-OG 3.23Å
757K47.3Very low46Very low117 Ų117109.1 Ų109.151%0.50956%0.56SS.*Hα-helixtrans-63.9-36.8172.5-76.9165.8-178.3165.60112.3E753 N754 V755E753-K757 WeakPolarHBondContact O-CB 3.37Å; E753-K757 WeakPolarHBondContact O-CD 3.5Å; E753-K757 VanDerWaalsContact O-CG 3.26Å; E753-K757 WeakPolarHBondContact O-CG 3.25Å; E753-K757 PolarHBondContact O-N 3.46Å; E753-K757 WeakPolarHBondContact OE2-CE 3.31Å; E753-K757 IonicContact OE2-NZ 2.68Å; E753-K757 PolarHBondContact OE2-NZ 2.96Å; N754-K757 PolarHBondContact O-N 3.26Å; V755-K757 PolarHBondContact O-N 3.44Å
758K45.9Very low45.6Very low167 Ų167107.2 Ų107.273%0.72656%0.561SS**Hα-helixtrans-77.8-35.1176.9-79.7-174.4175.2179.70114.7N754 V755 S761N754-K758 PolarHBondContact O-N 3.44Å; V755-K758 PolarHBondContact O-N 3.11Å; K758-S761 PolarHBondContact O-OG 3.41Å
759H48.4Very low44.9Very low137 Ų137106.7 Ų106.763%0.63457%0.566SS**Hα-helixtrans-79.9-20179.4-78-72.5000114.5V755V755-H759 PolarHBondContact O-CD2 2.78Å; V755-H759 PolarHBondContact O-N 2.76Å
760S42.9Very low44.3Very low81 Ų81107.4 Ų107.457%0.56657%0.572SS**Hα-helixtrans-77.2-17.117973.80000115N756N756-S760 PolarHBondContact O-N 3Å; N756-S760 PolarHBondContact O-OG 3.23Å
761S42.9Very low43.4Very low78 Ų78110.9 Ų110.955%0.54558%0.583SS.*Hα-helixtrans-86-29.4-179.656.40000114.1K758K758-S761 PolarHBondContact O-OG 3.41Å
762T41.1Very low42.4Very low92 Ų92114.7 Ų114.756%0.56460%0.595SS**Hα-helixtrans-92.8-34.5-173.5-36.50000113C764T762-C764 VanDerWaalsContact C-N 3.29Å; T762-C764 PolarHBondContact O-N 2.8Å
763Y35.9Very low41.6Very low167 Ų167117.7 Ų117.766%0.65561%0.612SS**THydrogen-bonded Turntrans-77.8-6.8-171.9-149.6-110.8000114.9I767Y763-I767 HydrophobicContact CD1-CD1 3.88Å; Y763-I767 HydrophobicContact CE1-CD1 3.4Å; Y763-I767 VanDerWaalsContact CE1-CD1 3.4Å
764C36.8Very low40.8Very low97 Ų97122 Ų12266%0.65563%0.629SS**THydrogen-bonded Turntrans-92.8-10.8-178.2-74.20000115.1T762T762-C764 VanDerWaalsContact C-N 3.29Å; T762-C764 PolarHBondContact O-N 2.8Å
765N37.1Very low39.8Very low130 Ų130125.8 Ų125.870%0.69564%0.643SS**THydrogen-bonded Turntrans-98.2-21.8-177.3-74.2-21.6000114.6
766E36.3Very low38.9Very low128 Ų128130.3 Ų130.360%0.59866%0.664SS**SBendtrans-90.9-29.9-175.7-65.5-179.9148.700113.6S768 S769E766-S768 VanDerWaalsContact C-N 3.27Å; E766-S768 PolarHBondContact O-N 3.48Å; E766-S769 PolarHBondContact O-N 3.14Å
767I36.6Very low38.3Very low76 Ų76132.1 Ų132.139%0.3967%0.673SS.*THydrogen-bonded Turntrans-75.2-15-176.9-66.7178.7000112.8Y763Y763-I767 HydrophobicContact CD1-CD1 3.88Å; Y763-I767 HydrophobicContact CE1-CD1 3.4Å; Y763-I767 VanDerWaalsContact CE1-CD1 3.4Å
768S40.5Very low37.6Very low98 Ų98137 Ų13769%0.68570%0.695SS**THydrogen-bonded Turntrans-83.8-13.7176.2-1600000114.3E766E766-S768 VanDerWaalsContact C-N 3.27Å; E766-S768 PolarHBondContact O-N 3.48Å
769S38.3Very low36.9Very low86 Ų86136.5 Ų136.560%0.60170%0.698SS**THydrogen-bonded Turntrans-93.7-27.8178.5-59.70000112.6E766 K771E766-S769 PolarHBondContact O-N 3.14Å; S769-K771 PolarHBondContact O-N 3.14Å
770I37.9Very low36.1Very low131 Ų131138.3 Ų138.367%0.67271%0.707SS**THydrogen-bonded Turntrans-83.5-12.3-174.1-64.4170.4000112.7
771K40Very low35.5Very low175 Ų175144.5 Ų144.576%0.76172%0.724SS**THydrogen-bonded Turntrans-9414.9179.5-79-177.7176.2173.80115.8S769S769-K771 PolarHBondContact O-N 3.14Å
772K34.4Very low34.9Very low185 Ų185146.6 Ų146.680%0.80474%0.737SS**SBendtrans-118.3-4.5173.7-86.2-174.3173.7-179.30116.4
773N33.6Very low34.3Very low142 Ų142151.1 Ų151.176%0.75975%0.754SS**SBendtrans-119.931.2-171.4-79.9-0.8000115.5
774K34.4Very low34.1Very low204 Ų204150.4 Ų150.489%0.88776%0.762SS**SBendtrans-132.327.4174.4-90.8-173.6176.2176.40115.2
775Q32.2Very low34Very low175 Ų175154.6 Ų154.682%0.81877%0.771SS**SBendtrans-129.2145.9160.7-97.8158.1-29.700107.6
776I29.8Very low33.8Very low162 Ų162154.5 Ų154.583%0.83178%0.775SS**SBendtrans83.1138-157.2-50.9160000110.9
777N31.9Very low33.5Very low147 Ų147157 Ų15779%0.78678%0.784SS**SBendtrans76.758.9-176.7-57.7-9.7000119.3
778K33.5Very low33.3Very low219 Ų219162.1 Ų162.195%0.95281%0.806SS**SBendtrans-157.524.3136.3-123.8175.1-175.6179.20115.1
779I31.3Very low32.9Very low156 Ų156161.4 Ų161.480%0.880%0.802SS**SBendtrans-115.8146.9157.3-59.8175.1000104.2
780E29.9Very low32.7Very low175 Ų175165.5 Ų165.582%0.81881%0.809SS**  trans77.466-171.6-52.4-171.5150.400116.7
781K31.9Very low32.5Very low212 Ų212166.7 Ų166.792%0.92281%0.809SS**SBendtrans-147.127.7142.8-130.4-178.5-177.1-171.80115.5
782C29.1Very low32.2Very low121 Ų121165.6 Ų165.682%0.81881%0.807SS**SBendtrans-128.8128.2157.7-59.90000107
783M29.1Very low32.2Very low187 Ų187165.6 Ų165.692%0.92181%0.807SS**  trans86.383.3-165-58.3-175.8165.800115.4
784N31.1Very low32.2Very low153 Ų153164.5 Ų164.582%0.81881%0.807SS**  trans-153.253154.3-112.3-27.8000114.1
785H36.1Very low32.2Very low184 Ų184162.9 Ų162.985%0.85281%0.806SS**  trans-139.5123.5150.9-62.8-72.7000103.8
786T31.9Very low32.4Very low128 Ų128160.2 Ų160.279%0.78580%0.802SS**  cis-157.5136.832.2-58.60000111.8
787K30Very low32.5Very low181 Ų181158.5 Ų158.579%0.78779%0.794SS**  trans11.7148.1155.9-61.5176.5176.5174.10123
788Q32.9Very low32.7Very low183 Ų183159.5 Ų159.586%0.85580%0.799SS**  trans80.3142.9157.4-67.9161.17.600117.8
789S31.3Very low32.6Very low84 Ų84156.4 Ų156.459%0.58779%0.788SS**  cis-171.7165.2-14.649.40000112.1
790F34.1Very low32.7Very low172 Ų172158 Ų15875%0.75479%0.792SS**  trans69.6152.1170.1-60.2-84.7000119.8
791K34.1Very low32.8Very low155 Ų155158.2 Ų158.267%0.67479%0.791SS**  cis-171.7152.3-38.4-113-166.4-161.2178.80109.6
792H34Very low32.9Very low153 Ų153153.5 Ų153.571%0.70878%0.783SS**  trans69.3152.8158.7-67.3-43.6000120.5
793K34.1Very low33.1Very low185 Ų185154.6 Ų154.680%0.80478%0.78SS**  cis-170146.8-28-130.4-176.5-178.8-174.80108.8
794P34.2Very low33.1Very low118 Ų118151.5 Ų151.577%0.76677%0.772SS**  trans-116.8167.9-178.440.9-32.7000116.5
795I34.6Very low33.2Very low170 Ų170154.6 Ų154.687%0.87278%0.779SS**  trans-155.1155.6178-55.5-178000108.3
796V35.7Very low32.8Very low119 Ų119154.8 Ų154.872%0.72178%0.78SS**  -166.9149.5-56.4128.80000110.5
797N32Very low32.8Very low126 Ų126155.8 Ų155.867%0.67479%0.785SS**  trans16.6142.4162.7-56.9-7.7000124.1
798N35.7Very low32.7Very low168 Ų168157.3 Ų157.390%0.89879%0.792SS**  -161.3164.4106.1-99.8-14.9000114.9
799H31.1Very low32.6Very low154 Ų154152 Ų15271%0.71379%0.787SS**  trans-125.6152.2-160-103.6-70.9000113.2
800E34.9Very low32.7Very low189 Ų189157.5 Ų157.588%0.88380%0.803SS**  trans-175.1125.8144.7-102.8158.5-160.800106.5
801K32Very low32.6Very low181 Ų181156.2 Ų156.279%0.78780%0.802SS**  cis60.9128.443.5-75-172.5177.9177.80112.6
802C32.2Very low32.4Very low113 Ų113157.9 Ų157.976%0.76481%0.812SS**  cis-135.6-162.67.1-1060000109.6
803N34.4Very low32Very low143 Ų143161.7 Ų161.777%0.76582%0.821SS**  cis-151.8-164.414.7-154-15.8000111.2
804T28.2Very low31.7Very low122 Ų122162.4 Ų162.475%0.74882%0.824SS**  trans-135.9158-175.255.10000114.7
805K32.9Very low31.4Very low219 Ų219162.6 Ų162.695%0.95282%0.823SS**  trans-159.3153.3145.6-110.8169.1-172.9-179.90111.7
806Q29.5Very low31Very low188 Ų188162.1 Ų162.188%0.87982%0.821SS**  trans-105.4149-160-55167-9.300113.4
807V31.2Very low30.8Very low149 Ų149161.7 Ų161.790%0.90383%0.83SS**  trans-146138.9142.7-176.60000109.3
808K28.6Very low30.7Very low212 Ų212164.1 Ų164.192%0.92283%0.834SS**  trans-82.6150.8175.9-71.3174.3173.6175.60111.9
809G30.9Very low30.4Very low73 Ų73160.4 Ų160.475%0.75382%0.817SS**  trans-168.2136.9166.500000112.3
810H31.9Very low30.3Very low199 Ų199159 Ų15992%0.92181%0.806SS**  trans-72.7152.7-170.3-83.2-71.1000115.1
811I31.6Very low30.1Very low144 Ų144154.3 Ų154.374%0.73880%0.799SS**  trans-94.4127167.1-63.2169000109
812Q30.8Very low30Very low190 Ų190152.2 Ų152.289%0.88880%0.801SS**  trans-139.1145.5156.1-81.1-166-21.500110.7
813W26.3Very low29.9Very low234 Ų234156 Ų15689%0.88681%0.808SS**  trans-100126.1-179.3-77.834.3000111.1
814K27.9Very low29.6Very low199 Ų199155.2 Ų155.287%0.86581%0.808SS**  -176.3136.1126.5-104168.7-177.2177.10112.4
815T26.8Very low29.9Very low123 Ų123158.2 Ų158.276%0.75581%0.814SS**  trans44.7109.7143.8-44.20000119.7
816I26.9Very low29.7Very low160 Ų160152.9 Ų152.982%0.82180%0.804SS**  -177132.8128.4-91146.5000107.4
817A31.2Very low30Very low110 Ų110149.2 Ų149.291%0.90980%0.797SS**  trans-135.884.817000000110.4
818K30.1Very low30.1Very low177 Ų177151.2 Ų151.277%0.7780%0.796SS**  trans-126.4120.2173.3-115.5-178.8-179.3177.40109.4
819T28.6Very low30Very low89 Ų89146.2 Ų146.255%0.54679%0.788SS.*  trans60.3121.6149.738.50000122.6R588R588-T819 PolarHBondContact NH1-O 2.97Å; R588-T819 VanDerWaalsContact NH1-O 3.09Å; R588-T819 PolarHBondContact NH2-O 2.99Å; R588-T819 PolarHBondContact NH2-OG1 3.25Å
820R30.2Very low30.3Very low126 Ų126147.3 Ų147.348%0.47578%0.782SS.*  trans100.9123.3132.1-76.9172.8178.2-155.6-3.9121.5N587N587-R820 VanDerWaalsContact N-NH2 3.19Å; N587-R820 PolarHBondContact OD1-NH1 2.71Å; N587-R820 PolarHBondContact OD1-NH2 3.06Å
