A0A087XU73_POEFO Loading...

Vinculin

Actin filament (F-actin)-binding protein involved in cell-matrix adhesion and cell-cell adhesion. Regulates cell-surface E-cadherin expression and potentiates mechanosensing by the E-cadherin complex. May also play important roles in cell morphology and locomotion.

AlphaFold DB , UniProt , Accession A0A087XU73, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,070 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
1M59.2Low86.4Confident122 Ų12239.5 Ų39.560%0.60121%0.214SC*.  0148.20-70.1-169.6-68.700108.5V3 Q1022 M1026M1-V3 PolarHBondContact O-N 2.92Å; M1-Q1022 HydrophobicContact SD-CB 4.41Å; M1-M1026 HydrophobicContact CB-SD 4.09Å; M1-M1026 HydrophobicContact CG-SD 4.41Å; M1-M1026 HydrophobicContact SD-SD 4.04Å
2P73.3Confident86.8Confident20 Ų2040.7 Ų40.713%0.1322%0.219CC..  trans-62.6130.317425.7-31.4000110S120 L1002 V1005 M1026P2-S120 WeakPolarHBondContact CA-OG 3.48Å; P2-L1002 HydrophobicContact CG-CD2 3.93Å; P2-V1005 HydrophobicContact CB-CG2 4.47Å; P2-V1005 HydrophobicContact CG-CG1 4.48Å; P2-V1005 HydrophobicContact CG-CG2 4.47Å; P2-M1026 HydrophobicContact CG-CE 4.22Å; P2-M1026 HydrophobicContact CG-SD 4.14Å; P2-M1026 WeakPolarHBondContact O-CE 3.34Å
3V83.2Confident87.2Confident12 Ų1237.8 Ų37.87%0.07320%0.204CC..  trans-113.6147.2176-68.30000110.3M1 I9 L13 S120 L124M1-V3 PolarHBondContact O-N 2.92Å; V3-I9 HydrophobicContact CG2-CD1 4.3Å; V3-I9 HydrophobicContact CG2-CG2 4.41Å; V3-I9 WeakPolarHBondContact O-CG2 3.35Å; V3-L13 WeakPolarHBondContact O-CD1 3.43Å; V3-S120 WeakPolarHBondContact CG2-OG 3.18Å; V3-S120 PolarHBondContact N-OG 3.46Å; V3-L124 HydrophobicContact CG1-CD1 4.3Å; V3-L124 HydrophobicContact CG1-CD2 4.2Å; V3-L124 HydrophobicContact CG2-CB 3.82Å; V3-L124 HydrophobicContact CG2-CD1 4.11Å; V3-L124 HydrophobicContact CG2-CD2 4.39Å; V3-L124 HydrophobicContact CG2-CG 4.32Å
4F88Confident87.4Confident11 Ų1139.7 Ų39.75%0.04821%0.211CC..  trans-155.830.7-179.840.7-108.3000110.6T6 T183 Q998 L1002 M1026F4-T6 PolarHBondContact O-N 3.12Å; F4-T183 WeakPolarHBondContact O-CG2 3.01Å; F4-T183 PolarHBondContact O-OG1 3.33Å; F4-Q998 HydrophobicContact CB-CG 4.42Å; F4-Q998 HydrophobicContact CD1-CG 4.37Å; F4-Q998 HydrophobicContact CD2-CB 4.21Å; F4-Q998 HydrophobicContact CD2-CG 3.35Å; F4-Q998 HydrophobicContact CE1-CB 4.49Å; F4-Q998 HydrophobicContact CE2-CB 3.98Å; F4-Q998 HydrophobicContact CE2-CG 3.55Å; F4-Q998 VanDerWaalsContact CE2-OE1 3.31Å; F4-Q998 HydrophobicContact CG-CG 3.78Å; F4-Q998 HydrophobicContact CZ-CB 4.13Å; F4-Q998 HydrophobicContact CZ-CG 4.17Å; F4-L1002 HydrophobicContact CE1-CD1 4.19Å; F4-L1002 HydrophobicContact CE1-CD2 3.84Å; F4-L1002 HydrophobicContact CE1-CG 3.91Å; F4-L1002 HydrophobicContact CZ-CD1 3.93Å; F4-L1002 HydrophobicContact CZ-CD2 4.25Å; F4-L1002 HydrophobicContact CZ-CG 4.18Å; F4-M1026 HydrophobicContact CE1-CE 4.2Å; F4-M1026 HydrophobicContact CZ-CE 4.08Å
5H89.6Confident87.7Confident1 Ų140.7 Ų40.71%0.00522%0.22CC..  trans-75.6-5.2-176.660.6-71000113.8I9 D127 L182 T183 T251H5-I9 VanDerWaalsContact CE1-CD1 3.45Å; H5-I9 WeakPolarHBondContact CE1-CD1 3.07Å; H5-D127 IonicContact CD2-OD2 3.86Å; H5-D127 IonicContact CE1-OD2 4Å; H5-D127 IonicContact NE2-OD2 2.94Å; H5-D127 PolarHBondContact NE2-OD2 3.47Å; H5-L182 WeakPolarHBondContact O-CA 3.4Å; H5-T183 VanDerWaalsContact CA-OG1 3.23Å; H5-T183 WeakPolarHBondContact CA-OG1 3.24Å; H5-T183 PolarHBondContact O-N 3.43Å; H5-T183 PolarHBondContact O-OG1 3.33Å; H5-T251 WeakPolarHBondContact CB-O 3.41Å
6T93.9Very high87.9Confident3 Ų338.7 Ų38.72%0.01821%0.21CC..BIsolated β-bridgetrans-127150.6172.373.50000112.1F4 T8 I9 E10 D127 E181 L182F4-T6 PolarHBondContact O-N 3.12Å; T6-T8 VanDerWaalsContact C-N 3.26Å; T6-T8 PolarHBondContact O-N 3.11Å; T6-I9 HydrophobicContact CG2-CD1 4.34Å; T6-I9 PolarHBondContact O-N 3.23Å; T6-I9 VanDerWaalsContact O-N 3.16Å; T6-I9 WeakPolarHBondContact OG1-CD1 3.32Å; T6-I9 WeakPolarHBondContact OG1-CG1 3.48Å; T6-I9 PolarHBondContact OG1-N 2.97Å; T6-E10 PolarHBondContact O-N 3.16Å; T6-D127 WeakPolarHBondContact CG2-OD1 3.14Å; T6-E181 CarbonylContact C-O 3.56Å; T6-E181 WeakPolarHBondContact CA-O 3.5Å; T6-L182 HydrophobicContact CG2-CD2 4.38Å
7K92.6Very high88.1Confident100 Ų10036.6 Ų36.644%0.43520%0.199SC..Hα-helixtrans-58.9-39.9177.4-70175.2-179.8168.80111.4E10 S11 Q180 E181 T183K7-E10 PolarHBondContact O-N 3.34Å; K7-S11 VanDerWaalsContact O-CB 3.25Å; K7-S11 WeakPolarHBondContact O-CB 3.27Å; K7-S11 PolarHBondContact O-N 2.87Å; K7-S11 PolarHBondContact O-OG 3.14Å; K7-Q180 WeakPolarHBondContact CD-O 3.46Å; K7-Q180 VanDerWaalsContact CE-O 3.24Å; K7-Q180 WeakPolarHBondContact CE-O 3.43Å; K7-Q180 PolarHBondContact NZ-O 3.27Å; K7-E181 PolarHBondContact N-O 3.19Å; K7-T183 HydrophobicContact CG-CG2 4.26Å
8T93Very high88.3Confident70 Ų7040.9 Ų40.943%0.42922%0.218SC..Hα-helixtrans-58.2-49.9174.5-63.10000111.3T6 S11 I12 E181T6-T8 VanDerWaalsContact C-N 3.26Å; T6-T8 PolarHBondContact O-N 3.11Å; T8-S11 PolarHBondContact O-N 2.98Å; T8-S11 PolarHBondContact O-OG 3Å; T8-I12 HydrophobicContact CG2-CD1 4.07Å; T8-I12 WeakPolarHBondContact O-CG1 3.48Å; T8-I12 PolarHBondContact O-N 3.47Å; T8-E181 PolarHBondContact N-OE2 3.38Å; T8-E181 PolarHBondContact OG1-OE2 3.41Å
9I93.5Very high88.4Confident4 Ų441.7 Ų41.72%0.02122%0.22CC..Hα-helixtrans-63-46.9179.8-64.5169.2000110.6V3 H5 T6 S11 I12 L13 L123 D127V3-I9 HydrophobicContact CG2-CD1 4.3Å; V3-I9 HydrophobicContact CG2-CG2 4.41Å; V3-I9 WeakPolarHBondContact O-CG2 3.35Å; H5-I9 VanDerWaalsContact CE1-CD1 3.45Å; H5-I9 WeakPolarHBondContact CE1-CD1 3.07Å; T6-I9 HydrophobicContact CG2-CD1 4.34Å; T6-I9 PolarHBondContact O-N 3.23Å; T6-I9 VanDerWaalsContact O-N 3.16Å; T6-I9 WeakPolarHBondContact OG1-CD1 3.32Å; T6-I9 WeakPolarHBondContact OG1-CG1 3.48Å; T6-I9 PolarHBondContact OG1-N 2.97Å; I9-S11 PolarHBondContact O-N 3.42Å; I9-I12 PolarHBondContact O-N 3.25Å; I9-L13 HydrophobicContact CG2-CD1 3.68Å; I9-L13 HydrophobicContact CG2-CG 4.19Å; I9-L13 WeakPolarHBondContact O-CB 3.48Å; I9-L13 PolarHBondContact O-N 3.05Å; I9-L123 HydrophobicContact CG1-CB 4.09Å; I9-L123 HydrophobicContact CG2-CB 4.45Å; I9-L123 HydrophobicContact CG2-CD1 4.21Å; I9-D127 HydrophobicContact CD1-CB 4.15Å
10E91.9Very high88.6Confident19 Ų1939.6 Ų39.69%0.08921%0.209CC..Hα-helixtrans-57.8-47.7178.2-176.6175-142.700111.8T6 K7 I12 L13 E14 T997T6-E10 PolarHBondContact O-N 3.16Å; K7-E10 PolarHBondContact O-N 3.34Å; E10-I12 PolarHBondContact O-N 2.88Å; E10-L13 PolarHBondContact O-N 3.27Å; E10-E14 VanDerWaalsContact O-CB 3.31Å; E10-E14 WeakPolarHBondContact O-CB 3.15Å; E10-E14 PolarHBondContact O-N 3.49Å; E10-T997 HydrophobicContact CG-CG2 3.81Å; E10-T997 WeakPolarHBondContact OE1-CB 3.48Å; E10-T997 WeakPolarHBondContact OE1-CG2 3.4Å
11S91.8Very high88.8Confident72 Ų7237.8 Ų37.850%0.50320%0.2SC..Hα-helixtrans-64.4-25.5-178.6730000114.3K7 T8 I9 P15K7-S11 VanDerWaalsContact O-CB 3.25Å; K7-S11 WeakPolarHBondContact O-CB 3.27Å; K7-S11 PolarHBondContact O-N 2.87Å; K7-S11 PolarHBondContact O-OG 3.14Å; T8-S11 PolarHBondContact O-N 2.98Å; T8-S11 PolarHBondContact O-OG 3Å; I9-S11 PolarHBondContact O-N 3.42Å; S11-P15 WeakPolarHBondContact O-CD 3.29Å; S11-P15 WeakPolarHBondContact O-CG 3.29Å
12I91.7Very high90.3Very high54 Ų5436.5 Ų36.528%0.27719%0.192SC..Hα-helixtrans-89.3-42177.5-63.8170.3000110.2T8 I9 E10 P15 V16 T119 L123T8-I12 HydrophobicContact CG2-CD1 4.07Å; T8-I12 WeakPolarHBondContact O-CG1 3.48Å; T8-I12 PolarHBondContact O-N 3.47Å; I9-I12 PolarHBondContact O-N 3.25Å; E10-I12 PolarHBondContact O-N 2.88Å; I12-P15 WeakPolarHBondContact O-CD 3.33Å; I12-P15 WeakPolarHBondContact O-CG 3.48Å; I12-V16 VanDerWaalsContact O-CG2 3.3Å; I12-V16 WeakPolarHBondContact O-CG2 3.13Å; I12-T119 HydrophobicContact CG2-CG2 4.46Å; I12-L123 HydrophobicContact CB-CD1 3.92Å; I12-L123 HydrophobicContact CD1-CD1 4.46Å; I12-L123 HydrophobicContact CD1-CD2 3.6Å; I12-L123 HydrophobicContact CG2-CD1 3.78Å; I12-L123 HydrophobicContact CG2-CD2 4.36Å
13L91.6Very high91.2Very high4 Ų435.6 Ų35.62%0.02119%0.186CC..Hα-helixtrans-72.4-33-178.9-75.6-178.8000113V3 I9 E10 V16 A17 T119 L123 I1001V3-L13 WeakPolarHBondContact O-CD1 3.43Å; I9-L13 HydrophobicContact CG2-CD1 3.68Å; I9-L13 HydrophobicContact CG2-CG 4.19Å; I9-L13 WeakPolarHBondContact O-CB 3.48Å; I9-L13 PolarHBondContact O-N 3.05Å; E10-L13 PolarHBondContact O-N 3.27Å; L13-V16 PolarHBondContact O-N 3.39Å; L13-A17 VanDerWaalsContact O-CB 3.24Å; L13-A17 WeakPolarHBondContact O-CB 3.48Å; L13-A17 PolarHBondContact O-N 3.3Å; L13-T119 HydrophobicContact CD2-CG2 3.75Å; L13-L123 HydrophobicContact CD2-CD1 4.24Å; L13-L123 HydrophobicContact CG-CD1 4.02Å; L13-I1001 HydrophobicContact CB-CD1 4.11Å
14E90.6Very high91.6Very high64 Ų6435 Ų3530%0.29918%0.182SC..Hα-helixtrans-55.6-56.2178.8178.1173.1-150.100113.1E10 V16 A17 Q18 T997 K1000E10-E14 VanDerWaalsContact O-CB 3.31Å; E10-E14 WeakPolarHBondContact O-CB 3.15Å; E10-E14 PolarHBondContact O-N 3.49Å; E14-V16 VanDerWaalsContact C-N 3.31Å; E14-V16 PolarHBondContact O-N 3.4Å; E14-A17 PolarHBondContact O-N 3.13Å; E14-Q18 WeakPolarHBondContact O-CB 3.44Å; E14-Q18 PolarHBondContact O-N 2.9Å; E14-T997 HydrophobicContact CB-CG2 4.04Å; E14-T997 HydrophobicContact CG-CG2 4Å; E14-T997 PolarHBondContact OE1-OG1 3.41Å; E14-K1000 IonicContact OE1-NZ 2.81Å; E14-K1000 PolarHBondContact OE1-NZ 3.18Å
15P91.6Very high91.7Very high54 Ų5435.8 Ų35.835%0.35119%0.187SC..Hα-helixtrans-67.6-30.4179.625.8-35.1000112.9S11 I12 Q19S11-P15 WeakPolarHBondContact O-CD 3.29Å; S11-P15 WeakPolarHBondContact O-CG 3.29Å; I12-P15 WeakPolarHBondContact O-CD 3.33Å; I12-P15 WeakPolarHBondContact O-CG 3.48Å; P15-Q19 WeakPolarHBondContact O-CG 3.34Å; P15-Q19 PolarHBondContact O-N 2.89Å; P15-Q19 VanDerWaalsContact O-N 3.14Å
16V91.2Very high91.6Very high9 Ų937.3 Ų37.36%0.05519%0.194CC..Hα-helixtrans-66.7-48.9174.6173.60000110I12 L13 E14 Q18 Q19 I20 I115 L116I12-V16 VanDerWaalsContact O-CG2 3.3Å; I12-V16 WeakPolarHBondContact O-CG2 3.13Å; L13-V16 PolarHBondContact O-N 3.39Å; E14-V16 VanDerWaalsContact C-N 3.31Å; E14-V16 PolarHBondContact O-N 3.4Å; V16-Q18 VanDerWaalsContact C-N 3.29Å; V16-Q18 PolarHBondContact O-N 3.05Å; V16-Q19 PolarHBondContact O-N 3.49Å; V16-I20 HydrophobicContact CG1-CG1 4.43Å; V16-I20 VanDerWaalsContact O-CG1 3.31Å; V16-I20 WeakPolarHBondContact O-CG1 3.34Å; V16-I20 PolarHBondContact O-N 3.31Å; V16-I115 HydrophobicContact CG1-CG2 3.67Å; V16-L116 HydrophobicContact CG1-CD2 4.26Å
17A90.8Very high91.4Very high4 Ų437.3 Ų37.33%0.03319%0.194CC..Hα-helixtrans-60.7-38.7175.900000112L13 E14 I20 S21 L116 I1001L13-A17 VanDerWaalsContact O-CB 3.24Å; L13-A17 WeakPolarHBondContact O-CB 3.48Å; L13-A17 PolarHBondContact O-N 3.3Å; E14-A17 PolarHBondContact O-N 3.13Å; A17-I20 PolarHBondContact O-N 2.95Å; A17-S21 WeakPolarHBondContact O-CB 3.38Å; A17-S21 PolarHBondContact O-N 3.04Å; A17-L116 HydrophobicContact CB-CD2 4.01Å; A17-I1001 HydrophobicContact CB-CB 4.5Å; A17-I1001 HydrophobicContact CB-CG1 4.04Å; A17-I1001 HydrophobicContact CB-CG2 4.48Å
18Q91.1Very high91.1Very high113 Ų11332.9 Ų32.953%0.52818%0.175SC..Hα-helixtrans-60.3-48.2175.7-173.4177.94.200112.1E14 V16 S21 H22E14-Q18 WeakPolarHBondContact O-CB 3.44Å; E14-Q18 PolarHBondContact O-N 2.9Å; V16-Q18 VanDerWaalsContact C-N 3.29Å; V16-Q18 PolarHBondContact O-N 3.05Å; Q18-S21 WeakPolarHBondContact O-CB 3.45Å; Q18-S21 PolarHBondContact O-N 3.19Å; Q18-S21 PolarHBondContact O-OG 2.71Å; Q18-H22 PolarHBondContact O-N 3.29Å
19Q91.1Very high90.7Very high56 Ų5632.4 Ų32.426%0.26217%0.168SC..Hα-helixtrans-64.3-43.9177.9-70.117659.200111.9P15 V16 S21 H22 A46 V47P15-Q19 WeakPolarHBondContact O-CG 3.34Å; P15-Q19 PolarHBondContact O-N 2.89Å; P15-Q19 VanDerWaalsContact O-N 3.14Å; V16-Q19 PolarHBondContact O-N 3.49Å; Q19-S21 VanDerWaalsContact C-N 3.3Å; Q19-S21 PolarHBondContact O-N 3.38Å; Q19-H22 PolarHBondContact O-N 3.14Å; Q19-A46 VanDerWaalsContact OE1-C 3.28Å; Q19-V47 HydrophobicContact CB-CG2 3.85Å
20I93.3Very high90.1Very high0 Ų032.2 Ų32.20%017%0.167CC..Hα-helixtrans-62.5-38176.5-66.9-57000111.3V16 A17 H22 L23 V24 V47 L88 I115 L116 T1004V16-I20 HydrophobicContact CG1-CG1 4.43Å; V16-I20 VanDerWaalsContact O-CG1 3.31Å; V16-I20 WeakPolarHBondContact O-CG1 3.34Å; V16-I20 PolarHBondContact O-N 3.31Å; A17-I20 PolarHBondContact O-N 2.95Å; I20-H22 PolarHBondContact O-N 2.75Å; I20-L23 HydrophobicContact CD1-CD1 4.07Å; I20-L23 WeakPolarHBondContact O-CB 3.43Å; I20-L23 PolarHBondContact O-N 2.8Å; I20-V24 HydrophobicContact CG2-CG2 4.05Å; I20-V24 WeakPolarHBondContact O-CG2 3.39Å; I20-V24 PolarHBondContact O-N 2.83Å; I20-V47 HydrophobicContact CD1-CG1 3.93Å; I20-V47 HydrophobicContact CD1-CG2 4.16Å; I20-L88 HydrophobicContact CD1-CD1 4.47Å; I20-I115 HydrophobicContact CD1-CB 4.14Å; I20-I115 HydrophobicContact CD1-CG1 4.46Å; I20-I115 HydrophobicContact CD1-CG2 4.11Å; I20-I115 HydrophobicContact CG1-CG2 4.19Å; I20-L116 HydrophobicContact CB-CD2 4.21Å; I20-L116 HydrophobicContact CB-CG 4.41Å; I20-L116 HydrophobicContact CG1-CD2 4.11Å; I20-L116 HydrophobicContact CG1-CG 4.31Å; I20-L116 HydrophobicContact CG2-CD1 3.86Å; I20-L116 HydrophobicContact CG2-CD2 4.38Å; I20-L116 HydrophobicContact CG2-CG 4.08Å; I20-T1004 HydrophobicContact CG2-CG2 4.32Å
21S92.2Very high89.6Confident2 Ų235.9 Ų35.91%0.01418%0.184CC..Hα-helixtrans-57-36.3178.781.30000112.2A17 Q18 Q19 V24 I25A17-S21 WeakPolarHBondContact O-CB 3.38Å; A17-S21 PolarHBondContact O-N 3.04Å; Q18-S21 WeakPolarHBondContact O-CB 3.45Å; Q18-S21 PolarHBondContact O-N 3.19Å; Q18-S21 PolarHBondContact O-OG 2.71Å; Q19-S21 VanDerWaalsContact C-N 3.3Å; Q19-S21 PolarHBondContact O-N 3.38Å; S21-V24 PolarHBondContact O-N 3.11Å; S21-I25 WeakPolarHBondContact O-CD1 3.49Å; S21-I25 VanDerWaalsContact O-CG1 3.23Å; S21-I25 WeakPolarHBondContact O-CG1 3.36Å; S21-I25 PolarHBondContact O-N 3.35Å
22H91Very high89Confident94 Ų9437 Ų3744%0.43519%0.187SC..Hα-helixtrans-68.1-40.1176.6-64.1173.2000111.9Q18 Q19 I20 V24 I25 M26Q18-H22 PolarHBondContact O-N 3.29Å; Q19-H22 PolarHBondContact O-N 3.14Å; I20-H22 PolarHBondContact O-N 2.75Å; H22-V24 VanDerWaalsContact C-N 3.33Å; H22-V24 PolarHBondContact O-N 2.66Å; H22-I25 PolarHBondContact O-N 3.28Å; H22-M26 WeakPolarHBondContact O-CE 3.47Å; H22-M26 WeakPolarHBondContact O-CG 3.38Å; H22-M26 PolarHBondContact O-N 3.23Å
23L91.8Very high88.5Confident1 Ų137.3 Ų37.31%0.00519%0.19CC..Hα-helixtrans-63.4-40.4175.5-58.3-175.6000111.6I20 M26 H27 P43 V44 V47 L88 L108I20-L23 HydrophobicContact CD1-CD1 4.07Å; I20-L23 WeakPolarHBondContact O-CB 3.43Å; I20-L23 PolarHBondContact O-N 2.8Å; L23-M26 HydrophobicContact CD2-CE 3.65Å; L23-M26 PolarHBondContact O-N 3.44Å; L23-H27 PolarHBondContact O-N 2.91Å; L23-P43 HydrophobicContact CD2-CB 3.87Å; L23-V44 HydrophobicContact CD1-CG2 4.37Å; L23-V44 HydrophobicContact CD2-CG2 4.48Å; L23-V47 HydrophobicContact CD1-CG2 4.26Å; L23-L88 HydrophobicContact CD1-CD2 4.21Å; L23-L108 HydrophobicContact CB-CD1 4.27Å; L23-L108 HydrophobicContact CD1-CD1 4.34Å
24V91.2Very high88Confident0 Ų039.2 Ų39.20%021%0.211CC..Hα-helixtrans-67.5-38.8178.5178.10000111.5I20 S21 H22 H27 E28 I109 K948 I952 A1007 T1008I20-V24 HydrophobicContact CG2-CG2 4.05Å; I20-V24 WeakPolarHBondContact O-CG2 3.39Å; I20-V24 PolarHBondContact O-N 2.83Å; S21-V24 PolarHBondContact O-N 3.11Å; H22-V24 VanDerWaalsContact C-N 3.33Å; H22-V24 PolarHBondContact O-N 2.66Å; V24-H27 WeakPolarHBondContact O-CB 3.39Å; V24-H27 PolarHBondContact O-N 3.19Å; V24-E28 PolarHBondContact O-N 3.01Å; V24-E28 VanDerWaalsContact O-N 3.07Å; V24-I109 HydrophobicContact CB-CD1 4.27Å; V24-I109 HydrophobicContact CG1-CD1 4.08Å; V24-I109 HydrophobicContact CG2-CD1 3.96Å; V24-K948 HydrophobicContact CG1-CB 4.14Å; V24-K948 HydrophobicContact CG1-CD 4.22Å; V24-I952 HydrophobicContact CB-CD1 4.04Å; V24-I952 HydrophobicContact CG1-CD1 3.83Å; V24-A1007 HydrophobicContact CG1-CB 4.12Å; V24-T1008 HydrophobicContact CG2-CG2 3.74Å
25I89.6Confident87.6Confident28 Ų2841.2 Ų41.214%0.14422%0.218CC..Hα-helixtrans-63.4-47.1174.7-69.1162.9000110.5S21 H22 H27 E28 E29 R949 I952S21-I25 WeakPolarHBondContact O-CD1 3.49Å; S21-I25 VanDerWaalsContact O-CG1 3.23Å; S21-I25 WeakPolarHBondContact O-CG1 3.36Å; S21-I25 PolarHBondContact O-N 3.35Å; H22-I25 PolarHBondContact O-N 3.28Å; I25-H27 VanDerWaalsContact C-N 3.29Å; I25-H27 PolarHBondContact O-N 2.96Å; I25-E28 WeakPolarHBondContact O-CB 3.46Å; I25-E28 PolarHBondContact O-N 3.5Å; I25-E28 VanDerWaalsContact O-N 3.14Å; I25-E29 WeakPolarHBondContact O-CG 3.35Å; I25-E29 PolarHBondContact O-N 3.17Å; I25-R949 HydrophobicContact CG1-CG 4.39Å; I25-R949 HydrophobicContact CG2-CG 3.99Å; I25-I952 HydrophobicContact CD1-CG2 4.02Å; I25-I952 HydrophobicContact CG1-CD1 4.09Å
26M88.4Confident87.3Confident33 Ų3341 Ų4116%0.16322%0.221CC..Hα-helixtrans-63-35.9178-72-175.1-70.800112.4H22 L23 E29 G30 I37 P38 L40H22-M26 WeakPolarHBondContact O-CE 3.47Å; H22-M26 WeakPolarHBondContact O-CG 3.38Å; H22-M26 PolarHBondContact O-N 3.23Å; L23-M26 HydrophobicContact CD2-CE 3.65Å; L23-M26 PolarHBondContact O-N 3.44Å; M26-E29 PolarHBondContact O-N 2.95Å; M26-G30 PolarHBondContact O-N 3.5Å; M26-G30 VanDerWaalsContact O-N 3.1Å; M26-I37 HydrophobicContact CB-CG2 4.48Å; M26-P38 HydrophobicContact SD-CG 3.9Å; M26-L40 HydrophobicContact CE-CD2 3.43Å; M26-L40 VanDerWaalsContact CE-CD2 3.43Å; M26-L40 HydrophobicContact SD-CD2 3.56Å; M26-L40 VanDerWaalsContact SD-CD2 3.56Å
27H89.3Confident87.2Confident2 Ų240.8 Ų40.81%0.00922%0.219CC..Hα-helixtrans-59.1-48.8171.6172-82.9000111.8L23 V24 I25 E29 G30 E31 R105 L108 I109 R1012L23-H27 PolarHBondContact O-N 2.91Å; V24-H27 WeakPolarHBondContact O-CB 3.39Å; V24-H27 PolarHBondContact O-N 3.19Å; I25-H27 VanDerWaalsContact C-N 3.29Å; I25-H27 PolarHBondContact O-N 2.96Å; H27-E29 VanDerWaalsContact C-N 3.35Å; H27-E29 PolarHBondContact O-N 3.37Å; H27-G30 PolarHBondContact O-N 3.33Å; H27-E31 IonicContact CE1-OE2 3.51Å; H27-E31 PolarHBondContact CE1-OE2 2.99Å; H27-E31 IonicContact ND1-OE2 4Å; H27-E31 WeakPolarHBondContact O-CB 3.38Å; H27-E31 PolarHBondContact O-N 2.7Å; H27-R105 PolarHBondContact CD2-O 2.69Å; H27-R105 VanDerWaalsContact CD2-O 3.22Å; H27-R105 PolarHBondContact NE2-O 3.38Å; H27-L108 HydrophobicContact CB-CD2 4.1Å; H27-I109 HydrophobicContact CB-CD1 3.9Å; H27-I109 HydrophobicContact CB-CG1 4.05Å; H27-I109 WeakPolarHBondContact CD2-CG1 3.46Å; H27-I109 WeakPolarHBondContact NE2-CG1 3.49Å; H27-R1012 PolarHBondContact CE1-NH2 3.25Å; H27-R1012 VanDerWaalsContact CE1-NH2 3.28Å; H27-R1012 PolarHBondContact NE2-NH2 3.13Å
28E86.4Confident87.1Confident8 Ų844.3 Ų44.34%0.03724%0.242CC..Hα-helixtrans-62.8-40.1-179.8-16874.2167.200112V24 I25 G30 E31 V32 N947 K948 R949V24-E28 PolarHBondContact O-N 3.01Å; V24-E28 VanDerWaalsContact O-N 3.07Å; I25-E28 WeakPolarHBondContact O-CB 3.46Å; I25-E28 PolarHBondContact O-N 3.5Å; I25-E28 VanDerWaalsContact O-N 3.14Å; E28-G30 VanDerWaalsContact C-N 3.29Å; E28-G30 PolarHBondContact O-N 3.46Å; E28-E31 PolarHBondContact O-N 2.85Å; E28-V32 HydrophobicContact CG-CG2 4.1Å; E28-V32 WeakPolarHBondContact O-CB 3.38Å; E28-V32 PolarHBondContact O-N 2.95Å; E28-N947 WeakPolarHBondContact OE1-CA 3.18Å; E28-K948 HydrophobicContact CB-CB 4.3Å; E28-K948 HydrophobicContact CG-CB 4.16Å; E28-K948 PolarHBondContact OE1-N 2.85Å; E28-K948 WeakPolarHBondContact OE2-CD 3.4Å; E28-K948 WeakPolarHBondContact OE2-CE 3.27Å; E28-K948 VanDerWaalsContact OE2-CG 3.22Å; E28-K948 WeakPolarHBondContact OE2-CG 3.46Å; E28-K948 IonicContact OE2-NZ 2.65Å; E28-K948 PolarHBondContact OE2-NZ 2.71Å; E28-R949 HydrophobicContact CB-CB 4.4Å; E28-R949 HydrophobicContact CG-CB 4.18Å
29E84Confident87Confident59 Ų5942.6 Ų42.628%0.27624%0.236SC..Hα-helixtrans-62.9-36.5175.1-71.7179.4165.800112.4I25 M26 H27 D33 G34 K35 R949I25-E29 WeakPolarHBondContact O-CG 3.35Å; I25-E29 PolarHBondContact O-N 3.17Å; M26-E29 PolarHBondContact O-N 2.95Å; H27-E29 VanDerWaalsContact C-N 3.35Å; H27-E29 PolarHBondContact O-N 3.37Å; E29-D33 VanDerWaalsContact O-CB 3.3Å; E29-D33 WeakPolarHBondContact O-CB 3.47Å; E29-D33 PolarHBondContact O-N 3.24Å; E29-G34 PolarHBondContact O-N 3.46Å; E29-K35 PolarHBondContact O-N 3.37Å; E29-R949 IonicContact OE1-NH1 2.73Å; E29-R949 PolarHBondContact OE1-NH1 3.36Å
30G82.3Confident87.1Confident1 Ų140 Ų401%0.0122%0.224CC..Hα-helixtrans-68-42172.500000112.7M26 H27 E28 G34 K35 R105M26-G30 PolarHBondContact O-N 3.5Å; M26-G30 VanDerWaalsContact O-N 3.1Å; H27-G30 PolarHBondContact O-N 3.33Å; E28-G30 VanDerWaalsContact C-N 3.29Å; E28-G30 PolarHBondContact O-N 3.46Å; G30-G34 WeakPolarHBondContact O-CA 3.45Å; G30-K35 WeakPolarHBondContact CA-O 3.4Å; G30-R105 VanDerWaalsContact C-CZ 3.47Å; G30-R105 PolarHBondContact O-NH1 2.72Å; G30-R105 PolarHBondContact O-NH2 2.79Å; G30-R105 VanDerWaalsContact O-NH2 3.07Å
31E80.9Confident86.9Confident96 Ų9642.3 Ų42.345%0.44924%0.24SC..Hα-helixtrans-73.2-48.8-175.8-173.7173.6-154.900112.9H27 E28 K948H27-E31 IonicContact CE1-OE2 3.51Å; H27-E31 PolarHBondContact CE1-OE2 2.99Å; H27-E31 IonicContact ND1-OE2 4Å; H27-E31 WeakPolarHBondContact O-CB 3.38Å; H27-E31 PolarHBondContact O-N 2.7Å; E28-E31 PolarHBondContact O-N 2.85Å; E31-K948 IonicContact OE2-NZ 2.6Å; E31-K948 PolarHBondContact OE2-NZ 2.77Å
32V79.8Confident86.9Confident94 Ų9445.8 Ų45.857%0.5727%0.269SS*.Hα-helixtrans-92.4-48.1-172.5-179.90000112.1E28 G34E28-V32 HydrophobicContact CG-CG2 4.1Å; E28-V32 WeakPolarHBondContact O-CB 3.38Å; E28-V32 PolarHBondContact O-N 2.95Å; V32-G34 VanDerWaalsContact C-N 3.27Å; V32-G34 PolarHBondContact O-N 3.14Å
33D80.5Confident86.9Confident62 Ų6243.7 Ų43.733%0.33226%0.264SS..SBendtrans-83.9-6.4-177.1-57.5-18.9000111.8E29 K35 R949E29-D33 VanDerWaalsContact O-CB 3.3Å; E29-D33 WeakPolarHBondContact O-CB 3.47Å; E29-D33 PolarHBondContact O-N 3.24Å; D33-K35 HydrophobicContact CB-CD 3.83Å; D33-K35 HydrophobicContact CB-CG 3.87Å; D33-K35 PolarHBondContact O-N 2.92Å; D33-K35 IonicContact OD2-NZ 2.82Å; D33-K35 PolarHBondContact OD2-NZ 2.87Å; D33-R949 IonicContact OD1-NH2 2.79Å; D33-R949 IonicContact OD2-NH1 3.54Å; D33-R949 PolarHBondContact OD2-NH1 2.93Å; D33-R949 IonicContact OD2-NH2 2.72Å
34G80Confident86.9Confident44 Ų4443.9 Ų43.945%0.45427%0.265SS..  trans62.622.3-177.400000113.5E29 G30 V32 Y100E29-G34 PolarHBondContact O-N 3.46Å; G30-G34 WeakPolarHBondContact O-CA 3.45Å; V32-G34 VanDerWaalsContact C-N 3.27Å; V32-G34 PolarHBondContact O-N 3.14Å; G34-Y100 WeakPolarHBondContact O-CE1 3.35Å
35K83.4Confident86.9Confident106 Ų10646.3 Ų46.346%0.46129%0.285SS..PPolyproline II helixtrans-79.5152.2-176.9-71.1171.7-177.5153.60111.6E29 G30 D33 I37E29-K35 PolarHBondContact O-N 3.37Å; G30-K35 WeakPolarHBondContact CA-O 3.4Å; D33-K35 HydrophobicContact CB-CD 3.83Å; D33-K35 HydrophobicContact CB-CG 3.87Å; D33-K35 PolarHBondContact O-N 2.92Å; D33-K35 IonicContact OD2-NZ 2.82Å; D33-K35 PolarHBondContact OD2-NZ 2.87Å; K35-I37 PolarHBondContact O-N 3.25Å
36A85.8Confident86.8Confident48 Ų4847.2 Ų47.240%0.39730%0.297SS..PPolyproline II helixtrans-64.1127168.100000109.8P99 Y100A36-P99 HydrophobicContact CB-CB 3.72Å; A36-Y100 HydrophobicContact CB-CE1 4.27Å; A36-Y100 HydrophobicContact CB-CE2 4.07Å
37I88.1Confident86.9Confident5 Ų545.8 Ų45.83%0.02629%0.29CS..PPolyproline II helixtrans-78129.4174.4-58.2179000108.4M26 K35 L40 L95 P99 R105M26-I37 HydrophobicContact CB-CG2 4.48Å; K35-I37 PolarHBondContact O-N 3.25Å; I37-L40 HydrophobicContact CG2-CD1 3.94Å; I37-L40 HydrophobicContact CG2-CD2 4.03Å; I37-L40 HydrophobicContact CG2-CG 4.03Å; I37-L95 HydrophobicContact CB-CD1 4.42Å; I37-L95 HydrophobicContact CB-CD2 4.16Å; I37-L95 HydrophobicContact CD1-CD1 4.27Å; I37-L95 HydrophobicContact CD1-CD2 3.99Å; I37-L95 HydrophobicContact CG1-CD2 4.49Å; I37-L95 HydrophobicContact CG2-CD1 3.99Å; I37-P99 PolarHBondContact N-O 3.35Å; I37-R105 HydrophobicContact CD1-CG 3.81Å
38P88.6Confident86.9Confident78 Ų7850.1 Ų50.151%0.50631%0.31SS..PPolyproline II helixtrans-68.7169.9-178.429-36000112.7M26 L40M26-P38 HydrophobicContact SD-CG 3.9Å; P38-L40 HydrophobicContact CG-CD2 4.47Å; P38-L40 WeakPolarHBondContact O-CD2 3.37Å; P38-L40 WeakPolarHBondContact O-CG 3.14Å; P38-L40 PolarHBondContact O-N 2.94Å
39D89.8Confident86.9Confident78 Ų7852.6 Ų52.642%0.41733%0.332SS..  trans-59.1112.6176.3-173.4-8.4000110.7S41 K96D39-S41 WeakPolarHBondContact OD1-CB 3.4Å; D39-S41 PolarHBondContact OD1-N 3.02Å; D39-S41 PolarHBondContact OD1-OG 3.28Å; D39-K96 WeakPolarHBondContact OD2-CE 3.5Å; D39-K96 IonicContact OD2-NZ 3.38Å; D39-K96 PolarHBondContact OD2-NZ 3.21Å
40L92.4Very high87Confident0 Ų052 Ų520%034%0.337CS..  trans-89.53.8-178.2-57.6-171.5000113.6M26 I37 P38 A42 P43 V44 A92 L95 L108M26-L40 HydrophobicContact CE-CD2 3.43Å; M26-L40 VanDerWaalsContact CE-CD2 3.43Å; M26-L40 HydrophobicContact SD-CD2 3.56Å; M26-L40 VanDerWaalsContact SD-CD2 3.56Å; I37-L40 HydrophobicContact CG2-CD1 3.94Å; I37-L40 HydrophobicContact CG2-CD2 4.03Å; I37-L40 HydrophobicContact CG2-CG 4.03Å; P38-L40 HydrophobicContact CG-CD2 4.47Å; P38-L40 WeakPolarHBondContact O-CD2 3.37Å; P38-L40 WeakPolarHBondContact O-CG 3.14Å; P38-L40 PolarHBondContact O-N 2.94Å; L40-A42 VanDerWaalsContact C-N 3.32Å; L40-A42 PolarHBondContact O-N 3.02Å; L40-P43 WeakPolarHBondContact O-CD 2.97Å; L40-V44 HydrophobicContact CB-CG2 4.17Å; L40-V44 WeakPolarHBondContact O-CB 3.4Å; L40-V44 WeakPolarHBondContact O-CG2 3.43Å; L40-V44 PolarHBondContact O-N 3.4Å; L40-A92 HydrophobicContact CB-CB 4.04Å; L40-L95 HydrophobicContact CD1-CD1 3.64Å; L40-L95 HydrophobicContact CG-CD1 4.37Å; L40-L108 HydrophobicContact CD1-CD1 3.83Å; L40-L108 HydrophobicContact CD1-CD2 3.69Å; L40-L108 HydrophobicContact CD1-CG 4.43Å
41S90.6Very high87.3Confident49 Ų4952 Ų5234%0.34334%0.337SS..Hα-helixtrans-55.4-45.1-175.9-58.40000112.4D39 A45D39-S41 WeakPolarHBondContact OD1-CB 3.4Å; D39-S41 PolarHBondContact OD1-N 3.02Å; D39-S41 PolarHBondContact OD1-OG 3.28Å; S41-A45 WeakPolarHBondContact O-CB 3.44Å; S41-A45 PolarHBondContact O-N 3.45Å
42A91.4Very high87.6Confident75 Ų7550.6 Ų50.662%0.6234%0.338SS*.Hα-helixtrans-71.4-49.9179.500000113L40 V44 A45 A46L40-A42 VanDerWaalsContact C-N 3.32Å; L40-A42 PolarHBondContact O-N 3.02Å; A42-V44 VanDerWaalsContact C-N 3.34Å; A42-V44 PolarHBondContact O-N 3.44Å; A42-A45 PolarHBondContact O-N 3.34Å; A42-A46 PolarHBondContact O-N 3.1Å
43P90.4Very high88Confident51 Ų5150.5 Ų50.533%0.33133%0.334SS..Hα-helixtrans-55-43.5173.3-28.333.2000114.1L23 L40 A46 V47L23-P43 HydrophobicContact CD2-CB 3.87Å; L40-P43 WeakPolarHBondContact O-CD 2.97Å; P43-A46 WeakPolarHBondContact O-CB 3.42Å; P43-A46 PolarHBondContact O-N 2.98Å; P43-V47 PolarHBondContact O-N 2.83Å
44V92.4Very high88.4Confident5 Ų548.9 Ų48.93%0.0333%0.326CS..Hα-helixtrans-70.5-37.5-179.9168.60000111.6L23 L40 A42 A46 V47 Q48 L88 V89 A92L23-V44 HydrophobicContact CD1-CG2 4.37Å; L23-V44 HydrophobicContact CD2-CG2 4.48Å; L40-V44 HydrophobicContact CB-CG2 4.17Å; L40-V44 WeakPolarHBondContact O-CB 3.4Å; L40-V44 WeakPolarHBondContact O-CG2 3.43Å; L40-V44 PolarHBondContact O-N 3.4Å; A42-V44 VanDerWaalsContact C-N 3.34Å; A42-V44 PolarHBondContact O-N 3.44Å; V44-A46 VanDerWaalsContact C-N 3.29Å; V44-A46 PolarHBondContact O-N 3.13Å; V44-V47 PolarHBondContact O-N 3.16Å; V44-Q48 PolarHBondContact O-N 3.33Å; V44-L88 HydrophobicContact CG1-CB 3.75Å; V44-L88 HydrophobicContact CG2-CB 4.31Å; V44-V89 HydrophobicContact CG1-CG2 3.87Å; V44-A92 HydrophobicContact CB-CB 4.41Å; V44-A92 HydrophobicContact CG2-CB 4.17Å
45A90Very high89Confident51 Ų5147.3 Ų47.342%0.42131%0.307SS..Hα-helixtrans-62.1-36.9173.700000112.1S41 A42 Q48 A49S41-A45 WeakPolarHBondContact O-CB 3.44Å; S41-A45 PolarHBondContact O-N 3.45Å; A42-A45 PolarHBondContact O-N 3.34Å; A45-Q48 PolarHBondContact O-N 3.36Å; A45-A49 WeakPolarHBondContact O-CB 3.48Å; A45-A49 PolarHBondContact O-N 3.26Å
46A88.6Confident89.4Confident46 Ų4649 Ų4938%0.3831%0.31SS..Hα-helixtrans-63.8-44.2174.800000112Q19 A42 P43 V44 Q48 A49 A50Q19-A46 VanDerWaalsContact OE1-C 3.28Å; A42-A46 PolarHBondContact O-N 3.1Å; P43-A46 WeakPolarHBondContact O-CB 3.42Å; P43-A46 PolarHBondContact O-N 2.98Å; V44-A46 VanDerWaalsContact C-N 3.29Å; V44-A46 PolarHBondContact O-N 3.13Å; A46-Q48 VanDerWaalsContact C-N 3.34Å; A46-Q48 PolarHBondContact O-N 3.32Å; A46-A49 PolarHBondContact O-N 2.84Å; A46-A50 PolarHBondContact O-N 3.5Å
47V89.8Confident89.7Confident4 Ų449.9 Ų49.92%0.02431%0.311CS..Hα-helixtrans-61-44.8175175.30000110.6Q19 I20 L23 P43 V44 A49 A50 V51 L88 I115Q19-V47 HydrophobicContact CB-CG2 3.85Å; I20-V47 HydrophobicContact CD1-CG1 3.93Å; I20-V47 HydrophobicContact CD1-CG2 4.16Å; L23-V47 HydrophobicContact CD1-CG2 4.26Å; P43-V47 PolarHBondContact O-N 2.83Å; V44-V47 PolarHBondContact O-N 3.16Å; V47-A49 PolarHBondContact O-N 3.05Å; V47-A50 WeakPolarHBondContact O-CB 3.47Å; V47-A50 PolarHBondContact O-N 3.46Å; V47-V51 PolarHBondContact O-N 3.4Å; V47-L88 HydrophobicContact CG1-CD1 4.07Å; V47-I115 HydrophobicContact CG1-CD1 4.45Å; V47-I115 HydrophobicContact CG1-CG1 4.16Å; V47-I115 HydrophobicContact CG1-CG2 4.11Å
48Q89.3Confident89.8Confident92 Ų9249.7 Ų49.743%0.4331%0.31SS..Hα-helixtrans-61.5-43.6178.1-171.717815.800111.7V44 A45 A46 A50 V51 S52V44-Q48 PolarHBondContact O-N 3.33Å; A45-Q48 PolarHBondContact O-N 3.36Å; A46-Q48 VanDerWaalsContact C-N 3.34Å; A46-Q48 PolarHBondContact O-N 3.32Å; Q48-A50 VanDerWaalsContact C-N 3.32Å; Q48-A50 PolarHBondContact O-N 2.93Å; Q48-V51 PolarHBondContact O-N 3.1Å; Q48-S52 WeakPolarHBondContact O-CB 3.4Å; Q48-S52 PolarHBondContact O-N 3.21Å
49A87.8Confident90Very high61 Ų6149.4 Ų49.450%0.50430%0.301SS..Hα-helixtrans-62.3-40176.500000111.9A45 A46 V47 V51A45-A49 WeakPolarHBondContact O-CB 3.48Å; A45-A49 PolarHBondContact O-N 3.26Å; A46-A49 PolarHBondContact O-N 2.84Å; V47-A49 PolarHBondContact O-N 3.05Å; A49-V51 PolarHBondContact O-N 3.37Å
50A84.8Confident90.2Very high46 Ų4649.5 Ų49.538%0.3830%0.301SS..Hα-helixtrans-62.1-40.7179.200000112.6A46 V47 Q48A46-A50 PolarHBondContact O-N 3.5Å; V47-A50 WeakPolarHBondContact O-CB 3.47Å; V47-A50 PolarHBondContact O-N 3.46Å; Q48-A50 VanDerWaalsContact C-N 3.32Å; Q48-A50 PolarHBondContact O-N 2.93Å
51V88.3Confident90.1Very high2 Ų251.3 Ų51.31%0.01231%0.312CS..Hα-helixtrans-93.3-19-178-570000114.3V47 Q48 A49 N53 L54 V55 V81 C85 I115V47-V51 PolarHBondContact O-N 3.4Å; Q48-V51 PolarHBondContact O-N 3.1Å; A49-V51 PolarHBondContact O-N 3.37Å; V51-N53 PolarHBondContact O-N 3.34Å; V51-L54 PolarHBondContact O-N 2.87Å; V51-L54 VanDerWaalsContact O-N 3.15Å; V51-V55 PolarHBondContact O-N 3.49Å; V51-V81 HydrophobicContact CB-CG1 3.83Å; V51-V81 HydrophobicContact CG1-CG1 4.47Å; V51-V81 HydrophobicContact CG2-CG1 3.7Å; V51-C85 WeakPolarHBondContact CG2-SG 3.48Å; V51-I115 HydrophobicContact CG1-CG2 4.11Å; V51-I115 HydrophobicContact CG2-CD1 4.26Å
52S88.5Confident90.1Very high66 Ų6650.1 Ų50.146%0.46230%0.303SS..Hα-helixtrans-61.3-42.2-176.9176.50000112.5Q48 L54 V55 R56Q48-S52 WeakPolarHBondContact O-CB 3.4Å; Q48-S52 PolarHBondContact O-N 3.21Å; S52-L54 VanDerWaalsContact C-N 3.32Å; S52-L54 PolarHBondContact O-N 3.42Å; S52-V55 PolarHBondContact O-N 3.28Å; S52-R56 WeakPolarHBondContact O-CB 3.35Å; S52-R56 PolarHBondContact O-N 2.99Å
53N87.6Confident90Very high91 Ų9154 Ų5449%0.48731%0.308SS..Hα-helixtrans-62.5-40.6176-83-41.1000111.9V51 R56 V57V51-N53 PolarHBondContact O-N 3.34Å; N53-R56 PolarHBondContact O-N 3.21Å; N53-R56 PolarHBondContact OD1-NH2 3.34Å; N53-V57 WeakPolarHBondContact O-CG2 3.15Å; N53-V57 PolarHBondContact O-N 3.12Å
54L89.1Confident90Very high29 Ų2957.1 Ų57.115%0.15233%0.326CS..Hα-helixtrans-66.4-42.7-179.8-171.566000111.8V51 S52 V57 G58 T119 L122 L123 F126V51-L54 PolarHBondContact O-N 2.87Å; V51-L54 VanDerWaalsContact O-N 3.15Å; S52-L54 VanDerWaalsContact C-N 3.32Å; S52-L54 PolarHBondContact O-N 3.42Å; L54-V57 PolarHBondContact O-N 3.13Å; L54-G58 PolarHBondContact O-N 3.49Å; L54-T119 HydrophobicContact CD2-CG2 3.78Å; L54-L122 HydrophobicContact CB-CD2 4.28Å; L54-L122 HydrophobicContact CD2-CD2 3.61Å; L54-L122 HydrophobicContact CD2-CG 3.93Å; L54-L122 HydrophobicContact CG-CD2 3.54Å; L54-L122 HydrophobicContact CG-CG 3.92Å; L54-L123 HydrophobicContact CD1-CD2 3.78Å; L54-L123 HydrophobicContact CD2-CD2 3.91Å; L54-L123 HydrophobicContact CD2-CG 4.04Å; L54-L123 HydrophobicContact CG-CD2 4.49Å; L54-F126 HydrophobicContact CD1-CE2 4.46Å
55V92.3Very high89.9Confident10 Ų1058.3 Ų58.36%0.06133%0.334CS..Hα-helixtrans-63-43175168.50000111.4V51 S52 G58 K59 F78 V81 E82 L122V51-V55 PolarHBondContact O-N 3.49Å; S52-V55 PolarHBondContact O-N 3.28Å; V55-G58 PolarHBondContact O-N 2.67Å; V55-K59 HydrophobicContact CG1-CD 4.38Å; V55-K59 WeakPolarHBondContact O-CG 3.19Å; V55-K59 PolarHBondContact O-N 3.48Å; V55-F78 HydrophobicContact CB-CB 4.47Å; V55-F78 HydrophobicContact CG1-CB 4.04Å; V55-F78 HydrophobicContact CG2-CB 4.15Å; V55-V81 HydrophobicContact CG2-CB 3.94Å; V55-V81 HydrophobicContact CG2-CG1 3.64Å; V55-E82 HydrophobicContact CG1-CG 4.09Å; V55-L122 HydrophobicContact CG2-CD2 4.17Å
56R92.6Very high89.9Confident141 Ų14164.2 Ų64.253%0.53235%0.353SS..Hα-helixtrans-59.1-51177.1-180173.261.2114.4-2.9111.3S52 N53 G58 K59 D60S52-R56 WeakPolarHBondContact O-CB 3.35Å; S52-R56 PolarHBondContact O-N 2.99Å; N53-R56 PolarHBondContact O-N 3.21Å; N53-R56 PolarHBondContact OD1-NH2 3.34Å; R56-G58 VanDerWaalsContact C-N 3.27Å; R56-G58 PolarHBondContact O-N 2.86Å; R56-K59 PolarHBondContact O-N 3.48Å; R56-K59 VanDerWaalsContact O-N 3.15Å; R56-D60 VanDerWaalsContact O-CG 3.3Å; R56-D60 PolarHBondContact O-N 3.44Å
57V91.2Very high89.9Confident68 Ų6863.5 Ų63.541%0.41234%0.342SS..Hα-helixtrans-59.9-39.1176.4174.70000111.2N53 L54 D60 T61 F126N53-V57 WeakPolarHBondContact O-CG2 3.15Å; N53-V57 PolarHBondContact O-N 3.12Å; L54-V57 PolarHBondContact O-N 3.13Å; V57-D60 PolarHBondContact O-N 3.05Å; V57-T61 VanDerWaalsContact O-CB 3.31Å; V57-T61 WeakPolarHBondContact O-CB 3.28Å; V57-T61 PolarHBondContact O-N 3.44Å; V57-T61 PolarHBondContact O-OG1 3.45Å; V57-F126 HydrophobicContact CG1-CZ 4.03Å
58G90.5Very high89.7Confident0 Ų069.5 Ų69.50%037%0.37CS..Hα-helixtrans-58-46.8173.400000113.3L54 V55 R56 T61 V62L54-G58 PolarHBondContact O-N 3.49Å; V55-G58 PolarHBondContact O-N 2.67Å; R56-G58 VanDerWaalsContact C-N 3.27Å; R56-G58 PolarHBondContact O-N 2.86Å; G58-T61 PolarHBondContact O-N 3.5Å; G58-V62 WeakPolarHBondContact O-CG2 3.36Å; G58-V62 PolarHBondContact O-N 3.46Å
59K92.8Very high89.5Confident73 Ų7368.4 Ų68.432%0.31737%0.366SS..Hα-helixtrans-64.4-46.2177.5-71.6-178.5-179.3-177.40112V55 R56 T61 V62 Q63 F78 E82V55-K59 HydrophobicContact CG1-CD 4.38Å; V55-K59 WeakPolarHBondContact O-CG 3.19Å; V55-K59 PolarHBondContact O-N 3.48Å; R56-K59 PolarHBondContact O-N 3.48Å; R56-K59 VanDerWaalsContact O-N 3.15Å; K59-T61 VanDerWaalsContact C-N 3.3Å; K59-T61 PolarHBondContact O-N 3.33Å; K59-V62 PolarHBondContact O-N 2.88Å; K59-Q63 WeakPolarHBondContact O-CG 3.47Å; K59-Q63 PolarHBondContact O-N 2.91Å; K59-F78 HydrophobicContact CG-CD1 4.33Å; K59-F78 HydrophobicContact CG-CD2 4.45Å; K59-F78 HydrophobicContact CG-CE1 4.06Å; K59-F78 HydrophobicContact CG-CE2 4.23Å; K59-F78 HydrophobicContact CG-CZ 4.01Å; K59-E82 WeakPolarHBondContact CE-OE1 3.44Å; K59-E82 IonicContact NZ-OE1 3.83Å; K59-E82 PolarHBondContact NZ-OE1 2.86Å; K59-E82 IonicContact NZ-OE2 2.83Å
60D93Very high89.5Confident80 Ų8065.7 Ų65.743%0.42834%0.344SS..Hα-helixtrans-63.1-38.7179.3-64.1-16.1000111.1R56 V57 Q63 T64R56-D60 VanDerWaalsContact O-CG 3.3Å; R56-D60 PolarHBondContact O-N 3.44Å; V57-D60 PolarHBondContact O-N 3.05Å; D60-Q63 PolarHBondContact O-N 3.3Å; D60-T64 PolarHBondContact O-N 3.26Å; D60-T64 PolarHBondContact O-OG1 3.05Å
61T90.7Very high89.7Confident37 Ų3767.2 Ų67.223%0.22734%0.341CS..Hα-helixtrans-68.6-40.5178.5-53.70000111.9V57 G58 K59 Q63 T64 T65 M70 F126V57-T61 VanDerWaalsContact O-CB 3.31Å; V57-T61 WeakPolarHBondContact O-CB 3.28Å; V57-T61 PolarHBondContact O-N 3.44Å; V57-T61 PolarHBondContact O-OG1 3.45Å; G58-T61 PolarHBondContact O-N 3.5Å; K59-T61 VanDerWaalsContact C-N 3.3Å; K59-T61 PolarHBondContact O-N 3.33Å; T61-Q63 VanDerWaalsContact C-N 3.28Å; T61-Q63 PolarHBondContact O-N 3.36Å; T61-T64 PolarHBondContact O-N 3.34Å; T61-T64 PolarHBondContact O-OG1 3.36Å; T61-T65 WeakPolarHBondContact O-CB 3.44Å; T61-T65 WeakPolarHBondContact O-CG2 3.26Å; T61-T65 PolarHBondContact O-N 2.87Å; T61-M70 HydrophobicContact CG2-CE 3.4Å; T61-M70 VanDerWaalsContact CG2-CE 3.4Å; T61-M70 HydrophobicContact CG2-SD 3.9Å; T61-F126 HydrophobicContact CG2-CE1 4.04Å
62V91.2Very high89.6Confident25 Ų2572.2 Ų72.215%0.15236%0.36CS..Hα-helixtrans-63.7-34.4178.1167.20000112.6G58 K59 T64 K71 M74 F78G58-V62 WeakPolarHBondContact O-CG2 3.36Å; G58-V62 PolarHBondContact O-N 3.46Å; K59-V62 PolarHBondContact O-N 2.88Å; V62-T64 VanDerWaalsContact C-N 3.34Å; V62-K71 HydrophobicContact CG1-CG 4.45Å; V62-M74 HydrophobicContact CG2-CB 3.43Å; V62-M74 VanDerWaalsContact CG2-CB 3.43Å; V62-M74 HydrophobicContact CG2-CG 3.41Å; V62-M74 VanDerWaalsContact CG2-CG 3.41Å; V62-F78 HydrophobicContact CG2-CE1 4.34Å
63Q89.4Confident89.5Confident155 Ų15571.1 Ų71.172%0.72435%0.349SS*.Hα-helixtrans-70.6-32.5178.4-70.1-179.2600112.5K59 D60 T61K59-Q63 WeakPolarHBondContact O-CG 3.47Å; K59-Q63 PolarHBondContact O-N 2.91Å; D60-Q63 PolarHBondContact O-N 3.3Å; T61-Q63 VanDerWaalsContact C-N 3.28Å; T61-Q63 PolarHBondContact O-N 3.36Å
64T90.8Very high89.6Confident117 Ų11766.8 Ų66.872%0.71833%0.326SS*.Hα-helixtrans-99.7-20.1-173.152.80000113.9D60 T61 V62D60-T64 PolarHBondContact O-N 3.26Å; D60-T64 PolarHBondContact O-OG1 3.05Å; T61-T64 PolarHBondContact O-N 3.34Å; T61-T64 PolarHBondContact O-OG1 3.36Å; V62-T64 VanDerWaalsContact C-N 3.34Å
65T89.9Confident89.8Confident30 Ų3066.9 Ų66.918%0.18433%0.328CS..  trans-73.1150.1-177.9-167.30000112.7T61 D67 M70 K71T61-T65 WeakPolarHBondContact O-CB 3.44Å; T61-T65 WeakPolarHBondContact O-CG2 3.26Å; T61-T65 PolarHBondContact O-N 2.87Å; T65-D67 PolarHBondContact OG1-N 3.44Å; T65-M70 HydrophobicContact CG2-CB 4.41Å; T65-M70 HydrophobicContact CG2-CG 4.47Å; T65-M70 HydrophobicContact CG2-SD 4.3Å; T65-K71 HydrophobicContact CG2-CG 3.93Å; T65-K71 WeakPolarHBondContact O-CE 3.18Å; T65-K71 PolarHBondContact O-NZ 3.5Å
66E88.9Confident89.8Confident175 Ų17570.2 Ų70.282%0.81835%0.35SS*.  trans-96.7-9.5168.5-64.7-176.4168.200112.3Q68E66-Q68 PolarHBondContact O-N 3.21Å; E66-Q68 PolarHBondContact O-NE2 3.49Å; E66-Q68 VanDerWaalsContact O-NE2 3.12Å
67D88.8Confident89.7Confident31 Ų3163.8 Ų63.817%0.16633%0.327CS..  trans-69.5109.7-180-174-18.3000111T65 I69 M70 K71 R132T65-D67 PolarHBondContact OG1-N 3.44Å; D67-I69 VanDerWaalsContact C-N 3.33Å; D67-I69 PolarHBondContact O-N 3.48Å; D67-I69 WeakPolarHBondContact OD1-CB 3.47Å; D67-I69 PolarHBondContact OD1-N 3.13Å; D67-M70 HydrophobicContact CB-CB 3.89Å; D67-M70 PolarHBondContact O-N 3.3Å; D67-M70 PolarHBondContact OD1-N 3.29Å; D67-K71 WeakPolarHBondContact O-CG 3.17Å; D67-K71 PolarHBondContact O-N 3.41Å; D67-R132 IonicContact OD1-NE 2.8Å; D67-R132 IonicContact OD1-NH2 3.25Å; D67-R132 IonicContact OD2-CZ 3.43Å; D67-R132 VanDerWaalsContact OD2-CZ 3.3Å; D67-R132 IonicContact OD2-NE 2.71Å; D67-R132 PolarHBondContact OD2-NE 3.01Å; D67-R132 IonicContact OD2-NH2 3.77Å; D67-R132 PolarHBondContact OD2-NH2 3.42Å
68Q85.9Confident89.7Confident130 Ų13061.5 Ų61.561%0.60731%0.312SS*.Hα-helixtrans-66.9-32.4-178.9-59.9-56.1-52.300113E66 K71 R72E66-Q68 PolarHBondContact O-N 3.21Å; E66-Q68 PolarHBondContact O-NE2 3.49Å; E66-Q68 VanDerWaalsContact O-NE2 3.12Å; Q68-K71 PolarHBondContact O-N 2.92Å; Q68-R72 PolarHBondContact O-N 2.93Å; Q68-R72 VanDerWaalsContact O-N 3.11Å
69I84.7Confident89.8Confident69 Ų6965.2 Ų65.235%0.35433%0.331SS..Hα-helixtrans-68-45.5177.9-60.4173.8000108.4D67 K71 R72 D73D67-I69 VanDerWaalsContact C-N 3.33Å; D67-I69 PolarHBondContact O-N 3.48Å; D67-I69 WeakPolarHBondContact OD1-CB 3.47Å; D67-I69 PolarHBondContact OD1-N 3.13Å; I69-K71 VanDerWaalsContact C-N 3.34Å; I69-K71 PolarHBondContact O-N 3.28Å; I69-R72 WeakPolarHBondContact O-CB 3.38Å; I69-R72 PolarHBondContact O-N 3.3Å; I69-R72 VanDerWaalsContact O-N 3.13Å; I69-D73 WeakPolarHBondContact CG2-OD2 3.44Å; I69-D73 WeakPolarHBondContact O-CB 3.46Å; I69-D73 PolarHBondContact O-N 3.44Å
70M88.6Confident89.8Confident5 Ų565.3 Ų65.33%0.02533%0.331CS..Hα-helixtrans-61.7-40.4175.5-169.1174.5-169.400112.4T61 T65 D67 R72 D73 M74 T125 F126 A129T61-M70 HydrophobicContact CG2-CE 3.4Å; T61-M70 VanDerWaalsContact CG2-CE 3.4Å; T61-M70 HydrophobicContact CG2-SD 3.9Å; T65-M70 HydrophobicContact CG2-CB 4.41Å; T65-M70 HydrophobicContact CG2-CG 4.47Å; T65-M70 HydrophobicContact CG2-SD 4.3Å; D67-M70 HydrophobicContact CB-CB 3.89Å; D67-M70 PolarHBondContact O-N 3.3Å; D67-M70 PolarHBondContact OD1-N 3.29Å; M70-R72 PolarHBondContact O-N 3.47Å; M70-D73 PolarHBondContact O-N 3.26Å; M70-M74 HydrophobicContact CE-SD 3.89Å; M70-M74 HydrophobicContact CG-CB 4.31Å; M70-M74 WeakPolarHBondContact O-CB 3.5Å; M70-M74 PolarHBondContact O-N 3.05Å; M70-T125 HydrophobicContact CG-CG2 4.32Å; M70-F126 HydrophobicContact CE-CD1 3.6Å; M70-F126 HydrophobicContact CE-CE1 3.58Å; M70-F126 HydrophobicContact CE-CG 4.34Å; M70-F126 HydrophobicContact CE-CZ 4.3Å; M70-A129 HydrophobicContact SD-CB 4.08Å
71K88.4Confident89.8Confident77 Ų7761.5 Ų61.534%0.33531%0.311SS..Hα-helixtrans-60.6-33.8175.2-78.3-179174.2167.80113.3V62 T65 D67 Q68 I69 P75V62-K71 HydrophobicContact CG1-CG 4.45Å; T65-K71 HydrophobicContact CG2-CG 3.93Å; T65-K71 WeakPolarHBondContact O-CE 3.18Å; T65-K71 PolarHBondContact O-NZ 3.5Å; D67-K71 WeakPolarHBondContact O-CG 3.17Å; D67-K71 PolarHBondContact O-N 3.41Å; Q68-K71 PolarHBondContact O-N 2.92Å; I69-K71 VanDerWaalsContact C-N 3.34Å; I69-K71 PolarHBondContact O-N 3.28Å; K71-P75 WeakPolarHBondContact O-CD 3.37Å; K71-P75 WeakPolarHBondContact O-CG 3.29Å
72R86.1Confident90Very high107 Ų10763 Ų6340%0.40432%0.315SS..Hα-helixtrans-78.1-46.6178-175.3-167.168.3-177.2-1.2112Q68 I69 M70 P76Q68-R72 PolarHBondContact O-N 2.93Å; Q68-R72 VanDerWaalsContact O-N 3.11Å; I69-R72 WeakPolarHBondContact O-CB 3.38Å; I69-R72 PolarHBondContact O-N 3.3Å; I69-R72 VanDerWaalsContact O-N 3.13Å; M70-R72 PolarHBondContact O-N 3.47Å; R72-P76 VanDerWaalsContact O-CD 3.26Å; R72-P76 WeakPolarHBondContact O-CD 3.34Å
73D86.4Confident90.1Very high43 Ų4366.3 Ų66.323%0.2333%0.332CS..Hα-helixtrans-91-24.8-165.7-64.1-20.3000113.3I69 M70 P76 T125I69-D73 WeakPolarHBondContact CG2-OD2 3.44Å; I69-D73 WeakPolarHBondContact O-CB 3.46Å; I69-D73 PolarHBondContact O-N 3.44Å; M70-D73 PolarHBondContact O-N 3.26Å; D73-P76 WeakPolarHBondContact O-CD 3.27Å; D73-T125 HydrophobicContact CB-CG2 4Å
74M91.4Very high90.3Very high0 Ų059.1 Ų59.10%030%0.299CS..Hα-helixtrans-71.1-41.4-178.9-170.692.6-67.100114.7V62 M70 A77 F78 L122 T125 F126V62-M74 HydrophobicContact CG2-CB 3.43Å; V62-M74 VanDerWaalsContact CG2-CB 3.43Å; V62-M74 HydrophobicContact CG2-CG 3.41Å; V62-M74 VanDerWaalsContact CG2-CG 3.41Å; M70-M74 HydrophobicContact CE-SD 3.89Å; M70-M74 HydrophobicContact CG-CB 4.31Å; M70-M74 WeakPolarHBondContact O-CB 3.5Å; M70-M74 PolarHBondContact O-N 3.05Å; M74-A77 HydrophobicContact CE-CB 3.98Å; M74-A77 WeakPolarHBondContact O-CB 3.48Å; M74-A77 PolarHBondContact O-N 3.38Å; M74-F78 HydrophobicContact CG-CD1 3.87Å; M74-F78 HydrophobicContact CG-CE1 4.02Å; M74-F78 WeakPolarHBondContact O-CD1 3.14Å; M74-F78 PolarHBondContact O-N 3.28Å; M74-L122 HydrophobicContact CE-CB 4.36Å; M74-L122 HydrophobicContact CE-CD1 3.17Å; M74-L122 HydrophobicContact CE-CG 4.26Å; M74-L122 WeakPolarHBondContact CE-O 3.45Å; M74-L122 HydrophobicContact CG-CD1 4.46Å; M74-L122 HydrophobicContact SD-CD1 3.58Å; M74-L122 VanDerWaalsContact SD-CD1 3.58Å; M74-T125 HydrophobicContact CB-CG2 4.25Å; M74-T125 HydrophobicContact CE-CG2 3.81Å; M74-T125 HydrophobicContact SD-CG2 4.37Å; M74-F126 HydrophobicContact SD-CD2 4.2Å; M74-F126 HydrophobicContact SD-CE2 3.92Å; M74-F126 HydrophobicContact SD-CZ 4.2Å
75P93.3Very high90.5Very high31 Ų3154.2 Ų54.220%0.20127%0.27CS..Hα-helixtrans-59.7-46.3179.7-21.232.3000115.4K71 A77 F78 I79K71-P75 WeakPolarHBondContact O-CD 3.37Å; K71-P75 WeakPolarHBondContact O-CG 3.29Å; P75-A77 PolarHBondContact O-N 3.22Å; P75-F78 VanDerWaalsContact CA-CE1 3.45Å; P75-F78 HydrophobicContact CB-CE1 4.13Å; P75-F78 HydrophobicContact CB-CE2 4.11Å; P75-F78 HydrophobicContact CB-CZ 3.64Å; P75-F78 HydrophobicContact CG-CE1 4.25Å; P75-F78 HydrophobicContact CG-CZ 4.06Å; P75-F78 WeakPolarHBondContact O-CD2 3.43Å; P75-F78 PolarHBondContact O-N 3.12Å; P75-I79 WeakPolarHBondContact O-CB 3.43Å; P75-I79 WeakPolarHBondContact O-CD1 3.45Å; P75-I79 WeakPolarHBondContact O-CG1 3.15Å; P75-I79 PolarHBondContact O-N 2.99Å
76P91.1Very high90.7Very high80 Ų8056.4 Ų56.452%0.51928%0.283SS..Hα-helixtrans-54.8-38.8173.6-26.835000113.5R72 D73 K80R72-P76 VanDerWaalsContact O-CD 3.26Å; R72-P76 WeakPolarHBondContact O-CD 3.34Å; D73-P76 WeakPolarHBondContact O-CD 3.27Å; P76-K80 WeakPolarHBondContact O-CB 3.33Å; P76-K80 PolarHBondContact O-N 3.25Å; P76-K80 VanDerWaalsContact O-N 3.12Å
77A90.4Very high90.9Very high6 Ų651.6 Ų51.65%0.0526%0.259CS..Hα-helixtrans-67.6-50-178.400000112.4M74 P75 K80 V81 D121 L122M74-A77 HydrophobicContact CE-CB 3.98Å; M74-A77 WeakPolarHBondContact O-CB 3.48Å; M74-A77 PolarHBondContact O-N 3.38Å; P75-A77 PolarHBondContact O-N 3.22Å; A77-K80 WeakPolarHBondContact O-CB 3.31Å; A77-K80 PolarHBondContact O-N 3.01Å; A77-V81 PolarHBondContact O-N 3.14Å; A77-D121 HydrophobicContact CB-CB 4.08Å; A77-L122 HydrophobicContact CB-CB 4.18Å
78F92.4Very high91.2Very high20 Ų2050.1 Ų50.19%0.08825%0.252CS..Hα-helixtrans-72.4-30.3178.461.3-119.6000113.3V55 K59 V62 M74 P75 K80 V81 E82 L122V55-F78 HydrophobicContact CB-CB 4.47Å; V55-F78 HydrophobicContact CG1-CB 4.04Å; V55-F78 HydrophobicContact CG2-CB 4.15Å; K59-F78 HydrophobicContact CG-CD1 4.33Å; K59-F78 HydrophobicContact CG-CD2 4.45Å; K59-F78 HydrophobicContact CG-CE1 4.06Å; K59-F78 HydrophobicContact CG-CE2 4.23Å; K59-F78 HydrophobicContact CG-CZ 4.01Å; V62-F78 HydrophobicContact CG2-CE1 4.34Å; M74-F78 HydrophobicContact CG-CD1 3.87Å; M74-F78 HydrophobicContact CG-CE1 4.02Å; M74-F78 WeakPolarHBondContact O-CD1 3.14Å; M74-F78 PolarHBondContact O-N 3.28Å; P75-F78 VanDerWaalsContact CA-CE1 3.45Å; P75-F78 HydrophobicContact CB-CE1 4.13Å; P75-F78 HydrophobicContact CB-CE2 4.11Å; P75-F78 HydrophobicContact CB-CZ 3.64Å; P75-F78 HydrophobicContact CG-CE1 4.25Å; P75-F78 HydrophobicContact CG-CZ 4.06Å; P75-F78 WeakPolarHBondContact O-CD2 3.43Å; P75-F78 PolarHBondContact O-N 3.12Å; F78-K80 VanDerWaalsContact C-N 3.26Å; F78-K80 PolarHBondContact O-N 3.09Å; F78-V81 PolarHBondContact O-N 2.95Å; F78-E82 WeakPolarHBondContact O-CG 3.14Å; F78-E82 PolarHBondContact O-N 2.94Å; F78-L122 HydrophobicContact CB-CD1 4.42Å
79I92.6Very high91.6Very high78 Ų7847 Ų4740%0.424%0.241SC..Hα-helixtrans-61.1-39.6173.1-72.8166.8000110.1P75 E82 N83P75-I79 WeakPolarHBondContact O-CB 3.43Å; P75-I79 WeakPolarHBondContact O-CD1 3.45Å; P75-I79 WeakPolarHBondContact O-CG1 3.15Å; P75-I79 PolarHBondContact O-N 2.99Å; I79-E82 PolarHBondContact O-N 3.32Å; I79-N83 WeakPolarHBondContact CG2-ND2 3.34Å; I79-N83 WeakPolarHBondContact O-CB 3.48Å; I79-N83 PolarHBondContact O-N 3.33Å; I79-N83 PolarHBondContact O-ND2 3.16Å
80K91.9Very high92.1Very high76 Ų7648 Ų4833%0.3324%0.244SC..Hα-helixtrans-61.9-42.5175.9-172.9173.3174.8-177.10111.7P76 A77 F78 A84 S117 D121P76-K80 WeakPolarHBondContact O-CB 3.33Å; P76-K80 PolarHBondContact O-N 3.25Å; P76-K80 VanDerWaalsContact O-N 3.12Å; A77-K80 WeakPolarHBondContact O-CB 3.31Å; A77-K80 PolarHBondContact O-N 3.01Å; F78-K80 VanDerWaalsContact C-N 3.26Å; F78-K80 PolarHBondContact O-N 3.09Å; K80-A84 VanDerWaalsContact O-CB 3.3Å; K80-A84 WeakPolarHBondContact O-CB 3.33Å; K80-A84 PolarHBondContact O-N 2.99Å; K80-S117 WeakPolarHBondContact CE-OG 3.4Å; K80-S117 PolarHBondContact NZ-OG 2.84Å; K80-D121 IonicContact NZ-OD2 3.08Å; K80-D121 PolarHBondContact NZ-OD2 3.26Å
81V93.7Very high92.3Very high0 Ų047.8 Ų47.80%024%0.243CC..Hα-helixtrans-64.2-44.3175.1178.60000111.7V51 V55 A77 F78 A84 C85 I115 L122V51-V81 HydrophobicContact CB-CG1 3.83Å; V51-V81 HydrophobicContact CG1-CG1 4.47Å; V51-V81 HydrophobicContact CG2-CG1 3.7Å; V55-V81 HydrophobicContact CG2-CB 3.94Å; V55-V81 HydrophobicContact CG2-CG1 3.64Å; A77-V81 PolarHBondContact O-N 3.14Å; F78-V81 PolarHBondContact O-N 2.95Å; V81-A84 PolarHBondContact O-N 3.02Å; V81-C85 PolarHBondContact O-N 2.89Å; V81-C85 PolarHBondContact O-SG 3.28Å; V81-I115 HydrophobicContact CG1-CD1 4.25Å; V81-L122 HydrophobicContact CG2-CD2 4.26Å
82E93.8Very high92.6Very high67 Ų6744.3 Ų44.331%0.31323%0.229SC..Hα-helixtrans-64.8-43.1179.4-71.6-177.9135.600112.3V55 K59 F78 I79 A84 C85 T86V55-E82 HydrophobicContact CG1-CG 4.09Å; K59-E82 WeakPolarHBondContact CE-OE1 3.44Å; K59-E82 IonicContact NZ-OE1 3.83Å; K59-E82 PolarHBondContact NZ-OE1 2.86Å; K59-E82 IonicContact NZ-OE2 2.83Å; F78-E82 WeakPolarHBondContact O-CG 3.14Å; F78-E82 PolarHBondContact O-N 2.94Å; I79-E82 PolarHBondContact O-N 3.32Å; E82-A84 VanDerWaalsContact C-N 3.31Å; E82-A84 PolarHBondContact O-N 3.01Å; E82-C85 PolarHBondContact O-N 3.45Å; E82-T86 WeakPolarHBondContact O-CB 3.37Å; E82-T86 PolarHBondContact O-N 2.92Å; E82-T86 PolarHBondContact O-OG1 3.48Å
83N93.7Very high93Very high96 Ų9643 Ų4351%0.51324%0.236SC..Hα-helixtrans-61.9-41.3174.7-73.2-24.1000111.3I79 T86 K87I79-N83 WeakPolarHBondContact CG2-ND2 3.34Å; I79-N83 WeakPolarHBondContact O-CB 3.48Å; I79-N83 PolarHBondContact O-N 3.33Å; I79-N83 PolarHBondContact O-ND2 3.16Å; N83-T86 PolarHBondContact O-N 2.98Å; N83-K87 WeakPolarHBondContact O-CG 3.35Å; N83-K87 PolarHBondContact O-N 3.36Å
84A94.2Very high93.4Very high4 Ų443.9 Ų43.93%0.03324%0.24CC..Hα-helixtrans-65.6-43.7177.300000112.3K80 V81 E82 T86 K87 L88 I115K80-A84 VanDerWaalsContact O-CB 3.3Å; K80-A84 WeakPolarHBondContact O-CB 3.33Å; K80-A84 PolarHBondContact O-N 2.99Å; V81-A84 PolarHBondContact O-N 3.02Å; E82-A84 VanDerWaalsContact C-N 3.31Å; E82-A84 PolarHBondContact O-N 3.01Å; A84-T86 VanDerWaalsContact C-N 3.32Å; A84-T86 PolarHBondContact O-N 3.42Å; A84-K87 PolarHBondContact O-N 3.25Å; A84-L88 WeakPolarHBondContact O-CG 3.28Å; A84-L88 PolarHBondContact O-N 3.44Å; A84-I115 HydrophobicContact CB-CD1 3.75Å; A84-I115 HydrophobicContact CB-CG1 3.89Å
85C93.6Very high93.4Very high14 Ų1444 Ų4410%0.09524%0.24CC..Hα-helixtrans-58.3-45.2172.9-69.90000111.3V51 V81 E82 K87 L88 V89 I115V51-C85 WeakPolarHBondContact CG2-SG 3.48Å; V81-C85 PolarHBondContact O-N 2.89Å; V81-C85 PolarHBondContact O-SG 3.28Å; E82-C85 PolarHBondContact O-N 3.45Å; C85-K87 VanDerWaalsContact C-N 3.34Å; C85-K87 PolarHBondContact O-N 2.99Å; C85-L88 PolarHBondContact O-N 2.99Å; C85-V89 WeakPolarHBondContact O-CG2 3.47Å; C85-V89 PolarHBondContact O-N 3.01Å; C85-I115 WeakPolarHBondContact SG-CD1 3.48Å
86T94.1Very high93.4Very high75 Ų7548.5 Ų48.546%0.4626%0.257SS..Hα-helixtrans-60.9-44.3179.7-56.70000111.1E82 N83 A84 V89 Q90E82-T86 WeakPolarHBondContact O-CB 3.37Å; E82-T86 PolarHBondContact O-N 2.92Å; E82-T86 PolarHBondContact O-OG1 3.48Å; N83-T86 PolarHBondContact O-N 2.98Å; A84-T86 VanDerWaalsContact C-N 3.32Å; A84-T86 PolarHBondContact O-N 3.42Å; T86-V89 PolarHBondContact O-N 3.37Å; T86-Q90 WeakPolarHBondContact O-CB 3.28Å; T86-Q90 VanDerWaalsContact O-CG 3.29Å; T86-Q90 WeakPolarHBondContact O-CG 3.41Å; T86-Q90 PolarHBondContact O-N 3.33Å
87K94.4Very high93.5Very high74 Ų7449 Ų4932%0.32227%0.268SS..Hα-helixtrans-60.8-42.9174.5-75.1-177.1175.7-168.50112.5N83 A84 C85 Q90 A91 D110N83-K87 WeakPolarHBondContact O-CG 3.35Å; N83-K87 PolarHBondContact O-N 3.36Å; A84-K87 PolarHBondContact O-N 3.25Å; C85-K87 VanDerWaalsContact C-N 3.34Å; C85-K87 PolarHBondContact O-N 2.99Å; K87-Q90 PolarHBondContact O-N 2.86Å; K87-A91 WeakPolarHBondContact O-CB 3.18Å; K87-A91 PolarHBondContact O-N 3.44Å; K87-D110 HydrophobicContact CD-CB 4.43Å; K87-D110 IonicContact NZ-OD2 2.77Å
88L94.6Very high93.5Very high1 Ų152.4 Ų52.41%0.00529%0.285CS..Hα-helixtrans-63.4-42.3177.7-72.2177.8000112.3I20 L23 V44 V47 A84 C85 A91 A92 L108 I115I20-L88 HydrophobicContact CD1-CD1 4.47Å; L23-L88 HydrophobicContact CD1-CD2 4.21Å; V44-L88 HydrophobicContact CG1-CB 3.75Å; V44-L88 HydrophobicContact CG2-CB 4.31Å; V47-L88 HydrophobicContact CG1-CD1 4.07Å; A84-L88 WeakPolarHBondContact O-CG 3.28Å; A84-L88 PolarHBondContact O-N 3.44Å; C85-L88 PolarHBondContact O-N 2.99Å; L88-A91 PolarHBondContact O-N 3.33Å; L88-A92 WeakPolarHBondContact O-CB 3.33Å; L88-A92 PolarHBondContact O-N 2.94Å; L88-L108 HydrophobicContact CD2-CD1 3.82Å; L88-L108 WeakPolarHBondContact CD2-O 3.43Å; L88-I115 HydrophobicContact CD1-CD1 4.39Å; L88-I115 HydrophobicContact CD1-CG1 3.65Å
89V94.6Very high93.5Very high65 Ų6553.6 Ų53.639%0.39430%0.295SS..Hα-helixtrans-66.3-41.1177.5172.90000111V44 C85 T86 A92 S93V44-V89 HydrophobicContact CG1-CG2 3.87Å; C85-V89 WeakPolarHBondContact O-CG2 3.47Å; C85-V89 PolarHBondContact O-N 3.01Å; T86-V89 PolarHBondContact O-N 3.37Å; V89-A92 PolarHBondContact O-N 3.05Å; V89-S93 WeakPolarHBondContact O-CB 3.29Å; V89-S93 PolarHBondContact O-N 2.95Å
90Q94.5Very high93.3Very high89 Ų8956.1 Ų56.142%0.41630%0.301SS..Hα-helixtrans-61.3-46.6173.7-73.7174.8-9.500111.3T86 K87 A92 S93 M94 Y107T86-Q90 WeakPolarHBondContact O-CB 3.28Å; T86-Q90 VanDerWaalsContact O-CG 3.29Å; T86-Q90 WeakPolarHBondContact O-CG 3.41Å; T86-Q90 PolarHBondContact O-N 3.33Å; K87-Q90 PolarHBondContact O-N 2.86Å; Q90-A92 PolarHBondContact O-N 3.35Å; Q90-S93 PolarHBondContact O-N 3.5Å; Q90-M94 VanDerWaalsContact O-CG 3.23Å; Q90-M94 WeakPolarHBondContact O-CG 3.36Å; Q90-M94 PolarHBondContact O-N 3.4Å; Q90-Y107 HydrophobicContact CB-CD2 4.2Å
91A93.9Very high93.3Very high0 Ų053.2 Ų53.20%029%0.29CS..Hα-helixtrans-58.6-45.6175.900000112.1K87 L88 S93 M94 L95 A104 L108K87-A91 WeakPolarHBondContact O-CB 3.18Å; K87-A91 PolarHBondContact O-N 3.44Å; L88-A91 PolarHBondContact O-N 3.33Å; A91-S93 PolarHBondContact O-N 3.19Å; A91-M94 PolarHBondContact O-N 3.02Å; A91-L95 WeakPolarHBondContact O-CB 3.37Å; A91-L95 WeakPolarHBondContact O-CG 3.41Å; A91-L95 PolarHBondContact O-N 3.17Å; A91-A104 WeakPolarHBondContact CB-O 3.41Å; A91-L108 HydrophobicContact CB-CB 4.05Å
92A94.6Very high93Very high5 Ų557.5 Ų57.54%0.04132%0.315CS..Hα-helixtrans-61.6-42.7177.400000112.3L40 V44 L88 V89 Q90 L95 K96L40-A92 HydrophobicContact CB-CB 4.04Å; V44-A92 HydrophobicContact CB-CB 4.41Å; V44-A92 HydrophobicContact CG2-CB 4.17Å; L88-A92 WeakPolarHBondContact O-CB 3.33Å; L88-A92 PolarHBondContact O-N 2.94Å; V89-A92 PolarHBondContact O-N 3.05Å; Q90-A92 PolarHBondContact O-N 3.35Å; A92-L95 PolarHBondContact O-N 3.28Å; A92-K96 VanDerWaalsContact O-CB 3.29Å; A92-K96 WeakPolarHBondContact O-CB 3.41Å; A92-K96 PolarHBondContact O-N 3.24Å
93S94.9Very high92.8Very high79 Ų7958 Ų5855%0.55233%0.325SS*.Hα-helixtrans-62.3-44175.9-175.30000112V89 Q90 A91 K96 A97V89-S93 WeakPolarHBondContact O-CB 3.29Å; V89-S93 PolarHBondContact O-N 2.95Å; Q90-S93 PolarHBondContact O-N 3.5Å; A91-S93 PolarHBondContact O-N 3.19Å; S93-K96 PolarHBondContact O-N 2.98Å; S93-A97 PolarHBondContact O-N 3.25Å; S93-A97 VanDerWaalsContact O-N 3.17Å
94M93.3Very high92.6Very high61 Ų6153.4 Ų53.430%0.330%0.3SS..Hα-helixtrans-66.3-42.5178.2-67.3168.271.700112.1Q90 A91 K96 A97 D98 P103 A104 Y107Q90-M94 VanDerWaalsContact O-CG 3.23Å; Q90-M94 WeakPolarHBondContact O-CG 3.36Å; Q90-M94 PolarHBondContact O-N 3.4Å; A91-M94 PolarHBondContact O-N 3.02Å; M94-K96 VanDerWaalsContact C-N 3.33Å; M94-K96 PolarHBondContact O-N 3.15Å; M94-A97 PolarHBondContact O-N 2.98Å; M94-D98 PolarHBondContact O-N 3.08Å; M94-P103 HydrophobicContact CE-CB 3.83Å; M94-A104 HydrophobicContact CB-CB 3.52Å; M94-A104 HydrophobicContact CE-CB 4.15Å; M94-A104 HydrophobicContact SD-CB 4.33Å; M94-Y107 HydrophobicContact SD-CD2 4.45Å