821A29.1Very low30.1Very low89 Ų89145.6 Ų145.674%0.73677%0.774SS**  71.7173.5124.700000120.7
822V30.1Very low30.2Very low138 Ų138146.4 Ų146.484%0.83677%0.773SS**  trans75.2127.3-171-161.20000110.4
823Q31.7Very low30.3Very low191 Ų191143.8 Ų143.889%0.89377%0.765SS**  cis-127.7153.638.4-70.2163.3-36.800115.7
824T28.3Very low30.4Very low127 Ų127139.3 Ų139.378%0.77976%0.758SS**  trans-117.6131.5164.143.40000108.7
825E33.4Very low30.6Very low185 Ų185136.9 Ų136.986%0.86475%0.75SS**  trans-177.1101159.6-102.1157.7-135.600104.8
826S29.4Very low30.9Very low107 Ų107138.6 Ų138.675%0.74875%0.747SS**  61.1143.865.976.40000114.9
827P35.4Very low31Very low112 Ų112137.5 Ų137.573%0.72774%0.742SS**  cis-136.8-170.1-26.935.2-14.8000113.1
828Q33.2Very low31.1Very low190 Ų190139.8 Ų139.889%0.88874%0.736SS**  trans131.9134.8149.3-69.3-178.1300115.6
829S27.2Very low31.2Very low108 Ų108137.4 Ų137.476%0.75573%0.731SS**  trans-123.9-162.7-178.463.20000107.9
830P35.3Very low31.3Very low95 Ų95140 Ų14062%0.61774%0.742SS**  cis-137.2-169.6-12.840-21.1000114.3
831Q28.7Very low31.1Very low163 Ų163145.3 Ų145.376%0.76276%0.762SS**  trans72.1152153.1-77.6168.85.800117.8
832K32.7Very low31.2Very low162 Ų162150.5 Ų150.570%0.70477%0.768SS**  cis-162.9174.127.6-141.2164.9-166.9177.30113.2
833N33.3Very low31Very low135 Ų135153.4 Ų153.472%0.72277%0.77SS**  trans78.1101.9168.9-48.3-8.6000115
834D28.6Very low31Very low140 Ų140151.1 Ų151.175%0.74976%0.762SS**  75.3113.252.8-61.2-50.5000114.7
835E32.3Very low30.8Very low148 Ų148153.9 Ų153.969%0.69277%0.766SS**  -178.3127.3110.1-90.4-152.2149.500113.2
836K32.4Very low30.6Very low158 Ų158152.7 Ų152.769%0.68776%0.76SS**  trans61.9144.3141.4-63.5166.2-176.7156.80118.7
837L30.2Very low30.4Very low137 Ų137155.2 Ų155.272%0.71776%0.758SS**  cis-162.514121.8-157.290000110.9
838M32.7Very low29.9Very low159 Ų159160.9 Ų160.978%0.78377%0.766SS**  trans52.8148.4151.7-61.6-104.2176.100121.8
839D31.4Very low29.6Very low126 Ų126158.1 Ų158.167%0.67475%0.753SS**  cis-167.3176-30.9-150.1-18.9000109.2
840N32.4Very low29.5Very low144 Ų144160.1 Ų160.177%0.7776%0.761SS**  trans78.1101.2163.2-63.6-52.7000120.1
841R25.2Very low29.2Very low238 Ų238160.3 Ų160.390%0.89876%0.764SS**  trans-94.1142.7154.4-56.6176-174.6175.31.4110.6
842K32.2Very low29.2Very low198 Ų198158.9 Ų158.986%0.86176%0.762SS**  trans-175.7118.6148-99.9154.9-175.41800107.2
843F25.9Very low29.2Very low199 Ų199156.2 Ų156.287%0.87376%0.761SS**  62.9138.679.9-96.3-86.4000114.9
844I30.1Very low29.1Very low142 Ų142156.2 Ų156.273%0.72876%0.756SS**  trans103.697.7-169.1-61.8160.9000110.4
845Q25Very low29.2Very low185 Ų185156.1 Ų156.186%0.86475%0.754SS**  4977.377.6-82.3-172.2-26.100114.6
846H29.6Very low28.9Very low161 Ų161155.1 Ų155.175%0.74575%0.75SS**  trans-147.8116.7148.9-101.4-77.6000111.7
847K25Very low28.6Very low160 Ų160159.5 Ų159.570%0.69676%0.762SS**  trans17.5108.3138.3-142-170.1-168-147.20116.3E849K847-E849 VanDerWaalsContact CE-OE1 3.3Å; K847-E849 WeakPolarHBondContact CE-OE1 3.48Å; K847-E849 IonicContact NZ-OE1 3.69Å; K847-E849 PolarHBondContact NZ-OE1 3.04Å
848Y24.5Very low28.4Very low231 Ų231159.3 Ų159.391%0.90676%0.76SS**  trans-121.7118.8153.6-88.2-81.7000109.5
849E26.1Very low28.2Very low132 Ų132156.8 Ų156.862%0.61776%0.756SS**  trans-78137.3-172.5-76.5160.9162.500111.4K847 S851K847-E849 VanDerWaalsContact CE-OE1 3.3Å; K847-E849 WeakPolarHBondContact CE-OE1 3.48Å; K847-E849 IonicContact NZ-OE1 3.69Å; K847-E849 PolarHBondContact NZ-OE1 3.04Å; E849-S851 PolarHBondContact O-N 2.83Å; E849-S851 VanDerWaalsContact O-N 3.14Å
850V25.8Very low28.1Very low150 Ų150156 Ų15691%0.90976%0.76SS**  trans-65104.5160.1174.60000107.5
851S28.3Very low27.7Very low99 Ų99155.1 Ų155.169%0.69276%0.761SS**  trans-152.3136.6170.2-85.10000112E849E849-S851 PolarHBondContact O-N 2.83Å; E849-S851 VanDerWaalsContact O-N 3.14Å
852N29.6Very low27.7Very low132 Ų132149.7 Ų149.771%0.70676%0.758SS**  trans-50.7158.8168.8-87.7-40.5000113.2H854N852-H854 HydrophobicContact CB-CB 4.11Å
853P33.4Very low27.5Very low107 Ų107146 Ų14670%0.69575%0.752SS**  -119.8116.2102.234.1-31.1000109.2I855P853-I855 HydrophobicContact CB-CG1 4.05Å
854H29.4Very low27.4Very low134 Ų134143.5 Ų143.562%0.6275%0.748SS**  20.394.762-102.6-76.3000114N852N852-H854 HydrophobicContact CB-CB 4.11Å
855I31.3Very low27.3Very low138 Ų138142.9 Ų142.971%0.70875%0.75SS**  trans-131.381.4150.1-53.1-176.7000103.7P853P853-I855 HydrophobicContact CB-CG1 4.05Å
856E26.4Very low27.4Very low128 Ų128139.1 Ų139.160%0.59874%0.74SS**  61.7111.283.2-60.1-173.7147.800110.4I858E856-I858 PolarHBondContact O-N 2.79Å
857W26.7Very low27.4Very low249 Ų249137 Ų13794%0.94374%0.739SS**  38.265.277.1-83.770.6000112.1P859W857-P859 WeakPolarHBondContact O-CD 3.14Å
858I25.3Very low27.7Very low133 Ų133136.9 Ų136.968%0.68274%0.741SS**  trans-93103162.3-60175.8000108.3E856 S860E856-I858 PolarHBondContact O-N 2.79Å; I858-S860 PolarHBondContact O-N 2.93Å
859P27.7Very low28Very low107 Ų107131.1 Ų131.170%0.69573%0.729SS**  trans-80.788.2164.832.6-32.5000109.1W857 T861W857-P859 WeakPolarHBondContact O-CD 3.14Å; P859-T861 PolarHBondContact O-N 3.31Å; P859-T861 VanDerWaalsContact O-N 3.14Å
860S29.5Very low28.3Very low108 Ų108131.3 Ų131.376%0.75574%0.735SS**  trans-81.195.4177.7570000111.5I858I858-S860 PolarHBondContact O-N 2.93Å
861T25.7Very low28.7Very low127 Ų127127.9 Ų127.978%0.77971%0.711SS**  trans-55.6143172.949.80000114.8P859P859-T861 PolarHBondContact O-N 3.31Å; P859-T861 VanDerWaalsContact O-N 3.14Å
862C24.6Very low28.8Very low124 Ų124131.5 Ų131.584%0.83871%0.714SS**  trans159.8123.4145.7-92.30000107
863T26.8Very low29Very low121 Ų121127.1 Ų127.174%0.74270%0.7SS**  cis-146.615317.749.70000112.4
864N25.4Very low28.9Very low146 Ų146128.3 Ų128.378%0.78171%0.705SS**  trans12136.5143.7-47.8-15.2000117.9
865T28.2Very low28.8Very low128 Ų128129.7 Ų129.779%0.78571%0.714SS**  cis-150.1139.446.945.10000115.4
866T26.6Very low28.7Very low106 Ų106127.6 Ų127.665%0.6571%0.711SS**  trans-0.2140131.3-3.60000116.3
867T29.9Very low28.6Very low117 Ų117128.5 Ų128.572%0.71872%0.721SS**  -161.3145.552.147.90000115.7
868H30.2Very low28.7Very low158 Ų158120.9 Ų120.973%0.73171%0.705SS**  trans32142.4131.5-58.7-85.2000120.9
869T32Very low28.9Very low109 Ų109124.5 Ų124.567%0.66971%0.712SS**  cis-171.7147.5138.70000112.5
870N31.9Very low29Very low137 Ų137126.7 Ų126.773%0.73371%0.712SS**  35.3154.7125.5-68.2-6.9000123.2
871I33.4Very low29.2Very low78 Ų78129.4 Ų129.440%0.472%0.718SS.*  cis-147.3-141.7-3.4-111.2161.6000112.2I1090 E1091 T1092 N1093I871-I1090 VanDerWaalsContact CG2-O 3.25Å; I871-I1090 WeakPolarHBondContact CG2-O 3.44Å; I871-E1091 CarbonylContact C-O 3.51Å; I871-E1091 WeakPolarHBondContact CA-O 3.5Å; I871-E1091 WeakPolarHBondContact CB-O 3.25Å; I871-E1091 VanDerWaalsContact CG2-O 3.29Å; I871-E1091 WeakPolarHBondContact CG2-O 3.2Å; I871-E1091 PolarHBondContact N-O 2.86Å; I871-E1091 VanDerWaalsContact N-O 3.08Å; I871-T1092 CarbonylContact O-C 3.6Å; I871-T1092 PolarHBondContact O-N 3.37Å; I871-N1093 PolarHBondContact O-N 3.48Å
872K31.3Very low29.4Very low174 Ų174129.3 Ų129.376%0.75771%0.713SS**  trans-124.1153.7-155.2-54.5166177.9172.20117.3E1091 T1092K872-E1091 PolarHBondContact N-O 3.4Å; K872-E1091 VanDerWaalsContact N-O 3.16Å; K872-T1092 PolarHBondContact O-N 3.28Å; K872-T1092 VanDerWaalsContact O-N 3.15Å
873G33.8Very low29.9Very low40 Ų40131.1 Ų131.141%0.41272%0.715SS.*  111.8127.1115.900000122.3
874T31.7Very low30.1Very low132 Ų132131.2 Ų131.281%0.8171%0.71SS**  trans64.8144.6143.452.70000119.6
875M27Very low30.4Very low163 Ų163130.6 Ų130.680%0.80371%0.707SS**  cis-162.3163.35.7-113.3-78.9165.800111.9
876S27.8Very low30.6Very low94 Ų94130.8 Ų130.866%0.65770%0.703SS**  trans64.4123.3151.855.20000124.9
877N26.3Very low30.8Very low148 Ų148131.8 Ų131.879%0.79170%0.704SS**  trans77.3116.9131.3-69.27.5000125.4
878S27.1Very low30.8Very low89 Ų89132.5 Ų132.562%0.62270%0.701SS**  83159.7126.967.40000122
879Y29.6Very low30.9Very low208 Ų208132 Ų13282%0.81671%0.705SS**  trans75.5100.9-175.3-55.2-80000114.1
880H30.3Very low30.6Very low153 Ų153134 Ų13471%0.70871%0.711SS**  57.411182.6-92.3-58.9000113.2
881D33.4Very low30.6Very low165 Ų165133.8 Ų133.888%0.88272%0.715SS**  -146.9136119.6-93.9-35.5000109.2
882N29.2Very low30.3Very low125 Ų125139.5 Ų139.567%0.66874%0.737SS**  trans-85.5151.8166.4-77.9-33.9000107.6
883D36.3Very low30.1Very low163 Ų163136.8 Ų136.887%0.87273%0.734SS**  trans-144.8144.1133.9-123.6-28.1000112.9
884N30Very low29.9Very low122 Ų122142 Ų14265%0.65275%0.751SS**  trans-88.4157.8-168.4-67-75.9000112.1
885N33.4Very low30Very low133 Ų133140.9 Ų140.971%0.71175%0.746SS**  158.5115.8126.9-84.1-51000109
886N31.4Very low29.9Very low132 Ų132140.5 Ų140.571%0.70675%0.747SS**  68.2134.495.9-75.9-23000112.4
887I30.3Very low30.2Very low128 Ų128144 Ų14466%0.65675%0.752SS**  cis-166.4141.715.5-124.5164.8000110.2
888I30.7Very low30.3Very low131 Ų131140.1 Ų140.167%0.67274%0.737SS**  trans68.6119.1137.3-70.2174.1000122.8