95L92.4Very high92.3Very high2 Ų254.5 Ų54.51%0.0130%0.303CS..Hα-helixtrans-69.1-30.4177.3-71.8167.6000112.9I37 L40 A91 A92 A97 D98 P99 A104 L108I37-L95 HydrophobicContact CB-CD1 4.42Å; I37-L95 HydrophobicContact CB-CD2 4.16Å; I37-L95 HydrophobicContact CD1-CD1 4.27Å; I37-L95 HydrophobicContact CD1-CD2 3.99Å; I37-L95 HydrophobicContact CG1-CD2 4.49Å; I37-L95 HydrophobicContact CG2-CD1 3.99Å; L40-L95 HydrophobicContact CD1-CD1 3.64Å; L40-L95 HydrophobicContact CG-CD1 4.37Å; A91-L95 WeakPolarHBondContact O-CB 3.37Å; A91-L95 WeakPolarHBondContact O-CG 3.41Å; A91-L95 PolarHBondContact O-N 3.17Å; A92-L95 PolarHBondContact O-N 3.28Å; L95-A97 VanDerWaalsContact C-N 3.32Å; L95-D98 WeakPolarHBondContact CA-O 3.41Å; L95-D98 CarbonylContact O-C 3.27Å; L95-D98 VanDerWaalsContact O-C 3.27Å; L95-P99 WeakPolarHBondContact O-CA 3.44Å; L95-A104 HydrophobicContact CD1-CB 4.41Å; L95-A104 HydrophobicContact CD2-CB 3.86Å; L95-A104 HydrophobicContact CG-CB 3.66Å; L95-L108 HydrophobicContact CD1-CD2 4.23Å
96K92.6Very high92Very high126 Ų12657.2 Ų57.255%0.54832%0.317SS..Hα-helixtrans-66.6-35.4172.3-175.8172.1-172.3142.40112.2D39 A92 S93 M94D39-K96 WeakPolarHBondContact OD2-CE 3.5Å; D39-K96 IonicContact OD2-NZ 3.38Å; D39-K96 PolarHBondContact OD2-NZ 3.21Å; A92-K96 VanDerWaalsContact O-CB 3.29Å; A92-K96 WeakPolarHBondContact O-CB 3.41Å; A92-K96 PolarHBondContact O-N 3.24Å; S93-K96 PolarHBondContact O-N 2.98Å; M94-K96 VanDerWaalsContact C-N 3.33Å; M94-K96 PolarHBondContact O-N 3.15Å
97A92.9Very high91.9Very high92 Ų9258.2 Ų58.276%0.7631%0.313SS*.Hα-helixtrans-79.1-41.4175.900000112.3S93 M94 L95S93-A97 PolarHBondContact O-N 3.25Å; S93-A97 VanDerWaalsContact O-N 3.17Å; M94-A97 PolarHBondContact O-N 2.98Å; L95-A97 VanDerWaalsContact C-N 3.32Å
98D91.9Very high91.8Very high76 Ų7654.7 Ų54.741%0.40630%0.298SS..  trans-139.3101.1178.4173.616.5000110.8M94 L95 Y100 S101M94-D98 PolarHBondContact O-N 3.08Å; L95-D98 WeakPolarHBondContact CA-O 3.41Å; L95-D98 CarbonylContact O-C 3.27Å; L95-D98 VanDerWaalsContact O-C 3.27Å; D98-Y100 PolarHBondContact O-N 3.44Å; D98-Y100 PolarHBondContact OD1-N 2.91Å; D98-S101 VanDerWaalsContact O-CB 3.29Å; D98-S101 WeakPolarHBondContact O-CB 3.49Å; D98-S101 PolarHBondContact O-N 2.96Å; D98-S101 VanDerWaalsContact O-N 3.08Å; D98-S101 PolarHBondContact OD2-N 3.4Å
99P90.5Very high91.5Very high45 Ų4554.7 Ų54.729%0.29230%0.298SS..THydrogen-bonded Turntrans-61-11.4-179.6-26.836.2000115.8A36 I37 L95A36-P99 HydrophobicContact CB-CB 3.72Å; I37-P99 PolarHBondContact N-O 3.35Å; L95-P99 WeakPolarHBondContact O-CA 3.44Å
100Y90.3Very high91.3Very high132 Ų13253 Ų5352%0.51829%0.286SS..THydrogen-bonded Turntrans-108.66.6-179.8-60.6-85.2000113.2G34 A36 D98 V102G34-Y100 WeakPolarHBondContact O-CE1 3.35Å; A36-Y100 HydrophobicContact CB-CE1 4.27Å; A36-Y100 HydrophobicContact CB-CE2 4.07Å; D98-Y100 PolarHBondContact O-N 3.44Å; D98-Y100 PolarHBondContact OD1-N 2.91Å; Y100-V102 PolarHBondContact O-N 3.39Å; Y100-V102 VanDerWaalsContact O-N 3.09Å
101S91.4Very high91.1Very high15 Ų1548.8 Ų48.811%0.10527%0.267CS..  trans-61.5110.4-174.9-172.50000113D98 A104 R105D98-S101 VanDerWaalsContact O-CB 3.29Å; D98-S101 WeakPolarHBondContact O-CB 3.49Å; D98-S101 PolarHBondContact O-N 2.96Å; D98-S101 VanDerWaalsContact O-N 3.08Å; D98-S101 PolarHBondContact OD2-N 3.4Å; S101-A104 WeakPolarHBondContact O-CB 3.41Å; S101-A104 PolarHBondContact O-N 3.31Å; S101-R105 WeakPolarHBondContact O-CG 3.28Å; S101-R105 PolarHBondContact O-N 3.47Å
102V87.4Confident91.1Very high89 Ų8948.8 Ų48.854%0.53927%0.267SS..Hα-helixtrans-62.9-45.6176.5-179.70000112.6Y100 A104 R105 D106Y100-V102 PolarHBondContact O-N 3.39Å; Y100-V102 VanDerWaalsContact O-N 3.09Å; V102-A104 PolarHBondContact O-N 3.36Å; V102-R105 WeakPolarHBondContact O-CB 3.5Å; V102-R105 PolarHBondContact O-N 2.88Å; V102-D106 PolarHBondContact O-N 2.74Å
103P89Confident90.9Very high78 Ų7850.5 Ų50.551%0.50627%0.272SS..Hα-helixtrans-59.8-32.5176.8-2535.8000113.3M94 D106 Y107M94-P103 HydrophobicContact CE-CB 3.83Å; P103-D106 PolarHBondContact O-N 3.19Å; P103-Y107 PolarHBondContact O-N 2.91Å; P103-Y107 VanDerWaalsContact O-N 3.17Å
104A89.8Confident90.7Very high0 Ų047.3 Ų47.30%025%0.252CS..Hα-helixtrans-69.3-35176.300000112.4A91 M94 L95 S101 V102 Y107 L108A91-A104 WeakPolarHBondContact CB-O 3.41Å; M94-A104 HydrophobicContact CB-CB 3.52Å; M94-A104 HydrophobicContact CE-CB 4.15Å; M94-A104 HydrophobicContact SD-CB 4.33Å; L95-A104 HydrophobicContact CD1-CB 4.41Å; L95-A104 HydrophobicContact CD2-CB 3.86Å; L95-A104 HydrophobicContact CG-CB 3.66Å; S101-A104 WeakPolarHBondContact O-CB 3.41Å; S101-A104 PolarHBondContact O-N 3.31Å; V102-A104 PolarHBondContact O-N 3.36Å; A104-Y107 PolarHBondContact O-N 3.41Å; A104-L108 WeakPolarHBondContact O-CB 3.27Å; A104-L108 PolarHBondContact O-N 3.49Å
105R87.6Confident90.7Very high26 Ų2644.4 Ų44.410%0.09824%0.238CC..Hα-helixtrans-64.7-41.2175.1-67.1171.3-171.5-165-8.4111.8H27 G30 I37 S101 V102 L108 I109H27-R105 PolarHBondContact CD2-O 2.69Å; H27-R105 VanDerWaalsContact CD2-O 3.22Å; H27-R105 PolarHBondContact NE2-O 3.38Å; G30-R105 VanDerWaalsContact C-CZ 3.47Å; G30-R105 PolarHBondContact O-NH1 2.72Å; G30-R105 PolarHBondContact O-NH2 2.79Å; G30-R105 VanDerWaalsContact O-NH2 3.07Å; I37-R105 HydrophobicContact CD1-CG 3.81Å; S101-R105 WeakPolarHBondContact O-CG 3.28Å; S101-R105 PolarHBondContact O-N 3.47Å; V102-R105 WeakPolarHBondContact O-CB 3.5Å; V102-R105 PolarHBondContact O-N 2.88Å; R105-L108 WeakPolarHBondContact O-CB 3.39Å; R105-L108 PolarHBondContact O-N 3.03Å; R105-I109 PolarHBondContact O-N 3.46Å; R105-I109 VanDerWaalsContact O-N 3.17Å
106D88Confident90.6Very high71 Ų7144.8 Ų44.838%0.3824%0.24SC..Hα-helixtrans-62.1-46.6174.6-73.1-18.6000111.6V102 P103 L108 I109 D110 R1012V102-D106 PolarHBondContact O-N 2.74Å; P103-D106 PolarHBondContact O-N 3.19Å; D106-L108 VanDerWaalsContact C-N 3.31Å; D106-L108 PolarHBondContact O-N 2.93Å; D106-I109 PolarHBondContact O-N 3.15Å; D106-D110 WeakPolarHBondContact O-CB 3.45Å; D106-D110 PolarHBondContact O-N 3.32Å; D106-R1012 IonicContact OD1-CZ 2.68Å; D106-R1012 IonicContact OD1-NH1 3.12Å; D106-R1012 PolarHBondContact OD1-NH1 3.39Å; D106-R1012 IonicContact OD1-NH2 2.79Å
107Y91.1Very high90.5Very high97 Ų9740 Ų4038%0.3822%0.222SC..Hα-helixtrans-63.7-34.3175.5-84.115.4000113.1Q90 M94 P103 A104 G111Q90-Y107 HydrophobicContact CB-CD2 4.2Å; M94-Y107 HydrophobicContact SD-CD2 4.45Å; P103-Y107 PolarHBondContact O-N 2.91Å; P103-Y107 VanDerWaalsContact O-N 3.17Å; A104-Y107 PolarHBondContact O-N 3.41Å; Y107-G111 WeakPolarHBondContact O-CA 3.12Å; Y107-G111 PolarHBondContact O-N 3.45Å
108L91.9Very high90.4Very high0 Ų035.6 Ų35.60%019%0.186CC..Hα-helixtrans-63.2-46.3177.9-177.262000111.5L23 H27 L40 L88 A91 L95 A104 R105 D106 S112L23-L108 HydrophobicContact CB-CD1 4.27Å; L23-L108 HydrophobicContact CD1-CD1 4.34Å; H27-L108 HydrophobicContact CB-CD2 4.1Å; L40-L108 HydrophobicContact CD1-CD1 3.83Å; L40-L108 HydrophobicContact CD1-CD2 3.69Å; L40-L108 HydrophobicContact CD1-CG 4.43Å; L88-L108 HydrophobicContact CD2-CD1 3.82Å; L88-L108 WeakPolarHBondContact CD2-O 3.43Å; A91-L108 HydrophobicContact CB-CB 4.05Å; L95-L108 HydrophobicContact CD1-CD2 4.23Å; A104-L108 WeakPolarHBondContact O-CB 3.27Å; A104-L108 PolarHBondContact O-N 3.49Å; R105-L108 WeakPolarHBondContact O-CB 3.39Å; R105-L108 PolarHBondContact O-N 3.03Å; D106-L108 VanDerWaalsContact C-N 3.31Å; D106-L108 PolarHBondContact O-N 2.93Å; L108-S112 VanDerWaalsContact O-CB 3.23Å; L108-S112 WeakPolarHBondContact O-CB 3.35Å; L108-S112 PolarHBondContact O-N 3.38Å; L108-S112 PolarHBondContact O-OG 3.14Å
109I89.4Confident90.4Very high0 Ų032 Ų320%017%0.167CC..Hα-helixtrans-74-42.9179.2-73.5-66000112.1V24 H27 R105 D106 G111 S112 R113 T1008V24-I109 HydrophobicContact CB-CD1 4.27Å; V24-I109 HydrophobicContact CG1-CD1 4.08Å; V24-I109 HydrophobicContact CG2-CD1 3.96Å; H27-I109 HydrophobicContact CB-CD1 3.9Å; H27-I109 HydrophobicContact CB-CG1 4.05Å; H27-I109 WeakPolarHBondContact CD2-CG1 3.46Å; H27-I109 WeakPolarHBondContact NE2-CG1 3.49Å; R105-I109 PolarHBondContact O-N 3.46Å; R105-I109 VanDerWaalsContact O-N 3.17Å; D106-I109 PolarHBondContact O-N 3.15Å; I109-G111 VanDerWaalsContact C-N 3.31Å; I109-G111 PolarHBondContact O-N 2.96Å; I109-S112 WeakPolarHBondContact O-CB 3.49Å; I109-S112 PolarHBondContact O-N 3.09Å; I109-R113 PolarHBondContact O-N 3.39Å; I109-T1008 WeakPolarHBondContact CG2-O 3.16Å
110D89.1Confident90.5Very high30 Ų3030 Ų3016%0.1615%0.153CC..Hα-helixtrans-62.1-40.8176.1-89.6-9.5000111.8K87 D106 R113 G114 N1014K87-D110 HydrophobicContact CD-CB 4.43Å; K87-D110 IonicContact NZ-OD2 2.77Å; D106-D110 WeakPolarHBondContact O-CB 3.45Å; D106-D110 PolarHBondContact O-N 3.32Å; D110-R113 IonicContact OD1-CZ 3.78Å; D110-R113 IonicContact OD1-NH2 2.77Å; D110-R113 PolarHBondContact OD1-NH2 2.89Å; D110-G114 PolarHBondContact O-N 3.38Å; D110-N1014 PolarHBondContact OD1-ND2 3.34Å; D110-N1014 VanDerWaalsContact OD1-ND2 3.15Å; D110-N1014 PolarHBondContact OD2-ND2 2.95Å
111G91.8Very high90.5Very high0 Ų025.6 Ų25.60%014%0.139CC..Hα-helixtrans-62.8-45.6172.600000111.7Y107 I109 R113 G114 I115Y107-G111 WeakPolarHBondContact O-CA 3.12Å; Y107-G111 PolarHBondContact O-N 3.45Å; I109-G111 VanDerWaalsContact C-N 3.31Å; I109-G111 PolarHBondContact O-N 2.96Å; G111-R113 PolarHBondContact O-N 3.15Å; G111-G114 PolarHBondContact O-N 3.24Å; G111-I115 WeakPolarHBondContact O-CG1 3.47Å; G111-I115 PolarHBondContact O-N 2.97Å
112S92.7Very high90.5Very high0 Ų024.9 Ų24.90%013%0.134CC..Hα-helixtrans-59-47.9178.9-68.70000112.8L108 I109 I115 L116L108-S112 VanDerWaalsContact O-CB 3.23Å; L108-S112 WeakPolarHBondContact O-CB 3.35Å; L108-S112 PolarHBondContact O-N 3.38Å; L108-S112 PolarHBondContact O-OG 3.14Å; I109-S112 WeakPolarHBondContact O-CB 3.49Å; I109-S112 PolarHBondContact O-N 3.09Å; S112-I115 PolarHBondContact O-N 3.04Å; S112-L116 PolarHBondContact O-N 2.71Å
113R90.3Very high90.8Very high41 Ų4121.1 Ų21.116%0.15511%0.111CC..Hα-helixtrans-62.6-43174.1178.5177.654.6152-11.1111.8I109 D110 G111 I115 L116 S117 E1019I109-R113 PolarHBondContact O-N 3.39Å; D110-R113 IonicContact OD1-CZ 3.78Å; D110-R113 IonicContact OD1-NH2 2.77Å; D110-R113 PolarHBondContact OD1-NH2 2.89Å; G111-R113 PolarHBondContact O-N 3.15Å; R113-I115 VanDerWaalsContact C-N 3.29Å; R113-I115 PolarHBondContact O-N 2.82Å; R113-L116 PolarHBondContact O-N 3.35Å; R113-S117 PolarHBondContact O-N 3.09Å; R113-E1019 IonicContact NH1-OE2 2.65Å
114G90.8Very high91Very high13 Ų1318.8 Ų18.813%0.1349%0.094CC..Hα-helixtrans-59.7-37.3178.800000113D110 G111 G118D110-G114 PolarHBondContact O-N 3.38Å; G111-G114 PolarHBondContact O-N 3.24Å; G114-G118 WeakPolarHBondContact O-CA 3.39Å; G114-G118 PolarHBondContact O-N 3.12Å
115I93.7Very high91Very high0 Ų019.3 Ų19.30%010%0.097CC..Hα-helixtrans-65-53.4173.3-68-62.4000110.7V16 I20 V47 V51 V81 A84 C85 L88 G111 S112 R113 S117 G118 T119V16-I115 HydrophobicContact CG1-CG2 3.67Å; I20-I115 HydrophobicContact CD1-CB 4.14Å; I20-I115 HydrophobicContact CD1-CG1 4.46Å; I20-I115 HydrophobicContact CD1-CG2 4.11Å; I20-I115 HydrophobicContact CG1-CG2 4.19Å; V47-I115 HydrophobicContact CG1-CD1 4.45Å; V47-I115 HydrophobicContact CG1-CG1 4.16Å; V47-I115 HydrophobicContact CG1-CG2 4.11Å; V51-I115 HydrophobicContact CG1-CG2 4.11Å; V51-I115 HydrophobicContact CG2-CD1 4.26Å; V81-I115 HydrophobicContact CG1-CD1 4.25Å; A84-I115 HydrophobicContact CB-CD1 3.75Å; A84-I115 HydrophobicContact CB-CG1 3.89Å; C85-I115 WeakPolarHBondContact SG-CD1 3.48Å; L88-I115 HydrophobicContact CD1-CD1 4.39Å; L88-I115 HydrophobicContact CD1-CG1 3.65Å; G111-I115 WeakPolarHBondContact O-CG1 3.47Å; G111-I115 PolarHBondContact O-N 2.97Å; S112-I115 PolarHBondContact O-N 3.04Å; R113-I115 VanDerWaalsContact C-N 3.29Å; R113-I115 PolarHBondContact O-N 2.82Å; I115-S117 PolarHBondContact O-N 3.43Å; I115-G118 PolarHBondContact O-N 2.95Å; I115-T119 VanDerWaalsContact O-CB 3.27Å; I115-T119 WeakPolarHBondContact O-CB 3.37Å; I115-T119 PolarHBondContact O-N 3.49Å; I115-T119 PolarHBondContact O-OG1 2.96Å
116L90.9Very high91.3Very high10 Ų1020.1 Ų20.15%0.05210%0.101CC..Hα-helixtrans-57.9-50.1-177.9-65.5174.7000112V16 A17 I20 S112 R113 S120 T1004 V1005 T1008V16-L116 HydrophobicContact CG1-CD2 4.26Å; A17-L116 HydrophobicContact CB-CD2 4.01Å; I20-L116 HydrophobicContact CB-CD2 4.21Å; I20-L116 HydrophobicContact CB-CG 4.41Å; I20-L116 HydrophobicContact CG1-CD2 4.11Å; I20-L116 HydrophobicContact CG1-CG 4.31Å; I20-L116 HydrophobicContact CG2-CD1 3.86Å; I20-L116 HydrophobicContact CG2-CD2 4.38Å; I20-L116 HydrophobicContact CG2-CG 4.08Å; S112-L116 PolarHBondContact O-N 2.71Å; R113-L116 PolarHBondContact O-N 3.35Å; L116-S120 VanDerWaalsContact O-CB 3.32Å; L116-S120 WeakPolarHBondContact O-CB 3.43Å; L116-S120 PolarHBondContact O-N 2.95Å; L116-T1004 HydrophobicContact CD1-CG2 4.11Å; L116-V1005 HydrophobicContact CB-CG2 4.39Å; L116-V1005 HydrophobicContact CD1-CG2 3.93Å; L116-T1008 HydrophobicContact CD1-CG2 4.22Å
117S89.8Confident91.6Very high25 Ų2517.6 Ų17.618%0.1759%0.088CC..Hα-helixtrans-70.9-41.6-179.4-179.10000112K80 R113 I115 S120 D121K80-S117 WeakPolarHBondContact CE-OG 3.4Å; K80-S117 PolarHBondContact NZ-OG 2.84Å; R113-S117 PolarHBondContact O-N 3.09Å; I115-S117 PolarHBondContact O-N 3.43Å; S117-S120 PolarHBondContact O-N 3.26Å; S117-D121 WeakPolarHBondContact O-CB 3.43Å; S117-D121 PolarHBondContact O-N 2.71Å
118G91.5Very high91.6Very high0 Ų016 Ų160%08%0.084CC..Hα-helixtrans-65.3-41.9179.400000112.8G114 I115 D121 L122G114-G118 WeakPolarHBondContact O-CA 3.39Å; G114-G118 PolarHBondContact O-N 3.12Å; I115-G118 PolarHBondContact O-N 2.95Å; G118-D121 PolarHBondContact O-N 3.2Å; G118-L122 WeakPolarHBondContact O-CB 3.33Å; G118-L122 PolarHBondContact O-N 3.37Å
119T92.6Very high91.6Very high1 Ų116.4 Ų16.41%0.0069%0.087CC..Hα-helixtrans-65.9-40.8175.4-60.60000111I12 L13 L54 I115 L122 L123I12-T119 HydrophobicContact CG2-CG2 4.46Å; L13-T119 HydrophobicContact CD2-CG2 3.75Å; L54-T119 HydrophobicContact CD2-CG2 3.78Å; I115-T119 VanDerWaalsContact O-CB 3.27Å; I115-T119 WeakPolarHBondContact O-CB 3.37Å; I115-T119 PolarHBondContact O-N 3.49Å; I115-T119 PolarHBondContact O-OG1 2.96Å; T119-L122 PolarHBondContact O-N 3.03Å; T119-L123 HydrophobicContact CG2-CD1 3.97Å; T119-L123 HydrophobicContact CG2-CG 4.44Å; T119-L123 WeakPolarHBondContact O-CB 3.32Å; T119-L123 VanDerWaalsContact O-CG 3.26Å; T119-L123 WeakPolarHBondContact O-CG 3.48Å; T119-L123 PolarHBondContact O-N 2.79Å
120S91.5Very high91.8Very high1 Ų120.8 Ų20.81%0.00711%0.107CC..Hα-helixtrans-61.3-47.6174.2-176.90000112.1P2 V3 L116 S117 L122 L123 L124P2-S120 WeakPolarHBondContact CA-OG 3.48Å; V3-S120 WeakPolarHBondContact CG2-OG 3.18Å; V3-S120 PolarHBondContact N-OG 3.46Å; L116-S120 VanDerWaalsContact O-CB 3.32Å; L116-S120 WeakPolarHBondContact O-CB 3.43Å; L116-S120 PolarHBondContact O-N 2.95Å; S117-S120 PolarHBondContact O-N 3.26Å; S120-L122 VanDerWaalsContact C-N 3.31Å; S120-L122 PolarHBondContact O-N 3.12Å; S120-L123 PolarHBondContact O-N 3.06Å; S120-L124 VanDerWaalsContact O-CB 3.31Å; S120-L124 WeakPolarHBondContact O-CB 3.47Å; S120-L124 PolarHBondContact O-N 3.32Å
121D90.3Very high92.1Very high40 Ų4019.8 Ų19.821%0.21410%0.102CC..Hα-helixtrans-62-41.6178.8-62.4-21.3000110.5A77 K80 S117 G118 L124 T125A77-D121 HydrophobicContact CB-CB 4.08Å; K80-D121 IonicContact NZ-OD2 3.08Å; K80-D121 PolarHBondContact NZ-OD2 3.26Å; S117-D121 WeakPolarHBondContact O-CB 3.43Å; S117-D121 PolarHBondContact O-N 2.71Å; G118-D121 PolarHBondContact O-N 3.2Å; D121-L124 PolarHBondContact O-N 2.98Å; D121-T125 PolarHBondContact O-N 3.1Å; D121-T125 PolarHBondContact O-OG1 2.59Å
122L92.4Very high92.2Very high0 Ų022.2 Ų22.20%011%0.111CC..Hα-helixtrans-61.9-47.5178.2177.355000111.6L54 V55 M74 A77 F78 V81 G118 T119 S120 F126L54-L122 HydrophobicContact CB-CD2 4.28Å; L54-L122 HydrophobicContact CD2-CD2 3.61Å; L54-L122 HydrophobicContact CD2-CG 3.93Å; L54-L122 HydrophobicContact CG-CD2 3.54Å; L54-L122 HydrophobicContact CG-CG 3.92Å; V55-L122 HydrophobicContact CG2-CD2 4.17Å; M74-L122 HydrophobicContact CE-CB 4.36Å; M74-L122 HydrophobicContact CE-CD1 3.17Å; M74-L122 HydrophobicContact CE-CG 4.26Å; M74-L122 WeakPolarHBondContact CE-O 3.45Å; M74-L122 HydrophobicContact CG-CD1 4.46Å; M74-L122 HydrophobicContact SD-CD1 3.58Å; M74-L122 VanDerWaalsContact SD-CD1 3.58Å; A77-L122 HydrophobicContact CB-CB 4.18Å; F78-L122 HydrophobicContact CB-CD1 4.42Å; V81-L122 HydrophobicContact CG2-CD2 4.26Å; G118-L122 WeakPolarHBondContact O-CB 3.33Å; G118-L122 PolarHBondContact O-N 3.37Å; T119-L122 PolarHBondContact O-N 3.03Å; S120-L122 VanDerWaalsContact C-N 3.31Å; S120-L122 PolarHBondContact O-N 3.12Å; L122-F126 HydrophobicContact CD1-CD2 4.38Å; L122-F126 HydrophobicContact CD1-CE2 3.93Å; L122-F126 HydrophobicContact CG-CE2 4.47Å; L122-F126 VanDerWaalsContact O-CD2 3.26Å; L122-F126 WeakPolarHBondContact O-CD2 3.44Å; L122-F126 PolarHBondContact O-N 3.12Å
123L93.4Very high92.3Very high11 Ų1126.8 Ų26.86%0.05813%0.131CC..Hα-helixtrans-68.4-35.8177.7-67169.5000112.4I9 I12 L13 L54 T119 S120 F126 D127I9-L123 HydrophobicContact CG1-CB 4.09Å; I9-L123 HydrophobicContact CG2-CB 4.45Å; I9-L123 HydrophobicContact CG2-CD1 4.21Å; I12-L123 HydrophobicContact CB-CD1 3.92Å; I12-L123 HydrophobicContact CD1-CD1 4.46Å; I12-L123 HydrophobicContact CD1-CD2 3.6Å; I12-L123 HydrophobicContact CG2-CD1 3.78Å; I12-L123 HydrophobicContact CG2-CD2 4.36Å; L13-L123 HydrophobicContact CD2-CD1 4.24Å; L13-L123 HydrophobicContact CG-CD1 4.02Å; L54-L123 HydrophobicContact CD1-CD2 3.78Å; L54-L123 HydrophobicContact CD2-CD2 3.91Å; L54-L123 HydrophobicContact CD2-CG 4.04Å; L54-L123 HydrophobicContact CG-CD2 4.49Å; T119-L123 HydrophobicContact CG2-CD1 3.97Å; T119-L123 HydrophobicContact CG2-CG 4.44Å; T119-L123 WeakPolarHBondContact O-CB 3.32Å; T119-L123 VanDerWaalsContact O-CG 3.26Å; T119-L123 WeakPolarHBondContact O-CG 3.48Å; T119-L123 PolarHBondContact O-N 2.79Å; S120-L123 PolarHBondContact O-N 3.06Å; L123-F126 PolarHBondContact O-N 2.89Å; L123-D127 PolarHBondContact O-N 3.4Å
124L92.3Very high92.6Very high29 Ų2925.5 Ų25.515%0.15213%0.127CC..Hα-helixtrans-61.2-46.4176.4179.257.3000111.5V3 S120 D121 F126 D127 E128 T251V3-L124 HydrophobicContact CG1-CD1 4.3Å; V3-L124 HydrophobicContact CG1-CD2 4.2Å; V3-L124 HydrophobicContact CG2-CB 3.82Å; V3-L124 HydrophobicContact CG2-CD1 4.11Å; V3-L124 HydrophobicContact CG2-CD2 4.39Å; V3-L124 HydrophobicContact CG2-CG 4.32Å; S120-L124 VanDerWaalsContact O-CB 3.31Å; S120-L124 WeakPolarHBondContact O-CB 3.47Å; S120-L124 PolarHBondContact O-N 3.32Å; D121-L124 PolarHBondContact O-N 2.98Å; L124-F126 VanDerWaalsContact C-N 3.29Å; L124-F126 PolarHBondContact O-N 3.13Å; L124-D127 WeakPolarHBondContact O-CB 3.38Å; L124-D127 PolarHBondContact O-N 3.44Å; L124-D127 VanDerWaalsContact O-N 3.1Å; L124-E128 HydrophobicContact CD1-CG 4Å; L124-E128 HydrophobicContact CG-CG 4.27Å; L124-E128 WeakPolarHBondContact O-CG 3.41Å; L124-E128 PolarHBondContact O-N 2.95Å; L124-T251 HydrophobicContact CD1-CG2 3.94Å
125T91Very high92.8Very high11 Ų1125.6 Ų25.67%0.06713%0.125CC..Hα-helixtrans-63.1-35.8179.5-48.40000112.5M70 D73 M74 D121 A129M70-T125 HydrophobicContact CG-CG2 4.32Å; D73-T125 HydrophobicContact CB-CG2 4Å; M74-T125 HydrophobicContact CB-CG2 4.25Å; M74-T125 HydrophobicContact CE-CG2 3.81Å; M74-T125 HydrophobicContact SD-CG2 4.37Å; D121-T125 PolarHBondContact O-N 3.1Å; D121-T125 PolarHBondContact O-OG1 2.59Å; T125-A129 PolarHBondContact O-N 3.21Å
126F93Very high92.8Very high43 Ų4333.8 Ų33.819%0.18916%0.156CC..Hα-helixtrans-61.7-48171.8-85.9-68.9000111.2L54 V57 T61 M70 M74 L122 L123 L124 A129 E130L54-F126 HydrophobicContact CD1-CE2 4.46Å; V57-F126 HydrophobicContact CG1-CZ 4.03Å; T61-F126 HydrophobicContact CG2-CE1 4.04Å; M70-F126 HydrophobicContact CE-CD1 3.6Å; M70-F126 HydrophobicContact CE-CE1 3.58Å; M70-F126 HydrophobicContact CE-CG 4.34Å; M70-F126 HydrophobicContact CE-CZ 4.3Å; M74-F126 HydrophobicContact SD-CD2 4.2Å; M74-F126 HydrophobicContact SD-CE2 3.92Å; M74-F126 HydrophobicContact SD-CZ 4.2Å; L122-F126 HydrophobicContact CD1-CD2 4.38Å; L122-F126 HydrophobicContact CD1-CE2 3.93Å; L122-F126 HydrophobicContact CG-CE2 4.47Å; L122-F126 VanDerWaalsContact O-CD2 3.26Å; L122-F126 WeakPolarHBondContact O-CD2 3.44Å; L122-F126 PolarHBondContact O-N 3.12Å; L123-F126 PolarHBondContact O-N 2.89Å; L124-F126 VanDerWaalsContact C-N 3.29Å; L124-F126 PolarHBondContact O-N 3.13Å; F126-A129 WeakPolarHBondContact O-CB 3.45Å; F126-A129 PolarHBondContact O-N 2.91Å; F126-E130 PolarHBondContact O-N 3.49Å
127D94.7Very high93.1Very high17 Ų1734.6 Ų34.69%0.09116%0.161CC..Hα-helixtrans-61.9-45.8-179.9-173.175.3000112.5H5 T6 I9 L123 L124 A129 E130 V131 R178H5-D127 IonicContact CD2-OD2 3.86Å; H5-D127 IonicContact CE1-OD2 4Å; H5-D127 IonicContact NE2-OD2 2.94Å; H5-D127 PolarHBondContact NE2-OD2 3.47Å; T6-D127 WeakPolarHBondContact CG2-OD1 3.14Å; I9-D127 HydrophobicContact CD1-CB 4.15Å; L123-D127 PolarHBondContact O-N 3.4Å; L124-D127 WeakPolarHBondContact O-CB 3.38Å; L124-D127 PolarHBondContact O-N 3.44Å; L124-D127 VanDerWaalsContact O-N 3.1Å; D127-A129 PolarHBondContact O-N 2.96Å; D127-E130 PolarHBondContact O-N 3.29Å; D127-E130 VanDerWaalsContact O-N 3.09Å; D127-V131 WeakPolarHBondContact O-CG2 3.19Å; D127-V131 PolarHBondContact O-N 2.8Å; D127-R178 VanDerWaalsContact CG-NH2 3.29Å; D127-R178 IonicContact OD1-CZ 2.78Å; D127-R178 VanDerWaalsContact OD1-CZ 3.28Å; D127-R178 IonicContact OD1-NH1 3.31Å; D127-R178 PolarHBondContact OD1-NH1 3.46Å; D127-R178 IonicContact OD1-NH2 2.77Å; D127-R178 PolarHBondContact OD1-NH2 3.47Å; D127-R178 IonicContact OD2-CZ 3.83Å; D127-R178 IonicContact OD2-NH1 3.04Å; D127-R178 IonicContact OD2-NH2 2.62Å; D127-R178 PolarHBondContact OD2-NH2 3.17Å
128E91.2Very high93.4Very high65 Ų6533.4 Ų33.430%0.30415%0.153SC..Hα-helixtrans-59.9-35.3177.1-70.6175.1172.200112L124 V131 R132L124-E128 HydrophobicContact CD1-CG 4Å; L124-E128 HydrophobicContact CG-CG 4.27Å; L124-E128 WeakPolarHBondContact O-CG 3.41Å; L124-E128 PolarHBondContact O-N 2.95Å; E128-V131 PolarHBondContact O-N 3.19Å; E128-R132 WeakPolarHBondContact O-CB 3Å; E128-R132 VanDerWaalsContact O-CG 3.32Å; E128-R132 WeakPolarHBondContact O-CG 3.45Å; E128-R132 PolarHBondContact O-N 3.05Å; E128-R132 IonicContact OE2-NH1 2.61Å
129A91.1Very high93.6Very high7 Ų738.8 Ų38.86%0.05818%0.176CC..Hα-helixtrans-65.8-41.5175.100000112M70 T125 F126 D127 R132 K133M70-A129 HydrophobicContact SD-CB 4.08Å; T125-A129 PolarHBondContact O-N 3.21Å; F126-A129 WeakPolarHBondContact O-CB 3.45Å; F126-A129 PolarHBondContact O-N 2.91Å; D127-A129 PolarHBondContact O-N 2.96Å; A129-R132 PolarHBondContact O-N 2.99Å; A129-K133 WeakPolarHBondContact O-CG 3.46Å; A129-K133 PolarHBondContact O-N 3.17Å
130E93.9Very high93.7Very high92 Ų9240.2 Ų40.243%0.4319%0.191SC..Hα-helixtrans-64.1-44.3173.6-66.3-52132.700111.6F126 D127 R132 K133 I134F126-E130 PolarHBondContact O-N 3.49Å; D127-E130 PolarHBondContact O-N 3.29Å; D127-E130 VanDerWaalsContact O-N 3.09Å; E130-R132 VanDerWaalsContact C-N 3.33Å; E130-R132 PolarHBondContact O-N 3.13Å; E130-K133 VanDerWaalsContact CD-NZ 3.25Å; E130-K133 WeakPolarHBondContact O-CB 3.46Å; E130-K133 PolarHBondContact O-N 3.13Å; E130-K133 VanDerWaalsContact O-N 3.12Å; E130-K133 IonicContact OE1-NZ 3.77Å; E130-K133 PolarHBondContact OE1-NZ 2.95Å; E130-K133 IonicContact OE2-NZ 2.82Å; E130-K133 PolarHBondContact OE2-NZ 3.18Å; E130-K133 VanDerWaalsContact OE2-NZ 3.11Å; E130-I134 PolarHBondContact O-N 2.98Å
131V95.5Very high94Very high9 Ų940.8 Ų40.86%0.05519%0.194CC..Hα-helixtrans-59.1-43.1175.8169.60000111.4D127 E128 K133 I134 I135 R178 L248 Q249D127-V131 WeakPolarHBondContact O-CG2 3.19Å; D127-V131 PolarHBondContact O-N 2.8Å; E128-V131 PolarHBondContact O-N 3.19Å; V131-K133 VanDerWaalsContact C-N 3.27Å; V131-K133 PolarHBondContact O-N 2.99Å; V131-I134 PolarHBondContact O-N 2.95Å; V131-I134 VanDerWaalsContact O-N 3.11Å; V131-I135 HydrophobicContact CG1-CD1 3.61Å; V131-I135 HydrophobicContact CG1-CG1 4.19Å; V131-I135 WeakPolarHBondContact O-CG1 3.42Å; V131-I135 PolarHBondContact O-N 3.43Å; V131-R178 VanDerWaalsContact CG2-NH2 3.32Å; V131-L248 HydrophobicContact CG1-CB 4.15Å; V131-L248 WeakPolarHBondContact CG1-O 3.47Å; V131-Q249 HydrophobicContact CG1-CG 4.28Å
132R93.6Very high94.2Very high51 Ų5140.2 Ų40.219%0.19219%0.191CC..Hα-helixtrans-59.4-34.5176.3-78.2-171.5-63-882.9112.9D67 E128 A129 E130 R136D67-R132 IonicContact OD1-NE 2.8Å; D67-R132 IonicContact OD1-NH2 3.25Å; D67-R132 IonicContact OD2-CZ 3.43Å; D67-R132 VanDerWaalsContact OD2-CZ 3.3Å; D67-R132 IonicContact OD2-NE 2.71Å; D67-R132 PolarHBondContact OD2-NE 3.01Å; D67-R132 IonicContact OD2-NH2 3.77Å; D67-R132 PolarHBondContact OD2-NH2 3.42Å; E128-R132 WeakPolarHBondContact O-CB 3Å; E128-R132 VanDerWaalsContact O-CG 3.32Å; E128-R132 WeakPolarHBondContact O-CG 3.45Å; E128-R132 PolarHBondContact O-N 3.05Å; E128-R132 IonicContact OE2-NH1 2.61Å; A129-R132 PolarHBondContact O-N 2.99Å; E130-R132 VanDerWaalsContact C-N 3.33Å; E130-R132 PolarHBondContact O-N 3.13Å; R132-R136 WeakPolarHBondContact O-CB 3.21Å; R132-R136 PolarHBondContact O-N 3.32Å
133K94.6Very high94.3Very high97 Ų9746.8 Ų46.842%0.42222%0.221SC..Hα-helixtrans-64-43.7174.7-64.6171.5-169.7168.60111.3A129 E130 V131 R136 V137 M174A129-K133 WeakPolarHBondContact O-CG 3.46Å; A129-K133 PolarHBondContact O-N 3.17Å; E130-K133 VanDerWaalsContact CD-NZ 3.25Å; E130-K133 WeakPolarHBondContact O-CB 3.46Å; E130-K133 PolarHBondContact O-N 3.13Å; E130-K133 VanDerWaalsContact O-N 3.12Å; E130-K133 IonicContact OE1-NZ 3.77Å; E130-K133 PolarHBondContact OE1-NZ 2.95Å; E130-K133 IonicContact OE2-NZ 2.82Å; E130-K133 PolarHBondContact OE2-NZ 3.18Å; E130-K133 VanDerWaalsContact OE2-NZ 3.11Å; V131-K133 VanDerWaalsContact C-N 3.27Å; V131-K133 PolarHBondContact O-N 2.99Å; K133-R136 PolarHBondContact O-N 3.42Å; K133-V137 PolarHBondContact O-N 3.3Å; K133-M174 HydrophobicContact CB-CE 4.38Å
134I96.9Very high94.4Very high13 Ų1349.4 Ų49.47%0.06723%0.231CC..Hα-helixtrans-64.8-47.7177.8-54.2167.8000110.1E130 V131 R136 V137 C138 M174 I175 R178 L248E130-I134 PolarHBondContact O-N 2.98Å; V131-I134 PolarHBondContact O-N 2.95Å; V131-I134 VanDerWaalsContact O-N 3.11Å; I134-R136 VanDerWaalsContact C-N 3.28Å; I134-R136 PolarHBondContact O-N 3.06Å; I134-V137 PolarHBondContact O-N 3.47Å; I134-V137 VanDerWaalsContact O-N 3.1Å; I134-C138 PolarHBondContact O-N 3Å; I134-C138 PolarHBondContact O-SG 2.81Å; I134-M174 HydrophobicContact CB-CE 4.37Å; I134-M174 HydrophobicContact CG1-CB 4.36Å; I134-M174 HydrophobicContact CG1-CE 3.85Å; I134-M174 HydrophobicContact CG2-CB 4.36Å; I134-I175 HydrophobicContact CG2-CG1 4.35Å; I134-R178 HydrophobicContact CD1-CB 3.83Å; I134-R178 HydrophobicContact CD1-CG 3.9Å; I134-L248 HydrophobicContact CB-CD1 4.2Å; I134-L248 HydrophobicContact CD1-CD2 4.24Å; I134-L248 HydrophobicContact CG2-CD1 3.54Å; I134-L248 HydrophobicContact CG2-CD2 4.4Å
135I94.6Very high94.5Very high16 Ų1648 Ų488%0.08222%0.224CC..Hα-helixtrans-60-38.5179.4-68.6172.4000111.4V131 V137 C138 K139 I245 L248 Q249V131-I135 HydrophobicContact CG1-CD1 3.61Å; V131-I135 HydrophobicContact CG1-CG1 4.19Å; V131-I135 WeakPolarHBondContact O-CG1 3.42Å; V131-I135 PolarHBondContact O-N 3.43Å; I135-V137 VanDerWaalsContact C-N 3.31Å; I135-V137 PolarHBondContact O-N 3.15Å; I135-C138 PolarHBondContact O-N 3.12Å; I135-K139 HydrophobicContact CG2-CD 4.09Å; I135-K139 HydrophobicContact CG2-CG 4.23Å; I135-K139 WeakPolarHBondContact O-CG 3.37Å; I135-K139 PolarHBondContact O-N 3.03Å; I135-I245 HydrophobicContact CD1-CG2 4.36Å; I135-I245 HydrophobicContact CG1-CG2 4.26Å; I135-I245 HydrophobicContact CG2-CG1 4.44Å; I135-I245 HydrophobicContact CG2-CG2 4.07Å; I135-L248 HydrophobicContact CG1-CD1 4.34Å; I135-Q249 HydrophobicContact CD1-CG 3.58Å
136R94.3Very high94.5Very high172 Ų17250 Ų5065%0.64924%0.238SC*.Hα-helixtrans-60.1-41.8176.4-171.5-178.4-61.81542.4111.9R132 K133 I134 G140R132-R136 WeakPolarHBondContact O-CB 3.21Å; R132-R136 PolarHBondContact O-N 3.32Å; K133-R136 PolarHBondContact O-N 3.42Å; I134-R136 VanDerWaalsContact C-N 3.28Å; I134-R136 PolarHBondContact O-N 3.06Å; R136-G140 PolarHBondContact O-N 3.36Å
137V97.1Very high94.5Very high27 Ų2750.5 Ų50.516%0.16425%0.245CC..Hα-helixtrans-64.6-46.1174.5176.30000110.4K133 I134 I135 K139 G140 I141 M171 M174K133-V137 PolarHBondContact O-N 3.3Å; I134-V137 PolarHBondContact O-N 3.47Å; I134-V137 VanDerWaalsContact O-N 3.1Å; I135-V137 VanDerWaalsContact C-N 3.31Å; I135-V137 PolarHBondContact O-N 3.15Å; V137-K139 PolarHBondContact O-N 3.2Å; V137-G140 PolarHBondContact O-N 2.9Å; V137-I141 WeakPolarHBondContact O-CG1 3.48Å; V137-I141 PolarHBondContact O-N 3.03Å; V137-M171 HydrophobicContact CG1-CB 4.07Å; V137-M174 HydrophobicContact CB-SD 4.32Å; V137-M174 HydrophobicContact CG2-CE 4.4Å; V137-M174 HydrophobicContact CG2-SD 3.8Å
138C96.4Very high94.3Very high0 Ų049.8 Ų49.80%024%0.241CC..Hα-helixtrans-58.4-45.1178.2-60.70000112.3I134 I135 I141 L142 M171 I241 I245I134-C138 PolarHBondContact O-N 3Å; I134-C138 PolarHBondContact O-SG 2.81Å; I135-C138 PolarHBondContact O-N 3.12Å; C138-I141 PolarHBondContact O-N 2.8Å; C138-L142 PolarHBondContact O-N 3.35Å; C138-M171 HydrophobicContact CB-SD 4.37Å; C138-I241 HydrophobicContact CB-CG2 3.88Å; C138-I245 HydrophobicContact CB-CD1 3.76Å; C138-I245 HydrophobicContact CB-CG1 3.62Å
139K94.7Very high94.1Very high112 Ų11251 Ų5149%0.48725%0.246SC..Hα-helixtrans-63.8-41.2176.1-73.5-177176.9-177.70112.3I135 V137 I141 L142 E143 I245I135-K139 HydrophobicContact CG2-CD 4.09Å; I135-K139 HydrophobicContact CG2-CG 4.23Å; I135-K139 WeakPolarHBondContact O-CG 3.37Å; I135-K139 PolarHBondContact O-N 3.03Å; V137-K139 PolarHBondContact O-N 3.2Å; K139-I141 VanDerWaalsContact C-N 3.28Å; K139-I141 PolarHBondContact O-N 3.15Å; K139-L142 WeakPolarHBondContact O-CB 3.41Å; K139-L142 PolarHBondContact O-N 3Å; K139-L142 VanDerWaalsContact O-N 3.15Å; K139-E143 WeakPolarHBondContact O-CG 3.37Å; K139-E143 PolarHBondContact O-N 2.97Å; K139-I245 HydrophobicContact CG-CD1 4.11Å
140G96.2Very high94.1Very high32 Ų3255.5 Ų55.533%0.3327%0.273SS..Hα-helixtrans-60.9-36.5174.100000112.8R136 V137 Y144R136-G140 PolarHBondContact O-N 3.36Å; V137-G140 PolarHBondContact O-N 2.9Å; G140-Y144 WeakPolarHBondContact O-CB 3.5Å; G140-Y144 PolarHBondContact O-N 3.25Å
141I96.4Very high94.1Very high12 Ų1251.4 Ų51.46%0.06225%0.254CS..Hα-helixtrans-68.6-41.9172.7-61.1-56.5000111.5V137 C138 K139 E143 Y144 L145 L164 M168 M171 I241V137-I141 WeakPolarHBondContact O-CG1 3.48Å; V137-I141 PolarHBondContact O-N 3.03Å; C138-I141 PolarHBondContact O-N 2.8Å; K139-I141 VanDerWaalsContact C-N 3.28Å; K139-I141 PolarHBondContact O-N 3.15Å; I141-E143 VanDerWaalsContact C-N 3.33Å; I141-E143 PolarHBondContact O-N 3.38Å; I141-Y144 CarbonylContact O-C 3.57Å; I141-Y144 PolarHBondContact O-N 3.31Å; I141-L145 HydrophobicContact CG2-CD1 4.18Å; I141-L145 HydrophobicContact CG2-CG 4.17Å; I141-L145 WeakPolarHBondContact O-CB 3.44Å; I141-L145 VanDerWaalsContact O-CG 3.31Å; I141-L145 WeakPolarHBondContact O-CG 3.06Å; I141-L145 PolarHBondContact O-N 3.45Å; I141-L164 HydrophobicContact CD1-CD1 4.45Å; I141-L164 HydrophobicContact CG2-CD1 4.21Å; I141-M168 HydrophobicContact CG2-SD 3.53Å; I141-M168 VanDerWaalsContact CG2-SD 3.53Å; I141-M171 HydrophobicContact CB-SD 4.31Å; I141-M171 HydrophobicContact CG1-SD 4.1Å; I141-M171 HydrophobicContact CG2-SD 4.49Å; I141-I241 HydrophobicContact CG2-CD1 3.83Å
142L95Very high93.9Very high29 Ų2956 Ų5615%0.15228%0.275CS..Hα-helixtrans-58.5-45.5174.9-76.2170.4000111.9C138 K139 Y144 L145 S146 I241 I245C138-L142 PolarHBondContact O-N 3.35Å; K139-L142 WeakPolarHBondContact O-CB 3.41Å; K139-L142 PolarHBondContact O-N 3Å; K139-L142 VanDerWaalsContact O-N 3.15Å; L142-Y144 VanDerWaalsContact C-N 3.34Å; L142-Y144 PolarHBondContact O-N 2.92Å; L142-L145 PolarHBondContact O-N 3.42Å; L142-S146 PolarHBondContact O-N 2.81Å; L142-I241 HydrophobicContact CD1-CG2 3.95Å; L142-I241 HydrophobicContact CD2-CB 3.95Å; L142-I241 HydrophobicContact CD2-CD1 4.35Å; L142-I241 HydrophobicContact CD2-CG2 4.01Å; L142-I241 HydrophobicContact CG-CB 4.22Å; L142-I241 HydrophobicContact CG-CG2 3.7Å; L142-I245 HydrophobicContact CD1-CD1 3.81Å
143E94.5Very high93.8Very high137 Ų13755.3 Ų55.364%0.6428%0.278SS*.Hα-helixtrans-59.8-45.9174.3-70.5166.9-162.600110.4K139 I141 L145 S146K139-E143 WeakPolarHBondContact O-CG 3.37Å; K139-E143 PolarHBondContact O-N 2.97Å; I141-E143 VanDerWaalsContact C-N 3.33Å; I141-E143 PolarHBondContact O-N 3.38Å; E143-L145 VanDerWaalsContact C-N 3.34Å; E143-L145 PolarHBondContact O-N 3.26Å; E143-S146 PolarHBondContact O-N 3.13Å; E143-S146 PolarHBondContact O-OG 3.2Å
144Y94.9Very high93.7Very high67 Ų6754.5 Ų54.526%0.26328%0.277SS..Hα-helixtrans-67.9-31.8178.6-155-104.4000113.4G140 I141 L142 S146 V147 Y160 N163 L164G140-Y144 WeakPolarHBondContact O-CB 3.5Å; G140-Y144 PolarHBondContact O-N 3.25Å; I141-Y144 CarbonylContact O-C 3.57Å; I141-Y144 PolarHBondContact O-N 3.31Å; L142-Y144 VanDerWaalsContact C-N 3.34Å; L142-Y144 PolarHBondContact O-N 2.92Å; Y144-S146 VanDerWaalsContact C-N 3.29Å; Y144-S146 PolarHBondContact O-N 3.22Å; Y144-V147 HydrophobicContact CD2-CG2 4.41Å; Y144-V147 VanDerWaalsContact O-CB 3.27Å; Y144-V147 WeakPolarHBondContact O-CB 3.29Å; Y144-V147 PolarHBondContact O-N 2.99Å; Y144-V147 VanDerWaalsContact O-N 3.12Å; Y144-Y160 HydrophobicContact CD1-CD2 4.41Å; Y144-Y160 HydrophobicContact CD1-CE2 4.04Å; Y144-Y160 AromaticContact CE1-CD2 3.8Å; Y144-Y160 HydrophobicContact CE1-CD2 3.8Å; Y144-Y160 AromaticContact CE1-CE2 3.9Å; Y144-Y160 HydrophobicContact CE1-CE2 3.9Å; Y144-Y160 HydrophobicContact CE1-CG 4.5Å; Y144-Y160 WeakPolarHBondContact O-CE2 3.47Å; Y144-N163 HydrophobicContact CE1-CB 3.84Å; Y144-N163 HydrophobicContact CE2-CB 4.42Å; Y144-N163 WeakPolarHBondContact OH-CB 3.25Å; Y144-N163 PolarHBondContact OH-ND2 3.03Å; Y144-N163 VanDerWaalsContact OH-ND2 3.11Å; Y144-L164 HydrophobicContact CD1-CB 4.04Å; Y144-L164 HydrophobicContact CD1-CD1 4.04Å; Y144-L164 HydrophobicContact CE1-CB 4.02Å
145L94.1Very high93.6Very high0 Ų061.1 Ų61.10%031%0.308CS..Hα-helixtrans-61.9-36.5175.6-81176.6000111.6I141 L142 E143 V147 A148 L164 L205 Y234 M237 I241I141-L145 HydrophobicContact CG2-CD1 4.18Å; I141-L145 HydrophobicContact CG2-CG 4.17Å; I141-L145 WeakPolarHBondContact O-CB 3.44Å; I141-L145 VanDerWaalsContact O-CG 3.31Å; I141-L145 WeakPolarHBondContact O-CG 3.06Å; I141-L145 PolarHBondContact O-N 3.45Å; L142-L145 PolarHBondContact O-N 3.42Å; E143-L145 VanDerWaalsContact C-N 3.34Å; E143-L145 PolarHBondContact O-N 3.26Å; L145-V147 PolarHBondContact O-N 3.46Å; L145-V147 VanDerWaalsContact O-N 3.16Å; L145-A148 WeakPolarHBondContact O-CB 3.48Å; L145-A148 PolarHBondContact O-N 3.36Å; L145-L164 HydrophobicContact CD2-CD1 4.43Å; L145-L164 HydrophobicContact CD2-CD2 4.29Å; L145-L205 HydrophobicContact CD2-CD2 3.78Å; L145-Y234 VanDerWaalsContact C-CE2 3.45Å; L145-Y234 HydrophobicContact CB-CD2 3.85Å; L145-Y234 HydrophobicContact CB-CE2 3.72Å; L145-Y234 WeakPolarHBondContact O-CD2 3.39Å; L145-M237 HydrophobicContact CD1-CB 4.24Å; L145-M237 HydrophobicContact CD2-CE 4.21Å; L145-I241 HydrophobicContact CD1-CD1 3.57Å
146S92.2Very high93.5Very high53 Ų5364 Ų6437%0.37132%0.323SS..Hα-helixtrans-61.1-23.4175.670.80000113.5L142 E143 Y144 A148 E149L142-S146 PolarHBondContact O-N 2.81Å; E143-S146 PolarHBondContact O-N 3.13Å; E143-S146 PolarHBondContact O-OG 3.2Å; Y144-S146 VanDerWaalsContact C-N 3.29Å; Y144-S146 PolarHBondContact O-N 3.22Å; S146-A148 PolarHBondContact O-N 3.49Å; S146-E149 PolarHBondContact O-N 3.24Å
147V92.9Very high93.5Very high53 Ų5356.2 Ų56.232%0.32129%0.294SS..G310 helixtrans-65.4-21.1174.4-174.80000111.4Y144 L145 E149 V150 V151 Y160Y144-V147 HydrophobicContact CD2-CG2 4.41Å; Y144-V147 VanDerWaalsContact O-CB 3.27Å; Y144-V147 WeakPolarHBondContact O-CB 3.29Å; Y144-V147 PolarHBondContact O-N 2.99Å; Y144-V147 VanDerWaalsContact O-N 3.12Å; L145-V147 PolarHBondContact O-N 3.46Å; L145-V147 VanDerWaalsContact O-N 3.16Å; V147-E149 PolarHBondContact O-N 2.66Å; V147-E149 VanDerWaalsContact O-N 3.08Å; V147-V150 HydrophobicContact CG1-CG2 3.89Å; V147-V150 WeakPolarHBondContact O-CG2 3.47Å; V147-V150 PolarHBondContact O-N 2.93Å; V147-V150 VanDerWaalsContact O-N 3.12Å; V147-V151 WeakPolarHBondContact O-CG2 3.46Å; V147-Y160 HydrophobicContact CB-CD2 4.38Å; V147-Y160 HydrophobicContact CB-CE2 4.13Å; V147-Y160 HydrophobicContact CG1-CD2 4.33Å
148A89.6Confident93.4Very high1 Ų160 Ų601%0.00831%0.313CS..G310 helixtrans-55.9-28.3175.600000112.8L145 S146 V150 Y160 I209 R230L145-A148 WeakPolarHBondContact O-CB 3.48Å; L145-A148 PolarHBondContact O-N 3.36Å; S146-A148 PolarHBondContact O-N 3.49Å; A148-V150 VanDerWaalsContact C-N 3.31Å; A148-V150 PolarHBondContact O-N 3.29Å; A148-Y160 HydrophobicContact CB-CE2 4.3Å; A148-I209 HydrophobicContact CB-CD1 4.13Å; A148-R230 PolarHBondContact O-NH1 3.42Å
149E87.9Confident93.3Very high91 Ų9163.4 Ų63.443%0.42533%0.333SS..G310 helixtrans-68.9-31.5-178.2-66.4-174.7173.200113.1S146 V147 R230 Y234S146-E149 PolarHBondContact O-N 3.24Å; V147-E149 PolarHBondContact O-N 2.66Å; V147-E149 VanDerWaalsContact O-N 3.08Å; E149-R230 PolarHBondContact O-NH1 3.49Å; E149-R230 PolarHBondContact O-NH2 2.94Å; E149-Y234 WeakPolarHBondContact OE1-CE1 3.16Å
150V91.5Very high93.4Very high102 Ų10258.2 Ų58.262%0.61831%0.311SS*.G310 helixtrans-98.53-175.4-59.60000113.5V147 A148 E152V147-V150 HydrophobicContact CG1-CG2 3.89Å; V147-V150 WeakPolarHBondContact O-CG2 3.47Å; V147-V150 PolarHBondContact O-N 2.93Å; V147-V150 VanDerWaalsContact O-N 3.12Å; A148-V150 VanDerWaalsContact C-N 3.31Å; A148-V150 PolarHBondContact O-N 3.29Å; V150-E152 PolarHBondContact O-N 3.43Å
151V93.1Very high93.3Very high5 Ų559 Ų593%0.0331%0.309CS..  trans-74.8111.6174.5-179.90000109.5V147 D156 L157 Y160 I209 V213V147-V151 WeakPolarHBondContact O-CG2 3.46Å; V151-D156 HydrophobicContact CG1-CB 3.89Å; V151-L157 HydrophobicContact CG1-CB 4.03Å; V151-Y160 HydrophobicContact CG2-CD2 4.13Å; V151-Y160 HydrophobicContact CG2-CG 4.19Å; V151-I209 HydrophobicContact CB-CG2 3.97Å; V151-I209 HydrophobicContact CG1-CG2 3.57Å; V151-V213 HydrophobicContact CG1-CG2 4.45Å
152E90.6Very high93.1Very high105 Ų10566.1 Ų66.149%0.49134%0.34SS..  trans-119-7.9-176.8-53.1-158.4151.600114.6V150 K216V150-E152 PolarHBondContact O-N 3.43Å; E152-K216 IonicContact OE1-NZ 3.46Å; E152-K216 PolarHBondContact OE1-NZ 3.49Å; E152-K216 IonicContact OE2-NZ 3.38Å; E152-K216 PolarHBondContact OE2-NZ 3.35Å
153S93.4Very high93Very high38 Ų3868.8 Ų68.827%0.26635%0.354SS..SBendtrans-128.9162.5179.782.30000113.2E155 D156 L157S153-E155 VanDerWaalsContact C-N 3.33Å; S153-D156 WeakPolarHBondContact CB-OD2 3.42Å; S153-D156 PolarHBondContact O-N 3.43Å; S153-D156 WeakPolarHBondContact OG-CB 3.5Å; S153-D156 PolarHBondContact OG-N 3.06Å; S153-D156 VanDerWaalsContact OG-N 3.14Å; S153-D156 PolarHBondContact OG-OD2 2.96Å; S153-L157 PolarHBondContact O-N 3.27Å
154M91.8Very high93Very high80 Ų8062.4 Ų62.439%0.39432%0.324SS..Hα-helixtrans-69.5-33.3179-171.16261.600111.7L157 I158 K210M154-L157 PolarHBondContact O-N 2.71Å; M154-L157 HydrophobicContact SD-CD2 3.97Å; M154-I158 HydrophobicContact CG-CD1 4.45Å; M154-I158 VanDerWaalsContact O-CG1 3.31Å; M154-I158 WeakPolarHBondContact O-CG1 3.38Å; M154-I158 PolarHBondContact O-N 3.25Å; M154-K210 HydrophobicContact CE-CG 4Å
155E93.8Very high92.9Very high152 Ų15260.3 Ų60.371%0.7132%0.324SS*.Hα-helixtrans-66-42.4175.4-174.5174.5-179.900111.2S153 L157 I158 T159S153-E155 VanDerWaalsContact C-N 3.33Å; E155-L157 VanDerWaalsContact C-N 3.33Å; E155-L157 PolarHBondContact O-N 3.13Å; E155-I158 PolarHBondContact O-N 3.37Å; E155-T159 PolarHBondContact O-N 3Å; E155-T159 PolarHBondContact O-OG1 3.37Å; E155-T159 VanDerWaalsContact O-OG1 3.06Å
156D94.4Very high92.9Very high77 Ų7764.4 Ų64.441%0.41235%0.35SS..Hα-helixtrans-62.8-40.6174.5-62.7-36.5000111.3V151 S153 I158 T159 Y160V151-D156 HydrophobicContact CG1-CB 3.89Å; S153-D156 WeakPolarHBondContact CB-OD2 3.42Å; S153-D156 PolarHBondContact O-N 3.43Å; S153-D156 WeakPolarHBondContact OG-CB 3.5Å; S153-D156 PolarHBondContact OG-N 3.06Å; S153-D156 VanDerWaalsContact OG-N 3.14Å; S153-D156 PolarHBondContact OG-OD2 2.96Å; D156-I158 PolarHBondContact O-N 2.61Å; D156-T159 PolarHBondContact O-N 3.09Å; D156-Y160 VanDerWaalsContact O-CB 3.23Å; D156-Y160 WeakPolarHBondContact O-CB 3.3Å; D156-Y160 PolarHBondContact O-N 3.22Å
157L94Very high93Very high7 Ų762.8 Ų62.84%0.03734%0.342CS..Hα-helixtrans-62.2-42.7176173.258000112.4V151 S153 M154 E155 T159 Y160 T161 I209 K210V151-L157 HydrophobicContact CG1-CB 4.03Å; S153-L157 PolarHBondContact O-N 3.27Å; M154-L157 PolarHBondContact O-N 2.71Å; M154-L157 HydrophobicContact SD-CD2 3.97Å; E155-L157 VanDerWaalsContact C-N 3.33Å; E155-L157 PolarHBondContact O-N 3.13Å; L157-T159 VanDerWaalsContact C-N 3.32Å; L157-Y160 PolarHBondContact O-N 3.32Å; L157-T161 WeakPolarHBondContact O-CB 3.36Å; L157-T161 PolarHBondContact O-N 3.05Å; L157-T161 PolarHBondContact O-OG1 2.69Å; L157-I209 HydrophobicContact CB-CG2 4.38Å; L157-I209 HydrophobicContact CD1-CB 3.84Å; L157-I209 HydrophobicContact CD1-CD1 4.2Å; L157-I209 HydrophobicContact CD1-CG2 3.69Å; L157-I209 HydrophobicContact CD2-CG2 4.3Å; L157-I209 HydrophobicContact CG-CG2 4.34Å; L157-K210 HydrophobicContact CD2-CB 3.76Å; L157-K210 HydrophobicContact CD2-CG 4.29Å
158I94.1Very high93.1Very high107 Ų10760.7 Ų60.755%0.54933%0.328SS..Hα-helixtrans-62.2-45176.9-68.4164.2000109.8M154 E155 D156 T161 K162M154-I158 HydrophobicContact CG-CD1 4.45Å; M154-I158 VanDerWaalsContact O-CG1 3.31Å; M154-I158 WeakPolarHBondContact O-CG1 3.38Å; M154-I158 PolarHBondContact O-N 3.25Å; E155-I158 PolarHBondContact O-N 3.37Å; D156-I158 PolarHBondContact O-N 2.61Å; I158-T161 PolarHBondContact O-N 3.25Å; I158-K162 WeakPolarHBondContact O-CB 3.44Å; I158-K162 PolarHBondContact O-N 3.33Å
159T94.9Very high93.4Very high71 Ų7165.4 Ų65.444%0.43636%0.357SS..Hα-helixtrans-63-45.7177.7-59.60000111.6E155 D156 L157 T161 K162 N163E155-T159 PolarHBondContact O-N 3Å; E155-T159 PolarHBondContact O-OG1 3.37Å; E155-T159 VanDerWaalsContact O-OG1 3.06Å; D156-T159 PolarHBondContact O-N 3.09Å; L157-T159 VanDerWaalsContact C-N 3.32Å; T159-T161 PolarHBondContact O-N 2.68Å; T159-K162 PolarHBondContact O-N 3.12Å; T159-N163 PolarHBondContact O-N 3.47Å; T159-N163 VanDerWaalsContact O-N 3.11Å; T159-N163 PolarHBondContact O-ND2 3.32Å
160Y95.4Very high93.9Very high4 Ų466.9 Ų66.92%0.01636%0.362CS..Hα-helixtrans-56.3-49.1175.8179.8-97.1000111.4Y144 V147 A148 V151 D156 L157 K162 N163 L164 I209Y144-Y160 HydrophobicContact CD1-CD2 4.41Å; Y144-Y160 HydrophobicContact CD1-CE2 4.04Å; Y144-Y160 AromaticContact CE1-CD2 3.8Å; Y144-Y160 HydrophobicContact CE1-CD2 3.8Å; Y144-Y160 AromaticContact CE1-CE2 3.9Å; Y144-Y160 HydrophobicContact CE1-CE2 3.9Å; Y144-Y160 HydrophobicContact CE1-CG 4.5Å; Y144-Y160 WeakPolarHBondContact O-CE2 3.47Å; V147-Y160 HydrophobicContact CB-CD2 4.38Å; V147-Y160 HydrophobicContact CB-CE2 4.13Å; V147-Y160 HydrophobicContact CG1-CD2 4.33Å; A148-Y160 HydrophobicContact CB-CE2 4.3Å; V151-Y160 HydrophobicContact CG2-CD2 4.13Å; V151-Y160 HydrophobicContact CG2-CG 4.19Å; D156-Y160 VanDerWaalsContact O-CB 3.23Å; D156-Y160 WeakPolarHBondContact O-CB 3.3Å; D156-Y160 PolarHBondContact O-N 3.22Å; L157-Y160 PolarHBondContact O-N 3.32Å; Y160-K162 PolarHBondContact O-N 3.12Å; Y160-N163 PolarHBondContact O-N 3.25Å; Y160-L164 HydrophobicContact CE1-CD2 3.65Å; Y160-L164 VanDerWaalsContact O-CB 3.29Å; Y160-L164 WeakPolarHBondContact O-CB 3.46Å; Y160-L164 PolarHBondContact O-N 3.01Å; Y160-I209 HydrophobicContact CD1-CD1 4.08Å; Y160-I209 HydrophobicContact CE1-CD1 3.85Å
161T94Very high94.1Very high48 Ų4862 Ų6229%0.29433%0.333SS..Hα-helixtrans-64-42.6-179.8-54.90000111.7L157 I158 T159 N163 L164 G165 I206L157-T161 WeakPolarHBondContact O-CB 3.36Å; L157-T161 PolarHBondContact O-N 3.05Å; L157-T161 PolarHBondContact O-OG1 2.69Å; I158-T161 PolarHBondContact O-N 3.25Å; T159-T161 PolarHBondContact O-N 2.68Å; T161-N163 VanDerWaalsContact C-N 3.27Å; T161-N163 PolarHBondContact O-N 3.39Å; T161-L164 PolarHBondContact O-N 2.95Å; T161-G165 PolarHBondContact O-N 3.05Å; T161-I206 HydrophobicContact CG2-CD1 3.89Å; T161-I206 HydrophobicContact CG2-CG1 4.47Å
162K93.9Very high94.3Very high161 Ų16162.5 Ų62.570%0.734%0.337SS*.Hα-helixtrans-62.6-33.6179.4-173.4178.4178.2-177.30112.6I158 T159 Y160 P166I158-K162 WeakPolarHBondContact O-CB 3.44Å; I158-K162 PolarHBondContact O-N 3.33Å; T159-K162 PolarHBondContact O-N 3.12Å; Y160-K162 PolarHBondContact O-N 3.12Å; K162-P166 WeakPolarHBondContact O-CD 3.26Å
163N93.1Very high94.7Very high86 Ų8663.6 Ų63.646%0.4634%0.341SS..Hα-helixtrans-87.5-35.7-179.7-68-26.7000112.8Y144 T159 Y160 T161Y144-N163 HydrophobicContact CE1-CB 3.84Å; Y144-N163 HydrophobicContact CE2-CB 4.42Å; Y144-N163 WeakPolarHBondContact OH-CB 3.25Å; Y144-N163 PolarHBondContact OH-ND2 3.03Å; Y144-N163 VanDerWaalsContact OH-ND2 3.11Å; T159-N163 PolarHBondContact O-N 3.47Å; T159-N163 VanDerWaalsContact O-N 3.11Å; T159-N163 PolarHBondContact O-ND2 3.32Å; Y160-N163 PolarHBondContact O-N 3.25Å; T161-N163 VanDerWaalsContact C-N 3.27Å; T161-N163 PolarHBondContact O-N 3.39Å
164L93.8Very high94.9Very high2 Ų263.7 Ų63.71%0.0134%0.337CS..Hα-helixtrans-70.9-43.2179.1-178.962.9000111.9I141 Y144 L145 Y160 T161 G167 M168 L202I141-L164 HydrophobicContact CD1-CD1 4.45Å; I141-L164 HydrophobicContact CG2-CD1 4.21Å; Y144-L164 HydrophobicContact CD1-CB 4.04Å; Y144-L164 HydrophobicContact CD1-CD1 4.04Å; Y144-L164 HydrophobicContact CE1-CB 4.02Å; L145-L164 HydrophobicContact CD2-CD1 4.43Å; L145-L164 HydrophobicContact CD2-CD2 4.29Å; Y160-L164 HydrophobicContact CE1-CD2 3.65Å; Y160-L164 VanDerWaalsContact O-CB 3.29Å; Y160-L164 WeakPolarHBondContact O-CB 3.46Å; Y160-L164 PolarHBondContact O-N 3.01Å; T161-L164 PolarHBondContact O-N 2.95Å; L164-G167 PolarHBondContact O-N 2.72Å; L164-G167 VanDerWaalsContact O-N 3.07Å; L164-M168 HydrophobicContact CD1-CG 3.74Å; L164-M168 HydrophobicContact CD1-SD 3.94Å; L164-M168 HydrophobicContact CG-CG 3.74Å; L164-M168 HydrophobicContact CG-SD 4.46Å; L164-M168 WeakPolarHBondContact O-CG 3.4Å; L164-M168 PolarHBondContact O-N 3.28Å; L164-L202 HydrophobicContact CD2-CD1 3.68Å; L164-L202 HydrophobicContact CG-CD1 4.38Å
165G92.1Very high95.2Very high24 Ų2460 Ų6025%0.24732%0.319CS..Hα-helixtrans-52.6-50.7-173.800000115.3T161 G167 M168 T169T161-G165 PolarHBondContact O-N 3.05Å; G165-G167 VanDerWaalsContact C-N 3.34Å; G165-G167 PolarHBondContact O-N 2.65Å; G165-M168 PolarHBondContact O-N 2.86Å; G165-T169 PolarHBondContact O-N 2.59Å; G165-T169 PolarHBondContact O-OG1 3.29Å
166P94.9Very high95.3Very high85 Ų8556.3 Ų56.355%0.55230%0.304SS*.Hα-helixtrans-61.7-39.5176.1-24.834.9000113K162 T169 K170K162-P166 WeakPolarHBondContact O-CD 3.26Å; P166-T169 PolarHBondContact O-N 2.89Å; P166-K170 WeakPolarHBondContact O-CB 3.41Å; P166-K170 PolarHBondContact O-N 3.33Å
167G94.6Very high95.5Very high19 Ų1957.5 Ų57.520%0.19631%0.307CS..Hα-helixtrans-62.5-44.8177.100000112.4L164 G165 K170 M171L164-G167 PolarHBondContact O-N 2.72Å; L164-G167 VanDerWaalsContact O-N 3.07Å; G165-G167 VanDerWaalsContact C-N 3.34Å; G165-G167 PolarHBondContact O-N 2.65Å; G167-K170 PolarHBondContact O-N 3.11Å; G167-M171 WeakPolarHBondContact O-CB 3.26Å; G167-M171 PolarHBondContact O-N 3.3Å
168M94.8Very high95.6Very high9 Ų958.1 Ų58.14%0.04431%0.309CS..Hα-helixtrans-63.2-42.1176-65.4-62.8-73.200112.2I141 L164 G165 M171 A172 V198 L202 M237I141-M168 HydrophobicContact CG2-SD 3.53Å; I141-M168 VanDerWaalsContact CG2-SD 3.53Å; L164-M168 HydrophobicContact CD1-CG 3.74Å; L164-M168 HydrophobicContact CD1-SD 3.94Å; L164-M168 HydrophobicContact CG-CG 3.74Å; L164-M168 HydrophobicContact CG-SD 4.46Å; L164-M168 WeakPolarHBondContact O-CG 3.4Å; L164-M168 PolarHBondContact O-N 3.28Å; G165-M168 PolarHBondContact O-N 2.86Å; M168-M171 HydrophobicContact CE-CE 4.09Å; M168-M171 PolarHBondContact O-N 2.66Å; M168-M171 HydrophobicContact SD-CE 3.95Å; M168-A172 WeakPolarHBondContact O-CB 3.11Å; M168-A172 PolarHBondContact O-N 3.41Å; M168-V198 HydrophobicContact CE-CG1 3.21Å; M168-L202 HydrophobicContact CG-CD2 4.41Å; M168-M237 HydrophobicContact CE-CE 3.87Å
169T95.8Very high95.7Very high100 Ų10054 Ų5461%0.61329%0.287SS*.Hα-helixtrans-64-43.8177.7-56.20000111G165 P166 A172 K173G165-T169 PolarHBondContact O-N 2.59Å; G165-T169 PolarHBondContact O-OG1 3.29Å; P166-T169 PolarHBondContact O-N 2.89Å; T169-A172 PolarHBondContact O-N 3.27Å; T169-K173 WeakPolarHBondContact O-CB 3.23Å; T169-K173 PolarHBondContact O-N 2.79Å
170K97.1Very high95.6Very high122 Ų12254.9 Ų54.953%0.5329%0.287SS..Hα-helixtrans-61.8-46.8175.8-176178.6180-179.80111.5P166 G167 K173 M174P166-K170 WeakPolarHBondContact O-CB 3.41Å; P166-K170 PolarHBondContact O-N 3.33Å; G167-K170 PolarHBondContact O-N 3.11Å; K170-K173 PolarHBondContact O-N 3.47Å; K170-M174 HydrophobicContact CG-SD 4.09Å; K170-M174 WeakPolarHBondContact O-CG 3.37Å; K170-M174 PolarHBondContact O-N 3.49Å
171M97.6Very high95.6Very high0 Ų057.9 Ų57.90%030%0.301CS..Hα-helixtrans-58.9-48.6177.1-175.4176.673.500111.4V137 C138 I141 G167 M168 K173 M174 I175 M195 V198 I241V137-M171 HydrophobicContact CG1-CB 4.07Å; C138-M171 HydrophobicContact CB-SD 4.37Å; I141-M171 HydrophobicContact CB-SD 4.31Å; I141-M171 HydrophobicContact CG1-SD 4.1Å; I141-M171 HydrophobicContact CG2-SD 4.49Å; G167-M171 WeakPolarHBondContact O-CB 3.26Å; G167-M171 PolarHBondContact O-N 3.3Å; M168-M171 HydrophobicContact CE-CE 4.09Å; M168-M171 PolarHBondContact O-N 2.66Å; M168-M171 HydrophobicContact SD-CE 3.95Å; M171-K173 VanDerWaalsContact C-N 3.33Å; M171-K173 PolarHBondContact O-N 3.48Å; M171-M174 PolarHBondContact O-N 3.03Å; M171-I175 HydrophobicContact CG-CD1 3.7Å; M171-I175 WeakPolarHBondContact O-CD1 3.38Å; M171-I175 WeakPolarHBondContact O-CG1 3.43Å; M171-I175 PolarHBondContact O-N 2.83Å; M171-M195 HydrophobicContact CE-CE 3.9Å; M171-M195 HydrophobicContact CE-SD 4.02Å; M171-V198 HydrophobicContact CE-CG1 3.97Å; M171-I241 HydrophobicContact CE-CD1 4.15Å; M171-I241 HydrophobicContact CE-CG1 4.14Å; M171-I241 HydrophobicContact SD-CD1 4.5Å; M171-I241 HydrophobicContact SD-CG1 4.43Å; M171-I241 HydrophobicContact SD-CG2 4.45Å
172A97.3Very high95.6Very high15 Ų1555.9 Ų55.912%0.12429%0.288CS..Hα-helixtrans-59.4-42.3178.900000112.5M168 T169 D176 M195M168-A172 WeakPolarHBondContact O-CB 3.11Å; M168-A172 PolarHBondContact O-N 3.41Å; T169-A172 PolarHBondContact O-N 3.27Å; A172-D176 WeakPolarHBondContact O-CB 3.29Å; A172-D176 PolarHBondContact O-N 3.36Å; A172-M195 HydrophobicContact CB-CE 3.91Å; A172-M195 HydrophobicContact CB-CG 4.34Å; A172-M195 HydrophobicContact CB-SD 4.07Å
173K97.8Very high95.4Very high129 Ų12949.2 Ų49.256%0.56126%0.261SS*.Hα-helixtrans-64-47177.2-179.8175.3172.7176.90112T169 K170 M171 I175 D176 E177T169-K173 WeakPolarHBondContact O-CB 3.23Å; T169-K173 PolarHBondContact O-N 2.79Å; K170-K173 PolarHBondContact O-N 3.47Å; M171-K173 VanDerWaalsContact C-N 3.33Å; M171-K173 PolarHBondContact O-N 3.48Å; K173-I175 VanDerWaalsContact C-N 3.31Å; K173-I175 PolarHBondContact O-N 3.05Å; K173-D176 PolarHBondContact O-N 2.93Å; K173-E177 WeakPolarHBondContact CE-OE1 3.44Å; K173-E177 IonicContact NZ-OE1 2.86Å; K173-E177 WeakPolarHBondContact O-CG 3.4Å; K173-E177 PolarHBondContact O-N 3.02Å
174M98.2Very high95.1Very high39 Ų3945.6 Ų45.619%0.19224%0.241CC..Hα-helixtrans-63.7-37.1-180-69178.480.800112.3K133 I134 V137 K170 M171 R178K133-M174 HydrophobicContact CB-CE 4.38Å; I134-M174 HydrophobicContact CB-CE 4.37Å; I134-M174 HydrophobicContact CG1-CB 4.36Å; I134-M174 HydrophobicContact CG1-CE 3.85Å; I134-M174 HydrophobicContact CG2-CB 4.36Å; V137-M174 HydrophobicContact CB-SD 4.32Å; V137-M174 HydrophobicContact CG2-CE 4.4Å; V137-M174 HydrophobicContact CG2-SD 3.8Å; K170-M174 HydrophobicContact CG-SD 4.09Å; K170-M174 WeakPolarHBondContact O-CG 3.37Å; K170-M174 PolarHBondContact O-N 3.49Å; M171-M174 PolarHBondContact O-N 3.03Å; M174-R178 VanDerWaalsContact O-CB 3.31Å; M174-R178 WeakPolarHBondContact O-CB 3.5Å; M174-R178 PolarHBondContact O-N 2.73Å
175I97.6Very high94.6Very high3 Ų349.1 Ų49.12%0.01526%0.258CS..Hα-helixtrans-69.5-39.3175.9-67.5162.1000111I134 M171 K173 R178 Q179 L191 M195 I244I134-I175 HydrophobicContact CG2-CG1 4.35Å; M171-I175 HydrophobicContact CG-CD1 3.7Å; M171-I175 WeakPolarHBondContact O-CD1 3.38Å; M171-I175 WeakPolarHBondContact O-CG1 3.43Å; M171-I175 PolarHBondContact O-N 2.83Å; K173-I175 VanDerWaalsContact C-N 3.31Å; K173-I175 PolarHBondContact O-N 3.05Å; I175-R178 PolarHBondContact O-N 2.79Å; I175-Q179 PolarHBondContact O-N 3.33Å; I175-L191 HydrophobicContact CG2-CB 4.08Å; I175-M195 HydrophobicContact CD1-CG 4.36Å; I175-M195 HydrophobicContact CD1-SD 3.53Å; I175-M195 VanDerWaalsContact CD1-SD 3.53Å; I175-M195 HydrophobicContact CG2-CB 4.37Å; I175-I244 HydrophobicContact CD1-CD1 4.02Å; I175-I244 HydrophobicContact CD1-CG2 3.63Å; I175-I244 HydrophobicContact CG1-CG2 4.1Å
176D96.8Very high94.2Very high75 Ų7551.6 Ų51.640%0.40126%0.263SS..Hα-helixtrans-65.1-44.8177.1-175.345.7000112.2A172 K173 R178 Q179 Q180A172-D176 WeakPolarHBondContact O-CB 3.29Å; A172-D176 PolarHBondContact O-N 3.36Å; K173-D176 PolarHBondContact O-N 2.93Å; D176-R178 VanDerWaalsContact C-N 3.29Å; D176-R178 PolarHBondContact O-N 2.98Å; D176-Q179 WeakPolarHBondContact O-CG 3.48Å; D176-Q179 PolarHBondContact O-N 2.89Å; D176-Q179 PolarHBondContact O-NE2 2.89Å; D176-Q179 PolarHBondContact OD1-NE2 3.11Å; D176-Q180 VanDerWaalsContact O-CG 3.32Å; D176-Q180 WeakPolarHBondContact O-CG 3.29Å; D176-Q180 PolarHBondContact O-N 3.27Å; D176-Q180 PolarHBondContact OD1-NE2 3.15Å; D176-Q180 PolarHBondContact OD2-NE2 2.96Å
177E97.1Very high93.9Very high101 Ų10147.7 Ų47.747%0.47224%0.237SC..Hα-helixtrans-60-41.6173.3-70.6170175.400110.9K173 Q180K173-E177 WeakPolarHBondContact CE-OE1 3.44Å; K173-E177 IonicContact NZ-OE1 2.86Å; K173-E177 WeakPolarHBondContact O-CG 3.4Å; K173-E177 PolarHBondContact O-N 3.02Å; E177-Q180 PolarHBondContact O-N 3.41Å
178R96.8Very high93.7Very high21 Ų2149.9 Ų49.98%0.07924%0.24CC..Hα-helixtrans-66.7-44.7179.1-178.655.6175.3-174.9-1113.3D127 V131 I134 M174 I175 D176 Q180 E181 L182 L248D127-R178 VanDerWaalsContact CG-NH2 3.29Å; D127-R178 IonicContact OD1-CZ 2.78Å; D127-R178 VanDerWaalsContact OD1-CZ 3.28Å; D127-R178 IonicContact OD1-NH1 3.31Å; D127-R178 PolarHBondContact OD1-NH1 3.46Å; D127-R178 IonicContact OD1-NH2 2.77Å; D127-R178 PolarHBondContact OD1-NH2 3.47Å; D127-R178 IonicContact OD2-CZ 3.83Å; D127-R178 IonicContact OD2-NH1 3.04Å; D127-R178 IonicContact OD2-NH2 2.62Å; D127-R178 PolarHBondContact OD2-NH2 3.17Å; V131-R178 VanDerWaalsContact CG2-NH2 3.32Å; I134-R178 HydrophobicContact CD1-CB 3.83Å; I134-R178 HydrophobicContact CD1-CG 3.9Å; M174-R178 VanDerWaalsContact O-CB 3.31Å; M174-R178 WeakPolarHBondContact O-CB 3.5Å; M174-R178 PolarHBondContact O-N 2.73Å; I175-R178 PolarHBondContact O-N 2.79Å; D176-R178 VanDerWaalsContact C-N 3.29Å; D176-R178 PolarHBondContact O-N 2.98Å; R178-Q180 PolarHBondContact O-N 3.17Å; R178-E181 PolarHBondContact O-N 3.48Å; R178-E181 VanDerWaalsContact O-N 3.1Å; R178-L182 PolarHBondContact O-N 3.28Å; R178-L248 HydrophobicContact CB-CD2 4.39Å; R178-L248 HydrophobicContact CG-CD2 3.62Å