889N31.5Very low30.7Very low149 Ų149143.7 Ų143.780%0.79774%0.744SS**  trans97.9120.1136.8-713.9000125.5
890N26.1Very low30.9Very low150 Ų150140.6 Ų140.680%0.80274%0.741SS**  trans-73150.9152.3-60.3-53.2000112.2
891T31Very low31.1Very low132 Ų132139.7 Ų139.781%0.8174%0.738SS**  trans161.9117.3135.537.70000106.5
892K28.5Very low31.1Very low199 Ų199138.4 Ų138.487%0.86573%0.726SS**  60.6135.259.9-147.8-177.4-168.4-174.90112.4
893V26.9Very low31.1Very low116 Ų116139 Ų13970%0.70373%0.725SS**  trans110.4118159.1-177.10000118.2
894I29.2Very low30.8Very low149 Ų149138.5 Ų138.576%0.76472%0.717SS**  trans71.3134.3149.9-69.2166.4000122.5
895P33Very low30.7Very low110 Ų110136.8 Ų136.871%0.71472%0.715SS**  trans-101.8154.6157.238.8-30.6000113
896L25.9Very low30.6Very low155 Ų155138.6 Ų138.681%0.81272%0.719SS**  trans172.7165.6145.2-100.3167.1000112.2
897H33.6Very low30.3Very low166 Ų166139.3 Ų139.377%0.76972%0.721SS**  trans68.6150.3169.2-75.9-78.3000118.8
898S29.6Very low30.1Very low68 Ų68139.2 Ų139.248%0.47673%0.727SS.*  cis-172.3177.8-36.2410000107.3
899E33.9Very low29.9Very low163 Ų163137.4 Ų137.476%0.76273%0.726SS**  trans68.1137.3167.9-65.6137.3-118.400115.8
900D34.6Very low29.5Very low144 Ų144137.1 Ų137.177%0.7772%0.724SS**  cis-166-167.9-21.4-123.3-45.1000108
901E34.3Very low29.5Very low134 Ų134136.2 Ų136.263%0.62672%0.724SS**  cis-154.9166.46.7-131.6-167150.800110
902Q33.2Very low29.3Very low138 Ų138134.1 Ų134.165%0.64572%0.715SS**  trans51.5147.2148.4-62.1176.810.600121.5
903E29.7Very low29.3Very low136 Ų136131.2 Ų131.264%0.63671%0.708SS**  cis-166.9154.8-10.3-114.9-169.914600110.1
904Q30.5Very low29.3Very low154 Ų154132.7 Ų132.772%0.7271%0.712SS**  trans49.5155.9146.1-57.417728.100121.7
905S28.3Very low29.4Very low86 Ų86129.4 Ų129.460%0.60170%0.702SS**  cis-170.3167.6-32.166.50000108.2
906Q30.9Very low29.4Very low171 Ų171130.6 Ų130.680%0.79970%0.702SS**  trans67.6117.7164.6-59.4178.715.800117.1
907I25.3Very low29.6Very low146 Ų146129.3 Ų129.375%0.74970%0.696SS**  83.4132.963.5-68.6170.1000113.6
908T25.9Very low29.6Very low126 Ų126127.3 Ų127.377%0.77369%0.691SS**  trans79124.6165.340.90000122.9
909S25Very low29.7Very low93 Ų93130 Ų13065%0.6570%0.7SS**  trans72.7108.4133.564.80000122.1
910N24.6Very low29.5Very low143 Ų143128.3 Ų128.377%0.76570%0.696SS**  70.3140.9119.7-65.2-12.1000121.8
911T26Very low29.2Very low131 Ų131133.9 Ų133.980%0.80471%0.706SS**  trans67.2139.8147.942.70000118.2
912S25.8Very low29Very low88 Ų88133.9 Ų133.962%0.61571%0.709SS**  cis-178.9-164.3-13.845.50000108.3
913I28Very low29.1Very low138 Ų138136.3 Ų136.371%0.70872%0.717SS**  trans8897.4152.7-66.5155.2000116.9
914N27.9Very low29.1Very low148 Ų148135.1 Ų135.179%0.79172%0.716SS**  72.9154128.2-85.1-21.8000120.8
915S30.7Very low29.2Very low79 Ų79134.8 Ų134.855%0.55271%0.714SS**  cis-164.61681.838.50000113.3
916N33.9Very low29.5Very low136 Ų136139.9 Ų139.973%0.72773%0.728SS**  trans75.5147.1146.9-68.8-27.1000120.1
917N29.1Very low29.4Very low127 Ų127136.7 Ų136.768%0.67972%0.721SS**  cis-172.7171.6-34.8-128.5-35.9000109.7
918N34.2Very low29.9Very low124 Ų124137 Ų13766%0.66372%0.722SS**  trans94.695.8154.7-57.9-41000121.9
919N32.8Very low30.3Very low126 Ų126136.6 Ų136.667%0.67472%0.715SS**  73.7115.3118.5-51.4-27.9000120.5
920L27.7Very low30.8Very low127 Ų127139.3 Ų139.367%0.66572%0.717SS**  73.5125.861.9-94.5141.2000115.9I922L920-I922 HydrophobicContact CD2-CD1 3.83Å; L920-I922 HydrophobicContact CD2-CG1 3.98Å
921W29.4Very low31.3Very low260 Ų260140.8 Ų140.899%0.98572%0.717SS**  trans-152.4123.1130.7-105.619.1000110.7
922I30.2Very low31.5Very low135 Ų135141.8 Ų141.869%0.69272%0.717SS**  trans-125.7143.2171.8-65.2168.5000106.7L920L920-I922 HydrophobicContact CD2-CD1 3.83Å; L920-I922 HydrophobicContact CD2-CG1 3.98Å
923K34.3Very low31.7Very low188 Ų188140.7 Ų140.782%0.81772%0.72SS**  trans-157.2147.3151-71.4-156.3174.9-177.80109
924N31.3Very low31.9Very low112 Ų112141.5 Ų141.560%0.59972%0.724SS**  cis-159.4142.6-9.7-104.66.6000106.9
925H31.6Very low32.1Very low146 Ų146140.9 Ų140.968%0.67672%0.721SS**  57.614396-76.7-81.4000115.2
926E33.9Very low32.1Very low193 Ų193143.3 Ų143.390%0.90273%0.727SS**  -139.6164.752.2-73.7172.5159.600117.3
927T30Very low32.1Very low105 Ų105144 Ų14464%0.64473%0.726SS**  trans-128.5169.2-174.339.60000109.8
928I36.2Very low32.2Very low153 Ų153144.2 Ų144.279%0.78573%0.727SS**  trans155.3132.5156.7-88.7155.9000108.2
929N33.8Very low31.8Very low116 Ų116143 Ų14362%0.6273%0.729SS**  cis-158.8149.98.6-115.6-1.7000113.5
930H34.6Very low31.6Very low151 Ų151144 Ų14470%0.69973%0.733SS**  trans42.5145.7141.5-62.4-47.3000122.3
931K35Very low31.7Very low174 Ų174145.3 Ų145.376%0.75774%0.741SS**  cis-163.6137.628.4-136.5161.4-173.4-177.60113
932N30.7Very low31.6Very low151 Ų151140.9 Ų140.981%0.80773%0.731SS**  trans49.1124.6147.9-57.910.9000123.3
933G30.8Very low31.5Very low65 Ų65142.5 Ų142.567%0.6774%0.735SS**  trans142.198.813700000117.4
934I31.9Very low31.2Very low156 Ų156140.9 Ų140.980%0.873%0.731SS**  48122.7122.7-65.2167.3000116.9
935D31Very low31.1Very low135 Ų135144.8 Ų144.872%0.72274%0.738SS**  cis-162.9-178.75.2-102.3-11.6000110.4
936D32.7Very low30.8Very low129 Ų129143.6 Ų143.669%0.6975%0.745SS**  trans78.594154.1-64.3-10.6000123.7
937H32.9Very low30.5Very low151 Ų151146 Ų14670%0.69975%0.746SS**  83123.4116.9-77.5-61.1000124.5
938N30.2Very low30.4Very low132 Ų132147.7 Ų147.771%0.70675%0.75SS**  trans58.6106.8144.8-52.2-6.4000117.5
939S27.9Very low30.1Very low99 Ų99147.1 Ų147.169%0.69275%0.749SS**  cis71.1118.133.4101.60000115.8
940N26.9Very low29.9Very low145 Ų145149.7 Ų149.778%0.77576%0.755SS**  trans47.8128.6153.8-57-13.4000121.5
941L30.1Very low29.6Very low156 Ų156149.1 Ų149.182%0.81776%0.757SS**  -169121.5108.2-110.883000105.7
942E27.2Very low29.3Very low167 Ų167146.9 Ų146.978%0.7876%0.758SS**  62.9133.877.3-75.1-163.6128.700116.5
943H29.2Very low29.3Very low169 Ų169143.8 Ų143.878%0.78275%0.753SS**  trans-17141.4158.5-62.5-89.2000117
944Q27.2Very low29.2Very low154 Ų154147.1 Ų147.172%0.7276%0.756SS**  -179.2155109.9-102.9167.29.900117.6
945Y29.6Very low29.4Very low194 Ų194147 Ų14776%0.76175%0.751SS**  trans65.9123.9152.9-66.2-55.5000124.5
946C25.3Very low29.5Very low121 Ų121148.3 Ų148.382%0.81875%0.753SS**  trans-81.2140.5139.8-570000110.3
947R28Very low29.7Very low242 Ų242149.4 Ų149.491%0.91375%0.753SS**  trans-168.4159.7138-112.3173.9-177177.40.4112.4
948L27Very low29.8Very low142 Ų142149.5 Ų149.574%0.74375%0.754SS**  trans-65.8158.6178.4-56.490.1000110.3
949D30.9Very low30Very low141 Ų141148.8 Ų148.875%0.75475%0.746SS**  -16618063.9-113-49.5000115.5
950K28.7Very low30.3Very low170 Ų170152.2 Ų152.274%0.73975%0.751SS**  trans-80.8151.1-169.3-51.1158.3-177.11710114
951N29.5Very low30.4Very low139 Ų139150.7 Ų150.774%0.74375%0.749SS**  164.4120.3113.7-84.6-17.3000115.3
952T27.6Very low30.5Very low127 Ų127151.5 Ų151.578%0.77975%0.748SS**  trans52.7139.9136.457.40000124.8
953A30.9Very low30.7Very low86 Ų86152.6 Ų152.671%0.71175%0.753SS**  trans74.6140.7152.600000118.1
954D29.7Very low30.9Very low135 Ų135152.6 Ų152.672%0.72275%0.753SS**  cis-162.3167.3-11.6-115.6-41.8000111.4
955H35.4Very low31Very low153 Ų153150.9 Ų150.971%0.70876%0.758SS**  trans71.6117.6167.2-57-22.9000118.1
956H33.9Very low31Very low162 Ų162146.2 Ų146.275%0.7575%0.754SS**  69124.777.1-70.1-11.4000112.9
957H35.9Very low31.4Very low152 Ų152148.1 Ų148.170%0.70475%0.752SS**  cis-131.9152.229.3-71-46.2000113.6
958H35.1Very low31.7Very low153 Ų153141 Ų14171%0.70873%0.733SS**  37.4127.4103.3-62.817.7000114.3N1230H958-N1230 WeakPolarHBondContact O-CB 3Å; H958-N1230 PolarHBondContact O-OD1 3.4Å
959H34.7Very low32.2Very low117 Ų117138.3 Ų138.354%0.54273%0.725SS.*  -116.5169.757-82.7-25.2000118.3N1230H959-N1230 VanDerWaalsContact CB-C 3.41Å; H959-N1230 HydrophobicContact CB-CB 3.87Å; H959-N1230 VanDerWaalsContact CB-OXT 3.31Å; H959-N1230 WeakPolarHBondContact CB-OXT 3.26Å; H959-N1230 VanDerWaalsContact CD2-CG 3.45Å; H959-N1230 PolarHBondContact CD2-O 3.46Å; H959-N1230 VanDerWaalsContact CD2-O 3.3Å; H959-N1230 PolarHBondContact CE1-ND2 3.05Å; H959-N1230 PolarHBondContact CE1-OD1 3.23Å; H959-N1230 PolarHBondContact N-OXT 3.44Å; H959-N1230 PolarHBondContact ND1-OD1 3.24Å; H959-N1230 PolarHBondContact NE2-ND2 3.27Å; H959-N1230 VanDerWaalsContact NE2-ND2 3.14Å
960H32.9Very low32.5Very low171 Ų171135.6 Ų135.679%0.79271%0.714SS**  trans-57.7152.4152.9-83.9-75.4000114.7
961P30.3Very low33.1Very low113 Ų113132.6 Ų132.673%0.73470%0.702SS**  -133149.2112.236.5-29.2000115.1
962H32.4Very low33.5Very low173 Ų173132.4 Ų132.480%0.80170%0.697SS**  trans-0.2107.9165.8-68-81.7000119.6H964H962-H964 PolarHBondContact O-N 3.49Å
963H31.5Very low34Very low190 Ų190131.9 Ų131.988%0.8869%0.689SS**  trans-74.5104.7156.5-89.4-74000111.1
964H33.1Very low34.5Very low170 Ų170133 Ų13379%0.78768%0.682SS**  trans-84.3135.8152.8-92.3-71.9000109.8H962 S966H962-H964 PolarHBondContact O-N 3.49Å; H964-S966 PolarHBondContact O-N 3.41Å
965S28.1Very low34.9Very low118 Ų118131.3 Ų131.383%0.82567%0.673SS**  trans-72.4107.7-174.555.50000113
966S30.7Very low35.1Very low96 Ų96128 Ų12867%0.67166%0.66SS**  trans-123.875.2158.967.80000110.1H964 N968H964-S966 PolarHBondContact O-N 3.41Å; S966-N968 PolarHBondContact O-N 2.88Å
967M32.4Very low35.6Very low160 Ų160124.8 Ų124.879%0.78865%0.648SS**  trans-67.2127.2166.8-70.1-111.97200108.4
968N35.1Very low36.2Very low94 Ų94122.5 Ų122.550%0.50364%0.638SS.*  trans-79.7144.7-159.4-72.3-53000113.1S966 T970 E971S966-N968 PolarHBondContact O-N 2.88Å; N968-T970 WeakPolarHBondContact CB-OG1 3.42Å; N968-T970 PolarHBondContact O-N 2.71Å; N968-T970 VanDerWaalsContact O-N 3.12Å; N968-E971 PolarHBondContact O-N 2.68Å
969S37.4Very low36.5Very low85 Ų85118.3 Ų118.359%0.59462%0.62SS**Hα-helixtrans-62.1-14.7172.546.90000114L973S969-L973 WeakPolarHBondContact O-CB 3.46Å; S969-L973 WeakPolarHBondContact O-CD1 3.34Å; S969-L973 VanDerWaalsContact O-CG 3.27Å; S969-L973 WeakPolarHBondContact O-CG 3.43Å; S969-L973 PolarHBondContact O-N 3.41Å
970T37.7Very low36.9Very low83 Ų83119.1 Ų119.151%0.50962%0.622SS.*Hα-helixtrans-72.6-41.7176.533.70000113.5N968 L973 I974N968-T970 WeakPolarHBondContact CB-OG1 3.42Å; N968-T970 PolarHBondContact O-N 2.71Å; N968-T970 VanDerWaalsContact O-N 3.12Å; T970-L973 PolarHBondContact O-N 3.21Å; T970-L973 VanDerWaalsContact O-N 3.16Å; T970-I974 WeakPolarHBondContact O-CG1 3.42Å; T970-I974 PolarHBondContact O-N 3.21Å
971E40.7Very low37.4Very low107 Ų107117 Ų11750%0.561%0.611SS.*Hα-helixtrans-66.2-44.8177.7-72.7177.4149.100110.7N968 L973 I974 D975N968-E971 PolarHBondContact O-N 2.68Å; E971-L973 PolarHBondContact O-N 2.57Å; E971-I974 PolarHBondContact O-N 3.41Å; E971-I974 VanDerWaalsContact O-N 3.07Å; E971-D975 PolarHBondContact O-N 3.37Å
972Q37.9Very low38.3Very low136 Ų136116.3 Ų116.364%0.63660%0.596SS**Hα-helixtrans-59.1-31.5172.2-71.3-171.7-5.300112.9N976Q972-N976 VanDerWaalsContact O-CB 3.31Å; Q972-N976 WeakPolarHBondContact O-CB 3.45Å; Q972-N976 PolarHBondContact O-N 2.83Å; Q972-N976 VanDerWaalsContact O-N 3.11Å; Q972-N976 PolarHBondContact O-ND2 2.86Å
973L38.1Very low38.7Very low116 Ų116111 Ų11161%0.60758%0.578SS**Hα-helixtrans-73.5-37.3175-81.4168.5000112.5S969 T970 E971 L977S969-L973 WeakPolarHBondContact O-CB 3.46Å; S969-L973 WeakPolarHBondContact O-CD1 3.34Å; S969-L973 VanDerWaalsContact O-CG 3.27Å; S969-L973 WeakPolarHBondContact O-CG 3.43Å; S969-L973 PolarHBondContact O-N 3.41Å; T970-L973 PolarHBondContact O-N 3.21Å; T970-L973 VanDerWaalsContact O-N 3.16Å; E971-L973 PolarHBondContact O-N 2.57Å; L973-L977 WeakPolarHBondContact O-CB 3.34Å; L973-L977 PolarHBondContact O-N 3.43Å
974I41.4Very low39.5Very low109 Ų109103.3 Ų103.356%0.55955%0.546SS*.Hα-helixtrans-65-49.8176-68.1164.1000110T970 E971 N976 L977 E978T970-I974 WeakPolarHBondContact O-CG1 3.42Å; T970-I974 PolarHBondContact O-N 3.21Å; E971-I974 PolarHBondContact O-N 3.41Å; E971-I974 VanDerWaalsContact O-N 3.07Å; I974-N976 PolarHBondContact O-N 3.29Å; I974-L977 WeakPolarHBondContact O-CB 3.36Å; I974-L977 PolarHBondContact O-N 3.42Å; I974-E978 PolarHBondContact O-N 3.43Å
975D38Very low40.6Very low100 Ų10098.5 Ų98.554%0.53552%0.524SS..Hα-helixtrans-56.9-48.9176.2-76.9-14.7000111.4E971 L977 E978 I979E971-D975 PolarHBondContact O-N 3.37Å; D975-L977 VanDerWaalsContact C-N 3.28Å; D975-L977 PolarHBondContact O-N 3.06Å; D975-E978 PolarHBondContact O-N 3.31Å; D975-I979 WeakPolarHBondContact O-CB 3.43Å; D975-I979 WeakPolarHBondContact O-CD1 3.3Å; D975-I979 WeakPolarHBondContact O-CG1 3.29Å; D975-I979 PolarHBondContact O-N 2.72Å
976N39.5Very low41.6Very low83 Ų8396.1 Ų96.144%0.44450%0.501SS..Hα-helixtrans-60-37.9176.6-83-60.7000112Q972 I974 F980Q972-N976 VanDerWaalsContact O-CB 3.31Å; Q972-N976 WeakPolarHBondContact O-CB 3.45Å; Q972-N976 PolarHBondContact O-N 2.83Å; Q972-N976 VanDerWaalsContact O-N 3.11Å; Q972-N976 PolarHBondContact O-ND2 2.86Å; I974-N976 PolarHBondContact O-N 3.29Å; N976-F980 WeakPolarHBondContact O-CB 3.38Å; N976-F980 WeakPolarHBondContact O-CD2 3.2Å; N976-F980 PolarHBondContact O-N 3.05Å
977L43.9Very low42.5Very low94 Ų9496.1 Ų96.149%0.49249%0.494SS..Hα-helixtrans-66.2-41.8177.5-150.287.5000111.7L973 I974 D975 F980 K981L973-L977 WeakPolarHBondContact O-CB 3.34Å; L973-L977 PolarHBondContact O-N 3.43Å; I974-L977 WeakPolarHBondContact O-CB 3.36Å; I974-L977 PolarHBondContact O-N 3.42Å; D975-L977 VanDerWaalsContact C-N 3.28Å; D975-L977 PolarHBondContact O-N 3.06Å; L977-F980 PolarHBondContact O-N 3.32Å; L977-K981 WeakPolarHBondContact O-CG 3.47Å; L977-K981 PolarHBondContact O-N 2.85Å
978E48.6Very low43.4Very low105 Ų10591.8 Ų91.849%0.49147%0.472SS..Hα-helixtrans-71.1-37.6179.9-139.1-166-120.900112.2I974 D975 K981 K982I974-E978 PolarHBondContact O-N 3.43Å; D975-E978 PolarHBondContact O-N 3.31Å; E978-K981 PolarHBondContact O-N 3.46Å; E978-K982 PolarHBondContact O-N 3.34Å; E978-K982 IonicContact OE2-NZ 3.44Å; E978-K982 PolarHBondContact OE2-NZ 2.84Å
979I42Very low44Very low64 Ų6489.9 Ų89.933%0.32846%0.46SS..Hα-helixtrans-60.6-45.4171.2-67.4166.2000110.7D975 K982 S983D975-I979 WeakPolarHBondContact O-CB 3.43Å; D975-I979 WeakPolarHBondContact O-CD1 3.3Å; D975-I979 WeakPolarHBondContact O-CG1 3.29Å; D975-I979 PolarHBondContact O-N 2.72Å; I979-K982 PolarHBondContact O-N 3.49Å; I979-S983 WeakPolarHBondContact O-CB 3.47Å; I979-S983 PolarHBondContact O-N 3.49Å
980F42.3Very low44.2Very low134 Ų13488.2 Ų88.259%0.58844%0.442SS*.Hα-helixtrans-65.1-40.4177.5-99.3-82.3000112.5N976 L977 S983 S984N976-F980 WeakPolarHBondContact O-CB 3.38Å; N976-F980 WeakPolarHBondContact O-CD2 3.2Å; N976-F980 PolarHBondContact O-N 3.05Å; L977-F980 PolarHBondContact O-N 3.32Å; F980-S983 PolarHBondContact O-N 3.35Å; F980-S984 PolarHBondContact O-N 3.17Å
981K43.5Very low44.8Very low127 Ų12785.4 Ų85.455%0.55243%0.427SS*.Hα-helixtrans-58.8-53.4173.4-76.4178.6177.6-1770111.3L977 E978 S983 S984 Q985L977-K981 WeakPolarHBondContact O-CG 3.47Å; L977-K981 PolarHBondContact O-N 2.85Å; E978-K981 PolarHBondContact O-N 3.46Å; K981-S983 VanDerWaalsContact C-N 3.32Å; K981-S983 PolarHBondContact O-N 3.21Å; K981-S984 PolarHBondContact O-N 3.13Å; K981-S984 VanDerWaalsContact O-N 3.15Å; K981-Q985 VanDerWaalsContact O-CG 3.3Å; K981-Q985 WeakPolarHBondContact O-CG 3.43Å; K981-Q985 PolarHBondContact O-N 2.99Å; K981-Q985 VanDerWaalsContact O-N 3.11Å
982K49.6Very low45Very low99 Ų9982.4 Ų82.443%0.4341%0.414SS..Hα-helixtrans-60-38.8179.4-74169.8175.4161.10112.1E978 I979 Q985 I986E978-K982 PolarHBondContact O-N 3.34Å; E978-K982 IonicContact OE2-NZ 3.44Å; E978-K982 PolarHBondContact OE2-NZ 2.84Å; I979-K982 PolarHBondContact O-N 3.49Å; K982-Q985 PolarHBondContact O-N 3.23Å; K982-I986 WeakPolarHBondContact O-CG1 3.44Å; K982-I986 PolarHBondContact O-N 3.34Å
983S41.2Very low45.2Very low60 Ų6079 Ų7942%0.4240%0.399SS..Hα-helixtrans-62.5-44.2174.5-169.70000112.7I979 F980 K981 Q985 I986 D987I979-S983 WeakPolarHBondContact O-CB 3.47Å; I979-S983 PolarHBondContact O-N 3.49Å; F980-S983 PolarHBondContact O-N 3.35Å; K981-S983 VanDerWaalsContact C-N 3.32Å; K981-S983 PolarHBondContact O-N 3.21Å; S983-Q985 VanDerWaalsContact C-N 3.28Å; S983-Q985 PolarHBondContact O-N 3.13Å; S983-I986 PolarHBondContact O-N 3.03Å; S983-D987 PolarHBondContact O-N 2.95Å
984S49.4Very low45.6Very low29 Ų2980.2 Ų80.220%0.20340%0.4CS..Hα-helixtrans-65.6-32.8179.9-167.20000112.4F980 K981 Q988F980-S984 PolarHBondContact O-N 3.17Å; K981-S984 PolarHBondContact O-N 3.13Å; K981-S984 VanDerWaalsContact O-N 3.15Å; S984-Q988 WeakPolarHBondContact O-CB 3.34Å; S984-Q988 PolarHBondContact O-N 3.47Å
985Q55.1Low45.9Very low70 Ų7077 Ų7733%0.32739%0.39SS..Hα-helixtrans-69.7-40.8177.6-68.6172-27.400111.5K981 K982 S983 Q988 M989 I1115K981-Q985 VanDerWaalsContact O-CG 3.3Å; K981-Q985 WeakPolarHBondContact O-CG 3.43Å; K981-Q985 PolarHBondContact O-N 2.99Å; K981-Q985 VanDerWaalsContact O-N 3.11Å; K982-Q985 PolarHBondContact O-N 3.23Å; S983-Q985 VanDerWaalsContact C-N 3.28Å; S983-Q985 PolarHBondContact O-N 3.13Å; Q985-Q988 PolarHBondContact O-N 3.25Å; Q985-M989 WeakPolarHBondContact O-CG 3.4Å; Q985-M989 PolarHBondContact O-N 3.42Å; Q985-I1115 HydrophobicContact CB-CD1 3.65Å; Q985-I1115 VanDerWaalsContact CD-CD1 3.41Å; Q985-I1115 HydrophobicContact CG-CD1 3.54Å; Q985-I1115 HydrophobicContact CG-CG1 4.24Å; Q985-I1115 VanDerWaalsContact NE2-CG1 3.33Å
986I49.4Very low46.1Very low68 Ų6874.6 Ų74.635%0.34938%0.383SS..Hα-helixtrans-62.3-48.4173.2-66.1166.1000110.7K982 S983 Q988 M989 F990K982-I986 WeakPolarHBondContact O-CG1 3.44Å; K982-I986 PolarHBondContact O-N 3.34Å; S983-I986 PolarHBondContact O-N 3.03Å; I986-Q988 PolarHBondContact O-N 2.85Å; I986-M989 PolarHBondContact O-N 3.24Å; I986-F990 WeakPolarHBondContact O-CB 3.4Å; I986-F990 PolarHBondContact O-N 3.42Å
987D48.5Very low46Very low96 Ų9674.6 Ų74.651%0.51339%0.386SS..Hα-helixtrans-57.3-37.8177.1-79.7-39.5000111.9S983 A991S983-D987 PolarHBondContact O-N 2.95Å; D987-A991 WeakPolarHBondContact O-CB 3.43Å; D987-A991 PolarHBondContact O-N 3.38Å