179Q95.4Very high93.4Very high19 Ų1952.1 Ų52.19%0.08925%0.254CS..Hα-helixtrans-64.9-26.5-17969.275.41700112.3I175 D176 E181 L182 R188 L191 V192I175-Q179 PolarHBondContact O-N 3.33Å; D176-Q179 WeakPolarHBondContact O-CG 3.48Å; D176-Q179 PolarHBondContact O-N 2.89Å; D176-Q179 PolarHBondContact O-NE2 2.89Å; D176-Q179 PolarHBondContact OD1-NE2 3.11Å; Q179-E181 VanDerWaalsContact C-N 3.29Å; Q179-E181 PolarHBondContact O-N 3.38Å; Q179-L182 PolarHBondContact O-N 3.37Å; Q179-R188 HydrophobicContact CB-CB 4.42Å; Q179-R188 HydrophobicContact CB-CG 4.43Å; Q179-R188 VanDerWaalsContact O-CD 3.3Å; Q179-R188 WeakPolarHBondContact O-CD 3.29Å; Q179-R188 VanDerWaalsContact O-CG 3.3Å; Q179-R188 WeakPolarHBondContact O-CG 3.41Å; Q179-R188 PolarHBondContact O-NE 3.28Å; Q179-L191 HydrophobicContact CB-CD1 4.37Å; Q179-V192 HydrophobicContact CG-CG2 3.97Å
180Q93.6Very high93Very high90 Ų9049.7 Ų49.742%0.42124%0.236SC..Hα-helixtrans-69.6-28.9175.8-66.7173.125.800112.4K7 D176 E177 R178K7-Q180 WeakPolarHBondContact CD-O 3.46Å; K7-Q180 VanDerWaalsContact CE-O 3.24Å; K7-Q180 WeakPolarHBondContact CE-O 3.43Å; K7-Q180 PolarHBondContact NZ-O 3.27Å; D176-Q180 VanDerWaalsContact O-CG 3.32Å; D176-Q180 WeakPolarHBondContact O-CG 3.29Å; D176-Q180 PolarHBondContact O-N 3.27Å; D176-Q180 PolarHBondContact OD1-NE2 3.15Å; D176-Q180 PolarHBondContact OD2-NE2 2.96Å; E177-Q180 PolarHBondContact O-N 3.41Å; R178-Q180 PolarHBondContact O-N 3.17Å
181E95Very high92.8Very high67 Ų6743.9 Ų43.931%0.31321%0.211SC..Hα-helixtrans-81.3-22.4177.5-80.6-61.8116.900113.7T6 K7 T8 R178 Q179T6-E181 CarbonylContact C-O 3.56Å; T6-E181 WeakPolarHBondContact CA-O 3.5Å; K7-E181 PolarHBondContact N-O 3.19Å; T8-E181 PolarHBondContact N-OE2 3.38Å; T8-E181 PolarHBondContact OG1-OE2 3.41Å; R178-E181 PolarHBondContact O-N 3.48Å; R178-E181 VanDerWaalsContact O-N 3.1Å; Q179-E181 VanDerWaalsContact C-N 3.29Å; Q179-E181 PolarHBondContact O-N 3.38Å
182L93.9Very high92.6Very high7 Ų746.3 Ų46.34%0.03723%0.225CC..BIsolated β-bridgetrans-70.3142.4-177.1-67.1175000112.4H5 T6 R178 Q179 H187 R188 L191H5-L182 WeakPolarHBondContact O-CA 3.4Å; T6-L182 HydrophobicContact CG2-CD2 4.38Å; R178-L182 PolarHBondContact O-N 3.28Å; Q179-L182 PolarHBondContact O-N 3.37Å; L182-H187 HydrophobicContact CD1-CB 4.05Å; L182-R188 HydrophobicContact CB-CG 3.75Å; L182-R188 HydrophobicContact CD1-CG 4.33Å; L182-L191 HydrophobicContact CD1-CD1 3.61Å
183T90.7Very high92.2Very high21 Ų2149.8 Ų49.813%0.12924%0.242CC..SBendtrans-90.9-31.117556.20000112.3F4 H5 K7 Q185 T994F4-T183 WeakPolarHBondContact O-CG2 3.01Å; F4-T183 PolarHBondContact O-OG1 3.33Å; H5-T183 VanDerWaalsContact CA-OG1 3.23Å; H5-T183 WeakPolarHBondContact CA-OG1 3.24Å; H5-T183 PolarHBondContact O-N 3.43Å; H5-T183 PolarHBondContact O-OG1 3.33Å; K7-T183 HydrophobicContact CG-CG2 4.26Å; T183-Q185 PolarHBondContact O-N 3.3Å; T183-T994 HydrophobicContact CG2-CG2 4.23Å
184H87.1Confident92Very high9 Ų944.1 Ų44.14%0.04222%0.219CC..  trans-77.7105.9177.3-60.8132.5000111.4E186 H187 R188 W253H184-E186 VanDerWaalsContact C-N 3.26Å; H184-E186 PolarHBondContact O-N 2.71Å; H184-H187 HydrophobicContact CB-CB 4.36Å; H184-H187 AromaticContact ND1-CE1 3.6Å; H184-H187 AromaticContact ND1-ND1 3.77Å; H184-H187 PolarHBondContact O-N 2.93Å; H184-H187 VanDerWaalsContact O-N 3.17Å; H184-R188 PolarHBondContact O-N 3.21Å; H184-W253 AromaticContact CD2-CH2 3.93Å
185Q83.6Confident91.9Very high77 Ų7742.6 Ų42.636%0.3621%0.211SC..Hα-helixtrans-57.4-36.7-179.6-17462.512.500113.3T183 H187 R188 V189T183-Q185 PolarHBondContact O-N 3.3Å; Q185-H187 VanDerWaalsContact C-N 3.33Å; Q185-H187 PolarHBondContact O-N 3.2Å; Q185-R188 WeakPolarHBondContact O-CB 3.31Å; Q185-R188 PolarHBondContact O-N 2.73Å; Q185-V189 HydrophobicContact CG-CG2 4.47Å; Q185-V189 WeakPolarHBondContact O-CG2 3.47Å; Q185-V189 PolarHBondContact O-N 3.46Å
186E82.8Confident91.6Very high76 Ų7645.5 Ų45.536%0.35523%0.227SC..Hα-helixtrans-60.5-42.9179.2-63.1-168.7145.800111.4H184 R188 V189 M190 K658H184-E186 VanDerWaalsContact C-N 3.26Å; H184-E186 PolarHBondContact O-N 2.71Å; E186-R188 VanDerWaalsContact C-N 3.34Å; E186-R188 PolarHBondContact O-N 2.9Å; E186-V189 PolarHBondContact O-N 3.01Å; E186-M190 VanDerWaalsContact O-CG 3.29Å; E186-M190 WeakPolarHBondContact O-CG 3.35Å; E186-M190 PolarHBondContact O-N 3.43Å; E186-K658 IonicContact OE1-NZ 3.98Å; E186-K658 PolarHBondContact OE1-NZ 3.49Å
187H88.9Confident91.3Very high2 Ų243.8 Ų43.81%0.00922%0.219CC..Hα-helixtrans-65.7-38.6177.4-58.2174.6000111.7L182 H184 Q185 V189 M190 L191 V247 L250 S252L182-H187 HydrophobicContact CD1-CB 4.05Å; H184-H187 HydrophobicContact CB-CB 4.36Å; H184-H187 AromaticContact ND1-CE1 3.6Å; H184-H187 AromaticContact ND1-ND1 3.77Å; H184-H187 PolarHBondContact O-N 2.93Å; H184-H187 VanDerWaalsContact O-N 3.17Å; Q185-H187 VanDerWaalsContact C-N 3.33Å; Q185-H187 PolarHBondContact O-N 3.2Å; H187-V189 PolarHBondContact O-N 3.32Å; H187-M190 PolarHBondContact O-N 3.07Å; H187-L191 WeakPolarHBondContact O-CG 3.29Å; H187-L191 PolarHBondContact O-N 3.47Å; H187-V247 HydrophobicContact CB-CG1 3.92Å; H187-L250 VanDerWaalsContact CE1-CB 3.45Å; H187-L250 WeakPolarHBondContact CE1-CB 3.47Å; H187-S252 PolarHBondContact CE1-O 2.81Å
188R90.9Very high91.2Very high65 Ų6539 Ų3925%0.24520%0.197CC..Hα-helixtrans-59.4-48176-62.2177.262.5-1531.4111.1Q179 L182 H184 Q185 E186 M190 L191 V192Q179-R188 HydrophobicContact CB-CB 4.42Å; Q179-R188 HydrophobicContact CB-CG 4.43Å; Q179-R188 VanDerWaalsContact O-CD 3.3Å; Q179-R188 WeakPolarHBondContact O-CD 3.29Å; Q179-R188 VanDerWaalsContact O-CG 3.3Å; Q179-R188 WeakPolarHBondContact O-CG 3.41Å; Q179-R188 PolarHBondContact O-NE 3.28Å; L182-R188 HydrophobicContact CB-CG 3.75Å; L182-R188 HydrophobicContact CD1-CG 4.33Å; H184-R188 PolarHBondContact O-N 3.21Å; Q185-R188 WeakPolarHBondContact O-CB 3.31Å; Q185-R188 PolarHBondContact O-N 2.73Å; E186-R188 VanDerWaalsContact C-N 3.34Å; E186-R188 PolarHBondContact O-N 2.9Å; R188-M190 VanDerWaalsContact C-N 3.35Å; R188-M190 PolarHBondContact O-N 3.04Å; R188-L191 PolarHBondContact O-N 3.34Å; R188-V192 WeakPolarHBondContact O-CB 3.45Å; R188-V192 VanDerWaalsContact O-CG2 3.28Å; R188-V192 WeakPolarHBondContact O-CG2 3.08Å; R188-V192 PolarHBondContact O-N 3.11Å
189V86.6Confident91.1Very high57 Ų5743.1 Ų43.135%0.34522%0.215SC..Hα-helixtrans-61.4-43.9178.8171.90000110.8Q185 E186 H187 V192 N193Q185-V189 HydrophobicContact CG-CG2 4.47Å; Q185-V189 WeakPolarHBondContact O-CG2 3.47Å; Q185-V189 PolarHBondContact O-N 3.46Å; E186-V189 PolarHBondContact O-N 3.01Å; H187-V189 PolarHBondContact O-N 3.32Å; V189-V192 PolarHBondContact O-N 3.43Å; V189-N193 WeakPolarHBondContact CG1-ND2 3.5Å; V189-N193 VanDerWaalsContact O-CB 3.26Å; V189-N193 WeakPolarHBondContact O-CB 3.15Å; V189-N193 PolarHBondContact O-N 3.04Å; V189-N193 PolarHBondContact O-ND2 3.08Å
190M88.3Confident90.8Very high48 Ų4846.5 Ų46.524%0.23623%0.231CC..Hα-helixtrans-61.1-47.1177.4-67.2172.976.900112.1E186 H187 R188 N193 S194 E243 V247E186-M190 VanDerWaalsContact O-CG 3.29Å; E186-M190 WeakPolarHBondContact O-CG 3.35Å; E186-M190 PolarHBondContact O-N 3.43Å; H187-M190 PolarHBondContact O-N 3.07Å; R188-M190 VanDerWaalsContact C-N 3.35Å; R188-M190 PolarHBondContact O-N 3.04Å; M190-N193 PolarHBondContact O-N 2.72Å; M190-S194 PolarHBondContact O-N 3.15Å; M190-S194 PolarHBondContact O-OG 3.03Å; M190-E243 WeakPolarHBondContact CE-OE1 3.39Å; M190-V247 HydrophobicContact CB-CG1 4.25Å; M190-V247 HydrophobicContact CB-CG2 4.07Å; M190-V247 HydrophobicContact CE-CG2 3.75Å; M190-V247 HydrophobicContact SD-CG2 4.34Å
191L93.8Very high90.7Very high0 Ų042.9 Ų42.90%022%0.215CC..Hα-helixtrans-61.6-45.9177.5-71.5176.6000112.5I175 Q179 L182 H187 R188 M195 I244 V247 L248I175-L191 HydrophobicContact CG2-CB 4.08Å; Q179-L191 HydrophobicContact CB-CD1 4.37Å; L182-L191 HydrophobicContact CD1-CD1 3.61Å; H187-L191 WeakPolarHBondContact O-CG 3.29Å; H187-L191 PolarHBondContact O-N 3.47Å; R188-L191 PolarHBondContact O-N 3.34Å; L191-M195 VanDerWaalsContact O-CB 3.24Å; L191-M195 WeakPolarHBondContact O-CB 3.41Å; L191-M195 PolarHBondContact O-N 3.5Å; L191-I244 HydrophobicContact CD2-CB 4.38Å; L191-I244 HydrophobicContact CD2-CG1 4.42Å; L191-I244 HydrophobicContact CD2-CG2 4.04Å; L191-V247 HydrophobicContact CD1-CG1 4.39Å; L191-V247 HydrophobicContact CD2-CB 3.93Å; L191-V247 HydrophobicContact CD2-CG1 3.86Å; L191-V247 HydrophobicContact CG-CB 4.35Å; L191-V247 HydrophobicContact CG-CG1 3.73Å; L191-L248 HydrophobicContact CD1-CD2 4.11Å; L191-L248 HydrophobicContact CD2-CD2 4.18Å; L191-L248 HydrophobicContact CD2-CG 4.01Å
192V93.6Very high90.7Very high51 Ų5141.5 Ų41.531%0.30921%0.209SC..Hα-helixtrans-63.8-44.9179.7170.60000110.6Q179 R188 V189 M195 N196Q179-V192 HydrophobicContact CG-CG2 3.97Å; R188-V192 WeakPolarHBondContact O-CB 3.45Å; R188-V192 VanDerWaalsContact O-CG2 3.28Å; R188-V192 WeakPolarHBondContact O-CG2 3.08Å; R188-V192 PolarHBondContact O-N 3.11Å; V189-V192 PolarHBondContact O-N 3.43Å; V192-M195 PolarHBondContact O-N 2.93Å; V192-N196 WeakPolarHBondContact CG1-ND2 3.24Å; V192-N196 WeakPolarHBondContact O-CB 3.49Å; V192-N196 PolarHBondContact O-N 3.45Å; V192-N196 PolarHBondContact O-ND2 2.96Å
193N88.8Confident90.6Very high89 Ų8944.6 Ų44.648%0.47623%0.23SC..Hα-helixtrans-64.6-47.9-179.7-72.6-13.5000112.2V189 M190 M195 N196 T197V189-N193 WeakPolarHBondContact CG1-ND2 3.5Å; V189-N193 VanDerWaalsContact O-CB 3.26Å; V189-N193 WeakPolarHBondContact O-CB 3.15Å; V189-N193 PolarHBondContact O-N 3.04Å; V189-N193 PolarHBondContact O-ND2 3.08Å; M190-N193 PolarHBondContact O-N 2.72Å; N193-M195 PolarHBondContact O-N 3.06Å; N193-N196 PolarHBondContact O-N 3.42Å; N193-T197 PolarHBondContact O-N 2.96Å; N193-T197 PolarHBondContact O-OG1 3.11Å
194S92.2Very high90.7Very high9 Ų943.8 Ų43.86%0.06322%0.224CC..Hα-helixtrans-64.4-40.8177.7-71.50000111.6M190 N196 T197 V198 E240M190-S194 PolarHBondContact O-N 3.15Å; M190-S194 PolarHBondContact O-OG 3.03Å; S194-N196 PolarHBondContact O-N 3.25Å; S194-T197 PolarHBondContact O-N 3.28Å; S194-V198 VanDerWaalsContact O-CG2 3.29Å; S194-V198 WeakPolarHBondContact O-CG2 3.38Å; S194-V198 PolarHBondContact O-N 3.3Å; S194-E240 WeakPolarHBondContact CA-OE2 3.42Å; S194-E240 VanDerWaalsContact CB-OE2 3.29Å; S194-E240 WeakPolarHBondContact CB-OE2 3.38Å; S194-E240 PolarHBondContact OG-OE2 2.75Å
195M96.1Very high91Very high8 Ų843.4 Ų43.44%0.03922%0.222CC..Hα-helixtrans-67.4-35.4177.4-170.565-11600112.5M171 A172 I175 L191 V192 N193 V198 K199 I244M171-M195 HydrophobicContact CE-CE 3.9Å; M171-M195 HydrophobicContact CE-SD 4.02Å; A172-M195 HydrophobicContact CB-CE 3.91Å; A172-M195 HydrophobicContact CB-CG 4.34Å; A172-M195 HydrophobicContact CB-SD 4.07Å; I175-M195 HydrophobicContact CD1-CG 4.36Å; I175-M195 HydrophobicContact CD1-SD 3.53Å; I175-M195 VanDerWaalsContact CD1-SD 3.53Å; I175-M195 HydrophobicContact CG2-CB 4.37Å; L191-M195 VanDerWaalsContact O-CB 3.24Å; L191-M195 WeakPolarHBondContact O-CB 3.41Å; L191-M195 PolarHBondContact O-N 3.5Å; V192-M195 PolarHBondContact O-N 2.93Å; N193-M195 PolarHBondContact O-N 3.06Å; M195-V198 HydrophobicContact CE-CB 3.92Å; M195-V198 HydrophobicContact CE-CG1 3.64Å; M195-V198 PolarHBondContact O-N 2.89Å; M195-K199 HydrophobicContact CE-CG 3.89Å; M195-K199 WeakPolarHBondContact O-CG 3.33Å; M195-K199 PolarHBondContact O-N 2.91Å; M195-I244 HydrophobicContact CB-CD1 4.37Å; M195-I244 HydrophobicContact SD-CD1 4.39Å
196N91.8Very high91.5Very high63 Ų6342.1 Ų42.134%0.33722%0.218SC..Hα-helixtrans-65.9-44.7174.3-72.8-20.2000111.3V192 N193 S194 V198 K199 E200V192-N196 WeakPolarHBondContact CG1-ND2 3.24Å; V192-N196 WeakPolarHBondContact O-CB 3.49Å; V192-N196 PolarHBondContact O-N 3.45Å; V192-N196 PolarHBondContact O-ND2 2.96Å; N193-N196 PolarHBondContact O-N 3.42Å; S194-N196 PolarHBondContact O-N 3.25Å; N196-V198 VanDerWaalsContact C-N 3.29Å; N196-V198 PolarHBondContact O-N 3.06Å; N196-K199 WeakPolarHBondContact O-CB 3.48Å; N196-K199 PolarHBondContact O-N 3.13Å; N196-E200 WeakPolarHBondContact O-CG 3.3Å; N196-E200 PolarHBondContact O-N 3.29Å
197T90.6Very high92Very high40 Ų4039.3 Ų39.325%0.24521%0.207CC..Hα-helixtrans-56.1-45.5173.2-54.90000111.1N193 S194 K199 E200 L201 E240N193-T197 PolarHBondContact O-N 2.96Å; N193-T197 PolarHBondContact O-OG1 3.11Å; S194-T197 PolarHBondContact O-N 3.28Å; T197-K199 VanDerWaalsContact C-N 3.31Å; T197-K199 PolarHBondContact O-N 3.47Å; T197-E200 PolarHBondContact O-N 2.89Å; T197-L201 HydrophobicContact CG2-CD1 3.81Å; T197-L201 HydrophobicContact CG2-CG 4.23Å; T197-L201 WeakPolarHBondContact O-CB 3.49Å; T197-L201 VanDerWaalsContact O-CG 3.24Å; T197-L201 WeakPolarHBondContact O-CG 3.39Å; T197-L201 PolarHBondContact O-N 3.48Å; T197-E240 HydrophobicContact CG2-CG 3.85Å
198V95Very high92.2Very high0 Ų039.2 Ų39.20%021%0.206CC..Hα-helixtrans-61.2-37.2177.2169.60000112.3M168 M171 S194 M195 N196 L202 M237 E240 I241M168-V198 HydrophobicContact CE-CG1 3.21Å; M171-V198 HydrophobicContact CE-CG1 3.97Å; S194-V198 VanDerWaalsContact O-CG2 3.29Å; S194-V198 WeakPolarHBondContact O-CG2 3.38Å; S194-V198 PolarHBondContact O-N 3.3Å; M195-V198 HydrophobicContact CE-CB 3.92Å; M195-V198 HydrophobicContact CE-CG1 3.64Å; M195-V198 PolarHBondContact O-N 2.89Å; N196-V198 VanDerWaalsContact C-N 3.29Å; N196-V198 PolarHBondContact O-N 3.06Å; V198-L202 PolarHBondContact O-N 3.23Å; V198-M237 HydrophobicContact CG1-CE 4.27Å; V198-E240 HydrophobicContact CG2-CB 3.58Å; V198-I241 HydrophobicContact CG2-CG1 4.01Å
199K93.6Very high92.3Very high108 Ų10836.1 Ų36.147%0.4719%0.194SC..Hα-helixtrans-67.8-41.8175-72.1170.6-177.7172.30112.1M195 N196 T197 L202 P203M195-K199 HydrophobicContact CE-CG 3.89Å; M195-K199 WeakPolarHBondContact O-CG 3.33Å; M195-K199 PolarHBondContact O-N 2.91Å; N196-K199 WeakPolarHBondContact O-CB 3.48Å; N196-K199 PolarHBondContact O-N 3.13Å; T197-K199 VanDerWaalsContact C-N 3.31Å; T197-K199 PolarHBondContact O-N 3.47Å; K199-L202 PolarHBondContact O-N 3.38Å; K199-P203 WeakPolarHBondContact O-CD 3.33Å
200E90.6Very high92.7Very high90 Ų9036.7 Ų36.742%0.42119%0.192SC..Hα-helixtrans-67.5-34.8178.8-70.4172.3-166.600112.1N196 T197 P203N196-E200 WeakPolarHBondContact O-CG 3.3Å; N196-E200 PolarHBondContact O-N 3.29Å; T197-E200 PolarHBondContact O-N 2.89Å; E200-P203 WeakPolarHBondContact O-CD 3.46Å
201L92Very high92.9Very high14 Ų1434.5 Ų34.57%0.07318%0.181CC..Hα-helixtrans-77.1-21.6178.9-67.4173.8000113.7T197 I204 L205 T233 K236 M237T197-L201 HydrophobicContact CG2-CD1 3.81Å; T197-L201 HydrophobicContact CG2-CG 4.23Å; T197-L201 WeakPolarHBondContact O-CB 3.49Å; T197-L201 VanDerWaalsContact O-CG 3.24Å; T197-L201 WeakPolarHBondContact O-CG 3.39Å; T197-L201 PolarHBondContact O-N 3.48Å; L201-I204 HydrophobicContact CD2-CD1 4.32Å; L201-I204 WeakPolarHBondContact O-CB 3.43Å; L201-I204 PolarHBondContact O-N 3.2Å; L201-I204 VanDerWaalsContact O-N 3.15Å; L201-L205 PolarHBondContact O-N 3.07Å; L201-T233 HydrophobicContact CB-CG2 4.08Å; L201-T233 HydrophobicContact CD2-CG2 4.21Å; L201-K236 HydrophobicContact CD1-CB 3.99Å; L201-K236 HydrophobicContact CD1-CG 3.59Å; L201-M237 HydrophobicContact CB-CG 3.4Å; L201-M237 HydrophobicContact CB-SD 3.78Å; L201-M237 HydrophobicContact CD1-CB 4.45Å; L201-M237 HydrophobicContact CD1-CG 3.56Å; L201-M237 HydrophobicContact CG-CG 4.13Å
202L93.5Very high92.9Very high38 Ų3835 Ų3520%0.19918%0.184CC..Hα-helixtrans-61-49.3-177.517566.7000113.1L164 M168 V198 K199 I204 L205 I206 M237L164-L202 HydrophobicContact CD2-CD1 3.68Å; L164-L202 HydrophobicContact CG-CD1 4.38Å; M168-L202 HydrophobicContact CG-CD2 4.41Å; V198-L202 PolarHBondContact O-N 3.23Å; K199-L202 PolarHBondContact O-N 3.38Å; L202-I204 VanDerWaalsContact C-N 3.25Å; L202-I204 PolarHBondContact O-N 3.42Å; L202-L205 PolarHBondContact O-N 3.08Å; L202-I206 HydrophobicContact CD1-CD1 4.2Å; L202-I206 HydrophobicContact CG-CD1 4.23Å; L202-I206 WeakPolarHBondContact O-CG1 3.37Å; L202-I206 PolarHBondContact O-N 3.34Å; L202-I206 VanDerWaalsContact O-N 3.12Å; L202-M237 HydrophobicContact CB-CE 4.3Å; L202-M237 HydrophobicContact CD1-CE 4.49Å
203P92.2Very high92.8Very high72 Ų7232.8 Ų32.847%0.46817%0.17SC..Hα-helixtrans-58.5-36.3172.5-24.533.4000113.3K199 E200 I206 S207K199-P203 WeakPolarHBondContact O-CD 3.33Å; E200-P203 WeakPolarHBondContact O-CD 3.46Å; P203-I206 PolarHBondContact O-N 2.88Å; P203-S207 VanDerWaalsContact O-CB 3.29Å; P203-S207 WeakPolarHBondContact O-CB 3.34Å; P203-S207 PolarHBondContact O-N 3.28Å
204I92.3Very high92.9Very high4 Ų429.8 Ų29.82%0.02116%0.155CC..Hα-helixtrans-67.9-41.1179.9-59176000110.5L201 L202 S207 G208 T233 T700 M701 Q704L201-I204 HydrophobicContact CD2-CD1 4.32Å; L201-I204 WeakPolarHBondContact O-CB 3.43Å; L201-I204 PolarHBondContact O-N 3.2Å; L201-I204 VanDerWaalsContact O-N 3.15Å; L202-I204 VanDerWaalsContact C-N 3.25Å; L202-I204 PolarHBondContact O-N 3.42Å; I204-S207 PolarHBondContact O-N 2.97Å; I204-G208 PolarHBondContact O-N 3.43Å; I204-T233 HydrophobicContact CB-CG2 4.17Å; I204-T233 HydrophobicContact CG2-CG2 4.04Å; I204-T700 HydrophobicContact CG1-CG2 4.36Å; I204-M701 HydrophobicContact CG2-CE 3.35Å; I204-M701 HydrophobicContact CG2-SD 3.76Å; I204-Q704 HydrophobicContact CD1-CB 4.46Å; I204-Q704 HydrophobicContact CD1-CG 3.92Å
205L94Very high92.7Very high0 Ų029.4 Ų29.40%015%0.152CC..Hα-helixtrans-63.3-46.8176.6-179.461.8000110.7L145 L201 L202 S207 G208 I209 R230 T233 M237L145-L205 HydrophobicContact CD2-CD2 3.78Å; L201-L205 PolarHBondContact O-N 3.07Å; L202-L205 PolarHBondContact O-N 3.08Å; L205-S207 VanDerWaalsContact C-N 3.32Å; L205-S207 PolarHBondContact O-N 3.46Å; L205-G208 PolarHBondContact O-N 2.88Å; L205-I209 HydrophobicContact CD1-CD1 4.15Å; L205-I209 HydrophobicContact CD1-CG1 4.31Å; L205-I209 HydrophobicContact CG-CD1 4.01Å; L205-I209 VanDerWaalsContact O-CG1 3.3Å; L205-I209 WeakPolarHBondContact O-CG1 3.33Å; L205-I209 PolarHBondContact O-N 3.41Å; L205-R230 HydrophobicContact CD1-CG 4.33Å; L205-T233 HydrophobicContact CB-CG2 3.77Å; L205-T233 HydrophobicContact CD1-CG2 4.42Å; L205-M237 HydrophobicContact CB-SD 3.99Å; L205-M237 HydrophobicContact CD2-CE 4.43Å; L205-M237 HydrophobicContact CD2-SD 3.75Å; L205-M237 HydrophobicContact CG-SD 4.45Å
206I93.6Very high92.3Very high50 Ų5032.8 Ų32.826%0.25617%0.167SC..Hα-helixtrans-59.7-46.1177.6-65.3165.8000110.2T161 L202 P203 I209 K210T161-I206 HydrophobicContact CG2-CD1 3.89Å; T161-I206 HydrophobicContact CG2-CG1 4.47Å; L202-I206 HydrophobicContact CD1-CD1 4.2Å; L202-I206 HydrophobicContact CG-CD1 4.23Å; L202-I206 WeakPolarHBondContact O-CG1 3.37Å; L202-I206 PolarHBondContact O-N 3.34Å; L202-I206 VanDerWaalsContact O-N 3.12Å; P203-I206 PolarHBondContact O-N 2.88Å; I206-I209 PolarHBondContact O-N 3.1Å; I206-K210 WeakPolarHBondContact O-CB 3.44Å; I206-K210 PolarHBondContact O-N 3.06Å
207S93.4Very high92Very high18 Ų1835 Ų3513%0.12618%0.182CC..Hα-helixtrans-62.6-42.2177.2-170.90000112.1P203 I204 L205 K210 I211 H697P203-S207 VanDerWaalsContact O-CB 3.29Å; P203-S207 WeakPolarHBondContact O-CB 3.34Å; P203-S207 PolarHBondContact O-N 3.28Å; I204-S207 PolarHBondContact O-N 2.97Å; L205-S207 VanDerWaalsContact C-N 3.32Å; L205-S207 PolarHBondContact O-N 3.46Å; S207-K210 WeakPolarHBondContact O-CB 3.18Å; S207-K210 PolarHBondContact O-N 3.33Å; S207-I211 WeakPolarHBondContact O-CG2 3.35Å; S207-I211 PolarHBondContact O-N 2.98Å; S207-H697 PolarHBondContact OG-ND1 3.4Å
208G92.9Very high91.6Very high0 Ų037.1 Ų37.10%020%0.199CC..Hα-helixtrans-62.4-43.417600000113.4I204 L205 I211 F212I204-G208 PolarHBondContact O-N 3.43Å; L205-G208 PolarHBondContact O-N 2.88Å; G208-I211 VanDerWaalsContact O-CG2 3.23Å; G208-I211 WeakPolarHBondContact O-CG2 3.35Å; G208-F212 WeakPolarHBondContact O-CB 3.47Å; G208-F212 PolarHBondContact O-N 2.95Å
209I94.3Very high90.9Very high0 Ų040.3 Ų40.30%023%0.232CC..Hα-helixtrans-67.1-42.5174.4-59.3163.7000110.2A148 V151 L157 Y160 L205 I206 I211 F212 V213 R230A148-I209 HydrophobicContact CB-CD1 4.13Å; V151-I209 HydrophobicContact CB-CG2 3.97Å; V151-I209 HydrophobicContact CG1-CG2 3.57Å; L157-I209 HydrophobicContact CB-CG2 4.38Å; L157-I209 HydrophobicContact CD1-CB 3.84Å; L157-I209 HydrophobicContact CD1-CD1 4.2Å; L157-I209 HydrophobicContact CD1-CG2 3.69Å; L157-I209 HydrophobicContact CD2-CG2 4.3Å; L157-I209 HydrophobicContact CG-CG2 4.34Å; Y160-I209 HydrophobicContact CD1-CD1 4.08Å; Y160-I209 HydrophobicContact CE1-CD1 3.85Å; L205-I209 HydrophobicContact CD1-CD1 4.15Å; L205-I209 HydrophobicContact CD1-CG1 4.31Å; L205-I209 HydrophobicContact CG-CD1 4.01Å; L205-I209 VanDerWaalsContact O-CG1 3.3Å; L205-I209 WeakPolarHBondContact O-CG1 3.33Å; L205-I209 PolarHBondContact O-N 3.41Å; I206-I209 PolarHBondContact O-N 3.1Å; I209-I211 PolarHBondContact O-N 2.94Å; I209-F212 PolarHBondContact O-N 3.12Å; I209-V213 HydrophobicContact CG2-CG2 4.18Å; I209-V213 WeakPolarHBondContact O-CG2 3.25Å; I209-V213 PolarHBondContact O-N 2.8Å; I209-R230 HydrophobicContact CG1-CG 3.79Å
210K93.6Very high90.1Very high69 Ų6936.5 Ų36.530%0.322%0.219SC..Hα-helixtrans-57.3-47.6178.1-171.3-173177-174.70111.5M154 L157 I206 S207 T214 E696M154-K210 HydrophobicContact CE-CG 4Å; L157-K210 HydrophobicContact CD2-CB 3.76Å; L157-K210 HydrophobicContact CD2-CG 4.29Å; I206-K210 WeakPolarHBondContact O-CB 3.44Å; I206-K210 PolarHBondContact O-N 3.06Å; S207-K210 WeakPolarHBondContact O-CB 3.18Å; S207-K210 PolarHBondContact O-N 3.33Å; K210-T214 WeakPolarHBondContact O-CB 3.44Å; K210-T214 PolarHBondContact O-N 3.38Å; K210-T214 PolarHBondContact O-OG1 2.71Å; K210-E696 IonicContact NZ-OE2 3.76Å; K210-E696 PolarHBondContact NZ-OE2 3.49Å
211I92.8Very high89.7Confident1 Ų138.9 Ų38.91%0.00523%0.23CC..Hα-helixtrans-70.4-36180-169.258.5000111.9S207 G208 I209 T214 T215 A226 I684 A693 A694 H697S207-I211 WeakPolarHBondContact O-CG2 3.35Å; S207-I211 PolarHBondContact O-N 2.98Å; G208-I211 VanDerWaalsContact O-CG2 3.23Å; G208-I211 WeakPolarHBondContact O-CG2 3.35Å; I209-I211 PolarHBondContact O-N 2.94Å; I211-T214 PolarHBondContact O-N 3.32Å; I211-T215 HydrophobicContact CD1-CG2 3.99Å; I211-T215 HydrophobicContact CG1-CG2 4.22Å; I211-T215 WeakPolarHBondContact O-CB 3.23Å; I211-T215 WeakPolarHBondContact O-CG2 3.39Å; I211-T215 PolarHBondContact O-N 3.4Å; I211-T215 PolarHBondContact O-OG1 2.86Å; I211-A226 HydrophobicContact CG2-CB 4.05Å; I211-I684 HydrophobicContact CD1-CG2 4.02Å; I211-I684 HydrophobicContact CG1-CD1 4.43Å; I211-I684 HydrophobicContact CG1-CG2 3.9Å; I211-A693 HydrophobicContact CD1-CB 4.17Å; I211-A694 HydrophobicContact CD1-CB 3.97Å; I211-H697 HydrophobicContact CB-CB 4.42Å
212F93.8Very high89.3Confident12 Ų1238.5 Ų38.55%0.05323%0.229CC..Hα-helixtrans-60.2-51.9173.4170.3-104.3000111.9G208 I209 T214 T215 K216 V223 A226 L227G208-F212 WeakPolarHBondContact O-CB 3.47Å; G208-F212 PolarHBondContact O-N 2.95Å; I209-F212 PolarHBondContact O-N 3.12Å; F212-T214 VanDerWaalsContact C-N 3.34Å; F212-T214 PolarHBondContact O-N 3.02Å; F212-T215 PolarHBondContact O-N 2.98Å; F212-T215 PolarHBondContact O-OG1 3.46Å; F212-T215 VanDerWaalsContact O-OG1 3.08Å; F212-K216 HydrophobicContact CE1-CD 4.19Å; F212-K216 HydrophobicContact CE2-CD 4.47Å; F212-K216 HydrophobicContact CZ-CD 3.87Å; F212-K216 WeakPolarHBondContact O-CB 3.35Å; F212-K216 PolarHBondContact O-N 2.69Å; F212-V223 HydrophobicContact CD2-CG1 4.24Å; F212-V223 HydrophobicContact CE2-CG1 3.97Å; F212-A226 HydrophobicContact CB-CB 4.12Å; F212-L227 HydrophobicContact CD2-CB 4.05Å; F212-L227 HydrophobicContact CD2-CD1 4.27Å; F212-L227 HydrophobicContact CE2-CB 4.1Å; F212-L227 HydrophobicContact CE2-CD1 3.88Å; F212-L227 HydrophobicContact CE2-CG 4.48Å; F212-L227 HydrophobicContact CZ-CD1 4.32Å
213V92.3Very high89.1Confident3 Ų338.9 Ų38.92%0.01823%0.233CC..Hα-helixtrans-59.6-47177.1170.60000110.3V151 I209 T215 K216 T217V151-V213 HydrophobicContact CG1-CG2 4.45Å; I209-V213 HydrophobicContact CG2-CG2 4.18Å; I209-V213 WeakPolarHBondContact O-CG2 3.25Å; I209-V213 PolarHBondContact O-N 2.8Å; V213-T215 PolarHBondContact O-N 3.05Å; V213-K216 PolarHBondContact O-N 2.95Å; V213-T217 WeakPolarHBondContact O-CB 3.39Å; V213-T217 PolarHBondContact O-N 3.43Å; V213-T217 PolarHBondContact O-OG1 3.01Å
214T89.7Confident88.9Confident27 Ų2741 Ų4117%0.16624%0.237CC..Hα-helixtrans-60-49.8-178.7-56.10000111.7K210 I211 F212 S218 A693K210-T214 WeakPolarHBondContact O-CB 3.44Å; K210-T214 PolarHBondContact O-N 3.38Å; K210-T214 PolarHBondContact O-OG1 2.71Å; I211-T214 PolarHBondContact O-N 3.32Å; F212-T214 VanDerWaalsContact C-N 3.34Å; F212-T214 PolarHBondContact O-N 3.02Å; T214-S218 VanDerWaalsContact O-CB 3.29Å; T214-S218 WeakPolarHBondContact O-CB 3.43Å; T214-S218 PolarHBondContact O-N 3.05Å; T214-S218 PolarHBondContact O-OG 3.01Å; T214-S218 VanDerWaalsContact O-OG 3.06Å; T214-A693 HydrophobicContact CG2-CB 4.25Å
215T88.4Confident88.8Confident0 Ų041.9 Ų41.90%024%0.241CC..Hα-helixtrans-66.6-38.3-179.851.30000112.2I211 F212 V213 G219 S220 I684I211-T215 HydrophobicContact CD1-CG2 3.99Å; I211-T215 HydrophobicContact CG1-CG2 4.22Å; I211-T215 WeakPolarHBondContact O-CB 3.23Å; I211-T215 WeakPolarHBondContact O-CG2 3.39Å; I211-T215 PolarHBondContact O-N 3.4Å; I211-T215 PolarHBondContact O-OG1 2.86Å; F212-T215 PolarHBondContact O-N 2.98Å; F212-T215 PolarHBondContact O-OG1 3.46Å; F212-T215 VanDerWaalsContact O-OG1 3.08Å; V213-T215 PolarHBondContact O-N 3.05Å; T215-G219 PolarHBondContact O-N 2.9Å; T215-G219 VanDerWaalsContact O-N 3.12Å; T215-S220 WeakPolarHBondContact CA-OG 3.45Å; T215-S220 PolarHBondContact O-N 3.06Å; T215-I684 HydrophobicContact CG2-CG2 4.31Å
216K88.1Confident88.7Confident80 Ų8041.9 Ų41.935%0.34824%0.241SC..Hα-helixtrans-66.1-47.9176.8-169-176.9-173.1-173.10112E152 F212 V213 G219E152-K216 IonicContact OE1-NZ 3.46Å; E152-K216 PolarHBondContact OE1-NZ 3.49Å; E152-K216 IonicContact OE2-NZ 3.38Å; E152-K216 PolarHBondContact OE2-NZ 3.35Å; F212-K216 HydrophobicContact CE1-CD 4.19Å; F212-K216 HydrophobicContact CE2-CD 4.47Å; F212-K216 HydrophobicContact CZ-CD 3.87Å; F212-K216 WeakPolarHBondContact O-CB 3.35Å; F212-K216 PolarHBondContact O-N 2.69Å; V213-K216 PolarHBondContact O-N 2.95Å; K216-G219 PolarHBondContact O-N 3.13Å
217T85.1Confident88.6Confident108 Ų10842.2 Ų42.266%0.66324%0.243SC*.Hα-helixtrans-68.3-37.3-179.6-53.30000112V213 G219V213-T217 WeakPolarHBondContact O-CB 3.39Å; V213-T217 PolarHBondContact O-N 3.43Å; V213-T217 PolarHBondContact O-OG1 3.01Å; T217-G219 VanDerWaalsContact C-N 3.28Å; T217-G219 PolarHBondContact O-N 3.44Å
218S82.4Confident88.4Confident85 Ų8546.7 Ų46.759%0.59426%0.26SS*.Hα-helixtrans-78.9-8177.6-59.70000113.9T214 S220T214-S218 VanDerWaalsContact O-CB 3.29Å; T214-S218 WeakPolarHBondContact O-CB 3.43Å; T214-S218 PolarHBondContact O-N 3.05Å; T214-S218 PolarHBondContact O-OG 3.01Å; T214-S218 VanDerWaalsContact O-OG 3.06Å; S218-S220 PolarHBondContact O-N 2.99Å
219G79.4Confident88.4Confident68 Ų6846.7 Ų46.770%0.70126%0.26SS*.THydrogen-bonded Turntrans62.325.9-175.100000113.4T215 K216 T217T215-G219 PolarHBondContact O-N 2.9Å; T215-G219 VanDerWaalsContact O-N 3.12Å; K216-G219 PolarHBondContact O-N 3.13Å; T217-G219 VanDerWaalsContact C-N 3.28Å; T217-G219 PolarHBondContact O-N 3.44Å
220S78.2Confident88.4Confident28 Ų2847.1 Ų47.120%0.19626%0.262CS..  trans-86.7157.8-173.175.90000112.1T215 S218 N688T215-S220 WeakPolarHBondContact CA-OG 3.45Å; T215-S220 PolarHBondContact O-N 3.06Å; S218-S220 PolarHBondContact O-N 2.99Å; S220-N688 WeakPolarHBondContact CB-OD1 3.31Å; S220-N688 PolarHBondContact OG-OD1 2.93Å
221Q82.1Confident88.3Confident140 Ų14045.8 Ų45.865%0.65426%0.258SS*.THydrogen-bonded Turntrans-69141.2177.1-61.9-173.6-6.400110.2R687 N688Q221-R687 HydrophobicContact CB-CB 4.2Å; Q221-R687 HydrophobicContact CB-CG 4.46Å; Q221-N688 PolarHBondContact O-ND2 3.36Å
222G83.3Confident88.2Confident5 Ų547.9 Ų47.95%0.05227%0.267CS..THydrogen-bonded Turntrans115.43.6-179.200000116.2E224 E225 A226G222-E224 VanDerWaalsContact C-N 3.29Å; G222-E224 PolarHBondContact O-N 3.43Å; G222-E225 VanDerWaalsContact CA-OE2 3.27Å; G222-E225 WeakPolarHBondContact CA-OE2 3.22Å; G222-E225 PolarHBondContact O-N 3.33Å; G222-A226 WeakPolarHBondContact O-CB 3.27Å; G222-A226 PolarHBondContact O-N 3.27Å
223V89.3Confident88.2Confident46 Ų4647.3 Ų47.328%0.27927%0.265SS..Hα-helixtrans-60.6-38.3179.8-179.40000111.9F212 A226 L227F212-V223 HydrophobicContact CD2-CG1 4.24Å; F212-V223 HydrophobicContact CE2-CG1 3.97Å; V223-A226 PolarHBondContact O-N 3.49Å; V223-L227 VanDerWaalsContact O-CB 3.29Å; V223-L227 WeakPolarHBondContact O-CB 3.4Å; V223-L227 PolarHBondContact O-N 3.06Å
224E88.8Confident88.2Confident118 Ų11849.2 Ų49.255%0.55127%0.272SS*.Hα-helixtrans-67.9-42.9-179.8-167.6-172.3158.700111.6G222 L227 K228G222-E224 VanDerWaalsContact C-N 3.29Å; G222-E224 PolarHBondContact O-N 3.43Å; E224-L227 PolarHBondContact O-N 3.41Å; E224-K228 WeakPolarHBondContact O-CG 3.45Å; E224-K228 PolarHBondContact O-N 2.62Å; E224-K228 WeakPolarHBondContact OE1-CE 3.35Å; E224-K228 IonicContact OE1-NZ 3.28Å; E224-K228 PolarHBondContact OE1-NZ 3.07Å
225E90.4Very high88.3Confident21 Ų2153.6 Ų53.610%0.09829%0.29CS..Hα-helixtrans-62.1-44.1173.9-69.384.5171.200111.5G222 L227 K228 N229 I684 R687G222-E225 VanDerWaalsContact CA-OE2 3.27Å; G222-E225 WeakPolarHBondContact CA-OE2 3.22Å; G222-E225 PolarHBondContact O-N 3.33Å; E225-L227 VanDerWaalsContact C-N 3.34Å; E225-L227 PolarHBondContact O-N 3.06Å; E225-K228 PolarHBondContact O-N 3.14Å; E225-N229 PolarHBondContact O-N 3.47Å; E225-I684 HydrophobicContact CB-CD1 3.9Å; E225-I684 HydrophobicContact CB-CG1 3.7Å; E225-R687 IonicContact OE1-CZ 3.3Å; E225-R687 VanDerWaalsContact OE1-CZ 3.25Å; E225-R687 IonicContact OE1-NH1 3.39Å; E225-R687 PolarHBondContact OE1-NH1 2.97Å; E225-R687 IonicContact OE1-NH2 3.93Å; E225-R687 PolarHBondContact OE1-NH2 3.39Å; E225-R687 IonicContact OE2-NH1 2.67Å; E225-R687 PolarHBondContact OE2-NH1 3.25Å
226A90.7Very high88.3Confident0 Ų055.3 Ų55.30%030%0.298CS..Hα-helixtrans-62-42.1176.800000112I211 F212 G222 V223 N229 R230 I684I211-A226 HydrophobicContact CG2-CB 4.05Å; F212-A226 HydrophobicContact CB-CB 4.12Å; G222-A226 WeakPolarHBondContact O-CB 3.27Å; G222-A226 PolarHBondContact O-N 3.27Å; V223-A226 PolarHBondContact O-N 3.49Å; A226-N229 PolarHBondContact O-N 3.26Å; A226-R230 WeakPolarHBondContact O-CB 3.44Å; A226-R230 PolarHBondContact O-N 2.92Å; A226-I684 HydrophobicContact CB-CD1 4.01Å
227L90.9Very high88.6Confident58 Ų5851.5 Ų51.530%0.30428%0.282SS..Hα-helixtrans-62.2-44.7175.6-179.663.9000111.5F212 V223 E224 E225 R230 N231F212-L227 HydrophobicContact CD2-CB 4.05Å; F212-L227 HydrophobicContact CD2-CD1 4.27Å; F212-L227 HydrophobicContact CE2-CB 4.1Å; F212-L227 HydrophobicContact CE2-CD1 3.88Å; F212-L227 HydrophobicContact CE2-CG 4.48Å; F212-L227 HydrophobicContact CZ-CD1 4.32Å; V223-L227 VanDerWaalsContact O-CB 3.29Å; V223-L227 WeakPolarHBondContact O-CB 3.4Å; V223-L227 PolarHBondContact O-N 3.06Å; E224-L227 PolarHBondContact O-N 3.41Å; E225-L227 VanDerWaalsContact C-N 3.34Å; E225-L227 PolarHBondContact O-N 3.06Å; L227-R230 PolarHBondContact O-N 3.34Å; L227-N231 WeakPolarHBondContact O-CB 3.27Å; L227-N231 VanDerWaalsContact O-CG 3.28Å; L227-N231 PolarHBondContact O-N 3.42Å; L227-N231 PolarHBondContact O-OD1 3.35Å
228K90.2Very high89.1Confident111 Ų11147 Ų4748%0.48325%0.254SS..Hα-helixtrans-61.8-44.3176.4-74.7172.9-175.9167.80111.8E224 E225 N231 F232E224-K228 WeakPolarHBondContact O-CG 3.45Å; E224-K228 PolarHBondContact O-N 2.62Å; E224-K228 WeakPolarHBondContact OE1-CE 3.35Å; E224-K228 IonicContact OE1-NZ 3.28Å; E224-K228 PolarHBondContact OE1-NZ 3.07Å; E225-K228 PolarHBondContact O-N 3.14Å; K228-N231 PolarHBondContact O-N 3.42Å; K228-F232 VanDerWaalsContact O-CB 3.25Å; K228-F232 WeakPolarHBondContact O-CB 3.25Å; K228-F232 PolarHBondContact O-N 2.86Å
229N92.7Very high89.3Confident0 Ų045.5 Ų45.50%025%0.247CC..Hα-helixtrans-63.9-41.9177.6-67.5157.7000112.2E225 A226 T233 Q677 S680 M701E225-N229 PolarHBondContact O-N 3.47Å; A226-N229 PolarHBondContact O-N 3.26Å; N229-T233 PolarHBondContact O-N 3.3Å; N229-T233 VanDerWaalsContact O-N 3.15Å; N229-T233 PolarHBondContact O-OG1 2.87Å; N229-Q677 PolarHBondContact ND2-OE1 2.78Å; N229-S680 WeakPolarHBondContact ND2-CB 3.36Å; N229-S680 WeakPolarHBondContact OD1-CB 3.45Å; N229-M701 HydrophobicContact CB-CE 4.42Å
230R93.3Very high89.9Confident10 Ų1043.7 Ų43.74%0.03822%0.22CC..Hα-helixtrans-59.1-53.5174.4-176.7-165.672169.24.7111.2A148 E149 L205 I209 A226 L227 T233 Y234A148-R230 PolarHBondContact O-NH1 3.42Å; E149-R230 PolarHBondContact O-NH1 3.49Å; E149-R230 PolarHBondContact O-NH2 2.94Å; L205-R230 HydrophobicContact CD1-CG 4.33Å; I209-R230 HydrophobicContact CG1-CG 3.79Å; A226-R230 WeakPolarHBondContact O-CB 3.44Å; A226-R230 PolarHBondContact O-N 2.92Å; L227-R230 PolarHBondContact O-N 3.34Å; R230-T233 PolarHBondContact O-N 3.49Å; R230-Y234 PolarHBondContact O-N 3.39Å
231N91.9Very high90.7Very high41 Ų4142.3 Ų42.322%0.21921%0.211CC..Hα-helixtrans-65.5-41.6-175.6-70.16.7000111.7L227 K228 T233 Y234 E235L227-N231 WeakPolarHBondContact O-CB 3.27Å; L227-N231 VanDerWaalsContact O-CG 3.28Å; L227-N231 PolarHBondContact O-N 3.42Å; L227-N231 PolarHBondContact O-OD1 3.35Å; K228-N231 PolarHBondContact O-N 3.42Å; N231-T233 VanDerWaalsContact C-N 3.31Å; N231-T233 PolarHBondContact O-N 3.18Å; N231-Y234 WeakPolarHBondContact O-CB 3.4Å; N231-Y234 PolarHBondContact O-N 2.91Å; N231-E235 WeakPolarHBondContact O-CB 3.03Å; N231-E235 WeakPolarHBondContact O-CG 3.4Å; N231-E235 PolarHBondContact O-N 3.34Å
232F91.8Very high91.1Very high44 Ų4439.9 Ų39.919%0.19320%0.202CC..Hα-helixtrans-55.1-47.1173.6169.7-94.2000111.8K228 E235 K236 D673 Q677K228-F232 VanDerWaalsContact O-CB 3.25Å; K228-F232 WeakPolarHBondContact O-CB 3.25Å; K228-F232 PolarHBondContact O-N 2.86Å; F232-E235 PolarHBondContact O-N 2.96Å; F232-K236 WeakPolarHBondContact O-CB 3.41Å; F232-K236 PolarHBondContact O-N 3.01Å; F232-D673 HydrophobicContact CZ-CB 3.97Å; F232-Q677 HydrophobicContact CD1-CG 3.61Å; F232-Q677 HydrophobicContact CE1-CG 3.65Å; F232-Q677 VanDerWaalsContact CG-CD 3.47Å; F232-Q677 HydrophobicContact CG-CG 4.18Å; F232-Q677 HydrophobicContact CZ-CG 4.23Å
233T92.5Very high91.3Very high1 Ų141.9 Ų41.91%0.00621%0.21CC..Hα-helixtrans-65.4-42.8-179-51.10000111L201 I204 L205 N229 R230 N231 K236 M237L201-T233 HydrophobicContact CB-CG2 4.08Å; L201-T233 HydrophobicContact CD2-CG2 4.21Å; I204-T233 HydrophobicContact CB-CG2 4.17Å; I204-T233 HydrophobicContact CG2-CG2 4.04Å; L205-T233 HydrophobicContact CB-CG2 3.77Å; L205-T233 HydrophobicContact CD1-CG2 4.42Å; N229-T233 PolarHBondContact O-N 3.3Å; N229-T233 VanDerWaalsContact O-N 3.15Å; N229-T233 PolarHBondContact O-OG1 2.87Å; R230-T233 PolarHBondContact O-N 3.49Å; N231-T233 VanDerWaalsContact C-N 3.31Å; N231-T233 PolarHBondContact O-N 3.18Å; T233-K236 PolarHBondContact O-N 3.13Å; T233-M237 HydrophobicContact CG2-SD 4.22Å; T233-M237 WeakPolarHBondContact O-CB 3.43Å; T233-M237 VanDerWaalsContact O-CG 3.27Å; T233-M237 WeakPolarHBondContact O-CG 3.4Å; T233-M237 PolarHBondContact O-N 3.06Å
234Y92.6Very high91.5Very high42 Ų4239.8 Ų39.817%0.16520%0.197CC..Hα-helixtrans-59.6-49.2174.8158.1-106.6000112.7L145 E149 R230 N231 K236 M237 S238L145-Y234 VanDerWaalsContact C-CE2 3.45Å; L145-Y234 HydrophobicContact CB-CD2 3.85Å; L145-Y234 HydrophobicContact CB-CE2 3.72Å; L145-Y234 WeakPolarHBondContact O-CD2 3.39Å; E149-Y234 WeakPolarHBondContact OE1-CE1 3.16Å; R230-Y234 PolarHBondContact O-N 3.39Å; N231-Y234 WeakPolarHBondContact O-CB 3.4Å; N231-Y234 PolarHBondContact O-N 2.91Å; Y234-K236 VanDerWaalsContact C-N 3.35Å; Y234-K236 PolarHBondContact O-N 3.48Å; Y234-M237 PolarHBondContact O-N 3.5Å; Y234-S238 WeakPolarHBondContact CE2-OG 3.47Å; Y234-S238 WeakPolarHBondContact O-CB 3.28Å; Y234-S238 PolarHBondContact O-N 3.39Å; Y234-S238 PolarHBondContact O-OG 3.45Å
235E91.3Very high91.6Very high119 Ų11934.8 Ų34.856%0.55617%0.174SC*.Hα-helixtrans-62.1-44179.5-74.8174.1-172.900111N231 F232 S238 A239N231-E235 WeakPolarHBondContact O-CB 3.03Å; N231-E235 WeakPolarHBondContact O-CG 3.4Å; N231-E235 PolarHBondContact O-N 3.34Å; F232-E235 PolarHBondContact O-N 2.96Å; E235-S238 PolarHBondContact O-N 3.38Å; E235-A239 WeakPolarHBondContact O-CB 3.27Å; E235-A239 PolarHBondContact O-N 3.37Å
236K89.9Confident91.5Very high37 Ų3736.2 Ų36.216%0.16118%0.179CC..Hα-helixtrans-63.7-47.2178.1-171.673.4-174.5-165.20111.8L201 F232 T233 Y234 S238 A239 E240 D673L201-K236 HydrophobicContact CD1-CB 3.99Å; L201-K236 HydrophobicContact CD1-CG 3.59Å; F232-K236 WeakPolarHBondContact O-CB 3.41Å; F232-K236 PolarHBondContact O-N 3.01Å; T233-K236 PolarHBondContact O-N 3.13Å; Y234-K236 VanDerWaalsContact C-N 3.35Å; Y234-K236 PolarHBondContact O-N 3.48Å; K236-S238 VanDerWaalsContact C-N 3.28Å; K236-S238 PolarHBondContact O-N 2.9Å; K236-A239 PolarHBondContact O-N 3.5Å; K236-E240 WeakPolarHBondContact O-CG 3.36Å; K236-E240 PolarHBondContact O-N 2.92Å; K236-E240 VanDerWaalsContact O-N 3.11Å; K236-D673 IonicContact NZ-OD2 2.62Å; K236-D673 PolarHBondContact NZ-OD2 3.23Å
237M94.8Very high91.5Very high0 Ų036.3 Ų36.30%018%0.18CC..Hα-helixtrans-58.9-42.6175.3-74.4179.874.500111.5L145 M168 V198 L201 L202 L205 T233 Y234 A239 E240 I241L145-M237 HydrophobicContact CD1-CB 4.24Å; L145-M237 HydrophobicContact CD2-CE 4.21Å; M168-M237 HydrophobicContact CE-CE 3.87Å; V198-M237 HydrophobicContact CG1-CE 4.27Å; L201-M237 HydrophobicContact CB-CG 3.4Å; L201-M237 HydrophobicContact CB-SD 3.78Å; L201-M237 HydrophobicContact CD1-CB 4.45Å; L201-M237 HydrophobicContact CD1-CG 3.56Å; L201-M237 HydrophobicContact CG-CG 4.13Å; L202-M237 HydrophobicContact CB-CE 4.3Å; L202-M237 HydrophobicContact CD1-CE 4.49Å; L205-M237 HydrophobicContact CB-SD 3.99Å; L205-M237 HydrophobicContact CD2-CE 4.43Å; L205-M237 HydrophobicContact CD2-SD 3.75Å; L205-M237 HydrophobicContact CG-SD 4.45Å; T233-M237 HydrophobicContact CG2-SD 4.22Å; T233-M237 WeakPolarHBondContact O-CB 3.43Å; T233-M237 VanDerWaalsContact O-CG 3.27Å; T233-M237 WeakPolarHBondContact O-CG 3.4Å; T233-M237 PolarHBondContact O-N 3.06Å; Y234-M237 PolarHBondContact O-N 3.5Å; M237-A239 PolarHBondContact O-N 2.88Å; M237-E240 PolarHBondContact O-N 3.49Å; M237-I241 WeakPolarHBondContact O-CG1 3.39Å; M237-I241 PolarHBondContact O-N 3.49Å
238S93.6Very high91.5Very high13 Ų1333.8 Ų33.89%0.09117%0.166CC..Hα-helixtrans-64.9-39.2178.8-60.70000112.1Y234 E235 K236 I241 N242Y234-S238 WeakPolarHBondContact CE2-OG 3.47Å; Y234-S238 WeakPolarHBondContact O-CB 3.28Å; Y234-S238 PolarHBondContact O-N 3.39Å; Y234-S238 PolarHBondContact O-OG 3.45Å; E235-S238 PolarHBondContact O-N 3.38Å; K236-S238 VanDerWaalsContact C-N 3.28Å; K236-S238 PolarHBondContact O-N 2.9Å; S238-I241 PolarHBondContact O-N 3.29Å; S238-N242 PolarHBondContact O-N 3.39Å; S238-N242 PolarHBondContact O-ND2 3.24Å
239A87.8Confident91.4Very high53 Ų5333.9 Ų33.944%0.43817%0.168SC..Hα-helixtrans-62.1-45.1175.200000111.9E235 K236 M237 I241 N242 E243E235-A239 WeakPolarHBondContact O-CB 3.27Å; E235-A239 PolarHBondContact O-N 3.37Å; K236-A239 PolarHBondContact O-N 3.5Å; M237-A239 PolarHBondContact O-N 2.88Å; A239-I241 PolarHBondContact O-N 3.21Å; A239-N242 PolarHBondContact O-N 3.49Å; A239-E243 PolarHBondContact O-N 2.9Å
240E92.4Very high91.2Very high30 Ų3035.4 Ų35.414%0.1418%0.176CC..Hα-helixtrans-66.3-36.9178.2-64.1-59.1148.300112.5S194 T197 V198 K236 M237 E243 I244S194-E240 WeakPolarHBondContact CA-OE2 3.42Å; S194-E240 VanDerWaalsContact CB-OE2 3.29Å; S194-E240 WeakPolarHBondContact CB-OE2 3.38Å; S194-E240 PolarHBondContact OG-OE2 2.75Å; T197-E240 HydrophobicContact CG2-CG 3.85Å; V198-E240 HydrophobicContact CG2-CB 3.58Å; K236-E240 WeakPolarHBondContact O-CG 3.36Å; K236-E240 PolarHBondContact O-N 2.92Å; K236-E240 VanDerWaalsContact O-N 3.11Å; M237-E240 PolarHBondContact O-N 3.49Å; E240-E243 PolarHBondContact O-N 3.41Å; E240-I244 WeakPolarHBondContact O-CG1 3.36Å; E240-I244 PolarHBondContact O-N 3.24Å
241I95.4Very high90.8Very high0 Ų037.1 Ų37.10%019%0.188CC..Hα-helixtrans-67.7-37.1174.7-64.6168000111.2C138 I141 L142 L145 M171 V198 M237 S238 A239 E243 I244 I245C138-I241 HydrophobicContact CB-CG2 3.88Å; I141-I241 HydrophobicContact CG2-CD1 3.83Å; L142-I241 HydrophobicContact CD1-CG2 3.95Å; L142-I241 HydrophobicContact CD2-CB 3.95Å; L142-I241 HydrophobicContact CD2-CD1 4.35Å; L142-I241 HydrophobicContact CD2-CG2 4.01Å; L142-I241 HydrophobicContact CG-CB 4.22Å; L142-I241 HydrophobicContact CG-CG2 3.7Å; L145-I241 HydrophobicContact CD1-CD1 3.57Å; M171-I241 HydrophobicContact CE-CD1 4.15Å; M171-I241 HydrophobicContact CE-CG1 4.14Å; M171-I241 HydrophobicContact SD-CD1 4.5Å; M171-I241 HydrophobicContact SD-CG1 4.43Å; M171-I241 HydrophobicContact SD-CG2 4.45Å; V198-I241 HydrophobicContact CG2-CG1 4.01Å; M237-I241 WeakPolarHBondContact O-CG1 3.39Å; M237-I241 PolarHBondContact O-N 3.49Å; S238-I241 PolarHBondContact O-N 3.29Å; A239-I241 PolarHBondContact O-N 3.21Å; I241-E243 VanDerWaalsContact C-N 3.33Å; I241-I244 WeakPolarHBondContact O-CB 3.32Å; I241-I244 PolarHBondContact O-N 3.05Å; I241-I245 HydrophobicContact CG2-CD1 4.26Å; I241-I245 WeakPolarHBondContact O-CG1 3.5Å; I241-I245 PolarHBondContact O-N 3.34Å
242N89.1Confident90.3Very high88 Ų8837.5 Ų37.547%0.47119%0.194SC..Hα-helixtrans-65.7-36.9173.1-79.5-63.8000112.1S238 A239 I245 R246S238-N242 PolarHBondContact O-N 3.39Å; S238-N242 PolarHBondContact O-ND2 3.24Å; A239-N242 PolarHBondContact O-N 3.49Å; N242-I245 PolarHBondContact O-N 3Å; N242-R246 PolarHBondContact O-N 2.77Å
243E87.4Confident89.4Confident48 Ų4838.4 Ų38.422%0.22420%0.196CC..Hα-helixtrans-65.7-41.3174-177.160.6-175.300111.6M190 A239 E240 I241 I245 R246 V247M190-E243 WeakPolarHBondContact CE-OE1 3.39Å; A239-E243 PolarHBondContact O-N 2.9Å; E240-E243 PolarHBondContact O-N 3.41Å; I241-E243 VanDerWaalsContact C-N 3.33Å; E243-I245 VanDerWaalsContact C-N 3.34Å; E243-I245 PolarHBondContact O-N 3.42Å; E243-R246 WeakPolarHBondContact O-CB 3.21Å; E243-R246 PolarHBondContact O-N 2.9Å; E243-R246 IonicContact OE1-CZ 3.46Å; E243-R246 IonicContact OE1-NE 3.84Å; E243-R246 PolarHBondContact OE1-NE 2.97Å; E243-R246 IonicContact OE1-NH2 2.64Å; E243-R246 PolarHBondContact OE1-NH2 2.85Å; E243-R246 IonicContact OE2-CZ 2.76Å; E243-R246 IonicContact OE2-NE 2.74Å; E243-R246 PolarHBondContact OE2-NE 3.21Å; E243-R246 IonicContact OE2-NH2 2.93Å; E243-V247 HydrophobicContact CG-CG2 4.36Å; E243-V247 WeakPolarHBondContact O-CG2 3.44Å; E243-V247 PolarHBondContact O-N 2.84Å
244I93.9Very high88.3Confident1 Ų139.4 Ų39.41%0.00520%0.201CC..Hα-helixtrans-55.9-49.4171.2-72.4160.9000110.7I175 L191 M195 E240 I241 R246 V247 L248I175-I244 HydrophobicContact CD1-CD1 4.02Å; I175-I244 HydrophobicContact CD1-CG2 3.63Å; I175-I244 HydrophobicContact CG1-CG2 4.1Å; L191-I244 HydrophobicContact CD2-CB 4.38Å; L191-I244 HydrophobicContact CD2-CG1 4.42Å; L191-I244 HydrophobicContact CD2-CG2 4.04Å; M195-I244 HydrophobicContact CB-CD1 4.37Å; M195-I244 HydrophobicContact SD-CD1 4.39Å; E240-I244 WeakPolarHBondContact O-CG1 3.36Å; E240-I244 PolarHBondContact O-N 3.24Å; I241-I244 WeakPolarHBondContact O-CB 3.32Å; I241-I244 PolarHBondContact O-N 3.05Å; I244-R246 VanDerWaalsContact C-N 3.27Å; I244-R246 PolarHBondContact O-N 3.21Å; I244-V247 PolarHBondContact O-N 3.24Å; I244-L248 HydrophobicContact CG2-CD1 3.75Å; I244-L248 HydrophobicContact CG2-CG 4.24Å; I244-L248 WeakPolarHBondContact O-CB 3.46Å; I244-L248 WeakPolarHBondContact O-CG 3.3Å; I244-L248 PolarHBondContact O-N 2.81Å
245I91.2Very high86.9Confident14 Ų1444.1 Ų44.17%0.07223%0.225CC..Hα-helixtrans-58-41.6178.6-71.1166.5000110.9I135 C138 K139 L142 I241 N242 E243 Q249I135-I245 HydrophobicContact CD1-CG2 4.36Å; I135-I245 HydrophobicContact CG1-CG2 4.26Å; I135-I245 HydrophobicContact CG2-CG1 4.44Å; I135-I245 HydrophobicContact CG2-CG2 4.07Å; C138-I245 HydrophobicContact CB-CD1 3.76Å; C138-I245 HydrophobicContact CB-CG1 3.62Å; K139-I245 HydrophobicContact CG-CD1 4.11Å; L142-I245 HydrophobicContact CD1-CD1 3.81Å; I241-I245 HydrophobicContact CG2-CD1 4.26Å; I241-I245 WeakPolarHBondContact O-CG1 3.5Å; I241-I245 PolarHBondContact O-N 3.34Å; N242-I245 PolarHBondContact O-N 3Å; E243-I245 VanDerWaalsContact C-N 3.34Å; E243-I245 PolarHBondContact O-N 3.42Å; I245-Q249 PolarHBondContact O-NE2 3.46Å
246R88.3Confident85.5Confident51 Ų5141 Ų4119%0.19221%0.212CC..Hα-helixtrans-63.7-52.4178-169.8-169.172.879.62.7111.3N242 E243 I244 L248 Q249 D254N242-R246 PolarHBondContact O-N 2.77Å; E243-R246 WeakPolarHBondContact O-CB 3.21Å; E243-R246 PolarHBondContact O-N 2.9Å; E243-R246 IonicContact OE1-CZ 3.46Å; E243-R246 IonicContact OE1-NE 3.84Å; E243-R246 PolarHBondContact OE1-NE 2.97Å; E243-R246 IonicContact OE1-NH2 2.64Å; E243-R246 PolarHBondContact OE1-NH2 2.85Å; E243-R246 IonicContact OE2-CZ 2.76Å; E243-R246 IonicContact OE2-NE 2.74Å; E243-R246 PolarHBondContact OE2-NE 3.21Å; E243-R246 IonicContact OE2-NH2 2.93Å; I244-R246 VanDerWaalsContact C-N 3.27Å; I244-R246 PolarHBondContact O-N 3.21Å; R246-L248 VanDerWaalsContact C-N 3.31Å; R246-L248 PolarHBondContact O-N 3.19Å; R246-Q249 PolarHBondContact O-N 2.98Å; R246-Q249 VanDerWaalsContact O-N 3.16Å; R246-D254 IonicContact CZ-OD2 3.76Å; R246-D254 VanDerWaalsContact CZ-OD2 3.23Å; R246-D254 VanDerWaalsContact NH1-CG 3.27Å; R246-D254 IonicContact NH1-OD1 2.93Å; R246-D254 PolarHBondContact NH1-OD1 2.88Å; R246-D254 IonicContact NH1-OD2 3.66Å; R246-D254 PolarHBondContact NH1-OD2 2.98Å; R246-D254 IonicContact NH2-OD2 3.82Å; R246-D254 PolarHBondContact NH2-OD2 2.91Å
247V89.8Confident84.4Confident2 Ų240.1 Ų40.11%0.01221%0.211CC..Hα-helixtrans-63.9-36-176.5176.30000111.9H187 M190 L191 E243 I244 Q249 L250H187-V247 HydrophobicContact CB-CG1 3.92Å; M190-V247 HydrophobicContact CB-CG1 4.25Å; M190-V247 HydrophobicContact CB-CG2 4.07Å; M190-V247 HydrophobicContact CE-CG2 3.75Å; M190-V247 HydrophobicContact SD-CG2 4.34Å; L191-V247 HydrophobicContact CD1-CG1 4.39Å; L191-V247 HydrophobicContact CD2-CB 3.93Å; L191-V247 HydrophobicContact CD2-CG1 3.86Å; L191-V247 HydrophobicContact CG-CB 4.35Å; L191-V247 HydrophobicContact CG-CG1 3.73Å; E243-V247 HydrophobicContact CG-CG2 4.36Å; E243-V247 WeakPolarHBondContact O-CG2 3.44Å; E243-V247 PolarHBondContact O-N 2.84Å; I244-V247 PolarHBondContact O-N 3.24Å; V247-Q249 PolarHBondContact O-N 2.75Å; V247-Q249 VanDerWaalsContact O-N 3.16Å; V247-L250 HydrophobicContact CB-CD1 4.48Å; V247-L250 HydrophobicContact CG1-CD1 4.38Å; V247-L250 WeakPolarHBondContact O-CB 3.38Å; V247-L250 PolarHBondContact O-N 3.5Å; V247-L250 VanDerWaalsContact O-N 3.12Å
248L92.1Very high83Confident5 Ų544.6 Ų44.63%0.02623%0.228CC..Hα-helixtrans-59-26.1177.1-77.2170.2000113.8V131 I134 I135 R178 L191 I244 R246V131-L248 HydrophobicContact CG1-CB 4.15Å; V131-L248 WeakPolarHBondContact CG1-O 3.47Å; I134-L248 HydrophobicContact CB-CD1 4.2Å; I134-L248 HydrophobicContact CD1-CD2 4.24Å; I134-L248 HydrophobicContact CG2-CD1 3.54Å; I134-L248 HydrophobicContact CG2-CD2 4.4Å; I135-L248 HydrophobicContact CG1-CD1 4.34Å; R178-L248 HydrophobicContact CB-CD2 4.39Å; R178-L248 HydrophobicContact CG-CD2 3.62Å; L191-L248 HydrophobicContact CD1-CD2 4.11Å; L191-L248 HydrophobicContact CD2-CD2 4.18Å; L191-L248 HydrophobicContact CD2-CG 4.01Å; I244-L248 HydrophobicContact CG2-CD1 3.75Å; I244-L248 HydrophobicContact CG2-CG 4.24Å; I244-L248 WeakPolarHBondContact O-CB 3.46Å; I244-L248 WeakPolarHBondContact O-CG 3.3Å; I244-L248 PolarHBondContact O-N 2.81Å; R246-L248 VanDerWaalsContact C-N 3.31Å; R246-L248 PolarHBondContact O-N 3.19Å
249Q87.9Confident81.7Confident113 Ų11344 Ų4453%0.52822%0.224SC..THydrogen-bonded Turntrans-90.1-4.4-178.2-66.5170.380.400113.1V131 I135 I245 R246 V247 T251V131-Q249 HydrophobicContact CG1-CG 4.28Å; I135-Q249 HydrophobicContact CD1-CG 3.58Å; I245-Q249 PolarHBondContact O-NE2 3.46Å; R246-Q249 PolarHBondContact O-N 2.98Å; R246-Q249 VanDerWaalsContact O-N 3.16Å; V247-Q249 PolarHBondContact O-N 2.75Å; V247-Q249 VanDerWaalsContact O-N 3.16Å; Q249-T251 PolarHBondContact O-N 2.83Å
250L88.6Confident80.7Confident31 Ų3143.7 Ų43.716%0.16222%0.215CC..  trans-75.8118.6-179.5-64.3173.1000111.2H187 V247 D254H187-L250 VanDerWaalsContact CE1-CB 3.45Å; H187-L250 WeakPolarHBondContact CE1-CB 3.47Å; V247-L250 HydrophobicContact CB-CD1 4.48Å; V247-L250 HydrophobicContact CG1-CD1 4.38Å; V247-L250 WeakPolarHBondContact O-CB 3.38Å; V247-L250 PolarHBondContact O-N 3.5Å; V247-L250 VanDerWaalsContact O-N 3.12Å; L250-D254 HydrophobicContact CD1-CB 3.92Å; L250-D254 HydrophobicContact CD2-CB 4.49Å
251T84.6Confident79.8Confident47 Ų4746.8 Ų46.829%0.28823%0.228SC..SBendtrans-105-8.1177.458.80000113.1H5 L124 Q249H5-T251 WeakPolarHBondContact CB-O 3.41Å; L124-T251 HydrophobicContact CD1-CG2 3.94Å; Q249-T251 PolarHBondContact O-N 2.83Å
252S81Confident79.1Confident48 Ų4847.2 Ų47.234%0.33623%0.23SC..SBendtrans-149.1-169.6178.665.20000109.6H187H187-S252 PolarHBondContact CE1-O 2.81Å
253W72.8Confident78.6Confident63 Ų6343.6 Ų43.624%0.23921%0.212CC..  trans-59.6138-176.6-52.3101.2000112.1H184 E255 H1029 N1033H184-W253 AromaticContact CD2-CH2 3.93Å; W253-E255 PolarHBondContact O-N 2.72Å; W253-H1029 AromaticContact CD1-CE1 3.51Å; W253-H1029 AromaticContact CD1-ND1 3.21Å; W253-H1029 AromaticContact CD2-CE1 3.23Å; W253-H1029 AromaticContact CD2-ND1 3.52Å; W253-H1029 AromaticContact CE2-CE1 3.42Å; W253-H1029 VanDerWaalsContact CE2-CE1 3.42Å; W253-H1029 AromaticContact CE2-ND1 3.19Å; W253-H1029 AromaticContact CE3-CE1 3.76Å; W253-H1029 AromaticContact CG-CE1 3.33Å; W253-H1029 AromaticContact CG-ND1 3.55Å; W253-H1029 AromaticContact CZ2-ND1 3.86Å; W253-H1029 AromaticContact NE1-CE1 3.58Å; W253-H1029 AromaticContact NE1-ND1 3Å; W253-H1029 PolarHBondContact NE1-ND1 2.91Å; W253-N1033 WeakPolarHBondContact CH2-ND2 3.43Å; W253-N1033 WeakPolarHBondContact CZ2-ND2 3.25Å
254D69.8Low78.2Confident22 Ų2245.6 Ų45.612%0.11822%0.221CC..  trans-77.986.1-176.7-166.4-4.7000111.9R246 L250 D256 A257R246-D254 IonicContact CZ-OD2 3.76Å; R246-D254 VanDerWaalsContact CZ-OD2 3.23Å; R246-D254 VanDerWaalsContact NH1-CG 3.27Å; R246-D254 IonicContact NH1-OD1 2.93Å; R246-D254 PolarHBondContact NH1-OD1 2.88Å; R246-D254 IonicContact NH1-OD2 3.66Å; R246-D254 PolarHBondContact NH1-OD2 2.98Å; R246-D254 IonicContact NH2-OD2 3.82Å; R246-D254 PolarHBondContact NH2-OD2 2.91Å; L250-D254 HydrophobicContact CD1-CB 3.92Å; L250-D254 HydrophobicContact CD2-CB 4.49Å; D254-D256 PolarHBondContact O-N 2.62Å; D254-D256 PolarHBondContact OD1-N 3.49Å; D254-D256 VanDerWaalsContact OD1-N 3.1Å; D254-A257 HydrophobicContact CB-CB 4.04Å; D254-A257 PolarHBondContact OD1-N 2.85Å; D254-A257 WeakPolarHBondContact OD2-CB 3.48Å
255E63.3Low77.6Confident142 Ų14247 Ų4766%0.66423%0.233SC*.SBendtrans-63.6-22.2173.6-64.1-177.8177.500112.7W253W253-E255 PolarHBondContact O-N 2.72Å
256D62.9Low77.3Confident53 Ų5346.5 Ų46.528%0.28323%0.23SC..SBendtrans-97-13.5-173.9-80.6-37.5000114.5D254 W258 A259 K384D254-D256 PolarHBondContact O-N 2.62Å; D254-D256 PolarHBondContact OD1-N 3.49Å; D254-D256 VanDerWaalsContact OD1-N 3.1Å; D256-W258 PolarHBondContact O-N 3.44Å; D256-A259 VanDerWaalsContact O-CB 3.28Å; D256-A259 WeakPolarHBondContact O-CB 3.25Å; D256-A259 PolarHBondContact O-N 3.49Å; D256-K384 VanDerWaalsContact CG-NZ 3.3Å; D256-K384 VanDerWaalsContact OD1-CE 3.26Å; D256-K384 WeakPolarHBondContact OD1-CE 3.33Å; D256-K384 IonicContact OD1-NZ 3.8Å; D256-K384 PolarHBondContact OD1-NZ 3.48Å; D256-K384 WeakPolarHBondContact OD2-CE 3.26Å; D256-K384 IonicContact OD2-NZ 3.41Å; D256-K384 PolarHBondContact OD2-NZ 3.09Å
257A66.2Low77Confident18 Ų1848.8 Ų48.815%0.14924%0.241CC..Hα-helixtrans-48.3-39.4175.700000112.4D254 K261D254-A257 HydrophobicContact CB-CB 4.04Å; D254-A257 PolarHBondContact OD1-N 2.85Å; D254-A257 WeakPolarHBondContact OD2-CB 3.48Å; A257-K261 WeakPolarHBondContact O-CG 3.26Å
258W64.7Low76.6Confident95 Ų9554.8 Ų54.836%0.3626%0.264SS..Hα-helixtrans-78.7-31.7-176.6-66.8113000113.3D256 N260 K261 D262 K491 V494D256-W258 PolarHBondContact O-N 3.44Å; W258-N260 PolarHBondContact O-N 2.94Å; W258-K261 HydrophobicContact CE3-CD 4.22Å; W258-K261 HydrophobicContact CZ3-CD 4.39Å; W258-K261 PolarHBondContact O-N 3.24Å; W258-D262 WeakPolarHBondContact O-CB 3.31Å; W258-D262 PolarHBondContact O-N 3.15Å; W258-K491 HydrophobicContact CD2-CD 4.04Å; W258-K491 HydrophobicContact CE3-CD 3.91Å; W258-K491 VanDerWaalsContact CE3-NZ 3.29Å; W258-K491 HydrophobicContact CG-CD 4.39Å; W258-K491 HydrophobicContact CZ3-CD 4.38Å; W258-V494 HydrophobicContact CH2-CG1 4.36Å
259A65.7Low76.2Confident0 Ų054.7 Ų54.70%026%0.263CS..Hα-helixtrans-57.6-49.7-179.500000112.1D256 T263 T381 R488D256-A259 VanDerWaalsContact O-CB 3.28Å; D256-A259 WeakPolarHBondContact O-CB 3.25Å; D256-A259 PolarHBondContact O-N 3.49Å; A259-T263 WeakPolarHBondContact O-CB 3.38Å; A259-T263 PolarHBondContact O-N 2.78Å; A259-T263 VanDerWaalsContact O-N 3.11Å; A259-T263 PolarHBondContact O-OG1 3.36Å; A259-T381 HydrophobicContact CB-CG2 3.93Å; A259-R488 VanDerWaalsContact CB-CZ 3.46Å; A259-R488 VanDerWaalsContact CB-NH1 3.28Å
260N67.8Low76.1Confident47 Ų4750.7 Ų50.725%0.25125%0.245SC..Hα-helixtrans-70.4-41.6-176.7-65.2-19.3000110.1W258 D262 T263 E264 Q385W258-N260 PolarHBondContact O-N 2.94Å; N260-D262 PolarHBondContact O-N 3.32Å; N260-T263 PolarHBondContact O-N 2.98Å; N260-E264 WeakPolarHBondContact O-CB 3.33Å; N260-E264 WeakPolarHBondContact O-CG 3.3Å; N260-E264 PolarHBondContact O-N 3.21Å; N260-Q385 PolarHBondContact OD1-NE2 2.91Å
261K73.9Confident75.8Confident94 Ų9451.1 Ų51.141%0.40926%0.258SS..Hα-helixtrans-60.5-43.3176.4-73.6-179.4-178.5-1780112.5A257 W258 A265A257-K261 WeakPolarHBondContact O-CG 3.26Å; W258-K261 HydrophobicContact CE3-CD 4.22Å; W258-K261 HydrophobicContact CZ3-CD 4.39Å; W258-K261 PolarHBondContact O-N 3.24Å; K261-A265 VanDerWaalsContact O-CB 3.29Å; K261-A265 WeakPolarHBondContact O-CB 3.37Å; K261-A265 PolarHBondContact O-N 2.96Å
262D79.7Confident75.6Confident9 Ų951.8 Ų51.85%0.04826%0.259CS..Hα-helixtrans-69.3-42.6-179.2-64.7-17.9000111.2W258 N260 E264 A265 M266 L315 L377 K491W258-D262 WeakPolarHBondContact O-CB 3.31Å; W258-D262 PolarHBondContact O-N 3.15Å; N260-D262 PolarHBondContact O-N 3.32Å; D262-E264 PolarHBondContact O-N 2.83Å; D262-A265 PolarHBondContact O-N 3.48Å; D262-M266 WeakPolarHBondContact O-CG 3.42Å; D262-M266 PolarHBondContact O-N 3.41Å; D262-L315 HydrophobicContact CB-CD1 4.43Å; D262-L377 HydrophobicContact CB-CD2 3.86Å; D262-K491 IonicContact OD1-NZ 2.71Å; D262-K491 PolarHBondContact OD1-NZ 2.94Å; D262-K491 WeakPolarHBondContact OD2-CE 3.5Å; D262-K491 IonicContact OD2-NZ 2.67Å; D262-K491 PolarHBondContact OD2-NZ 3.27Å
263T79.1Confident75.9Confident13 Ų1349.5 Ų49.58%0.0824%0.243CC..Hα-helixtrans-62.4-44176.7-53.10000111.2A259 N260 M266 K267 E378A259-T263 WeakPolarHBondContact O-CB 3.38Å; A259-T263 PolarHBondContact O-N 2.78Å; A259-T263 VanDerWaalsContact O-N 3.11Å; A259-T263 PolarHBondContact O-OG1 3.36Å; N260-T263 PolarHBondContact O-N 2.98Å; T263-M266 PolarHBondContact O-N 2.73Å; T263-K267 WeakPolarHBondContact O-CG 3.39Å; T263-K267 PolarHBondContact O-N 3.47Å; T263-E378 HydrophobicContact CG2-CB 3.76Å; T263-E378 HydrophobicContact CG2-CG 4.04Å
264E78.6Confident76.6Confident90 Ų9051.5 Ų51.542%0.42126%0.259SS..Hα-helixtrans-63.4-41.4173.6-77.4-171.6-178.800112.4N260 D262 K267 R268 K669N260-E264 WeakPolarHBondContact O-CB 3.33Å; N260-E264 WeakPolarHBondContact O-CG 3.3Å; N260-E264 PolarHBondContact O-N 3.21Å; D262-E264 PolarHBondContact O-N 2.83Å; E264-K267 PolarHBondContact O-N 3.42Å; E264-R268 WeakPolarHBondContact O-CB 3.44Å; E264-R268 VanDerWaalsContact O-CG 3.31Å; E264-R268 WeakPolarHBondContact O-CG 3.32Å; E264-R268 PolarHBondContact O-N 2.89Å; E264-R268 PolarHBondContact O-NE 2.95Å; E264-K669 IonicContact OE2-NZ 3.78Å; E264-K669 PolarHBondContact OE2-NZ 3.04Å