988Q51.5Low46Very low69 Ų6976.3 Ų76.332%0.32239%0.394SS..Hα-helixtrans-68.6-50.9176.3-176.1177-17.700112.3S984 Q985 I986 F990 A991 E992S984-Q988 WeakPolarHBondContact O-CB 3.34Å; S984-Q988 PolarHBondContact O-N 3.47Å; Q985-Q988 PolarHBondContact O-N 3.25Å; I986-Q988 PolarHBondContact O-N 2.85Å; Q988-F990 VanDerWaalsContact C-N 3.27Å; Q988-F990 PolarHBondContact O-N 2.99Å; Q988-A991 PolarHBondContact O-N 3.36Å; Q988-A991 VanDerWaalsContact O-N 3.08Å; Q988-E992 WeakPolarHBondContact CG-OE1 3.25Å; Q988-E992 PolarHBondContact NE2-OE1 2.9Å; Q988-E992 PolarHBondContact O-N 3.46Å
989M48.3Very low45.7Very low53 Ų5376.3 Ų76.326%0.26140%0.397SS..Hα-helixtrans-56.3-42.1176.8-73.11757000111.9T697 Q985 I986 A991 E992 L993T697-M989 HydrophobicContact CG2-CE 4.42Å; Q985-M989 WeakPolarHBondContact O-CG 3.4Å; Q985-M989 PolarHBondContact O-N 3.42Å; I986-M989 PolarHBondContact O-N 3.24Å; M989-A991 VanDerWaalsContact C-N 3.28Å; M989-A991 PolarHBondContact O-N 3.21Å; M989-E992 PolarHBondContact O-N 3.35Å; M989-L993 PolarHBondContact O-N 3.4Å
990F42.8Very low45.7Very low50 Ų5080 Ų8022%0.21942%0.417CS..Hα-helixtrans-64.1-36.1178.7-130-77.2000112.4V645 S646 E649 I986 Q988 K994V645-F990 HydrophobicContact CG1-CE2 4.49Å; V645-F990 HydrophobicContact CG1-CZ 4.37Å; S646-F990 WeakPolarHBondContact OG-CE1 3.32Å; E649-F990 VanDerWaalsContact CD-CE2 3.41Å; E649-F990 WeakPolarHBondContact OE1-CE2 3.36Å; E649-F990 WeakPolarHBondContact OE2-CE2 3.33Å; E649-F990 WeakPolarHBondContact OE2-CZ 3.34Å; I986-F990 WeakPolarHBondContact O-CB 3.4Å; I986-F990 PolarHBondContact O-N 3.42Å; Q988-F990 VanDerWaalsContact C-N 3.27Å; Q988-F990 PolarHBondContact O-N 2.99Å; F990-K994 VanDerWaalsContact O-CB 3.32Å; F990-K994 WeakPolarHBondContact O-CB 3.22Å; F990-K994 PolarHBondContact O-N 3.07Å
991A48.7Very low45.4Very low24 Ų2478.6 Ų78.620%0.19842%0.416CS..Hα-helixtrans-76.3-32.6178.900000112.9W211 D987 Q988 M989 K994 A995W211-A991 HydrophobicContact CH2-CB 3.34Å; W211-A991 HydrophobicContact CZ2-CB 3.28Å; W211-A991 HydrophobicContact CZ3-CB 4.4Å; D987-A991 WeakPolarHBondContact O-CB 3.43Å; D987-A991 PolarHBondContact O-N 3.38Å; Q988-A991 PolarHBondContact O-N 3.36Å; Q988-A991 VanDerWaalsContact O-N 3.08Å; M989-A991 VanDerWaalsContact C-N 3.28Å; M989-A991 PolarHBondContact O-N 3.21Å; A991-K994 PolarHBondContact O-N 3.29Å; A991-A995 PolarHBondContact O-N 2.7Å
992E45.7Very low44.7Very low45 Ų4581.6 Ų81.621%0.2143%0.429CS..Hα-helixtrans-66.6-44.7170.5-71.9172.8-166.500111.4Q988 M989 K994 A995 A996 V1112Q988-E992 WeakPolarHBondContact CG-OE1 3.25Å; Q988-E992 PolarHBondContact NE2-OE1 2.9Å; Q988-E992 PolarHBondContact O-N 3.46Å; M989-E992 PolarHBondContact O-N 3.35Å; E992-K994 VanDerWaalsContact C-N 3.27Å; E992-K994 PolarHBondContact O-N 2.76Å; E992-A995 WeakPolarHBondContact O-CB 3.46Å; E992-A995 PolarHBondContact O-N 3.42Å; E992-A996 PolarHBondContact O-N 3.43Å; E992-V1112 WeakPolarHBondContact OE2-CG1 3.23Å
993L42.3Very low43.8Very low64 Ų6483 Ų8334%0.33545%0.448SS..Hα-helixtrans-57.6-39.5170.9-81.2166000112.4M989 A995 A996 T997M989-L993 PolarHBondContact O-N 3.4Å; L993-A995 VanDerWaalsContact C-N 3.32Å; L993-A996 PolarHBondContact O-N 3.24Å; L993-T997 WeakPolarHBondContact O-CB 3.38Å; L993-T997 WeakPolarHBondContact O-CG2 3.32Å; L993-T997 PolarHBondContact O-N 2.92Å; L993-T997 PolarHBondContact O-OG1 3.24Å
994K46.4Very low43Very low142 Ų14288.8 Ų88.862%0.61747%0.471SS*.Hα-helixtrans-71.1-25.6176.4-164.1175-174.4176.90113.1F990 A991 E992 T997 I998F990-K994 VanDerWaalsContact O-CB 3.32Å; F990-K994 WeakPolarHBondContact O-CB 3.22Å; F990-K994 PolarHBondContact O-N 3.07Å; A991-K994 PolarHBondContact O-N 3.29Å; E992-K994 VanDerWaalsContact C-N 3.27Å; E992-K994 PolarHBondContact O-N 2.76Å; K994-T997 WeakPolarHBondContact CA-OG1 3.34Å; K994-T997 PolarHBondContact O-OG1 3Å; K994-I998 VanDerWaalsContact O-CD1 3.3Å; K994-I998 WeakPolarHBondContact O-CD1 3.4Å; K994-I998 WeakPolarHBondContact O-CG1 3.21Å
995A46.7Very low42.1Very low42 Ų4294.1 Ų94.135%0.34750%0.497SS..Hα-helixtrans-76.5-46.3170.600000111.3A991 E992 L993 T997 I998A991-A995 PolarHBondContact O-N 2.7Å; E992-A995 WeakPolarHBondContact O-CB 3.46Å; E992-A995 PolarHBondContact O-N 3.42Å; L993-A995 VanDerWaalsContact C-N 3.32Å; A995-T997 PolarHBondContact O-N 3.22Å; A995-I998 PolarHBondContact O-N 3.21Å; A995-I998 VanDerWaalsContact O-N 3.15Å
996A42.1Very low40.9Very low48 Ų48101.5 Ų101.540%0.39752%0.522SS..Hα-helixtrans-59.2-45.4178.900000112.4E992 L993 I998 I999 D1000E992-A996 PolarHBondContact O-N 3.43Å; L993-A996 PolarHBondContact O-N 3.24Å; A996-I998 PolarHBondContact O-N 3.19Å; A996-I998 VanDerWaalsContact O-N 3.12Å; A996-I999 PolarHBondContact O-N 3.39Å; A996-D1000 PolarHBondContact O-N 3.31Å
997T39.1Very low39.9Very low83 Ų83103.6 Ų103.651%0.50954%0.541SS..Hα-helixtrans-64-16.7178.146.60000114.6L993 K994 A995 N1001L993-T997 WeakPolarHBondContact O-CB 3.38Å; L993-T997 WeakPolarHBondContact O-CG2 3.32Å; L993-T997 PolarHBondContact O-N 2.92Å; L993-T997 PolarHBondContact O-OG1 3.24Å; K994-T997 WeakPolarHBondContact CA-OG1 3.34Å; K994-T997 PolarHBondContact O-OG1 3Å; A995-T997 PolarHBondContact O-N 3.22Å; T997-N1001 PolarHBondContact O-ND2 3.08Å
998I43.1Very low38.7Very low130 Ų130106.4 Ų106.467%0.66756%0.555SS**Hα-helixtrans-83.7-23.5172.8-68.1170.6000111.7K994 A995 A996K994-I998 VanDerWaalsContact O-CD1 3.3Å; K994-I998 WeakPolarHBondContact O-CD1 3.4Å; K994-I998 WeakPolarHBondContact O-CG1 3.21Å; A995-I998 PolarHBondContact O-N 3.21Å; A995-I998 VanDerWaalsContact O-N 3.15Å; A996-I998 PolarHBondContact O-N 3.19Å; A996-I998 VanDerWaalsContact O-N 3.12Å
999I41.9Very low37.7Very low105 Ų105108.5 Ų108.554%0.53857%0.574SS.*Hα-helixtrans-82.6-40.8-176-64.9172.2000111.5A996 N1001A996-I999 PolarHBondContact O-N 3.39Å; I999-N1001 VanDerWaalsContact C-N 3.27Å; I999-N1001 PolarHBondContact O-N 3.02Å
1000D42.4Very low36.5Very low142 Ų142115.4 Ų115.476%0.75960%0.603SS**SBendtrans-74.6-4.6-174.4-75.4-19000115.7A996 K1002A996-D1000 PolarHBondContact O-N 3.31Å; D1000-K1002 PolarHBondContact O-N 3.03Å
1001N35Very low35.8Very low104 Ų104120.2 Ų120.256%0.55664%0.636SS**  trans-100.144.3-176.9-71.2-73.1000113.8T997 I999T997-N1001 PolarHBondContact O-ND2 3.08Å; I999-N1001 VanDerWaalsContact C-N 3.27Å; I999-N1001 PolarHBondContact O-N 3.02Å
1002K29.3Very low34.7Very low191 Ų191128.5 Ų128.583%0.8367%0.667SS**  trans-132.6107.6169.1-91.1-171.8175.5179.20113.4D1000D1000-K1002 PolarHBondContact O-N 3.03Å
1003P31.9Very low33.9Very low127 Ų127131.7 Ų131.783%0.82570%0.695SS**  trans-72.7140.5170.629.4-33.2000112N1005P1003-N1005 PolarHBondContact O-N 2.56Å
1004M22.8Very low33.2Very low183 Ų183136 Ų13690%0.90172%0.716SS**  trans-77113.6166.5-91.3-165.7166.800110.9
1005N31.9Very low32.2Very low141 Ų141136.9 Ų136.975%0.75472%0.723SS**  trans179110.5142.5-92.9-34.9000108.3P1003P1003-N1005 PolarHBondContact O-N 2.56Å
1006R28.8Very low31.4Very low225 Ų225143 Ų14385%0.84975%0.748SS**  75116.187.2-78.8-170.2177.2-169.52.6115.2
1007C28.7Very low30.6Very low112 Ų112145 Ų14576%0.75776%0.758SS**  trans68.896.8156.3-57.30000118.4
1008I23.6Very low30.1Very low155 Ų155148.7 Ų148.780%0.79577%0.774SS**  52.9123.474.7-55.3176.9000111.7
1009P29.3Very low29.5Very low112 Ų112149.5 Ų149.573%0.72777%0.773SS**  cis-145.6153.246.228.2-3.6000121.1
1010K24.3Very low28.9Very low199 Ų199151.8 Ų151.887%0.86579%0.786SS**  trans23.3110.8138.4-57.6175.9178.91770121.1
1011V27.4Very low28.2Very low151 Ų151151.8 Ų151.892%0.91578%0.782SS**  trans-141.2157.2137.4-1780000109.6
1012K25.2Very low28Very low198 Ų198153 Ų15386%0.86179%0.793SS**  trans-91.9141.3-167.9-49.8162.7178.4175.70113.8
1013S29.1Very low28Very low112 Ų112148.2 Ų148.278%0.78378%0.783SS**  trans168.2133.1155.946.80000108.7
1014I27.5Very low27.9Very low154 Ų154149.2 Ų149.279%0.7978%0.78SS**  cis-140.7137.53-88.3139000107.7
1015E26.4Very low28.2Very low161 Ų161147.1 Ų147.175%0.75277%0.772SS**  trans-76.7133.7164.5-65.1173.3138.500108.9
1016I28.9Very low28.2Very low171 Ų171146.2 Ų146.288%0.87777%0.767SS**  trans-86.8107.4154.3-63.9-179.6000105.5
1017C26.1Very low28.3Very low90 Ų90141.6 Ų141.661%0.60876%0.759SS**  trans-64.9140.6-175.7-57.40000111.7
1018D29.2Very low28.5Very low159 Ų159140.7 Ų140.785%0.8575%0.754SS**  trans-143.766.9134.9-107.3-24.8000108.9N1020D1018-N1020 PolarHBondContact O-N 3.46Å
1019K29.2Very low28.9Very low147 Ų147140.2 Ų140.264%0.63975%0.753SS**  trans-79.3100.8158.3-82.8-172.4169.4-158.60107.9E1021K1019-E1021 HydrophobicContact CB-CG 4.42Å; K1019-E1021 HydrophobicContact CD-CG 4.23Å; K1019-E1021 WeakPolarHBondContact CD-OE1 3.29Å; K1019-E1021 WeakPolarHBondContact CE-OE1 3.41Å; K1019-E1021 IonicContact NZ-OE1 3.69Å; K1019-E1021 PolarHBondContact NZ-OE1 2.83Å
1020N29.5Very low29.1Very low153 Ų153140.3 Ų140.382%0.81876%0.757SS**  trans-96.888.8145.3-87.6-46.3000107.3D1018D1018-N1020 PolarHBondContact O-N 3.46Å