265A81Confident77.4Confident30 Ų3054.3 Ų54.325%0.24828%0.28CS..Hα-helixtrans-62.4-44.7177.400000111.6K261 D262 R268 A269 L315K261-A265 VanDerWaalsContact O-CB 3.29Å; K261-A265 WeakPolarHBondContact O-CB 3.37Å; K261-A265 PolarHBondContact O-N 2.96Å; D262-A265 PolarHBondContact O-N 3.48Å; A265-R268 PolarHBondContact O-N 3.15Å; A265-A269 WeakPolarHBondContact O-CB 3.4Å; A265-A269 PolarHBondContact O-N 2.87Å; A265-L315 HydrophobicContact CB-CD1 3.97Å
266M86Confident78.5Confident3 Ų350.4 Ų50.42%0.01526%0.261CS..Hα-helixtrans-63.9-43.4177.1-69.7-173.7178.600112.5D262 T263 R268 A269 L270 V312 L315 A374 L377D262-M266 WeakPolarHBondContact O-CG 3.42Å; D262-M266 PolarHBondContact O-N 3.41Å; T263-M266 PolarHBondContact O-N 2.73Å; M266-R268 VanDerWaalsContact C-N 3.33Å; M266-R268 PolarHBondContact O-N 2.67Å; M266-A269 PolarHBondContact O-N 3.41Å; M266-L270 WeakPolarHBondContact O-CB 3.36Å; M266-L270 WeakPolarHBondContact O-CG 3.44Å; M266-L270 PolarHBondContact O-N 3.14Å; M266-V312 HydrophobicContact CB-CG2 4.38Å; M266-V312 HydrophobicContact CE-CG1 4.25Å; M266-V312 HydrophobicContact CG-CG1 3.97Å; M266-V312 HydrophobicContact CG-CG2 4.19Å; M266-V312 HydrophobicContact SD-CG1 4.18Å; M266-L315 HydrophobicContact CE-CB 3.37Å; M266-L315 HydrophobicContact CE-CD1 4.26Å; M266-L315 HydrophobicContact CE-CG 4.46Å; M266-L315 HydrophobicContact CG-CD1 3.86Å; M266-A374 HydrophobicContact CB-CB 3.85Å; M266-A374 HydrophobicContact SD-CB 4.2Å; M266-L377 HydrophobicContact CE-CD2 3.53Å; M266-L377 HydrophobicContact SD-CB 4.19Å; M266-L377 HydrophobicContact SD-CD2 3.67Å
267K82.3Confident79.9Confident99 Ų9949 Ų4943%0.4325%0.252SS..Hα-helixtrans-60.9-41.4175.4-76-179.2178.7-176.70112.3T263 E264 L270 G271 E378T263-K267 WeakPolarHBondContact O-CG 3.39Å; T263-K267 PolarHBondContact O-N 3.47Å; E264-K267 PolarHBondContact O-N 3.42Å; K267-L270 PolarHBondContact O-N 2.9Å; K267-G271 PolarHBondContact O-N 3.32Å; K267-E378 VanDerWaalsContact CE-OE1 3.27Å; K267-E378 WeakPolarHBondContact CE-OE1 3.32Å; K267-E378 WeakPolarHBondContact CE-OE2 3.34Å; K267-E378 IonicContact NZ-OE1 2.72Å; K267-E378 PolarHBondContact NZ-OE1 3.45Å; K267-E378 IonicContact NZ-OE2 3.8Å; K267-E378 PolarHBondContact NZ-OE2 3.04Å
268R81.3Confident81.1Confident129 Ų12951.8 Ų51.849%0.48728%0.276SS..Hα-helixtrans-64.9-46.2176.6-75.5-176.4-63.4-178.63.4112E264 A265 M266 L270 G271 L272E264-R268 WeakPolarHBondContact O-CB 3.44Å; E264-R268 VanDerWaalsContact O-CG 3.31Å; E264-R268 WeakPolarHBondContact O-CG 3.32Å; E264-R268 PolarHBondContact O-N 2.89Å; E264-R268 PolarHBondContact O-NE 2.95Å; A265-R268 PolarHBondContact O-N 3.15Å; M266-R268 VanDerWaalsContact C-N 3.33Å; M266-R268 PolarHBondContact O-N 2.67Å; R268-L270 VanDerWaalsContact C-N 3.3Å; R268-L270 PolarHBondContact O-N 3.47Å; R268-G271 PolarHBondContact O-N 3.38Å; R268-L272 PolarHBondContact O-N 2.96Å
269A82.9Confident82.2Confident2 Ų250.5 Ų50.52%0.01727%0.274CS..Hα-helixtrans-58.4-43.8176.400000111.1A265 M266 L272 I273 E308 V312A265-A269 WeakPolarHBondContact O-CB 3.4Å; A265-A269 PolarHBondContact O-N 2.87Å; M266-A269 PolarHBondContact O-N 3.41Å; A269-L272 PolarHBondContact O-N 3.48Å; A269-I273 WeakPolarHBondContact O-CG1 3.41Å; A269-I273 PolarHBondContact O-N 3.37Å; A269-E308 HydrophobicContact CB-CB 4.15Å; A269-V312 HydrophobicContact CB-CG2 3.49Å; A269-V312 VanDerWaalsContact CB-CG2 3.49Å
270L86.8Confident83.4Confident29 Ų2950.5 Ų50.515%0.15227%0.274CS..Hα-helixtrans-60-49.6174.5-80.8168.6000113M266 K267 R268 L272 I273 D274 V370 A374M266-L270 WeakPolarHBondContact O-CB 3.36Å; M266-L270 WeakPolarHBondContact O-CG 3.44Å; M266-L270 PolarHBondContact O-N 3.14Å; K267-L270 PolarHBondContact O-N 2.9Å; R268-L270 VanDerWaalsContact C-N 3.3Å; R268-L270 PolarHBondContact O-N 3.47Å; L270-L272 PolarHBondContact O-N 3.48Å; L270-I273 PolarHBondContact O-N 2.92Å; L270-I273 VanDerWaalsContact O-N 3.16Å; L270-D274 PolarHBondContact O-N 2.75Å; L270-V370 HydrophobicContact CD2-CB 4.16Å; L270-V370 HydrophobicContact CD2-CG1 3.53Å; L270-V370 HydrophobicContact CG-CG1 3.88Å; L270-A374 HydrophobicContact CD1-CB 3.35Å
271G81.4Confident84.6Confident41 Ų4150.7 Ų50.742%0.42327%0.272SS..Hα-helixtrans-58.3-37177.400000112.6K267 R268 S275K267-G271 PolarHBondContact O-N 3.32Å; R268-G271 PolarHBondContact O-N 3.38Å; G271-S275 WeakPolarHBondContact O-CB 3.49Å; G271-S275 PolarHBondContact O-N 3.07Å
272L80.1Confident85.4Confident61 Ų6150 Ų5032%0.31928%0.279SS..Hα-helixtrans-69.9-44.8176.1-159.8150.7000111.6R268 A269 L270 D274 S275 K276 Q304 E308R268-L272 PolarHBondContact O-N 2.96Å; A269-L272 PolarHBondContact O-N 3.48Å; L270-L272 PolarHBondContact O-N 3.48Å; L272-D274 VanDerWaalsContact C-N 3.32Å; L272-D274 PolarHBondContact O-N 3.44Å; L272-S275 PolarHBondContact O-N 3.37Å; L272-S275 PolarHBondContact O-OG 3.36Å; L272-K276 HydrophobicContact CD2-CG 3.95Å; L272-K276 PolarHBondContact O-N 2.93Å; L272-Q304 HydrophobicContact CD2-CB 4.39Å; L272-E308 HydrophobicContact CB-CG 4.25Å; L272-E308 HydrophobicContact CD1-CG 4.39Å; L272-E308 HydrophobicContact CD2-CG 3.75Å; L272-E308 HydrophobicContact CG-CG 4.33Å
273I87.9Confident85.9Confident0 Ų049.9 Ų49.90%028%0.278CS..Hα-helixtrans-55.6-49.1175.3-70.9164.7000110.3A269 L270 S275 K276 M277 I305 E308 A309 A367 V370A269-I273 WeakPolarHBondContact O-CG1 3.41Å; A269-I273 PolarHBondContact O-N 3.37Å; L270-I273 PolarHBondContact O-N 2.92Å; L270-I273 VanDerWaalsContact O-N 3.16Å; I273-S275 PolarHBondContact O-N 3.27Å; I273-K276 PolarHBondContact O-N 3.45Å; I273-M277 HydrophobicContact CG2-CE 3.72Å; I273-M277 PolarHBondContact O-N 3.12Å; I273-I305 HydrophobicContact CG1-CG2 4.21Å; I273-I305 HydrophobicContact CG2-CG1 4.46Å; I273-I305 HydrophobicContact CG2-CG2 3.93Å; I273-E308 HydrophobicContact CD1-CB 4.04Å; I273-E308 HydrophobicContact CG1-CB 3.83Å; I273-A309 HydrophobicContact CD1-CB 4.21Å; I273-A367 HydrophobicContact CG2-CB 4.09Å; I273-V370 HydrophobicContact CD1-CG1 4.05Å
274D87.9Confident86.5Confident105 Ų10549.8 Ų49.856%0.56128%0.277SS*.Hα-helixtrans-61.5-44179.7-70.2-22.6000111.3L270 L272 K276 M277L270-D274 PolarHBondContact O-N 2.75Å; L272-D274 VanDerWaalsContact C-N 3.32Å; L272-D274 PolarHBondContact O-N 3.44Å; D274-K276 VanDerWaalsContact C-N 3.27Å; D274-K276 PolarHBondContact O-N 3.44Å; D274-M277 PolarHBondContact O-N 3.03Å
275S85.9Confident87.1Confident80 Ų8055.5 Ų55.556%0.55930%0.295SS*.Hα-helixtrans-63-31.317978.50000113.6G271 L272 I273G271-S275 WeakPolarHBondContact O-CB 3.49Å; G271-S275 PolarHBondContact O-N 3.07Å; L272-S275 PolarHBondContact O-N 3.37Å; L272-S275 PolarHBondContact O-OG 3.36Å; I273-S275 PolarHBondContact O-N 3.27Å
276K87.4Confident87.4Confident61 Ų6157.5 Ų57.527%0.26530%0.301SS..Hα-helixtrans-94.8-13.5-177-68.3-56.7-175-179.90113.8L272 I273 D274 A278 Q279 A280 A301 Q304 I305L272-K276 HydrophobicContact CD2-CG 3.95Å; L272-K276 PolarHBondContact O-N 2.93Å; I273-K276 PolarHBondContact O-N 3.45Å; D274-K276 VanDerWaalsContact C-N 3.27Å; D274-K276 PolarHBondContact O-N 3.44Å; K276-A278 PolarHBondContact O-N 2.87Å; K276-Q279 PolarHBondContact O-N 3.16Å; K276-A280 WeakPolarHBondContact O-CB 3.3Å; K276-A280 PolarHBondContact O-N 3.42Å; K276-A301 HydrophobicContact CB-CB 4.19Å; K276-A301 HydrophobicContact CD-CB 4.3Å; K276-Q304 VanDerWaalsContact CE-OE1 3.22Å; K276-I305 HydrophobicContact CB-CD1 4.13Å; K276-I305 HydrophobicContact CB-CG1 3.94Å
277M91.9Very high87.4Confident22 Ų2259 Ų5911%0.10831%0.312CS..Hα-helixtrans-57.3-44.6-174.2-167.961.970.800113I273 D274 Q279 A280 K281 I305 L363 A367I273-M277 HydrophobicContact CG2-CE 3.72Å; I273-M277 PolarHBondContact O-N 3.12Å; D274-M277 PolarHBondContact O-N 3.03Å; M277-Q279 PolarHBondContact O-N 3.35Å; M277-A280 PolarHBondContact O-N 2.96Å; M277-K281 HydrophobicContact CG-CD 4.31Å; M277-K281 WeakPolarHBondContact O-CB 3.09Å; M277-K281 WeakPolarHBondContact O-CG 2.89Å; M277-K281 PolarHBondContact O-N 3.11Å; M277-I305 HydrophobicContact CE-CD1 4.42Å; M277-I305 HydrophobicContact SD-CD1 4.24Å; M277-L363 HydrophobicContact SD-CB 4.09Å; M277-A367 HydrophobicContact CE-CB 3.83Å
278A90.2Very high87.4Confident77 Ų7760.7 Ų60.764%0.63633%0.325SS*.Hα-helixtrans-63.9-43.9-179.300000112.1K276 K281 S282K276-A278 PolarHBondContact O-N 2.87Å; A278-K281 PolarHBondContact O-N 3.26Å; A278-S282 PolarHBondContact O-N 3.45Å
279Q88.1Confident87.4Confident68 Ų6854.8 Ų54.832%0.31830%0.304SS..Hα-helixtrans-64.6-44.9178.8179.7167.549.600111.7K276 M277 S282 W283 A297 A301K276-Q279 PolarHBondContact O-N 3.16Å; M277-Q279 PolarHBondContact O-N 3.35Å; Q279-S282 PolarHBondContact O-N 3.06Å; Q279-W283 PolarHBondContact O-N 2.69Å; Q279-A297 VanDerWaalsContact CD-O 3.29Å; Q279-A301 HydrophobicContact CB-CB 4.01Å; Q279-A301 HydrophobicContact CG-CB 3.74Å
280A90.6Very high86.8Confident0 Ų058 Ų580%032%0.324CS..Hα-helixtrans-60.7-46.4175.900000112.2K276 M277 S282 W283 L284 A301 V302 I305 L363K276-A280 WeakPolarHBondContact O-CB 3.3Å; K276-A280 PolarHBondContact O-N 3.42Å; M277-A280 PolarHBondContact O-N 2.96Å; A280-S282 VanDerWaalsContact C-N 3.35Å; A280-S282 PolarHBondContact O-N 3.46Å; A280-W283 PolarHBondContact O-N 2.86Å; A280-L284 WeakPolarHBondContact O-CG 3.18Å; A280-L284 PolarHBondContact O-N 3.01Å; A280-L284 VanDerWaalsContact O-N 3.15Å; A280-A301 HydrophobicContact CB-CB 4.04Å; A280-V302 HydrophobicContact CB-CB 4.46Å; A280-V302 HydrophobicContact CB-CG2 3.67Å; A280-I305 HydrophobicContact CB-CD1 3.56Å; A280-L363 HydrophobicContact CB-CD1 4.24Å
281K93.3Very high85.8Confident52 Ų5258.6 Ų58.623%0.22633%0.33CS..Hα-helixtrans-66.3-34.6178.7-73.9-173.8177.8-173.50113.1M277 A278 W283 L284 R285 D364M277-K281 HydrophobicContact CG-CD 4.31Å; M277-K281 WeakPolarHBondContact O-CB 3.09Å; M277-K281 WeakPolarHBondContact O-CG 2.89Å; M277-K281 PolarHBondContact O-N 3.11Å; A278-K281 PolarHBondContact O-N 3.26Å; K281-W283 VanDerWaalsContact C-N 3.33Å; K281-W283 PolarHBondContact O-N 3.18Å; K281-L284 PolarHBondContact O-N 3.5Å; K281-R285 WeakPolarHBondContact O-CB 3.49Å; K281-R285 PolarHBondContact O-N 2.86Å; K281-D364 WeakPolarHBondContact CE-OD1 3.22Å; K281-D364 IonicContact NZ-OD1 3.3Å; K281-D364 PolarHBondContact NZ-OD1 3.35Å; K281-D364 IonicContact NZ-OD2 3.91Å; K281-D364 PolarHBondContact NZ-OD2 2.62Å
282S90.9Very high84.5Confident79 Ų7957.7 Ų57.755%0.55232%0.321SS*.Hα-helixtrans-59-46.4174.7-168.10000111.1A278 Q279 A280 L284 R285 D286A278-S282 PolarHBondContact O-N 3.45Å; Q279-S282 PolarHBondContact O-N 3.06Å; A280-S282 VanDerWaalsContact C-N 3.35Å; A280-S282 PolarHBondContact O-N 3.46Å; S282-L284 PolarHBondContact O-N 2.79Å; S282-R285 PolarHBondContact O-N 3.27Å; S282-D286 PolarHBondContact O-N 3.42Å; S282-D286 VanDerWaalsContact O-N 3.13Å
283W90.6Very high82.8Confident7 Ų758.1 Ų58.13%0.02733%0.327CS..Hα-helixtrans-65.7-36.8178.6-178.186.6000113.7Q279 A280 K281 R285 A289 E299 V302 T335 V338 R342Q279-W283 PolarHBondContact O-N 2.69Å; A280-W283 PolarHBondContact O-N 2.86Å; K281-W283 VanDerWaalsContact C-N 3.33Å; K281-W283 PolarHBondContact O-N 3.18Å; W283-R285 VanDerWaalsContact C-N 3.31Å; W283-A289 HydrophobicContact CG-CB 4.26Å; W283-E299 HydrophobicContact CD2-CB 4.23Å; W283-E299 HydrophobicContact CH2-CB 4.34Å; W283-E299 HydrophobicContact CH2-CG 3.98Å; W283-E299 HydrophobicContact CZ2-CB 3.72Å; W283-E299 HydrophobicContact CZ2-CG 3.73Å; W283-V302 HydrophobicContact CE3-CG2 4.06Å; W283-V302 HydrophobicContact CZ3-CG2 4.45Å; W283-T335 HydrophobicContact CH2-CG2 4.38Å; W283-T335 HydrophobicContact CZ3-CG2 4.25Å; W283-V338 HydrophobicContact CH2-CG1 4.15Å; W283-V338 HydrophobicContact CZ3-CG1 4.33Å; W283-R342 VanDerWaalsContact O-CZ 3.31Å; W283-R342 PolarHBondContact O-NH1 2.93Å; W283-R342 PolarHBondContact O-NH2 2.78Å
284L90.6Very high80.7Confident11 Ų1164.3 Ų64.36%0.05837%0.366CS..Hα-helixtrans-68.9-32.1175.9-68168.1000112A280 K281 S282 V302 R342 A356 V359 L363A280-L284 WeakPolarHBondContact O-CG 3.18Å; A280-L284 PolarHBondContact O-N 3.01Å; A280-L284 VanDerWaalsContact O-N 3.15Å; K281-L284 PolarHBondContact O-N 3.5Å; S282-L284 PolarHBondContact O-N 2.79Å; L284-V302 HydrophobicContact CD1-CG2 4.36Å; L284-V302 HydrophobicContact CG-CG2 4.36Å; L284-R342 PolarHBondContact O-NH2 2.82Å; L284-A356 HydrophobicContact CD2-CB 4.26Å; L284-A356 WeakPolarHBondContact O-CB 3.44Å; L284-V359 HydrophobicContact CD1-CB 4.23Å; L284-V359 HydrophobicContact CD1-CG1 3.8Å; L284-V359 HydrophobicContact CD2-CB 3.97Å; L284-V359 HydrophobicContact CD2-CG1 3.85Å; L284-L363 HydrophobicContact CD1-CD1 3.89Å
285R91.4Very high78.9Confident209 Ų20959.8 Ų59.879%0.78934%0.343SS*.Hα-helixtrans-74.7-32.8179.3-169.7-179.7-661650.1112.9K281 S282 W283 P287K281-R285 WeakPolarHBondContact O-CB 3.49Å; K281-R285 PolarHBondContact O-N 2.86Å; S282-R285 PolarHBondContact O-N 3.27Å; W283-R285 VanDerWaalsContact C-N 3.31Å; R285-P287 VanDerWaalsContact O-CD 3.25Å; R285-P287 WeakPolarHBondContact O-CD 3.42Å
286D88.3Confident77.7Confident72 Ų7260.9 Ų60.939%0.38534%0.343SS..  trans-83.6111.1179.2-177.63.3000111.6S282 N288 A289 R342S282-D286 PolarHBondContact O-N 3.42Å; S282-D286 VanDerWaalsContact O-N 3.13Å; D286-N288 PolarHBondContact O-N 2.84Å; D286-N288 PolarHBondContact OD1-N 3.36Å; D286-A289 HydrophobicContact CB-CB 3.98Å; D286-A289 PolarHBondContact O-N 3.36Å; D286-A289 PolarHBondContact OD1-N 3.24Å; D286-R342 VanDerWaalsContact O-CZ 3.29Å; D286-R342 PolarHBondContact O-NH2 2.77Å
287P85.6Confident76.6Confident36 Ų3659.9 Ų59.923%0.23435%0.346CS..THydrogen-bonded Turntrans-69.5-19.1179.1-15.932.3000113.8R285 G347 A348 M353R285-P287 VanDerWaalsContact O-CD 3.25Å; R285-P287 WeakPolarHBondContact O-CD 3.42Å; P287-G347 CarbonylContact O-C 3.53Å; P287-G347 WeakPolarHBondContact O-CA 3.24Å; P287-A348 HydrophobicContact CB-CB 4.19Å; P287-M353 HydrophobicContact CG-CG 4.49Å; P287-M353 HydrophobicContact CG-SD 4.3Å
288N83.1Confident76Confident134 Ų13459 Ų5972%0.71734%0.343SS*.THydrogen-bonded Turntrans-99.91.2-178.2-62.5-44.5000112.8D286D286-N288 PolarHBondContact O-N 2.84Å; D286-N288 PolarHBondContact OD1-N 3.36Å
289A80.3Confident75.7Confident4 Ų455.8 Ų55.83%0.03332%0.315CS..PPolyproline II helixtrans-59.7128.2179.300000110.2W283 D286W283-A289 HydrophobicContact CG-CB 4.26Å; D286-A289 HydrophobicContact CB-CB 3.98Å; D286-A289 PolarHBondContact O-N 3.36Å; D286-A289 PolarHBondContact OD1-N 3.24Å
290P70.2Confident75.2Confident69 Ų6957 Ų5745%0.44832%0.321SS..PPolyproline II helixtrans-64.9131.6-172.323.3-31.8000110.8D296P290-D296 HydrophobicContact CG-CB 4.27Å
291P65.6Low74.9Confident42 Ų4257 Ų5727%0.27332%0.321SS..PPolyproline II helixtrans-83.7150.717432.4-31.8000111.3S339 R342 A343P291-S339 WeakPolarHBondContact CB-O 3.48Å; P291-R342 HydrophobicContact CB-CB 4.01Å; P291-R342 HydrophobicContact CG-CB 3.81Å; P291-A343 HydrophobicContact CB-CB 4.34Å; P291-A343 HydrophobicContact CG-CB 3.77Å
292G55.1Low74.7Confident23 Ų2354.6 Ų54.624%0.23731%0.31CS..SBendtrans130.1179.7160.600000116.3T294 G295 E299G292-T294 VanDerWaalsContact C-N 3.3Å; G292-T294 PolarHBondContact O-N 3.39Å; G292-G295 WeakPolarHBondContact O-CA 3.36Å; G292-G295 PolarHBondContact O-N 3.49Å; G292-E299 PolarHBondContact N-OE2 3.02Å
293P43.3Very low74.5Confident69 Ų6952.8 Ų52.845%0.44829%0.291SS..THydrogen-bonded Turntrans-72.1-18.6-173.226.8-32.6000114.3
294T44.7Very low74.1Confident131 Ų13155.8 Ų55.880%0.80431%0.306SS*.THydrogen-bonded Turntrans-98.39.3165.353.80000112.1G292G292-T294 VanDerWaalsContact C-N 3.3Å; G292-T294 PolarHBondContact O-N 3.39Å
295G48.9Very low74.1Confident9 Ų955.3 Ų55.39%0.09330%0.303CS..  trans-67.9148.8-173.700000112.2G292G292-G295 WeakPolarHBondContact O-CA 3.36Å; G292-G295 PolarHBondContact O-N 3.49Å
296D61.5Low74Confident103 Ų10346.1 Ų46.155%0.55127%0.269SS*.  trans-45.2152.2-174.9-155.3-0.8000112.6P290 G298 E299P290-D296 HydrophobicContact CG-CB 4.27Å; D296-G298 PolarHBondContact O-N 3.12Å; D296-E299 PolarHBondContact O-N 2.95Å; D296-E299 VanDerWaalsContact O-N 3.14Å
297A65Low73.8Confident40 Ų4045.7 Ų45.733%0.33127%0.267SS..Hα-helixtrans-55.9-10.4-17100000114.4Q279 A301Q279-A297 VanDerWaalsContact CD-O 3.29Å; A297-A301 WeakPolarHBondContact O-CB 3.49Å; A297-A301 PolarHBondContact O-N 2.95Å; A297-A301 VanDerWaalsContact O-N 3.13Å
298G79.2Confident73.8Confident5 Ų545.4 Ų45.45%0.05226%0.263CS..Hα-helixtrans-65.8-50.8170.700000118D296 Q300 A301 V302D296-G298 PolarHBondContact O-N 3.12Å; G298-Q300 VanDerWaalsContact C-N 3.32Å; G298-Q300 PolarHBondContact O-N 3.2Å; G298-A301 WeakPolarHBondContact O-CB 3.47Å; G298-A301 PolarHBondContact O-N 3.37Å; G298-V302 PolarHBondContact O-N 2.91Å; G298-V302 VanDerWaalsContact O-N 3.17Å
299E83Confident74.1Confident9 Ų939 Ų394%0.04223%0.229CC..Hα-helixtrans-65.3-42.3179.6-170.9-169.7145.400109.7W283 G292 D296 A301 V302 R303W283-E299 HydrophobicContact CD2-CB 4.23Å; W283-E299 HydrophobicContact CH2-CB 4.34Å; W283-E299 HydrophobicContact CH2-CG 3.98Å; W283-E299 HydrophobicContact CZ2-CB 3.72Å; W283-E299 HydrophobicContact CZ2-CG 3.73Å; G292-E299 PolarHBondContact N-OE2 3.02Å; D296-E299 PolarHBondContact O-N 2.95Å; D296-E299 VanDerWaalsContact O-N 3.14Å; E299-A301 VanDerWaalsContact C-N 3.27Å; E299-A301 PolarHBondContact O-N 2.83Å; E299-V302 WeakPolarHBondContact O-CB 3.28Å; E299-V302 PolarHBondContact O-N 3.14Å; E299-V302 VanDerWaalsContact O-N 3.14Å; E299-R303 PolarHBondContact O-N 2.96Å; E299-R303 IonicContact OE1-CZ 2.73Å; E299-R303 VanDerWaalsContact OE1-CZ 3.31Å; E299-R303 IonicContact OE1-NE 2.73Å; E299-R303 PolarHBondContact OE1-NE 3.02Å; E299-R303 IonicContact OE1-NH2 2.89Å; E299-R303 PolarHBondContact OE1-NH2 3Å
300Q78.3Confident74.4Confident93 Ų9339.5 Ų39.544%0.43523%0.234SC..Hα-helixtrans-60.6-37.5175.4-67-171-2.600111.8G298 R303 Q304G298-Q300 VanDerWaalsContact C-N 3.32Å; G298-Q300 PolarHBondContact O-N 3.2Å; Q300-R303 PolarHBondContact O-N 3.45Å; Q300-Q304 WeakPolarHBondContact O-CB 3.26Å; Q300-Q304 VanDerWaalsContact O-CG 3.27Å; Q300-Q304 WeakPolarHBondContact O-CG 3.29Å; Q300-Q304 PolarHBondContact O-N 3.37Å
301A84.4Confident75.1Confident1 Ų140.2 Ų40.21%0.00823%0.23CC..Hα-helixtrans-62.5-41.4174.400000112.2K276 Q279 A280 A297 G298 E299 Q304 I305K276-A301 HydrophobicContact CB-CB 4.19Å; K276-A301 HydrophobicContact CD-CB 4.3Å; Q279-A301 HydrophobicContact CB-CB 4.01Å; Q279-A301 HydrophobicContact CG-CB 3.74Å; A280-A301 HydrophobicContact CB-CB 4.04Å; A297-A301 WeakPolarHBondContact O-CB 3.49Å; A297-A301 PolarHBondContact O-N 2.95Å; A297-A301 VanDerWaalsContact O-N 3.13Å; G298-A301 WeakPolarHBondContact O-CB 3.47Å; G298-A301 PolarHBondContact O-N 3.37Å; E299-A301 VanDerWaalsContact C-N 3.27Å; E299-A301 PolarHBondContact O-N 2.83Å; A301-Q304 PolarHBondContact O-N 2.99Å; A301-I305 VanDerWaalsContact O-CG1 3.28Å; A301-I305 WeakPolarHBondContact O-CG1 3.41Å; A301-I305 PolarHBondContact O-N 3.49Å
302V89.1Confident76.2Confident0 Ų038.3 Ų38.30%022%0.217CC..Hα-helixtrans-60-50174178.90000110.2A280 W283 L284 G298 E299 Q304 I305 L306 T335 V359 L363A280-V302 HydrophobicContact CB-CB 4.46Å; A280-V302 HydrophobicContact CB-CG2 3.67Å; W283-V302 HydrophobicContact CE3-CG2 4.06Å; W283-V302 HydrophobicContact CZ3-CG2 4.45Å; L284-V302 HydrophobicContact CD1-CG2 4.36Å; L284-V302 HydrophobicContact CG-CG2 4.36Å; G298-V302 PolarHBondContact O-N 2.91Å; G298-V302 VanDerWaalsContact O-N 3.17Å; E299-V302 WeakPolarHBondContact O-CB 3.28Å; E299-V302 PolarHBondContact O-N 3.14Å; E299-V302 VanDerWaalsContact O-N 3.14Å; V302-Q304 VanDerWaalsContact C-N 3.35Å; V302-Q304 PolarHBondContact O-N 2.82Å; V302-I305 PolarHBondContact O-N 3.41Å; V302-L306 HydrophobicContact CG1-CD1 4.23Å; V302-L306 WeakPolarHBondContact O-CG 3.47Å; V302-L306 PolarHBondContact O-N 2.87Å; V302-L306 VanDerWaalsContact O-N 3.1Å; V302-T335 HydrophobicContact CB-CG2 4.48Å; V302-T335 HydrophobicContact CG1-CG2 3.88Å; V302-V359 HydrophobicContact CG1-CG1 4.36Å; V302-L363 HydrophobicContact CG1-CD1 4.43Å
303R86.1Confident77.8Confident41 Ų4137.2 Ų37.216%0.15521%0.206CC..Hα-helixtrans-62.8-40.1-179.2-65.4-172.7-174.3-89.4-3.4112.2E299 Q300 I305 L306 D307 D336 R541E299-R303 PolarHBondContact O-N 2.96Å; E299-R303 IonicContact OE1-CZ 2.73Å; E299-R303 VanDerWaalsContact OE1-CZ 3.31Å; E299-R303 IonicContact OE1-NE 2.73Å; E299-R303 PolarHBondContact OE1-NE 3.02Å; E299-R303 IonicContact OE1-NH2 2.89Å; E299-R303 PolarHBondContact OE1-NH2 3Å; Q300-R303 PolarHBondContact O-N 3.45Å; R303-I305 PolarHBondContact O-N 2.79Å; R303-L306 PolarHBondContact O-N 3.16Å; R303-D307 PolarHBondContact O-N 3.48Å; R303-D336 IonicContact CZ-OD1 3.28Å; R303-D336 VanDerWaalsContact CZ-OD1 3.28Å; R303-D336 IonicContact NH1-OD1 2.65Å; R303-D336 PolarHBondContact NH1-OD1 2.93Å; R303-D336 IonicContact NH2-OD1 2.67Å; R303-D336 PolarHBondContact NH2-OD1 2.93Å; R303-R541 VanDerWaalsContact CZ-NH2 3.31Å
304Q82.6Confident79.8Confident71 Ų7136.4 Ų36.433%0.33220%0.196SC..Hα-helixtrans-60.9-43.4174.5-76.9174.67.900112.2L272 K276 Q300 A301 V302 L306 D307 E308L272-Q304 HydrophobicContact CD2-CB 4.39Å; K276-Q304 VanDerWaalsContact CE-OE1 3.22Å; Q300-Q304 WeakPolarHBondContact O-CB 3.26Å; Q300-Q304 VanDerWaalsContact O-CG 3.27Å; Q300-Q304 WeakPolarHBondContact O-CG 3.29Å; Q300-Q304 PolarHBondContact O-N 3.37Å; A301-Q304 PolarHBondContact O-N 2.99Å; V302-Q304 VanDerWaalsContact C-N 3.35Å; V302-Q304 PolarHBondContact O-N 2.82Å; Q304-L306 VanDerWaalsContact C-N 3.33Å; Q304-L306 PolarHBondContact O-N 3.49Å; Q304-D307 PolarHBondContact O-N 2.87Å; Q304-E308 WeakPolarHBondContact O-CG 3.18Å; Q304-E308 PolarHBondContact O-N 3Å
305I89.8Confident81.7Confident1 Ų131.9 Ų31.91%0.00517%0.167CC..Hα-helixtrans-60.1-44.9176.3-69.4163.4000110.8I273 K276 M277 A280 A301 V302 R303 E308 A309 L363I273-I305 HydrophobicContact CG1-CG2 4.21Å; I273-I305 HydrophobicContact CG2-CG1 4.46Å; I273-I305 HydrophobicContact CG2-CG2 3.93Å; K276-I305 HydrophobicContact CB-CD1 4.13Å; K276-I305 HydrophobicContact CB-CG1 3.94Å; M277-I305 HydrophobicContact CE-CD1 4.42Å; M277-I305 HydrophobicContact SD-CD1 4.24Å; A280-I305 HydrophobicContact CB-CD1 3.56Å; A301-I305 VanDerWaalsContact O-CG1 3.28Å; A301-I305 WeakPolarHBondContact O-CG1 3.41Å; A301-I305 PolarHBondContact O-N 3.49Å; V302-I305 PolarHBondContact O-N 3.41Å; R303-I305 PolarHBondContact O-N 2.79Å; I305-E308 PolarHBondContact O-N 2.95Å; I305-A309 VanDerWaalsContact O-CB 3.27Å; I305-A309 WeakPolarHBondContact O-CB 3.29Å; I305-A309 PolarHBondContact O-N 3.16Å; I305-L363 HydrophobicContact CB-CD2 4.47Å; I305-L363 HydrophobicContact CG2-CD2 3.84Å
306L90.1Very high83.6Confident15 Ų1531.5 Ų31.58%0.07916%0.163CC..Hα-helixtrans-64.5-41.1179.2-63.2175.9000111.9V302 R303 Q304 G310 L331 L363 L366V302-L306 HydrophobicContact CG1-CD1 4.23Å; V302-L306 WeakPolarHBondContact O-CG 3.47Å; V302-L306 PolarHBondContact O-N 2.87Å; V302-L306 VanDerWaalsContact O-N 3.1Å; R303-L306 PolarHBondContact O-N 3.16Å; Q304-L306 VanDerWaalsContact C-N 3.33Å; Q304-L306 PolarHBondContact O-N 3.49Å; L306-G310 PolarHBondContact O-N 3.31Å; L306-L331 HydrophobicContact CD2-CB 3.68Å; L306-L331 HydrophobicContact CD2-CD1 4.17Å; L306-L363 HydrophobicContact CD2-CD2 3.95Å; L306-L363 HydrophobicContact CG-CD2 4.5Å; L306-L366 HydrophobicContact CD2-CD2 3.69Å
307D83.6Confident84.6Confident63 Ų6327.4 Ų27.434%0.33714%0.144SC..Hα-helixtrans-65-46.5177.6-74.5-10.7000111.3R303 Q304 G310 K311 N534R303-D307 PolarHBondContact O-N 3.48Å; Q304-D307 PolarHBondContact O-N 2.87Å; D307-G310 PolarHBondContact O-N 3.42Å; D307-K311 WeakPolarHBondContact O-CG 3.43Å; D307-K311 PolarHBondContact O-N 2.92Å; D307-N534 PolarHBondContact OD2-ND2 3.33Å
308E84.9Confident85.5Confident30 Ų3027.6 Ų27.614%0.1415%0.15CC..Hα-helixtrans-65.1-40.3177.2-68.7-49.1136.600112.3A269 L272 I273 Q304 I305 G310 K311 V312A269-E308 HydrophobicContact CB-CB 4.15Å; L272-E308 HydrophobicContact CB-CG 4.25Å; L272-E308 HydrophobicContact CD1-CG 4.39Å; L272-E308 HydrophobicContact CD2-CG 3.75Å; L272-E308 HydrophobicContact CG-CG 4.33Å; I273-E308 HydrophobicContact CD1-CB 4.04Å; I273-E308 HydrophobicContact CG1-CB 3.83Å; Q304-E308 WeakPolarHBondContact O-CG 3.18Å; Q304-E308 PolarHBondContact O-N 3Å; I305-E308 PolarHBondContact O-N 2.95Å; E308-G310 VanDerWaalsContact C-N 3.29Å; E308-G310 PolarHBondContact O-N 2.81Å; E308-K311 WeakPolarHBondContact O-CB 3.39Å; E308-K311 PolarHBondContact O-N 3.39Å; E308-K311 IonicContact OE1-NZ 2.8Å; E308-K311 PolarHBondContact OE1-NZ 2.85Å; E308-K311 WeakPolarHBondContact OE2-CD 3.29Å; E308-K311 IonicContact OE2-NZ 3.9Å; E308-K311 PolarHBondContact OE2-NZ 3.47Å; E308-V312 PolarHBondContact O-N 3.38Å; E308-V312 VanDerWaalsContact O-N 3.12Å
309A90.2Very high85.7Confident0 Ų033.6 Ų33.60%017%0.174CC..Hα-helixtrans-63.6-38.1173.900000111.7I273 I305 V312 G313 I324 L366 V370I273-A309 HydrophobicContact CD1-CB 4.21Å; I305-A309 VanDerWaalsContact O-CB 3.27Å; I305-A309 WeakPolarHBondContact O-CB 3.29Å; I305-A309 PolarHBondContact O-N 3.16Å; A309-V312 PolarHBondContact O-N 2.98Å; A309-G313 PolarHBondContact O-N 3.47Å; A309-I324 VanDerWaalsContact O-CG2 3.29Å; A309-I324 WeakPolarHBondContact O-CG2 3.36Å; A309-L366 HydrophobicContact CB-CD1 3.92Å; A309-L366 HydrophobicContact CB-CD2 3.54Å; A309-L366 HydrophobicContact CB-CG 3.66Å; A309-V370 HydrophobicContact CB-CG2 3.75Å
310G87.7Confident85.9Confident14 Ų1435.2 Ų35.214%0.14418%0.182CC..Hα-helixtrans-59.2-45.4172.600000112.4L306 D307 E308 V312 G313 E314 L325L306-G310 PolarHBondContact O-N 3.31Å; D307-G310 PolarHBondContact O-N 3.42Å; E308-G310 VanDerWaalsContact C-N 3.29Å; E308-G310 PolarHBondContact O-N 2.81Å; G310-V312 VanDerWaalsContact C-N 3.32Å; G310-V312 PolarHBondContact O-N 3.11Å; G310-G313 PolarHBondContact O-N 2.95Å; G310-G313 VanDerWaalsContact O-N 3.16Å; G310-E314 WeakPolarHBondContact O-CG 3.32Å; G310-E314 PolarHBondContact O-N 3.3Å; G310-L325 WeakPolarHBondContact O-CD2 3.33Å
311K84.1Confident86.3Confident85 Ų8532 Ų3237%0.3717%0.166SC..Hα-helixtrans-59.4-40.9175.6-68.6173.7-170168.90112.3D307 E308 E314 L315D307-K311 WeakPolarHBondContact O-CG 3.43Å; D307-K311 PolarHBondContact O-N 2.92Å; E308-K311 WeakPolarHBondContact O-CB 3.39Å; E308-K311 PolarHBondContact O-N 3.39Å; E308-K311 IonicContact OE1-NZ 2.8Å; E308-K311 PolarHBondContact OE1-NZ 2.85Å; E308-K311 WeakPolarHBondContact OE2-CD 3.29Å; E308-K311 IonicContact OE2-NZ 3.9Å; E308-K311 PolarHBondContact OE2-NZ 3.47Å; K311-E314 PolarHBondContact O-N 3.26Å; K311-L315 PolarHBondContact O-N 3.46Å
312V88.1Confident86.4Confident1 Ų140.4 Ų40.41%0.00620%0.197CC..Hα-helixtrans-66.4-43.4175175.60000111.2M266 A269 E308 A309 G310 E314 L315 C316 V370 A373M266-V312 HydrophobicContact CB-CG2 4.38Å; M266-V312 HydrophobicContact CE-CG1 4.25Å; M266-V312 HydrophobicContact CG-CG1 3.97Å; M266-V312 HydrophobicContact CG-CG2 4.19Å; M266-V312 HydrophobicContact SD-CG1 4.18Å; A269-V312 HydrophobicContact CB-CG2 3.49Å; A269-V312 VanDerWaalsContact CB-CG2 3.49Å; E308-V312 PolarHBondContact O-N 3.38Å; E308-V312 VanDerWaalsContact O-N 3.12Å; A309-V312 PolarHBondContact O-N 2.98Å; G310-V312 VanDerWaalsContact C-N 3.32Å; G310-V312 PolarHBondContact O-N 3.11Å; V312-E314 PolarHBondContact O-N 3.48Å; V312-L315 WeakPolarHBondContact O-CB 3.38Å; V312-L315 PolarHBondContact O-N 2.71Å; V312-C316 PolarHBondContact O-N 3.46Å; V312-C316 PolarHBondContact O-SG 3.17Å; V312-V370 HydrophobicContact CB-CG1 3.84Å; V312-V370 HydrophobicContact CB-CG2 4.49Å; V312-V370 HydrophobicContact CG1-CB 4.48Å; V312-V370 HydrophobicContact CG1-CG1 3.78Å; V312-V370 HydrophobicContact CG2-CG1 3.74Å; V312-A373 HydrophobicContact CG1-CB 4.39Å
313G88.3Confident86.5Confident0 Ų043.8 Ų43.80%022%0.215CC..Hα-helixtrans-57.7-36.6175.600000113.1A309 G310 L315 C316 R321A309-G313 PolarHBondContact O-N 3.47Å; G310-G313 PolarHBondContact O-N 2.95Å; G310-G313 VanDerWaalsContact O-N 3.16Å; G313-L315 VanDerWaalsContact C-N 3.26Å; G313-L315 PolarHBondContact O-N 3.27Å; G313-C316 WeakPolarHBondContact O-CB 3.38Å; G313-C316 PolarHBondContact O-N 2.91Å; G313-C316 VanDerWaalsContact O-N 3.17Å; G313-R321 WeakPolarHBondContact O-CB 3.25Å; G313-R321 VanDerWaalsContact O-CG 3.25Å; G313-R321 WeakPolarHBondContact O-CG 3.43Å
314E85.3Confident86.8Confident52 Ų5241.9 Ų41.924%0.24321%0.208CC..Hα-helixtrans-66.9-22.3175.1-76.3-65.8133.400114G310 K311 V312 R321 L325 P489 R523G310-E314 WeakPolarHBondContact O-CG 3.32Å; G310-E314 PolarHBondContact O-N 3.3Å; K311-E314 PolarHBondContact O-N 3.26Å; V312-E314 PolarHBondContact O-N 3.48Å; E314-R321 IonicContact OE1-CZ 2.71Å; E314-R321 IonicContact OE1-NE 2.73Å; E314-R321 IonicContact OE1-NH2 2.83Å; E314-R321 PolarHBondContact OE1-NH2 3.31Å; E314-R321 IonicContact OE2-CZ 3.57Å; E314-R321 IonicContact OE2-NH1 3.05Å; E314-R321 IonicContact OE2-NH2 3.27Å; E314-R321 PolarHBondContact OE2-NH2 3.15Å; E314-L325 HydrophobicContact CG-CD2 4.34Å; E314-L325 VanDerWaalsContact OE1-CD1 3.3Å; E314-L325 WeakPolarHBondContact OE1-CD1 3.44Å; E314-P489 VanDerWaalsContact O-CG 3.3Å; E314-P489 WeakPolarHBondContact O-CG 3.42Å; E314-R523 IonicContact OE1-NE 3.5Å
315L86.5Confident87.1Confident36 Ų3640.7 Ų40.719%0.18820%0.204CC..Hα-helixtrans-89-7174.2-62.7174.6000113.1D262 A265 M266 K311 V312 G313 P489D262-L315 HydrophobicContact CB-CD1 4.43Å; A265-L315 HydrophobicContact CB-CD1 3.97Å; M266-L315 HydrophobicContact CE-CB 3.37Å; M266-L315 HydrophobicContact CE-CD1 4.26Å; M266-L315 HydrophobicContact CE-CG 4.46Å; M266-L315 HydrophobicContact CG-CD1 3.86Å; K311-L315 PolarHBondContact O-N 3.46Å; V312-L315 WeakPolarHBondContact O-CB 3.38Å; V312-L315 PolarHBondContact O-N 2.71Å; G313-L315 VanDerWaalsContact C-N 3.26Å; G313-L315 PolarHBondContact O-N 3.27Å; L315-P489 WeakPolarHBondContact O-CD 3.36Å
316C87.4Confident87.1Confident2 Ų242.3 Ų42.31%0.01422%0.221CC..  trans-88.1157.6174.4-65.30000111.6V312 G313 E320 R321 A373 P489V312-C316 PolarHBondContact O-N 3.46Å; V312-C316 PolarHBondContact O-SG 3.17Å; G313-C316 WeakPolarHBondContact O-CB 3.38Å; G313-C316 PolarHBondContact O-N 2.91Å; G313-C316 VanDerWaalsContact O-N 3.17Å; C316-E320 HydrophobicContact CB-CB 4.33Å; C316-E320 HydrophobicContact CB-CG 4.18Å; C316-E320 PolarHBondContact SG-OE2 3.36Å; C316-E320 VanDerWaalsContact SG-OE2 3.38Å; C316-R321 HydrophobicContact CB-CB 3.88Å; C316-R321 WeakPolarHBondContact O-CB 3.43Å; C316-R321 WeakPolarHBondContact O-CD 3.43Å; C316-A373 VanDerWaalsContact SG-CB 3.59Å; C316-P489 WeakPolarHBondContact O-CG 3.33Å
317A83.8Confident87.3Confident17 Ų1742.9 Ų42.914%0.1423%0.225CC..  trans-104.2166.5171.200000112K319 R321 S487A317-K319 PolarHBondContact O-N 3.15Å; A317-R321 PolarHBondContact O-N 3.49Å; A317-S487 WeakPolarHBondContact CB-O 3.35Å
318G82.5Confident87.7Confident44 Ų4440.4 Ų40.445%0.45421%0.213SC..Hα-helixtrans59.2-127.6163.800000116R322G318-R322 PolarHBondContact O-NE 3.44Å
319K84.4Confident87.8Confident130 Ų13043.9 Ų43.957%0.56523%0.228SC*.Hα-helixtrans-76.6-41.3-175.4-176-176.9173.5-173.50111.8A317 R321 R322 D323A317-K319 PolarHBondContact O-N 3.15Å; K319-R321 VanDerWaalsContact C-N 3.27Å; K319-R321 PolarHBondContact O-N 3.14Å; K319-R322 PolarHBondContact O-N 2.95Å; K319-D323 WeakPolarHBondContact CE-OD2 3.43Å; K319-D323 PolarHBondContact O-N 3.14Å
320E86.8Confident87.9Confident43 Ų4347.3 Ų47.320%0.20125%0.249CC..Hα-helixtrans-55.3-44.2-179-174.6173.8-114.700111.6C316 D323 I324 A373C316-E320 HydrophobicContact CB-CB 4.33Å; C316-E320 HydrophobicContact CB-CG 4.18Å; C316-E320 PolarHBondContact SG-OE2 3.36Å; C316-E320 VanDerWaalsContact SG-OE2 3.38Å; E320-D323 PolarHBondContact O-N 3.27Å; E320-I324 HydrophobicContact CG-CD1 4.11Å; E320-I324 WeakPolarHBondContact O-CG1 3.42Å; E320-I324 PolarHBondContact O-N 3.17Å; E320-A373 HydrophobicContact CG-CB 4.21Å; E320-A373 WeakPolarHBondContact OE1-CA 3.47Å
321R87.4Confident88.2Confident27 Ų2747 Ų4710%0.10224%0.244CC..Hα-helixtrans-55.1-54.1172.4170.5167.6-179.21559.8112.9G313 E314 C316 A317 K319 D323 I324 L325 R523G313-R321 WeakPolarHBondContact O-CB 3.25Å; G313-R321 VanDerWaalsContact O-CG 3.25Å; G313-R321 WeakPolarHBondContact O-CG 3.43Å; E314-R321 IonicContact OE1-CZ 2.71Å; E314-R321 IonicContact OE1-NE 2.73Å; E314-R321 IonicContact OE1-NH2 2.83Å; E314-R321 PolarHBondContact OE1-NH2 3.31Å; E314-R321 IonicContact OE2-CZ 3.57Å; E314-R321 IonicContact OE2-NH1 3.05Å; E314-R321 IonicContact OE2-NH2 3.27Å; E314-R321 PolarHBondContact OE2-NH2 3.15Å; C316-R321 HydrophobicContact CB-CB 3.88Å; C316-R321 WeakPolarHBondContact O-CB 3.43Å; C316-R321 WeakPolarHBondContact O-CD 3.43Å; A317-R321 PolarHBondContact O-N 3.49Å; K319-R321 VanDerWaalsContact C-N 3.27Å; K319-R321 PolarHBondContact O-N 3.14Å; R321-D323 VanDerWaalsContact C-N 3.27Å; R321-D323 PolarHBondContact O-N 3.08Å; R321-I324 PolarHBondContact O-N 3.02Å; R321-L325 HydrophobicContact CG-CD1 3.65Å; R321-L325 HydrophobicContact CG-CG 4.35Å; R321-L325 WeakPolarHBondContact O-CB 3.33Å; R321-L325 VanDerWaalsContact O-CG 3.28Å; R321-L325 WeakPolarHBondContact O-CG 3.25Å; R321-L325 PolarHBondContact O-N 2.96Å; R321-R523 VanDerWaalsContact NH2-NH2 3.11Å
322R86.6Confident88.4Confident176 Ų17643.7 Ų43.766%0.66423%0.234SC*.Hα-helixtrans-61.3-38.7-177-73.1-175.7-72.1170.8-1.6111.3G318 K319 G326G318-R322 PolarHBondContact O-NE 3.44Å; K319-R322 PolarHBondContact O-N 2.95Å; R322-G326 PolarHBondContact O-N 3.15Å
323D91Very high88.3Confident71 Ų7148.5 Ų48.538%0.3826%0.256SS..Hα-helixtrans-69.1-42-179.4-72.2-9.4000112.2K319 E320 R321 T327K319-D323 WeakPolarHBondContact CE-OD2 3.43Å; K319-D323 PolarHBondContact O-N 3.14Å; E320-D323 PolarHBondContact O-N 3.27Å; R321-D323 VanDerWaalsContact C-N 3.27Å; R321-D323 PolarHBondContact O-N 3.08Å; D323-T327 WeakPolarHBondContact O-CB 3.48Å; D323-T327 PolarHBondContact O-N 3.18Å; D323-T327 VanDerWaalsContact O-N 3.12Å; D323-T327 PolarHBondContact O-OG1 3.33Å
324I92.4Very high88.5Confident2 Ų250 Ų501%0.0126%0.263CS..Hα-helixtrans-66.8-52.8177-67.7170.3000110.2A309 E320 R321 G326 T327 A328 L366 K369 V370 A373A309-I324 VanDerWaalsContact O-CG2 3.29Å; A309-I324 WeakPolarHBondContact O-CG2 3.36Å; E320-I324 HydrophobicContact CG-CD1 4.11Å; E320-I324 WeakPolarHBondContact O-CG1 3.42Å; E320-I324 PolarHBondContact O-N 3.17Å; R321-I324 PolarHBondContact O-N 3.02Å; I324-G326 PolarHBondContact O-N 2.98Å; I324-T327 PolarHBondContact O-N 3.4Å; I324-A328 PolarHBondContact O-N 3.44Å; I324-L366 HydrophobicContact CG2-CD1 4.1Å; I324-K369 HydrophobicContact CG1-CB 4.05Å; I324-V370 HydrophobicContact CG2-CG2 4.2Å; I324-A373 HydrophobicContact CD1-CB 4.03Å
325L88.8Confident88.7Confident45 Ų4547.5 Ų47.524%0.23625%0.252CS..Hα-helixtrans-62.9-41.4-177.9-64.8177.9000112G310 E314 R321 T327 A328 K329G310-L325 WeakPolarHBondContact O-CD2 3.33Å; E314-L325 HydrophobicContact CG-CD2 4.34Å; E314-L325 VanDerWaalsContact OE1-CD1 3.3Å; E314-L325 WeakPolarHBondContact OE1-CD1 3.44Å; R321-L325 HydrophobicContact CG-CD1 3.65Å; R321-L325 HydrophobicContact CG-CG 4.35Å; R321-L325 WeakPolarHBondContact O-CB 3.33Å; R321-L325 VanDerWaalsContact O-CG 3.28Å; R321-L325 WeakPolarHBondContact O-CG 3.25Å; R321-L325 PolarHBondContact O-N 2.96Å; L325-T327 PolarHBondContact O-N 3.06Å; L325-A328 PolarHBondContact O-N 3.14Å; L325-K329 WeakPolarHBondContact O-CB 3.36Å; L325-K329 PolarHBondContact O-N 2.84Å
326G90.1Very high88.6Confident35 Ų3549.2 Ų49.236%0.36126%0.261SS..Hα-helixtrans-63.9-39.2176.300000112.8R322 I324 T330R322-G326 PolarHBondContact O-N 3.15Å; I324-G326 PolarHBondContact O-N 2.98Å; G326-T330 WeakPolarHBondContact O-CB 3.49Å; G326-T330 PolarHBondContact O-N 3.47Å; G326-T330 PolarHBondContact O-OG1 3.44Å
327T94.1Very high88.7Confident27 Ų2752.5 Ų52.517%0.16628%0.277CS..Hα-helixtrans-65.7-47.7175.5-54.40000110.6D323 I324 L325 K329 T330 L331 L366 K369D323-T327 WeakPolarHBondContact O-CB 3.48Å; D323-T327 PolarHBondContact O-N 3.18Å; D323-T327 VanDerWaalsContact O-N 3.12Å; D323-T327 PolarHBondContact O-OG1 3.33Å; I324-T327 PolarHBondContact O-N 3.4Å; L325-T327 PolarHBondContact O-N 3.06Å; T327-K329 PolarHBondContact O-N 3.33Å; T327-T330 PolarHBondContact O-N 3.46Å; T327-L331 HydrophobicContact CG2-CD1 3.9Å; T327-L331 HydrophobicContact CG2-CG 4.44Å; T327-L331 VanDerWaalsContact O-CG 3.31Å; T327-L331 WeakPolarHBondContact O-CG 3.38Å; T327-L331 PolarHBondContact O-N 3.36Å; T327-L366 HydrophobicContact CG2-CB 4.19Å; T327-L366 HydrophobicContact CG2-CD1 4.07Å; T327-K369 PolarHBondContact OG1-NZ 3.03Å
328A91.4Very high88.9Confident11 Ų1151.7 Ų51.79%0.09127%0.27CS..Hα-helixtrans-60-43.7178.400000112.1I324 L325 L331 G332 L366I324-A328 PolarHBondContact O-N 3.44Å; L325-A328 PolarHBondContact O-N 3.14Å; A328-L331 PolarHBondContact O-N 2.93Å; A328-G332 PolarHBondContact O-N 3.1Å; A328-L366 HydrophobicContact CB-CD1 4.44Å; A328-L366 HydrophobicContact CB-CD2 4.19Å
329K87.3Confident89.1Confident103 Ų10350.1 Ų50.145%0.44825%0.252SS..Hα-helixtrans-60.8-46.2176.6-174.7170-176165.20112.1L325 T327 G332 Q333 E552L325-K329 WeakPolarHBondContact O-CB 3.36Å; L325-K329 PolarHBondContact O-N 2.84Å; T327-K329 PolarHBondContact O-N 3.33Å; K329-G332 PolarHBondContact O-N 3.3Å; K329-Q333 WeakPolarHBondContact O-CG 3.49Å; K329-Q333 PolarHBondContact O-N 3.48Å; K329-E552 IonicContact NZ-OE1 3.78Å; K329-E552 PolarHBondContact NZ-OE1 3.4Å
330T91.9Very high89.2Confident73 Ų7348.6 Ų48.645%0.44825%0.247SC..Hα-helixtrans-61.7-46.1178.7-55.30000111G326 T327 G332 Q333 M334G326-T330 WeakPolarHBondContact O-CB 3.49Å; G326-T330 PolarHBondContact O-N 3.47Å; G326-T330 PolarHBondContact O-OG1 3.44Å; T327-T330 PolarHBondContact O-N 3.46Å; T330-G332 VanDerWaalsContact C-N 3.35Å; T330-G332 PolarHBondContact O-N 3Å; T330-Q333 PolarHBondContact O-N 3.38Å; T330-M334 HydrophobicContact CG2-SD 4.12Å; T330-M334 VanDerWaalsContact O-CG 3.29Å; T330-M334 WeakPolarHBondContact O-CG 3.44Å; T330-M334 PolarHBondContact O-N 3.48Å
331L93.7Very high89.2Confident8 Ų848 Ų484%0.04224%0.244CC..Hα-helixtrans-66.9-35.5178.8-65.6171.8000112.6L306 T327 A328 M334 T335 G362 L363 L366L306-L331 HydrophobicContact CD2-CB 3.68Å; L306-L331 HydrophobicContact CD2-CD1 4.17Å; T327-L331 HydrophobicContact CG2-CD1 3.9Å; T327-L331 HydrophobicContact CG2-CG 4.44Å; T327-L331 VanDerWaalsContact O-CG 3.31Å; T327-L331 WeakPolarHBondContact O-CG 3.38Å; T327-L331 PolarHBondContact O-N 3.36Å; A328-L331 PolarHBondContact O-N 2.93Å; L331-M334 PolarHBondContact O-N 3.48Å; L331-T335 WeakPolarHBondContact O-CB 3.4Å; L331-T335 PolarHBondContact O-N 3.36Å; L331-T335 PolarHBondContact O-OG1 2.97Å; L331-G362 VanDerWaalsContact CD1-C 3.44Å; L331-G362 WeakPolarHBondContact CD1-O 3.11Å; L331-L363 HydrophobicContact CD1-CD2 4.48Å; L331-L366 HydrophobicContact CD1-CB 4.17Å; L331-L366 HydrophobicContact CD1-CD2 4.07Å
332G88Confident89.2Confident15 Ų1547.5 Ų47.516%0.15524%0.242CC..Hα-helixtrans-58.8-50.7172.400000111.8A328 K329 T330 M334 T335 D336A328-G332 PolarHBondContact O-N 3.1Å; K329-G332 PolarHBondContact O-N 3.3Å; T330-G332 VanDerWaalsContact C-N 3.35Å; T330-G332 PolarHBondContact O-N 3Å; G332-M334 VanDerWaalsContact C-N 3.33Å; G332-M334 PolarHBondContact O-N 2.86Å; G332-T335 WeakPolarHBondContact O-CB 3.42Å; G332-T335 PolarHBondContact O-N 2.97Å; G332-T335 VanDerWaalsContact O-N 3.08Å; G332-D336 PolarHBondContact O-N 3.07Å
333Q86.8Confident89Confident102 Ų10242.5 Ų42.548%0.47724%0.239SC..Hα-helixtrans-60.3-40.9177.2-70175.4-12.100112.5K329 T330 T335 D336 Q337K329-Q333 WeakPolarHBondContact O-CG 3.49Å; K329-Q333 PolarHBondContact O-N 3.48Å; T330-Q333 PolarHBondContact O-N 3.38Å; Q333-T335 VanDerWaalsContact C-N 3.32Å; Q333-D336 PolarHBondContact O-N 2.95Å; Q333-Q337 VanDerWaalsContact O-CG 3.28Å; Q333-Q337 WeakPolarHBondContact O-CG 3.31Å; Q333-Q337 PolarHBondContact O-N 2.78Å
334M92.1Very high88.8Confident30 Ų3046.9 Ų46.915%0.14825%0.25CS..Hα-helixtrans-66.2-36.1175.6-67.3175.675.400112T330 L331 G332 Q337 V338 Q358 V359T330-M334 HydrophobicContact CG2-SD 4.12Å; T330-M334 VanDerWaalsContact O-CG 3.29Å; T330-M334 WeakPolarHBondContact O-CG 3.44Å; T330-M334 PolarHBondContact O-N 3.48Å; L331-M334 PolarHBondContact O-N 3.48Å; G332-M334 VanDerWaalsContact C-N 3.33Å; G332-M334 PolarHBondContact O-N 2.86Å; M334-Q337 PolarHBondContact O-N 2.76Å; M334-V338 WeakPolarHBondContact O-CG2 3.26Å; M334-V338 PolarHBondContact O-N 3.26Å; M334-Q358 HydrophobicContact CE-CB 3.39Å; M334-Q358 HydrophobicContact CE-CG 4.23Å; M334-V359 HydrophobicContact CB-CG2 3.58Å
335T89.4Confident88.5Confident1 Ų150 Ų501%0.00628%0.283CS..Hα-helixtrans-65.9-40.7175.7-55.90000111.3W283 V302 L331 G332 Q333 Q337 V338 S339W283-T335 HydrophobicContact CH2-CG2 4.38Å; W283-T335 HydrophobicContact CZ3-CG2 4.25Å; V302-T335 HydrophobicContact CB-CG2 4.48Å; V302-T335 HydrophobicContact CG1-CG2 3.88Å; L331-T335 WeakPolarHBondContact O-CB 3.4Å; L331-T335 PolarHBondContact O-N 3.36Å; L331-T335 PolarHBondContact O-OG1 2.97Å; G332-T335 WeakPolarHBondContact O-CB 3.42Å; G332-T335 PolarHBondContact O-N 2.97Å; G332-T335 VanDerWaalsContact O-N 3.08Å; Q333-T335 VanDerWaalsContact C-N 3.32Å; T335-Q337 VanDerWaalsContact C-N 3.34Å; T335-V338 PolarHBondContact O-N 2.76Å; T335-S339 WeakPolarHBondContact O-CB 3.42Å; T335-S339 PolarHBondContact O-N 3.45Å; T335-S339 PolarHBondContact O-OG 3.15Å
336D85.4Confident88.5Confident71 Ų7152.5 Ų52.538%0.3829%0.293SS..Hα-helixtrans-63-42.3174.7-66.1-32.8000110.9R303 G332 Q333 V338 S339 E340R303-D336 IonicContact CZ-OD1 3.28Å; R303-D336 VanDerWaalsContact CZ-OD1 3.28Å; R303-D336 IonicContact NH1-OD1 2.65Å; R303-D336 PolarHBondContact NH1-OD1 2.93Å; R303-D336 IonicContact NH2-OD1 2.67Å; R303-D336 PolarHBondContact NH2-OD1 2.93Å; G332-D336 PolarHBondContact O-N 3.07Å; Q333-D336 PolarHBondContact O-N 2.95Å; D336-V338 PolarHBondContact O-N 3.47Å; D336-S339 PolarHBondContact O-N 3.5Å; D336-E340 WeakPolarHBondContact O-CB 3.29Å; D336-E340 PolarHBondContact O-N 3.35Å
337Q88.7Confident88.3Confident72 Ų7251.1 Ų51.134%0.33628%0.279SS..Hα-helixtrans-62-42.7175.1-68.8166.515.700112.4Q333 M334 T335 S339 E340 M341 K355Q333-Q337 VanDerWaalsContact O-CG 3.28Å; Q333-Q337 WeakPolarHBondContact O-CG 3.31Å; Q333-Q337 PolarHBondContact O-N 2.78Å; M334-Q337 PolarHBondContact O-N 2.76Å; T335-Q337 VanDerWaalsContact C-N 3.34Å; Q337-S339 VanDerWaalsContact C-N 3.35Å; Q337-E340 PolarHBondContact O-N 3Å; Q337-M341 WeakPolarHBondContact O-CB 3.47Å; Q337-M341 WeakPolarHBondContact O-CG 3.49Å; Q337-M341 PolarHBondContact O-N 3.37Å; Q337-K355 HydrophobicContact CB-CD 4.32Å
338V88.9Confident88.1Confident0 Ų052.8 Ų52.80%030%0.296CS..Hα-helixtrans-62.2-44.7175.4169.80000110.6W283 M334 T335 D336 M341 R342 K355 A356W283-V338 HydrophobicContact CH2-CG1 4.15Å; W283-V338 HydrophobicContact CZ3-CG1 4.33Å; M334-V338 WeakPolarHBondContact O-CG2 3.26Å; M334-V338 PolarHBondContact O-N 3.26Å; T335-V338 PolarHBondContact O-N 2.76Å; D336-V338 PolarHBondContact O-N 3.47Å; V338-M341 PolarHBondContact O-N 2.64Å; V338-R342 WeakPolarHBondContact O-CG 3.44Å; V338-R342 PolarHBondContact O-N 2.88Å; V338-K355 HydrophobicContact CG2-CB 3.66Å; V338-A356 HydrophobicContact CG1-CB 4.24Å; V338-A356 HydrophobicContact CG2-CB 4.25Å
339S85.9Confident88.1Confident11 Ų1153.7 Ų53.78%0.07730%0.302CS..Hα-helixtrans-64-42.7-179.7-54.30000111.5P291 T335 D336 Q337 R342 A343P291-S339 WeakPolarHBondContact CB-O 3.48Å; T335-S339 WeakPolarHBondContact O-CB 3.42Å; T335-S339 PolarHBondContact O-N 3.45Å; T335-S339 PolarHBondContact O-OG 3.15Å; D336-S339 PolarHBondContact O-N 3.5Å; Q337-S339 VanDerWaalsContact C-N 3.35Å; S339-R342 PolarHBondContact O-N 3.36Å; S339-A343 WeakPolarHBondContact O-CB 3.2Å; S339-A343 PolarHBondContact O-N 2.89Å
340E85.9Confident88.2Confident98 Ų9853.7 Ų53.746%0.45831%0.312SS..Hα-helixtrans-64.7-43.5176.1-176.2177-159.100111.9D336 Q337 R342 A343 R344D336-E340 WeakPolarHBondContact O-CB 3.29Å; D336-E340 PolarHBondContact O-N 3.35Å; Q337-E340 PolarHBondContact O-N 3Å; E340-R342 VanDerWaalsContact C-N 3.34Å; E340-R342 PolarHBondContact O-N 3.24Å; E340-A343 PolarHBondContact O-N 3.33Å; E340-R344 WeakPolarHBondContact O-CG 3.41Å; E340-R344 PolarHBondContact O-N 2.81Å; E340-R344 IonicContact OE1-CZ 2.65Å; E340-R344 VanDerWaalsContact OE1-CZ 3.3Å; E340-R344 IonicContact OE1-NE 2.77Å; E340-R344 IonicContact OE1-NH2 3.2Å; E340-R344 PolarHBondContact OE1-NH2 2.98Å
341M86.7Confident88.2Confident29 Ų2952.5 Ų52.514%0.14331%0.31CS..Hα-helixtrans-61.9-42175.4-70.6176.583.600111.2Q337 V338 A343 R344 G345 Q346 S349 A351 A352 K355Q337-M341 WeakPolarHBondContact O-CB 3.47Å; Q337-M341 WeakPolarHBondContact O-CG 3.49Å; Q337-M341 PolarHBondContact O-N 3.37Å; V338-M341 PolarHBondContact O-N 2.64Å; M341-A343 VanDerWaalsContact C-N 3.35Å; M341-R344 PolarHBondContact O-N 3.42Å; M341-G345 PolarHBondContact O-N 3.31Å; M341-Q346 HydrophobicContact CB-CB 4.39Å; M341-Q346 CarbonylContact O-C 3.31Å; M341-Q346 VanDerWaalsContact O-CA 3.29Å; M341-Q346 WeakPolarHBondContact O-CA 3.37Å; M341-Q346 VanDerWaalsContact O-CB 3.29Å; M341-Q346 WeakPolarHBondContact O-CB 3.13Å; M341-Q346 PolarHBondContact O-N 2.98Å; M341-S349 WeakPolarHBondContact CE-OG 3.45Å; M341-A351 HydrophobicContact CE-CB 3.83Å; M341-A352 HydrophobicContact CB-CB 4.16Å; M341-A352 HydrophobicContact CE-CB 3.77Å; M341-A352 HydrophobicContact SD-CB 4.06Å; M341-K355 HydrophobicContact SD-CD 4.35Å
342R87.5Confident88Confident17 Ų1752.2 Ų52.26%0.06431%0.308CS..Hα-helixtrans-62.5-40.6173.3-72.7174.3-177.2-168.4-2.4111.8W283 L284 D286 P291 V338 S339 E340 R344 G345W283-R342 VanDerWaalsContact O-CZ 3.31Å; W283-R342 PolarHBondContact O-NH1 2.93Å; W283-R342 PolarHBondContact O-NH2 2.78Å; L284-R342 PolarHBondContact O-NH2 2.82Å; D286-R342 VanDerWaalsContact O-CZ 3.29Å; D286-R342 PolarHBondContact O-NH2 2.77Å; P291-R342 HydrophobicContact CB-CB 4.01Å; P291-R342 HydrophobicContact CG-CB 3.81Å; V338-R342 WeakPolarHBondContact O-CG 3.44Å; V338-R342 PolarHBondContact O-N 2.88Å; S339-R342 PolarHBondContact O-N 3.36Å; E340-R342 VanDerWaalsContact C-N 3.34Å; E340-R342 PolarHBondContact O-N 3.24Å; R342-R344 PolarHBondContact O-N 3.22Å; R342-G345 WeakPolarHBondContact O-CA 3.43Å; R342-G345 PolarHBondContact O-N 2.9Å
343A83.9Confident88.1Confident72 Ų7255.9 Ų55.960%0.59532%0.322SS*.Hα-helixtrans-67-30.6-178.100000111.7P291 S339 E340 M341 G345P291-A343 HydrophobicContact CB-CB 4.34Å; P291-A343 HydrophobicContact CG-CB 3.77Å; S339-A343 WeakPolarHBondContact O-CB 3.2Å; S339-A343 PolarHBondContact O-N 2.89Å; E340-A343 PolarHBondContact O-N 3.33Å; M341-A343 VanDerWaalsContact C-N 3.35Å; A343-G345 PolarHBondContact O-N 3.32Å
344R86.5Confident88.5Confident163 Ų16356.9 Ų56.962%0.61533%0.327SS*.THydrogen-bonded Turntrans-80.26.1171.9-64.4173-177.4-1610.5113.5E340 M341 R342 Q346E340-R344 WeakPolarHBondContact O-CG 3.41Å; E340-R344 PolarHBondContact O-N 2.81Å; E340-R344 IonicContact OE1-CZ 2.65Å; E340-R344 VanDerWaalsContact OE1-CZ 3.3Å; E340-R344 IonicContact OE1-NE 2.77Å; E340-R344 IonicContact OE1-NH2 3.2Å; E340-R344 PolarHBondContact OE1-NH2 2.98Å; M341-R344 PolarHBondContact O-N 3.42Å; R342-R344 PolarHBondContact O-N 3.22Å; R344-Q346 VanDerWaalsContact C-N 3.28Å; R344-Q346 HydrophobicContact CB-CG 4.23Å; R344-Q346 PolarHBondContact O-N 3.42Å
345G85.8Confident88.6Confident68 Ų6858.4 Ų58.470%0.70133%0.333SS*.THydrogen-bonded Turntrans73.813.2-17700000114.6M341 R342 A343M341-G345 PolarHBondContact O-N 3.31Å; R342-G345 WeakPolarHBondContact O-CA 3.43Å; R342-G345 PolarHBondContact O-N 2.9Å; A343-G345 PolarHBondContact O-N 3.32Å
346Q89.4Confident88.7Confident96 Ų9658.5 Ų58.545%0.44933%0.334SS..  trans-98.919.5-176.4-56.4179.5-23.800113.1M341 R344 A348 S349 A352M341-Q346 HydrophobicContact CB-CB 4.39Å; M341-Q346 CarbonylContact O-C 3.31Å; M341-Q346 VanDerWaalsContact O-CA 3.29Å; M341-Q346 WeakPolarHBondContact O-CA 3.37Å; M341-Q346 VanDerWaalsContact O-CB 3.29Å; M341-Q346 WeakPolarHBondContact O-CB 3.13Å; M341-Q346 PolarHBondContact O-N 2.98Å; R344-Q346 VanDerWaalsContact C-N 3.28Å; R344-Q346 HydrophobicContact CB-CG 4.23Å; R344-Q346 PolarHBondContact O-N 3.42Å; Q346-A348 VanDerWaalsContact C-N 3.32Å; Q346-A348 PolarHBondContact O-N 3.48Å; Q346-S349 VanDerWaalsContact O-CB 3.24Å; Q346-S349 WeakPolarHBondContact O-CB 3.25Å; Q346-S349 PolarHBondContact O-N 3.47Å; Q346-S349 PolarHBondContact O-OG 2.93Å; Q346-A352 VanDerWaalsContact O-CB 3.3Å; Q346-A352 WeakPolarHBondContact O-CB 3.32Å
347G84.9Confident89.2Confident6 Ų660.3 Ų60.36%0.06234%0.34CS..THydrogen-bonded Turntrans-60.5-35.5-175.100000114.4P287 S349 A352P287-G347 CarbonylContact O-C 3.53Å; P287-G347 WeakPolarHBondContact O-CA 3.24Å; G347-S349 VanDerWaalsContact C-N 3.3Å; G347-S349 PolarHBondContact O-N 2.87Å; G347-A352 WeakPolarHBondContact O-CB 3.49Å
348A89.2Confident89.5Confident62 Ų6260.6 Ų60.651%0.51234%0.341SS..THydrogen-bonded Turntrans-85.35.3176.100000114.1P287 Q346 M353P287-A348 HydrophobicContact CB-CB 4.19Å; Q346-A348 VanDerWaalsContact C-N 3.32Å; Q346-A348 PolarHBondContact O-N 3.48Å; A348-M353 WeakPolarHBondContact O-CE 3.41Å
349S92Very high89.9Confident31 Ų3160.6 Ų60.622%0.21734%0.341CS..SBendtrans-66.8146.8176.467.90000110.8M341 Q346 G347 A351 A352 M353M341-S349 WeakPolarHBondContact CE-OG 3.45Å; Q346-S349 VanDerWaalsContact O-CB 3.24Å; Q346-S349 WeakPolarHBondContact O-CB 3.25Å; Q346-S349 PolarHBondContact O-N 3.47Å; Q346-S349 PolarHBondContact O-OG 2.93Å; G347-S349 VanDerWaalsContact C-N 3.3Å; G347-S349 PolarHBondContact O-N 2.87Å; S349-A351 PolarHBondContact O-N 3.44Å; S349-A352 PolarHBondContact O-N 3.5Å; S349-A352 WeakPolarHBondContact OG-CB 3.38Å; S349-A352 PolarHBondContact OG-N 3.18Å; S349-A352 VanDerWaalsContact OG-N 3.15Å; S349-M353 PolarHBondContact O-N 3.38Å
350P89.9Confident90.4Very high103 Ų10360.9 Ų60.967%0.66934%0.344SS*.Hα-helixtrans-54.2-37.8177-27.634.9000112.8Q354P350-Q354 VanDerWaalsContact O-CB 3.23Å; P350-Q354 WeakPolarHBondContact O-CB 3.29Å; P350-Q354 PolarHBondContact O-N 3.34Å
351A90.9Very high90.9Very high48 Ų4861.4 Ų61.440%0.39735%0.346SS..Hα-helixtrans-67-41.1176.900000112.8M341 S349 K355M341-A351 HydrophobicContact CE-CB 3.83Å; S349-A351 PolarHBondContact O-N 3.44Å; A351-K355 WeakPolarHBondContact O-CG 3.39Å; A351-K355 PolarHBondContact O-N 2.94Å
352A89.7Confident91.3Very high2 Ų260.6 Ų60.62%0.01735%0.345CS..Hα-helixtrans-67.6-44.6177.100000111.6M341 Q346 G347 S349 Q354 K355 A356M341-A352 HydrophobicContact CB-CB 4.16Å; M341-A352 HydrophobicContact CE-CB 3.77Å; M341-A352 HydrophobicContact SD-CB 4.06Å; Q346-A352 VanDerWaalsContact O-CB 3.3Å; Q346-A352 WeakPolarHBondContact O-CB 3.32Å; G347-A352 WeakPolarHBondContact O-CB 3.49Å; S349-A352 PolarHBondContact O-N 3.5Å; S349-A352 WeakPolarHBondContact OG-CB 3.38Å; S349-A352 PolarHBondContact OG-N 3.18Å; S349-A352 VanDerWaalsContact OG-N 3.15Å; A352-Q354 PolarHBondContact O-N 3.38Å; A352-K355 PolarHBondContact O-N 3.46Å; A352-A356 WeakPolarHBondContact O-CB 3.37Å; A352-A356 PolarHBondContact O-N 3.44Å
353M91.5Very high91.8Very high91 Ų9159.8 Ų59.845%0.44834%0.342SS..Hα-helixtrans-63.9-40.4177-68.9-170.1-67.600111.8P287 A348 S349 A356 Q357P287-M353 HydrophobicContact CG-CG 4.49Å; P287-M353 HydrophobicContact CG-SD 4.3Å; A348-M353 WeakPolarHBondContact O-CE 3.41Å; S349-M353 PolarHBondContact O-N 3.38Å; M353-A356 PolarHBondContact O-N 3.5Å; M353-Q357 WeakPolarHBondContact O-CB 3.42Å; M353-Q357 PolarHBondContact O-N 2.94Å
354Q93.9Very high92.4Very high123 Ų12359.9 Ų59.958%0.57533%0.333SS*.Hα-helixtrans-62.8-45.1175.4-174.3-179.61300111.6P350 A352 Q357 Q358P350-Q354 VanDerWaalsContact O-CB 3.23Å; P350-Q354 WeakPolarHBondContact O-CB 3.29Å; P350-Q354 PolarHBondContact O-N 3.34Å; A352-Q354 PolarHBondContact O-N 3.38Å; Q354-Q357 PolarHBondContact O-N 2.93Å; Q354-Q358 VanDerWaalsContact O-CG 3.32Å; Q354-Q358 WeakPolarHBondContact O-CG 3.42Å; Q354-Q358 PolarHBondContact O-N 3.43Å
355K93.8Very high92.8Very high63 Ų6356 Ų5627%0.27433%0.327SS..Hα-helixtrans-65-42.5176.6-75.1-173.8-178.8-167.60112.2Q337 V338 M341 A351 A352 Q357 Q358 V359Q337-K355 HydrophobicContact CB-CD 4.32Å; V338-K355 HydrophobicContact CG2-CB 3.66Å; M341-K355 HydrophobicContact SD-CD 4.35Å; A351-K355 WeakPolarHBondContact O-CG 3.39Å; A351-K355 PolarHBondContact O-N 2.94Å; A352-K355 PolarHBondContact O-N 3.46Å; K355-Q357 VanDerWaalsContact C-N 3.3Å; K355-Q357 PolarHBondContact O-N 3.27Å; K355-Q358 WeakPolarHBondContact O-CB 3.4Å; K355-Q358 PolarHBondContact O-N 2.94Å; K355-V359 WeakPolarHBondContact O-CG2 3.49Å; K355-V359 PolarHBondContact O-N 2.87Å
356A93.1Very high93.3Very high3 Ų352.8 Ų52.83%0.02529%0.294CS..Hα-helixtrans-61.4-39.9176.400000111.7L284 V338 A352 M353 V359 S360L284-A356 HydrophobicContact CD2-CB 4.26Å; L284-A356 WeakPolarHBondContact O-CB 3.44Å; V338-A356 HydrophobicContact CG1-CB 4.24Å; V338-A356 HydrophobicContact CG2-CB 4.25Å; A352-A356 WeakPolarHBondContact O-CB 3.37Å; A352-A356 PolarHBondContact O-N 3.44Å; M353-A356 PolarHBondContact O-N 3.5Å; A356-V359 PolarHBondContact O-N 3.09Å; A356-S360 PolarHBondContact O-N 3.22Å
357Q95.2Very high93.5Very high108 Ų10849 Ų4951%0.50528%0.279SS..Hα-helixtrans-64.5-41.5173.6-17663.717.100112.3M353 Q354 K355 S360 Q361M353-Q357 WeakPolarHBondContact O-CB 3.42Å; M353-Q357 PolarHBondContact O-N 2.94Å; Q354-Q357 PolarHBondContact O-N 2.93Å; K355-Q357 VanDerWaalsContact C-N 3.3Å; K355-Q357 PolarHBondContact O-N 3.27Å; Q357-S360 PolarHBondContact O-N 3.14Å; Q357-Q361 WeakPolarHBondContact O-CG 3.37Å; Q357-Q361 PolarHBondContact O-N 3.49Å
358Q95.9Very high94Very high78 Ų7850.5 Ų50.536%0.36429%0.294SS..Hα-helixtrans-63.5-40.5175.2-72.8170.9-15.500111.9M334 Q354 K355 S360 Q361 G362M334-Q358 HydrophobicContact CE-CB 3.39Å; M334-Q358 HydrophobicContact CE-CG 4.23Å; Q354-Q358 VanDerWaalsContact O-CG 3.32Å; Q354-Q358 WeakPolarHBondContact O-CG 3.42Å; Q354-Q358 PolarHBondContact O-N 3.43Å; K355-Q358 WeakPolarHBondContact O-CB 3.4Å; K355-Q358 PolarHBondContact O-N 2.94Å; Q358-S360 VanDerWaalsContact C-N 3.34Å; Q358-Q361 PolarHBondContact O-N 3.45Å; Q358-G362 PolarHBondContact O-N 3.21Å
359V96Very high94.2Very high0 Ų050.7 Ų50.70%028%0.283CS..Hα-helixtrans-60.9-46.3173.1176.40000109.8L284 V302 M334 K355 A356 Q361 G362 L363L284-V359 HydrophobicContact CD1-CB 4.23Å; L284-V359 HydrophobicContact CD1-CG1 3.8Å; L284-V359 HydrophobicContact CD2-CB 3.97Å; L284-V359 HydrophobicContact CD2-CG1 3.85Å; V302-V359 HydrophobicContact CG1-CG1 4.36Å; M334-V359 HydrophobicContact CB-CG2 3.58Å; K355-V359 WeakPolarHBondContact O-CG2 3.49Å; K355-V359 PolarHBondContact O-N 2.87Å; A356-V359 PolarHBondContact O-N 3.09Å; V359-Q361 PolarHBondContact O-N 3.42Å; V359-G362 PolarHBondContact O-N 3.41Å; V359-G362 VanDerWaalsContact O-N 3.15Å; V359-L363 HydrophobicContact CG1-CD1 4.47Å; V359-L363 HydrophobicContact CG1-CG 4.38Å; V359-L363 WeakPolarHBondContact O-CG 3.46Å; V359-L363 PolarHBondContact O-N 2.94Å
360S96.3Very high94.3Very high18 Ų1849.2 Ų49.213%0.12627%0.273CS..Hα-helixtrans-59.5-43.6179.7-177.10000112.7A356 Q357 Q358A356-S360 PolarHBondContact O-N 3.22Å; Q357-S360 PolarHBondContact O-N 3.14Å; Q358-S360 VanDerWaalsContact C-N 3.34Å
361Q96.4Very high94.4Very high108 Ų10845 Ų4551%0.50525%0.248SC..Hα-helixtrans-69.4-37.6176.5-70.7174.2-6.600111.5Q357 Q358 V359 L363 D364 V365Q357-Q361 WeakPolarHBondContact O-CG 3.37Å; Q357-Q361 PolarHBondContact O-N 3.49Å; Q358-Q361 PolarHBondContact O-N 3.45Å; V359-Q361 PolarHBondContact O-N 3.42Å; Q361-L363 VanDerWaalsContact C-N 3.34Å; Q361-L363 PolarHBondContact O-N 3.28Å; Q361-D364 PolarHBondContact O-N 3.13Å; Q361-V365 PolarHBondContact O-N 3.12Å