1021E29.1Very low29.2Very low143 Ų143136.1 Ų136.167%0.66875%0.753SS**  trans-64134.8173-81.8174.616700110K1019K1019-E1021 HydrophobicContact CB-CG 4.42Å; K1019-E1021 HydrophobicContact CD-CG 4.23Å; K1019-E1021 WeakPolarHBondContact CD-OE1 3.29Å; K1019-E1021 WeakPolarHBondContact CE-OE1 3.41Å; K1019-E1021 IonicContact NZ-OE1 3.69Å; K1019-E1021 PolarHBondContact NZ-OE1 2.83Å
1022V29.3Very low29.7Very low130 Ų130134.2 Ų134.279%0.78874%0.743SS**  trans-74.3134169.2165.90000108.6
1023S29.3Very low29.8Very low90 Ų90129 Ų12963%0.62973%0.732SS**  trans90.4128.7148.670.20000121.9
1024I30.4Very low29.8Very low147 Ų147131 Ų13175%0.75473%0.732SS**  trans74.295.6133.5-69.5168.2000113.7
1025L29.8Very low29.8Very low140 Ų140127.8 Ų127.873%0.73372%0.723SS**  -170.1158.453.3-85.2151.3000111.6
1026N31.6Very low29.9Very low122 Ų122126.8 Ų126.865%0.65272%0.723SS**  trans47.8137.9141.8-57.915.8000119.9
1027D30.5Very low29.8Very low127 Ų127124.9 Ų124.968%0.67972%0.719SS**  cis-167.2170.7-4.2-106.2-37.2000107.6
1028S33.3Very low30.1Very low94 Ų94125.6 Ų125.666%0.65773%0.725SS**  trans69.498.6156.3-58.60000120.2
1029N31.9Very low30Very low144 Ų144125.4 Ų125.477%0.7772%0.724SS**  85130.8116.6-60.4-23.2000122.7
1030S33.1Very low30.1Very low115 Ų115125.7 Ų125.780%0.80473%0.731SS**  trans68.8105141.653.70000120.5
1031S27.5Very low30.2Very low111 Ų111126.6 Ų126.678%0.77673%0.73SS**  trans-42.6176.3136.1-240000113.7
1032P36Very low30.1Very low111 Ų111126.5 Ų126.572%0.72174%0.735SS**  cis-142.6-1727.831.3-6.1000116.1
1033S28.7Very low30.3Very low89 Ų89127.3 Ų127.362%0.62273%0.733SS**  trans73.5127.8134.557.90000123.4
1034I29.4Very low30.4Very low153 Ų153129 Ų12979%0.78574%0.735SS**  81.398.8129.1-65.9169.1000119.1
1035S27.4Very low30.6Very low87 Ų87127 Ų12761%0.60873%0.734SS**  59.2144.4128.785.30000123.9
1036N28.6Very low30.6Very low139 Ų139126.8 Ų126.874%0.74373%0.733SS**  trans88.8112.2142.3-66.7-13.9000121.4
1037V26.2Very low30.8Very low131 Ų131129.2 Ų129.279%0.79474%0.738SS**  51.5106.4123.1-171.90000119.5
1038S32.2Very low30.9Very low106 Ų106130.1 Ų130.174%0.74174%0.743SS**  177.8116.8127.749.40000108.4
1039N27.6Very low30.9Very low155 Ų155129.8 Ų129.883%0.82974%0.741SS**  44.3111.279.7-88.21.5000115.5
1040I31.1Very low30.9Very low153 Ų153129.5 Ų129.579%0.78574%0.739SS**  trans-179.7102.8145.1-93.9150.2000104.9
1041Q32.3Very low30.7Very low171 Ų171129.6 Ų129.680%0.79974%0.735SS**  58.6106.998.8-72.3179.8-19.600113.4
1042N26.9Very low30.9Very low141 Ų141131.2 Ų131.275%0.75473%0.734SS**  97.5167.175.7-148.210.5000110.4
1043I32.1Very low30.7Very low147 Ų147133.9 Ų133.975%0.75474%0.736SS**  trans80.7131178.3-50.9168.2000114.2
1044N33Very low30.9Very low127 Ų127135.9 Ų135.968%0.67974%0.74SS**  cis-170168.4-26.1-104.8-20.9000108
1045S33.2Very low31.2Very low104 Ų104134.8 Ų134.873%0.72774%0.736SS**  trans77.5145150.9-62.40000119.8
1046N30.6Very low31.5Very low135 Ų135137.1 Ų137.172%0.72274%0.742SS**  cis-172.2170.3-31.5-137.7-27.1000109.6
1047K34.9Very low31.7Very low174 Ų174138.2 Ų138.276%0.75774%0.742SS**  trans78110.9166-66166.4-177-1780115.3
1048N32.3Very low32.1Very low145 Ų145138 Ų13878%0.77574%0.736SS**  83.9138.869.1-73.515.4000110.6
1049S33.3Very low32.2Very low88 Ų88139.2 Ų139.262%0.61573%0.733SS**  cis-173.7160.812.229.20000112.1
1050N33.1Very low32.4Very low137 Ų137136.9 Ų136.973%0.73372%0.72SS**  trans71.5120.9154.7-58.8-2000117.2
1051T27.8Very low32.6Very low117 Ų117137.2 Ų137.272%0.71872%0.716SS**  cis90.61504362.40000114.8
1052I32.6Very low32.6Very low145 Ų145136.8 Ų136.874%0.74471%0.714SS**  trans82.9107.2176.8-50.2163.6000111.1
1053E31Very low33Very low167 Ų167135.5 Ų135.578%0.7871%0.711SS**  82.2132.557.2-70.2180161.300114.4
1054D34.4Very low33.2Very low132 Ų132134 Ų13471%0.70671%0.705SS**  trans76.4126.2152-67.57.1000124.2
1055N35.1Very low33.2Very low129 Ų129133.8 Ų133.869%0.6970%0.703SS**  trans81.8123.9137-59.4-13000123.5
1056D33.9Very low33.1Very low136 Ų136133.8 Ų133.873%0.72770%0.699SS**  trans71.7122.3130.4-57-22.4000124.2
1057E33Very low33.2Very low163 Ų163132.7 Ų132.776%0.76269%0.693SS**  trans48.2129.1133.9-78.6-156.5131.400124.6
1058L33.5Very low33.2Very low125 Ų125130.8 Ų130.865%0.65469%0.687SS**  trans76.6121.7133-66.5170.9000121.8
1059I34.4Very low33.3Very low132 Ų132131.4 Ų131.468%0.67768%0.683SS**  96.3120.3125.4-78.3173.3000120.8
1060D32.7Very low33.2Very low106 Ų106132.2 Ų132.257%0.56768%0.684SS**  trans70.7125144.3-82.1-18.5000124.6
1061K35Very low33Very low161 Ų161131.1 Ų131.170%0.768%0.683SS**  63.9155.4125.1-61.9168-172.2144.10117.2
1062Q31.8Very low33.1Very low162 Ų162130.9 Ų130.976%0.75768%0.681SS**  cis-163.3-17411.5-140.9167-19.700109.1
1063V35.4Very low33.2Very low113 Ų113133 Ų13369%0.68569%0.685SS**  trans72.1131.7147.5159.40000115.9
1064D35.4Very low33.1Very low116 Ų116134.7 Ų134.762%0.6269%0.69SS**  cis-166.6162.50.9-120.94.1000113.1
1065N33.7Very low33.2Very low122 Ų122133.9 Ų133.965%0.65269%0.692SS**  trans37147.7134.2-62.8-32.1000122.1
1066T32.2Very low33Very low105 Ų105134.5 Ų134.564%0.64469%0.694SS**  cis-173.2175.3-1.830.30000110.1
1067N32.7Very low32.8Very low112 Ų112132.9 Ų132.960%0.59969%0.69SS**  trans86.6115.6140-78.1-41.7000122.2
1068Q34.1Very low32.7Very low134 Ų134130.6 Ų130.663%0.62668%0.682SS**  72.6151.2128.6-65177.448.300117.6
1069K33.7Very low32.7Very low157 Ų157131.8 Ų131.868%0.68369%0.685SS**  cis-158.6137.29.3-132.8163.7-180147.60111.8
1070T31.2Very low32.6Very low106 Ų106133.7 Ų133.765%0.6569%0.688SS**  trans50.5127.3134.958.40000123.8
1071T29.6Very low32.4Very low113 Ų113133.1 Ų133.169%0.69369%0.692SS**  89.6129.6122.354.70000124.3
1072T29.6Very low32.3Very low113 Ų113131 Ų13169%0.69369%0.689SS**  102.2129.5126.941.50000123.5
1073K34.6Very low32.3Very low190 Ų190130.6 Ų130.683%0.82669%0.687SS**  trans8694.9141.5-72.8163.9-176.5178.70120.7
1074K29.8Very low32Very low202 Ų202133.9 Ų133.988%0.87869%0.693SS**  -44.1153.6127.4-87.7179175.9178.30110.6
1075P35.8Very low31.6Very low115 Ų115135.6 Ų135.675%0.74770%0.701SS**  -138.4-151.554.535.3-10.8000112
1076L31.7Very low31.6Very low141 Ų141138 Ų13874%0.73871%0.709SS**  cis-150.8133.36.4-159.5125.2000114.1
1077T28.9Very low31.7Very low103 Ų103137.7 Ų137.763%0.63271%0.708SS**  trans-26151.9158.555.70000120.8
1078N31.6Very low31.4Very low114 Ų114139.1 Ų139.161%0.6172%0.715SS**  171.3122108.8-91.6-21.5000112.8
1079Q32.2Very low31Very low151 Ų151138.1 Ų138.171%0.70671%0.714SS**  79.8139.4103.1-70.9-179.719.700114.2
1080K33.2Very low30.8Very low171 Ų171135.5 Ų135.574%0.74371%0.706SS**  cis-140.7136.926.1-106.2141.1179.9-172.90109.4
1081S28.8Very low30.6Very low94 Ų94136.8 Ų136.866%0.65771%0.705SS**  66.2126.587.294.60000111.9
1082N32.6Very low30.5Very low118 Ų118134.6 Ų134.663%0.63169%0.692SS**  cis-150.9171.147.2-81.512.3000109.8
1083E31.5Very low30.5Very low152 Ų152135 Ų13571%0.7169%0.69SS**  cis-153.6149.4-0.8-124145.2171.800110.9
1084F30.2Very low30.3Very low183 Ų183133.5 Ų133.580%0.80369%0.685SS**  trans-0.4120.6159.5-70-101.5000119.2
1085N27Very low30.1Very low151 Ų151131.9 Ų131.981%0.80769%0.685SS**  51.196.774.5-77.7-20000115.1
1086H32Very low29.7Very low174 Ų174133.1 Ų133.181%0.80669%0.686SS**  trans-129.7122149-129.2-73000109.1
1087P35.1Very low29.4Very low98 Ų98135.4 Ų135.464%0.63669%0.69SS**  trans-82.7-170.316737.3-34.2000109.7
1088L26Very low29.2Very low141 Ų141136.7 Ų136.774%0.73870%0.701SS**  trans77.7152.9-173.2-47.6151.7000110.4
1089N26.9Very low28.9Very low114 Ų114136 Ų13661%0.6171%0.705SS**  cis-161149.610.3-123.3-1000110.4
1090I27.9Very low28.6Very low101 Ų101136.2 Ų136.252%0.51871%0.71SS.*  69140.6127-67.2175.1000123.1I871I871-I1090 VanDerWaalsContact CG2-O 3.25Å; I871-I1090 WeakPolarHBondContact CG2-O 3.44Å
1091E27.8Very low28.3Very low133 Ų133134.7 Ų134.762%0.62171%0.711SS**  trans52.7109.8159-73.1148-152.500120.5I871 K872I871-E1091 CarbonylContact C-O 3.51Å; I871-E1091 WeakPolarHBondContact CA-O 3.5Å; I871-E1091 WeakPolarHBondContact CB-O 3.25Å; I871-E1091 VanDerWaalsContact CG2-O 3.29Å; I871-E1091 WeakPolarHBondContact CG2-O 3.2Å; I871-E1091 PolarHBondContact N-O 2.86Å; I871-E1091 VanDerWaalsContact N-O 3.08Å; K872-E1091 PolarHBondContact N-O 3.4Å; K872-E1091 VanDerWaalsContact N-O 3.16Å
1092T26.5Very low28.3Very low67 Ų67140.1 Ų140.141%0.41172%0.722SS.*  58.89371.767.20000115.8I871 K872I871-T1092 CarbonylContact O-C 3.6Å; I871-T1092 PolarHBondContact O-N 3.37Å; K872-T1092 PolarHBondContact O-N 3.28Å; K872-T1092 VanDerWaalsContact O-N 3.15Å
1093N30.3Very low27.9Very low123 Ų123138.6 Ų138.666%0.65872%0.721SS**  -170.6140.6121.4-92.4-34.8000114.2I871I871-N1093 PolarHBondContact O-N 3.48Å
1094H30.6Very low27.5Very low158 Ų158137.4 Ų137.473%0.73172%0.72SS**  trans36.6101.2166.2-52.7-60.1000118
1095L25Very low27.3Very low168 Ų168135.5 Ų135.588%0.8871%0.713SS**  cis53.467.941-99.7170.4000113.8
1096N28.4Very low27.1Very low141 Ų141136 Ų13675%0.75471%0.709SS**  trans-157.4110.2152.1-109.3-39.4000114
1097K25.5Very low26.8Very low189 Ų189133.9 Ų133.982%0.82270%0.702SS**  trans37.881155.2-63-179.2179.61770119.6
1098C24.7Very low26.3Very low130 Ų130136.7 Ų136.788%0.87871%0.707SS**  trans-118.971.4145-92.40000110.5L1100C1098-L1100 PolarHBondContact O-N 2.98Å