362G96.5Very high94.4Very high12 Ų1246.8 Ų46.812%0.12425%0.251CS..Hα-helixtrans-64.4-35.9176.600000113.3L331 Q358 V359 D364 V365 L366L331-G362 VanDerWaalsContact CD1-C 3.44Å; L331-G362 WeakPolarHBondContact CD1-O 3.11Å; Q358-G362 PolarHBondContact O-N 3.21Å; V359-G362 PolarHBondContact O-N 3.41Å; V359-G362 VanDerWaalsContact O-N 3.15Å; G362-D364 VanDerWaalsContact C-N 3.3Å; G362-D364 PolarHBondContact O-N 3.28Å; G362-V365 PolarHBondContact O-N 3.28Å; G362-L366 WeakPolarHBondContact O-CB 3.48Å; G362-L366 PolarHBondContact O-N 3.03Å
363L96.4Very high94.5Very high0 Ų046.7 Ų46.70%025%0.25CS..Hα-helixtrans-61.4-38.4174.1-69.8178.7000111.8M277 A280 L284 V302 I305 L306 L331 V359 Q361 L366 A367M277-L363 HydrophobicContact SD-CB 4.09Å; A280-L363 HydrophobicContact CB-CD1 4.24Å; L284-L363 HydrophobicContact CD1-CD1 3.89Å; V302-L363 HydrophobicContact CG1-CD1 4.43Å; I305-L363 HydrophobicContact CB-CD2 4.47Å; I305-L363 HydrophobicContact CG2-CD2 3.84Å; L306-L363 HydrophobicContact CD2-CD2 3.95Å; L306-L363 HydrophobicContact CG-CD2 4.5Å; L331-L363 HydrophobicContact CD1-CD2 4.48Å; V359-L363 HydrophobicContact CG1-CD1 4.47Å; V359-L363 HydrophobicContact CG1-CG 4.38Å; V359-L363 WeakPolarHBondContact O-CG 3.46Å; V359-L363 PolarHBondContact O-N 2.94Å; Q361-L363 VanDerWaalsContact C-N 3.34Å; Q361-L363 PolarHBondContact O-N 3.28Å; L363-L366 PolarHBondContact O-N 3.2Å; L363-A367 WeakPolarHBondContact O-CB 3.43Å; L363-A367 PolarHBondContact O-N 3.41Å
364D96.3Very high94.3Very high75 Ų7542.6 Ų42.640%0.40123%0.231SC..Hα-helixtrans-65.7-43.5175.4-71.1-38.3000111.8K281 Q361 G362 L366 A367 G368K281-D364 WeakPolarHBondContact CE-OD1 3.22Å; K281-D364 IonicContact NZ-OD1 3.3Å; K281-D364 PolarHBondContact NZ-OD1 3.35Å; K281-D364 IonicContact NZ-OD2 3.91Å; K281-D364 PolarHBondContact NZ-OD2 2.62Å; Q361-D364 PolarHBondContact O-N 3.13Å; G362-D364 VanDerWaalsContact C-N 3.3Å; G362-D364 PolarHBondContact O-N 3.28Å; D364-L366 VanDerWaalsContact C-N 3.34Å; D364-A367 PolarHBondContact O-N 3.43Å; D364-G368 PolarHBondContact O-N 3.19Å
365V96.3Very high94.1Very high81 Ų8144.6 Ų44.649%0.49123%0.233SC..Hα-helixtrans-62.5-43.6175.6173.80000110.9Q361 G362 G368 K369Q361-V365 PolarHBondContact O-N 3.12Å; G362-V365 PolarHBondContact O-N 3.28Å; V365-G368 PolarHBondContact O-N 3.41Å; V365-K369 HydrophobicContact CG1-CD 4.44Å; V365-K369 WeakPolarHBondContact O-CG 3.3Å; V365-K369 PolarHBondContact O-N 3.13Å
366L95.3Very high93.9Very high1 Ų143.5 Ų43.51%0.00523%0.228CC..Hα-helixtrans-63.4-48.3178.9-177.361000111.1L306 A309 I324 T327 A328 L331 G362 L363 D364 G368 K369 V370L306-L366 HydrophobicContact CD2-CD2 3.69Å; A309-L366 HydrophobicContact CB-CD1 3.92Å; A309-L366 HydrophobicContact CB-CD2 3.54Å; A309-L366 HydrophobicContact CB-CG 3.66Å; I324-L366 HydrophobicContact CG2-CD1 4.1Å; T327-L366 HydrophobicContact CG2-CB 4.19Å; T327-L366 HydrophobicContact CG2-CD1 4.07Å; A328-L366 HydrophobicContact CB-CD1 4.44Å; A328-L366 HydrophobicContact CB-CD2 4.19Å; L331-L366 HydrophobicContact CD1-CB 4.17Å; L331-L366 HydrophobicContact CD1-CD2 4.07Å; G362-L366 WeakPolarHBondContact O-CB 3.48Å; G362-L366 PolarHBondContact O-N 3.03Å; L363-L366 PolarHBondContact O-N 3.2Å; D364-L366 VanDerWaalsContact C-N 3.34Å; L366-G368 VanDerWaalsContact C-N 3.29Å; L366-G368 PolarHBondContact O-N 2.77Å; L366-K369 PolarHBondContact O-N 3.36Å; L366-K369 VanDerWaalsContact O-N 3.16Å; L366-V370 HydrophobicContact CD1-CG2 4.4Å; L366-V370 VanDerWaalsContact O-CG2 3.28Å; L366-V370 WeakPolarHBondContact O-CG2 3.4Å; L366-V370 PolarHBondContact O-N 2.65Å
367A94.4Very high93.7Very high17 Ų1743.9 Ų43.914%0.1423%0.23CC..Hα-helixtrans-58.7-41.517600000111.7I273 M277 L363 D364 K369 V370 G371I273-A367 HydrophobicContact CG2-CB 4.09Å; M277-A367 HydrophobicContact CE-CB 3.83Å; L363-A367 WeakPolarHBondContact O-CB 3.43Å; L363-A367 PolarHBondContact O-N 3.41Å; D364-A367 PolarHBondContact O-N 3.43Å; A367-K369 PolarHBondContact O-N 3.35Å; A367-V370 PolarHBondContact O-N 3.18Å; A367-G371 PolarHBondContact O-N 2.68Å
368G95Very high93.3Very high36 Ų3641.2 Ų41.237%0.37122%0.217SC..Hα-helixtrans-61.2-42.7174.300000113.5D364 V365 L366 G371 N372D364-G368 PolarHBondContact O-N 3.19Å; V365-G368 PolarHBondContact O-N 3.41Å; L366-G368 VanDerWaalsContact C-N 3.29Å; L366-G368 PolarHBondContact O-N 2.77Å; G368-G371 PolarHBondContact O-N 2.79Å; G368-N372 VanDerWaalsContact O-CG 3.23Å; G368-N372 PolarHBondContact O-N 2.89Å; G368-N372 PolarHBondContact O-ND2 3.12Å
369K94.1Very high93Very high67 Ų6739.2 Ų39.229%0.29121%0.214SC..Hα-helixtrans-63.5-47.7175.8-72.1179-179.8-174.20111.8I324 T327 V365 L366 A367 G371 N372 A373I324-K369 HydrophobicContact CG1-CB 4.05Å; T327-K369 PolarHBondContact OG1-NZ 3.03Å; V365-K369 HydrophobicContact CG1-CD 4.44Å; V365-K369 WeakPolarHBondContact O-CG 3.3Å; V365-K369 PolarHBondContact O-N 3.13Å; L366-K369 PolarHBondContact O-N 3.36Å; L366-K369 VanDerWaalsContact O-N 3.16Å; A367-K369 PolarHBondContact O-N 3.35Å; K369-G371 VanDerWaalsContact C-N 3.31Å; K369-G371 PolarHBondContact O-N 3.32Å; K369-N372 PolarHBondContact O-N 2.9Å; K369-A373 PolarHBondContact O-N 2.87Å
370V93.3Very high92.7Very high0 Ų039.2 Ų39.20%021%0.214CC..Hα-helixtrans-59.6-43.2176.7174.10000110.6L270 I273 A309 V312 I324 L366 A367 N372 A373 A374L270-V370 HydrophobicContact CD2-CB 4.16Å; L270-V370 HydrophobicContact CD2-CG1 3.53Å; L270-V370 HydrophobicContact CG-CG1 3.88Å; I273-V370 HydrophobicContact CD1-CG1 4.05Å; A309-V370 HydrophobicContact CB-CG2 3.75Å; V312-V370 HydrophobicContact CB-CG1 3.84Å; V312-V370 HydrophobicContact CB-CG2 4.49Å; V312-V370 HydrophobicContact CG1-CB 4.48Å; V312-V370 HydrophobicContact CG1-CG1 3.78Å; V312-V370 HydrophobicContact CG2-CG1 3.74Å; I324-V370 HydrophobicContact CG2-CG2 4.2Å; L366-V370 HydrophobicContact CD1-CG2 4.4Å; L366-V370 VanDerWaalsContact O-CG2 3.28Å; L366-V370 WeakPolarHBondContact O-CG2 3.4Å; L366-V370 PolarHBondContact O-N 2.65Å; A367-V370 PolarHBondContact O-N 3.18Å; V370-N372 VanDerWaalsContact C-N 3.32Å; V370-N372 PolarHBondContact O-N 3.18Å; V370-A373 PolarHBondContact O-N 3.46Å; V370-A374 PolarHBondContact O-N 3.06Å
371G92.4Very high92.1Very high14 Ų1438.5 Ų38.514%0.14421%0.209CC..Hα-helixtrans-65.2-32177.700000113.8A367 G368 K369 R375A367-G371 PolarHBondContact O-N 2.68Å; G368-G371 PolarHBondContact O-N 2.79Å; K369-G371 VanDerWaalsContact C-N 3.31Å; K369-G371 PolarHBondContact O-N 3.32Å; G371-R375 WeakPolarHBondContact O-CB 3.22Å; G371-R375 VanDerWaalsContact O-CG 3.3Å; G371-R375 WeakPolarHBondContact O-CG 3.43Å; G371-R375 PolarHBondContact O-N 3.49Å; G371-R375 PolarHBondContact O-NE 3.43Å; G371-R375 VanDerWaalsContact O-NE 3.14Å
372N91.6Very high91.6Very high85 Ų8537.1 Ų37.146%0.45521%0.205SC..Hα-helixtrans-71.3-46.2174-70.6-16.3000111.6G368 K369 V370 A374 R375 K376G368-N372 VanDerWaalsContact O-CG 3.23Å; G368-N372 PolarHBondContact O-N 2.89Å; G368-N372 PolarHBondContact O-ND2 3.12Å; K369-N372 PolarHBondContact O-N 2.9Å; V370-N372 VanDerWaalsContact C-N 3.32Å; V370-N372 PolarHBondContact O-N 3.18Å; N372-A374 PolarHBondContact O-N 3.49Å; N372-R375 PolarHBondContact O-N 2.71Å; N372-R375 PolarHBondContact OD1-NH2 3.12Å; N372-K376 WeakPolarHBondContact O-CB 3.29Å; N372-K376 PolarHBondContact O-N 3.41Å
373A90.2Very high91.4Very high1 Ų136.8 Ų36.81%0.00820%0.201CC..Hα-helixtrans-59-46.8178.100000112.1V312 C316 E320 I324 K369 V370 R375 K376 L377V312-A373 HydrophobicContact CG1-CB 4.39Å; C316-A373 VanDerWaalsContact SG-CB 3.59Å; E320-A373 HydrophobicContact CG-CB 4.21Å; E320-A373 WeakPolarHBondContact OE1-CA 3.47Å; I324-A373 HydrophobicContact CD1-CB 4.03Å; K369-A373 PolarHBondContact O-N 2.87Å; V370-A373 PolarHBondContact O-N 3.46Å; A373-R375 PolarHBondContact O-N 3.48Å; A373-K376 PolarHBondContact O-N 2.91Å; A373-L377 PolarHBondContact O-N 3.29Å
374A88.7Confident90.9Very high5 Ų537.5 Ų37.54%0.04120%0.204CC..Hα-helixtrans-61.3-45.9178.500000112.6M266 L270 V370 N372 K376 L377 E378M266-A374 HydrophobicContact CB-CB 3.85Å; M266-A374 HydrophobicContact SD-CB 4.2Å; L270-A374 HydrophobicContact CD1-CB 3.35Å; V370-A374 PolarHBondContact O-N 3.06Å; N372-A374 PolarHBondContact O-N 3.49Å; A374-K376 VanDerWaalsContact C-N 3.34Å; A374-K376 PolarHBondContact O-N 2.95Å; A374-L377 PolarHBondContact O-N 2.91Å; A374-E378 VanDerWaalsContact O-CB 3.31Å; A374-E378 WeakPolarHBondContact O-CB 3.32Å; A374-E378 PolarHBondContact O-N 3.18Å
375R89.8Confident90.3Very high164 Ų16437.4 Ų37.462%0.61920%0.201SC*.Hα-helixtrans-64.8-38177.8-74.9-175.3-67.7172.3-2.1112.2G371 N372 A373 A379G371-R375 WeakPolarHBondContact O-CB 3.22Å; G371-R375 VanDerWaalsContact O-CG 3.3Å; G371-R375 WeakPolarHBondContact O-CG 3.43Å; G371-R375 PolarHBondContact O-N 3.49Å; G371-R375 PolarHBondContact O-NE 3.43Å; G371-R375 VanDerWaalsContact O-NE 3.14Å; N372-R375 PolarHBondContact O-N 2.71Å; N372-R375 PolarHBondContact OD1-NH2 3.12Å; A373-R375 PolarHBondContact O-N 3.48Å; R375-A379 WeakPolarHBondContact O-CB 3.26Å; R375-A379 PolarHBondContact O-N 2.78Å
376K89.8Confident89.9Confident41 Ų4134.7 Ų34.718%0.17819%0.187CC..Hα-helixtrans-62.6-51.7176.5-178.8-172.9175.4-170.50110.9N372 A373 A374 E378 A379 M380 M424 E426N372-K376 WeakPolarHBondContact O-CB 3.29Å; N372-K376 PolarHBondContact O-N 3.41Å; A373-K376 PolarHBondContact O-N 2.91Å; A374-K376 VanDerWaalsContact C-N 3.34Å; A374-K376 PolarHBondContact O-N 2.95Å; K376-E378 PolarHBondContact O-N 3.19Å; K376-A379 PolarHBondContact O-N 3.33Å; K376-M380 HydrophobicContact CG-SD 4.5Å; K376-M380 WeakPolarHBondContact O-CG 3.47Å; K376-M380 PolarHBondContact O-N 3.36Å; K376-M424 WeakPolarHBondContact CE-O 3.43Å; K376-M424 HydrophobicContact CG-CB 4.3Å; K376-M424 HydrophobicContact CG-CG 4.41Å; K376-M424 HydrophobicContact CG-SD 4.21Å; K376-E426 IonicContact NZ-OE1 2.71Å; K376-E426 PolarHBondContact NZ-OE1 3.12Å
377L87.3Confident89.6Confident11 Ų1134.7 Ų34.76%0.05819%0.187CC..Hα-helixtrans-63.4-41.6-180-178.261.8000112.1D262 M266 A373 A374 T381 R488D262-L377 HydrophobicContact CB-CD2 3.86Å; M266-L377 HydrophobicContact CE-CD2 3.53Å; M266-L377 HydrophobicContact SD-CB 4.19Å; M266-L377 HydrophobicContact SD-CD2 3.67Å; A373-L377 PolarHBondContact O-N 3.29Å; A374-L377 PolarHBondContact O-N 2.91Å; L377-T381 WeakPolarHBondContact O-CB 3.36Å; L377-T381 PolarHBondContact O-N 3.13Å; L377-T381 PolarHBondContact O-OG1 3.18Å; L377-R488 HydrophobicContact CD1-CG 4.19Å
378E86.6Confident89Confident51 Ų5135.8 Ų35.824%0.23820%0.196CC..Hα-helixtrans-61.3-48.2174.6178.8170.6-165.300111.4T263 K267 A374 K376 M380 T381 N382T263-E378 HydrophobicContact CG2-CB 3.76Å; T263-E378 HydrophobicContact CG2-CG 4.04Å; K267-E378 VanDerWaalsContact CE-OE1 3.27Å; K267-E378 WeakPolarHBondContact CE-OE1 3.32Å; K267-E378 WeakPolarHBondContact CE-OE2 3.34Å; K267-E378 IonicContact NZ-OE1 2.72Å; K267-E378 PolarHBondContact NZ-OE1 3.45Å; K267-E378 IonicContact NZ-OE2 3.8Å; K267-E378 PolarHBondContact NZ-OE2 3.04Å; A374-E378 VanDerWaalsContact O-CB 3.31Å; A374-E378 WeakPolarHBondContact O-CB 3.32Å; A374-E378 PolarHBondContact O-N 3.18Å; K376-E378 PolarHBondContact O-N 3.19Å; E378-M380 PolarHBondContact O-N 3.41Å; E378-T381 PolarHBondContact O-N 2.92Å; E378-N382 WeakPolarHBondContact CG-ND2 3.49Å; E378-N382 WeakPolarHBondContact O-CB 3.36Å; E378-N382 VanDerWaalsContact O-CG 3.22Å; E378-N382 PolarHBondContact O-N 2.94Å; E378-N382 PolarHBondContact O-ND2 3.05Å
379A89.8Confident88.3Confident36 Ų3641.6 Ų41.630%0.29821%0.211SC..Hα-helixtrans-61.3-45179.100000111.7R375 K376 T381 N382 S383 M424R375-A379 WeakPolarHBondContact O-CB 3.26Å; R375-A379 PolarHBondContact O-N 2.78Å; K376-A379 PolarHBondContact O-N 3.33Å; A379-T381 VanDerWaalsContact C-N 3.33Å; A379-T381 PolarHBondContact O-N 3.1Å; A379-N382 PolarHBondContact O-N 3.42Å; A379-S383 WeakPolarHBondContact O-CB 3.42Å; A379-S383 PolarHBondContact O-N 2.99Å; A379-S383 PolarHBondContact O-OG 3.29Å; A379-M424 HydrophobicContact CB-CE 3.97Å; A379-M424 HydrophobicContact CB-SD 3.78Å
380M89.4Confident88Confident1 Ų142.5 Ų42.51%0.00521%0.213CC..Hα-helixtrans-59.1-43.9175.3-75.1-173.389.200111.9K376 E378 K384 I421 M424 V484K376-M380 HydrophobicContact CG-SD 4.5Å; K376-M380 WeakPolarHBondContact O-CG 3.47Å; K376-M380 PolarHBondContact O-N 3.36Å; E378-M380 PolarHBondContact O-N 3.41Å; M380-K384 WeakPolarHBondContact O-CB 3.46Å; M380-K384 PolarHBondContact O-N 3Å; M380-I421 HydrophobicContact CE-CG2 4.1Å; M380-M424 HydrophobicContact CB-CE 4.37Å; M380-M424 HydrophobicContact CG-CB 3.97Å; M380-M424 HydrophobicContact CG-CE 3.58Å; M380-M424 HydrophobicContact CG-SD 3.81Å; M380-M424 HydrophobicContact SD-CB 4.13Å; M380-V484 HydrophobicContact CB-CG2 4.25Å; M380-V484 HydrophobicContact CE-CG2 4.04Å
381T85.3Confident87.6Confident3 Ų342.7 Ų42.72%0.01821%0.214CC..Hα-helixtrans-68-42.6179.6-55.70000111.6A259 L377 E378 A379 K384 Q385 R488A259-T381 HydrophobicContact CB-CG2 3.93Å; L377-T381 WeakPolarHBondContact O-CB 3.36Å; L377-T381 PolarHBondContact O-N 3.13Å; L377-T381 PolarHBondContact O-OG1 3.18Å; E378-T381 PolarHBondContact O-N 2.92Å; A379-T381 VanDerWaalsContact C-N 3.33Å; A379-T381 PolarHBondContact O-N 3.1Å; T381-K384 WeakPolarHBondContact O-CB 3.43Å; T381-K384 PolarHBondContact O-N 3.29Å; T381-Q385 WeakPolarHBondContact O-CG 3.45Å; T381-Q385 PolarHBondContact O-N 2.75Å; T381-R488 PolarHBondContact OG1-NH2 3.43Å
382N86.1Confident86.8Confident78 Ų7847.3 Ų47.342%0.41724%0.235SC..Hα-helixtrans-64.7-42.4176.3-72-16.8000111.7E378 A379 Q385 A386E378-N382 WeakPolarHBondContact CG-ND2 3.49Å; E378-N382 WeakPolarHBondContact O-CB 3.36Å; E378-N382 VanDerWaalsContact O-CG 3.22Å; E378-N382 PolarHBondContact O-N 2.94Å; E378-N382 PolarHBondContact O-ND2 3.05Å; A379-N382 PolarHBondContact O-N 3.42Å; N382-Q385 PolarHBondContact O-N 3.42Å; N382-A386 VanDerWaalsContact O-CB 3.32Å; N382-A386 WeakPolarHBondContact O-CB 3.48Å; N382-A386 PolarHBondContact O-N 3.36Å
383S90.9Very high86.4Confident5 Ų545.5 Ų45.54%0.03523%0.232CC..Hα-helixtrans-62.2-42.2174.2-710000111.5A379 Q385 A386 I387 E417A379-S383 WeakPolarHBondContact O-CB 3.42Å; A379-S383 PolarHBondContact O-N 2.99Å; A379-S383 PolarHBondContact O-OG 3.29Å; S383-Q385 PolarHBondContact O-N 3.26Å; S383-A386 PolarHBondContact O-N 3.27Å; S383-I387 VanDerWaalsContact O-CG1 3.27Å; S383-I387 WeakPolarHBondContact O-CG1 3.48Å; S383-I387 PolarHBondContact O-N 2.97Å; S383-E417 WeakPolarHBondContact CA-OE2 3.35Å; S383-E417 VanDerWaalsContact CB-OE2 3.3Å; S383-E417 WeakPolarHBondContact CB-OE2 3.45Å; S383-E417 PolarHBondContact OG-OE2 3.47Å
384K87.1Confident86.2Confident16 Ų1645.4 Ų45.47%0.0723%0.232CC..Hα-helixtrans-57-49.3173.2177.8178.5175.1178.10111.7D256 M380 T381 A386 I387 A388 N481 V484D256-K384 VanDerWaalsContact CG-NZ 3.3Å; D256-K384 VanDerWaalsContact OD1-CE 3.26Å; D256-K384 WeakPolarHBondContact OD1-CE 3.33Å; D256-K384 IonicContact OD1-NZ 3.8Å; D256-K384 PolarHBondContact OD1-NZ 3.48Å; D256-K384 WeakPolarHBondContact OD2-CE 3.26Å; D256-K384 IonicContact OD2-NZ 3.41Å; D256-K384 PolarHBondContact OD2-NZ 3.09Å; M380-K384 WeakPolarHBondContact O-CB 3.46Å; M380-K384 PolarHBondContact O-N 3Å; T381-K384 WeakPolarHBondContact O-CB 3.43Å; T381-K384 PolarHBondContact O-N 3.29Å; K384-A386 VanDerWaalsContact C-N 3.35Å; K384-A386 PolarHBondContact O-N 2.91Å; K384-I387 PolarHBondContact O-N 2.98Å; K384-A388 PolarHBondContact O-N 3.25Å; K384-N481 VanDerWaalsContact CE-OD1 3.23Å; K384-N481 WeakPolarHBondContact CE-OD1 3.4Å; K384-V484 HydrophobicContact CB-CG2 4.4Å; K384-V484 HydrophobicContact CD-CG1 4.3Å
385Q83.5Confident86Confident72 Ų7248.3 Ų48.334%0.33624%0.244SC..Hα-helixtrans-64.7-38.3178.6-70179.86.900112.4N260 T381 N382 S383 A388 K389N260-Q385 PolarHBondContact OD1-NE2 2.91Å; T381-Q385 WeakPolarHBondContact O-CG 3.45Å; T381-Q385 PolarHBondContact O-N 2.75Å; N382-Q385 PolarHBondContact O-N 3.42Å; S383-Q385 PolarHBondContact O-N 3.26Å; Q385-A388 PolarHBondContact O-N 3.35Å; Q385-K389 WeakPolarHBondContact O-CG 3.32Å; Q385-K389 PolarHBondContact O-N 3.05Å
386A87Confident85.7Confident25 Ų2541.9 Ų41.921%0.20723%0.229CC..Hα-helixtrans-65.9-39.8176.900000112N382 S383 K384 R390 E417N382-A386 VanDerWaalsContact O-CB 3.32Å; N382-A386 WeakPolarHBondContact O-CB 3.48Å; N382-A386 PolarHBondContact O-N 3.36Å; S383-A386 PolarHBondContact O-N 3.27Å; K384-A386 VanDerWaalsContact C-N 3.35Å; K384-A386 PolarHBondContact O-N 2.91Å; A386-R390 WeakPolarHBondContact O-CB 3.44Å; A386-R390 VanDerWaalsContact O-CG 3.27Å; A386-R390 WeakPolarHBondContact O-CG 3.29Å; A386-R390 PolarHBondContact O-N 3.39Å; A386-R390 VanDerWaalsContact O-N 3.12Å; A386-E417 HydrophobicContact CB-CG 4.03Å
387I88.5Confident85.6Confident1 Ų140.6 Ų40.61%0.00522%0.223CC..Hα-helixtrans-58.9-52.5172-70.5165.9000109.6S383 K384 K389 R390 I391 L414 E417 A418 I421 Q477 T480S383-I387 VanDerWaalsContact O-CG1 3.27Å; S383-I387 WeakPolarHBondContact O-CG1 3.48Å; S383-I387 PolarHBondContact O-N 2.97Å; K384-I387 PolarHBondContact O-N 2.98Å; I387-K389 PolarHBondContact O-N 3.01Å; I387-R390 PolarHBondContact O-N 2.85Å; I387-R390 VanDerWaalsContact O-N 3.14Å; I387-I391 HydrophobicContact CG2-CD1 3.75Å; I387-I391 HydrophobicContact CG2-CG1 4.33Å; I387-I391 WeakPolarHBondContact O-CG1 3.38Å; I387-I391 PolarHBondContact O-N 3.18Å; I387-L414 HydrophobicContact CB-CG 4.44Å; I387-L414 HydrophobicContact CG1-CG 4.27Å; I387-L414 HydrophobicContact CG2-CD1 4.31Å; I387-L414 HydrophobicContact CG2-CD2 4.36Å; I387-L414 HydrophobicContact CG2-CG 4.04Å; I387-E417 HydrophobicContact CD1-CB 4.07Å; I387-E417 HydrophobicContact CG1-CB 3.67Å; I387-A418 HydrophobicContact CD1-CB 4.27Å; I387-I421 HydrophobicContact CD1-CD1 3.69Å; I387-Q477 HydrophobicContact CG2-CG 4.27Å; I387-T480 HydrophobicContact CD1-CG2 4.17Å
388A82.1Confident85.6Confident40 Ų4040.8 Ų40.833%0.33122%0.224SC..Hα-helixtrans-56.2-48.7-179.200000112.4K384 Q385 R390 I391K384-A388 PolarHBondContact O-N 3.25Å; Q385-A388 PolarHBondContact O-N 3.35Å; A388-R390 VanDerWaalsContact C-N 3.3Å; A388-R390 PolarHBondContact O-N 2.97Å; A388-I391 PolarHBondContact O-N 3.39Å
389K81.3Confident85.4Confident157 Ų15741.5 Ų41.568%0.68324%0.238SC*.Hα-helixtrans-61.6-34.9178.4-72.3176.3-177.5177.40113.4Q385 I387Q385-K389 WeakPolarHBondContact O-CG 3.32Å; Q385-K389 PolarHBondContact O-N 3.05Å; I387-K389 PolarHBondContact O-N 3.01Å
390R87.6Confident85.1Confident87 Ų8743.3 Ų43.333%0.32824%0.243SC..Hα-helixtrans-83-22.2-177.4-71.3177.4-178.1-83.44.6112.8A386 I387 A388 D392 A393 A394 N410 L414A386-R390 WeakPolarHBondContact O-CB 3.44Å; A386-R390 VanDerWaalsContact O-CG 3.27Å; A386-R390 WeakPolarHBondContact O-CG 3.29Å; A386-R390 PolarHBondContact O-N 3.39Å; A386-R390 VanDerWaalsContact O-N 3.12Å; I387-R390 PolarHBondContact O-N 2.85Å; I387-R390 VanDerWaalsContact O-N 3.14Å; A388-R390 VanDerWaalsContact C-N 3.3Å; A388-R390 PolarHBondContact O-N 2.97Å; R390-D392 VanDerWaalsContact C-N 3.35Å; R390-D392 PolarHBondContact O-N 2.86Å; R390-A393 PolarHBondContact O-N 2.88Å; R390-A394 WeakPolarHBondContact O-CB 3.42Å; R390-A394 PolarHBondContact O-N 3.24Å; R390-N410 PolarHBondContact NH1-OD1 3.3Å; R390-L414 HydrophobicContact CB-CB 4.44Å
391I84.6Confident84.7Confident4 Ų444.6 Ų44.62%0.02125%0.252CS..Hα-helixtrans-60.9-43.2177.8-81.1173.7000111.4I387 A388 A393 A394 Q395 L414 Q477I387-I391 HydrophobicContact CG2-CD1 3.75Å; I387-I391 HydrophobicContact CG2-CG1 4.33Å; I387-I391 WeakPolarHBondContact O-CG1 3.38Å; I387-I391 PolarHBondContact O-N 3.18Å; A388-I391 PolarHBondContact O-N 3.39Å; I391-A393 PolarHBondContact O-N 3.39Å; I391-A394 WeakPolarHBondContact O-CB 3.36Å; I391-A394 PolarHBondContact O-N 3.24Å; I391-Q395 HydrophobicContact CG2-CG 4.27Å; I391-Q395 WeakPolarHBondContact O-CB 3.2Å; I391-Q395 WeakPolarHBondContact O-CG 3.47Å; I391-Q395 PolarHBondContact O-N 3.36Å; I391-L414 HydrophobicContact CD1-CD1 4.22Å; I391-L414 HydrophobicContact CG1-CD1 3.39Å; I391-Q477 HydrophobicContact CD1-CB 3.69Å; I391-Q477 HydrophobicContact CD1-CG 3.69Å
392D76.5Confident84.6Confident110 Ų11051.6 Ų51.659%0.58828%0.284SS*.Hα-helixtrans-61.9-44.4-179.4-64.6-19.7000111.9R390 Q395 G396R390-D392 VanDerWaalsContact C-N 3.35Å; R390-D392 PolarHBondContact O-N 2.86Å; D392-Q395 PolarHBondContact O-N 3.48Å; D392-G396 PolarHBondContact O-N 3.35Å
393A82.7Confident84.1Confident47 Ų4748.5 Ų48.539%0.38827%0.27SS..Hα-helixtrans-65.1-40.8175.600000111.8R390 I391 G396 W397R390-A393 PolarHBondContact O-N 2.88Å; I391-A393 PolarHBondContact O-N 3.39Å; A393-G396 PolarHBondContact O-N 3Å; A393-W397 PolarHBondContact O-N 3.29Å
394A86.4Confident83.5Confident0 Ų050.8 Ų50.80%029%0.286CS..Hα-helixtrans-64-41.5176.100000111.9R390 I391 W397 L398 I411 L473R390-A394 WeakPolarHBondContact O-CB 3.42Å; R390-A394 PolarHBondContact O-N 3.24Å; I391-A394 WeakPolarHBondContact O-CB 3.36Å; I391-A394 PolarHBondContact O-N 3.24Å; A394-W397 PolarHBondContact O-N 2.86Å; A394-L398 VanDerWaalsContact O-CG 3.25Å; A394-L398 WeakPolarHBondContact O-CG 3.46Å; A394-L398 PolarHBondContact O-N 3.5Å; A394-I411 HydrophobicContact CB-CD1 4.36Å; A394-I411 HydrophobicContact CB-CG1 3.68Å; A394-L473 HydrophobicContact CB-CD1 4.13Å
395Q83.6Confident83.2Confident65 Ų6555 Ų5530%0.30432%0.315SS..Hα-helixtrans-63.8-41175.1-74.4-174.70.200111.6I391 D392 W397 L398 A399I391-Q395 HydrophobicContact CG2-CG 4.27Å; I391-Q395 WeakPolarHBondContact O-CB 3.2Å; I391-Q395 WeakPolarHBondContact O-CG 3.47Å; I391-Q395 PolarHBondContact O-N 3.36Å; D392-Q395 PolarHBondContact O-N 3.48Å; Q395-W397 VanDerWaalsContact C-N 3.34Å; Q395-W397 PolarHBondContact O-N 3.15Å; Q395-L398 PolarHBondContact O-N 3.34Å; Q395-A399 WeakPolarHBondContact O-CB 3.37Å; Q395-A399 PolarHBondContact O-N 3.01Å
396G83.1Confident82.9Confident29 Ų2958 Ų5830%0.29933%0.33SS..Hα-helixtrans-57-45.9172.200000112.6D392 A393 A399 D400D392-G396 PolarHBondContact O-N 3.35Å; A393-G396 PolarHBondContact O-N 3Å; G396-A399 PolarHBondContact O-N 2.97Å; G396-D400 PolarHBondContact O-N 3.14Å
397W87.6Confident82.6Confident15 Ų1557.1 Ų57.16%0.05732%0.323CS..Hα-helixtrans-67.7-35.8177.4177.980.8000113.9A393 A394 Q395 A399 D400 G403 S404 G407 E408 I411 T445 L448 R452A393-W397 PolarHBondContact O-N 3.29Å; A394-W397 PolarHBondContact O-N 2.86Å; Q395-W397 VanDerWaalsContact C-N 3.34Å; Q395-W397 PolarHBondContact O-N 3.15Å; W397-A399 VanDerWaalsContact C-N 3.3Å; W397-D400 PolarHBondContact O-N 3.43Å; W397-D400 VanDerWaalsContact O-O 3.04Å; W397-G403 PolarHBondContact NE1-O 2.93Å; W397-S404 VanDerWaalsContact CD1-O 3.28Å; W397-S404 PolarHBondContact NE1-O 2.91Å; W397-G407 VanDerWaalsContact CD1-CA 3.44Å; W397-E408 HydrophobicContact CH2-CB 4.27Å; W397-E408 HydrophobicContact CZ2-CB 3.93Å; W397-I411 HydrophobicContact CE3-CD1 3.58Å; W397-I411 HydrophobicContact CZ3-CD1 3.46Å; W397-I411 VanDerWaalsContact CZ3-CD1 3.46Å; W397-T445 HydrophobicContact CH2-CG2 4.3Å; W397-T445 HydrophobicContact CZ3-CG2 4.34Å; W397-L448 HydrophobicContact CH2-CD2 4.15Å; W397-L448 HydrophobicContact CZ3-CD2 3.99Å; W397-R452 VanDerWaalsContact CD2-NH1 3.31Å; W397-R452 VanDerWaalsContact CZ2-NH1 3.35Å; W397-R452 VanDerWaalsContact NE1-NH1 3.13Å; W397-R452 PolarHBondContact O-NH1 3.41Å; W397-R452 PolarHBondContact O-NH2 3.33Å
398L87Confident82.5Confident14 Ų1458.9 Ų58.97%0.07333%0.331CS..Hα-helixtrans-68.4-33176.1-71.7168.6000111.6A394 Q395 I411 L448 R452 A466 I469 A470 L473A394-L398 VanDerWaalsContact O-CG 3.25Å; A394-L398 WeakPolarHBondContact O-CG 3.46Å; A394-L398 PolarHBondContact O-N 3.5Å; Q395-L398 PolarHBondContact O-N 3.34Å; L398-I411 HydrophobicContact CD2-CD1 4.3Å; L398-I411 HydrophobicContact CG-CD1 4.4Å; L398-L448 HydrophobicContact CD2-CD2 3.71Å; L398-R452 PolarHBondContact O-NH2 3.1Å; L398-A466 HydrophobicContact CD2-CB 4.22Å; L398-I469 HydrophobicContact CD1-CB 4.38Å; L398-I469 HydrophobicContact CD1-CG2 3.9Å; L398-I469 HydrophobicContact CD2-CB 3.99Å; L398-I469 HydrophobicContact CD2-CD1 4.26Å; L398-I469 HydrophobicContact CD2-CG2 3.81Å; L398-A470 HydrophobicContact CD1-CB 3.94Å; L398-L473 HydrophobicContact CD1-CD1 3.72Å
399A82.8Confident82.7Confident66 Ų6663.3 Ų63.355%0.54535%0.345SS..Hα-helixtrans-73.5-29177.600000113.2Q395 G396 W397 P401Q395-A399 WeakPolarHBondContact O-CB 3.37Å; Q395-A399 PolarHBondContact O-N 3.01Å; G396-A399 PolarHBondContact O-N 2.97Å; W397-A399 VanDerWaalsContact C-N 3.3Å; A399-P401 WeakPolarHBondContact O-CD 3.32Å
400D83.8Confident83Confident74 Ų7458 Ų5840%0.39632%0.323SS..  trans-89111176.4-177.92.8000111.6G396 W397 H402 G403 R452G396-D400 PolarHBondContact O-N 3.14Å; W397-D400 PolarHBondContact O-N 3.43Å; W397-D400 VanDerWaalsContact O-O 3.04Å; D400-H402 PolarHBondContact O-N 3.25Å; D400-H402 VanDerWaalsContact O-N 3.1Å; D400-H402 PolarHBondContact OD1-N 3.31Å; D400-G403 PolarHBondContact O-N 3.47Å; D400-G403 VanDerWaalsContact O-N 3.12Å; D400-G403 PolarHBondContact OD2-N 2.89Å; D400-R452 PolarHBondContact O-NH1 3.05Å; D400-R452 PolarHBondContact O-NH2 3.22Å
401P81.6Confident83.2Confident28 Ų2853.8 Ų53.818%0.18231%0.308CS..THydrogen-bonded Turntrans-59.9-19.3176.8-22.835.7000114.3A399 D458A399-P401 WeakPolarHBondContact O-CD 3.32Å; P401-D458 HydrophobicContact CB-CB 4.29Å
402H82.1Confident83.5Confident151 Ų15158.9 Ų58.970%0.69933%0.33SS*.THydrogen-bonded Turntrans-110.815.1-179.1-58.2-60.9000113.2D400D400-H402 PolarHBondContact O-N 3.25Å; D400-H402 VanDerWaalsContact O-N 3.1Å; D400-H402 PolarHBondContact OD1-N 3.31Å
403G76.9Confident84.2Confident13 Ų1354.6 Ų54.613%0.13431%0.309CS..  trans-55.3140.7-176.100000113.6W397 D400W397-G403 PolarHBondContact NE1-O 2.93Å; D400-G403 PolarHBondContact O-N 3.47Å; D400-G403 VanDerWaalsContact O-N 3.12Å; D400-G403 PolarHBondContact OD2-N 2.89Å
404S77.9Confident84.8Confident53 Ų5352.4 Ų52.437%0.37129%0.291SS..  trans-65161.7-175.869.20000113.3W397 E406 G407W397-S404 VanDerWaalsContact CD1-O 3.28Å; W397-S404 PolarHBondContact NE1-O 2.91Å; S404-E406 PolarHBondContact O-N 3.19Å; S404-E406 VanDerWaalsContact O-N 3.11Å; S404-E406 WeakPolarHBondContact OG-CB 3.28Å; S404-E406 PolarHBondContact OG-OE2 2.85Å; S404-G407 PolarHBondContact O-N 2.83Å; S404-G407 VanDerWaalsContact O-N 3.12Å
405P79.8Confident85.2Confident104 Ų10452.7 Ų52.768%0.67529%0.293SS*.Hα-helixtrans-56.6-22.5172.7-25.935.4000114.5G407 E408 E409P405-G407 PolarHBondContact O-N 3.29Å; P405-E408 WeakPolarHBondContact O-CB 3.21Å; P405-E408 PolarHBondContact O-N 3.5Å; P405-E409 PolarHBondContact O-N 3.05Å; P405-E409 VanDerWaalsContact O-N 3.16Å
406E78.8Confident85.7Confident136 Ų13653.6 Ų53.664%0.63630%0.3SS*.Hα-helixtrans-63.1-30.8177.3-58.1169.7162.800112S404 E409 N410S404-E406 PolarHBondContact O-N 3.19Å; S404-E406 VanDerWaalsContact O-N 3.11Å; S404-E406 WeakPolarHBondContact OG-CB 3.28Å; S404-E406 PolarHBondContact OG-OE2 2.85Å; E406-E409 WeakPolarHBondContact O-CB 3.39Å; E406-E409 PolarHBondContact O-N 2.88Å; E406-N410 PolarHBondContact O-N 2.79Å; E406-N410 VanDerWaalsContact O-N 3.14Å; E406-N410 PolarHBondContact O-ND2 3.27Å
407G80.4Confident86.3Confident6 Ų653.7 Ų53.76%0.06229%0.292CS..Hα-helixtrans-73.6-30.9175.500000113.6W397 S404 P405 E409 N410 I411W397-G407 VanDerWaalsContact CD1-CA 3.44Å; S404-G407 PolarHBondContact O-N 2.83Å; S404-G407 VanDerWaalsContact O-N 3.12Å; P405-G407 PolarHBondContact O-N 3.29Å; G407-E409 VanDerWaalsContact C-N 3.33Å; G407-N410 PolarHBondContact O-N 3.45Å; G407-I411 PolarHBondContact O-N 3.02Å
408E85.4Confident86.7Confident38 Ų3853 Ų5318%0.17829%0.29CS..Hα-helixtrans-65.7-39.6169.8-178-173.6155.400110.8W397 P405 N410 I411 K412 T445 S449W397-E408 HydrophobicContact CH2-CB 4.27Å; W397-E408 HydrophobicContact CZ2-CB 3.93Å; P405-E408 WeakPolarHBondContact O-CB 3.21Å; P405-E408 PolarHBondContact O-N 3.5Å; E408-N410 VanDerWaalsContact C-N 3.28Å; E408-N410 PolarHBondContact O-N 3.02Å; E408-I411 PolarHBondContact O-N 3.49Å; E408-K412 PolarHBondContact O-N 3.46Å; E408-K412 WeakPolarHBondContact OE1-CE 3.24Å; E408-K412 IonicContact OE1-NZ 3.76Å; E408-K412 PolarHBondContact OE1-NZ 2.59Å; E408-T445 HydrophobicContact CG-CG2 4.26Å; E408-S449 WeakPolarHBondContact OE2-CB 3.41Å; E408-S449 PolarHBondContact OE2-OG 3.39Å
409E87.5Confident87.1Confident133 Ų13357.2 Ų57.262%0.62131%0.305SS*.Hα-helixtrans-61.9-36.8176.2-169.3173.3-175.400112P405 E406 G407 I411 K412 A413P405-E409 PolarHBondContact O-N 3.05Å; P405-E409 VanDerWaalsContact O-N 3.16Å; E406-E409 WeakPolarHBondContact O-CB 3.39Å; E406-E409 PolarHBondContact O-N 2.88Å; G407-E409 VanDerWaalsContact C-N 3.33Å; E409-I411 PolarHBondContact O-N 3.47Å; E409-K412 PolarHBondContact O-N 3.42Å; E409-A413 WeakPolarHBondContact O-CB 3.16Å; E409-A413 PolarHBondContact O-N 3.02Å
410N87.2Confident87.7Confident44 Ų4458.9 Ų58.924%0.23530%0.3CS..Hα-helixtrans-61.7-41.3173.1-79.5-47.6000113R390 E406 G407 E408 A413 L414R390-N410 PolarHBondContact NH1-OD1 3.3Å; E406-N410 PolarHBondContact O-N 2.79Å; E406-N410 VanDerWaalsContact O-N 3.14Å; E406-N410 PolarHBondContact O-ND2 3.27Å; G407-N410 PolarHBondContact O-N 3.45Å; E408-N410 VanDerWaalsContact C-N 3.28Å; E408-N410 PolarHBondContact O-N 3.02Å; N410-A413 PolarHBondContact O-N 2.89Å; N410-L414 WeakPolarHBondContact O-CB 3.33Å; N410-L414 PolarHBondContact O-N 3.12Å
411I91Very high88.1Confident0 Ų055.4 Ų55.40%028%0.281CS..Hα-helixtrans-66.5-44.6174.7-64.9175.5000110.3A394 W397 L398 G407 E408 E409 A413 L414 L415 T445 I469 L473A394-I411 HydrophobicContact CB-CD1 4.36Å; A394-I411 HydrophobicContact CB-CG1 3.68Å; W397-I411 HydrophobicContact CE3-CD1 3.58Å; W397-I411 HydrophobicContact CZ3-CD1 3.46Å; W397-I411 VanDerWaalsContact CZ3-CD1 3.46Å; L398-I411 HydrophobicContact CD2-CD1 4.3Å; L398-I411 HydrophobicContact CG-CD1 4.4Å; G407-I411 PolarHBondContact O-N 3.02Å; E408-I411 PolarHBondContact O-N 3.49Å; E409-I411 PolarHBondContact O-N 3.47Å; I411-A413 VanDerWaalsContact C-N 3.33Å; I411-A413 PolarHBondContact O-N 3.33Å; I411-L414 WeakPolarHBondContact O-CB 3.4Å; I411-L414 PolarHBondContact O-N 2.87Å; I411-L415 HydrophobicContact CG2-CD1 4.22Å; I411-L415 HydrophobicContact CG2-CG 4.34Å; I411-L415 VanDerWaalsContact O-CG 3.32Å; I411-L415 WeakPolarHBondContact O-CG 3.44Å; I411-L415 PolarHBondContact O-N 3.42Å; I411-T445 HydrophobicContact CB-CG2 4.24Å; I411-T445 HydrophobicContact CD1-CG2 3.95Å; I411-T445 HydrophobicContact CG2-CG2 3.93Å; I411-I469 HydrophobicContact CD1-CG2 4.42Å; I411-L473 HydrophobicContact CD1-CD1 4.44Å; I411-L473 HydrophobicContact CG1-CD1 4.46Å; I411-L473 HydrophobicContact CG2-CD2 4.42Å
412K91.1Very high88.7Confident110 Ų11054 Ų5448%0.47827%0.272SS..Hα-helixtrans-58.5-44.2176.2-73.3176.2-178.1164.40112.1E408 E409 L414 L415 N416E408-K412 PolarHBondContact O-N 3.46Å; E408-K412 WeakPolarHBondContact OE1-CE 3.24Å; E408-K412 IonicContact OE1-NZ 3.76Å; E408-K412 PolarHBondContact OE1-NZ 2.59Å; E409-K412 PolarHBondContact O-N 3.42Å; K412-L414 VanDerWaalsContact C-N 3.35Å; K412-L415 PolarHBondContact O-N 3.42Å; K412-N416 PolarHBondContact O-N 3.05Å; K412-N416 PolarHBondContact O-ND2 3.14Å
413A92Very high89.2Confident20 Ų2051.8 Ų51.817%0.16527%0.265CS..Hα-helixtrans-62.1-42.5176.800000111.7E409 N410 I411 L415 N416 E417E409-A413 WeakPolarHBondContact O-CB 3.16Å; E409-A413 PolarHBondContact O-N 3.02Å; N410-A413 PolarHBondContact O-N 2.89Å; I411-A413 VanDerWaalsContact C-N 3.33Å; I411-A413 PolarHBondContact O-N 3.33Å; A413-L415 PolarHBondContact O-N 3.31Å; A413-N416 WeakPolarHBondContact O-CB 3.36Å; A413-N416 PolarHBondContact O-N 3.49Å; A413-E417 PolarHBondContact O-N 2.89Å
414L93.8Very high89.8Confident1 Ų153.1 Ų53.11%0.00527%0.268CS..Hα-helixtrans-58.9-46.8174.4-177.4164000111.7I387 R390 I391 N410 I411 K412 N416 E417 A418 L473 L476I387-L414 HydrophobicContact CB-CG 4.44Å; I387-L414 HydrophobicContact CG1-CG 4.27Å; I387-L414 HydrophobicContact CG2-CD1 4.31Å; I387-L414 HydrophobicContact CG2-CD2 4.36Å; I387-L414 HydrophobicContact CG2-CG 4.04Å; R390-L414 HydrophobicContact CB-CB 4.44Å; I391-L414 HydrophobicContact CD1-CD1 4.22Å; I391-L414 HydrophobicContact CG1-CD1 3.39Å; N410-L414 WeakPolarHBondContact O-CB 3.33Å; N410-L414 PolarHBondContact O-N 3.12Å; I411-L414 WeakPolarHBondContact O-CB 3.4Å; I411-L414 PolarHBondContact O-N 2.87Å; K412-L414 VanDerWaalsContact C-N 3.35Å; L414-N416 VanDerWaalsContact C-N 3.27Å; L414-N416 PolarHBondContact O-N 2.8Å; L414-E417 PolarHBondContact O-N 3.3Å; L414-E417 VanDerWaalsContact O-N 3.15Å; L414-A418 PolarHBondContact O-N 3.04Å; L414-L473 HydrophobicContact CD1-CD2 4Å; L414-L473 HydrophobicContact CD2-CD2 3.97Å; L414-L476 HydrophobicContact CD2-CD2 3.79Å
415L94.8Very high90.2Very high7 Ų751.6 Ų51.64%0.03726%0.258CS..Hα-helixtrans-62.5-34.8178.1-64.2178.4000112.2I411 K412 A413 A418 R419 A438 L441 A442 L476I411-L415 HydrophobicContact CG2-CD1 4.22Å; I411-L415 HydrophobicContact CG2-CG 4.34Å; I411-L415 VanDerWaalsContact O-CG 3.32Å; I411-L415 WeakPolarHBondContact O-CG 3.44Å; I411-L415 PolarHBondContact O-N 3.42Å; K412-L415 PolarHBondContact O-N 3.42Å; A413-L415 PolarHBondContact O-N 3.31Å; L415-A418 PolarHBondContact O-N 3.04Å; L415-R419 WeakPolarHBondContact O-CG 3.3Å; L415-R419 PolarHBondContact O-N 3.25Å; L415-A438 HydrophobicContact CD2-CB 4.17Å; L415-L441 HydrophobicContact CD1-CB 4.45Å; L415-L441 HydrophobicContact CD2-CB 3.86Å; L415-L441 HydrophobicContact CD2-CD1 4.04Å; L415-A442 HydrophobicContact CD1-CB 3.85Å; L415-L476 HydrophobicContact CD2-CD2 3.53Å
416N95.5Very high90.3Very high84 Ų8451.3 Ų51.345%0.44925%0.247SC..Hα-helixtrans-66.2-40.7174.1-71.7-23.9000112K412 A413 L414 R419 K420K412-N416 PolarHBondContact O-N 3.05Å; K412-N416 PolarHBondContact O-ND2 3.14Å; A413-N416 WeakPolarHBondContact O-CB 3.36Å; A413-N416 PolarHBondContact O-N 3.49Å; L414-N416 VanDerWaalsContact C-N 3.27Å; L414-N416 PolarHBondContact O-N 2.8Å; N416-R419 PolarHBondContact O-N 2.72Å; N416-K420 WeakPolarHBondContact O-CG 3.47Å; N416-K420 PolarHBondContact O-N 2.81Å
417E95.5Very high90.6Very high30 Ų3048.4 Ų48.414%0.1424%0.236CC..Hα-helixtrans-65-39.3173.9-64.8-53.7137.800112S383 A386 I387 A413 L414 R419 K420 I421S383-E417 WeakPolarHBondContact CA-OE2 3.35Å; S383-E417 VanDerWaalsContact CB-OE2 3.3Å; S383-E417 WeakPolarHBondContact CB-OE2 3.45Å; S383-E417 PolarHBondContact OG-OE2 3.47Å; A386-E417 HydrophobicContact CB-CG 4.03Å; I387-E417 HydrophobicContact CD1-CB 4.07Å; I387-E417 HydrophobicContact CG1-CB 3.67Å; A413-E417 PolarHBondContact O-N 2.89Å; L414-E417 PolarHBondContact O-N 3.3Å; L414-E417 VanDerWaalsContact O-N 3.15Å; E417-R419 VanDerWaalsContact C-N 3.32Å; E417-R419 PolarHBondContact O-N 3.45Å; E417-K420 WeakPolarHBondContact O-CB 3.37Å; E417-K420 PolarHBondContact O-N 3.36Å; E417-K420 IonicContact OE1-NZ 3.23Å; E417-K420 PolarHBondContact OE1-NZ 3.49Å; E417-K420 WeakPolarHBondContact OE2-CD 3.37Å; E417-K420 IonicContact OE2-NZ 3.75Å; E417-K420 PolarHBondContact OE2-NZ 3.35Å; E417-I421 PolarHBondContact O-N 2.73Å; E417-I421 VanDerWaalsContact O-N 3.08Å
418A95.4Very high90.9Very high0 Ų052.3 Ų52.30%026%0.26CS..Hα-helixtrans-63-38.2174.700000112.4I387 L414 L415 I421 A422 I434 L476 T480I387-A418 HydrophobicContact CD1-CB 4.27Å; L414-A418 PolarHBondContact O-N 3.04Å; L415-A418 PolarHBondContact O-N 3.04Å; A418-I421 PolarHBondContact O-N 3.36Å; A418-A422 PolarHBondContact O-N 2.88Å; A418-I434 HydrophobicContact CB-CG2 4.43Å; A418-L476 HydrophobicContact CB-CD1 4.08Å; A418-L476 HydrophobicContact CB-CD2 3.83Å; A418-L476 HydrophobicContact CB-CG 4.11Å; A418-T480 HydrophobicContact CB-CG2 3.81Å
419R95.6Very high91.2Very high104 Ų10457 Ų5739%0.39228%0.28SS..Hα-helixtrans-65-41.2173.7-72.3173.4-173.2-172.12.2112.3L415 N416 E417 I421 A422 D423 L435L415-R419 WeakPolarHBondContact O-CG 3.3Å; L415-R419 PolarHBondContact O-N 3.25Å; N416-R419 PolarHBondContact O-N 2.72Å; E417-R419 VanDerWaalsContact C-N 3.32Å; E417-R419 PolarHBondContact O-N 3.45Å; R419-I421 VanDerWaalsContact C-N 3.3Å; R419-I421 PolarHBondContact O-N 3.35Å; R419-A422 WeakPolarHBondContact O-CB 3.39Å; R419-A422 PolarHBondContact O-N 3.3Å; R419-A422 VanDerWaalsContact O-N 3.13Å; R419-D423 PolarHBondContact O-N 2.98Å; R419-L435 HydrophobicContact CG-CD2 4.01Å
420K95Very high91.2Very high101 Ų10152.4 Ų52.444%0.43926%0.259SS..Hα-helixtrans-57.6-43.5173.6-71.3174.5-175.7171.30111.6N416 E417 D423 M424N416-K420 WeakPolarHBondContact O-CG 3.47Å; N416-K420 PolarHBondContact O-N 2.81Å; E417-K420 WeakPolarHBondContact O-CB 3.37Å; E417-K420 PolarHBondContact O-N 3.36Å; E417-K420 IonicContact OE1-NZ 3.23Å; E417-K420 PolarHBondContact OE1-NZ 3.49Å; E417-K420 WeakPolarHBondContact OE2-CD 3.37Å; E417-K420 IonicContact OE2-NZ 3.75Å; E417-K420 PolarHBondContact OE2-NZ 3.35Å; K420-D423 PolarHBondContact O-N 3.39Å; K420-M424 HydrophobicContact CB-CE 4.28Å; K420-M424 WeakPolarHBondContact O-CE 3.4Å; K420-M424 WeakPolarHBondContact O-CG 3.38Å; K420-M424 PolarHBondContact O-N 3.47Å
421I93.2Very high91.5Very high0 Ų055.4 Ų55.40%027%0.267CS..Hα-helixtrans-60-48.2174.8-67.8172.7000110.2M380 I387 E417 A418 R419 D423 M424 C425 T480 A483 V484M380-I421 HydrophobicContact CE-CG2 4.1Å; I387-I421 HydrophobicContact CD1-CD1 3.69Å; E417-I421 PolarHBondContact O-N 2.73Å; E417-I421 VanDerWaalsContact O-N 3.08Å; A418-I421 PolarHBondContact O-N 3.36Å; R419-I421 VanDerWaalsContact C-N 3.3Å; R419-I421 PolarHBondContact O-N 3.35Å; I421-D423 VanDerWaalsContact C-N 3.32Å; I421-D423 PolarHBondContact O-N 3.02Å; I421-M424 PolarHBondContact O-N 3.02Å; I421-M424 VanDerWaalsContact O-N 3.08Å; I421-C425 PolarHBondContact O-N 3.33Å; I421-C425 PolarHBondContact O-SG 3.38Å; I421-T480 HydrophobicContact CD1-CG2 4.18Å; I421-A483 HydrophobicContact CG2-CB 4.02Å; I421-V484 HydrophobicContact CD1-CG2 4.1Å; I421-V484 HydrophobicContact CG1-CG2 4.46Å; I421-V484 HydrophobicContact CG2-CG2 4.15Å
422A93.6Very high91.6Very high0 Ų062 Ų620%030%0.298CS..Hα-helixtrans-59.4-39.5179.100000113.1A418 R419 M424 C425 R431 I434 L435A418-A422 PolarHBondContact O-N 2.88Å; R419-A422 WeakPolarHBondContact O-CB 3.39Å; R419-A422 PolarHBondContact O-N 3.3Å; R419-A422 VanDerWaalsContact O-N 3.13Å; A422-M424 PolarHBondContact O-N 2.93Å; A422-C425 WeakPolarHBondContact O-CB 3.25Å; A422-C425 PolarHBondContact O-N 3.08Å; A422-R431 HydrophobicContact CB-CG 4.25Å; A422-R431 WeakPolarHBondContact O-CD 3.32Å; A422-R431 WeakPolarHBondContact O-CG 3.46Å; A422-I434 HydrophobicContact CB-CB 4.09Å; A422-I434 HydrophobicContact CB-CG2 3.85Å; A422-L435 HydrophobicContact CB-CD2 3.94Å; A422-L435 HydrophobicContact CB-CG 3.98Å
423D92.4Very high91.7Very high103 Ų10360.3 Ų60.355%0.55129%0.291SS*.Hα-helixtrans-69.7-21.1177.7-73.1-30.8000113.4R419 K420 I421 R431R419-D423 PolarHBondContact O-N 2.98Å; K420-D423 PolarHBondContact O-N 3.39Å; I421-D423 VanDerWaalsContact C-N 3.32Å; I421-D423 PolarHBondContact O-N 3.02Å; D423-R431 IonicContact OD1-CZ 3.64Å; D423-R431 IonicContact OD1-NE 3.4Å; D423-R431 IonicContact OD1-NH2 2.68Å; D423-R431 PolarHBondContact OD1-NH2 3.35Å
424M90.4Very high91.8Very high41 Ų4159.5 Ų59.520%0.20228%0.284CS..Hα-helixtrans-93.1-4.4174.4-67.2-176.9-76.300113.6K376 A379 M380 K420 I421 A422K376-M424 WeakPolarHBondContact CE-O 3.43Å; K376-M424 HydrophobicContact CG-CB 4.3Å; K376-M424 HydrophobicContact CG-CG 4.41Å; K376-M424 HydrophobicContact CG-SD 4.21Å; A379-M424 HydrophobicContact CB-CE 3.97Å; A379-M424 HydrophobicContact CB-SD 3.78Å; M380-M424 HydrophobicContact CB-CE 4.37Å; M380-M424 HydrophobicContact CG-CB 3.97Å; M380-M424 HydrophobicContact CG-CE 3.58Å; M380-M424 HydrophobicContact CG-SD 3.81Å; M380-M424 HydrophobicContact SD-CB 4.13Å; K420-M424 HydrophobicContact CB-CE 4.28Å; K420-M424 WeakPolarHBondContact O-CE 3.4Å; K420-M424 WeakPolarHBondContact O-CG 3.38Å; K420-M424 PolarHBondContact O-N 3.47Å; I421-M424 PolarHBondContact O-N 3.02Å; I421-M424 VanDerWaalsContact O-N 3.08Å; A422-M424 PolarHBondContact O-N 2.93Å
425C86.9Confident91.9Very high21 Ų2162.4 Ų62.414%0.14230%0.3CS..  trans-73.2138.6178.7-68.80000111.8I421 A422 R431I421-C425 PolarHBondContact O-N 3.33Å; I421-C425 PolarHBondContact O-SG 3.38Å; A422-C425 WeakPolarHBondContact O-CB 3.25Å; A422-C425 PolarHBondContact O-N 3.08Å; C425-R431 HydrophobicContact CB-CB 4.25Å
426E81.1Confident91.9Very high99 Ų9968.4 Ų68.446%0.46332%0.321SS..SBendtrans-86.4-27.9174.6-66.1-169.1-172.500112.8K376 P428K376-E426 IonicContact NZ-OE1 2.71Å; K376-E426 PolarHBondContact NZ-OE1 3.12Å; E426-P428 WeakPolarHBondContact O-CD 3.5Å
427D84.3Confident91.8Very high74 Ų7465 Ų6540%0.39630%0.304SS..  trans-81.5116.2177.1-171.1-23.2000110.6K429 E430 R431D427-K429 PolarHBondContact O-N 3.13Å; D427-K429 WeakPolarHBondContact OD1-CB 3.33Å; D427-K429 PolarHBondContact OD1-N 2.71Å; D427-E430 HydrophobicContact CB-CB 4.14Å; D427-E430 HydrophobicContact CB-CG 3.95Å; D427-E430 PolarHBondContact O-N 3.2Å; D427-R431 WeakPolarHBondContact O-CB 3.46Å; D427-R431 PolarHBondContact O-N 3.09Å; D427-R431 VanDerWaalsContact O-N 3.12Å
428P88.3Confident91.7Very high88 Ų8863.6 Ų63.657%0.57130%0.298SS*.Hα-helixtrans-58.9-34.6177.4-22.934.4000113.4E426 E432E426-P428 WeakPolarHBondContact O-CD 3.5Å; P428-E432 WeakPolarHBondContact O-CG 3.31Å; P428-E432 PolarHBondContact O-N 3.24Å
429K89.9Confident91.7Very high138 Ų13865.2 Ų65.260%0.631%0.314SS*.Hα-helixtrans-69.4-47.2-177.7-174.3-175.9174-171.50111D427 R431 E432 E433D427-K429 PolarHBondContact O-N 3.13Å; D427-K429 WeakPolarHBondContact OD1-CB 3.33Å; D427-K429 PolarHBondContact OD1-N 2.71Å; K429-R431 VanDerWaalsContact C-N 3.3Å; K429-R431 PolarHBondContact O-N 3.5Å; K429-E432 PolarHBondContact O-N 3.25Å; K429-E433 VanDerWaalsContact CE-OE1 3.3Å; K429-E433 WeakPolarHBondContact CE-OE1 3.48Å; K429-E433 WeakPolarHBondContact O-CG 3.37Å; K429-E433 PolarHBondContact O-N 3.19Å
430E89.1Confident91.6Very high35 Ų3564.7 Ų64.716%0.16432%0.316CS..Hα-helixtrans-62.2-41.6177.2-64.1-165.4146.800111.4D427 E432 E433 I434 N486D427-E430 HydrophobicContact CB-CB 4.14Å; D427-E430 HydrophobicContact CB-CG 3.95Å; D427-E430 PolarHBondContact O-N 3.2Å; E430-E432 PolarHBondContact O-N 3.37Å; E430-E433 PolarHBondContact O-N 3.16Å; E430-I434 WeakPolarHBondContact O-CG1 3.38Å; E430-I434 PolarHBondContact O-N 3.36Å; E430-N486 PolarHBondContact OE1-ND2 3.5Å
431R92.2Very high91.6Very high107 Ų10760 Ų6040%0.40430%0.296SS..Hα-helixtrans-56.4-51.6174.8176.7175.7-172.5-1513.7111.6A422 D423 C425 D427 K429 E433 I434 L435A422-R431 HydrophobicContact CB-CG 4.25Å; A422-R431 WeakPolarHBondContact O-CD 3.32Å; A422-R431 WeakPolarHBondContact O-CG 3.46Å; D423-R431 IonicContact OD1-CZ 3.64Å; D423-R431 IonicContact OD1-NE 3.4Å; D423-R431 IonicContact OD1-NH2 2.68Å; D423-R431 PolarHBondContact OD1-NH2 3.35Å; C425-R431 HydrophobicContact CB-CB 4.25Å; D427-R431 WeakPolarHBondContact O-CB 3.46Å; D427-R431 PolarHBondContact O-N 3.09Å; D427-R431 VanDerWaalsContact O-N 3.12Å; K429-R431 VanDerWaalsContact C-N 3.3Å; K429-R431 PolarHBondContact O-N 3.5Å; R431-E433 VanDerWaalsContact C-N 3.34Å; R431-E433 PolarHBondContact O-N 2.94Å; R431-I434 PolarHBondContact O-N 2.98Å; R431-L435 HydrophobicContact CG-CD1 3.97Å; R431-L435 VanDerWaalsContact O-CG 3.3Å; R431-L435 WeakPolarHBondContact O-CG 3.45Å; R431-L435 PolarHBondContact O-N 2.94Å
432E94.1Very high91.7Very high140 Ų14061.6 Ų61.665%0.65431%0.309SS*.Hα-helixtrans-63-39.9-179.6-76.1179.4-173.800112.2P428 K429 E430 L435 R436P428-E432 WeakPolarHBondContact O-CG 3.31Å; P428-E432 PolarHBondContact O-N 3.24Å; K429-E432 PolarHBondContact O-N 3.25Å; E430-E432 PolarHBondContact O-N 3.37Å; E432-L435 PolarHBondContact O-N 2.77Å; E432-R436 VanDerWaalsContact O-CB 3.31Å; E432-R436 WeakPolarHBondContact O-CB 3.35Å; E432-R436 PolarHBondContact O-N 3.04Å
433E92.4Very high91.7Very high73 Ų7364.8 Ų64.834%0.34134%0.336SS..Hα-helixtrans-64.1-40.3177.5-75.7-176.9-166.500113.1K429 E430 R431 S437K429-E433 VanDerWaalsContact CE-OE1 3.3Å; K429-E433 WeakPolarHBondContact CE-OE1 3.48Å; K429-E433 WeakPolarHBondContact O-CG 3.37Å; K429-E433 PolarHBondContact O-N 3.19Å; E430-E433 PolarHBondContact O-N 3.16Å; R431-E433 VanDerWaalsContact C-N 3.34Å; R431-E433 PolarHBondContact O-N 2.94Å; E433-S437 PolarHBondContact O-N 3.15Å; E433-S437 VanDerWaalsContact O-N 3.13Å; E433-S437 PolarHBondContact O-OG 3.44Å
434I94.4Very high91.8Very high3 Ų361.3 Ų61.32%0.01532%0.317CS..Hα-helixtrans-67.2-47.3176.1-67.1167.9000110.2A418 A422 E430 R431 R436 S437 A438 L476 K479 T480 A483A418-I434 HydrophobicContact CB-CG2 4.43Å; A422-I434 HydrophobicContact CB-CB 4.09Å; A422-I434 HydrophobicContact CB-CG2 3.85Å; E430-I434 WeakPolarHBondContact O-CG1 3.38Å; E430-I434 PolarHBondContact O-N 3.36Å; R431-I434 PolarHBondContact O-N 2.98Å; I434-R436 VanDerWaalsContact C-N 3.34Å; I434-R436 PolarHBondContact O-N 3.44Å; I434-S437 PolarHBondContact O-N 3.04Å; I434-A438 WeakPolarHBondContact O-CB 3.13Å; I434-A438 PolarHBondContact O-N 3.47Å; I434-L476 HydrophobicContact CG2-CD1 4.07Å; I434-K479 HydrophobicContact CG1-CB 4.05Å; I434-T480 HydrophobicContact CG2-CG2 4.14Å; I434-A483 HydrophobicContact CD1-CB 3.7Å
435L95.4Very high91.9Very high63 Ų6359.6 Ų59.633%0.3331%0.309SS..Hα-helixtrans-61.9-41.3-179.6-70.6176.4000112R419 A422 R431 E432 A438 G439R419-L435 HydrophobicContact CG-CD2 4.01Å; A422-L435 HydrophobicContact CB-CD2 3.94Å; A422-L435 HydrophobicContact CB-CG 3.98Å; R431-L435 HydrophobicContact CG-CD1 3.97Å; R431-L435 VanDerWaalsContact O-CG 3.3Å; R431-L435 WeakPolarHBondContact O-CG 3.45Å; R431-L435 PolarHBondContact O-N 2.94Å; E432-L435 PolarHBondContact O-N 2.77Å; L435-A438 PolarHBondContact O-N 3.36Å; L435-G439 PolarHBondContact O-N 3.47Å
436R94.8Very high92.2Very high132 Ų13261.2 Ų61.250%0.49832%0.323SS..Hα-helixtrans-61.3-51.1175.2-176.1-178.562.582.3-5.4111.4E432 I434 A438 G439 E440E432-R436 VanDerWaalsContact O-CB 3.31Å; E432-R436 WeakPolarHBondContact O-CB 3.35Å; E432-R436 PolarHBondContact O-N 3.04Å; I434-R436 VanDerWaalsContact C-N 3.34Å; I434-R436 PolarHBondContact O-N 3.44Å; R436-A438 VanDerWaalsContact C-N 3.31Å; R436-A438 PolarHBondContact O-N 3.36Å; R436-G439 PolarHBondContact O-N 2.97Å; R436-G439 VanDerWaalsContact O-N 3.12Å; R436-E440 WeakPolarHBondContact CG-OE1 3.21Å; R436-E440 IonicContact CZ-OE1 3.05Å; R436-E440 IonicContact NH1-OE1 2.7Å; R436-E440 PolarHBondContact NH1-OE1 3.49Å; R436-E440 IonicContact NH1-OE2 3.87Å; R436-E440 PolarHBondContact NH1-OE2 3.26Å; R436-E440 PolarHBondContact O-N 3.02Å
437S93.8Very high92.7Very high13 Ų1361.6 Ų61.69%0.09132%0.323CS..Hα-helixtrans-61.8-38.5178.8-750000112.5E433 I434 G439 E440 L441 K479E433-S437 PolarHBondContact O-N 3.15Å; E433-S437 VanDerWaalsContact O-N 3.13Å; E433-S437 PolarHBondContact O-OG 3.44Å; I434-S437 PolarHBondContact O-N 3.04Å; S437-G439 VanDerWaalsContact C-N 3.33Å; S437-G439 PolarHBondContact O-N 2.75Å; S437-E440 PolarHBondContact O-N 3.18Å; S437-L441 WeakPolarHBondContact O-CB 3.46Å; S437-L441 PolarHBondContact O-N 2.98Å; S437-K479 PolarHBondContact OG-NZ 3.13Å
438A94.6Very high93.1Very high0 Ų058.1 Ų58.10%031%0.305CS..Hα-helixtrans-65.6-35.5174.800000112.6L415 I434 L435 R436 A442 L476L415-A438 HydrophobicContact CD2-CB 4.17Å; I434-A438 WeakPolarHBondContact O-CB 3.13Å; I434-A438 PolarHBondContact O-N 3.47Å; L435-A438 PolarHBondContact O-N 3.36Å; R436-A438 VanDerWaalsContact C-N 3.31Å; R436-A438 PolarHBondContact O-N 3.36Å; A438-A442 WeakPolarHBondContact O-CB 3.1Å; A438-A442 PolarHBondContact O-N 3.03Å; A438-L476 HydrophobicContact CB-CD1 4.47Å
439G94.8Very high93.2Very high34 Ų3454.7 Ų54.735%0.35128%0.283SS..Hα-helixtrans-66.6-47174.800000113.1L435 R436 S437 L441 A442 A443L435-G439 PolarHBondContact O-N 3.47Å; R436-G439 PolarHBondContact O-N 2.97Å; R436-G439 VanDerWaalsContact O-N 3.12Å; S437-G439 VanDerWaalsContact C-N 3.33Å; S437-G439 PolarHBondContact O-N 2.75Å; G439-L441 PolarHBondContact O-N 3.07Å; G439-A442 PolarHBondContact O-N 2.93Å; G439-A443 PolarHBondContact O-N 3.01Å; G439-A443 VanDerWaalsContact O-N 3.12Å
440E94Very high93.2Very high93 Ų9351.2 Ų51.244%0.43527%0.269SS..Hα-helixtrans-60.1-44.7176.5-71.4168-17000111.5R436 S437 A443 M444R436-E440 WeakPolarHBondContact CG-OE1 3.21Å; R436-E440 IonicContact CZ-OE1 3.05Å; R436-E440 IonicContact NH1-OE1 2.7Å; R436-E440 PolarHBondContact NH1-OE1 3.49Å; R436-E440 IonicContact NH1-OE2 3.87Å; R436-E440 PolarHBondContact NH1-OE2 3.26Å; R436-E440 PolarHBondContact O-N 3.02Å; S437-E440 PolarHBondContact O-N 3.18Å; E440-A443 PolarHBondContact O-N 2.8Å; E440-M444 WeakPolarHBondContact O-CG 3.27Å; E440-M444 PolarHBondContact O-N 3.34Å
441L94.5Very high93.3Very high2 Ų250.2 Ų50.21%0.0126%0.264CS..Hα-helixtrans-61.2-42.9175.3-89.4164000113L415 S437 G439 A443 M444 T445 I469 A472 L473 L476L415-L441 HydrophobicContact CD1-CB 4.45Å; L415-L441 HydrophobicContact CD2-CB 3.86Å; L415-L441 HydrophobicContact CD2-CD1 4.04Å; S437-L441 WeakPolarHBondContact O-CB 3.46Å; S437-L441 PolarHBondContact O-N 2.98Å; G439-L441 PolarHBondContact O-N 3.07Å; L441-A443 VanDerWaalsContact C-N 3.31Å; L441-A443 PolarHBondContact O-N 3.35Å; L441-M444 HydrophobicContact CD2-CE 4.29Å; L441-M444 HydrophobicContact CG-CE 4.44Å; L441-M444 PolarHBondContact O-N 3.07Å; L441-T445 VanDerWaalsContact O-CB 3.31Å; L441-T445 WeakPolarHBondContact O-CB 3.41Å; L441-T445 PolarHBondContact O-N 2.96Å; L441-T445 PolarHBondContact O-OG1 3.39Å; L441-I469 HydrophobicContact CD2-CG2 4.01Å; L441-A472 HydrophobicContact CD1-CB 4.33Å; L441-A472 HydrophobicContact CD2-CB 3.47Å; L441-A472 VanDerWaalsContact CD2-CB 3.47Å; L441-A472 HydrophobicContact CG-CB 3.8Å; L441-L473 HydrophobicContact CD1-CD2 4.24Å; L441-L473 HydrophobicContact CD2-CD2 4.11Å; L441-L473 HydrophobicContact CD2-CG 3.97Å; L441-L476 HydrophobicContact CD1-CB 3.74Å; L441-L476 HydrophobicContact CD1-CD2 3.61Å; L441-L476 HydrophobicContact CD1-CG 4.25Å
442A94.3Very high93.1Very high34 Ų3446.7 Ų46.728%0.28125%0.251SS..Hα-helixtrans-59.9-43.6177.400000111.4L415 A438 G439 T445 A446L415-A442 HydrophobicContact CD1-CB 3.85Å; A438-A442 WeakPolarHBondContact O-CB 3.1Å; A438-A442 PolarHBondContact O-N 3.03Å; G439-A442 PolarHBondContact O-N 2.93Å; A442-T445 PolarHBondContact O-N 3.37Å; A442-A446 WeakPolarHBondContact O-CB 3.38Å; A442-A446 PolarHBondContact O-N 3.33Å
443A94.1Very high92.9Very high67 Ų6749.3 Ų49.355%0.55426%0.255SS*.Hα-helixtrans-65.2-46.2178.700000112.2G439 E440 L441 T445 A446 K447G439-A443 PolarHBondContact O-N 3.01Å; G439-A443 VanDerWaalsContact O-N 3.12Å; E440-A443 PolarHBondContact O-N 2.8Å; L441-A443 VanDerWaalsContact C-N 3.31Å; L441-A443 PolarHBondContact O-N 3.35Å; A443-T445 PolarHBondContact O-N 3.4Å; A443-A446 PolarHBondContact O-N 3.27Å; A443-K447 PolarHBondContact O-N 3.2Å
444M94.6Very high92.8Very high31 Ų3150.4 Ų50.415%0.15326%0.26CS..Hα-helixtrans-62.6-42.7176.8-70.2-172.4-71.700111.8E440 L441 K447 L448 L465 Q468 I469 A472E440-M444 WeakPolarHBondContact O-CG 3.27Å; E440-M444 PolarHBondContact O-N 3.34Å; L441-M444 HydrophobicContact CD2-CE 4.29Å; L441-M444 HydrophobicContact CG-CE 4.44Å; L441-M444 PolarHBondContact O-N 3.07Å; M444-K447 PolarHBondContact O-N 3.32Å; M444-L448 PolarHBondContact O-N 3.02Å; M444-L465 HydrophobicContact CB-CD1 4.08Å; M444-L465 HydrophobicContact CG-CD1 4.18Å; M444-Q468 VanDerWaalsContact SD-CD 3.6Å; M444-Q468 HydrophobicContact SD-CG 3.8Å; M444-I469 HydrophobicContact CB-CD1 4.14Å; M444-I469 HydrophobicContact CB-CG1 3.66Å; M444-A472 HydrophobicContact CE-CB 3.82Å
445T92.6Very high92.4Very high5 Ų553.5 Ų53.53%0.03129%0.293CS..Hα-helixtrans-63.7-44.9179.2-54.30000111.2W397 E408 I411 L441 A442 A443 K447 L448 S449W397-T445 HydrophobicContact CH2-CG2 4.3Å; W397-T445 HydrophobicContact CZ3-CG2 4.34Å; E408-T445 HydrophobicContact CG-CG2 4.26Å; I411-T445 HydrophobicContact CB-CG2 4.24Å; I411-T445 HydrophobicContact CD1-CG2 3.95Å; I411-T445 HydrophobicContact CG2-CG2 3.93Å; L441-T445 VanDerWaalsContact O-CB 3.31Å; L441-T445 WeakPolarHBondContact O-CB 3.41Å; L441-T445 PolarHBondContact O-N 2.96Å; L441-T445 PolarHBondContact O-OG1 3.39Å; A442-T445 PolarHBondContact O-N 3.37Å; A443-T445 PolarHBondContact O-N 3.4Å; T445-K447 VanDerWaalsContact C-N 3.32Å; T445-K447 PolarHBondContact O-N 3.39Å; T445-L448 PolarHBondContact O-N 3.08Å; T445-S449 PolarHBondContact O-N 2.88Å; T445-S449 PolarHBondContact O-OG 3.32Å
446A92.4Very high92.1Very high54 Ų5455.1 Ų55.145%0.44630%0.297SS..Hα-helixtrans-60.9-40.9175.600000112A442 A443 S449 E450A442-A446 WeakPolarHBondContact O-CB 3.38Å; A442-A446 PolarHBondContact O-N 3.33Å; A443-A446 PolarHBondContact O-N 3.27Å; A446-S449 PolarHBondContact O-N 2.96Å; A446-E450 WeakPolarHBondContact O-CB 3.34Å; A446-E450 PolarHBondContact O-N 2.81Å
447K93Very high91.5Very high107 Ų10749.1 Ų49.147%0.46528%0.277SS..Hα-helixtrans-62.6-42.2175-174.6-177.6177.6-165.60111.7A443 M444 T445 E450 L451 E461 L465A443-K447 PolarHBondContact O-N 3.2Å; M444-K447 PolarHBondContact O-N 3.32Å; T445-K447 VanDerWaalsContact C-N 3.32Å; T445-K447 PolarHBondContact O-N 3.39Å; K447-E450 PolarHBondContact O-N 2.9Å; K447-L451 WeakPolarHBondContact O-CG 3.33Å; K447-L451 PolarHBondContact O-N 3.5Å; K447-E461 WeakPolarHBondContact CE-OE1 3.28Å; K447-E461 IonicContact NZ-OE1 3.12Å; K447-E461 PolarHBondContact NZ-OE1 2.94Å; K447-L465 HydrophobicContact CB-CD2 3.97Å; K447-L465 HydrophobicContact CD-CD2 3.98Å; K447-L465 HydrophobicContact CG-CD2 3.84Å
448L91.5Very high91.2Very high1 Ų152.3 Ų52.31%0.00529%0.293CS..Hα-helixtrans-64.8-44.8177.2-179.762.8000111.8W397 L398 M444 T445 E450 L451 R452 A462 L465 A466 I469W397-L448 HydrophobicContact CH2-CD2 4.15Å; W397-L448 HydrophobicContact CZ3-CD2 3.99Å; L398-L448 HydrophobicContact CD2-CD2 3.71Å; M444-L448 PolarHBondContact O-N 3.02Å; T445-L448 PolarHBondContact O-N 3.08Å; L448-E450 VanDerWaalsContact C-N 3.29Å; L448-E450 PolarHBondContact O-N 3.4Å; L448-L451 WeakPolarHBondContact O-CB 3.29Å; L448-L451 PolarHBondContact O-N 3.23Å; L448-R452 WeakPolarHBondContact O-CG 3.38Å; L448-R452 PolarHBondContact O-N 2.71Å; L448-A462 HydrophobicContact CD1-CB 3.97Å; L448-A462 WeakPolarHBondContact CD1-O 3.44Å; L448-L465 HydrophobicContact CB-CD2 3.81Å; L448-L465 HydrophobicContact CB-CG 4.26Å; L448-L465 HydrophobicContact CD1-CD2 4.46Å; L448-A466 HydrophobicContact CD1-CB 4.39Å; L448-A466 HydrophobicContact CD2-CB 3.84Å; L448-I469 HydrophobicContact CB-CD1 3.8Å; L448-I469 HydrophobicContact CD2-CD1 3.65Å; L448-I469 HydrophobicContact CG-CD1 4.35Å
449S90.1Very high90.9Very high17 Ų1754.5 Ų54.512%0.11931%0.306CS..Hα-helixtrans-60.2-39.9176.3-72.80000112.1E408 T445 A446 R452 R453E408-S449 WeakPolarHBondContact OE2-CB 3.41Å; E408-S449 PolarHBondContact OE2-OG 3.39Å; T445-S449 PolarHBondContact O-N 2.88Å; T445-S449 PolarHBondContact O-OG 3.32Å; A446-S449 PolarHBondContact O-N 2.96Å; S449-R452 PolarHBondContact O-N 3.47Å; S449-R453 WeakPolarHBondContact O-CB 3.18Å; S449-R453 PolarHBondContact O-N 3.43Å
450E90.9Very high90.4Very high65 Ų6558.2 Ų58.230%0.30432%0.324SS..Hα-helixtrans-64.1-43175.6-178.255.8-158.200112A446 K447 L448 R452 R453 Q454A446-E450 WeakPolarHBondContact O-CB 3.34Å; A446-E450 PolarHBondContact O-N 2.81Å; K447-E450 PolarHBondContact O-N 2.9Å; L448-E450 VanDerWaalsContact C-N 3.29Å; L448-E450 PolarHBondContact O-N 3.4Å; E450-R452 VanDerWaalsContact C-N 3.32Å; E450-R452 PolarHBondContact O-N 3.41Å; E450-R453 PolarHBondContact O-N 3.14Å; E450-R453 IonicContact OE1-CZ 3.19Å; E450-R453 IonicContact OE1-NE 2.92Å; E450-R453 IonicContact OE1-NH2 2.72Å; E450-R453 PolarHBondContact OE1-NH2 3.06Å; E450-R453 IonicContact OE2-CZ 3.35Å; E450-R453 IonicContact OE2-NE 2.85Å; E450-R453 PolarHBondContact OE2-NE 3.24Å; E450-R453 IonicContact OE2-NH2 3.1Å; E450-R453 PolarHBondContact OE2-NH2 3.13Å; E450-Q454 VanDerWaalsContact O-CG 3.3Å; E450-Q454 WeakPolarHBondContact O-CG 3.31Å; E450-Q454 PolarHBondContact O-N 3.4Å; E450-Q454 PolarHBondContact OE1-NE2 3.37Å
451L89.8Confident90.1Very high13 Ų1358.6 Ų58.67%0.06833%0.326CS..Hα-helixtrans-60.2-42.2174-71.9171.7000111.6K447 L448 Q454 G455 K456 E461 A462 L465K447-L451 WeakPolarHBondContact O-CG 3.33Å; K447-L451 PolarHBondContact O-N 3.5Å; L448-L451 WeakPolarHBondContact O-CB 3.29Å; L448-L451 PolarHBondContact O-N 3.23Å; L451-Q454 PolarHBondContact O-N 2.84Å; L451-G455 PolarHBondContact O-N 2.99Å; L451-K456 HydrophobicContact CB-CB 4.43Å; L451-K456 HydrophobicContact CD2-CB 4.28Å; L451-K456 HydrophobicContact CD2-CD 4.17Å; L451-K456 CarbonylContact O-C 3.48Å; L451-K456 WeakPolarHBondContact O-CA 3.28Å; L451-K456 WeakPolarHBondContact O-CB 3.34Å; L451-K456 PolarHBondContact O-N 3.15Å; L451-E461 HydrophobicContact CD1-CG 4.26Å; L451-A462 HydrophobicContact CB-CB 4.35Å; L451-A462 HydrophobicContact CD1-CB 4.16Å; L451-L465 HydrophobicContact CD1-CD2 4.17Å
452R89.9Confident89.8Confident34 Ų3458.6 Ų58.613%0.12833%0.326CS..Hα-helixtrans-63.6-43.8175.8-71.1-179.5-179.9-166-1.5111.8W397 L398 D400 L448 S449 E450 Q454 G455W397-R452 VanDerWaalsContact CD2-NH1 3.31Å; W397-R452 VanDerWaalsContact CZ2-NH1 3.35Å; W397-R452 VanDerWaalsContact NE1-NH1 3.13Å; W397-R452 PolarHBondContact O-NH1 3.41Å; W397-R452 PolarHBondContact O-NH2 3.33Å; L398-R452 PolarHBondContact O-NH2 3.1Å; D400-R452 PolarHBondContact O-NH1 3.05Å; D400-R452 PolarHBondContact O-NH2 3.22Å; L448-R452 WeakPolarHBondContact O-CG 3.38Å; L448-R452 PolarHBondContact O-N 2.71Å; S449-R452 PolarHBondContact O-N 3.47Å; E450-R452 VanDerWaalsContact C-N 3.32Å; E450-R452 PolarHBondContact O-N 3.41Å; R452-Q454 VanDerWaalsContact C-N 3.26Å; R452-Q454 PolarHBondContact O-N 3.45Å; R452-G455 PolarHBondContact O-N 2.89Å
453R88.2Confident89.3Confident194 Ų19463.8 Ų63.873%0.73234%0.338SS*.Hα-helixtrans-61.8-33176.6-169.1174.970.81132.9112.8S449 E450 G455S449-R453 WeakPolarHBondContact O-CB 3.18Å; S449-R453 PolarHBondContact O-N 3.43Å; E450-R453 PolarHBondContact O-N 3.14Å; E450-R453 IonicContact OE1-CZ 3.19Å; E450-R453 IonicContact OE1-NE 2.92Å; E450-R453 IonicContact OE1-NH2 2.72Å; E450-R453 PolarHBondContact OE1-NH2 3.06Å; E450-R453 IonicContact OE2-CZ 3.35Å; E450-R453 IonicContact OE2-NE 2.85Å; E450-R453 PolarHBondContact OE2-NE 3.24Å; E450-R453 IonicContact OE2-NH2 3.1Å; E450-R453 PolarHBondContact OE2-NH2 3.13Å; R453-G455 PolarHBondContact O-N 3.38Å
454Q90.3Very high88.9Confident96 Ų9663.6 Ų63.645%0.44934%0.336SS..THydrogen-bonded Turntrans-78.14.9173.7-68.3177.418.500113.8E450 L451 R452 K456E450-Q454 VanDerWaalsContact O-CG 3.3Å; E450-Q454 WeakPolarHBondContact O-CG 3.31Å; E450-Q454 PolarHBondContact O-N 3.4Å; E450-Q454 PolarHBondContact OE1-NE2 3.37Å; L451-Q454 PolarHBondContact O-N 2.84Å; R452-Q454 VanDerWaalsContact C-N 3.26Å; R452-Q454 PolarHBondContact O-N 3.45Å; Q454-K456 HydrophobicContact CB-CD 4.37Å; Q454-K456 HydrophobicContact CB-CG 4.34Å; Q454-K456 PolarHBondContact O-N 3.5Å; Q454-K456 VanDerWaalsContact OE1-NZ 3.15Å
455G86.9Confident88.7Confident68 Ų6862.7 Ų62.770%0.70133%0.332SS*.THydrogen-bonded Turntrans73.48.8-175.400000114.1L451 R452 R453 G457L451-G455 PolarHBondContact O-N 2.99Å; R452-G455 PolarHBondContact O-N 2.89Å; R453-G455 PolarHBondContact O-N 3.38Å; G455-G457 VanDerWaalsContact C-N 3.34Å
456K88.8Confident88.5Confident98 Ų9862.9 Ų62.943%0.42633%0.334SS..  trans-94.917.8-179.4-62.9176.9-176163.10113L451 Q454 D458 T459 A462L451-K456 HydrophobicContact CB-CB 4.43Å; L451-K456 HydrophobicContact CD2-CB 4.28Å; L451-K456 HydrophobicContact CD2-CD 4.17Å; L451-K456 CarbonylContact O-C 3.48Å; L451-K456 WeakPolarHBondContact O-CA 3.28Å; L451-K456 WeakPolarHBondContact O-CB 3.34Å; L451-K456 PolarHBondContact O-N 3.15Å; Q454-K456 HydrophobicContact CB-CD 4.37Å; Q454-K456 HydrophobicContact CB-CG 4.34Å; Q454-K456 PolarHBondContact O-N 3.5Å; Q454-K456 VanDerWaalsContact OE1-NZ 3.15Å; K456-D458 PolarHBondContact O-N 3.31Å; K456-T459 HydrophobicContact CB-CG2 3.77Å; K456-T459 HydrophobicContact CG-CG2 4.27Å; K456-T459 WeakPolarHBondContact O-CB 3.1Å; K456-T459 WeakPolarHBondContact O-CG2 3.14Å; K456-T459 PolarHBondContact O-N 3.29Å; K456-T459 VanDerWaalsContact O-N 3.13Å; K456-T459 PolarHBondContact O-OG1 3.2Å; K456-A462 VanDerWaalsContact O-CB 3.25Å; K456-A462 WeakPolarHBondContact O-CB 3.46Å
457G83.2Confident88.2Confident6 Ų667.9 Ų67.96%0.06235%0.346CS..THydrogen-bonded Turntrans-59.1-29.1-177.200000114.2G455 A462G455-G457 VanDerWaalsContact C-N 3.34Å; G457-A462 VanDerWaalsContact O-CB 3.31Å; G457-A462 WeakPolarHBondContact O-CB 3.2Å
458D86.6Confident88Confident80 Ų8068 Ų6843%0.42835%0.348SS..THydrogen-bonded Turntrans-94.74.2-179.1-159.231.4000114.5P401 K456 R463P401-D458 HydrophobicContact CB-CB 4.29Å; K456-D458 PolarHBondContact O-N 3.31Å; D458-R463 IonicContact OD1-CZ 2.93Å; D458-R463 IonicContact OD1-NE 2.8Å; D458-R463 PolarHBondContact OD1-NE 3.28Å; D458-R463 IonicContact OD1-NH2 3.92Å; D458-R463 PolarHBondContact OD1-NH2 3.01Å; D458-R463 IonicContact OD2-NH2 2.92Å
459T87.8Confident88Confident45 Ų4568 Ų6828%0.27635%0.348SS..SBendtrans-70.4153.9-179.559.80000111.9K456 E461 A462 R463K456-T459 HydrophobicContact CB-CG2 3.77Å; K456-T459 HydrophobicContact CG-CG2 4.27Å; K456-T459 WeakPolarHBondContact O-CB 3.1Å; K456-T459 WeakPolarHBondContact O-CG2 3.14Å; K456-T459 PolarHBondContact O-N 3.29Å; K456-T459 VanDerWaalsContact O-N 3.13Å; K456-T459 PolarHBondContact O-OG1 3.2Å; T459-E461 PolarHBondContact O-N 2.97Å; T459-A462 PolarHBondContact O-N 3Å; T459-A462 VanDerWaalsContact O-N 3.09Å; T459-A462 WeakPolarHBondContact OG1-CB 3.26Å; T459-A462 PolarHBondContact OG1-N 3.22Å; T459-R463 PolarHBondContact O-N 3.43Å
460P84.9Confident87.8Confident112 Ų11268.5 Ų68.573%0.72735%0.354SS*.Hα-helixtrans-54.1-35.3173.1-27.135000113.3A464P460-A464 VanDerWaalsContact O-CB 3.24Å; P460-A464 WeakPolarHBondContact O-CB 3.46Å; P460-A464 PolarHBondContact O-N 3.3Å
461E88.5Confident87.5Confident102 Ų10269 Ų6948%0.47736%0.361SS..Hα-helixtrans-63.7-48.9175.1-174-176.9-177.800111.6K447 L451 T459 A464 L465K447-E461 WeakPolarHBondContact CE-OE1 3.28Å; K447-E461 IonicContact NZ-OE1 3.12Å; K447-E461 PolarHBondContact NZ-OE1 2.94Å; L451-E461 HydrophobicContact CD1-CG 4.26Å; T459-E461 PolarHBondContact O-N 2.97Å; E461-A464 PolarHBondContact O-N 3.06Å; E461-L465 WeakPolarHBondContact O-CB 3.38Å; E461-L465 PolarHBondContact O-N 3.41Å
462A86.4Confident87.4Confident1 Ų169.5 Ų69.51%0.00837%0.367CS..Hα-helixtrans-64.9-41.8179.700000112.2L448 L451 K456 G457 T459 L465 A466L448-A462 HydrophobicContact CD1-CB 3.97Å; L448-A462 WeakPolarHBondContact CD1-O 3.44Å; L451-A462 HydrophobicContact CB-CB 4.35Å; L451-A462 HydrophobicContact CD1-CB 4.16Å; K456-A462 VanDerWaalsContact O-CB 3.25Å; K456-A462 WeakPolarHBondContact O-CB 3.46Å; G457-A462 VanDerWaalsContact O-CB 3.31Å; G457-A462 WeakPolarHBondContact O-CB 3.2Å; T459-A462 PolarHBondContact O-N 3Å; T459-A462 VanDerWaalsContact O-N 3.09Å; T459-A462 WeakPolarHBondContact OG1-CB 3.26Å; T459-A462 PolarHBondContact OG1-N 3.22Å; A462-L465 PolarHBondContact O-N 3.4Å; A462-A466 WeakPolarHBondContact O-CB 3.46Å; A462-A466 PolarHBondContact O-N 3.39Å
463R84.5Confident87.4Confident144 Ų14468 Ų6854%0.54336%0.361SS..Hα-helixtrans-65.1-40.9176.4-71179.6171.8-132.98.1112.2D458 T459 A466 K467D458-R463 IonicContact OD1-CZ 2.93Å; D458-R463 IonicContact OD1-NE 2.8Å; D458-R463 PolarHBondContact OD1-NE 3.28Å; D458-R463 IonicContact OD1-NH2 3.92Å; D458-R463 PolarHBondContact OD1-NH2 3.01Å; D458-R463 IonicContact OD2-NH2 2.92Å; T459-R463 PolarHBondContact O-N 3.43Å; R463-A466 PolarHBondContact O-N 2.95Å; R463-K467 PolarHBondContact O-N 3.37Å; R463-K467 VanDerWaalsContact O-N 3.14Å
464A86.1Confident87.3Confident62 Ų6262.2 Ų62.251%0.51234%0.343SS..Hα-helixtrans-65-43.5175.500000111.7P460 E461 K467 Q468P460-A464 VanDerWaalsContact O-CB 3.24Å; P460-A464 WeakPolarHBondContact O-CB 3.46Å; P460-A464 PolarHBondContact O-N 3.3Å; E461-A464 PolarHBondContact O-N 3.06Å; A464-K467 PolarHBondContact O-N 2.97Å; A464-Q468 PolarHBondContact O-N 2.93Å
465L90Very high86.9Confident13 Ų1360.1 Ų60.17%0.06834%0.335CS..Hα-helixtrans-63.9-41176.8-17462.7000111.8M444 K447 L448 L451 E461 A462 K467 Q468 I469M444-L465 HydrophobicContact CB-CD1 4.08Å; M444-L465 HydrophobicContact CG-CD1 4.18Å; K447-L465 HydrophobicContact CB-CD2 3.97Å; K447-L465 HydrophobicContact CD-CD2 3.98Å; K447-L465 HydrophobicContact CG-CD2 3.84Å; L448-L465 HydrophobicContact CB-CD2 3.81Å; L448-L465 HydrophobicContact CB-CG 4.26Å; L448-L465 HydrophobicContact CD1-CD2 4.46Å; L451-L465 HydrophobicContact CD1-CD2 4.17Å; E461-L465 WeakPolarHBondContact O-CB 3.38Å; E461-L465 PolarHBondContact O-N 3.41Å; A462-L465 PolarHBondContact O-N 3.4Å; L465-K467 VanDerWaalsContact C-N 3.33Å; L465-K467 PolarHBondContact O-N 3.1Å; L465-Q468 WeakPolarHBondContact O-CB 3.41Å; L465-Q468 PolarHBondContact O-N 2.94Å; L465-I469 HydrophobicContact CG-CD1 4.13Å; L465-I469 VanDerWaalsContact O-CG1 3.3Å; L465-I469 WeakPolarHBondContact O-CG1 3.26Å; L465-I469 PolarHBondContact O-N 2.85Å
466A88.5Confident87.1Confident9 Ų956.9 Ų56.97%0.07430%0.301CS..Hα-helixtrans-60.1-41.5174.900000112.2L398 L448 A462 R463 I469 A470L398-A466 HydrophobicContact CD2-CB 4.22Å; L448-A466 HydrophobicContact CD1-CB 4.39Å; L448-A466 HydrophobicContact CD2-CB 3.84Å; A462-A466 WeakPolarHBondContact O-CB 3.46Å; A462-A466 PolarHBondContact O-N 3.39Å; R463-A466 PolarHBondContact O-N 2.95Å; A466-I469 PolarHBondContact O-N 3.49Å; A466-A470 PolarHBondContact O-N 3.17Å
467K85.8Confident87.1Confident158 Ų15854 Ų5469%0.68729%0.29SS*.Hα-helixtrans-64.8-39.4174.3-173.7179178.6-178.50112.4R463 A464 L465 A470 T471R463-K467 PolarHBondContact O-N 3.37Å; R463-K467 VanDerWaalsContact O-N 3.14Å; A464-K467 PolarHBondContact O-N 2.97Å; L465-K467 VanDerWaalsContact C-N 3.33Å; L465-K467 PolarHBondContact O-N 3.1Å; K467-A470 PolarHBondContact O-N 2.91Å; K467-T471 PolarHBondContact O-N 3.33Å; K467-T471 VanDerWaalsContact O-N 3.11Å; K467-T471 PolarHBondContact O-OG1 3.13Å
468Q89.2Confident87.2Confident110 Ų11057 Ų5751%0.51431%0.309SS..Hα-helixtrans-64.4-43176.1-169.1178.88.200111.4M444 A464 L465 T471 A472M444-Q468 VanDerWaalsContact SD-CD 3.6Å; M444-Q468 HydrophobicContact SD-CG 3.8Å; A464-Q468 PolarHBondContact O-N 2.93Å; L465-Q468 WeakPolarHBondContact O-CB 3.41Å; L465-Q468 PolarHBondContact O-N 2.94Å; Q468-T471 PolarHBondContact O-N 3.45Å; Q468-A472 WeakPolarHBondContact O-CB 3.3Å; Q468-A472 PolarHBondContact O-N 3.38Å
469I91.6Very high87.2Confident0 Ų055.7 Ų55.70%030%0.3CS..Hα-helixtrans-62.3-44.5174.9-65.6159.7000110.6L398 I411 L441 M444 L448 L465 A466 T471 A472 L473L398-I469 HydrophobicContact CD1-CB 4.38Å; L398-I469 HydrophobicContact CD1-CG2 3.9Å; L398-I469 HydrophobicContact CD2-CB 3.99Å; L398-I469 HydrophobicContact CD2-CD1 4.26Å; L398-I469 HydrophobicContact CD2-CG2 3.81Å; I411-I469 HydrophobicContact CD1-CG2 4.42Å; L441-I469 HydrophobicContact CD2-CG2 4.01Å; M444-I469 HydrophobicContact CB-CD1 4.14Å; M444-I469 HydrophobicContact CB-CG1 3.66Å; L448-I469 HydrophobicContact CB-CD1 3.8Å; L448-I469 HydrophobicContact CD2-CD1 3.65Å; L448-I469 HydrophobicContact CG-CD1 4.35Å; L465-I469 HydrophobicContact CG-CD1 4.13Å; L465-I469 VanDerWaalsContact O-CG1 3.3Å; L465-I469 WeakPolarHBondContact O-CG1 3.26Å; L465-I469 PolarHBondContact O-N 2.85Å; A466-I469 PolarHBondContact O-N 3.49Å; I469-T471 VanDerWaalsContact C-N 3.28Å; I469-T471 PolarHBondContact O-N 3.03Å; I469-A472 PolarHBondContact O-N 2.96Å; I469-L473 HydrophobicContact CG2-CD1 4.09Å; I469-L473 HydrophobicContact CG2-CG 4.23Å; I469-L473 WeakPolarHBondContact O-CB 3.42Å; I469-L473 WeakPolarHBondContact O-CG 3.37Å; I469-L473 PolarHBondContact O-N 3.02Å
470A86.2Confident87.4Confident29 Ų2953.5 Ų53.524%0.2429%0.286CS..Hα-helixtrans-57.2-43.1178.100000112L398 A466 K467 L473 Q474L398-A470 HydrophobicContact CD1-CB 3.94Å; A466-A470 PolarHBondContact O-N 3.17Å; K467-A470 PolarHBondContact O-N 2.91Å; A470-L473 PolarHBondContact O-N 3.42Å; A470-Q474 PolarHBondContact O-N 2.95Å
471T83.7Confident87.4Confident76 Ų7650 Ų5047%0.46626%0.262SS..Hα-helixtrans-65.7-47.2176.7-50.60000111.1K467 Q468 I469 L473 Q474 N475K467-T471 PolarHBondContact O-N 3.33Å; K467-T471 VanDerWaalsContact O-N 3.11Å; K467-T471 PolarHBondContact O-OG1 3.13Å; Q468-T471 PolarHBondContact O-N 3.45Å; I469-T471 VanDerWaalsContact C-N 3.28Å; I469-T471 PolarHBondContact O-N 3.03Å; T471-L473 VanDerWaalsContact C-N 3.29Å; T471-L473 PolarHBondContact O-N 3.21Å; T471-Q474 WeakPolarHBondContact O-CB 3.29Å; T471-Q474 PolarHBondContact O-N 3.39Å; T471-N475 PolarHBondContact O-N 2.99Å; T471-N475 VanDerWaalsContact O-N 3.1Å; T471-N475 PolarHBondContact O-OD1 3.49Å
472A89.1Confident87.2Confident23 Ų2351.3 Ų51.319%0.1927%0.266CS..Hα-helixtrans-64.3-32.6179.800000112.7L441 M444 Q468 I469 N475 L476L441-A472 HydrophobicContact CD1-CB 4.33Å; L441-A472 HydrophobicContact CD2-CB 3.47Å; L441-A472 VanDerWaalsContact CD2-CB 3.47Å; L441-A472 HydrophobicContact CG-CB 3.8Å; M444-A472 HydrophobicContact CE-CB 3.82Å; Q468-A472 WeakPolarHBondContact O-CB 3.3Å; Q468-A472 PolarHBondContact O-N 3.38Å; I469-A472 PolarHBondContact O-N 2.96Å; A472-N475 PolarHBondContact O-N 3.4Å; A472-L476 PolarHBondContact O-N 3.46Å
473L90.3Very high87.2Confident1 Ų151.4 Ų51.41%0.00527%0.266CS..Hα-helixtrans-63.2-42.1174-78.5173.9000112A394 L398 I411 L414 L441 I469 A470 T471 N475 L476 Q477A394-L473 HydrophobicContact CB-CD1 4.13Å; L398-L473 HydrophobicContact CD1-CD1 3.72Å; I411-L473 HydrophobicContact CD1-CD1 4.44Å; I411-L473 HydrophobicContact CG1-CD1 4.46Å; I411-L473 HydrophobicContact CG2-CD2 4.42Å; L414-L473 HydrophobicContact CD1-CD2 4Å; L414-L473 HydrophobicContact CD2-CD2 3.97Å; L441-L473 HydrophobicContact CD1-CD2 4.24Å; L441-L473 HydrophobicContact CD2-CD2 4.11Å; L441-L473 HydrophobicContact CD2-CG 3.97Å; I469-L473 HydrophobicContact CG2-CD1 4.09Å; I469-L473 HydrophobicContact CG2-CG 4.23Å; I469-L473 WeakPolarHBondContact O-CB 3.42Å; I469-L473 WeakPolarHBondContact O-CG 3.37Å; I469-L473 PolarHBondContact O-N 3.02Å; A470-L473 PolarHBondContact O-N 3.42Å; T471-L473 VanDerWaalsContact C-N 3.29Å; T471-L473 PolarHBondContact O-N 3.21Å; L473-N475 VanDerWaalsContact C-N 3.34Å; L473-L476 PolarHBondContact O-N 3.33Å; L473-Q477 PolarHBondContact O-N 3.24Å
474Q84.1Confident87.3Confident74 Ų7444.6 Ų44.635%0.34624%0.241SC..Hα-helixtrans-63.4-41.4174.4-66.2-63.7-64.100111.3A470 T471 L476 Q477 S478A470-Q474 PolarHBondContact O-N 2.95Å; T471-Q474 WeakPolarHBondContact O-CB 3.29Å; T471-Q474 PolarHBondContact O-N 3.39Å; Q474-L476 PolarHBondContact O-N 2.68Å; Q474-Q477 WeakPolarHBondContact O-CB 3.28Å; Q474-Q477 PolarHBondContact O-N 3.4Å; Q474-S478 PolarHBondContact O-N 2.91Å
475N83.9Confident87.1Confident52 Ų5244.2 Ų44.228%0.27824%0.238SC..Hα-helixtrans-65.7-39.5177.8-70.110.4000111.9T471 A472 L473 S478 K479T471-N475 PolarHBondContact O-N 2.99Å; T471-N475 VanDerWaalsContact O-N 3.1Å; T471-N475 PolarHBondContact O-OD1 3.49Å; A472-N475 PolarHBondContact O-N 3.4Å; L473-N475 VanDerWaalsContact C-N 3.34Å; N475-S478 PolarHBondContact O-N 2.99Å; N475-K479 WeakPolarHBondContact O-CG 3.33Å; N475-K479 PolarHBondContact O-N 2.77Å
476L91.1Very high86.7Confident0 Ų047.6 Ų47.60%026%0.256CS..Hα-helixtrans-62.5-44.1173.4-17864.6000111.1L414 L415 A418 I434 A438 L441 A472 L473 Q474 S478 K479 T480L414-L476 HydrophobicContact CD2-CD2 3.79Å; L415-L476 HydrophobicContact CD2-CD2 3.53Å; A418-L476 HydrophobicContact CB-CD1 4.08Å; A418-L476 HydrophobicContact CB-CD2 3.83Å; A418-L476 HydrophobicContact CB-CG 4.11Å; I434-L476 HydrophobicContact CG2-CD1 4.07Å; A438-L476 HydrophobicContact CB-CD1 4.47Å; L441-L476 HydrophobicContact CD1-CB 3.74Å; L441-L476 HydrophobicContact CD1-CD2 3.61Å; L441-L476 HydrophobicContact CD1-CG 4.25Å; A472-L476 PolarHBondContact O-N 3.46Å; L473-L476 PolarHBondContact O-N 3.33Å; Q474-L476 PolarHBondContact O-N 2.68Å; L476-S478 PolarHBondContact O-N 2.97Å; L476-K479 PolarHBondContact O-N 3.05Å; L476-T480 HydrophobicContact CD1-CG2 4.32Å; L476-T480 HydrophobicContact CG-CG2 4.45Å; L476-T480 WeakPolarHBondContact O-CG2 3.19Å; L476-T480 PolarHBondContact O-N 2.68Å; L476-T480 PolarHBondContact O-OG1 3.48Å; L476-T480 VanDerWaalsContact O-OG1 3.08Å
477Q88Confident86.3Confident38 Ų3848.5 Ų48.518%0.17826%0.262CS..Hα-helixtrans-56.9-48.6176.4-171.4-178.416.600111.3I387 I391 L473 Q474 K479 T480 N481I387-Q477 HydrophobicContact CG2-CG 4.27Å; I391-Q477 HydrophobicContact CD1-CB 3.69Å; I391-Q477 HydrophobicContact CD1-CG 3.69Å; L473-Q477 PolarHBondContact O-N 3.24Å; Q474-Q477 WeakPolarHBondContact O-CB 3.28Å; Q474-Q477 PolarHBondContact O-N 3.4Å; Q477-K479 PolarHBondContact O-N 2.7Å; Q477-T480 WeakPolarHBondContact CA-OG1 3.42Å; Q477-T480 PolarHBondContact O-N 3.42Å; Q477-T480 PolarHBondContact O-OG1 2.71Å; Q477-N481 WeakPolarHBondContact O-CB 3.49Å; Q477-N481 PolarHBondContact O-N 3.29Å; Q477-N481 PolarHBondContact O-OD1 3.14Å
478S84.3Confident86Confident68 Ų6842.6 Ų42.648%0.47624%0.235SC..Hα-helixtrans-57-49.1177.2176.80000112.1Q474 N475 L476 T480 N481 K482Q474-S478 PolarHBondContact O-N 2.91Å; N475-S478 PolarHBondContact O-N 2.99Å; L476-S478 PolarHBondContact O-N 2.97Å; S478-T480 PolarHBondContact O-N 2.94Å; S478-N481 PolarHBondContact O-N 2.89Å; S478-K482 PolarHBondContact O-N 3.48Å
479K88.2Confident85.6Confident52 Ų5238.5 Ų38.523%0.22622%0.218CC..Hα-helixtrans-60.4-43.7176.8-69.6179.1-179.8-170.20112.6I434 S437 N475 L476 Q477 K482 A483I434-K479 HydrophobicContact CG1-CB 4.05Å; S437-K479 PolarHBondContact OG-NZ 3.13Å; N475-K479 WeakPolarHBondContact O-CG 3.33Å; N475-K479 PolarHBondContact O-N 2.77Å; L476-K479 PolarHBondContact O-N 3.05Å; Q477-K479 PolarHBondContact O-N 2.7Å; K479-K482 PolarHBondContact O-N 2.93Å; K479-A483 PolarHBondContact O-N 2.93Å
480T90.5Very high84.8Confident0 Ų040.4 Ų40.40%023%0.234CC..Hα-helixtrans-66.6-37.3177.453.50000112.2I387 A418 I421 I434 L476 Q477 S478 A483 V484I387-T480 HydrophobicContact CD1-CG2 4.17Å; A418-T480 HydrophobicContact CB-CG2 3.81Å; I421-T480 HydrophobicContact CD1-CG2 4.18Å; I434-T480 HydrophobicContact CG2-CG2 4.14Å; L476-T480 HydrophobicContact CD1-CG2 4.32Å; L476-T480 HydrophobicContact CG-CG2 4.45Å; L476-T480 WeakPolarHBondContact O-CG2 3.19Å; L476-T480 PolarHBondContact O-N 2.68Å; L476-T480 PolarHBondContact O-OG1 3.48Å; L476-T480 VanDerWaalsContact O-OG1 3.08Å; Q477-T480 WeakPolarHBondContact CA-OG1 3.42Å; Q477-T480 PolarHBondContact O-N 3.42Å; Q477-T480 PolarHBondContact O-OG1 2.71Å; S478-T480 PolarHBondContact O-N 2.94Å; T480-A483 PolarHBondContact O-N 3.31Å; T480-V484 VanDerWaalsContact O-CG2 3.24Å; T480-V484 WeakPolarHBondContact O-CG2 3.4Å; T480-V484 PolarHBondContact O-N 3.48Å; T480-V484 VanDerWaalsContact O-N 3.1Å
481N85.3Confident84.3Confident38 Ų3842.2 Ų42.220%0.20324%0.236CC..Hα-helixtrans-63.5-43.7175.4-72.6-6000110.9K384 Q477 S478 V484 A485K384-N481 VanDerWaalsContact CE-OD1 3.23Å; K384-N481 WeakPolarHBondContact CE-OD1 3.4Å; Q477-N481 WeakPolarHBondContact O-CB 3.49Å; Q477-N481 PolarHBondContact O-N 3.29Å; Q477-N481 PolarHBondContact O-OD1 3.14Å; S478-N481 PolarHBondContact O-N 2.89Å; N481-V484 PolarHBondContact O-N 3.28Å; N481-A485 PolarHBondContact O-N 3.39Å
482K83.8Confident84.4Confident129 Ų12940 Ų4056%0.56123%0.226SC*.Hα-helixtrans-61.4-45176.8-174.6173.4-179.91730112.3S478 K479 V484 A485 N486S478-K482 PolarHBondContact O-N 3.48Å; K479-K482 PolarHBondContact O-N 2.93Å; K482-V484 VanDerWaalsContact C-N 3.31Å; K482-V484 PolarHBondContact O-N 2.96Å; K482-A485 WeakPolarHBondContact O-CB 3.34Å; K482-A485 PolarHBondContact O-N 3.29Å; K482-A485 VanDerWaalsContact O-N 3.09Å; K482-N486 WeakPolarHBondContact O-CB 3.47Å; K482-N486 PolarHBondContact O-N 3Å
483A87.9Confident84.1Confident3 Ų339.9 Ų39.93%0.02523%0.225CC..Hα-helixtrans-60.9-38.2175.500000113.1I421 I434 K479 T480 S487I421-A483 HydrophobicContact CG2-CB 4.02Å; I434-A483 HydrophobicContact CD1-CB 3.7Å; K479-A483 PolarHBondContact O-N 2.93Å; T480-A483 PolarHBondContact O-N 3.31Å; A483-S487 PolarHBondContact O-N 3.33Å
484V86.4Confident83.8Confident1 Ų141.8 Ų41.81%0.00624%0.236CC..Hα-helixtrans-70.1-32.3174.5176.70000111.8M380 K384 I421 T480 N481 K482 S487M380-V484 HydrophobicContact CB-CG2 4.25Å; M380-V484 HydrophobicContact CE-CG2 4.04Å; K384-V484 HydrophobicContact CB-CG2 4.4Å; K384-V484 HydrophobicContact CD-CG1 4.3Å; I421-V484 HydrophobicContact CD1-CG2 4.1Å; I421-V484 HydrophobicContact CG1-CG2 4.46Å; I421-V484 HydrophobicContact CG2-CG2 4.15Å; T480-V484 VanDerWaalsContact O-CG2 3.24Å; T480-V484 WeakPolarHBondContact O-CG2 3.4Å; T480-V484 PolarHBondContact O-N 3.48Å; T480-V484 VanDerWaalsContact O-N 3.1Å; N481-V484 PolarHBondContact O-N 3.28Å; K482-V484 VanDerWaalsContact C-N 3.31Å; K482-V484 PolarHBondContact O-N 2.96Å; V484-S487 PolarHBondContact O-OG 3.2Å
485A80.7Confident83.8Confident55 Ų5540.2 Ų40.246%0.45523%0.229SC..Hα-helixtrans-69.5-43.4174.100000111.4N481 K482 S487 R488N481-A485 PolarHBondContact O-N 3.39Å; K482-A485 WeakPolarHBondContact O-CB 3.34Å; K482-A485 PolarHBondContact O-N 3.29Å; K482-A485 VanDerWaalsContact O-N 3.09Å; A485-S487 VanDerWaalsContact C-N 3.27Å; A485-S487 PolarHBondContact O-N 3.01Å; A485-R488 WeakPolarHBondContact O-CB 3.48Å; A485-R488 PolarHBondContact O-N 3.42Å; A485-R488 VanDerWaalsContact O-N 3.08Å
486N81.2Confident84.1Confident84 Ų8437.9 Ų37.945%0.44922%0.216SC..Hα-helixtrans-71.3-18.9-178.1-70.9-11.9000114E430 K482 R488E430-N486 PolarHBondContact OE1-ND2 3.5Å; K482-N486 WeakPolarHBondContact O-CB 3.47Å; K482-N486 PolarHBondContact O-N 3Å; N486-R488 PolarHBondContact O-N 3.36Å
487S80.9Confident83.9Confident28 Ų2841.5 Ų41.520%0.19623%0.233CC..THydrogen-bonded Turntrans-73.7-4.317169.90000113.4A317 A483 V484 A485A317-S487 WeakPolarHBondContact CB-O 3.35Å; A483-S487 PolarHBondContact O-N 3.33Å; V484-S487 PolarHBondContact O-OG 3.2Å; A485-S487 VanDerWaalsContact C-N 3.27Å; A485-S487 PolarHBondContact O-N 3.01Å
488R79.8Confident83.9Confident33 Ų3340.1 Ų40.113%0.12523%0.23CC..SBendtrans-111.4142.4179.3-58.2177.4-170.8161.81110.7A259 L377 T381 A485 N486A259-R488 VanDerWaalsContact CB-CZ 3.46Å; A259-R488 VanDerWaalsContact CB-NH1 3.28Å; L377-R488 HydrophobicContact CD1-CG 4.19Å; T381-R488 PolarHBondContact OG1-NH2 3.43Å; A485-R488 WeakPolarHBondContact O-CB 3.48Å; A485-R488 PolarHBondContact O-N 3.42Å; A485-R488 VanDerWaalsContact O-N 3.08Å; N486-R488 PolarHBondContact O-N 3.36Å
489P80.1Confident84.2Confident25 Ų2538 Ų3816%0.16221%0.212CC..PPolyproline II helixtrans-72153.6174.630.5-32.5000110.6E314 L315 C316 K491E314-P489 VanDerWaalsContact O-CG 3.3Å; E314-P489 WeakPolarHBondContact O-CG 3.42Å; L315-P489 WeakPolarHBondContact O-CD 3.36Å; C316-P489 WeakPolarHBondContact O-CG 3.33Å; P489-K491 PolarHBondContact O-N 2.9Å
490A75.3Confident84.4Confident39 Ų3937.2 Ų37.232%0.32221%0.211SC..PPolyproline II helixtrans-59133.5167.600000109.7S515 V517A490-S515 WeakPolarHBondContact CB-O 3.04Å; A490-V517 HydrophobicContact CB-CG2 3.48Å; A490-V517 VanDerWaalsContact CB-CG2 3.48Å
491K76.3Confident84.3Confident67 Ų6738.6 Ų38.629%0.29122%0.218SC..PPolyproline II helixtrans-90.3129.5-172.9-67.6-166.3-179.7-170.60111.9W258 D262 P489W258-K491 HydrophobicContact CD2-CD 4.04Å; W258-K491 HydrophobicContact CE3-CD 3.91Å; W258-K491 VanDerWaalsContact CE3-NZ 3.29Å; W258-K491 HydrophobicContact CG-CD 4.39Å; W258-K491 HydrophobicContact CZ3-CD 4.38Å; D262-K491 IonicContact OD1-NZ 2.71Å; D262-K491 PolarHBondContact OD1-NZ 2.94Å; D262-K491 WeakPolarHBondContact OD2-CE 3.5Å; D262-K491 IonicContact OD2-NZ 2.67Å; D262-K491 PolarHBondContact OD2-NZ 3.27Å; P489-K491 PolarHBondContact O-N 2.9Å
492A84.7Confident84.5Confident30 Ų3038.6 Ų38.625%0.24822%0.216CC..PPolyproline II helixtrans-68.9159.3164.500000110.7K499 Q502 A520 A521A492-K499 HydrophobicContact CB-CG 4.49Å; A492-Q502 VanDerWaalsContact CA-OE1 3.23Å; A492-A520 HydrophobicContact CB-CB 4.47Å; A492-A521 HydrophobicContact CB-CB 4.01Å
493A84.2Confident85Confident20 Ų2032.4 Ų32.417%0.16519%0.19CC..PPolyproline II helixtrans-60.5147.6176.200000111.5G498 K499A493-G498 VanDerWaalsContact CB-C 3.44Å; A493-K499 HydrophobicContact CB-CG 4.41Å; A493-K499 WeakPolarHBondContact O-CE 3.24Å; A493-K499 WeakPolarHBondContact O-CG 3.46Å; A493-K499 PolarHBondContact O-NZ 2.92Å; A493-K499 VanDerWaalsContact O-NZ 3.1Å
494V82.9Confident85.2Confident41 Ų4134.4 Ų34.425%0.24820%0.198CC..SBendtrans-72.5-37-179.6-74.50000112.7W258 K499 K658 V661W258-V494 HydrophobicContact CH2-CG1 4.36Å; V494-K499 PolarHBondContact O-NZ 3.42Å; V494-K658 HydrophobicContact CG2-CG 4.04Å; V494-V661 HydrophobicContact CB-CG1 4.39Å
495H84.9Confident85.2Confident42 Ų4238 Ų3819%0.19421%0.212CC..SBendtrans-94.6158-179.164.494.2000112.6G498 K499 V661H495-G498 VanDerWaalsContact CE1-CA 3.44Å; H495-G498 WeakPolarHBondContact CE1-CA 3.32Å; H495-G498 PolarHBondContact CE1-N 3.36Å; H495-G498 PolarHBondContact ND1-N 3.36Å; H495-G498 VanDerWaalsContact ND1-N 3.13Å; H495-G498 PolarHBondContact O-N 2.85Å; H495-K499 PolarHBondContact O-N 2.92Å; H495-V661 HydrophobicContact CB-CG2 3.93Å
496L89.1Confident85.8Confident2 Ų235.7 Ų35.71%0.0119%0.192CC..Hα-helixtrans-59.7-49.3-172.7-177.575.3000113.8G498 K499 T500 L525 K587 M590 Q591 V653L496-G498 VanDerWaalsContact C-N 3.27Å; L496-G498 PolarHBondContact O-N 3.2Å; L496-K499 PolarHBondContact O-N 2.8Å; L496-T500 PolarHBondContact O-N 3.24Å; L496-T500 PolarHBondContact O-OG1 2.9Å; L496-L525 HydrophobicContact CD1-CD2 3.34Å; L496-K587 HydrophobicContact CD2-CD 4.26Å; L496-K587 HydrophobicContact CD2-CG 3.9Å; L496-M590 HydrophobicContact CD1-CE 4.27Å; L496-Q591 HydrophobicContact CD2-CG 4.3Å; L496-V653 VanDerWaalsContact CD2-O 3.25Å; L496-V653 WeakPolarHBondContact CD2-O 3.47Å
497E87.8Confident86.3Confident76 Ų7631.9 Ų31.936%0.35517%0.171SC..Hα-helixtrans-62.5-36.9-177.9-62.7-57.115700111.8T500 E501 K587E497-T500 PolarHBondContact O-N 2.93Å; E497-E501 WeakPolarHBondContact O-CB 3.47Å; E497-E501 PolarHBondContact O-N 3Å; E497-K587 VanDerWaalsContact OE1-CE 3.27Å; E497-K587 WeakPolarHBondContact OE1-CE 3.42Å; E497-K587 IonicContact OE1-NZ 2.83Å; E497-K587 PolarHBondContact OE1-NZ 3.41Å; E497-K587 IonicContact OE2-NZ 3.34Å; E497-K587 PolarHBondContact OE2-NZ 3.28Å
498G88.2Confident86.5Confident10 Ų1035 Ų3510%0.10319%0.186CC..Hα-helixtrans-65.9-40.8176.500000111.8A493 H495 L496 E501 Q502A493-G498 VanDerWaalsContact CB-C 3.44Å; H495-G498 VanDerWaalsContact CE1-CA 3.44Å; H495-G498 WeakPolarHBondContact CE1-CA 3.32Å; H495-G498 PolarHBondContact CE1-N 3.36Å; H495-G498 PolarHBondContact ND1-N 3.36Å; H495-G498 VanDerWaalsContact ND1-N 3.13Å; H495-G498 PolarHBondContact O-N 2.85Å; L496-G498 VanDerWaalsContact C-N 3.27Å; L496-G498 PolarHBondContact O-N 3.2Å; G498-E501 PolarHBondContact O-N 3Å; G498-Q502 WeakPolarHBondContact O-CB 3.49Å; G498-Q502 VanDerWaalsContact O-CG 3.31Å; G498-Q502 WeakPolarHBondContact O-CG 3.44Å; G498-Q502 PolarHBondContact O-N 3Å
499K90.8Very high86.8Confident22 Ų2237.1 Ų37.110%0.09620%0.199CC..Hα-helixtrans-65-42.7174.3-68-168-17579.60111.2A492 A493 V494 H495 L496 E501 Q502 A503 A521 L525A492-K499 HydrophobicContact CB-CG 4.49Å; A493-K499 HydrophobicContact CB-CG 4.41Å; A493-K499 WeakPolarHBondContact O-CE 3.24Å; A493-K499 WeakPolarHBondContact O-CG 3.46Å; A493-K499 PolarHBondContact O-NZ 2.92Å; A493-K499 VanDerWaalsContact O-NZ 3.1Å; V494-K499 PolarHBondContact O-NZ 3.42Å; H495-K499 PolarHBondContact O-N 2.92Å; L496-K499 PolarHBondContact O-N 2.8Å; K499-E501 VanDerWaalsContact C-N 3.3Å; K499-E501 PolarHBondContact O-N 3.12Å; K499-Q502 PolarHBondContact O-N 2.81Å; K499-A503 WeakPolarHBondContact O-CB 3.36Å; K499-A503 PolarHBondContact O-N 2.76Å; K499-A521 HydrophobicContact CB-CB 4.06Å; K499-A521 HydrophobicContact CG-CB 4.47Å; K499-A521 WeakPolarHBondContact O-CB 3.41Å; K499-L525 HydrophobicContact CB-CD1 4.33Å; K499-L525 HydrophobicContact CB-CD2 4.05Å; K499-L525 HydrophobicContact CB-CG 4.07Å; K499-L525 HydrophobicContact CD-CD2 4.22Å; K499-L525 HydrophobicContact CD-CG 4.28Å
500T91.3Very high87.1Confident36 Ų3636.6 Ų36.622%0.22120%0.196CC..Hα-helixtrans-61.8-41.5178.7-53.30000110.7L496 E497 A503 Q504L496-T500 PolarHBondContact O-N 3.24Å; L496-T500 PolarHBondContact O-OG1 2.9Å; E497-T500 PolarHBondContact O-N 2.93Å; T500-A503 PolarHBondContact O-N 3.46Å; T500-Q504 WeakPolarHBondContact O-CB 3.43Å; T500-Q504 PolarHBondContact O-N 2.89Å
501E88.8Confident87.4Confident29 Ų2938.1 Ų38.114%0.13620%0.201CC..Hα-helixtrans-66.4-44.9176.4-176.9173.3164.400112.4E497 G498 K499 A503 Q504 R505 K1039 R1043E497-E501 WeakPolarHBondContact O-CB 3.47Å; E497-E501 PolarHBondContact O-N 3Å; G498-E501 PolarHBondContact O-N 3Å; K499-E501 VanDerWaalsContact C-N 3.3Å; K499-E501 PolarHBondContact O-N 3.12Å; E501-A503 VanDerWaalsContact C-N 3.33Å; E501-A503 PolarHBondContact O-N 3.34Å; E501-Q504 PolarHBondContact O-N 3.34Å; E501-R505 VanDerWaalsContact O-CG 3.25Å; E501-R505 WeakPolarHBondContact O-CG 3.45Å; E501-R505 PolarHBondContact O-N 3.46Å; E501-R505 IonicContact OE1-CZ 2.66Å; E501-R505 IonicContact OE1-NE 2.86Å; E501-R505 PolarHBondContact OE1-NE 3.49Å; E501-R505 IonicContact OE1-NH2 3.88Å; E501-R505 PolarHBondContact OE1-NH2 3.34Å; E501-K1039 VanDerWaalsContact OE1-CE 3.26Å; E501-K1039 WeakPolarHBondContact OE1-CE 3.49Å; E501-K1039 IonicContact OE1-NZ 3.48Å; E501-K1039 PolarHBondContact OE1-NZ 3.42Å; E501-K1039 IonicContact OE2-NZ 2.71Å; E501-R1043 IonicContact OE1-NH2 3.92Å; E501-R1043 IonicContact OE2-CZ 3.97Å; E501-R1043 VanDerWaalsContact OE2-CZ 3.27Å; E501-R1043 IonicContact OE2-NH1 2.83Å; E501-R1043 PolarHBondContact OE2-NH1 2.95Å; E501-R1043 IonicContact OE2-NH2 3.64Å; E501-R1043 PolarHBondContact OE2-NH2 3.39Å
502Q90.4Very high87.6Confident38 Ų3838 Ų3818%0.17821%0.206CC..Hα-helixtrans-61.3-41.9175.6-74.6173.1-22.200112.1A492 G498 K499 W506 V517 G518 A521A492-Q502 VanDerWaalsContact CA-OE1 3.23Å; G498-Q502 WeakPolarHBondContact O-CB 3.49Å; G498-Q502 VanDerWaalsContact O-CG 3.31Å; G498-Q502 WeakPolarHBondContact O-CG 3.44Å; G498-Q502 PolarHBondContact O-N 3Å; K499-Q502 PolarHBondContact O-N 2.81Å; Q502-W506 PolarHBondContact O-N 3.07Å; Q502-V517 HydrophobicContact CB-CG1 4.13Å; Q502-V517 VanDerWaalsContact CD-CG1 3.41Å; Q502-V517 HydrophobicContact CG-CG1 3.85Å; Q502-G518 WeakPolarHBondContact O-CA 3.39Å; Q502-A521 HydrophobicContact CB-CB 3.8Å
503A93.7Very high87.3Confident0 Ų043.1 Ų43.10%023%0.229CC..Hα-helixtrans-60.9-49.3173.900000111.4K499 T500 E501 R505 W506 I507 A521 I522 L583K499-A503 WeakPolarHBondContact O-CB 3.36Å; K499-A503 PolarHBondContact O-N 2.76Å; T500-A503 PolarHBondContact O-N 3.46Å; E501-A503 VanDerWaalsContact C-N 3.33Å; E501-A503 PolarHBondContact O-N 3.34Å; A503-R505 VanDerWaalsContact C-N 3.32Å; A503-R505 PolarHBondContact O-N 3.33Å; A503-W506 PolarHBondContact O-N 2.97Å; A503-I507 VanDerWaalsContact O-CG1 3.25Å; A503-I507 WeakPolarHBondContact O-CG1 3.19Å; A503-I507 PolarHBondContact O-N 2.91Å; A503-A521 HydrophobicContact CB-CB 4.48Å; A503-I522 HydrophobicContact CB-CD1 4.12Å; A503-I522 HydrophobicContact CB-CG1 3.47Å; A503-I522 VanDerWaalsContact CB-CG1 3.47Å; A503-L583 HydrophobicContact CB-CD1 4.21Å
504Q91.6Very high87Confident44 Ų4444.3 Ų44.321%0.20623%0.233CC..Hα-helixtrans-59.1-42.2-179.9-171.964.758.900112T500 E501 W506 I507 D508 Q580T500-Q504 WeakPolarHBondContact O-CB 3.43Å; T500-Q504 PolarHBondContact O-N 2.89Å; E501-Q504 PolarHBondContact O-N 3.34Å; Q504-W506 VanDerWaalsContact C-N 3.31Å; Q504-W506 PolarHBondContact O-N 2.86Å; Q504-I507 PolarHBondContact O-N 3.45Å; Q504-I507 VanDerWaalsContact O-N 3.15Å; Q504-D508 PolarHBondContact NE2-OD1 2.93Å; Q504-D508 PolarHBondContact O-N 3.35Å; Q504-Q580 VanDerWaalsContact CD-NE2 3.27Å; Q504-Q580 VanDerWaalsContact NE2-NE2 3.14Å
505R87.3Confident86.9Confident77 Ų7746.6 Ų46.629%0.29125%0.251SS..Hα-helixtrans-57.5-44.1178.4-72.7168.4-173.3-170.5-2.8112.4E501 A503 N509 Q908E501-R505 VanDerWaalsContact O-CG 3.25Å; E501-R505 WeakPolarHBondContact O-CG 3.45Å; E501-R505 PolarHBondContact O-N 3.46Å; E501-R505 IonicContact OE1-CZ 2.66Å; E501-R505 IonicContact OE1-NE 2.86Å; E501-R505 PolarHBondContact OE1-NE 3.49Å; E501-R505 IonicContact OE1-NH2 3.88Å; E501-R505 PolarHBondContact OE1-NH2 3.34Å; A503-R505 VanDerWaalsContact C-N 3.32Å; A503-R505 PolarHBondContact O-N 3.33Å; R505-N509 PolarHBondContact O-N 3.22Å; R505-Q908 VanDerWaalsContact CZ-NE2 3.3Å; R505-Q908 VanDerWaalsContact NH1-CD 3.35Å; R505-Q908 VanDerWaalsContact NH2-CD 3.34Å
506W92.2Very high86.8Confident7 Ų745.9 Ų45.93%0.02725%0.254CS..Hα-helixtrans-69.9-38.1177.3174.473.7000111.9Q502 A503 Q504 D508 N509 P510 Q519 I522 M555 L558 A559 L579Q502-W506 PolarHBondContact O-N 3.07Å; A503-W506 PolarHBondContact O-N 2.97Å; Q504-W506 VanDerWaalsContact C-N 3.31Å; Q504-W506 PolarHBondContact O-N 2.86Å; W506-D508 VanDerWaalsContact C-N 3.31Å; W506-D508 PolarHBondContact O-N 2.94Å; W506-N509 CarbonylContact O-C 3.6Å; W506-N509 VanDerWaalsContact O-C 3.23Å; W506-N509 PolarHBondContact O-N 3.36Å; W506-P510 WeakPolarHBondContact O-CA 3.29Å; W506-Q519 HydrophobicContact CD2-CG 3.96Å; W506-Q519 HydrophobicContact CE3-CG 4.32Å; W506-Q519 HydrophobicContact CH2-CG 4.14Å; W506-Q519 HydrophobicContact CZ2-CG 3.77Å; W506-Q519 HydrophobicContact CZ3-CG 4.4Å; W506-I522 HydrophobicContact CE3-CD1 3.72Å; W506-I522 HydrophobicContact CZ3-CD1 3.7Å; W506-M555 HydrophobicContact CH2-CG 4Å; W506-M555 HydrophobicContact CZ3-CG 3.92Å; W506-L558 HydrophobicContact CE3-CD2 4.47Å; W506-L558 HydrophobicContact CH2-CB 3.9Å; W506-L558 HydrophobicContact CH2-CD2 3.91Å; W506-L558 HydrophobicContact CH2-CG 3.97Å; W506-L558 HydrophobicContact CZ2-CD2 4.48Å; W506-L558 HydrophobicContact CZ2-CG 4.34Å; W506-L558 HydrophobicContact CZ3-CD2 3.89Å; W506-L558 HydrophobicContact CZ3-CG 4.46Å; W506-A559 HydrophobicContact CH2-CB 4.18Å; W506-A559 HydrophobicContact CZ2-CB 3.95Å; W506-L579 HydrophobicContact CZ3-CD2 4.01Å
507I91.9Very high86.7Confident4 Ų447.1 Ų47.12%0.02126%0.262CS..Hα-helixtrans-62.5-40176.1-67.9167.6000111.3A503 Q504 I522 L558 A576 L579 L583A503-I507 VanDerWaalsContact O-CG1 3.25Å; A503-I507 WeakPolarHBondContact O-CG1 3.19Å; A503-I507 PolarHBondContact O-N 2.91Å; Q504-I507 PolarHBondContact O-N 3.45Å; Q504-I507 VanDerWaalsContact O-N 3.15Å; I507-I522 HydrophobicContact CD1-CD1 4.36Å; I507-I522 HydrophobicContact CG1-CD1 4.5Å; I507-L558 HydrophobicContact CG1-CD2 4.49Å; I507-A576 HydrophobicContact CG2-CB 3.71Å; I507-A576 WeakPolarHBondContact CG2-O 3.47Å; I507-L579 HydrophobicContact CD1-CD2 3.9Å; I507-L579 HydrophobicContact CD1-CG 3.78Å; I507-L579 HydrophobicContact CG1-CD2 3.84Å; I507-L579 HydrophobicContact CG1-CG 4.25Å; I507-L583 HydrophobicContact CD1-CD1 3.41Å; I507-L583 VanDerWaalsContact CD1-CD1 3.41Å
508D86.4Confident86.8Confident94 Ų9443.5 Ų43.550%0.50325%0.245SC..Hα-helixtrans-70.2-32.8179.6-66.1-18.9000112.1Q504 W506Q504-D508 PolarHBondContact NE2-OD1 2.93Å; Q504-D508 PolarHBondContact O-N 3.35Å; W506-D508 VanDerWaalsContact C-N 3.31Å; W506-D508 PolarHBondContact O-N 2.94Å
509N84.1Confident86.9Confident77 Ų7745.5 Ų45.541%0.41225%0.252SS..  trans-139.669.3-175.6-56.2-87.7000111.5R505 W506 T511 V512R505-N509 PolarHBondContact O-N 3.22Å; W506-N509 CarbonylContact O-C 3.6Å; W506-N509 VanDerWaalsContact O-C 3.23Å; W506-N509 PolarHBondContact O-N 3.36Å; N509-T511 PolarHBondContact O-N 2.92Å; N509-T511 VanDerWaalsContact O-N 3.14Å; N509-V512 HydrophobicContact CB-CB 4.36Å; N509-V512 HydrophobicContact CB-CG2 3.99Å; N509-V512 PolarHBondContact O-N 3.24Å
510P86.4Confident86.8Confident13 Ų1344.9 Ų44.98%0.08425%0.251CS..THydrogen-bonded Turntrans-71-12.6-171.129.5-37000113.6W506 L558 A562 G567W506-P510 WeakPolarHBondContact O-CA 3.29Å; P510-L558 HydrophobicContact CB-CD1 4.32Å; P510-L558 HydrophobicContact CB-CD2 4.36Å; P510-L558 HydrophobicContact CB-CG 4.14Å; P510-L558 HydrophobicContact CG-CD1 4.17Å; P510-A562 HydrophobicContact CB-CB 4.05Å; P510-A562 WeakPolarHBondContact O-CB 3.47Å; P510-G567 WeakPolarHBondContact CG-O 3.29Å
511T81.9Confident86.8Confident72 Ų7243.2 Ų43.244%0.44224%0.24SC..THydrogen-bonded Turntrans-85.7-15.7177.953.50000113.6N509N509-T511 PolarHBondContact O-N 2.92Å; N509-T511 VanDerWaalsContact O-N 3.14Å
512V81.4Confident87Confident63 Ų6341.8 Ų41.838%0.38223%0.234SC..SBendtrans-86.7128.1179.5179.20000109.4N509 D514N509-V512 HydrophobicContact CB-CB 4.36Å; N509-V512 HydrophobicContact CB-CG2 3.99Å; N509-V512 PolarHBondContact O-N 3.24Å; V512-D514 PolarHBondContact O-N 3.35Å; V512-D514 VanDerWaalsContact O-N 3.11Å
513D77.1Confident86.9Confident138 Ų13843 Ų4374%0.73824%0.237SC*.  trans-69.7107.1176.8-176.713.5000110.7S515D513-S515 VanDerWaalsContact C-N 3.34Å; D513-S515 WeakPolarHBondContact OD1-CA 3.43Å; D513-S515 PolarHBondContact OD1-N 3.47Å
514D79.6Confident86.6Confident45 Ų4544 Ų4424%0.24125%0.246CC..  trans-97.518.2175.273.2-16.5000112.4V512 G516 V517 G518V512-D514 PolarHBondContact O-N 3.35Å; V512-D514 VanDerWaalsContact O-N 3.11Å; D514-G516 PolarHBondContact O-N 3.15Å; D514-G516 VanDerWaalsContact OD1-CA 3.3Å; D514-G516 WeakPolarHBondContact OD1-CA 3.45Å; D514-G516 PolarHBondContact OD1-N 3.47Å; D514-V517 WeakPolarHBondContact O-CB 3.43Å; D514-V517 VanDerWaalsContact O-CG2 3.27Å; D514-V517 WeakPolarHBondContact O-CG2 3.36Å; D514-V517 PolarHBondContact O-N 2.95Å; D514-G518 VanDerWaalsContact OD2-CA 3.31Å; D514-G518 WeakPolarHBondContact OD2-CA 3.46Å; D514-G518 PolarHBondContact OD2-N 2.87Å
515S79.3Confident86.6Confident90 Ų9042.3 Ų42.363%0.62924%0.239SC*.THydrogen-bonded Turntrans58.921.4-172.4-53.30000113.7A490 D513 V517A490-S515 WeakPolarHBondContact CB-O 3.04Å; D513-S515 VanDerWaalsContact C-N 3.34Å; D513-S515 WeakPolarHBondContact OD1-CA 3.43Å; D513-S515 PolarHBondContact OD1-N 3.47Å; S515-V517 VanDerWaalsContact C-N 3.33Å
516G83.3Confident86.8Confident26 Ų2639 Ų3927%0.26823%0.227SC..THydrogen-bonded Turntrans79.110.3179.700000114.7D514 A520D514-G516 PolarHBondContact O-N 3.15Å; D514-G516 VanDerWaalsContact OD1-CA 3.3Å; D514-G516 WeakPolarHBondContact OD1-CA 3.45Å; D514-G516 PolarHBondContact OD1-N 3.47Å; G516-A520 WeakPolarHBondContact O-CB 3.3Å; G516-A520 PolarHBondContact O-N 3.44Å
517V87.2Confident86.5Confident28 Ų2841.2 Ų41.217%0.1725%0.247CC..Hα-helixtrans-64.3-43.3-175.71740000112A490 Q502 D514 S515 A520 A521A490-V517 HydrophobicContact CB-CG2 3.48Å; A490-V517 VanDerWaalsContact CB-CG2 3.48Å; Q502-V517 HydrophobicContact CB-CG1 4.13Å; Q502-V517 VanDerWaalsContact CD-CG1 3.41Å; Q502-V517 HydrophobicContact CG-CG1 3.85Å; D514-V517 WeakPolarHBondContact O-CB 3.43Å; D514-V517 VanDerWaalsContact O-CG2 3.27Å; D514-V517 WeakPolarHBondContact O-CG2 3.36Å; D514-V517 PolarHBondContact O-N 2.95Å; S515-V517 VanDerWaalsContact C-N 3.33Å; V517-A520 WeakPolarHBondContact O-CB 3.23Å; V517-A520 PolarHBondContact O-N 3.36Å; V517-A521 WeakPolarHBondContact O-CB 3.4Å; V517-A521 PolarHBondContact O-N 2.8Å
518G90.2Very high86.2Confident0 Ų042.9 Ų42.90%026%0.255CS..Hα-helixtrans-65.7-44.3-178.700000112.4Q502 D514 A520 A521 I522Q502-G518 WeakPolarHBondContact O-CA 3.39Å; D514-G518 VanDerWaalsContact OD2-CA 3.31Å; D514-G518 WeakPolarHBondContact OD2-CA 3.46Å; D514-G518 PolarHBondContact OD2-N 2.87Å; G518-A520 VanDerWaalsContact C-N 3.33Å; G518-A520 PolarHBondContact O-N 3.31Å; G518-A521 WeakPolarHBondContact O-CB 3.45Å; G518-A521 PolarHBondContact O-N 2.76Å; G518-I522 WeakPolarHBondContact O-CG1 3.29Å; G518-I522 PolarHBondContact O-N 2.74Å
519Q89.9Confident86.3Confident53 Ų5338.4 Ų38.425%0.24823%0.231CC..Hα-helixtrans-65.7-36.8173.3-58-178.317.200112W506 A521 I522 R523 M555W506-Q519 HydrophobicContact CD2-CG 3.96Å; W506-Q519 HydrophobicContact CE3-CG 4.32Å; W506-Q519 HydrophobicContact CH2-CG 4.14Å; W506-Q519 HydrophobicContact CZ2-CG 3.77Å; W506-Q519 HydrophobicContact CZ3-CG 4.4Å; Q519-A521 VanDerWaalsContact C-N 3.31Å; Q519-I522 PolarHBondContact O-N 3.02Å; Q519-R523 VanDerWaalsContact CB-NH1 3.3Å; Q519-R523 WeakPolarHBondContact O-CG 3.48Å; Q519-R523 PolarHBondContact O-N 2.96Å; Q519-M555 HydrophobicContact CB-SD 4.42Å
520A87.8Confident86.4Confident9 Ų937.9 Ų37.97%0.07422%0.223CC..Hα-helixtrans-63.5-38.3174.400000111.7A492 G516 V517 G518 R523 G524A492-A520 HydrophobicContact CB-CB 4.47Å; G516-A520 WeakPolarHBondContact O-CB 3.3Å; G516-A520 PolarHBondContact O-N 3.44Å; V517-A520 WeakPolarHBondContact O-CB 3.23Å; V517-A520 PolarHBondContact O-N 3.36Å; G518-A520 VanDerWaalsContact C-N 3.33Å; G518-A520 PolarHBondContact O-N 3.31Å; A520-R523 PolarHBondContact O-N 3.3Å; A520-G524 PolarHBondContact O-N 2.99Å
521A91.3Very high86.2Confident0 Ų039.2 Ų39.20%023%0.226CC..Hα-helixtrans-63.8-45.2175.500000111.8A492 K499 Q502 A503 V517 G518 Q519 R523 G524 L525A492-A521 HydrophobicContact CB-CB 4.01Å; K499-A521 HydrophobicContact CB-CB 4.06Å; K499-A521 HydrophobicContact CG-CB 4.47Å; K499-A521 WeakPolarHBondContact O-CB 3.41Å; Q502-A521 HydrophobicContact CB-CB 3.8Å; A503-A521 HydrophobicContact CB-CB 4.48Å; V517-A521 WeakPolarHBondContact O-CB 3.4Å; V517-A521 PolarHBondContact O-N 2.8Å; G518-A521 WeakPolarHBondContact O-CB 3.45Å; G518-A521 PolarHBondContact O-N 2.76Å; Q519-A521 VanDerWaalsContact C-N 3.31Å; A521-R523 PolarHBondContact O-N 2.83Å; A521-G524 PolarHBondContact O-N 2.86Å; A521-L525 WeakPolarHBondContact O-CG 3.38Å; A521-L525 PolarHBondContact O-N 2.95Å
522I93.6Very high86.3Confident0 Ų035.8 Ų35.80%021%0.205CC..Hα-helixtrans-60.4-46.1175.1-64.6171.7000110.9A503 W506 I507 G518 Q519 G524 L525 V526 V551 M555 L579 L583A503-I522 HydrophobicContact CB-CD1 4.12Å; A503-I522 HydrophobicContact CB-CG1 3.47Å; A503-I522 VanDerWaalsContact CB-CG1 3.47Å; W506-I522 HydrophobicContact CE3-CD1 3.72Å; W506-I522 HydrophobicContact CZ3-CD1 3.7Å; I507-I522 HydrophobicContact CD1-CD1 4.36Å; I507-I522 HydrophobicContact CG1-CD1 4.5Å; G518-I522 WeakPolarHBondContact O-CG1 3.29Å; G518-I522 PolarHBondContact O-N 2.74Å; Q519-I522 PolarHBondContact O-N 3.02Å; I522-G524 VanDerWaalsContact C-N 3.31Å; I522-G524 PolarHBondContact O-N 3.36Å; I522-L525 WeakPolarHBondContact O-CB 3.36Å; I522-L525 PolarHBondContact O-N 3.25Å; I522-V526 HydrophobicContact CG2-CG2 4.44Å; I522-V526 WeakPolarHBondContact O-CG2 3.24Å; I522-V526 PolarHBondContact O-N 3.28Å; I522-V551 HydrophobicContact CG2-CG1 3.63Å; I522-M555 HydrophobicContact CB-CG 4.47Å; I522-M555 HydrophobicContact CB-SD 3.86Å; I522-M555 HydrophobicContact CD1-CB 4.4Å; I522-M555 HydrophobicContact CD1-CG 4.01Å; I522-M555 HydrophobicContact CD1-SD 4.47Å; I522-M555 HydrophobicContact CG2-CB 4.12Å; I522-M555 HydrophobicContact CG2-CG 4.1Å; I522-M555 HydrophobicContact CG2-SD 3.61Å; I522-L579 HydrophobicContact CD1-CD2 4.25Å; I522-L583 HydrophobicContact CD1-CD1 4.32Å; I522-L583 HydrophobicContact CG1-CD1 4.2Å; I522-L583 HydrophobicContact CG2-CD2 4.39Å
523R88.9Confident86.4Confident64 Ų6432.8 Ų32.824%0.24219%0.187CC..Hα-helixtrans-60.3-41.5176.2-73-173.8-63.4-94.23.7112.2E314 R321 Q519 A520 A521 V526 A527 M555E314-R523 IonicContact OE1-NE 3.5Å; R321-R523 VanDerWaalsContact NH2-NH2 3.11Å; Q519-R523 VanDerWaalsContact CB-NH1 3.3Å; Q519-R523 WeakPolarHBondContact O-CG 3.48Å; Q519-R523 PolarHBondContact O-N 2.96Å; A520-R523 PolarHBondContact O-N 3.3Å; A521-R523 PolarHBondContact O-N 2.83Å; R523-V526 PolarHBondContact O-N 3.14Å; R523-A527 VanDerWaalsContact O-CB 3.32Å; R523-A527 WeakPolarHBondContact O-CB 3.48Å; R523-A527 PolarHBondContact O-N 2.93Å; R523-M555 HydrophobicContact CG-CE 4.25Å; R523-M555 HydrophobicContact CG-SD 4.16Å
524G88.1Confident86.4Confident19 Ų1928.2 Ų28.220%0.19616%0.163CC..Hα-helixtrans-60.1-43.3173.800000112.7A520 A521 I522 A527 E528A520-G524 PolarHBondContact O-N 2.99Å; A521-G524 PolarHBondContact O-N 2.86Å; I522-G524 VanDerWaalsContact C-N 3.31Å; I522-G524 PolarHBondContact O-N 3.36Å; G524-A527 PolarHBondContact O-N 3.48Å; G524-E528 WeakPolarHBondContact O-CG 3.38Å; G524-E528 PolarHBondContact O-N 2.93Å
525L91.2Very high86Confident9 Ų928.7 Ų28.75%0.04717%0.173CC..Hα-helixtrans-63.1-45.9175.9-69.2170.6000111.9L496 K499 A521 I522 A527 E528 G529 L583 M590L496-L525 HydrophobicContact CD1-CD2 3.34Å; K499-L525 HydrophobicContact CB-CD1 4.33Å; K499-L525 HydrophobicContact CB-CD2 4.05Å; K499-L525 HydrophobicContact CB-CG 4.07Å; K499-L525 HydrophobicContact CD-CD2 4.22Å; K499-L525 HydrophobicContact CD-CG 4.28Å; A521-L525 WeakPolarHBondContact O-CG 3.38Å; A521-L525 PolarHBondContact O-N 2.95Å; I522-L525 WeakPolarHBondContact O-CB 3.36Å; I522-L525 PolarHBondContact O-N 3.25Å; L525-A527 PolarHBondContact O-N 3.49Å; L525-E528 PolarHBondContact O-N 3.49Å; L525-G529 PolarHBondContact O-N 3.45Å; L525-L583 HydrophobicContact CD1-CD2 4.04Å; L525-M590 HydrophobicContact CD2-CE 4.29Å
526V91.1Very high85.8Confident8 Ų826.1 Ų26.15%0.04815%0.152CC..Hα-helixtrans-64-40.8177.7170.90000111.3I522 R523 E528 G529 R530 C548 V551 L586I522-V526 HydrophobicContact CG2-CG2 4.44Å; I522-V526 WeakPolarHBondContact O-CG2 3.24Å; I522-V526 PolarHBondContact O-N 3.28Å; R523-V526 PolarHBondContact O-N 3.14Å; V526-E528 VanDerWaalsContact C-N 3.35Å; V526-E528 PolarHBondContact O-N 3.02Å; V526-G529 PolarHBondContact O-N 3.07Å; V526-R530 WeakPolarHBondContact O-CG 3.13Å; V526-R530 PolarHBondContact O-N 3.17Å; V526-C548 HydrophobicContact CG1-CB 4Å; V526-V551 HydrophobicContact CG2-CB 4.08Å; V526-V551 HydrophobicContact CG2-CG1 3.64Å; V526-L586 HydrophobicContact CG2-CD2 4.26Å
527A85.1Confident85.4Confident54 Ų5431.8 Ų31.845%0.44617%0.172SC..Hα-helixtrans-61.7-43176.800000111.6R523 G524 L525 R530 R531R523-A527 VanDerWaalsContact O-CB 3.32Å; R523-A527 WeakPolarHBondContact O-CB 3.48Å; R523-A527 PolarHBondContact O-N 2.93Å; G524-A527 PolarHBondContact O-N 3.48Å; L525-A527 PolarHBondContact O-N 3.49Å; A527-R530 PolarHBondContact O-N 2.89Å; A527-R531 WeakPolarHBondContact O-CB 3.42Å; A527-R531 PolarHBondContact O-N 3.2Å
528E86.4Confident84.7Confident39 Ų3932 Ų3218%0.18218%0.18CC..Hα-helixtrans-65.3-39.8174.4-71.6-59.8159.300112.5G524 L525 V526 R530 R531 L532 A652 V653G524-E528 WeakPolarHBondContact O-CG 3.38Å; G524-E528 PolarHBondContact O-N 2.93Å; L525-E528 PolarHBondContact O-N 3.49Å; V526-E528 VanDerWaalsContact C-N 3.35Å; V526-E528 PolarHBondContact O-N 3.02Å; E528-R530 PolarHBondContact O-N 3.41Å; E528-R531 WeakPolarHBondContact O-CB 3.3Å; E528-R531 PolarHBondContact O-N 3.28Å; E528-R531 IonicContact OE1-CZ 3.58Å; E528-R531 IonicContact OE1-NE 3.01Å; E528-R531 IonicContact OE1-NH2 2.79Å; E528-R531 PolarHBondContact OE1-NH2 3.14Å; E528-R531 IonicContact OE2-CZ 2.64Å; E528-R531 IonicContact OE2-NE 2.73Å; E528-R531 PolarHBondContact OE2-NE 3.47Å; E528-R531 IonicContact OE2-NH2 3.05Å; E528-R531 PolarHBondContact OE2-NH2 3.3Å; E528-L532 PolarHBondContact O-N 3.37Å; E528-A652 HydrophobicContact CG-CB 3.99Å; E528-V653 HydrophobicContact CB-CG2 3.98Å; E528-V653 HydrophobicContact CG-CG2 4.48Å
529G89.4Confident84.1Confident0 Ų036.8 Ų36.80%021%0.21CC..Hα-helixtrans-60.7-42.7174.400000112.7L525 V526 L532 A533 L544 M590L525-G529 PolarHBondContact O-N 3.45Å; V526-G529 PolarHBondContact O-N 3.07Å; G529-L532 PolarHBondContact O-N 3.43Å; G529-A533 WeakPolarHBondContact O-CB 3.39Å; G529-A533 PolarHBondContact O-N 2.87Å; G529-L544 WeakPolarHBondContact O-CD2 3.27Å; G529-M590 WeakPolarHBondContact CA-SD 3.29Å; G529-M590 PolarHBondContact N-SD 3.46Å; G529-M590 VanDerWaalsContact N-SD 3.41Å
530R85.2Confident83.6Confident66 Ų6640.9 Ų40.925%0.24923%0.225CC..Hα-helixtrans-64.8-41.9173.7-68.8179.1-173.6-140.4-2.2112.1V526 A527 E528 L532 A533 N534 M545 C548 E552V526-R530 WeakPolarHBondContact O-CG 3.13Å; V526-R530 PolarHBondContact O-N 3.17Å; A527-R530 PolarHBondContact O-N 2.89Å; E528-R530 PolarHBondContact O-N 3.41Å; R530-L532 VanDerWaalsContact C-N 3.32Å; R530-L532 PolarHBondContact O-N 3.33Å; R530-A533 PolarHBondContact O-N 2.9Å; R530-N534 VanDerWaalsContact O-CG 3.32Å; R530-N534 PolarHBondContact O-N 3.39Å; R530-N534 PolarHBondContact O-ND2 3.49Å; R530-M545 HydrophobicContact CB-SD 4.25Å; R530-M545 HydrophobicContact CG-CE 4.31Å; R530-M545 HydrophobicContact CG-SD 3.9Å; R530-C548 HydrophobicContact CG-CB 4.21Å; R530-E552 IonicContact CZ-OE2 3.9Å; R530-E552 IonicContact NH2-OE2 3.57Å; R530-E552 PolarHBondContact NH2-OE2 2.94Å
531R81.8Confident83.3Confident40 Ų4042.2 Ų42.215%0.15123%0.228CC..Hα-helixtrans-60.2-41.2177-172174.673.9140.4-7.5111.8A527 E528 E648 K649A527-R531 WeakPolarHBondContact O-CB 3.42Å; A527-R531 PolarHBondContact O-N 3.2Å; E528-R531 WeakPolarHBondContact O-CB 3.3Å; E528-R531 PolarHBondContact O-N 3.28Å; E528-R531 IonicContact OE1-CZ 3.58Å; E528-R531 IonicContact OE1-NE 3.01Å; E528-R531 IonicContact OE1-NH2 2.79Å; E528-R531 PolarHBondContact OE1-NH2 3.14Å; E528-R531 IonicContact OE2-CZ 2.64Å; E528-R531 IonicContact OE2-NE 2.73Å; E528-R531 PolarHBondContact OE2-NE 3.47Å; E528-R531 IonicContact OE2-NH2 3.05Å; E528-R531 PolarHBondContact OE2-NH2 3.3Å; R531-E648 PolarHBondContact NH2-O 3.26Å; R531-K649 VanDerWaalsContact NH2-CA 3.27Å
532L84.4Confident82.9Confident0 Ų049.4 Ų49.40%026%0.261CS..Hα-helixtrans-67.4-47.4173.2-78.6168.1000111.5E528 G529 R530 N534 A535 L544 M590 M594 K649 V653E528-L532 PolarHBondContact O-N 3.37Å; G529-L532 PolarHBondContact O-N 3.43Å; R530-L532 VanDerWaalsContact C-N 3.32Å; R530-L532 PolarHBondContact O-N 3.33Å; L532-N534 PolarHBondContact O-N 3.49Å; L532-A535 PolarHBondContact O-N 3.11Å; L532-L544 HydrophobicContact CB-CD2 3.94Å; L532-M590 HydrophobicContact CD1-CB 3.78Å; L532-M590 HydrophobicContact CD1-CG 4.12Å; L532-M594 HydrophobicContact CD1-CB 4.32Å; L532-M594 HydrophobicContact CD2-CB 3.99Å; L532-K649 HydrophobicContact CD2-CB 4.23Å; L532-K649 HydrophobicContact CD2-CD 3.85Å; L532-K649 HydrophobicContact CD2-CG 4.24Å; L532-V653 HydrophobicContact CD1-CB 4.38Å; L532-V653 HydrophobicContact CD1-CG1 4.04Å; L532-V653 HydrophobicContact CD1-CG2 3.91Å
533A83.8Confident82.6Confident0 Ų053.3 Ų53.30%028%0.28CS..Hα-helixtrans-57.7-36-179.500000112.8G529 R530 A535 L536 R541 L544 M545G529-A533 WeakPolarHBondContact O-CB 3.39Å; G529-A533 PolarHBondContact O-N 2.87Å; R530-A533 PolarHBondContact O-N 2.9Å; A533-A535 PolarHBondContact O-N 2.93Å; A533-L536 PolarHBondContact O-N 3.43Å; A533-R541 HydrophobicContact CB-CG 4.34Å; A533-R541 WeakPolarHBondContact O-CB 3.19Å; A533-R541 WeakPolarHBondContact O-CD 3.43Å; A533-R541 VanDerWaalsContact O-CG 3.27Å; A533-R541 WeakPolarHBondContact O-CG 3.43Å; A533-L544 HydrophobicContact CB-CB 4.01Å; A533-L544 HydrophobicContact CB-CD2 3.85Å; A533-L544 HydrophobicContact CB-CG 3.94Å; A533-M545 HydrophobicContact CB-CG 3.82Å; A533-M545 HydrophobicContact CB-SD 3.83Å
534N76.6Confident82.7Confident43 Ų4350.3 Ų50.323%0.2327%0.268CS..THydrogen-bonded Turntrans-61.8-23.5177.4-76.7-23.9000113.7D307 R530 L532 R541D307-N534 PolarHBondContact OD2-ND2 3.33Å; R530-N534 VanDerWaalsContact O-CG 3.32Å; R530-N534 PolarHBondContact O-N 3.39Å; R530-N534 PolarHBondContact O-ND2 3.49Å; L532-N534 PolarHBondContact O-N 3.49Å; N534-R541 PolarHBondContact OD1-NH2 2.96Å; N534-R541 VanDerWaalsContact OD1-NH2 3.09Å
535A72.4Confident82.6Confident55 Ų5551 Ų5146%0.45527%0.267SS..THydrogen-bonded Turntrans-90.8-10.3175.800000113.7L532 A533L532-A535 PolarHBondContact O-N 3.11Å; A533-A535 PolarHBondContact O-N 2.93Å
536L73.3Confident82.6Confident35 Ų3552.3 Ų52.318%0.18328%0.282CS..SBendtrans-89.2156.7-179.4-60177.3000112.2A533 R541 L544 A593A533-L536 PolarHBondContact O-N 3.43Å; L536-R541 HydrophobicContact CB-CB 4.2Å; L536-L544 HydrophobicContact CD1-CD2 3.94Å; L536-A593 HydrophobicContact CD1-CB 3.88Å; L536-A593 HydrophobicContact CD2-CB 4.23Å
537Q75.4Confident82.8Confident146 Ų14653.9 Ų53.968%0.68229%0.288SS*.  trans-95.5136.4-179.9-63.2-174.85.600112.6P539 Y540Q537-P539 WeakPolarHBondContact O-CD 3.44Å; Q537-Y540 PolarHBondContact O-N 2.99Å
538G73.6Confident83.1Confident33 Ų3351.3 Ų51.334%0.3427%0.267SS..Hα-helixtrans46.4-110.4164.500000115.4Y540 R541 Q542G538-Y540 PolarHBondContact O-N 3.36Å; G538-R541 PolarHBondContact O-N 2.9Å; G538-Q542 PolarHBondContact O-N 2.86Å
539P77.9Confident83.4Confident99 Ų9953.9 Ų53.964%0.64328%0.279SS*.Hα-helixtrans-60.8-41.9-174.1-21.131.8000113.9Q537 R541 Q542 E543Q537-P539 WeakPolarHBondContact O-CD 3.44Å; P539-R541 VanDerWaalsContact C-N 3.29Å; P539-R541 PolarHBondContact O-N 3.39Å; P539-Q542 PolarHBondContact O-N 2.94Å; P539-E543 PolarHBondContact O-N 2.9Å
540Y78.3Confident83.7Confident140 Ų14058.7 Ų58.755%0.54930%0.301SS..Hα-helixtrans-66.3-33.1-177.7-61.5-75.2000112.3Q537 G538 L544Q537-Y540 PolarHBondContact O-N 2.99Å; G538-Y540 PolarHBondContact O-N 3.36Å; Y540-L544 PolarHBondContact O-N 3.25Å; Y540-L544 VanDerWaalsContact O-N 3.17Å
541R81.4Confident84.2Confident37 Ų3755.5 Ų55.514%0.1429%0.289CS..Hα-helixtrans-65.6-48172.9171.8173.1177.3151.4-1.4111.1R303 A533 N534 L536 G538 P539 E543 L544 M545R303-R541 VanDerWaalsContact CZ-NH2 3.31Å; A533-R541 HydrophobicContact CB-CG 4.34Å; A533-R541 WeakPolarHBondContact O-CB 3.19Å; A533-R541 WeakPolarHBondContact O-CD 3.43Å; A533-R541 VanDerWaalsContact O-CG 3.27Å; A533-R541 WeakPolarHBondContact O-CG 3.43Å; N534-R541 PolarHBondContact OD1-NH2 2.96Å; N534-R541 VanDerWaalsContact OD1-NH2 3.09Å; L536-R541 HydrophobicContact CB-CB 4.2Å; G538-R541 PolarHBondContact O-N 2.9Å; P539-R541 VanDerWaalsContact C-N 3.29Å; P539-R541 PolarHBondContact O-N 3.39Å; R541-E543 VanDerWaalsContact C-N 3.33Å; R541-E543 PolarHBondContact O-N 3.28Å; R541-L544 PolarHBondContact O-N 3.19Å; R541-M545 HydrophobicContact CG-CG 4.22Å; R541-M545 WeakPolarHBondContact O-CB 3.48Å; R541-M545 WeakPolarHBondContact O-CG 3.3Å; R541-M545 PolarHBondContact O-N 2.57Å
542Q82.7Confident84.7Confident150 Ų15056.2 Ų56.270%0.70129%0.294SS*.Hα-helixtrans-63.4-40.2-179.6-72-178.5-18.700111.8G538 P539 M545 G546G538-Q542 PolarHBondContact O-N 2.86Å; P539-Q542 PolarHBondContact O-N 2.94Å; Q542-M545 PolarHBondContact O-N 2.79Å; Q542-G546 PolarHBondContact O-N 2.89Å
543E88.4Confident85.2Confident83 Ų8361.7 Ų61.739%0.38832%0.32SS..Hα-helixtrans-58.8-52175.5-171.2-166.916500111.6P539 R541 G546 K547 K589P539-E543 PolarHBondContact O-N 2.9Å; R541-E543 VanDerWaalsContact C-N 3.33Å; R541-E543 PolarHBondContact O-N 3.28Å; E543-G546 PolarHBondContact O-N 3.44Å; E543-K547 PolarHBondContact O-N 2.72Å; E543-K547 VanDerWaalsContact O-N 3.11Å; E543-K589 WeakPolarHBondContact OE1-CE 3.36Å; E543-K589 IonicContact OE1-NZ 3.36Å; E543-K589 WeakPolarHBondContact OE2-CE 3.45Å; E543-K589 IonicContact OE2-NZ 2.68Å
544L89.4Confident85.8Confident0 Ų062.2 Ų62.20%032%0.323CS..Hα-helixtrans-67.4-38.7-179-175.556.1000112.2G529 L532 A533 L536 Y540 R541 G546 K547 C548 L586 K589 M590 A593G529-L544 WeakPolarHBondContact O-CD2 3.27Å; L532-L544 HydrophobicContact CB-CD2 3.94Å; A533-L544 HydrophobicContact CB-CB 4.01Å; A533-L544 HydrophobicContact CB-CD2 3.85Å; A533-L544 HydrophobicContact CB-CG 3.94Å; L536-L544 HydrophobicContact CD1-CD2 3.94Å; Y540-L544 PolarHBondContact O-N 3.25Å; Y540-L544 VanDerWaalsContact O-N 3.17Å; R541-L544 PolarHBondContact O-N 3.19Å; L544-G546 VanDerWaalsContact C-N 3.34Å; L544-G546 PolarHBondContact O-N 3.24Å; L544-K547 PolarHBondContact O-N 3.27Å; L544-C548 PolarHBondContact O-N 3.05Å; L544-C548 PolarHBondContact O-SG 2.99Å; L544-C548 VanDerWaalsContact O-SG 3.37Å; L544-L586 HydrophobicContact CD1-CD1 3.69Å; L544-K589 HydrophobicContact CD1-CB 4.17Å; L544-K589 HydrophobicContact CD1-CG 4.01Å; L544-M590 HydrophobicContact CD1-CG 4Å; L544-A593 HydrophobicContact CD2-CB 4.49Å