1099S25Very low26.4Very low98 Ų98135.7 Ų135.769%0.68570%0.702SS**  trans-65.4101.6159.6-52.50000107.8N1101S1099-N1101 PolarHBondContact O-N 3.05Å
1100L26Very low26.4Very low156 Ų156137.7 Ų137.782%0.81771%0.707SS**  trans-70.779.5162.4-102.2162.4000107.8C1098 K1102C1098-L1100 PolarHBondContact O-N 2.98Å; L1100-K1102 PolarHBondContact O-N 3.37Å
1101N26.2Very low26.4Very low140 Ų140135.5 Ų135.575%0.74970%0.701SS**  trans-64.683.1166.2-85.217.4000109S1099S1099-N1101 PolarHBondContact O-N 3.05Å
1102K29.4Very low26.3Very low207 Ų207132.7 Ų132.790%0.969%0.693SS**  trans-133.441.6143.5-70.7-161.2174.9-1730109.1L1100L1100-K1102 PolarHBondContact O-N 3.37Å
1103S24.1Very low26.2Very low86 Ų86138.9 Ų138.960%0.60171%0.71SS**  trans-95.9110.1176.7-57.30000109.2
1104N23.7Very low26Very low128 Ų128137.3 Ų137.368%0.68470%0.701SS**  trans69.1155.9156.5-57.2-22.6000115.4
1105Q24.3Very low25.8Very low143 Ų143132.8 Ų132.867%0.66868%0.682SS**  44.1123.4104.1-47.7159.5-10.200110.5
1106F24.2Very low25.9Very low162 Ų162133.2 Ų133.271%0.71168%0.679SS**  -152.2133.457.7-85.7-93.4000107.3
1107L24.5Very low25.7Very low129 Ų129130.8 Ų130.868%0.67567%0.666SS**  60.9124.292.1-89.8158.4000113.1
1108H25.3Very low25.7Very low157 Ų157128.2 Ų128.273%0.72767%0.667SS**  trans72.2131.1176.8-53.6-69.7000115.5
1109N28.3Very low25.8Very low120 Ų120127.9 Ų127.964%0.64266%0.655SS**  cis-144.9118.5-4.2-93.9-16.7000110.1S1111N1109-S1111 PolarHBondContact O-N 3.17Å
1110E26.9Very low25.9Very low155 Ų155128.6 Ų128.672%0.72466%0.659SS**  trans-73.183.2135.8-79.9-175.515000105.7V1112E1110-V1112 PolarHBondContact O-N 2.82Å
1111S27.3Very low25.9Very low56 Ų56127.3 Ų127.339%0.39265%0.653SS.*  trans-70.7116.516348.80000105.3N1109 Y1113N1109-S1111 PolarHBondContact O-N 3.17Å; S1111-Y1113 PolarHBondContact O-N 2.79Å
1112V25.7Very low26.1Very low74 Ų74128.7 Ų128.745%0.44866%0.66SS.*  cis29.155.647.4-169.30000108.4E992 E1110 L1114E992-V1112 WeakPolarHBondContact OE2-CG1 3.23Å; E1110-V1112 PolarHBondContact O-N 2.82Å; V1112-L1114 HydrophobicContact CG1-CD1 4.33Å; V1112-L1114 HydrophobicContact CG1-CG 4.08Å; V1112-L1114 PolarHBondContact O-N 3.18Å
1113Y25.5Very low25.9Very low196 Ų196127 Ų12777%0.76966%0.655SS**  trans-66.581.2154.1-100.2-76.9000105.5S1111S1111-Y1113 PolarHBondContact O-N 2.79Å
1114L26.3Very low26.4Very low90 Ų90132.4 Ų132.447%0.47167%0.668SS.*  trans-44.5139.7145.8-86.3156.4000107.3V1112 E1116V1112-L1114 HydrophobicContact CG1-CD1 4.33Å; V1112-L1114 HydrophobicContact CG1-CG 4.08Å; V1112-L1114 PolarHBondContact O-N 3.18Å; L1114-E1116 PolarHBondContact O-N 2.8Å
1115I25.6Very low26.7Very low64 Ų64132.5 Ų132.533%0.32867%0.674SS.*  trans-72.881.5169.2-55.691.2000105.8Q985 N1117Q985-I1115 HydrophobicContact CB-CD1 3.65Å; Q985-I1115 VanDerWaalsContact CD-CD1 3.41Å; Q985-I1115 HydrophobicContact CG-CD1 3.54Å; Q985-I1115 HydrophobicContact CG-CG1 4.24Å; Q985-I1115 VanDerWaalsContact NE2-CG1 3.33Å; I1115-N1117 VanDerWaalsContact C-N 3.3Å; I1115-N1117 PolarHBondContact O-N 3.07Å
1116E26.5Very low26.7Very low176 Ų176132.9 Ų132.982%0.82268%0.679SS**  trans-67.6101.6158.9-76.4-165.9154.800106.9L1114 T1118L1114-E1116 PolarHBondContact O-N 2.8Å; E1116-T1118 PolarHBondContact O-N 2.68Å
1117N25.8Very low27Very low90 Ų90133.5 Ų133.548%0.48168%0.684SS.*  trans-55.2103.1177.3-70.4-58.2000110.7I1115 I1119I1115-N1117 VanDerWaalsContact C-N 3.3Å; I1115-N1117 PolarHBondContact O-N 3.07Å; N1117-I1119 PolarHBondContact O-N 2.73Å
1118T25.4Very low27Very low136 Ų136132.4 Ų132.483%0.83468%0.682SS**  trans-8757.1155.142.70000110.6E1116 C1120E1116-T1118 PolarHBondContact O-N 2.68Å; T1118-C1120 PolarHBondContact O-N 3.3Å
1119I25.2Very low27.3Very low123 Ų123131.3 Ų131.363%0.63168%0.682SS**  trans-81.681.5149.7-57.6176.9000105.9N1117 N1121N1117-I1119 PolarHBondContact O-N 2.73Å; I1119-N1121 WeakPolarHBondContact CG2-OD1 3.31Å
1120C27.5Very low27.5Very low113 Ų113131.4 Ų131.476%0.76468%0.682SS**  trans-89.2100160.3-83.40000108T1118 D1122T1118-C1120 PolarHBondContact O-N 3.3Å; C1120-D1122 PolarHBondContact O-N 3Å
1121N27Very low27.8Very low129 Ų129130.4 Ų130.469%0.6968%0.682SS**  trans-71.4114.4163-62.5-27.7000108.3I1119 E1123I1119-N1121 WeakPolarHBondContact CG2-OD1 3.31Å; N1121-E1123 VanDerWaalsContact C-N 3.33Å; N1121-E1123 PolarHBondContact O-N 3.19Å
1122D29.8Very low28.2Very low168 Ų168133.7 Ų133.790%0.89870%0.696SS**  trans-96.166158.8-82.9-28.1000109.4C1120C1120-D1122 PolarHBondContact O-N 3Å
1123E26.4Very low28.6Very low171 Ų171135.7 Ų135.780%0.79970%0.704SS**  trans-113.8109.4158.5-81.8-165.8154.300109.3N1121N1121-E1123 VanDerWaalsContact C-N 3.33Å; N1121-E1123 PolarHBondContact O-N 3.19Å
1124K33.2Very low29.2Very low200 Ų200134 Ų13487%0.8770%0.702SS**  trans-170.691.3156.2-105.7160.8-171.1-179.50107.1
1125T29.4Very low29.6Very low131 Ų131135.4 Ų135.480%0.80471%0.711SS**  62.911874.9-42.30000112.3
1126I24.6Very low30Very low151 Ų151138.5 Ų138.577%0.77473%0.726SS**  trans-69.7139.3-178.8-62.5156.7000110.8
1127Q30.7Very low30.4Very low174 Ų174136.1 Ų136.181%0.81372%0.719SS**  trans165.8105.6142.1-92.1165.524.700109.2
1128T25.7Very low30.7Very low106 Ų106137 Ų13765%0.6573%0.728SS**  53.8105.197.161.90000115.4
1129N31.5Very low31.2Very low135 Ų135135.8 Ų135.872%0.72272%0.72SS**  175.7133106-89.8-21.9000114.7
1130N32.3Very low31.8Very low121 Ų121136 Ų13665%0.64772%0.723SS**  trans66.7124.9134.6-58.6-10.4000122.7
1131N32.6Very low32.2Very low134 Ų134137.2 Ų137.272%0.71772%0.722SS**  trans72.1129.2133.4-61.29.7000117.4
1132D34.9Very low32.6Very low126 Ų126137.2 Ų137.267%0.67472%0.722SS**  cis-160143.942.2-102.2-40.5000115.3
1133N35.2Very low32.9Very low116 Ų116135.7 Ų135.762%0.6271%0.714SS**  trans66.7136.8135.9-64.6-39.6000125.7
1134H37.5Very low33.3Very low160 Ų160132.2 Ų132.274%0.74171%0.708SS**  trans78.8133.3146.6-67.3-24.9000119.3
1135N34.5Very low33.3Very low120 Ų120129 Ų12964%0.64270%0.701SS**  cis-167.9165-11.3-146.7-4.1000110.2
1136I34.9Very low33.7Very low129 Ų129129.9 Ų129.966%0.66270%0.699SS**  trans66.8128.7151-72.1159.7000116.3
1137N34Very low34.2Very low126 Ų126126.9 Ų126.967%0.67469%0.691SS**  cis-167.4154.96.4-119.89.8000111.8
1138T33.7Very low34.3Very low109 Ų109122.7 Ų122.767%0.66968%0.681SS**  trans43.2144.5141.661.20000120.9
1139T35.4Very low34.7Very low109 Ų109123.4 Ų123.467%0.66968%0.681SS**  cis176.7157.510.630.20000104.4
1140D36.2Very low34.7Very low128 Ų128123 Ų12368%0.68468%0.679SS**  cis-168.3179.4-2.5-11010.9000109.3
1141N36Very low34.7Very low138 Ų138124.3 Ų124.374%0.73869%0.686SS**  trans72.4146.8161.7-66.2-46000118.9
1142N35.6Very low34.5Very low129 Ų129121.8 Ų121.869%0.6968%0.678SS**  cis-168.7172.9-33.6-129.7-38.8000108.4
1143N35.9Very low34.4Very low137 Ų137121.8 Ų121.873%0.73368%0.678SS**  trans71.2103.9167.5-60.5-15000115.8
1144S36.6Very low34.4Very low97 Ų97123.4 Ų123.468%0.67868%0.682SS**  95.1139.476.977.70000110.6
1145N33.3Very low34.3Very low133 Ų133120.7 Ų120.771%0.71167%0.673SS**  cis-168.9160.57.9-127.9-7.8000109.5
1146I36.5Very low34.4Very low149 Ų149122.6 Ų122.676%0.76468%0.676SS**  trans67.1135.5149.6-62.8162.4000116.4
1147S34.7Very low34.4Very low89 Ų89120.8 Ų120.862%0.62267%0.674SS**  cis-164149.3-18.861.20000106.8
1148S32.7Very low34.4Very low85 Ų85121.5 Ų121.559%0.59468%0.678SS**  44.2132.8101.499.90000114.5
1149D35.4Very low34.2Very low122 Ų122123 Ų12365%0.65268%0.682SS**  cis-148.213927.5-87.6-65.4000110.2
1150N30.1Very low34.2Very low126 Ų126125.4 Ų125.467%0.67469%0.691SS**  64.114278.6-70.3-46.4000115.4
1151N32.7Very low34.1Very low149 Ų149123.7 Ų123.780%0.79769%0.689SS**  trans74.8146.6159.5-58.7-29.1000117.8
1152S29.5Very low34Very low80 Ų80123 Ų12356%0.55969%0.689SS**  cis-179.4158.4-17.254.40000109.8
1153N31.7Very low33.8Very low126 Ų126123.1 Ų123.167%0.67469%0.69SS**  trans73.4153.7150-54.6-27.6000120.1
1154H35.4Very low33.4Very low151 Ų151123.6 Ų123.670%0.69969%0.692SS**  trans71.1131.4158.2-59.5-48.8000116.7
1155D36.3Very low33.1Very low102 Ų102123.4 Ų123.455%0.54569%0.691SS.*  cis-152.9148.61.7-114.2-6.7000110.3
1156K35.5Very low32.9Very low161 Ų161123.9 Ų123.970%0.769%0.694SS**  44.5140.8106.9-59.8-174-155.995.80115
1157S34.7Very low32.7Very low90 Ų90124 Ų12463%0.62970%0.696SS**  cis-175.5-173.9-4.150.60000107.7
1158N35.3Very low32.5Very low142 Ų142128 Ų12876%0.75971%0.705SS**  trans84.191.8-178.3-50.93.6000110.7
1159D29.7Very low32.3Very low141 Ų141130.4 Ų130.475%0.75471%0.71SS**  cis53.398.235.2-75.5-28.1000113.3
1160N34.7Very low32Very low159 Ų159134 Ų13485%0.8572%0.72SS**  trans175.2138139.4-86.3-28000107.7
1161S33.3Very low32Very low91 Ų91133.2 Ų133.264%0.63672%0.716SS**  cis-176.3145.4-8.347.60000109.1
1162V33.8Very low31.8Very low123 Ų123132.1 Ų132.175%0.74571%0.706SS**  trans64106.7145173.40000116.6
1163N31.3Very low31.8Very low132 Ų132134.6 Ų134.671%0.70671%0.712SS**  66112.369.7-67.2-25.6000115.6
1164N29.2Very low32Very low147 Ų147136.9 Ų136.979%0.78672%0.723SS**  trans63163.5135.5-61.4-13.1000121.8