545M87.4Confident86.7Confident35 Ų3561 Ų6117%0.17232%0.316CS..Hα-helixtrans-61.5-41.6173.2-72-65.7-66.700111.8R530 A533 R541 Q542 K547 C548 E549R530-M545 HydrophobicContact CB-SD 4.25Å; R530-M545 HydrophobicContact CG-CE 4.31Å; R530-M545 HydrophobicContact CG-SD 3.9Å; A533-M545 HydrophobicContact CB-CG 3.82Å; A533-M545 HydrophobicContact CB-SD 3.83Å; R541-M545 HydrophobicContact CG-CG 4.22Å; R541-M545 WeakPolarHBondContact O-CB 3.48Å; R541-M545 WeakPolarHBondContact O-CG 3.3Å; R541-M545 PolarHBondContact O-N 2.57Å; Q542-M545 PolarHBondContact O-N 2.79Å; M545-K547 PolarHBondContact O-N 3.46Å; M545-C548 WeakPolarHBondContact O-CB 3.33Å; M545-C548 PolarHBondContact O-N 3.3Å; M545-E549 WeakPolarHBondContact O-CG 3.41Å; M545-E549 PolarHBondContact O-N 2.88Å
546G90.6Very high87.7Confident35 Ų3561 Ų6136%0.36132%0.316SS..Hα-helixtrans-61.2-43.6176.800000112.7Q542 E543 L544 C548 E549 Q550Q542-G546 PolarHBondContact O-N 2.89Å; E543-G546 PolarHBondContact O-N 3.44Å; L544-G546 VanDerWaalsContact C-N 3.34Å; L544-G546 PolarHBondContact O-N 3.24Å; G546-C548 PolarHBondContact O-N 3.45Å; G546-E549 PolarHBondContact O-N 3.22Å; G546-Q550 WeakPolarHBondContact O-CB 3.49Å; G546-Q550 PolarHBondContact O-N 3.45Å
547K94.3Very high88.7Confident42 Ų4263.7 Ų63.718%0.18333%0.328CS..Hα-helixtrans-62.4-41.8174.2-67.6-161.5179.3-149.10112.1E543 L544 M545 E549 Q550 V551 D585 L586 K589E543-K547 PolarHBondContact O-N 2.72Å; E543-K547 VanDerWaalsContact O-N 3.11Å; L544-K547 PolarHBondContact O-N 3.27Å; M545-K547 PolarHBondContact O-N 3.46Å; K547-E549 PolarHBondContact O-N 3.15Å; K547-Q550 PolarHBondContact O-N 3.47Å; K547-V551 WeakPolarHBondContact O-CG2 3.45Å; K547-V551 PolarHBondContact O-N 3Å; K547-V551 VanDerWaalsContact O-N 3.07Å; K547-D585 HydrophobicContact CD-CB 4.45Å; K547-D585 IonicContact NZ-OD2 3.18Å; K547-D585 PolarHBondContact NZ-OD2 2.98Å; K547-L586 HydrophobicContact CB-CD1 4.09Å; K547-K589 HydrophobicContact CD-CB 4.35Å
548C93Very high89.6Confident0 Ų056.8 Ų56.80%030%0.295CS..Hα-helixtrans-59.1-44174.8-77.40000112.6V526 R530 L544 M545 G546 E552V526-C548 HydrophobicContact CG1-CB 4Å; R530-C548 HydrophobicContact CG-CB 4.21Å; L544-C548 PolarHBondContact O-N 3.05Å; L544-C548 PolarHBondContact O-SG 2.99Å; L544-C548 VanDerWaalsContact O-SG 3.37Å; M545-C548 WeakPolarHBondContact O-CB 3.33Å; M545-C548 PolarHBondContact O-N 3.3Å; G546-C548 PolarHBondContact O-N 3.45Å; C548-E552 PolarHBondContact O-N 3.27Å; C548-E552 VanDerWaalsContact O-N 3.1Å
549E91.3Very high90.4Very high92 Ų9256.2 Ų56.243%0.4329%0.287SS..Hα-helixtrans-67-41.8178-73.1174.8-171.300112.1M545 G546 K547 V551 E552 Q553M545-E549 WeakPolarHBondContact O-CG 3.41Å; M545-E549 PolarHBondContact O-N 2.88Å; G546-E549 PolarHBondContact O-N 3.22Å; K547-E549 PolarHBondContact O-N 3.15Å; E549-V551 PolarHBondContact O-N 2.9Å; E549-E552 PolarHBondContact O-N 3.12Å; E549-Q553 WeakPolarHBondContact O-CB 3.37Å; E549-Q553 VanDerWaalsContact O-CG 3.26Å; E549-Q553 WeakPolarHBondContact O-CG 3.32Å; E549-Q553 PolarHBondContact O-N 3.39Å
550Q95.7Very high91.1Very high101 Ų10155 Ų5547%0.47228%0.275SS..Hα-helixtrans-58.9-47.2176.4-174.7-177.519.500111.6G546 K547 Q553 L554G546-Q550 WeakPolarHBondContact O-CB 3.49Å; G546-Q550 PolarHBondContact O-N 3.45Å; K547-Q550 PolarHBondContact O-N 3.47Å; Q550-Q553 PolarHBondContact O-N 2.95Å; Q550-L554 HydrophobicContact CG-CD1 4.03Å; Q550-L554 WeakPolarHBondContact O-CG 3.48Å; Q550-L554 PolarHBondContact O-N 3.25Å
551V96.7Very high91.7Very high0 Ų048.9 Ų48.90%025%0.252CS..Hα-helixtrans-62.1-44.6177.1169.10000111.3I522 V526 K547 E549 Q553 L554 M555 L579 A582 L583 L586I522-V551 HydrophobicContact CG2-CG1 3.63Å; V526-V551 HydrophobicContact CG2-CB 4.08Å; V526-V551 HydrophobicContact CG2-CG1 3.64Å; K547-V551 WeakPolarHBondContact O-CG2 3.45Å; K547-V551 PolarHBondContact O-N 3Å; K547-V551 VanDerWaalsContact O-N 3.07Å; E549-V551 PolarHBondContact O-N 2.9Å; V551-Q553 VanDerWaalsContact C-N 3.33Å; V551-Q553 PolarHBondContact O-N 3.16Å; V551-L554 PolarHBondContact O-N 2.97Å; V551-M555 VanDerWaalsContact O-CB 3.32Å; V551-M555 WeakPolarHBondContact O-CB 3.44Å; V551-M555 PolarHBondContact O-N 3.12Å; V551-L579 HydrophobicContact CG1-CD1 4.01Å; V551-A582 HydrophobicContact CG2-CB 3.82Å; V551-L583 HydrophobicContact CG1-CD2 3.56Å; V551-L583 HydrophobicContact CG1-CG 4.12Å; V551-L583 HydrophobicContact CG2-CD2 4.32Å; V551-L583 HydrophobicContact CG2-CG 4.45Å; V551-L586 HydrophobicContact CB-CD2 4.33Å; V551-L586 HydrophobicContact CG1-CD2 4.45Å; V551-L586 HydrophobicContact CG2-CB 4.3Å; V551-L586 HydrophobicContact CG2-CD2 3.97Å
552E92.6Very high92.1Very high54 Ų5448 Ų4825%0.25225%0.253SS..Hα-helixtrans-61.9-41.3178.5-168.8-174.8167.100111.6K329 R530 C548 E549 M555 A556K329-E552 IonicContact NZ-OE1 3.78Å; K329-E552 PolarHBondContact NZ-OE1 3.4Å; R530-E552 IonicContact CZ-OE2 3.9Å; R530-E552 IonicContact NH2-OE2 3.57Å; R530-E552 PolarHBondContact NH2-OE2 2.94Å; C548-E552 PolarHBondContact O-N 3.27Å; C548-E552 VanDerWaalsContact O-N 3.1Å; E549-E552 PolarHBondContact O-N 3.12Å; E552-M555 HydrophobicContact CG-CE 4.17Å; E552-A556 WeakPolarHBondContact O-CB 3.48Å; E552-A556 PolarHBondContact O-N 2.94Å
553Q93.9Very high92.3Very high116 Ų11645.1 Ų45.154%0.54226%0.255SS..Hα-helixtrans-65.4-48.3178.2-73.5175.315.900112.2E549 Q550 V551 A556 Q557E549-Q553 WeakPolarHBondContact O-CB 3.37Å; E549-Q553 VanDerWaalsContact O-CG 3.26Å; E549-Q553 WeakPolarHBondContact O-CG 3.32Å; E549-Q553 PolarHBondContact O-N 3.39Å; Q550-Q553 PolarHBondContact O-N 2.95Å; V551-Q553 VanDerWaalsContact C-N 3.33Å; V551-Q553 PolarHBondContact O-N 3.16Å; Q553-A556 PolarHBondContact O-N 3.4Å; Q553-Q557 VanDerWaalsContact O-CG 3.32Å; Q553-Q557 WeakPolarHBondContact O-CG 3.22Å; Q553-Q557 PolarHBondContact O-N 2.98Å
554L96.8Very high92.5Very high11 Ų1148.8 Ų48.86%0.05827%0.265CS..Hα-helixtrans-64.6-40.4179.8-72169.7000111.7Q550 V551 Q557 L558 V575 Q578 L579 A582Q550-L554 HydrophobicContact CG-CD1 4.03Å; Q550-L554 WeakPolarHBondContact O-CG 3.48Å; Q550-L554 PolarHBondContact O-N 3.25Å; V551-L554 PolarHBondContact O-N 2.97Å; L554-Q557 PolarHBondContact O-N 3.45Å; L554-L558 PolarHBondContact O-N 3.31Å; L554-V575 HydrophobicContact CD2-CG1 4.18Å; L554-Q578 HydrophobicContact CD1-CB 4.13Å; L554-Q578 HydrophobicContact CD2-CB 4.17Å; L554-L579 HydrophobicContact CB-CB 4.03Å; L554-L579 HydrophobicContact CB-CD1 3.88Å; L554-L579 HydrophobicContact CB-CG 4.4Å; L554-A582 HydrophobicContact CD1-CB 4.05Å
555M95.5Very high92.4Very high16 Ų1652 Ų528%0.07930%0.297CS..Hα-helixtrans-60.2-46.4172.8175.5-156.456.900111.4W506 Q519 I522 R523 V551 E552 Q557 L558 A559 L579W506-M555 HydrophobicContact CH2-CG 4Å; W506-M555 HydrophobicContact CZ3-CG 3.92Å; Q519-M555 HydrophobicContact CB-SD 4.42Å; I522-M555 HydrophobicContact CB-CG 4.47Å; I522-M555 HydrophobicContact CB-SD 3.86Å; I522-M555 HydrophobicContact CD1-CB 4.4Å; I522-M555 HydrophobicContact CD1-CG 4.01Å; I522-M555 HydrophobicContact CD1-SD 4.47Å; I522-M555 HydrophobicContact CG2-CB 4.12Å; I522-M555 HydrophobicContact CG2-CG 4.1Å; I522-M555 HydrophobicContact CG2-SD 3.61Å; R523-M555 HydrophobicContact CG-CE 4.25Å; R523-M555 HydrophobicContact CG-SD 4.16Å; V551-M555 VanDerWaalsContact O-CB 3.32Å; V551-M555 WeakPolarHBondContact O-CB 3.44Å; V551-M555 PolarHBondContact O-N 3.12Å; E552-M555 HydrophobicContact CG-CE 4.17Å; M555-Q557 VanDerWaalsContact C-N 3.32Å; M555-Q557 PolarHBondContact O-N 3.47Å; M555-L558 PolarHBondContact O-N 3Å; M555-A559 WeakPolarHBondContact O-CB 3.45Å; M555-A559 PolarHBondContact O-N 2.97Å; M555-L579 HydrophobicContact CB-CD1 4.45Å; M555-L579 HydrophobicContact CB-CD2 4.23Å
556A92.6Very high92.5Very high55 Ų5554.3 Ų54.346%0.45531%0.308SS..Hα-helixtrans-63-38.9179.100000112.2E552 Q553 A559 D560E552-A556 WeakPolarHBondContact O-CB 3.48Å; E552-A556 PolarHBondContact O-N 2.94Å; Q553-A556 PolarHBondContact O-N 3.4Å; A556-A559 PolarHBondContact O-N 3.12Å; A556-D560 WeakPolarHBondContact O-CB 3.27Å; A556-D560 PolarHBondContact O-N 3.5Å
557Q94.4Very high92.2Very high93 Ų9352.8 Ų52.844%0.43529%0.292SS..Hα-helixtrans-63.6-47.3175.4-71.617436.300111.9Q553 L554 M555 A559 D560 L561 V575Q553-Q557 VanDerWaalsContact O-CG 3.32Å; Q553-Q557 WeakPolarHBondContact O-CG 3.22Å; Q553-Q557 PolarHBondContact O-N 2.98Å; L554-Q557 PolarHBondContact O-N 3.45Å; M555-Q557 VanDerWaalsContact C-N 3.32Å; M555-Q557 PolarHBondContact O-N 3.47Å; Q557-A559 VanDerWaalsContact C-N 3.33Å; Q557-A559 PolarHBondContact O-N 2.98Å; Q557-D560 PolarHBondContact O-N 3.5Å; Q557-L561 WeakPolarHBondContact O-CG 3.39Å; Q557-L561 PolarHBondContact O-N 3.22Å; Q557-V575 HydrophobicContact CB-CG1 4.18Å
558L94.3Very high91.8Very high0 Ų055.4 Ų55.40%031%0.308CS..Hα-helixtrans-64.4-39.2178.4-173.560.8000111.8W506 I507 P510 L554 M555 L561 A562 A572 V575 A576 L579W506-L558 HydrophobicContact CE3-CD2 4.47Å; W506-L558 HydrophobicContact CH2-CB 3.9Å; W506-L558 HydrophobicContact CH2-CD2 3.91Å; W506-L558 HydrophobicContact CH2-CG 3.97Å; W506-L558 HydrophobicContact CZ2-CD2 4.48Å; W506-L558 HydrophobicContact CZ2-CG 4.34Å; W506-L558 HydrophobicContact CZ3-CD2 3.89Å; W506-L558 HydrophobicContact CZ3-CG 4.46Å; I507-L558 HydrophobicContact CG1-CD2 4.49Å; P510-L558 HydrophobicContact CB-CD1 4.32Å; P510-L558 HydrophobicContact CB-CD2 4.36Å; P510-L558 HydrophobicContact CB-CG 4.14Å; P510-L558 HydrophobicContact CG-CD1 4.17Å; L554-L558 PolarHBondContact O-N 3.31Å; M555-L558 PolarHBondContact O-N 3Å; L558-L561 PolarHBondContact O-N 3.31Å; L558-A562 WeakPolarHBondContact O-CB 3.44Å; L558-A562 PolarHBondContact O-N 3.46Å; L558-A572 HydrophobicContact CD1-CB 4.05Å; L558-V575 HydrophobicContact CB-CG1 3.99Å; L558-A576 HydrophobicContact CD1-CB 4.43Å; L558-A576 HydrophobicContact CD2-CB 4.13Å; L558-L579 HydrophobicContact CD2-CD2 4.16Å
559A91.4Very high91.6Very high21 Ų2157.4 Ų57.417%0.17432%0.321CS..Hα-helixtrans-64.8-40176.800000112.8W506 M555 A556 Q557 A562 A563W506-A559 HydrophobicContact CH2-CB 4.18Å; W506-A559 HydrophobicContact CZ2-CB 3.95Å; M555-A559 WeakPolarHBondContact O-CB 3.45Å; M555-A559 PolarHBondContact O-N 2.97Å; A556-A559 PolarHBondContact O-N 3.12Å; Q557-A559 VanDerWaalsContact C-N 3.33Å; Q557-A559 PolarHBondContact O-N 2.98Å; A559-A562 PolarHBondContact O-N 3.04Å; A559-A563 VanDerWaalsContact O-CB 3.3Å; A559-A563 WeakPolarHBondContact O-CB 3.47Å; A559-A563 PolarHBondContact O-N 3.4Å
560D91.8Very high91.6Very high73 Ų7358.3 Ų58.339%0.3933%0.334SS..Hα-helixtrans-67-42.8175.7178.554.6000111.7A556 Q557 A562 A563 R564A556-D560 WeakPolarHBondContact O-CB 3.27Å; A556-D560 PolarHBondContact O-N 3.5Å; Q557-D560 PolarHBondContact O-N 3.5Å; D560-A562 PolarHBondContact O-N 3.3Å; D560-A563 PolarHBondContact O-N 3.36Å; D560-R564 VanDerWaalsContact CG-NH2 3.29Å; D560-R564 VanDerWaalsContact O-CG 3.31Å; D560-R564 WeakPolarHBondContact O-CG 3.19Å; D560-R564 PolarHBondContact O-N 2.85Å; D560-R564 VanDerWaalsContact O-N 3.14Å; D560-R564 IonicContact OD1-CZ 2.85Å; D560-R564 IonicContact OD1-NE 2.75Å; D560-R564 PolarHBondContact OD1-NE 2.95Å; D560-R564 IonicContact OD1-NH2 3.7Å; D560-R564 PolarHBondContact OD1-NH2 3.16Å; D560-R564 IonicContact OD2-CZ 3.72Å; D560-R564 IonicContact OD2-NE 3.39Å; D560-R564 PolarHBondContact OD2-NE 2.9Å; D560-R564 IonicContact OD2-NH1 3.24Å; D560-R564 IonicContact OD2-NH2 2.84Å; D560-R564 PolarHBondContact OD2-NH2 3.29Å
561L91.1Very high91.5Very high12 Ų1259.2 Ų59.26%0.06334%0.338CS..Hα-helixtrans-59.5-46.6173.6-71.3170.4000111.5Q557 L558 R564 G565 E566 Q571 A572 V575Q557-L561 WeakPolarHBondContact O-CG 3.39Å; Q557-L561 PolarHBondContact O-N 3.22Å; L558-L561 PolarHBondContact O-N 3.31Å; L561-R564 PolarHBondContact O-N 3.27Å; L561-G565 PolarHBondContact O-N 3.45Å; L561-E566 HydrophobicContact CD2-CB 4.36Å; L561-E566 CarbonylContact O-C 3.44Å; L561-E566 WeakPolarHBondContact O-CA 3.3Å; L561-E566 WeakPolarHBondContact O-CB 3.47Å; L561-E566 PolarHBondContact O-N 3.27Å; L561-Q571 HydrophobicContact CD1-CG 4.2Å; L561-A572 HydrophobicContact CB-CB 4.47Å; L561-A572 HydrophobicContact CD1-CB 4.09Å; L561-V575 HydrophobicContact CD1-CG2 4.38Å
562A89.4Confident91.2Very high19 Ų1959.2 Ų59.216%0.15734%0.339CS..Hα-helixtrans-62.5-43.6177.700000112.5P510 L558 A559 D560 R564 G565P510-A562 HydrophobicContact CB-CB 4.05Å; P510-A562 WeakPolarHBondContact O-CB 3.47Å; L558-A562 WeakPolarHBondContact O-CB 3.44Å; L558-A562 PolarHBondContact O-N 3.46Å; A559-A562 PolarHBondContact O-N 3.04Å; D560-A562 PolarHBondContact O-N 3.3Å; A562-R564 PolarHBondContact O-N 3.45Å; A562-G565 PolarHBondContact O-N 2.92Å
563A88.6Confident91.1Very high89 Ų8964.7 Ų64.774%0.73636%0.357SS*.Hα-helixtrans-63.1-26.4178.700000113.3A559 D560 G565A559-A563 VanDerWaalsContact O-CB 3.3Å; A559-A563 WeakPolarHBondContact O-CB 3.47Å; A559-A563 PolarHBondContact O-N 3.4Å; D560-A563 PolarHBondContact O-N 3.36Å; A563-G565 VanDerWaalsContact C-N 3.3Å
564R91Very high91.1Very high161 Ų16161.3 Ų61.361%0.60835%0.349SS*.THydrogen-bonded Turntrans-83.6-2.3174-66172.7-167.6-163.64.4113.7D560 L561 A562 E566D560-R564 VanDerWaalsContact CG-NH2 3.29Å; D560-R564 VanDerWaalsContact O-CG 3.31Å; D560-R564 WeakPolarHBondContact O-CG 3.19Å; D560-R564 PolarHBondContact O-N 2.85Å; D560-R564 VanDerWaalsContact O-N 3.14Å; D560-R564 IonicContact OD1-CZ 2.85Å; D560-R564 IonicContact OD1-NE 2.75Å; D560-R564 PolarHBondContact OD1-NE 2.95Å; D560-R564 IonicContact OD1-NH2 3.7Å; D560-R564 PolarHBondContact OD1-NH2 3.16Å; D560-R564 IonicContact OD2-CZ 3.72Å; D560-R564 IonicContact OD2-NE 3.39Å; D560-R564 PolarHBondContact OD2-NE 2.9Å; D560-R564 IonicContact OD2-NH1 3.24Å; D560-R564 IonicContact OD2-NH2 2.84Å; D560-R564 PolarHBondContact OD2-NH2 3.29Å; L561-R564 PolarHBondContact O-N 3.27Å; A562-R564 PolarHBondContact O-N 3.45Å; R564-E566 VanDerWaalsContact C-N 3.33Å; R564-E566 HydrophobicContact CB-CG 4.4Å
565G87.8Confident91.1Very high66 Ų6661.2 Ų61.268%0.6835%0.349SS*.THydrogen-bonded Turntrans80.212.4-173.500000113.9L561 A562 A563L561-G565 PolarHBondContact O-N 3.45Å; A562-G565 PolarHBondContact O-N 2.92Å; A563-G565 VanDerWaalsContact C-N 3.3Å
566E89.1Confident91Very high84 Ų8461 Ų6139%0.39335%0.35SS..  trans-100.816.7-178-65.5179.1-165.400112.8L561 R564 D568 T569 A572L561-E566 HydrophobicContact CD2-CB 4.36Å; L561-E566 CarbonylContact O-C 3.44Å; L561-E566 WeakPolarHBondContact O-CA 3.3Å; L561-E566 WeakPolarHBondContact O-CB 3.47Å; L561-E566 PolarHBondContact O-N 3.27Å; R564-E566 VanDerWaalsContact C-N 3.33Å; R564-E566 HydrophobicContact CB-CG 4.4Å; E566-D568 PolarHBondContact O-N 2.99Å; E566-D568 VanDerWaalsContact O-N 3.16Å; E566-T569 HydrophobicContact CB-CG2 3.83Å; E566-T569 HydrophobicContact CG-CG2 4.36Å; E566-T569 WeakPolarHBondContact O-CB 3.48Å; E566-T569 VanDerWaalsContact O-CG2 3.29Å; E566-T569 WeakPolarHBondContact O-CG2 3.5Å; E566-T569 PolarHBondContact O-N 3.24Å; E566-T569 PolarHBondContact O-OG1 2.74Å; E566-A572 WeakPolarHBondContact O-CB 3.35Å
567G84.3Confident91.1Very high3 Ų363.9 Ų63.93%0.03135%0.354CS..THydrogen-bonded Turntrans-64.7-17.1-174.600000115.7P510 A572P510-G567 WeakPolarHBondContact CG-O 3.29Å; G567-A572 WeakPolarHBondContact O-CB 3.47Å
568D86Confident91.2Very high98 Ų9864.5 Ų64.552%0.52436%0.357SS..THydrogen-bonded Turntrans-103.72.9179.3-67.7-45.1000113.9E566 R573E566-D568 PolarHBondContact O-N 2.99Å; E566-D568 VanDerWaalsContact O-N 3.16Å; D568-R573 PolarHBondContact O-NE 3.32Å
569T89.8Confident91.3Very high42 Ų4264.5 Ų64.526%0.25836%0.357SS..SBendtrans-66.9156.8-178.859.80000112.1E566 Q571 A572 R573E566-T569 HydrophobicContact CB-CG2 3.83Å; E566-T569 HydrophobicContact CG-CG2 4.36Å; E566-T569 WeakPolarHBondContact O-CB 3.48Å; E566-T569 VanDerWaalsContact O-CG2 3.29Å; E566-T569 WeakPolarHBondContact O-CG2 3.5Å; E566-T569 PolarHBondContact O-N 3.24Å; E566-T569 PolarHBondContact O-OG1 2.74Å; T569-Q571 PolarHBondContact O-N 3.24Å; T569-A572 PolarHBondContact O-N 3.07Å; T569-A572 WeakPolarHBondContact OG1-CB 3.36Å; T569-A572 PolarHBondContact OG1-N 3.39Å; T569-A572 VanDerWaalsContact OG1-N 3.14Å; T569-R573 WeakPolarHBondContact O-CG 3.41Å; T569-R573 PolarHBondContact O-N 3.31Å
570P91.8Very high91.4Very high110 Ų11067.5 Ų67.571%0.71437%0.367SS*.Hα-helixtrans-54.8-33.1172.3-2634.8000113.1A574P570-A574 WeakPolarHBondContact O-CB 3.33Å; P570-A574 PolarHBondContact O-N 3.45Å
571Q91.9Very high91.6Very high120 Ų12069.5 Ų69.556%0.56137%0.374SS*.Hα-helixtrans-65.7-48.9174.1-178.1178.3-6.600111.5L561 T569 R573 A574 V575L561-Q571 HydrophobicContact CD1-CG 4.2Å; T569-Q571 PolarHBondContact O-N 3.24Å; Q571-R573 VanDerWaalsContact C-N 3.3Å; Q571-R573 PolarHBondContact O-N 3.03Å; Q571-A574 PolarHBondContact O-N 2.99Å; Q571-V575 WeakPolarHBondContact O-CG2 3.12Å; Q571-V575 PolarHBondContact O-N 3.43Å
572A91Very high91.9Very high1 Ų169.3 Ų69.31%0.00837%0.374CS..Hα-helixtrans-59.8-40.7176.700000111.8L558 L561 E566 G567 T569 A574 V575 A576L558-A572 HydrophobicContact CD1-CB 4.05Å; L561-A572 HydrophobicContact CB-CB 4.47Å; L561-A572 HydrophobicContact CD1-CB 4.09Å; E566-A572 WeakPolarHBondContact O-CB 3.35Å; G567-A572 WeakPolarHBondContact O-CB 3.47Å; T569-A572 PolarHBondContact O-N 3.07Å; T569-A572 WeakPolarHBondContact OG1-CB 3.36Å; T569-A572 PolarHBondContact OG1-N 3.39Å; T569-A572 VanDerWaalsContact OG1-N 3.14Å; A572-A574 PolarHBondContact O-N 3.1Å; A572-V575 PolarHBondContact O-N 3.44Å; A572-A576 VanDerWaalsContact O-CB 3.28Å; A572-A576 WeakPolarHBondContact O-CB 3.33Å; A572-A576 PolarHBondContact O-N 3.11Å
573R91.6Very high92.2Very high169 Ų16969.1 Ų69.164%0.63837%0.371SS*.Hα-helixtrans-62.2-40.5174.8-67.4177.4-173.3-178.6-0.1112.8D568 T569 Q571 A576 Q577D568-R573 PolarHBondContact O-NE 3.32Å; T569-R573 WeakPolarHBondContact O-CG 3.41Å; T569-R573 PolarHBondContact O-N 3.31Å; Q571-R573 VanDerWaalsContact C-N 3.3Å; Q571-R573 PolarHBondContact O-N 3.03Å; R573-A576 PolarHBondContact O-N 2.93Å; R573-Q577 PolarHBondContact O-N 3.03Å
574A94.2Very high92.4Very high44 Ų4472.5 Ų72.536%0.36437%0.368SS..Hα-helixtrans-66-43.2176.100000112P570 Q571 A572 Q577 Q578P570-A574 WeakPolarHBondContact O-CB 3.33Å; P570-A574 PolarHBondContact O-N 3.45Å; Q571-A574 PolarHBondContact O-N 2.99Å; A572-A574 PolarHBondContact O-N 3.1Å; A574-Q577 PolarHBondContact O-N 3.41Å; A574-Q578 WeakPolarHBondContact O-CG 3.29Å; A574-Q578 PolarHBondContact O-N 3.27Å
575V95.7Very high92.6Very high10 Ų1069 Ų696%0.06136%0.362CS..Hα-helixtrans-64.2-41.3175.5176.50000110.9L554 Q557 L558 L561 Q571 A572 Q577 Q578 L579L554-V575 HydrophobicContact CD2-CG1 4.18Å; Q557-V575 HydrophobicContact CB-CG1 4.18Å; L558-V575 HydrophobicContact CB-CG1 3.99Å; L561-V575 HydrophobicContact CD1-CG2 4.38Å; Q571-V575 WeakPolarHBondContact O-CG2 3.12Å; Q571-V575 PolarHBondContact O-N 3.43Å; A572-V575 PolarHBondContact O-N 3.44Å; V575-Q577 PolarHBondContact O-N 3.18Å; V575-Q578 PolarHBondContact O-N 3.4Å; V575-L579 VanDerWaalsContact O-CB 3.29Å; V575-L579 WeakPolarHBondContact O-CB 3.4Å; V575-L579 PolarHBondContact O-N 3.24Å
576A92.9Very high93Very high12 Ų1265.9 Ų65.910%0.09933%0.33CS..Hα-helixtrans-59.3-45.2176.300000112I507 L558 A572 R573 L579 Q580I507-A576 HydrophobicContact CG2-CB 3.71Å; I507-A576 WeakPolarHBondContact CG2-O 3.47Å; L558-A576 HydrophobicContact CD1-CB 4.43Å; L558-A576 HydrophobicContact CD2-CB 4.13Å; A572-A576 VanDerWaalsContact O-CB 3.28Å; A572-A576 WeakPolarHBondContact O-CB 3.33Å; A572-A576 PolarHBondContact O-N 3.11Å; R573-A576 PolarHBondContact O-N 2.93Å; A576-L579 PolarHBondContact O-N 3.22Å; A576-Q580 WeakPolarHBondContact O-CB 3.29Å; A576-Q580 PolarHBondContact O-N 3.41Å
577Q94.5Very high93.2Very high115 Ų11563.9 Ų63.954%0.53732%0.32SS..Hα-helixtrans-63.8-45.3176.3-173.1179.4-6.900112.1R573 A574 V575 L579 Q580 E581R573-Q577 PolarHBondContact O-N 3.03Å; A574-Q577 PolarHBondContact O-N 3.41Å; V575-Q577 PolarHBondContact O-N 3.18Å; Q577-L579 VanDerWaalsContact C-N 3.31Å; Q577-L579 PolarHBondContact O-N 2.97Å; Q577-Q580 WeakPolarHBondContact O-CB 3.48Å; Q577-Q580 PolarHBondContact O-N 3.28Å; Q577-E581 PolarHBondContact O-N 3.22Å; Q577-E581 VanDerWaalsContact O-N 3.07Å
578Q96.6Very high93.6Very high106 Ų10665.5 Ų65.550%0.49534%0.336SS..Hα-helixtrans-61.6-40.5176.4-71.5177.417.700112L554 A574 V575 E581 A582L554-Q578 HydrophobicContact CD1-CB 4.13Å; L554-Q578 HydrophobicContact CD2-CB 4.17Å; A574-Q578 WeakPolarHBondContact O-CG 3.29Å; A574-Q578 PolarHBondContact O-N 3.27Å; V575-Q578 PolarHBondContact O-N 3.4Å; Q578-E581 PolarHBondContact O-N 3.1Å; Q578-A582 VanDerWaalsContact O-CB 3.3Å; Q578-A582 WeakPolarHBondContact O-CB 3.31Å; Q578-A582 PolarHBondContact O-N 2.96Å
579L96.9Very high93.9Very high0 Ų062.1 Ų62.10%032%0.317CS..Hα-helixtrans-65.4-40.3177.217955.2000111.6W506 I507 I522 V551 L554 M555 L558 V575 A576 Q577 A582 L583W506-L579 HydrophobicContact CZ3-CD2 4.01Å; I507-L579 HydrophobicContact CD1-CD2 3.9Å; I507-L579 HydrophobicContact CD1-CG 3.78Å; I507-L579 HydrophobicContact CG1-CD2 3.84Å; I507-L579 HydrophobicContact CG1-CG 4.25Å; I522-L579 HydrophobicContact CD1-CD2 4.25Å; V551-L579 HydrophobicContact CG1-CD1 4.01Å; L554-L579 HydrophobicContact CB-CB 4.03Å; L554-L579 HydrophobicContact CB-CD1 3.88Å; L554-L579 HydrophobicContact CB-CG 4.4Å; M555-L579 HydrophobicContact CB-CD1 4.45Å; M555-L579 HydrophobicContact CB-CD2 4.23Å; L558-L579 HydrophobicContact CD2-CD2 4.16Å; V575-L579 VanDerWaalsContact O-CB 3.29Å; V575-L579 WeakPolarHBondContact O-CB 3.4Å; V575-L579 PolarHBondContact O-N 3.24Å; A576-L579 PolarHBondContact O-N 3.22Å; Q577-L579 VanDerWaalsContact C-N 3.31Å; Q577-L579 PolarHBondContact O-N 2.97Å; L579-A582 PolarHBondContact O-N 3.33Å; L579-L583 HydrophobicContact CD1-CD1 4.14Å; L579-L583 HydrophobicContact CD1-CG 4.13Å; L579-L583 HydrophobicContact CG-CD1 4.15Å; L579-L583 WeakPolarHBondContact O-CB 3.46Å; L579-L583 WeakPolarHBondContact O-CG 3.09Å; L579-L583 PolarHBondContact O-N 2.92Å
580Q94.8Very high94.1Very high83 Ų8360.1 Ų60.139%0.38831%0.305SS..Hα-helixtrans-61-46.5176.4-179.9173.923.100111.8Q504 A576 Q577 L583 K584Q504-Q580 VanDerWaalsContact CD-NE2 3.27Å; Q504-Q580 VanDerWaalsContact NE2-NE2 3.14Å; A576-Q580 WeakPolarHBondContact O-CB 3.29Å; A576-Q580 PolarHBondContact O-N 3.41Å; Q577-Q580 WeakPolarHBondContact O-CB 3.48Å; Q577-Q580 PolarHBondContact O-N 3.28Å; Q580-L583 PolarHBondContact O-N 3.36Å; Q580-K584 PolarHBondContact O-N 3.5Å; Q580-K584 VanDerWaalsContact O-N 3.13Å
581E95.5Very high94.1Very high115 Ų11557 Ų5754%0.53728%0.28SS..Hα-helixtrans-63.9-47.2176.1-70.9174.8-168.100111.3Q577 Q578 L583 K584 D585Q577-E581 PolarHBondContact O-N 3.22Å; Q577-E581 VanDerWaalsContact O-N 3.07Å; Q578-E581 PolarHBondContact O-N 3.1Å; E581-L583 VanDerWaalsContact C-N 3.31Å; E581-L583 PolarHBondContact O-N 3.21Å; E581-K584 WeakPolarHBondContact O-CB 3.39Å; E581-K584 PolarHBondContact O-N 3.4Å; E581-D585 WeakPolarHBondContact O-CB 3.06Å; E581-D585 PolarHBondContact O-N 3.3Å
582A96.7Very high94Very high8 Ų855.8 Ų55.87%0.06628%0.275CS..Hα-helixtrans-60.5-37.4178.400000112.9V551 L554 Q578 L579 D585 L586V551-A582 HydrophobicContact CG2-CB 3.82Å; L554-A582 HydrophobicContact CD1-CB 4.05Å; Q578-A582 VanDerWaalsContact O-CB 3.3Å; Q578-A582 WeakPolarHBondContact O-CB 3.31Å; Q578-A582 PolarHBondContact O-N 2.96Å; L579-A582 PolarHBondContact O-N 3.33Å; A582-D585 PolarHBondContact O-N 3.17Å; A582-L586 WeakPolarHBondContact O-CB 3.49Å; A582-L586 PolarHBondContact O-N 3.33Å
583L95.4Very high94Very high16 Ų1656 Ų568%0.08428%0.277CS..Hα-helixtrans-67.1-42.3175.2-81.6170.4000112.5A503 I507 I522 L525 V551 L579 Q580 E581 D585 L586 K587A503-L583 HydrophobicContact CB-CD1 4.21Å; I507-L583 HydrophobicContact CD1-CD1 3.41Å; I507-L583 VanDerWaalsContact CD1-CD1 3.41Å; I522-L583 HydrophobicContact CD1-CD1 4.32Å; I522-L583 HydrophobicContact CG1-CD1 4.2Å; I522-L583 HydrophobicContact CG2-CD2 4.39Å; L525-L583 HydrophobicContact CD1-CD2 4.04Å; V551-L583 HydrophobicContact CG1-CD2 3.56Å; V551-L583 HydrophobicContact CG1-CG 4.12Å; V551-L583 HydrophobicContact CG2-CD2 4.32Å; V551-L583 HydrophobicContact CG2-CG 4.45Å; L579-L583 HydrophobicContact CD1-CD1 4.14Å; L579-L583 HydrophobicContact CD1-CG 4.13Å; L579-L583 HydrophobicContact CG-CD1 4.15Å; L579-L583 WeakPolarHBondContact O-CB 3.46Å; L579-L583 WeakPolarHBondContact O-CG 3.09Å; L579-L583 PolarHBondContact O-N 2.92Å; Q580-L583 PolarHBondContact O-N 3.36Å; E581-L583 VanDerWaalsContact C-N 3.31Å; E581-L583 PolarHBondContact O-N 3.21Å; L583-D585 VanDerWaalsContact C-N 3.28Å; L583-D585 PolarHBondContact O-N 3.45Å; L583-L586 PolarHBondContact O-N 3.03Å; L583-K587 WeakPolarHBondContact O-CB 3.44Å; L583-K587 PolarHBondContact O-N 2.68Å
584K93.9Very high94Very high159 Ų15948.2 Ų48.269%0.69125%0.248SC*.Hα-helixtrans-60.7-42.6175.5-176.6-177.2176.9-174.90110.9Q580 E581 K587 G588Q580-K584 PolarHBondContact O-N 3.5Å; Q580-K584 VanDerWaalsContact O-N 3.13Å; E581-K584 WeakPolarHBondContact O-CB 3.39Å; E581-K584 PolarHBondContact O-N 3.4Å; K584-K587 WeakPolarHBondContact O-CB 3.45Å; K584-K587 PolarHBondContact O-N 3.24Å; K584-G588 PolarHBondContact O-N 3.26Å; K584-G588 VanDerWaalsContact O-N 3.07Å
585D94.7Very high93.9Very high88 Ų8846.5 Ų46.547%0.47123%0.233SC..Hα-helixtrans-65.3-43.5177.3-102.535.3000113.3K547 E581 A582 L583 K589K547-D585 HydrophobicContact CD-CB 4.45Å; K547-D585 IonicContact NZ-OD2 3.18Å; K547-D585 PolarHBondContact NZ-OD2 2.98Å; E581-D585 WeakPolarHBondContact O-CB 3.06Å; E581-D585 PolarHBondContact O-N 3.3Å; A582-D585 PolarHBondContact O-N 3.17Å; L583-D585 VanDerWaalsContact C-N 3.28Å; L583-D585 PolarHBondContact O-N 3.45Å; D585-K589 PolarHBondContact O-N 2.78Å; D585-K589 VanDerWaalsContact O-N 3.11Å
586L95.1Very high93.5Very high1 Ų148.5 Ų48.51%0.00524%0.242CC..Hα-helixtrans-62.4-46.4174.7177.160.6000110.3V526 L544 K547 V551 A582 L583 G588 K589 M590V526-L586 HydrophobicContact CG2-CD2 4.26Å; L544-L586 HydrophobicContact CD1-CD1 3.69Å; K547-L586 HydrophobicContact CB-CD1 4.09Å; V551-L586 HydrophobicContact CB-CD2 4.33Å; V551-L586 HydrophobicContact CG1-CD2 4.45Å; V551-L586 HydrophobicContact CG2-CB 4.3Å; V551-L586 HydrophobicContact CG2-CD2 3.97Å; A582-L586 WeakPolarHBondContact O-CB 3.49Å; A582-L586 PolarHBondContact O-N 3.33Å; L583-L586 PolarHBondContact O-N 3.03Å; L586-G588 PolarHBondContact O-N 3.48Å; L586-K589 PolarHBondContact O-N 3.48Å; L586-M590 HydrophobicContact CD1-CG 3.92Å; L586-M590 HydrophobicContact CD1-SD 4.11Å; L586-M590 HydrophobicContact CG-CE 3.95Å; L586-M590 HydrophobicContact CG-CG 4.27Å; L586-M590 HydrophobicContact CG-SD 4.06Å; L586-M590 WeakPolarHBondContact O-CB 3.22Å; L586-M590 VanDerWaalsContact O-CG 3.23Å; L586-M590 WeakPolarHBondContact O-CG 3.49Å; L586-M590 PolarHBondContact O-N 2.96Å
587K94.1Very high93.3Very high42 Ų4249.6 Ų49.618%0.18325%0.245CC..Hα-helixtrans-53.1-52.5176.1178.4-176.8172.8-179.10111.6L496 E497 L583 K584 K589 M590 Q591L496-K587 HydrophobicContact CD2-CD 4.26Å; L496-K587 HydrophobicContact CD2-CG 3.9Å; E497-K587 VanDerWaalsContact OE1-CE 3.27Å; E497-K587 WeakPolarHBondContact OE1-CE 3.42Å; E497-K587 IonicContact OE1-NZ 2.83Å; E497-K587 PolarHBondContact OE1-NZ 3.41Å; E497-K587 IonicContact OE2-NZ 3.34Å; E497-K587 PolarHBondContact OE2-NZ 3.28Å; L583-K587 WeakPolarHBondContact O-CB 3.44Å; L583-K587 PolarHBondContact O-N 2.68Å; K584-K587 WeakPolarHBondContact O-CB 3.45Å; K584-K587 PolarHBondContact O-N 3.24Å; K587-K589 PolarHBondContact O-N 3.34Å; K587-M590 PolarHBondContact O-N 3.36Å; K587-Q591 WeakPolarHBondContact O-CG 3.24Å; K587-Q591 PolarHBondContact O-N 2.98Å
588G92.5Very high93.1Very high37 Ų3744.1 Ų44.138%0.38122%0.219SC..Hα-helixtrans-59.8-45.6179.500000112.7K584 L586 M590 Q591 E592K584-G588 PolarHBondContact O-N 3.26Å; K584-G588 VanDerWaalsContact O-N 3.07Å; L586-G588 PolarHBondContact O-N 3.48Å; G588-M590 PolarHBondContact O-N 2.97Å; G588-Q591 PolarHBondContact O-N 2.72Å; G588-E592 PolarHBondContact O-N 2.96Å
589K92.8Very high92.7Very high26 Ų2639.1 Ų39.111%0.11320%0.196CC..Hα-helixtrans-66.8-37.3179.8-163.172.6-163.1167.30112.8E543 L544 K547 D585 L586 K587 E592 A593E543-K589 WeakPolarHBondContact OE1-CE 3.36Å; E543-K589 IonicContact OE1-NZ 3.36Å; E543-K589 WeakPolarHBondContact OE2-CE 3.45Å; E543-K589 IonicContact OE2-NZ 2.68Å; L544-K589 HydrophobicContact CD1-CB 4.17Å; L544-K589 HydrophobicContact CD1-CG 4.01Å; K547-K589 HydrophobicContact CD-CB 4.35Å; D585-K589 PolarHBondContact O-N 2.78Å; D585-K589 VanDerWaalsContact O-N 3.11Å; L586-K589 PolarHBondContact O-N 3.48Å; K587-K589 PolarHBondContact O-N 3.34Å; K589-E592 WeakPolarHBondContact CD-OE2 3.3Å; K589-E592 WeakPolarHBondContact CE-OE2 3.41Å; K589-E592 IonicContact NZ-OE1 3.18Å; K589-E592 PolarHBondContact NZ-OE1 2.7Å; K589-E592 IonicContact NZ-OE2 2.72Å; K589-E592 PolarHBondContact NZ-OE2 3.1Å; K589-A593 WeakPolarHBondContact O-CB 3.5Å; K589-A593 PolarHBondContact O-N 3.49Å
590M93.4Very high92.2Very high1 Ų142.8 Ų42.81%0.00522%0.215CC..Hα-helixtrans-65.2-42.6175.3-70.9-172-57.300111.6L496 L525 G529 L532 L544 L586 K587 G588 A593 M594 V653L496-M590 HydrophobicContact CD1-CE 4.27Å; L525-M590 HydrophobicContact CD2-CE 4.29Å; G529-M590 WeakPolarHBondContact CA-SD 3.29Å; G529-M590 PolarHBondContact N-SD 3.46Å; G529-M590 VanDerWaalsContact N-SD 3.41Å; L532-M590 HydrophobicContact CD1-CB 3.78Å; L532-M590 HydrophobicContact CD1-CG 4.12Å; L544-M590 HydrophobicContact CD1-CG 4Å; L586-M590 HydrophobicContact CD1-CG 3.92Å; L586-M590 HydrophobicContact CD1-SD 4.11Å; L586-M590 HydrophobicContact CG-CE 3.95Å; L586-M590 HydrophobicContact CG-CG 4.27Å; L586-M590 HydrophobicContact CG-SD 4.06Å; L586-M590 WeakPolarHBondContact O-CB 3.22Å; L586-M590 VanDerWaalsContact O-CG 3.23Å; L586-M590 WeakPolarHBondContact O-CG 3.49Å; L586-M590 PolarHBondContact O-N 2.96Å; K587-M590 PolarHBondContact O-N 3.36Å; G588-M590 PolarHBondContact O-N 2.97Å; M590-A593 PolarHBondContact O-N 3.27Å; M590-M594 VanDerWaalsContact O-CB 3.25Å; M590-M594 WeakPolarHBondContact O-CB 3.4Å; M590-M594 PolarHBondContact O-N 3.44Å; M590-V653 HydrophobicContact CB-CG1 3.5Å
591Q92.4Very high91.9Very high43 Ų4339.7 Ų39.720%0.20120%0.202CC..Hα-helixtrans-63.9-42.3176.8-75.5178.3-42.500112.2L496 K587 G588 M594 T595 V653L496-Q591 HydrophobicContact CD2-CG 4.3Å; K587-Q591 WeakPolarHBondContact O-CG 3.24Å; K587-Q591 PolarHBondContact O-N 2.98Å; G588-Q591 PolarHBondContact O-N 2.72Å; Q591-M594 PolarHBondContact O-N 2.88Å; Q591-T595 WeakPolarHBondContact O-CB 3.16Å; Q591-T595 PolarHBondContact O-N 2.73Å; Q591-T595 PolarHBondContact O-OG1 2.97Å; Q591-V653 HydrophobicContact CG-CG1 4.15Å; Q591-V653 VanDerWaalsContact CG-O 3.3Å; Q591-V653 WeakPolarHBondContact CG-O 3.48Å
592E90.1Very high91.7Very high95 Ų9534.4 Ų34.444%0.44418%0.177SC..Hα-helixtrans-58.4-53.3174.2-174.2-164.1156.100111.1G588 K589 M594 T595 Q596G588-E592 PolarHBondContact O-N 2.96Å; K589-E592 WeakPolarHBondContact CD-OE2 3.3Å; K589-E592 WeakPolarHBondContact CE-OE2 3.41Å; K589-E592 IonicContact NZ-OE1 3.18Å; K589-E592 PolarHBondContact NZ-OE1 2.7Å; K589-E592 IonicContact NZ-OE2 2.72Å; K589-E592 PolarHBondContact NZ-OE2 3.1Å; E592-M594 PolarHBondContact O-N 3.47Å; E592-T595 PolarHBondContact O-N 2.74Å; E592-Q596 WeakPolarHBondContact O-CG 3.3Å; E592-Q596 PolarHBondContact O-N 3.18Å; E592-Q596 VanDerWaalsContact O-N 3.13Å
593A89.9Confident91.2Very high7 Ų735.1 Ų35.16%0.05818%0.181CC..Hα-helixtrans-60.3-43.7-179.800000112.6L536 L544 K589 M590 Q596 E597L536-A593 HydrophobicContact CD1-CB 3.88Å; L536-A593 HydrophobicContact CD2-CB 4.23Å; L544-A593 HydrophobicContact CD2-CB 4.49Å; K589-A593 WeakPolarHBondContact O-CB 3.5Å; K589-A593 PolarHBondContact O-N 3.49Å; M590-A593 PolarHBondContact O-N 3.27Å; A593-Q596 PolarHBondContact O-N 3.44Å; A593-E597 PolarHBondContact O-N 3.34Å
594M92.4Very high90.8Very high4 Ų435.3 Ų35.32%0.0218%0.182CC..Hα-helixtrans-63.2-42.6177.6177.4-80.7-60.900111.6L532 M590 Q591 E592 Q596 E597 V598 A650 V653 I721L532-M594 HydrophobicContact CD1-CB 4.32Å; L532-M594 HydrophobicContact CD2-CB 3.99Å; M590-M594 VanDerWaalsContact O-CB 3.25Å; M590-M594 WeakPolarHBondContact O-CB 3.4Å; M590-M594 PolarHBondContact O-N 3.44Å; Q591-M594 PolarHBondContact O-N 2.88Å; E592-M594 PolarHBondContact O-N 3.47Å; M594-Q596 VanDerWaalsContact C-N 3.33Å; M594-Q596 PolarHBondContact O-N 3.01Å; M594-E597 PolarHBondContact O-N 3.39Å; M594-V598 WeakPolarHBondContact O-CG2 3.24Å; M594-V598 PolarHBondContact O-N 3.03Å; M594-V598 HydrophobicContact SD-CG2 3.82Å; M594-A650 HydrophobicContact CG-CB 4.45Å; M594-A650 HydrophobicContact SD-CB 3.85Å; M594-V653 HydrophobicContact CB-CG1 4.44Å; M594-I721 HydrophobicContact CE-CG1 4.01Å; M594-I721 HydrophobicContact SD-CD1 4.03Å; M594-I721 HydrophobicContact SD-CG1 3.89Å
595T91.3Very high90.6Very high9 Ų928.8 Ų28.86%0.05516%0.156CC..Hα-helixtrans-62.2-41.2179.4-58.60000111.6Q591 E592 V598 S599 I721 A729Q591-T595 WeakPolarHBondContact O-CB 3.16Å; Q591-T595 PolarHBondContact O-N 2.73Å; Q591-T595 PolarHBondContact O-OG1 2.97Å; E592-T595 PolarHBondContact O-N 2.74Å; T595-V598 PolarHBondContact O-N 3.3Å; T595-S599 WeakPolarHBondContact O-CB 3.29Å; T595-S599 PolarHBondContact O-N 3.22Å; T595-I721 HydrophobicContact CG2-CG2 3.86Å; T595-A729 HydrophobicContact CG2-CB 3.92Å
596Q87.6Confident90.4Very high51 Ų5125.7 Ų25.724%0.23814%0.14CC..Hα-helixtrans-63.7-46.5174.7-65-67.8-34.600111.5E592 A593 M594 V598 S599 D600E592-Q596 WeakPolarHBondContact O-CG 3.3Å; E592-Q596 PolarHBondContact O-N 3.18Å; E592-Q596 VanDerWaalsContact O-N 3.13Å; A593-Q596 PolarHBondContact O-N 3.44Å; M594-Q596 VanDerWaalsContact C-N 3.33Å; M594-Q596 PolarHBondContact O-N 3.01Å; Q596-V598 VanDerWaalsContact C-N 3.35Å; Q596-V598 PolarHBondContact O-N 3.03Å; Q596-S599 PolarHBondContact O-N 3.4Å; Q596-D600 PolarHBondContact O-N 3.32Å
597E88.2Confident90.2Very high35 Ų3528.2 Ų28.216%0.16416%0.156CC..Hα-helixtrans-61.5-41.7178.5-167176171.400111.7A593 M594 D600 I601 T646 K649A593-E597 PolarHBondContact O-N 3.34Å; M594-E597 PolarHBondContact O-N 3.39Å; E597-D600 PolarHBondContact O-N 2.81Å; E597-I601 HydrophobicContact CG-CG1 4.13Å; E597-I601 WeakPolarHBondContact O-CB 3.44Å; E597-I601 VanDerWaalsContact O-CG1 3.26Å; E597-I601 WeakPolarHBondContact O-CG1 3.29Å; E597-I601 PolarHBondContact O-N 3.15Å; E597-T646 HydrophobicContact CB-CG2 4.49Å; E597-T646 HydrophobicContact CG-CG2 4Å; E597-K649 IonicContact OE1-NZ 3.64Å; E597-K649 PolarHBondContact OE1-NZ 3.45Å; E597-K649 WeakPolarHBondContact OE2-CD 3.33Å; E597-K649 IonicContact OE2-NZ 2.66Å; E597-K649 PolarHBondContact OE2-NZ 3.31Å
598V91.1Very high90.3Very high0 Ų027.2 Ų27.20%015%0.153CC..Hα-helixtrans-64.5-45.8175.6171.40000111.4M594 T595 Q596 D600 I601 F602 T646 A650 V717 I721M594-V598 WeakPolarHBondContact O-CG2 3.24Å; M594-V598 PolarHBondContact O-N 3.03Å; M594-V598 HydrophobicContact SD-CG2 3.82Å; T595-V598 PolarHBondContact O-N 3.3Å; Q596-V598 VanDerWaalsContact C-N 3.35Å; Q596-V598 PolarHBondContact O-N 3.03Å; V598-D600 PolarHBondContact O-N 3.37Å; V598-I601 PolarHBondContact O-N 3.41Å; V598-F602 HydrophobicContact CB-CD2 4.44Å; V598-F602 HydrophobicContact CG1-CB 4.43Å; V598-F602 HydrophobicContact CG1-CD2 3.88Å; V598-F602 HydrophobicContact CG1-CG 4.39Å; V598-F602 WeakPolarHBondContact O-CB 3.48Å; V598-F602 PolarHBondContact O-N 2.95Å; V598-T646 HydrophobicContact CB-CG2 4.49Å; V598-T646 HydrophobicContact CG2-CG2 3.73Å; V598-A650 HydrophobicContact CG2-CB 4.2Å; V598-V717 HydrophobicContact CG1-CG1 3.76Å; V598-V717 HydrophobicContact CG2-CG1 4.13Å; V598-I721 HydrophobicContact CB-CD1 3.67Å; V598-I721 HydrophobicContact CG1-CD1 3.42Å; V598-I721 VanDerWaalsContact CG1-CD1 3.42Å; V598-I721 HydrophobicContact CG2-CD1 3.7Å
599S88.9Confident90.5Very high1 Ų125.5 Ų25.51%0.00714%0.135CC..Hα-helixtrans-55.6-39.9178.2-174.50000111.3T595 Q596 S603 S730 R763T595-S599 WeakPolarHBondContact O-CB 3.29Å; T595-S599 PolarHBondContact O-N 3.22Å; Q596-S599 PolarHBondContact O-N 3.4Å; S599-S603 WeakPolarHBondContact O-CB 3.33Å; S599-S730 PolarHBondContact OG-OG 2.95Å; S599-R763 PolarHBondContact O-NH1 3.37Å; S599-R763 PolarHBondContact OG-NH1 3.16Å
600D86.1Confident90.6Very high77 Ų7729.9 Ų29.941%0.41215%0.154SC..Hα-helixtrans-74.4-55.1178.7-75-17000113.2Q596 E597 V598 S603 R763Q596-D600 PolarHBondContact O-N 3.32Å; E597-D600 PolarHBondContact O-N 2.81Å; V598-D600 PolarHBondContact O-N 3.37Å; D600-S603 WeakPolarHBondContact O-CB 3.25Å; D600-S603 PolarHBondContact O-N 3.24Å; D600-S603 PolarHBondContact O-OG 3.46Å; D600-R763 IonicContact OD1-CZ 2.7Å; D600-R763 IonicContact OD1-NH1 3.02Å; D600-R763 PolarHBondContact OD1-NH1 3.4Å; D600-R763 VanDerWaalsContact OD1-NH1 3.13Å; D600-R763 IonicContact OD1-NH2 3.25Å; D600-R763 PolarHBondContact OD1-NH2 3Å
601I88.8Confident90.7Very high19 Ų1933.2 Ų33.210%0.09717%0.172CC..Hα-helixtrans-70.4-38.2-171.2-62-63000111.9E597 V598 S603 L643 T646E597-I601 HydrophobicContact CG-CG1 4.13Å; E597-I601 WeakPolarHBondContact O-CB 3.44Å; E597-I601 VanDerWaalsContact O-CG1 3.26Å; E597-I601 WeakPolarHBondContact O-CG1 3.29Å; E597-I601 PolarHBondContact O-N 3.15Å; V598-I601 PolarHBondContact O-N 3.41Å; I601-S603 VanDerWaalsContact C-N 3.34Å; I601-L643 HydrophobicContact CG2-CD2 3.93Å; I601-L643 HydrophobicContact CG2-CG 4.48Å; I601-T646 HydrophobicContact CB-CG2 4.28Å; I601-T646 HydrophobicContact CG1-CG2 4.41Å
602F90.5Very high90.9Very high4 Ų431.1 Ų31.12%0.01816%0.162CC..THydrogen-bonded Turntrans-90.54.2-179.3-72.2-98.1000113.4V598 D604 T605 L643 T646 A647 M712 T713 V717 R766V598-F602 HydrophobicContact CB-CD2 4.44Å; V598-F602 HydrophobicContact CG1-CB 4.43Å; V598-F602 HydrophobicContact CG1-CD2 3.88Å; V598-F602 HydrophobicContact CG1-CG 4.39Å; V598-F602 WeakPolarHBondContact O-CB 3.48Å; V598-F602 PolarHBondContact O-N 2.95Å; F602-D604 PolarHBondContact O-N 3.28Å; F602-T605 HydrophobicContact CB-CG2 4.32Å; F602-T605 HydrophobicContact CD1-CG2 3.88Å; F602-T605 HydrophobicContact CG-CG2 4.49Å; F602-L643 HydrophobicContact CD1-CD2 3.75Å; F602-L643 HydrophobicContact CD2-CD2 4.35Å; F602-L643 HydrophobicContact CE1-CD2 3.81Å; F602-L643 HydrophobicContact CE2-CD2 4.39Å; F602-L643 HydrophobicContact CG-CD2 4.05Å; F602-L643 HydrophobicContact CZ-CD2 4.11Å; F602-T646 HydrophobicContact CD2-CG2 4.21Å; F602-T646 HydrophobicContact CE2-CG2 3.83Å; F602-A647 HydrophobicContact CZ-CB 4.1Å; F602-M712 HydrophobicContact CE1-CE 4.07Å; F602-M712 HydrophobicContact CZ-CE 4.3Å; F602-T713 HydrophobicContact CB-CG2 4.34Å; F602-T713 HydrophobicContact CD1-CG2 3.65Å; F602-T713 VanDerWaalsContact CD1-OG1 3.29Å; F602-T713 WeakPolarHBondContact CD1-OG1 3.34Å; F602-T713 HydrophobicContact CE1-CG2 4.38Å; F602-T713 WeakPolarHBondContact CE1-OG1 3.37Å; F602-T713 HydrophobicContact CG-CG2 4.41Å; F602-V717 HydrophobicContact CE2-CG1 4.22Å; F602-V717 HydrophobicContact CZ-CG1 4.31Å; F602-V717 HydrophobicContact CZ-CG2 4.09Å; F602-R766 VanDerWaalsContact C-NH1 3.34Å; F602-R766 PolarHBondContact O-NH1 3.3Å
603S86.9Confident91.2Very high22 Ų2227.5 Ų27.515%0.15415%0.149CC..THydrogen-bonded Turntrans-60-29171.564.40000112.6S599 D600 I601S599-S603 WeakPolarHBondContact O-CB 3.33Å; D600-S603 WeakPolarHBondContact O-CB 3.25Å; D600-S603 PolarHBondContact O-N 3.24Å; D600-S603 PolarHBondContact O-OG 3.46Å; I601-S603 VanDerWaalsContact C-N 3.34Å
604D85.5Confident91.5Very high20 Ų2032 Ų3211%0.10718%0.175CC..  trans-142.5110.8174.5-174-4.7000110.9F602 T606 T607 H639 R762F602-D604 PolarHBondContact O-N 3.28Å; D604-T606 PolarHBondContact OD1-N 3.02Å; D604-T606 VanDerWaalsContact OD1-N 3.15Å; D604-T607 WeakPolarHBondContact OD1-CB 3.27Å; D604-T607 PolarHBondContact OD1-N 3.43Å; D604-T607 PolarHBondContact OD1-OG1 3.02Å; D604-T607 WeakPolarHBondContact OD2-CB 3.47Å; D604-T607 PolarHBondContact OD2-OG1 3.38Å; D604-H639 PolarHBondContact O-CE1 2.87Å; D604-H639 PolarHBondContact O-NE2 3.38Å; D604-R762 VanDerWaalsContact CB-NH1 3.31Å; D604-R762 IonicContact OD2-CZ 2.74Å; D604-R762 IonicContact OD2-NH1 3.95Å; D604-R762 PolarHBondContact OD2-NH1 2.98Å
605T90.5Very high91.6Very high23 Ų2332.2 Ų32.214%0.14118%0.178CC..SBendtrans-106.5-10.1-17859.10000113.3F602 L643 V709F602-T605 HydrophobicContact CB-CG2 4.32Å; F602-T605 HydrophobicContact CD1-CG2 3.88Å; F602-T605 HydrophobicContact CG-CG2 4.49Å; T605-L643 HydrophobicContact CG2-CD2 3.91Å; T605-V709 HydrophobicContact CG2-CG1 4.27Å
606T91.3Very high91.8Very high22 Ų2231.9 Ų31.914%0.13518%0.175CC..SBendtrans-125.5-15.5-167.561.40000115D604 I609 K610D604-T606 PolarHBondContact OD1-N 3.02Å; D604-T606 VanDerWaalsContact OD1-N 3.15Å; T606-I609 WeakPolarHBondContact O-CG2 3.27Å; T606-I609 PolarHBondContact O-N 3.4Å; T606-K610 VanDerWaalsContact O-CG 3.29Å; T606-K610 WeakPolarHBondContact O-CG 3.5Å; T606-K610 PolarHBondContact O-N 2.96Å; T606-K610 PolarHBondContact OG1-NZ 3.41Å
607T91.1Very high92.1Very high55 Ų5533.2 Ų33.234%0.33719%0.187SC..Hα-helixtrans-59.5-44.5179.6-63.50000113D604 I609 K610 L611D604-T607 WeakPolarHBondContact OD1-CB 3.27Å; D604-T607 PolarHBondContact OD1-N 3.43Å; D604-T607 PolarHBondContact OD1-OG1 3.02Å; D604-T607 WeakPolarHBondContact OD2-CB 3.47Å; D604-T607 PolarHBondContact OD2-OG1 3.38Å; T607-I609 VanDerWaalsContact C-N 3.35Å; T607-I609 PolarHBondContact O-N 3.38Å; T607-K610 WeakPolarHBondContact O-CB 3.44Å; T607-K610 PolarHBondContact O-N 3.36Å; T607-K610 VanDerWaalsContact O-N 3.13Å; T607-L611 HydrophobicContact CG2-CD1 3.97Å; T607-L611 HydrophobicContact CG2-CG 4.12Å; T607-L611 WeakPolarHBondContact O-CG 3.44Å; T607-L611 PolarHBondContact O-N 3.02Å
608P95Very high92.2Very high21 Ų2132.5 Ų32.514%0.13619%0.187CC..Hα-helixtrans-60.2-41.6-178.5-28.940.3000113.4L611 L612 F636 H639P608-L611 PolarHBondContact O-N 3.44Å; P608-L612 PolarHBondContact O-N 2.91Å; P608-F636 HydrophobicContact CB-CB 4.27Å; P608-F636 HydrophobicContact CB-CD2 4.41Å; P608-H639 HydrophobicContact CB-CB 4.21Å; P608-H639 HydrophobicContact CG-CB 3.91Å
609I96.8Very high92.1Very high0 Ų036.4 Ų36.40%021%0.213CC..Hα-helixtrans-71-32.2176.6-166.2165.6000112.5T606 T607 L612 A613 F636 V678 K702 W705 I706T606-I609 WeakPolarHBondContact O-CG2 3.27Å; T606-I609 PolarHBondContact O-N 3.4Å; T607-I609 VanDerWaalsContact C-N 3.35Å; T607-I609 PolarHBondContact O-N 3.38Å; I609-L612 PolarHBondContact O-N 3.39Å; I609-A613 PolarHBondContact O-N 3.12Å; I609-F636 HydrophobicContact CB-CD2 3.72Å; I609-F636 HydrophobicContact CB-CE2 3.62Å; I609-F636 HydrophobicContact CD1-CE2 3.76Å; I609-F636 HydrophobicContact CD1-CZ 3.93Å; I609-F636 HydrophobicContact CG1-CD2 4.25Å; I609-F636 HydrophobicContact CG1-CE2 3.87Å; I609-F636 HydrophobicContact CG1-CZ 4.32Å; I609-V678 HydrophobicContact CD1-CG1 3.99Å; I609-V678 HydrophobicContact CG1-CG1 4.49Å; I609-K702 HydrophobicContact CD1-CB 4.29Å; I609-K702 HydrophobicContact CD1-CG 3.7Å; I609-K702 HydrophobicContact CG1-CD 4.38Å; I609-K702 HydrophobicContact CG1-CG 4.04Å; I609-W705 HydrophobicContact CB-CE3 4.5Å; I609-W705 HydrophobicContact CB-CZ3 4.19Å; I609-W705 HydrophobicContact CD1-CB 4.46Å; I609-W705 HydrophobicContact CD1-CD2 3.94Å; I609-W705 HydrophobicContact CD1-CE3 3.46Å; I609-W705 VanDerWaalsContact CD1-CE3 3.46Å; I609-W705 HydrophobicContact CD1-CG 4.37Å; I609-W705 HydrophobicContact CD1-CZ3 4.03Å; I609-W705 HydrophobicContact CG2-CE3 4.3Å; I609-W705 HydrophobicContact CG2-CZ3 3.83Å; I609-I706 HydrophobicContact CD1-CG1 4.42Å; I609-I706 HydrophobicContact CG2-CD1 4.34Å; I609-I706 HydrophobicContact CG2-CG1 4.33Å
610K95.2Very high92Very high118 Ų11842.7 Ų42.751%0.51325%0.245SC..Hα-helixtrans-65.3-41.1172.7-73.4167.6176.71620111.6T606 T607 A613 V614T606-K610 VanDerWaalsContact O-CG 3.29Å; T606-K610 WeakPolarHBondContact O-CG 3.5Å; T606-K610 PolarHBondContact O-N 2.96Å; T606-K610 PolarHBondContact OG1-NZ 3.41Å; T607-K610 WeakPolarHBondContact O-CB 3.44Å; T607-K610 PolarHBondContact O-N 3.36Å; T607-K610 VanDerWaalsContact O-N 3.13Å; K610-A613 WeakPolarHBondContact O-CB 3.37Å; K610-A613 PolarHBondContact O-N 3.29Å; K610-V614 WeakPolarHBondContact O-CG2 3.23Å; K610-V614 PolarHBondContact O-N 2.85Å
611L95.4Very high92.2Very high71 Ų7145.7 Ų45.737%0.37226%0.262SS..Hα-helixtrans-66.8-37.8175.3-66.8177.3000111.8T607 P608 V614 A615 R632T607-L611 HydrophobicContact CG2-CD1 3.97Å; T607-L611 HydrophobicContact CG2-CG 4.12Å; T607-L611 WeakPolarHBondContact O-CG 3.44Å; T607-L611 PolarHBondContact O-N 3.02Å; P608-L611 PolarHBondContact O-N 3.44Å; L611-V614 PolarHBondContact O-N 2.89Å; L611-A615 WeakPolarHBondContact O-CB 3.38Å; L611-A615 PolarHBondContact O-N 3.44Å; L611-R632 HydrophobicContact CB-CG 4.45Å
612L97.3Very high92.2Very high0 Ų046.3 Ų46.30%027%0.269CS..Hα-helixtrans-61.4-44.1171.9178.461.2000111.6P608 I609 V614 A615 A616 F629 A633 F636 V678 V679 A682P608-L612 PolarHBondContact O-N 2.91Å; I609-L612 PolarHBondContact O-N 3.39Å; L612-V614 PolarHBondContact O-N 3.24Å; L612-A615 PolarHBondContact O-N 3.08Å; L612-A616 WeakPolarHBondContact O-CB 3.3Å; L612-A616 PolarHBondContact O-N 2.79Å; L612-F629 HydrophobicContact CD1-CD2 4.08Å; L612-F629 HydrophobicContact CD1-CE2 3.62Å; L612-F629 HydrophobicContact CD1-CZ 4.02Å; L612-A633 HydrophobicContact CD1-CB 4Å; L612-F636 HydrophobicContact CD2-CB 4.28Å; L612-F636 HydrophobicContact CD2-CD1 3.73Å; L612-F636 HydrophobicContact CD2-CE1 4.26Å; L612-F636 HydrophobicContact CD2-CG 4.04Å; L612-V678 HydrophobicContact CD2-CG1 4.43Å; L612-V679 HydrophobicContact CD2-CG2 4.28Å; L612-A682 HydrophobicContact CD1-CB 4.22Å; L612-A682 HydrophobicContact CD2-CB 4.25Å; L612-A682 HydrophobicContact CG-CB 4.13Å
613A96.2Very high92.1Very high19 Ų1951.5 Ų51.516%0.15730%0.303CS..Hα-helixtrans-59.5-46.2176.800000111.9I609 K610 A615 A616 T617 F698 K702I609-A613 PolarHBondContact O-N 3.12Å; K610-A613 WeakPolarHBondContact O-CB 3.37Å; K610-A613 PolarHBondContact O-N 3.29Å; A613-A615 PolarHBondContact O-N 2.9Å; A613-A616 PolarHBondContact O-N 3.42Å; A613-T617 PolarHBondContact O-N 2.92Å; A613-T617 VanDerWaalsContact O-N 3.14Å; A613-T617 PolarHBondContact O-OG1 3.39Å; A613-F698 HydrophobicContact CB-CE1 3.7Å; A613-F698 HydrophobicContact CB-CZ 3.73Å; A613-K702 HydrophobicContact CB-CD 4.43Å
614V95.6Very high92.3Very high100 Ų10055.5 Ų55.561%0.60632%0.323SS*.Hα-helixtrans-59.6-46.3175.9172.50000110.9K610 L611 L612 A616 T617 A618K610-V614 WeakPolarHBondContact O-CG2 3.23Å; K610-V614 PolarHBondContact O-N 2.85Å; L611-V614 PolarHBondContact O-N 2.89Å; L612-V614 PolarHBondContact O-N 3.24Å; V614-A616 PolarHBondContact O-N 3.05Å; V614-T617 PolarHBondContact O-N 3.27Å; V614-T617 PolarHBondContact O-OG1 3.38Å; V614-A618 PolarHBondContact O-N 2.78Å
615A95.1Very high92.6Very high10 Ų1055.9 Ų55.98%0.08332%0.323CS..Hα-helixtrans-63.8-39.6178.500000112.6L611 L612 A613 T617 A618 F629 R632 L686L611-A615 WeakPolarHBondContact O-CB 3.38Å; L611-A615 PolarHBondContact O-N 3.44Å; L612-A615 PolarHBondContact O-N 3.08Å; A613-A615 PolarHBondContact O-N 2.9Å; A615-T617 VanDerWaalsContact C-N 3.26Å; A615-T617 PolarHBondContact O-N 3.01Å; A615-A618 WeakPolarHBondContact O-CB 3.43Å; A615-A618 PolarHBondContact O-N 3.45Å; A615-A618 VanDerWaalsContact O-N 3.15Å; A615-F629 HydrophobicContact CB-CD2 4.34Å; A615-R632 HydrophobicContact CB-CB 4.21Å; A615-R632 HydrophobicContact CB-CG 4.02Å; A615-L686 WeakPolarHBondContact O-CD1 3.36Å
616A94.7Very high92.6Very high1 Ų159.5 Ų59.51%0.00834%0.342CS..Hα-helixtrans-63.4-32.8177.300000112.5L612 A613 V614 A618 F629 A682 L685 L686L612-A616 WeakPolarHBondContact O-CB 3.3Å; L612-A616 PolarHBondContact O-N 2.79Å; A613-A616 PolarHBondContact O-N 3.42Å; V614-A616 PolarHBondContact O-N 3.05Å; A616-A618 VanDerWaalsContact C-N 3.34Å; A616-F629 HydrophobicContact CB-CD2 4.42Å; A616-F629 HydrophobicContact CB-CE2 4.06Å; A616-A682 HydrophobicContact CB-CB 4.14Å; A616-L685 HydrophobicContact CB-CD2 4.15Å; A616-L686 WeakPolarHBondContact O-CA 3.35Å
617T94.1Very high92.7Very high79 Ų7964.8 Ų64.849%0.48537%0.365SS..THydrogen-bonded Turntrans-89.86.2177.158.30000114.2A613 V614 A615 L685A613-T617 PolarHBondContact O-N 2.92Å; A613-T617 VanDerWaalsContact O-N 3.14Å; A613-T617 PolarHBondContact O-OG1 3.39Å; V614-T617 PolarHBondContact O-N 3.27Å; V614-T617 PolarHBondContact O-OG1 3.38Å; A615-T617 VanDerWaalsContact C-N 3.26Å; A615-T617 PolarHBondContact O-N 3.01Å; T617-L685 HydrophobicContact CG2-CD2 4.03Å
618A91.2Very high92.8Very high20 Ų2065.3 Ų65.317%0.16537%0.368CS..  trans-59.4138-176.100000111.7V614 A615 A616 A622 R625V614-A618 PolarHBondContact O-N 2.78Å; A615-A618 WeakPolarHBondContact O-CB 3.43Å; A615-A618 PolarHBondContact O-N 3.45Å; A615-A618 VanDerWaalsContact O-N 3.15Å; A616-A618 VanDerWaalsContact C-N 3.34Å; A618-A622 HydrophobicContact CB-CB 4.32Å; A618-R625 HydrophobicContact CB-CG 4.22Å; A618-R625 PolarHBondContact O-NE 2.93Å; A618-R625 PolarHBondContact O-NH2 2.69Å; A618-R625 VanDerWaalsContact O-NH2 3.15Å
619P89.2Confident92.9Very high82 Ų8264.3 Ų64.353%0.53236%0.361SS..  trans-53.4152.8174.2-27.736.2000113.1D621 A622 R625P619-D621 WeakPolarHBondContact CB-OD1 3.48Å; P619-D621 PolarHBondContact O-N 2.9Å; P619-A622 VanDerWaalsContact O-CB 3.24Å; P619-A622 WeakPolarHBondContact O-CB 2.84Å; P619-A622 PolarHBondContact O-N 3.42Å; P619-A622 VanDerWaalsContact O-N 3.14Å; P619-R625 WeakPolarHBondContact O-CD 3.34Å; P619-R625 PolarHBondContact O-NE 3.47Å
620L86.4Confident92.8Very high133 Ų13368.1 Ų68.170%0.69638%0.379SS*.THydrogen-bonded Turntrans-63.4-26.7-178.7-77.8172.1000113.5P689L620-P689 HydrophobicContact CD1-CG 4.48Å; L620-P689 HydrophobicContact CD2-CG 3.75Å; L620-P689 HydrophobicContact CG-CG 4Å
621D89Confident92.7Very high141 Ų14166.3 Ų66.375%0.75438%0.375SS*.THydrogen-bonded Turntrans-89.51.7179.363.7-32.3000113.4P619P619-D621 WeakPolarHBondContact CB-OD1 3.48Å; P619-D621 PolarHBondContact O-N 2.9Å
622A89.9Confident92.7Very high31 Ų3167.2 Ų67.226%0.25637%0.374SS..  trans-63.3128.9177.900000110.8A618 P619 R625A618-A622 HydrophobicContact CB-CB 4.32Å; P619-A622 VanDerWaalsContact O-CB 3.24Å; P619-A622 WeakPolarHBondContact O-CB 2.84Å; P619-A622 PolarHBondContact O-N 3.42Å; P619-A622 VanDerWaalsContact O-N 3.14Å; A622-R625 HydrophobicContact CB-CB 4.38Å; A622-R625 WeakPolarHBondContact O-CB 3.48Å; A622-R625 PolarHBondContact O-N 3.35Å
623P87.8Confident92.6Very high113 Ų11367.3 Ų67.373%0.73437%0.374SS*.THydrogen-bonded Turntrans-64.9138.717925.6-32.9000110.9R625P623-R625 PolarHBondContact O-N 2.92Å
624N91.4Very high92.4Very high107 Ų10768.2 Ų68.257%0.57238%0.382SS*.THydrogen-bonded Turntrans52.933.8178.9-56.7-11.3000113.6D626 E627 V628N624-D626 PolarHBondContact O-N 2.96Å; N624-E627 HydrophobicContact CB-CB 4.26Å; N624-E627 PolarHBondContact O-N 3.06Å; N624-E627 VanDerWaalsContact O-N 3.12Å; N624-V628 HydrophobicContact CB-CG2 4.38Å; N624-V628 WeakPolarHBondContact O-CG2 3.37Å; N624-V628 PolarHBondContact O-N 2.85Å
625R91.1Very high92.2Very high28 Ų2866.8 Ų66.811%0.10637%0.371CS..Hα-helixtrans-48.5-50.9-174.4-177.7176.8-175.2-101-0.8113.8A618 P619 A622 P623 F629 L686A618-R625 HydrophobicContact CB-CG 4.22Å; A618-R625 PolarHBondContact O-NE 2.93Å; A618-R625 PolarHBondContact O-NH2 2.69Å; A618-R625 VanDerWaalsContact O-NH2 3.15Å; P619-R625 WeakPolarHBondContact O-CD 3.34Å; P619-R625 PolarHBondContact O-NE 3.47Å; A622-R625 HydrophobicContact CB-CB 4.38Å; A622-R625 WeakPolarHBondContact O-CB 3.48Å; A622-R625 PolarHBondContact O-N 3.35Å; P623-R625 PolarHBondContact O-N 2.92Å; R625-F629 WeakPolarHBondContact O-CB 3.35Å; R625-F629 PolarHBondContact O-N 3.06Å; R625-L686 HydrophobicContact CG-CD1 4.09Å; R625-L686 PolarHBondContact NH1-O 2.86Å; R625-L686 PolarHBondContact NH2-O 3.43Å
626D91.3Very high92.2Very high98 Ų9866.3 Ų66.352%0.52437%0.367SS..Hα-helixtrans-67.6-42.4180-64.6-84.2000112N624 V628 F629 E630N624-D626 PolarHBondContact O-N 2.96Å; D626-V628 PolarHBondContact O-N 2.92Å; D626-F629 PolarHBondContact O-N 3.46Å; D626-E630 WeakPolarHBondContact O-CG 3.29Å; D626-E630 PolarHBondContact O-N 3.12Å
627E93.1Very high92.1Very high133 Ų13369.6 Ų69.662%0.62138%0.382SS*.Hα-helixtrans-63.8-42.6177.8-61.5179.7173.300111.9N624 F629 E630 D631N624-E627 HydrophobicContact CB-CB 4.26Å; N624-E627 PolarHBondContact O-N 3.06Å; N624-E627 VanDerWaalsContact O-N 3.12Å; E627-F629 VanDerWaalsContact C-N 3.35Å; E627-E630 PolarHBondContact O-N 3Å; E627-D631 PolarHBondContact O-N 3.44Å
628V94.3Very high91.7Very high66 Ų6670.5 Ų70.540%0.438%0.384SS..Hα-helixtrans-64.3-42176.1173.30000110.3N624 D626 D631 R632N624-V628 HydrophobicContact CB-CG2 4.38Å; N624-V628 WeakPolarHBondContact O-CG2 3.37Å; N624-V628 PolarHBondContact O-N 2.85Å; D626-V628 PolarHBondContact O-N 2.92Å; V628-D631 PolarHBondContact O-N 3.31Å; V628-R632 VanDerWaalsContact O-CG 3.32Å; V628-R632 WeakPolarHBondContact O-CG 3.38Å; V628-R632 PolarHBondContact O-N 3.35Å
629F96.1Very high91.7Very high0 Ų070.9 Ų70.90%038%0.382CS..Hα-helixtrans-60.5-48.8175174.8-89.2000111.6L612 A615 A616 R625 D626 E627 D631 R632 A633 A682 R683 L686L612-F629 HydrophobicContact CD1-CD2 4.08Å; L612-F629 HydrophobicContact CD1-CE2 3.62Å; L612-F629 HydrophobicContact CD1-CZ 4.02Å; A615-F629 HydrophobicContact CB-CD2 4.34Å; A616-F629 HydrophobicContact CB-CD2 4.42Å; A616-F629 HydrophobicContact CB-CE2 4.06Å; R625-F629 WeakPolarHBondContact O-CB 3.35Å; R625-F629 PolarHBondContact O-N 3.06Å; D626-F629 PolarHBondContact O-N 3.46Å; E627-F629 VanDerWaalsContact C-N 3.35Å; F629-D631 VanDerWaalsContact C-N 3.35Å; F629-D631 PolarHBondContact O-N 3.47Å; F629-R632 PolarHBondContact O-N 2.82Å; F629-R632 VanDerWaalsContact O-N 3.16Å; F629-A633 HydrophobicContact CE1-CB 4.26Å; F629-A633 WeakPolarHBondContact O-CB 3.42Å; F629-A633 PolarHBondContact O-N 3.19Å; F629-A682 HydrophobicContact CE2-CB 3.81Å; F629-A682 HydrophobicContact CZ-CB 3.92Å; F629-R683 HydrophobicContact CE1-CB 4.02Å; F629-R683 HydrophobicContact CE1-CG 4.25Å; F629-R683 HydrophobicContact CZ-CB 3.86Å; F629-L686 HydrophobicContact CB-CD1 4.17Å; F629-L686 HydrophobicContact CB-CD2 3.86Å; F629-L686 HydrophobicContact CD1-CD2 3.82Å; F629-L686 HydrophobicContact CD2-CB 4.36Å; F629-L686 HydrophobicContact CD2-CD1 3.96Å; F629-L686 HydrophobicContact CD2-CD2 3.95Å; F629-L686 HydrophobicContact CD2-CG 4.31Å; F629-L686 HydrophobicContact CE1-CD2 4.39Å; F629-L686 HydrophobicContact CE2-CB 4.36Å; F629-L686 HydrophobicContact CE2-CD2 4.48Å; F629-L686 HydrophobicContact CG-CD1 4.2Å; F629-L686 HydrophobicContact CG-CD2 3.59Å; F629-L686 HydrophobicContact CG-CG 4.4Å
630E94.4Very high91.8Very high81 Ų8167 Ų6738%0.37936%0.357SS..Hα-helixtrans-64.4-37.8-179.2-68.2-59.3143.900111.8D626 E627 A633 A634 R683D626-E630 WeakPolarHBondContact O-CG 3.29Å; D626-E630 PolarHBondContact O-N 3.12Å; E627-E630 PolarHBondContact O-N 3Å; E630-A633 PolarHBondContact O-N 3.19Å; E630-A634 VanDerWaalsContact O-CB 3.32Å; E630-A634 WeakPolarHBondContact O-CB 3.31Å; E630-A634 PolarHBondContact O-N 2.8Å; E630-R683 VanDerWaalsContact CD-NH2 3.28Å; E630-R683 IonicContact OE1-CZ 2.94Å; E630-R683 IonicContact OE1-NE 2.76Å; E630-R683 PolarHBondContact OE1-NE 3.32Å; E630-R683 VanDerWaalsContact OE1-NE 3.12Å; E630-R683 IonicContact OE1-NH2 3.49Å; E630-R683 PolarHBondContact OE1-NH2 2.83Å; E630-R683 IonicContact OE2-NH2 3.52Å; E630-R683 PolarHBondContact OE2-NH2 3.33Å
631D93.6Very high91.8Very high80 Ų8064.6 Ų64.643%0.42835%0.345SS..Hα-helixtrans-62.3-44.5171.4177.663.9000111.8E627 V628 F629 N635E627-D631 PolarHBondContact O-N 3.44Å; V628-D631 PolarHBondContact O-N 3.31Å; F629-D631 VanDerWaalsContact C-N 3.35Å; F629-D631 PolarHBondContact O-N 3.47Å; D631-N635 VanDerWaalsContact O-CB 3.3Å; D631-N635 WeakPolarHBondContact O-CB 3.32Å; D631-N635 VanDerWaalsContact O-CG 3.22Å; D631-N635 PolarHBondContact O-N 2.95Å; D631-N635 PolarHBondContact O-ND2 3.35Å; D631-N635 PolarHBondContact OD1-ND2 2.86Å; D631-N635 PolarHBondContact OD2-ND2 2.88Å; D631-N635 VanDerWaalsContact OD2-ND2 3.14Å