1165S29.6Very low31.7Very low94 Ų94135.6 Ų135.666%0.65771%0.712SS**  trans74.6109.1161.126.90000118.4
1166D28.6Very low31.3Very low143 Ų143136.4 Ų136.477%0.76572%0.716SS**  75.5168.1122.9-47.9-25.5000120.6
1167D32.9Very low31.2Very low152 Ų152136.7 Ų136.781%0.81373%0.726SS**  trans65.4108.2173.6-50.1-26.1000115.7
1168E30.4Very low30.9Very low173 Ų173139.2 Ų139.281%0.80873%0.731SS**  58.3123.854.8-150.8174.8-122.600113.3
1169L28.4Very low30.7Very low134 Ų134139.4 Ų139.470%0.70273%0.731SS**  trans61.797.6169.7-71.7153.7000119.5
1170F29.3Very low30.8Very low197 Ų197137.9 Ų137.986%0.86473%0.732SS**  -175107.1124-121.7-108.8000108.6
1171N29.2Very low30.7Very low111 Ų111135.2 Ų135.259%0.59472%0.723SS**  52.4110.672.7-77.4-21.9000116.6
1172E28.7Very low30.5Very low126 Ų126137.8 Ų137.859%0.58973%0.728SS**  trans68.8162.7145.1-60.2-167.785.700121R1175E1172-R1175 IonicContact OE1-CZ 3.24Å; E1172-R1175 VanDerWaalsContact OE1-CZ 3.25Å; E1172-R1175 IonicContact OE1-NE 2.95Å; E1172-R1175 PolarHBondContact OE1-NE 3.14Å; E1172-R1175 IonicContact OE1-NH2 2.88Å; E1172-R1175 PolarHBondContact OE1-NH2 2.88Å; E1172-R1175 IonicContact OE2-CZ 3.05Å; E1172-R1175 IonicContact OE2-NE 2.83Å; E1172-R1175 IonicContact OE2-NH2 2.99Å; E1172-R1175 PolarHBondContact OE2-NH2 3.3Å
1173L29.1Very low30.2Very low131 Ų131136.6 Ų136.669%0.68673%0.726SS**  trans75.399.7-174.7-52.7161.8000111.8R1175L1173-R1175 HydrophobicContact CD2-CB 4.3Å; L1173-R1175 HydrophobicContact CD2-CG 4.2Å
1174I36.7Very low30.1Very low174 Ų174138 Ų13889%0.89273%0.733SS**SBendcis-123.397.934.3-58.9170.9000107.6
1175R28.8Very low30.3Very low124 Ų124136.4 Ų136.447%0.46873%0.731SS.*  44.8118.863.8-75.1-152.3-165.7150.33.7115.3E1172 L1173E1172-R1175 IonicContact OE1-CZ 3.24Å; E1172-R1175 VanDerWaalsContact OE1-CZ 3.25Å; E1172-R1175 IonicContact OE1-NE 2.95Å; E1172-R1175 PolarHBondContact OE1-NE 3.14Å; E1172-R1175 IonicContact OE1-NH2 2.88Å; E1172-R1175 PolarHBondContact OE1-NH2 2.88Å; E1172-R1175 IonicContact OE2-CZ 3.05Å; E1172-R1175 IonicContact OE2-NE 2.83Å; E1172-R1175 IonicContact OE2-NH2 2.99Å; E1172-R1175 PolarHBondContact OE2-NH2 3.3Å; L1173-R1175 HydrophobicContact CD2-CB 4.3Å; L1173-R1175 HydrophobicContact CD2-CG 4.2Å
1176D28Very low30.6Very low120 Ų120138 Ų13864%0.64274%0.736SS**  trans65.190.8150.8-48.5-30.1000118.5
1177N33Very low30.6Very low167 Ų167138.3 Ų138.389%0.89374%0.738SS**  -145.483.4119.3-97.1-39.5000110.2D1179N1177-D1179 PolarHBondContact O-N 2.99Å
1178I28.4Very low30.8Very low143 Ų143142.4 Ų142.473%0.73374%0.744SS**  trans-64.2118.8153.4-66.1165.7000106.3
1179D32.5Very low30.9Very low145 Ų145140.9 Ų140.978%0.77574%0.741SS**  trans-154.3107.4146-112.5-20.6000111.2N1177N1177-D1179 PolarHBondContact O-N 2.99Å
1180S30.6Very low31.1Very low109 Ų109139.4 Ų139.476%0.76274%0.738SS**  trans-97129.2155.3-64.80000107.6
1181P33.3Very low31.4Very low103 Ų103136.7 Ų136.767%0.66973%0.732SS**  trans-111.5126.1135.6-10.629.7000110.1
1182I28.7Very low31.5Very low146 Ų146136.2 Ų136.275%0.74974%0.737SS**  629186.8-60.4165.4000109.1
1183S27.2Very low32Very low98 Ų98136 Ų13669%0.68574%0.744SS**  61.8109.994.2-56.20000113.7
1184N30Very low32.3Very low161 Ų161136 Ų13686%0.86175%0.746SS**  -160.3126.5129.4-102.8-19.3000111.8
1185P33.5Very low32.7Very low114 Ų114138.2 Ų138.274%0.7474%0.744SS**  trans-96.4137.9163.135.5-27.6000110.4
1186T35.7Very low33.2Very low126 Ų126139 Ų13977%0.77376%0.757SS**  trans-148.7118159.443.60000110
1187D29.4Very low33.8Very low151 Ų151140.2 Ų140.281%0.80776%0.764SS**  trans-54.4147.1155.1-55.4-72.1000109.9
1188Y35.7Very low34.2Very low237 Ų237138.9 Ų138.993%0.92976%0.757SS**  trans-147.3148.3135-99.2-67.9000110.1
1189D32.8Very low34.7Very low141 Ų141139 Ų13975%0.75476%0.759SS**  trans-122.7177.3-153.9-171.410.9000110.3
1190V32.7Very low34.9Very low103 Ų103139.1 Ų139.162%0.62476%0.76SS**  trans80.5138.2160-149.50000119.2
1191N36.2Very low35.2Very low141 Ų141141.7 Ų141.775%0.75476%0.76SS**  trans100.491.4163.8-52.6-60.5000114.4
1192S31.6Very low35.2Very low100 Ų100144 Ų14470%0.69977%0.766SS**  cis60.891.142.5-175.80000114.5
1193V38.6Very low35.4Very low121 Ų121141.5 Ų141.573%0.73376%0.761SS**  trans-145.2117.7140.6-177.30000108.2Y1195V1193-Y1195 HydrophobicContact CG1-CD2 3.84Å; V1193-Y1195 HydrophobicContact CG1-CE2 3.73Å
1194D35.5Very low35.6Very low133 Ų133141.6 Ų141.671%0.71176%0.761SS**  trans-78.7144.3165.7-59.2-64.5000110.1
1195Y44.5Very low35.8Very low220 Ų220140.9 Ų140.986%0.86376%0.763SS**  trans-140.9113.2148.5-88.8-73.2000109V1193V1193-Y1195 HydrophobicContact CG1-CD2 3.84Å; V1193-Y1195 HydrophobicContact CG1-CE2 3.73Å
1196D38.5Very low35.5Very low139 Ų139141 Ų14174%0.74377%0.766SS**  trans-76.1-167.6169.5-76.9-55.1000110.7
1197D41.3Very low35.4Very low147 Ų147141.5 Ų141.579%0.78677%0.77SS**  trans88.1141.2165.7-49.2-17.3000117.3
1198D41.3Very low35.4Very low138 Ų138139.2 Ų139.274%0.73877%0.766SS**  cis-164.4176.9-48.7-125.8-27.2000108.5
1199D40Very low35.3Very low145 Ų145135.2 Ų135.278%0.77576%0.759SS**  trans68.3109.2155.1-71.8-31.7000122
1200D37Very low35.1Very low149 Ų149135 Ų13580%0.79776%0.758SS**  trans-51.4147.6144.9-68-64.2000112.1
1201Q36.2Very low35.2Very low163 Ų163137 Ų13776%0.76276%0.764SS**  170.8145110.4-99.1-176.989.700116.1
1202L32.8Very low35Very low151 Ų151135.9 Ų135.979%0.79176%0.758SS**  trans64151.6151.1-62.3164.8000116.8
1203S33.4Very low35.1Very low93 Ų93137.8 Ų137.865%0.6576%0.761SS**  cis-162.7154.1-12.4470000109
1204S30.8Very low34.9Very low100 Ų100137.1 Ų137.170%0.69976%0.761SS**  trans6.2128.4156.357.10000120.2
1205T33.5Very low34.9Very low147 Ų147137.8 Ų137.890%0.90277%0.765SS**  -175.3157.5109.822.90000112.9
1206S28.8Very low34.5Very low115 Ų115133.4 Ų133.480%0.80476%0.763SS**  trans-107131.6-174.1-450000112.2
1207T33.9Very low34Very low138 Ų138133 Ų13385%0.84776%0.76SS**  trans-174.6120.2145.627.70000106.2
1208S29.3Very low33.4Very low102 Ų102135.6 Ų135.671%0.71376%0.76SS**  77.2143.365.3-166.60000113.4
1209L32.8Very low32.9Very low153 Ų153136.7 Ų136.780%0.80176%0.761SS**  trans79.4142.1-177.4-48.4175.5000114.9
1210L29.6Very low32.4Very low138 Ų138134 Ų13472%0.72375%0.753SS**  cis170.5161.6-25.2-131166.7000104.4
1211L34.5Very low32Very low145 Ų145132.2 Ų132.276%0.75975%0.748SS**  trans74.5144.3169.2-53.8156.6000116.2
1212D31.2Very low31.9Very low116 Ų116130.4 Ų130.462%0.6274%0.743SS**  cis-174.9158.3-30.4-119.68000108.6
1213N33.3Very low31.7Very low141 Ų141129.8 Ų129.875%0.75474%0.741SS**  trans66.4148.2158.3-57.7-32.3000117.7
1214S35.3Very low31.8Very low107 Ų107130.4 Ų130.475%0.74875%0.745SS**  cis-166.6143.7-334.70000110.9
1215N35.4Very low31.7Very low146 Ų146133.3 Ų133.378%0.78175%0.752SS**  trans-71.5166.5160.4-84.7-13.4000110.8
1216P36.4Very low31.7Very low129 Ų129133.8 Ų133.884%0.83875%0.748SS**  -138.7171.3113.634.4-20.3000115.7
1217I28.2Very low31.9Very low131 Ų131132.6 Ų132.667%0.67274%0.739SS**  trans-108.4174.1-174-58.9162.6000109
1218Y27.9Very low31.9Very low201 Ų201130.9 Ų130.979%0.78873%0.729SS**  trans86.6149.8168.1-64.5-75.7000115.3
1219Q31.5Very low32Very low160 Ų160133.1 Ų133.175%0.74873%0.728SS**  cis-158.3159.519.4-141157.721.700112.1
1220S28.8Very low32.4Very low88 Ų88131.1 Ų131.162%0.61572%0.718SS**  trans30.4145.5138.167.70000121.3
1221T28.8Very low32.5Very low113 Ų113130.8 Ų130.869%0.69372%0.717SS**  cis177.217712.419.90000108.7
1222N33.1Very low32.4Very low124 Ų124130 Ų13066%0.66372%0.715SS**  trans86.6104148.8-64.9-23000121
1223N30.3Very low32.5Very low139 Ų139130.8 Ų130.874%0.74372%0.721SS**  79.9153.5111.5-61.4-12.9000122.9
1224S33.9Very low32.5Very low105 Ų105130.2 Ų130.273%0.73472%0.719SS**  trans66.7112.4174.746.40000116
1225L28.9Very low32.3Very low161 Ų161131.6 Ų131.684%0.84372%0.717SS**  78.3141.555.2-79.2163.1000113.3
1226I34.1Very low32.1Very low158 Ų158130.7 Ų130.781%0.8171%0.712SS**  trans76.3127.6172.6-54.5150.3000113.1
1227S33.9Very low31.8Very low89 Ų89130.8 Ų130.862%0.62270%0.704SS**  cis-168.4172.4-20.554.10000108.4
1228T32.6Very low32Very low103 Ų103130.8 Ų130.863%0.63271%0.706SS**  trans5.4140.2142.458.40000117.6
1229E32.6Very low32.4Very low148 Ų148124.9 Ų124.969%0.69270%0.699SS**  cis-170.9163.915.4-114158.4-156.900105.7
1230N40.3Very low32.5Very low111 Ų111121.7 Ų121.759%0.59470%0.695SS**  cis-145.8012.96.3166.3000111.1H958 H959H958-N1230 WeakPolarHBondContact O-CB 3Å; H958-N1230 PolarHBondContact O-OD1 3.4Å; H959-N1230 VanDerWaalsContact CB-C 3.41Å; H959-N1230 HydrophobicContact CB-CB 3.87Å; H959-N1230 VanDerWaalsContact CB-OXT 3.31Å; H959-N1230 WeakPolarHBondContact CB-OXT 3.26Å; H959-N1230 VanDerWaalsContact CD2-CG 3.45Å; H959-N1230 PolarHBondContact CD2-O 3.46Å; H959-N1230 VanDerWaalsContact CD2-O 3.3Å; H959-N1230 PolarHBondContact CE1-ND2 3.05Å; H959-N1230 PolarHBondContact CE1-OD1 3.23Å; H959-N1230 PolarHBondContact N-OXT 3.44Å; H959-N1230 PolarHBondContact ND1-OD1 3.24Å; H959-N1230 PolarHBondContact NE2-ND2 3.27Å; H959-N1230 VanDerWaalsContact NE2-ND2 3.14Å

Retrieved 1,230 of 1,230 residues in 402 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).