632R96.1Very high91.7Very high90 Ų9064.6 Ų64.634%0.3433%0.334SS..Hα-helixtrans-67.4-37.6177.2-64.9-40.1-177.6-168.3-2112.5L611 A615 V628 F629 N635 F636L611-R632 HydrophobicContact CB-CG 4.45Å; A615-R632 HydrophobicContact CB-CB 4.21Å; A615-R632 HydrophobicContact CB-CG 4.02Å; V628-R632 VanDerWaalsContact O-CG 3.32Å; V628-R632 WeakPolarHBondContact O-CG 3.38Å; V628-R632 PolarHBondContact O-N 3.35Å; F629-R632 PolarHBondContact O-N 2.82Å; F629-R632 VanDerWaalsContact O-N 3.16Å; R632-N635 PolarHBondContact O-N 3.37Å; R632-F636 WeakPolarHBondContact O-CB 3.4Å; R632-F636 PolarHBondContact O-N 3.07Å
633A94.4Very high91.8Very high1 Ų163.1 Ų63.11%0.00832%0.322CS..Hα-helixtrans-63.7-50.3175.400000110.9L612 F629 E630 N635 F636 E637 V679L612-A633 HydrophobicContact CD1-CB 4Å; F629-A633 HydrophobicContact CE1-CB 4.26Å; F629-A633 WeakPolarHBondContact O-CB 3.42Å; F629-A633 PolarHBondContact O-N 3.19Å; E630-A633 PolarHBondContact O-N 3.19Å; A633-N635 VanDerWaalsContact C-N 3.32Å; A633-N635 PolarHBondContact O-N 3.35Å; A633-F636 WeakPolarHBondContact O-CB 3.42Å; A633-F636 PolarHBondContact O-N 2.94Å; A633-F636 VanDerWaalsContact O-N 3.12Å; A633-E637 WeakPolarHBondContact O-CG 3.42Å; A633-E637 PolarHBondContact O-N 2.85Å; A633-V679 HydrophobicContact CB-CG1 3.98Å
634A91Very high91.8Very high39 Ų3957.8 Ų57.832%0.32229%0.288SS..Hα-helixtrans-60.3-41.217700000112.1E630 E637 N638E630-A634 VanDerWaalsContact O-CB 3.32Å; E630-A634 WeakPolarHBondContact O-CB 3.31Å; E630-A634 PolarHBondContact O-N 2.8Å; A634-E637 PolarHBondContact O-N 3.21Å; A634-N638 VanDerWaalsContact O-CB 3.29Å; A634-N638 WeakPolarHBondContact O-CB 3.31Å; A634-N638 PolarHBondContact O-N 3.12Å; A634-N638 PolarHBondContact O-ND2 3Å
635N91.5Very high91.5Very high70 Ų7054.4 Ų54.437%0.37428%0.275SS..Hα-helixtrans-63-40.5175.1-77.8-46.6000112.4D631 R632 A633 H639D631-N635 VanDerWaalsContact O-CB 3.3Å; D631-N635 WeakPolarHBondContact O-CB 3.32Å; D631-N635 VanDerWaalsContact O-CG 3.22Å; D631-N635 PolarHBondContact O-N 2.95Å; D631-N635 PolarHBondContact O-ND2 3.35Å; D631-N635 PolarHBondContact OD1-ND2 2.86Å; D631-N635 PolarHBondContact OD2-ND2 2.88Å; D631-N635 VanDerWaalsContact OD2-ND2 3.14Å; R632-N635 PolarHBondContact O-N 3.37Å; A633-N635 VanDerWaalsContact C-N 3.32Å; A633-N635 PolarHBondContact O-N 3.35Å; N635-H639 VanDerWaalsContact O-CB 3.26Å; N635-H639 WeakPolarHBondContact O-CB 3.37Å; N635-H639 PolarHBondContact O-N 3.07Å
636F96.4Very high91.5Very high0 Ų053.2 Ų53.20%027%0.27CS..Hα-helixtrans-63.2-48.9174.3166-109.9000112P608 I609 L612 R632 A633 N638 H639 A640 T675 V678 V679 W705P608-F636 HydrophobicContact CB-CB 4.27Å; P608-F636 HydrophobicContact CB-CD2 4.41Å; I609-F636 HydrophobicContact CB-CD2 3.72Å; I609-F636 HydrophobicContact CB-CE2 3.62Å; I609-F636 HydrophobicContact CD1-CE2 3.76Å; I609-F636 HydrophobicContact CD1-CZ 3.93Å; I609-F636 HydrophobicContact CG1-CD2 4.25Å; I609-F636 HydrophobicContact CG1-CE2 3.87Å; I609-F636 HydrophobicContact CG1-CZ 4.32Å; L612-F636 HydrophobicContact CD2-CB 4.28Å; L612-F636 HydrophobicContact CD2-CD1 3.73Å; L612-F636 HydrophobicContact CD2-CE1 4.26Å; L612-F636 HydrophobicContact CD2-CG 4.04Å; R632-F636 WeakPolarHBondContact O-CB 3.4Å; R632-F636 PolarHBondContact O-N 3.07Å; A633-F636 WeakPolarHBondContact O-CB 3.42Å; A633-F636 PolarHBondContact O-N 2.94Å; A633-F636 VanDerWaalsContact O-N 3.12Å; F636-N638 PolarHBondContact O-N 2.64Å; F636-H639 PolarHBondContact O-N 3.36Å; F636-A640 WeakPolarHBondContact O-CB 3.36Å; F636-A640 PolarHBondContact O-N 3.44Å; F636-T675 HydrophobicContact CD1-CG2 4.28Å; F636-T675 HydrophobicContact CE1-CG2 3.75Å; F636-T675 HydrophobicContact CZ-CG2 4.27Å; F636-V678 HydrophobicContact CE1-CB 4.17Å; F636-V678 HydrophobicContact CE1-CG1 4.05Å; F636-V678 HydrophobicContact CZ-CB 4.36Å; F636-V678 HydrophobicContact CZ-CG1 4.13Å; F636-V679 HydrophobicContact CD1-CG2 3.7Å; F636-V679 HydrophobicContact CE1-CG2 3.94Å; F636-W705 HydrophobicContact CD2-CH2 4.47Å; F636-W705 HydrophobicContact CD2-CZ2 4.38Å; F636-W705 AromaticContact CE2-CD2 3.93Å; F636-W705 HydrophobicContact CE2-CD2 3.93Å; F636-W705 AromaticContact CE2-CE2 3.53Å; F636-W705 HydrophobicContact CE2-CE3 4.13Å; F636-W705 AromaticContact CE2-CH2 3.66Å; F636-W705 HydrophobicContact CE2-CH2 3.66Å; F636-W705 AromaticContact CE2-CZ2 3.4Å; F636-W705 HydrophobicContact CE2-CZ2 3.4Å; F636-W705 HydrophobicContact CE2-CZ3 4.01Å; F636-W705 AromaticContact CZ-CD2 3.92Å; F636-W705 HydrophobicContact CZ-CD2 3.92Å; F636-W705 AromaticContact CZ-CE2 3.57Å; F636-W705 HydrophobicContact CZ-CG 4.25Å; F636-W705 AromaticContact CZ-CZ2 3.92Å; F636-W705 HydrophobicContact CZ-CZ2 3.92Å; F636-W705 AromaticContact CZ-NE1 3.63Å
637E91.6Very high91.5Very high69 Ų6948.5 Ų48.532%0.32225%0.245SC..Hα-helixtrans-61.4-46.3179.1-68.2-175.9154.400111.9A633 A634 H639 A640 N641 T675 V679A633-E637 WeakPolarHBondContact O-CG 3.42Å; A633-E637 PolarHBondContact O-N 2.85Å; A634-E637 PolarHBondContact O-N 3.21Å; E637-H639 VanDerWaalsContact C-N 3.3Å; E637-H639 PolarHBondContact O-N 3.15Å; E637-A640 PolarHBondContact O-N 2.99Å; E637-N641 WeakPolarHBondContact O-CB 3.39Å; E637-N641 VanDerWaalsContact O-CG 3.31Å; E637-N641 PolarHBondContact O-N 3.24Å; E637-N641 PolarHBondContact O-ND2 3.36Å; E637-N641 VanDerWaalsContact O-ND2 3.14Å; E637-T675 HydrophobicContact CB-CG2 4.3Å; E637-T675 HydrophobicContact CG-CG2 3.91Å; E637-V679 HydrophobicContact CG-CG2 3.89Å
638N86.1Confident91.2Very high99 Ų9944.4 Ų44.453%0.52923%0.226SC..Hα-helixtrans-60.2-41.5176.7-75.6-34.6000111.6A634 F636 R642A634-N638 VanDerWaalsContact O-CB 3.29Å; A634-N638 WeakPolarHBondContact O-CB 3.31Å; A634-N638 PolarHBondContact O-N 3.12Å; A634-N638 PolarHBondContact O-ND2 3Å; F636-N638 PolarHBondContact O-N 2.64Å; N638-R642 WeakPolarHBondContact O-CG 3.25Å; N638-R642 PolarHBondContact O-N 3.43Å; N638-R642 VanDerWaalsContact O-N 3.12Å
639H90.1Very high90.9Very high28 Ų2842 Ų4213%0.1321%0.21CC..Hα-helixtrans-69.5-44.3178-177.878.9000112.5D604 P608 N635 F636 E637 N641 R642 L643D604-H639 PolarHBondContact O-CE1 2.87Å; D604-H639 PolarHBondContact O-NE2 3.38Å; P608-H639 HydrophobicContact CB-CB 4.21Å; P608-H639 HydrophobicContact CG-CB 3.91Å; N635-H639 VanDerWaalsContact O-CB 3.26Å; N635-H639 WeakPolarHBondContact O-CB 3.37Å; N635-H639 PolarHBondContact O-N 3.07Å; F636-H639 PolarHBondContact O-N 3.36Å; E637-H639 VanDerWaalsContact C-N 3.3Å; E637-H639 PolarHBondContact O-N 3.15Å; H639-N641 VanDerWaalsContact C-N 3.28Å; H639-N641 PolarHBondContact O-N 2.86Å; H639-R642 WeakPolarHBondContact O-CB 3.32Å; H639-R642 PolarHBondContact O-N 3.1Å; H639-R642 VanDerWaalsContact O-N 3.09Å; H639-L643 WeakPolarHBondContact NE2-CD1 3.47Å; H639-L643 PolarHBondContact O-N 3.31Å
640A92.1Very high90.7Very high1 Ų142 Ų421%0.00821%0.21CC..Hα-helixtrans-58.3-41.317600000111.8F636 E637 L643 G644 T671 T675 W705F636-A640 WeakPolarHBondContact O-CB 3.36Å; F636-A640 PolarHBondContact O-N 3.44Å; E637-A640 PolarHBondContact O-N 2.99Å; A640-L643 PolarHBondContact O-N 3.18Å; A640-G644 PolarHBondContact O-N 3.17Å; A640-T671 HydrophobicContact CB-CG2 4.27Å; A640-T675 HydrophobicContact CB-CG2 3.9Å; A640-T675 WeakPolarHBondContact CB-OG1 3.42Å; A640-W705 HydrophobicContact CB-CZ2 3.8Å
641N87Confident90.4Very high81 Ų8138.2 Ų38.243%0.43319%0.193SC..Hα-helixtrans-63.9-39.8174.7-75.5-34000112.5E637 H639 G644 A645E637-N641 WeakPolarHBondContact O-CB 3.39Å; E637-N641 VanDerWaalsContact O-CG 3.31Å; E637-N641 PolarHBondContact O-N 3.24Å; E637-N641 PolarHBondContact O-ND2 3.36Å; E637-N641 VanDerWaalsContact O-ND2 3.14Å; H639-N641 VanDerWaalsContact C-N 3.28Å; H639-N641 PolarHBondContact O-N 2.86Å; N641-G644 PolarHBondContact O-N 3.3Å; N641-A645 WeakPolarHBondContact O-CB 3.37Å; N641-A645 PolarHBondContact O-N 3.48Å
642R86.7Confident90Very high141 Ų14135 Ų3553%0.53218%0.178SC..Hα-helixtrans-65.5-41.7175.1-73.3172.867.9-1753.5112.3N638 H639 A645 T646N638-R642 WeakPolarHBondContact O-CG 3.25Å; N638-R642 PolarHBondContact O-N 3.43Å; N638-R642 VanDerWaalsContact O-N 3.12Å; H639-R642 WeakPolarHBondContact O-CB 3.32Å; H639-R642 PolarHBondContact O-N 3.1Å; H639-R642 VanDerWaalsContact O-N 3.09Å; R642-A645 PolarHBondContact O-N 2.87Å; R642-T646 WeakPolarHBondContact O-CB 3.45Å; R642-T646 PolarHBondContact O-N 3.45Å; R642-T646 PolarHBondContact O-OG1 3.15Å
643L91.1Very high89.7Confident0 Ų030.8 Ų30.80%016%0.162CC..Hα-helixtrans-57.8-50.1173.5-72.5170000110.5I601 F602 T605 H639 A640 A645 T646 A647 W705 V709 M712I601-L643 HydrophobicContact CG2-CD2 3.93Å; I601-L643 HydrophobicContact CG2-CG 4.48Å; F602-L643 HydrophobicContact CD1-CD2 3.75Å; F602-L643 HydrophobicContact CD2-CD2 4.35Å; F602-L643 HydrophobicContact CE1-CD2 3.81Å; F602-L643 HydrophobicContact CE2-CD2 4.39Å; F602-L643 HydrophobicContact CG-CD2 4.05Å; F602-L643 HydrophobicContact CZ-CD2 4.11Å; T605-L643 HydrophobicContact CG2-CD2 3.91Å; H639-L643 WeakPolarHBondContact NE2-CD1 3.47Å; H639-L643 PolarHBondContact O-N 3.31Å; A640-L643 PolarHBondContact O-N 3.18Å; L643-A645 PolarHBondContact O-N 3.38Å; L643-T646 PolarHBondContact O-N 3.41Å; L643-A647 WeakPolarHBondContact O-CB 3.28Å; L643-A647 PolarHBondContact O-N 3.1Å; L643-W705 HydrophobicContact CD1-CH2 4.28Å; L643-W705 HydrophobicContact CD1-CZ2 4.49Å; L643-V709 HydrophobicContact CD1-CG1 4.24Å; L643-M712 HydrophobicContact CB-CE 3.98Å
644G88.9Confident89.3Confident1 Ų130.9 Ų30.91%0.0116%0.163CC..Hα-helixtrans-61.5-43.817900000113.5A640 N641 T646 A647 E648A640-G644 PolarHBondContact O-N 3.17Å; N641-G644 PolarHBondContact O-N 3.3Å; G644-T646 PolarHBondContact O-N 3.28Å; G644-A647 PolarHBondContact O-N 3.05Å; G644-E648 WeakPolarHBondContact O-CG 3.29Å; G644-E648 PolarHBondContact O-N 3.27Å
645A85.6Confident88.9Confident36 Ų3632.4 Ų32.430%0.29817%0.168SC..Hα-helixtrans-64.7-38.5177.700000112.6N641 R642 L643 E648 K649N641-A645 WeakPolarHBondContact O-CB 3.37Å; N641-A645 PolarHBondContact O-N 3.48Å; R642-A645 PolarHBondContact O-N 2.87Å; L643-A645 PolarHBondContact O-N 3.38Å; A645-E648 PolarHBondContact O-N 2.9Å; A645-K649 WeakPolarHBondContact O-CG 3.36Å; A645-K649 PolarHBondContact O-N 3.4Å
646T89.4Confident88.5Confident3 Ų329.4 Ų29.42%0.01815%0.153CC..Hα-helixtrans-71-39.6177.9-50.90000111.1E597 V598 I601 F602 R642 L643 G644 E648 K649 A650E597-T646 HydrophobicContact CB-CG2 4.49Å; E597-T646 HydrophobicContact CG-CG2 4Å; V598-T646 HydrophobicContact CB-CG2 4.49Å; V598-T646 HydrophobicContact CG2-CG2 3.73Å; I601-T646 HydrophobicContact CB-CG2 4.28Å; I601-T646 HydrophobicContact CG1-CG2 4.41Å; F602-T646 HydrophobicContact CD2-CG2 4.21Å; F602-T646 HydrophobicContact CE2-CG2 3.83Å; R642-T646 WeakPolarHBondContact O-CB 3.45Å; R642-T646 PolarHBondContact O-N 3.45Å; R642-T646 PolarHBondContact O-OG1 3.15Å; L643-T646 PolarHBondContact O-N 3.41Å; G644-T646 PolarHBondContact O-N 3.28Å; T646-E648 PolarHBondContact O-N 2.84Å; T646-K649 WeakPolarHBondContact O-CB 3.35Å; T646-K649 PolarHBondContact O-N 3.32Å; T646-K649 VanDerWaalsContact O-N 3.13Å; T646-A650 PolarHBondContact O-N 3.18Å
647A91.4Very high87.7Confident0 Ų031.2 Ų31.20%016%0.163CC..Hα-helixtrans-59.8-43.4172.500000112F602 L643 G644 K649 A650 A651 I664 V668 M712 V717F602-A647 HydrophobicContact CZ-CB 4.1Å; L643-A647 WeakPolarHBondContact O-CB 3.28Å; L643-A647 PolarHBondContact O-N 3.1Å; G644-A647 PolarHBondContact O-N 3.05Å; A647-K649 VanDerWaalsContact C-N 3.25Å; A647-K649 PolarHBondContact O-N 2.98Å; A647-A650 PolarHBondContact O-N 3.4Å; A647-A651 WeakPolarHBondContact O-CB 3.47Å; A647-A651 PolarHBondContact O-N 3.48Å; A647-I664 HydrophobicContact CB-CG2 3.77Å; A647-I664 WeakPolarHBondContact O-CG2 3.45Å; A647-V668 HydrophobicContact CB-CG2 3.54Å; A647-M712 HydrophobicContact CB-CG 4.01Å; A647-M712 HydrophobicContact CB-SD 3.63Å; A647-V717 HydrophobicContact CB-CG2 3.75Å
648E88.2Confident87.3Confident46 Ų4631.5 Ų31.522%0.21516%0.163CC..Hα-helixtrans-61.8-31.8174.6-76.7175.7167.700112.9R531 G644 A645 T646 A652 V668 R672R531-E648 PolarHBondContact NH2-O 3.26Å; G644-E648 WeakPolarHBondContact O-CG 3.29Å; G644-E648 PolarHBondContact O-N 3.27Å; A645-E648 PolarHBondContact O-N 2.9Å; T646-E648 PolarHBondContact O-N 2.84Å; E648-A652 WeakPolarHBondContact O-CB 3.44Å; E648-A652 PolarHBondContact O-N 2.97Å; E648-A652 VanDerWaalsContact O-N 3.12Å; E648-V668 HydrophobicContact CG-CB 4.45Å; E648-V668 HydrophobicContact CG-CG1 3.99Å; E648-V668 HydrophobicContact CG-CG2 4.22Å; E648-R672 VanDerWaalsContact CD-NH2 3.25Å; E648-R672 IonicContact OE1-CZ 2.62Å; E648-R672 VanDerWaalsContact OE1-CZ 3.23Å; E648-R672 IonicContact OE1-NH1 2.75Å; E648-R672 PolarHBondContact OE1-NH1 3.09Å; E648-R672 IonicContact OE1-NH2 3.11Å; E648-R672 PolarHBondContact OE1-NH2 3.09Å; E648-R672 IonicContact OE2-CZ 2.62Å; E648-R672 IonicContact OE2-NH1 3.52Å; E648-R672 IonicContact OE2-NH2 3.3Å; E648-R672 PolarHBondContact OE2-NH2 2.76Å
649K87.8Confident87Confident15 Ų1529.4 Ų29.47%0.06516%0.156CC..Hα-helixtrans-70-45173.1-70.3167.6170.8-1730111.6R531 L532 E597 A645 T646 A647 A651 A652 V653R531-K649 VanDerWaalsContact NH2-CA 3.27Å; L532-K649 HydrophobicContact CD2-CB 4.23Å; L532-K649 HydrophobicContact CD2-CD 3.85Å; L532-K649 HydrophobicContact CD2-CG 4.24Å; E597-K649 IonicContact OE1-NZ 3.64Å; E597-K649 PolarHBondContact OE1-NZ 3.45Å; E597-K649 WeakPolarHBondContact OE2-CD 3.33Å; E597-K649 IonicContact OE2-NZ 2.66Å; E597-K649 PolarHBondContact OE2-NZ 3.31Å; A645-K649 WeakPolarHBondContact O-CG 3.36Å; A645-K649 PolarHBondContact O-N 3.4Å; T646-K649 WeakPolarHBondContact O-CB 3.35Å; T646-K649 PolarHBondContact O-N 3.32Å; T646-K649 VanDerWaalsContact O-N 3.13Å; A647-K649 VanDerWaalsContact C-N 3.25Å; A647-K649 PolarHBondContact O-N 2.98Å; K649-A651 VanDerWaalsContact C-N 3.29Å; K649-A651 PolarHBondContact O-N 3.29Å; K649-A652 PolarHBondContact O-N 2.94Å; K649-A652 VanDerWaalsContact O-N 3.15Å; K649-V653 PolarHBondContact O-N 3.08Å
650A90.7Very high86.8Confident0 Ų028.5 Ų28.50%015%0.153CC..Hα-helixtrans-60.1-39.7174.300000111.8M594 V598 T646 A647 A652 G654 V717M594-A650 HydrophobicContact CG-CB 4.45Å; M594-A650 HydrophobicContact SD-CB 3.85Å; V598-A650 HydrophobicContact CG2-CB 4.2Å; T646-A650 PolarHBondContact O-N 3.18Å; A647-A650 PolarHBondContact O-N 3.4Å; A650-A652 PolarHBondContact O-N 3.35Å; A650-G654 WeakPolarHBondContact O-CA 3.26Å; A650-G654 PolarHBondContact O-N 2.96Å; A650-V717 HydrophobicContact CB-CG1 4Å
651A88.6Confident86.6Confident3 Ų328.5 Ų28.53%0.02515%0.153CC..Hα-helixtrans-65.8-3617500000112.9A647 K649 V661 I664A647-A651 WeakPolarHBondContact O-CB 3.47Å; A647-A651 PolarHBondContact O-N 3.48Å; K649-A651 VanDerWaalsContact C-N 3.29Å; K649-A651 PolarHBondContact O-N 3.29Å; A651-V661 HydrophobicContact CB-CG1 4.19Å; A651-V661 HydrophobicContact CB-CG2 4.41Å; A651-V661 WeakPolarHBondContact O-CG2 3.36Å; A651-I664 HydrophobicContact CB-CB 3.92Å; A651-I664 HydrophobicContact CB-CD1 3.74Å; A651-I664 HydrophobicContact CB-CG1 4.42Å; A651-I664 HydrophobicContact CB-CG2 3.84Å
652A86.3Confident86.5Confident13 Ų1327.7 Ų27.711%0.10715%0.146CC..Hα-helixtrans-79.2-32.5-17700000113.7E528 E648 K649 A650E528-A652 HydrophobicContact CG-CB 3.99Å; E648-A652 WeakPolarHBondContact O-CB 3.44Å; E648-A652 PolarHBondContact O-N 2.97Å; E648-A652 VanDerWaalsContact O-N 3.12Å; K649-A652 PolarHBondContact O-N 2.94Å; K649-A652 VanDerWaalsContact O-N 3.15Å; A650-A652 PolarHBondContact O-N 3.35Å
653V88.8Confident86.5Confident1 Ų122 Ų221%0.00613%0.132CC..Hα-helixtrans-122.1-7-167.8-178.30000112.9L496 E528 L532 M590 Q591 M594 K649L496-V653 VanDerWaalsContact CD2-O 3.25Å; L496-V653 WeakPolarHBondContact CD2-O 3.47Å; E528-V653 HydrophobicContact CB-CG2 3.98Å; E528-V653 HydrophobicContact CG-CG2 4.48Å; L532-V653 HydrophobicContact CD1-CB 4.38Å; L532-V653 HydrophobicContact CD1-CG1 4.04Å; L532-V653 HydrophobicContact CD1-CG2 3.91Å; M590-V653 HydrophobicContact CB-CG1 3.5Å; Q591-V653 HydrophobicContact CG-CG1 4.15Å; Q591-V653 VanDerWaalsContact CG-O 3.3Å; Q591-V653 WeakPolarHBondContact CG-O 3.48Å; M594-V653 HydrophobicContact CB-CG1 4.44Å; K649-V653 PolarHBondContact O-N 3.08Å
654G86.5Confident86.5Confident3 Ų322 Ų223%0.03113%0.132CC..SBendtrans-73.3-177.8178.500000114.2A650 A656 A720A650-G654 WeakPolarHBondContact O-CA 3.26Å; A650-G654 PolarHBondContact O-N 2.96Å; G654-A656 PolarHBondContact O-N 3.39Å; G654-A720 CarbonylContact C-O 3.55Å; G654-A720 WeakPolarHBondContact CA-O 3.34Å
655T82.3Confident86.5Confident70 Ų7026.2 Ų26.243%0.42915%0.151SC..SBendtrans-83.65.517352.40000112.8A720T655-A720 PolarHBondContact N-O 3.47Å; T655-A720 PolarHBondContact OG1-O 3.15Å
656A82.3Confident86.5Confident7 Ų727.4 Ų27.46%0.05816%0.161CC..  trans-62.1140-177.200000113.4G654 T660 V661 A720G654-A656 PolarHBondContact O-N 3.39Å; A656-T660 HydrophobicContact CB-CG2 3.94Å; A656-V661 HydrophobicContact CB-CG2 3.75Å; A656-A720 HydrophobicContact CB-CB 3.69Å
657N79.8Confident86.6Confident39 Ų3927.4 Ų27.421%0.20916%0.161CC..  trans-75173.5166.96825.3000111.1S659 T660 V661 N984N657-S659 VanDerWaalsContact C-N 3.29Å; N657-S659 PolarHBondContact ND2-OG 2.85Å; N657-S659 PolarHBondContact O-N 3.46Å; N657-S659 PolarHBondContact OD1-N 3.32Å; N657-S659 PolarHBondContact OD1-OG 2.9Å; N657-T660 PolarHBondContact O-N 3.06Å; N657-T660 PolarHBondContact OD1-N 3.46Å; N657-T660 PolarHBondContact OD1-OG1 2.94Å; N657-V661 WeakPolarHBondContact O-CG2 3.3Å; N657-V661 PolarHBondContact O-N 2.7Å; N657-N984 PolarHBondContact ND2-ND2 2.97Å; N657-N984 PolarHBondContact ND2-OD1 3.45Å
658K82.7Confident86.5Confident75 Ų7527.4 Ų27.433%0.32616%0.161SC..Hα-helixtrans-53.3-44-179.7-177-176.5173.1-172.40112.5E186 V494 V661 E662E186-K658 IonicContact OE1-NZ 3.98Å; E186-K658 PolarHBondContact OE1-NZ 3.49Å; V494-K658 HydrophobicContact CG2-CG 4.04Å; K658-V661 PolarHBondContact O-N 2.65Å; K658-E662 WeakPolarHBondContact CE-OE1 3.27Å; K658-E662 WeakPolarHBondContact O-CG 3.47Å; K658-E662 PolarHBondContact O-N 3.49Å
659S81.8Confident86.5Confident55 Ų5528.6 Ų28.639%0.38517%0.166SC..Hα-helixtrans-66.6-41.3-178.443.30000113.1N657 V661 E662 G663N657-S659 VanDerWaalsContact C-N 3.29Å; N657-S659 PolarHBondContact ND2-OG 2.85Å; N657-S659 PolarHBondContact O-N 3.46Å; N657-S659 PolarHBondContact OD1-N 3.32Å; N657-S659 PolarHBondContact OD1-OG 2.9Å; S659-V661 VanDerWaalsContact C-N 3.35Å; S659-E662 PolarHBondContact O-N 3.49Å; S659-G663 PolarHBondContact O-N 3.26Å
660T85.8Confident86.6Confident8 Ų829.5 Ų29.55%0.04917%0.174CC..Hα-helixtrans-67.9-39.3178.6-53.80000109.9A656 N657 G663 I664 L716 E719A656-T660 HydrophobicContact CB-CG2 3.94Å; N657-T660 PolarHBondContact O-N 3.06Å; N657-T660 PolarHBondContact OD1-N 3.46Å; N657-T660 PolarHBondContact OD1-OG1 2.94Å; T660-G663 PolarHBondContact O-N 3.45Å; T660-I664 HydrophobicContact CG2-CD1 4.42Å; T660-I664 VanDerWaalsContact O-CG1 3.3Å; T660-I664 WeakPolarHBondContact O-CG1 3.11Å; T660-I664 PolarHBondContact O-N 2.89Å; T660-L716 HydrophobicContact CG2-CD2 4.25Å; T660-E719 HydrophobicContact CG2-CB 4.44Å; T660-E719 HydrophobicContact CG2-CG 4.12Å; T660-E719 PolarHBondContact OG1-OE1 3.47Å
661V87.6Confident86.7Confident1 Ų129.5 Ų29.51%0.00617%0.174CC..Hα-helixtrans-59.1-48.5172.3170.60000112V494 H495 A651 A656 N657 K658 S659 G663 I664 Q665V494-V661 HydrophobicContact CB-CG1 4.39Å; H495-V661 HydrophobicContact CB-CG2 3.93Å; A651-V661 HydrophobicContact CB-CG1 4.19Å; A651-V661 HydrophobicContact CB-CG2 4.41Å; A651-V661 WeakPolarHBondContact O-CG2 3.36Å; A656-V661 HydrophobicContact CB-CG2 3.75Å; N657-V661 WeakPolarHBondContact O-CG2 3.3Å; N657-V661 PolarHBondContact O-N 2.7Å; K658-V661 PolarHBondContact O-N 2.65Å; S659-V661 VanDerWaalsContact C-N 3.35Å; V661-G663 VanDerWaalsContact C-N 3.32Å; V661-G663 PolarHBondContact O-N 2.88Å; V661-I664 PolarHBondContact O-N 3.46Å; V661-Q665 VanDerWaalsContact O-CG 3.32Å; V661-Q665 WeakPolarHBondContact O-CG 3.15Å; V661-Q665 PolarHBondContact O-N 3.23Å
662E85Confident86.7Confident65 Ų6533.3 Ų33.330%0.30419%0.187SC..Hα-helixtrans-63.2-39.1177.4-73.1175.4171.800111.8K658 S659 Q665 A666K658-E662 WeakPolarHBondContact CE-OE1 3.27Å; K658-E662 WeakPolarHBondContact O-CG 3.47Å; K658-E662 PolarHBondContact O-N 3.49Å; S659-E662 PolarHBondContact O-N 3.49Å; E662-Q665 PolarHBondContact O-N 2.75Å; E662-A666 WeakPolarHBondContact O-CB 3.47Å; E662-A666 PolarHBondContact O-N 2.95Å
663G86.9Confident86.8Confident22 Ų2234.9 Ų34.923%0.22719%0.194CC..Hα-helixtrans-60.6-45.6173.400000112.7S659 T660 V661 A666 A667 L716S659-G663 PolarHBondContact O-N 3.26Å; T660-G663 PolarHBondContact O-N 3.45Å; V661-G663 VanDerWaalsContact C-N 3.32Å; V661-G663 PolarHBondContact O-N 2.88Å; G663-A666 PolarHBondContact O-N 2.96Å; G663-A667 PolarHBondContact O-N 3.34Å; G663-L716 VanDerWaalsContact C-CD1 3.49Å; G663-L716 WeakPolarHBondContact O-CD1 3.46Å
664I90Very high87Confident0 Ų035.3 Ų35.30%020%0.196CC..Hα-helixtrans-60.4-49.1175.2-65.9166.8000109.9A647 A651 T660 V661 A666 A667 V668 L716 V717 A720A647-I664 HydrophobicContact CB-CG2 3.77Å; A647-I664 WeakPolarHBondContact O-CG2 3.45Å; A651-I664 HydrophobicContact CB-CB 3.92Å; A651-I664 HydrophobicContact CB-CD1 3.74Å; A651-I664 HydrophobicContact CB-CG1 4.42Å; A651-I664 HydrophobicContact CB-CG2 3.84Å; T660-I664 HydrophobicContact CG2-CD1 4.42Å; T660-I664 VanDerWaalsContact O-CG1 3.3Å; T660-I664 WeakPolarHBondContact O-CG1 3.11Å; T660-I664 PolarHBondContact O-N 2.89Å; V661-I664 PolarHBondContact O-N 3.46Å; I664-A666 VanDerWaalsContact C-N 3.29Å; I664-A666 PolarHBondContact O-N 3.44Å; I664-A667 PolarHBondContact O-N 3.42Å; I664-A667 VanDerWaalsContact O-N 3.15Å; I664-V668 HydrophobicContact CG2-CG2 4.1Å; I664-V668 VanDerWaalsContact O-CG2 3.3Å; I664-V668 WeakPolarHBondContact O-CG2 3.42Å; I664-V668 PolarHBondContact O-N 3.29Å; I664-L716 HydrophobicContact CD1-CB 4.49Å; I664-L716 HydrophobicContact CG1-CB 3.57Å; I664-V717 HydrophobicContact CD1-CG2 4.47Å; I664-V717 HydrophobicContact CG1-CG2 4.45Å; I664-V717 HydrophobicContact CG2-CG2 4.46Å; I664-A720 HydrophobicContact CD1-CB 3.97Å
665Q88.1Confident87.4Confident88 Ų8835.4 Ų35.441%0.41120%0.196SC..Hα-helixtrans-60.1-39.5-179.1-71.7174.50.500112.3V661 E662 V668 K669V661-Q665 VanDerWaalsContact O-CG 3.32Å; V661-Q665 WeakPolarHBondContact O-CG 3.15Å; V661-Q665 PolarHBondContact O-N 3.23Å; E662-Q665 PolarHBondContact O-N 2.75Å; Q665-V668 PolarHBondContact O-N 3.05Å; Q665-K669 WeakPolarHBondContact O-CB 3.44Å; Q665-K669 PolarHBondContact O-N 2.88Å
666A86.2Confident87.9Confident61 Ų6134.6 Ų34.650%0.50419%0.192SC..Hα-helixtrans-64.3-45.4174.700000111.8E662 G663 I664 V668 K669 S670E662-A666 WeakPolarHBondContact O-CB 3.47Å; E662-A666 PolarHBondContact O-N 2.95Å; G663-A666 PolarHBondContact O-N 2.96Å; I664-A666 VanDerWaalsContact C-N 3.29Å; I664-A666 PolarHBondContact O-N 3.44Å; A666-V668 PolarHBondContact O-N 2.94Å; A666-K669 PolarHBondContact O-N 2.93Å; A666-S670 PolarHBondContact O-N 3.42Å
667A91.1Very high88.4Confident3 Ų335.2 Ų35.23%0.02519%0.194CC..Hα-helixtrans-63.9-39.7177.600000111.9G663 I664 S670 T671 N708 M712 L716G663-A667 PolarHBondContact O-N 3.34Å; I664-A667 PolarHBondContact O-N 3.42Å; I664-A667 VanDerWaalsContact O-N 3.15Å; A667-S670 PolarHBondContact O-N 2.9Å; A667-T671 PolarHBondContact O-N 3.48Å; A667-T671 PolarHBondContact O-OG1 3.01Å; A667-N708 PolarHBondContact O-ND2 3Å; A667-M712 HydrophobicContact CB-CB 3.88Å; A667-M712 HydrophobicContact CB-CG 4.18Å; A667-L716 HydrophobicContact CB-CD1 4.09Å
668V90.9Very high89.2Confident0 Ų033.4 Ų33.40%018%0.184CC..Hα-helixtrans-63.9-43.6174.61730000111.5A647 E648 I664 Q665 A666 S670 T671 R672 M712A647-V668 HydrophobicContact CB-CG2 3.54Å; E648-V668 HydrophobicContact CG-CB 4.45Å; E648-V668 HydrophobicContact CG-CG1 3.99Å; E648-V668 HydrophobicContact CG-CG2 4.22Å; I664-V668 HydrophobicContact CG2-CG2 4.1Å; I664-V668 VanDerWaalsContact O-CG2 3.3Å; I664-V668 WeakPolarHBondContact O-CG2 3.42Å; I664-V668 PolarHBondContact O-N 3.29Å; Q665-V668 PolarHBondContact O-N 3.05Å; A666-V668 PolarHBondContact O-N 2.94Å; V668-S670 VanDerWaalsContact C-N 3.32Å; V668-S670 PolarHBondContact O-N 3.46Å; V668-T671 PolarHBondContact O-N 3.37Å; V668-R672 WeakPolarHBondContact O-CG 3.33Å; V668-R672 PolarHBondContact O-N 3.45Å; V668-M712 HydrophobicContact CG2-SD 3.76Å
669K87.4Confident89.9Confident72 Ų7230 Ų3031%0.31317%0.17SC..Hα-helixtrans-58.1-47.4174.7-173.3174.6-178173.80110E264 Q665 A666 T671 R672 D673E264-K669 IonicContact OE2-NZ 3.78Å; E264-K669 PolarHBondContact OE2-NZ 3.04Å; Q665-K669 WeakPolarHBondContact O-CB 3.44Å; Q665-K669 PolarHBondContact O-N 2.88Å; A666-K669 PolarHBondContact O-N 2.93Å; K669-T671 PolarHBondContact O-N 3Å; K669-R672 PolarHBondContact O-N 2.96Å; K669-D673 VanDerWaalsContact O-CB 3.3Å; K669-D673 WeakPolarHBondContact O-CB 3.47Å; K669-D673 VanDerWaalsContact O-CG 3.23Å; K669-D673 PolarHBondContact O-N 2.85Å
670S89.4Confident90.5Very high33 Ų3328.4 Ų28.423%0.23116%0.158CC..Hα-helixtrans-60.7-43.8176.5-173.80000112.8A666 A667 V668 R672 D673 L674 N708A666-S670 PolarHBondContact O-N 3.42Å; A667-S670 PolarHBondContact O-N 2.9Å; V668-S670 VanDerWaalsContact C-N 3.32Å; V668-S670 PolarHBondContact O-N 3.46Å; S670-R672 VanDerWaalsContact C-N 3.35Å; S670-R672 PolarHBondContact O-N 2.67Å; S670-D673 PolarHBondContact O-N 3.2Å; S670-L674 WeakPolarHBondContact O-CB 3.21Å; S670-L674 VanDerWaalsContact O-CG 3.29Å; S670-L674 WeakPolarHBondContact O-CG 3.49Å; S670-L674 PolarHBondContact O-N 3.11Å; S670-N708 WeakPolarHBondContact CB-OD1 3.35Å; S670-N708 PolarHBondContact OG-OD1 3.04Å
671T92.8Very high91Very high0 Ų028 Ų280%016%0.156CC..Hα-helixtrans-59.3-45.9175.8-65.80000111.2A640 A667 V668 K669 T675 N708A640-T671 HydrophobicContact CB-CG2 4.27Å; A667-T671 PolarHBondContact O-N 3.48Å; A667-T671 PolarHBondContact O-OG1 3.01Å; V668-T671 PolarHBondContact O-N 3.37Å; K669-T671 PolarHBondContact O-N 3Å; T671-T675 VanDerWaalsContact O-CB 3.29Å; T671-T675 WeakPolarHBondContact O-CB 3.23Å; T671-T675 PolarHBondContact O-N 3.47Å; T671-T675 PolarHBondContact O-OG1 2.88Å; T671-N708 PolarHBondContact N-ND2 2.93Å; T671-N708 PolarHBondContact OG1-ND2 3.07Å
672R89.8Confident91.3Very high83 Ų8328 Ų2831%0.31316%0.156SC..Hα-helixtrans-64-41.7178.5-73.3179.2175.1148.54.1112E648 V668 K669 S670 P676E648-R672 VanDerWaalsContact CD-NH2 3.25Å; E648-R672 IonicContact OE1-CZ 2.62Å; E648-R672 VanDerWaalsContact OE1-CZ 3.23Å; E648-R672 IonicContact OE1-NH1 2.75Å; E648-R672 PolarHBondContact OE1-NH1 3.09Å; E648-R672 IonicContact OE1-NH2 3.11Å; E648-R672 PolarHBondContact OE1-NH2 3.09Å; E648-R672 IonicContact OE2-CZ 2.62Å; E648-R672 IonicContact OE2-NH1 3.52Å; E648-R672 IonicContact OE2-NH2 3.3Å; E648-R672 PolarHBondContact OE2-NH2 2.76Å; V668-R672 WeakPolarHBondContact O-CG 3.33Å; V668-R672 PolarHBondContact O-N 3.45Å; K669-R672 PolarHBondContact O-N 2.96Å; S670-R672 VanDerWaalsContact C-N 3.35Å; S670-R672 PolarHBondContact O-N 2.67Å; R672-P676 WeakPolarHBondContact O-CD 3.42Å
673D87.9Confident91.8Very high47 Ų4727.6 Ų27.625%0.25115%0.152SC..Hα-helixtrans-67.1-43.7-179.7-79.52.3000111.8F232 K236 K669 S670 Q677F232-D673 HydrophobicContact CZ-CB 3.97Å; K236-D673 IonicContact NZ-OD2 2.62Å; K236-D673 PolarHBondContact NZ-OD2 3.23Å; K669-D673 VanDerWaalsContact O-CB 3.3Å; K669-D673 WeakPolarHBondContact O-CB 3.47Å; K669-D673 VanDerWaalsContact O-CG 3.23Å; K669-D673 PolarHBondContact O-N 2.85Å; S670-D673 PolarHBondContact O-N 3.2Å; D673-Q677 WeakPolarHBondContact O-CG 3.5Å
674L91.9Very high92.1Very high9 Ų926.6 Ų26.65%0.04714%0.141CC..Hα-helixtrans-78.8-30.2-177-68.9173000113.8S670 Q677 V678 Q704S670-L674 WeakPolarHBondContact O-CB 3.21Å; S670-L674 VanDerWaalsContact O-CG 3.29Å; S670-L674 WeakPolarHBondContact O-CG 3.49Å; S670-L674 PolarHBondContact O-N 3.11Å; L674-Q677 WeakPolarHBondContact O-CA 3.45Å; L674-Q677 WeakPolarHBondContact O-CB 3.45Å; L674-Q677 PolarHBondContact O-N 3.12Å; L674-V678 WeakPolarHBondContact O-CG2 3.32Å; L674-V678 PolarHBondContact O-N 3.43Å; L674-Q704 HydrophobicContact CD1-CG 3.83Å; L674-Q704 HydrophobicContact CD2-CG 4.31Å
675T95Very high92.3Very high5 Ų527 Ų273%0.03114%0.143CC..Hα-helixtrans-54.2-50.3-173.1-67.60000112.9F636 E637 A640 T671 Q677 V678 V679 W705F636-T675 HydrophobicContact CD1-CG2 4.28Å; F636-T675 HydrophobicContact CE1-CG2 3.75Å; F636-T675 HydrophobicContact CZ-CG2 4.27Å; E637-T675 HydrophobicContact CB-CG2 4.3Å; E637-T675 HydrophobicContact CG-CG2 3.91Å; A640-T675 HydrophobicContact CB-CG2 3.9Å; A640-T675 WeakPolarHBondContact CB-OG1 3.42Å; T671-T675 VanDerWaalsContact O-CB 3.29Å; T671-T675 WeakPolarHBondContact O-CB 3.23Å; T671-T675 PolarHBondContact O-N 3.47Å; T671-T675 PolarHBondContact O-OG1 2.88Å; T675-Q677 VanDerWaalsContact C-N 3.29Å; T675-Q677 PolarHBondContact O-N 3.18Å; T675-V678 PolarHBondContact O-N 3.41Å; T675-V679 PolarHBondContact O-N 3.21Å; T675-W705 PolarHBondContact OG1-NE1 3.29Å
676P93.5Very high92.5Very high54 Ų5422.9 Ų22.935%0.35112%0.124SC..Hα-helixtrans-66.7-28.7176.7-20.633.5000113.6R672 V679 S680R672-P676 WeakPolarHBondContact O-CD 3.42Å; P676-V679 PolarHBondContact O-N 3.39Å; P676-S680 WeakPolarHBondContact O-CB 3.4Å; P676-S680 PolarHBondContact O-N 2.89Å; P676-S680 PolarHBondContact O-OG 3.19Å
677Q93.9Very high92.7Very high20 Ų2024.2 Ų24.29%0.09312%0.116CC..Hα-helixtrans-70.1-41178.6-47.6-54.6-48.500110.7N229 F232 D673 L674 T675 S680 A681 M701N229-Q677 PolarHBondContact ND2-OE1 2.78Å; F232-Q677 HydrophobicContact CD1-CG 3.61Å; F232-Q677 HydrophobicContact CE1-CG 3.65Å; F232-Q677 VanDerWaalsContact CG-CD 3.47Å; F232-Q677 HydrophobicContact CG-CG 4.18Å; F232-Q677 HydrophobicContact CZ-CG 4.23Å; D673-Q677 WeakPolarHBondContact O-CG 3.5Å; L674-Q677 WeakPolarHBondContact O-CA 3.45Å; L674-Q677 WeakPolarHBondContact O-CB 3.45Å; L674-Q677 PolarHBondContact O-N 3.12Å; T675-Q677 VanDerWaalsContact C-N 3.29Å; T675-Q677 PolarHBondContact O-N 3.18Å; Q677-S680 PolarHBondContact O-N 2.82Å; Q677-A681 WeakPolarHBondContact O-CB 3.24Å; Q677-A681 PolarHBondContact O-N 2.77Å; Q677-M701 HydrophobicContact CB-CE 4.02Å; Q677-M701 HydrophobicContact CB-SD 4.24Å
678V96.4Very high92.6Very high0 Ų024.9 Ų24.90%012%0.119CC..Hα-helixtrans-60.8-45.8173.4174.90000111I609 L612 F636 L674 T675 S680 A681 A682 F698 M701 W705I609-V678 HydrophobicContact CD1-CG1 3.99Å; I609-V678 HydrophobicContact CG1-CG1 4.49Å; L612-V678 HydrophobicContact CD2-CG1 4.43Å; F636-V678 HydrophobicContact CE1-CB 4.17Å; F636-V678 HydrophobicContact CE1-CG1 4.05Å; F636-V678 HydrophobicContact CZ-CB 4.36Å; F636-V678 HydrophobicContact CZ-CG1 4.13Å; L674-V678 WeakPolarHBondContact O-CG2 3.32Å; L674-V678 PolarHBondContact O-N 3.43Å; T675-V678 PolarHBondContact O-N 3.41Å; V678-S680 VanDerWaalsContact C-N 3.32Å; V678-S680 PolarHBondContact O-N 3.27Å; V678-A681 PolarHBondContact O-N 3.14Å; V678-A682 WeakPolarHBondContact O-CB 3.36Å; V678-A682 PolarHBondContact O-N 2.9Å; V678-F698 HydrophobicContact CG1-CE2 4.16Å; V678-M701 HydrophobicContact CG2-CB 4.06Å; V678-M701 WeakPolarHBondContact CG2-O 3.38Å; V678-W705 HydrophobicContact CG2-CB 3.81Å; V678-W705 HydrophobicContact CG2-CG 4.25Å
679V96.4Very high92.4Very high4 Ų428.1 Ų28.12%0.02414%0.14CC..Hα-helixtrans-62.7-41.4178.1173.80000111.1L612 A633 F636 E637 T675 P676 A682 R683L612-V679 HydrophobicContact CD2-CG2 4.28Å; A633-V679 HydrophobicContact CB-CG1 3.98Å; F636-V679 HydrophobicContact CD1-CG2 3.7Å; F636-V679 HydrophobicContact CE1-CG2 3.94Å; E637-V679 HydrophobicContact CG-CG2 3.89Å; T675-V679 PolarHBondContact O-N 3.21Å; P676-V679 PolarHBondContact O-N 3.39Å; V679-A682 PolarHBondContact O-N 3.34Å; V679-R683 WeakPolarHBondContact O-CB 3.43Å; V679-R683 PolarHBondContact O-N 3.4Å
680S94.6Very high92.2Very high21 Ų2128.6 Ų28.615%0.14717%0.166CC..Hα-helixtrans-62.2-47.3175.8-59.80000111.6N229 P676 Q677 V678 A682 R683 I684N229-S680 WeakPolarHBondContact ND2-CB 3.36Å; N229-S680 WeakPolarHBondContact OD1-CB 3.45Å; P676-S680 WeakPolarHBondContact O-CB 3.4Å; P676-S680 PolarHBondContact O-N 2.89Å; P676-S680 PolarHBondContact O-OG 3.19Å; Q677-S680 PolarHBondContact O-N 2.82Å; V678-S680 VanDerWaalsContact C-N 3.32Å; V678-S680 PolarHBondContact O-N 3.27Å; S680-A682 VanDerWaalsContact C-N 3.33Å; S680-A682 PolarHBondContact O-N 3.12Å; S680-R683 PolarHBondContact O-N 2.75Å; S680-R683 VanDerWaalsContact O-N 3.14Å; S680-I684 WeakPolarHBondContact O-CG1 3.33Å; S680-I684 PolarHBondContact O-N 2.91Å
681A95.2Very high92.1Very high0 Ų028.7 Ų28.70%016%0.164CC..Hα-helixtrans-61.4-40.2175.900000112.2Q677 V678 R683 I684 L685 F698 M701Q677-A681 WeakPolarHBondContact O-CB 3.24Å; Q677-A681 PolarHBondContact O-N 2.77Å; V678-A681 PolarHBondContact O-N 3.14Å; A681-R683 VanDerWaalsContact C-N 3.33Å; A681-R683 PolarHBondContact O-N 3.34Å; A681-I684 PolarHBondContact O-N 3.3Å; A681-L685 PolarHBondContact O-N 3.3Å; A681-F698 HydrophobicContact CB-CB 4.4Å; A681-F698 HydrophobicContact CB-CD2 4.38Å; A681-M701 HydrophobicContact CB-CB 4.31Å; A681-M701 HydrophobicContact CB-CG 4.1Å
682A95.9Very high92Very high0 Ų034.2 Ų34.20%019%0.19CC..Hα-helixtrans-63.5-38.6174.600000111.8L612 A616 F629 V678 V679 S680 L685 L686 F698L612-A682 HydrophobicContact CD1-CB 4.22Å; L612-A682 HydrophobicContact CD2-CB 4.25Å; L612-A682 HydrophobicContact CG-CB 4.13Å; A616-A682 HydrophobicContact CB-CB 4.14Å; F629-A682 HydrophobicContact CE2-CB 3.81Å; F629-A682 HydrophobicContact CZ-CB 3.92Å; V678-A682 WeakPolarHBondContact O-CB 3.36Å; V678-A682 PolarHBondContact O-N 2.9Å; V679-A682 PolarHBondContact O-N 3.34Å; S680-A682 VanDerWaalsContact C-N 3.33Å; S680-A682 PolarHBondContact O-N 3.12Å; A682-L685 WeakPolarHBondContact O-CB 3.43Å; A682-L685 PolarHBondContact O-N 3.23Å; A682-L686 PolarHBondContact O-N 3.16Å; A682-F698 HydrophobicContact CB-CD2 3.76Å; A682-F698 HydrophobicContact CB-CE2 3.58Å; A682-F698 HydrophobicContact CB-CZ 4.44Å
683R94.9Very high92Very high58 Ų5830.9 Ų30.922%0.21918%0.179CC..Hα-helixtrans-69.7-36.6176.9-169.6177-74144.1-0.3111.9F629 E630 V679 S680 A681 L685 L686 R687F629-R683 HydrophobicContact CE1-CB 4.02Å; F629-R683 HydrophobicContact CE1-CG 4.25Å; F629-R683 HydrophobicContact CZ-CB 3.86Å; E630-R683 VanDerWaalsContact CD-NH2 3.28Å; E630-R683 IonicContact OE1-CZ 2.94Å; E630-R683 IonicContact OE1-NE 2.76Å; E630-R683 PolarHBondContact OE1-NE 3.32Å; E630-R683 VanDerWaalsContact OE1-NE 3.12Å; E630-R683 IonicContact OE1-NH2 3.49Å; E630-R683 PolarHBondContact OE1-NH2 2.83Å; E630-R683 IonicContact OE2-NH2 3.52Å; E630-R683 PolarHBondContact OE2-NH2 3.33Å; V679-R683 WeakPolarHBondContact O-CB 3.43Å; V679-R683 PolarHBondContact O-N 3.4Å; S680-R683 PolarHBondContact O-N 2.75Å; S680-R683 VanDerWaalsContact O-N 3.14Å; A681-R683 VanDerWaalsContact C-N 3.33Å; A681-R683 PolarHBondContact O-N 3.34Å; R683-L685 VanDerWaalsContact C-N 3.33Å; R683-L686 WeakPolarHBondContact O-CB 3.48Å; R683-L686 PolarHBondContact O-N 3.47Å; R683-R687 WeakPolarHBondContact O-CG 3.37Å; R683-R687 PolarHBondContact O-N 3.16Å
684I93.1Very high92.1Very high0 Ų028.7 Ų28.70%017%0.168CC..Hα-helixtrans-60.1-46.3170.9-64164.9000109.7I211 T215 E225 A226 S680 A681 L686 R687 N688 A694I211-I684 HydrophobicContact CD1-CG2 4.02Å; I211-I684 HydrophobicContact CG1-CD1 4.43Å; I211-I684 HydrophobicContact CG1-CG2 3.9Å; T215-I684 HydrophobicContact CG2-CG2 4.31Å; E225-I684 HydrophobicContact CB-CD1 3.9Å; E225-I684 HydrophobicContact CB-CG1 3.7Å; A226-I684 HydrophobicContact CB-CD1 4.01Å; S680-I684 WeakPolarHBondContact O-CG1 3.33Å; S680-I684 PolarHBondContact O-N 2.91Å; A681-I684 PolarHBondContact O-N 3.3Å; I684-L686 PolarHBondContact O-N 3.41Å; I684-R687 PolarHBondContact O-N 3.22Å; I684-N688 WeakPolarHBondContact O-CB 3.5Å; I684-N688 PolarHBondContact O-N 3.41Å; I684-N688 VanDerWaalsContact O-N 3.09Å; I684-N688 PolarHBondContact O-ND2 3.25Å; I684-A694 HydrophobicContact CG2-CB 4.08Å
685L93.9Very high92.2Very high8 Ų833.2 Ų33.24%0.04219%0.185CC..Hα-helixtrans-61.6-43.2177.1-178.860.2000112.1A616 T617 A681 A682 R683 R687 N688 A694 Y695 F698A616-L685 HydrophobicContact CB-CD2 4.15Å; T617-L685 HydrophobicContact CG2-CD2 4.03Å; A681-L685 PolarHBondContact O-N 3.3Å; A682-L685 WeakPolarHBondContact O-CB 3.43Å; A682-L685 PolarHBondContact O-N 3.23Å; R683-L685 VanDerWaalsContact C-N 3.33Å; L685-R687 VanDerWaalsContact C-N 3.3Å; L685-R687 PolarHBondContact O-N 2.85Å; L685-N688 CarbonylContact O-C 3.23Å; L685-N688 VanDerWaalsContact O-C 3.31Å; L685-N688 PolarHBondContact O-N 3.22Å; L685-N688 VanDerWaalsContact O-N 3.13Å; L685-A694 HydrophobicContact CB-CB 4.46Å; L685-A694 HydrophobicContact CD1-CB 4.09Å; L685-Y695 HydrophobicContact CD1-CD2 4.49Å; L685-Y695 HydrophobicContact CD2-CD2 4.17Å; L685-F698 HydrophobicContact CD2-CB 4.13Å; L685-F698 HydrophobicContact CD2-CD1 3.74Å; L685-F698 HydrophobicContact CD2-CE1 4.48Å; L685-F698 HydrophobicContact CD2-CG 4.07Å
686L92.9Very high92.1Very high2 Ų236.3 Ų36.31%0.0120%0.199CC..Hα-helixtrans-56.1-44.4175.4-17379.3000111.3A615 A616 R625 F629 A682 R683 I684 N688A615-L686 WeakPolarHBondContact O-CD1 3.36Å; A616-L686 WeakPolarHBondContact O-CA 3.35Å; R625-L686 HydrophobicContact CG-CD1 4.09Å; R625-L686 PolarHBondContact NH1-O 2.86Å; R625-L686 PolarHBondContact NH2-O 3.43Å; F629-L686 HydrophobicContact CB-CD1 4.17Å; F629-L686 HydrophobicContact CB-CD2 3.86Å; F629-L686 HydrophobicContact CD1-CD2 3.82Å; F629-L686 HydrophobicContact CD2-CB 4.36Å; F629-L686 HydrophobicContact CD2-CD1 3.96Å; F629-L686 HydrophobicContact CD2-CD2 3.95Å; F629-L686 HydrophobicContact CD2-CG 4.31Å; F629-L686 HydrophobicContact CE1-CD2 4.39Å; F629-L686 HydrophobicContact CE2-CB 4.36Å; F629-L686 HydrophobicContact CE2-CD2 4.48Å; F629-L686 HydrophobicContact CG-CD1 4.2Å; F629-L686 HydrophobicContact CG-CD2 3.59Å; F629-L686 HydrophobicContact CG-CG 4.4Å; A682-L686 PolarHBondContact O-N 3.16Å; R683-L686 WeakPolarHBondContact O-CB 3.48Å; R683-L686 PolarHBondContact O-N 3.47Å; I684-L686 PolarHBondContact O-N 3.41Å; L686-N688 VanDerWaalsContact C-N 3.3Å; L686-N688 PolarHBondContact O-N 2.96Å
687R90.2Very high92.1Very high90 Ų9033.8 Ų33.834%0.3418%0.183SC..Hα-helixtrans-77.2-14.7-179-69.4178.3-179.4167.26.3114.1Q221 E225 R683 I684 L685Q221-R687 HydrophobicContact CB-CB 4.2Å; Q221-R687 HydrophobicContact CB-CG 4.46Å; E225-R687 IonicContact OE1-CZ 3.3Å; E225-R687 VanDerWaalsContact OE1-CZ 3.25Å; E225-R687 IonicContact OE1-NH1 3.39Å; E225-R687 PolarHBondContact OE1-NH1 2.97Å; E225-R687 IonicContact OE1-NH2 3.93Å; E225-R687 PolarHBondContact OE1-NH2 3.39Å; E225-R687 IonicContact OE2-NH1 2.67Å; E225-R687 PolarHBondContact OE2-NH1 3.25Å; R683-R687 WeakPolarHBondContact O-CG 3.37Å; R683-R687 PolarHBondContact O-N 3.16Å; I684-R687 PolarHBondContact O-N 3.22Å; L685-R687 VanDerWaalsContact C-N 3.3Å; L685-R687 PolarHBondContact O-N 2.85Å
688N87.8Confident92.2Very high16 Ų1632.9 Ų32.99%0.08618%0.179CC..SBendtrans-128.965.3-176.1-60.6-92000111.7S220 Q221 I684 L685 L686 G690 N691 A694S220-N688 WeakPolarHBondContact CB-OD1 3.31Å; S220-N688 PolarHBondContact OG-OD1 2.93Å; Q221-N688 PolarHBondContact O-ND2 3.36Å; I684-N688 WeakPolarHBondContact O-CB 3.5Å; I684-N688 PolarHBondContact O-N 3.41Å; I684-N688 VanDerWaalsContact O-N 3.09Å; I684-N688 PolarHBondContact O-ND2 3.25Å; L685-N688 CarbonylContact O-C 3.23Å; L685-N688 VanDerWaalsContact O-C 3.31Å; L685-N688 PolarHBondContact O-N 3.22Å; L685-N688 VanDerWaalsContact O-N 3.13Å; L686-N688 VanDerWaalsContact C-N 3.3Å; L686-N688 PolarHBondContact O-N 2.96Å; N688-G690 PolarHBondContact O-N 3.33Å; N688-N691 HydrophobicContact CB-CB 3.78Å; N688-N691 VanDerWaalsContact O-CB 3.26Å; N688-N691 WeakPolarHBondContact O-CB 3.46Å; N688-N691 PolarHBondContact O-N 2.96Å; N688-N691 VanDerWaalsContact O-N 3.12Å; N688-A694 HydrophobicContact CB-CB 4.5Å
689P86.4Confident92.1Very high68 Ų6834.9 Ų34.944%0.44219%0.188SC..THydrogen-bonded Turntrans-58.7133.5-179-21.633.4000112.1L620 N691L620-P689 HydrophobicContact CD1-CG 4.48Å; L620-P689 HydrophobicContact CD2-CG 3.75Å; L620-P689 HydrophobicContact CG-CG 4Å; P689-N691 PolarHBondContact O-N 3.17Å
690G84Confident92Very high83 Ų8337 Ų3786%0.85620%0.201SC*.THydrogen-bonded Turntrans77.8-0.4-179.100000115.2N688 Q692N688-G690 PolarHBondContact O-N 3.33Å; G690-Q692 PolarHBondContact O-N 3.43Å
691N87.6Confident91.9Very high35 Ų3536.1 Ų36.119%0.18719%0.194CC..  trans-74.7110.3174.3-174.2-32.3000110.8N688 P689 A693 A694 Y695N688-N691 HydrophobicContact CB-CB 3.78Å; N688-N691 VanDerWaalsContact O-CB 3.26Å; N688-N691 WeakPolarHBondContact O-CB 3.46Å; N688-N691 PolarHBondContact O-N 2.96Å; N688-N691 VanDerWaalsContact O-N 3.12Å; P689-N691 PolarHBondContact O-N 3.17Å; N691-A693 VanDerWaalsContact C-N 3.32Å; N691-A693 PolarHBondContact O-N 2.95Å; N691-A693 WeakPolarHBondContact OD1-CB 3.23Å; N691-A693 PolarHBondContact OD1-N 3.49Å; N691-A694 HydrophobicContact CB-CB 3.99Å; N691-A694 PolarHBondContact O-N 3.44Å; N691-A694 PolarHBondContact OD1-N 3.03Å; N691-Y695 PolarHBondContact O-N 3.11Å; N691-Y695 VanDerWaalsContact O-N 3.08Å
692Q90.4Very high91.9Very high116 Ų11637.3 Ų37.354%0.54220%0.2SC..Hα-helixtrans-59.7-38.7-179.1-175.961.123.200113G690 A694 Y695 E696G690-Q692 PolarHBondContact O-N 3.43Å; Q692-A694 PolarHBondContact O-N 3.26Å; Q692-Y695 PolarHBondContact O-N 3.35Å; Q692-E696 WeakPolarHBondContact CG-OE1 3.44Å; Q692-E696 PolarHBondContact NE2-OE1 3.29Å; Q692-E696 VanDerWaalsContact NE2-OE1 3.08Å; Q692-E696 WeakPolarHBondContact O-CB 3.45Å; Q692-E696 WeakPolarHBondContact O-CG 3.45Å; Q692-E696 PolarHBondContact O-N 3.25Å
693A89Confident91.8Very high12 Ų1240.5 Ų40.510%0.09922%0.217CC..Hα-helixtrans-67.8-36.5179.200000111.9I211 T214 N691 H697I211-A693 HydrophobicContact CD1-CB 4.17Å; T214-A693 HydrophobicContact CG2-CB 4.25Å; N691-A693 VanDerWaalsContact C-N 3.32Å; N691-A693 PolarHBondContact O-N 2.95Å; N691-A693 WeakPolarHBondContact OD1-CB 3.23Å; N691-A693 PolarHBondContact OD1-N 3.49Å; A693-H697 WeakPolarHBondContact O-CB 3.33Å; A693-H697 PolarHBondContact O-N 2.9Å
694A90.9Very high91.7Very high1 Ų139.5 Ų39.51%0.00822%0.215CC..Hα-helixtrans-66.9-40.2175.400000111.4I211 I684 L685 N688 N691 Q692 H697 F698I211-A694 HydrophobicContact CD1-CB 3.97Å; I684-A694 HydrophobicContact CG2-CB 4.08Å; L685-A694 HydrophobicContact CB-CB 4.46Å; L685-A694 HydrophobicContact CD1-CB 4.09Å; N688-A694 HydrophobicContact CB-CB 4.5Å; N691-A694 HydrophobicContact CB-CB 3.99Å; N691-A694 PolarHBondContact O-N 3.44Å; N691-A694 PolarHBondContact OD1-N 3.03Å; Q692-A694 PolarHBondContact O-N 3.26Å; A694-H697 PolarHBondContact O-N 3.41Å; A694-F698 WeakPolarHBondContact O-CB 3.11Å; A694-F698 PolarHBondContact O-N 2.96Å
695Y93.3Very high91.8Very high104 Ų10439.6 Ų39.641%0.40822%0.215SC..Hα-helixtrans-65.3-47.7176.5-175.5-98.6000111.9L685 N691 Q692 H697 F698 E699L685-Y695 HydrophobicContact CD1-CD2 4.49Å; L685-Y695 HydrophobicContact CD2-CD2 4.17Å; N691-Y695 PolarHBondContact O-N 3.11Å; N691-Y695 VanDerWaalsContact O-N 3.08Å; Q692-Y695 PolarHBondContact O-N 3.35Å; Y695-H697 VanDerWaalsContact C-N 3.31Å; Y695-H697 PolarHBondContact O-N 2.94Å; Y695-F698 PolarHBondContact O-N 3.48Å; Y695-E699 HydrophobicContact CD1-CG 4.17Å; Y695-E699 HydrophobicContact CE1-CG 3.7Å; Y695-E699 HydrophobicContact CE2-CG 4.21Å; Y695-E699 WeakPolarHBondContact O-CB 3.38Å; Y695-E699 PolarHBondContact O-N 3.31Å
696E93.4Very high91.8Very high70 Ų7040.3 Ų40.333%0.32722%0.219SC..Hα-helixtrans-58-42.4175.5-74.9170-172.100112.1K210 Q692 T700K210-E696 IonicContact NZ-OE2 3.76Å; K210-E696 PolarHBondContact NZ-OE2 3.49Å; Q692-E696 WeakPolarHBondContact CG-OE1 3.44Å; Q692-E696 PolarHBondContact NE2-OE1 3.29Å; Q692-E696 VanDerWaalsContact NE2-OE1 3.08Å; Q692-E696 WeakPolarHBondContact O-CB 3.45Å; Q692-E696 WeakPolarHBondContact O-CG 3.45Å; Q692-E696 PolarHBondContact O-N 3.25Å; E696-T700 WeakPolarHBondContact O-CB 3.07Å; E696-T700 PolarHBondContact O-N 3.42Å; E696-T700 PolarHBondContact O-OG1 2.72Å
697H93.6Very high91.8Very high2 Ų244.8 Ų44.81%0.00924%0.242CC..Hα-helixtrans-64.8-47.1177.6-171.164.3000112S207 I211 A693 A694 Y695 T700 M701S207-H697 PolarHBondContact OG-ND1 3.4Å; I211-H697 HydrophobicContact CB-CB 4.42Å; A693-H697 WeakPolarHBondContact O-CB 3.33Å; A693-H697 PolarHBondContact O-N 2.9Å; A694-H697 PolarHBondContact O-N 3.41Å; Y695-H697 VanDerWaalsContact C-N 3.31Å; Y695-H697 PolarHBondContact O-N 2.94Å; H697-T700 PolarHBondContact O-N 2.65Å; H697-M701 WeakPolarHBondContact O-CG 3.41Å; H697-M701 PolarHBondContact O-N 2.67Å
698F95.8Very high91.9Very high1 Ų141.2 Ų41.20%0.00423%0.23CC..Hα-helixtrans-61.7-46176.7173.1-111.7000112.3A613 V678 A681 A682 L685 A694 Y695 T700 M701 K702A613-F698 HydrophobicContact CB-CE1 3.7Å; A613-F698 HydrophobicContact CB-CZ 3.73Å; V678-F698 HydrophobicContact CG1-CE2 4.16Å; A681-F698 HydrophobicContact CB-CB 4.4Å; A681-F698 HydrophobicContact CB-CD2 4.38Å; A682-F698 HydrophobicContact CB-CD2 3.76Å; A682-F698 HydrophobicContact CB-CE2 3.58Å; A682-F698 HydrophobicContact CB-CZ 4.44Å; L685-F698 HydrophobicContact CD2-CB 4.13Å; L685-F698 HydrophobicContact CD2-CD1 3.74Å; L685-F698 HydrophobicContact CD2-CE1 4.48Å; L685-F698 HydrophobicContact CD2-CG 4.07Å; A694-F698 WeakPolarHBondContact O-CB 3.11Å; A694-F698 PolarHBondContact O-N 2.96Å; Y695-F698 PolarHBondContact O-N 3.48Å; F698-T700 VanDerWaalsContact C-N 3.32Å; F698-T700 PolarHBondContact O-N 3.48Å; F698-M701 PolarHBondContact O-N 2.92Å; F698-K702 HydrophobicContact CE1-CD 4.13Å; F698-K702 HydrophobicContact CE2-CB 4.37Å; F698-K702 HydrophobicContact CZ-CB 4.33Å; F698-K702 HydrophobicContact CZ-CD 4.05Å; F698-K702 WeakPolarHBondContact O-CB 3.4Å; F698-K702 PolarHBondContact O-N 2.86Å
699E95.1Very high92.2Very high41 Ų4140.5 Ų40.519%0.19223%0.226CC..Hα-helixtrans-61.3-40.8177.5-77.7-60.6130.200111.9Y695 K702 N703Y695-E699 HydrophobicContact CD1-CG 4.17Å; Y695-E699 HydrophobicContact CE1-CG 3.7Å; Y695-E699 HydrophobicContact CE2-CG 4.21Å; Y695-E699 WeakPolarHBondContact O-CB 3.38Å; Y695-E699 PolarHBondContact O-N 3.31Å; E699-K702 PolarHBondContact O-N 3.43Å; E699-K702 WeakPolarHBondContact OE1-CE 3.43Å; E699-K702 IonicContact OE1-NZ 2.79Å; E699-K702 PolarHBondContact OE1-NZ 3.25Å; E699-K702 WeakPolarHBondContact OE2-CE 3.25Å; E699-K702 IonicContact OE2-NZ 3.56Å; E699-K702 PolarHBondContact OE2-NZ 3.02Å; E699-N703 VanDerWaalsContact O-CB 3.3Å; E699-N703 WeakPolarHBondContact O-CB 3.38Å; E699-N703 PolarHBondContact O-N 3.35Å; E699-N703 PolarHBondContact O-ND2 2.9Å; E699-N703 VanDerWaalsContact O-ND2 3.15Å
700T92.9Very high92.4Very high50 Ų5042.4 Ų42.431%0.30723%0.229SC..Hα-helixtrans-59.7-51.1175.6-560000111I204 E696 H697 F698 N703 Q704I204-T700 HydrophobicContact CG1-CG2 4.36Å; E696-T700 WeakPolarHBondContact O-CB 3.07Å; E696-T700 PolarHBondContact O-N 3.42Å; E696-T700 PolarHBondContact O-OG1 2.72Å; H697-T700 PolarHBondContact O-N 2.65Å; F698-T700 VanDerWaalsContact C-N 3.32Å; F698-T700 PolarHBondContact O-N 3.48Å; T700-N703 PolarHBondContact O-N 2.94Å; T700-Q704 WeakPolarHBondContact O-CB 3.39Å; T700-Q704 PolarHBondContact O-N 2.93Å
701M93.4Very high92.6Very high1 Ų143.4 Ų43.41%0.00521%0.21CC..Hα-helixtrans-64.6-44179.7-72.2-66.1-159.900112.2I204 N229 Q677 V678 A681 H697 F698 Q704 W705I204-M701 HydrophobicContact CG2-CE 3.35Å; I204-M701 HydrophobicContact CG2-SD 3.76Å; N229-M701 HydrophobicContact CB-CE 4.42Å; Q677-M701 HydrophobicContact CB-CE 4.02Å; Q677-M701 HydrophobicContact CB-SD 4.24Å; V678-M701 HydrophobicContact CG2-CB 4.06Å; V678-M701 WeakPolarHBondContact CG2-O 3.38Å; A681-M701 HydrophobicContact CB-CB 4.31Å; A681-M701 HydrophobicContact CB-CG 4.1Å; H697-M701 WeakPolarHBondContact O-CG 3.41Å; H697-M701 PolarHBondContact O-N 2.67Å; F698-M701 PolarHBondContact O-N 2.92Å; M701-Q704 PolarHBondContact O-N 3.38Å; M701-W705 PolarHBondContact O-N 2.89Å
702K95.6Very high92.8Very high26 Ų2641.8 Ų41.811%0.11320%0.201CC..Hα-helixtrans-58.5-49.6177.5173.7177.562.566.20110.9I609 A613 F698 E699 W705 I706I609-K702 HydrophobicContact CD1-CB 4.29Å; I609-K702 HydrophobicContact CD1-CG 3.7Å; I609-K702 HydrophobicContact CG1-CD 4.38Å; I609-K702 HydrophobicContact CG1-CG 4.04Å; A613-K702 HydrophobicContact CB-CD 4.43Å; F698-K702 HydrophobicContact CE1-CD 4.13Å; F698-K702 HydrophobicContact CE2-CB 4.37Å; F698-K702 HydrophobicContact CZ-CB 4.33Å; F698-K702 HydrophobicContact CZ-CD 4.05Å; F698-K702 WeakPolarHBondContact O-CB 3.4Å; F698-K702 PolarHBondContact O-N 2.86Å; E699-K702 PolarHBondContact O-N 3.43Å; E699-K702 WeakPolarHBondContact OE1-CE 3.43Å; E699-K702 IonicContact OE1-NZ 2.79Å; E699-K702 PolarHBondContact OE1-NZ 3.25Å; E699-K702 WeakPolarHBondContact OE2-CE 3.25Å; E699-K702 IonicContact OE2-NZ 3.56Å; E699-K702 PolarHBondContact OE2-NZ 3.02Å; K702-W705 PolarHBondContact O-N 2.84Å; K702-I706 HydrophobicContact CD-CD1 4.38Å; K702-I706 HydrophobicContact CG-CD1 3.81Å; K702-I706 HydrophobicContact CG-CG1 4.48Å; K702-I706 WeakPolarHBondContact O-CG1 3.17Å; K702-I706 PolarHBondContact O-N 3.03Å
703N94.3Very high92.5Very high66 Ų6636.7 Ų36.735%0.35318%0.178SC..Hα-helixtrans-67.9-41.3-177.1-65-18.9000110.9E699 T700 W705 I706 D707E699-N703 VanDerWaalsContact O-CB 3.3Å; E699-N703 WeakPolarHBondContact O-CB 3.38Å; E699-N703 PolarHBondContact O-N 3.35Å; E699-N703 PolarHBondContact O-ND2 2.9Å; E699-N703 VanDerWaalsContact O-ND2 3.15Å; T700-N703 PolarHBondContact O-N 2.94Å; N703-W705 VanDerWaalsContact C-N 3.28Å; N703-W705 PolarHBondContact O-N 3.01Å; N703-I706 PolarHBondContact O-N 2.93Å; N703-I706 VanDerWaalsContact O-N 3.11Å; N703-D707 WeakPolarHBondContact O-CB 3.35Å; N703-D707 PolarHBondContact O-N 2.88Å
704Q91.9Very high91.7Very high38 Ų3836.3 Ų36.318%0.17818%0.176CC..Hα-helixtrans-57-41.8173.3-173.869.643.200112.4I204 L674 T700 M701 N708I204-Q704 HydrophobicContact CD1-CB 4.46Å; I204-Q704 HydrophobicContact CD1-CG 3.92Å; L674-Q704 HydrophobicContact CD1-CG 3.83Å; L674-Q704 HydrophobicContact CD2-CG 4.31Å; T700-Q704 WeakPolarHBondContact O-CB 3.39Å; T700-Q704 PolarHBondContact O-N 2.93Å; M701-Q704 PolarHBondContact O-N 3.38Å; Q704-N708 WeakPolarHBondContact O-CB 3.19Å; Q704-N708 PolarHBondContact O-N 3.06Å; Q704-N708 VanDerWaalsContact O-N 3.16Å
705W95.5Very high90.8Very high1 Ų141.1 Ų41.10%0.00420%0.2CC..Hα-helixtrans-66.4-43.1175.9-177.397.9000111.9I609 F636 A640 L643 T675 V678 M701 K702 N703 N708 V709I609-W705 HydrophobicContact CB-CE3 4.5Å; I609-W705 HydrophobicContact CB-CZ3 4.19Å; I609-W705 HydrophobicContact CD1-CB 4.46Å; I609-W705 HydrophobicContact CD1-CD2 3.94Å; I609-W705 HydrophobicContact CD1-CE3 3.46Å; I609-W705 VanDerWaalsContact CD1-CE3 3.46Å; I609-W705 HydrophobicContact CD1-CG 4.37Å; I609-W705 HydrophobicContact CD1-CZ3 4.03Å; I609-W705 HydrophobicContact CG2-CE3 4.3Å; I609-W705 HydrophobicContact CG2-CZ3 3.83Å; F636-W705 HydrophobicContact CD2-CH2 4.47Å; F636-W705 HydrophobicContact CD2-CZ2 4.38Å; F636-W705 AromaticContact CE2-CD2 3.93Å; F636-W705 HydrophobicContact CE2-CD2 3.93Å; F636-W705 AromaticContact CE2-CE2 3.53Å; F636-W705 HydrophobicContact CE2-CE3 4.13Å; F636-W705 AromaticContact CE2-CH2 3.66Å; F636-W705 HydrophobicContact CE2-CH2 3.66Å; F636-W705 AromaticContact CE2-CZ2 3.4Å; F636-W705 HydrophobicContact CE2-CZ2 3.4Å; F636-W705 HydrophobicContact CE2-CZ3 4.01Å; F636-W705 AromaticContact CZ-CD2 3.92Å; F636-W705 HydrophobicContact CZ-CD2 3.92Å; F636-W705 AromaticContact CZ-CE2 3.57Å; F636-W705 HydrophobicContact CZ-CG 4.25Å; F636-W705 AromaticContact CZ-CZ2 3.92Å; F636-W705 HydrophobicContact CZ-CZ2 3.92Å; F636-W705 AromaticContact CZ-NE1 3.63Å; A640-W705 HydrophobicContact CB-CZ2 3.8Å; L643-W705 HydrophobicContact CD1-CH2 4.28Å; L643-W705 HydrophobicContact CD1-CZ2 4.49Å; T675-W705 PolarHBondContact OG1-NE1 3.29Å; V678-W705 HydrophobicContact CG2-CB 3.81Å; V678-W705 HydrophobicContact CG2-CG 4.25Å; M701-W705 PolarHBondContact O-N 2.89Å; K702-W705 PolarHBondContact O-N 2.84Å; N703-W705 VanDerWaalsContact C-N 3.28Å; N703-W705 PolarHBondContact O-N 3.01Å; W705-N708 PolarHBondContact O-N 3.37Å; W705-V709 HydrophobicContact CD2-CG2 3.97Å; W705-V709 HydrophobicContact CE3-CG2 4.01Å; W705-V709 HydrophobicContact CH2-CB 4.49Å; W705-V709 HydrophobicContact CH2-CG1 4.49Å; W705-V709 HydrophobicContact CH2-CG2 3.75Å; W705-V709 HydrophobicContact CZ2-CG2 3.7Å; W705-V709 HydrophobicContact CZ3-CB 4.34Å; W705-V709 HydrophobicContact CZ3-CG2 3.91Å; W705-V709 WeakPolarHBondContact O-CG2 3.41Å; W705-V709 PolarHBondContact O-N 3.47Å
706I94.8Very high90.4Very high24 Ų2436.9 Ų36.912%0.12319%0.185CC..Hα-helixtrans-62.5-48.6177.9-70.4172.1000110.4I609 K702 N703 N708 V709 E710I609-I706 HydrophobicContact CD1-CG1 4.42Å; I609-I706 HydrophobicContact CG2-CD1 4.34Å; I609-I706 HydrophobicContact CG2-CG1 4.33Å; K702-I706 HydrophobicContact CD-CD1 4.38Å; K702-I706 HydrophobicContact CG-CD1 3.81Å; K702-I706 HydrophobicContact CG-CG1 4.48Å; K702-I706 WeakPolarHBondContact O-CG1 3.17Å; K702-I706 PolarHBondContact O-N 3.03Å; N703-I706 PolarHBondContact O-N 2.93Å; N703-I706 VanDerWaalsContact O-N 3.11Å; I706-N708 VanDerWaalsContact C-N 3.27Å; I706-N708 PolarHBondContact O-N 2.95Å; I706-V709 CarbonylContact O-C 3.54Å; I706-V709 PolarHBondContact O-N 2.89Å; I706-E710 HydrophobicContact CG2-CG 4.18Å; I706-E710 WeakPolarHBondContact O-CG 3.47Å; I706-E710 PolarHBondContact O-N 3.31Å
707D92Very high90.1Very high95 Ų9533.6 Ų33.651%0.50817%0.169SC..Hα-helixtrans-57.9-42.3179.8-67.1-15.3000111N703 E710 K711N703-D707 WeakPolarHBondContact O-CB 3.35Å; N703-D707 PolarHBondContact O-N 2.88Å; D707-E710 PolarHBondContact O-N 3.11Å; D707-K711 WeakPolarHBondContact O-CB 3.49Å; D707-K711 PolarHBondContact O-N 3.32Å
708N92.9Very high89.7Confident16 Ų1634 Ų349%0.08617%0.172CC..Hα-helixtrans-65.1-39.8175.1-177.370.5000112.5A667 S670 T671 Q704 W705 I706 M712A667-N708 PolarHBondContact O-ND2 3Å; S670-N708 WeakPolarHBondContact CB-OD1 3.35Å; S670-N708 PolarHBondContact OG-OD1 3.04Å; T671-N708 PolarHBondContact N-ND2 2.93Å; T671-N708 PolarHBondContact OG1-ND2 3.07Å; Q704-N708 WeakPolarHBondContact O-CB 3.19Å; Q704-N708 PolarHBondContact O-N 3.06Å; Q704-N708 VanDerWaalsContact O-N 3.16Å; W705-N708 PolarHBondContact O-N 3.37Å; I706-N708 VanDerWaalsContact C-N 3.27Å; I706-N708 PolarHBondContact O-N 2.95Å; N708-M712 WeakPolarHBondContact O-CB 3.46Å; N708-M712 PolarHBondContact O-N 2.98Å
709V93.6Very high89.1Confident1 Ų135.8 Ų35.81%0.00618%0.18CC..Hα-helixtrans-70.9-36177.3169.70000112T605 L643 W705 I706 M712 T713T605-V709 HydrophobicContact CG2-CG1 4.27Å; L643-V709 HydrophobicContact CD1-CG1 4.24Å; W705-V709 HydrophobicContact CD2-CG2 3.97Å; W705-V709 HydrophobicContact CE3-CG2 4.01Å; W705-V709 HydrophobicContact CH2-CB 4.49Å; W705-V709 HydrophobicContact CH2-CG1 4.49Å; W705-V709 HydrophobicContact CH2-CG2 3.75Å; W705-V709 HydrophobicContact CZ2-CG2 3.7Å; W705-V709 HydrophobicContact CZ3-CB 4.34Å; W705-V709 HydrophobicContact CZ3-CG2 3.91Å; W705-V709 WeakPolarHBondContact O-CG2 3.41Å; W705-V709 PolarHBondContact O-N 3.47Å; I706-V709 CarbonylContact O-C 3.54Å; I706-V709 PolarHBondContact O-N 2.89Å; V709-M712 HydrophobicContact CG2-CE 4.27Å; V709-M712 PolarHBondContact O-N 3.45Å; V709-T713 VanDerWaalsContact O-CB 3.29Å; V709-T713 WeakPolarHBondContact O-CB 3.33Å; V709-T713 PolarHBondContact O-N 3.39Å; V709-T713 PolarHBondContact O-OG1 2.92Å
710E89.8Confident88.7Confident108 Ų10833.9 Ų33.951%0.50517%0.171SC..Hα-helixtrans-66.1-43.3173.8-73-171.6176.500111.2I706 D707 T713 G714I706-E710 HydrophobicContact CG2-CG 4.18Å; I706-E710 WeakPolarHBondContact O-CG 3.47Å; I706-E710 PolarHBondContact O-N 3.31Å; D707-E710 PolarHBondContact O-N 3.11Å; E710-T713 PolarHBondContact O-N 3.47Å; E710-G714 PolarHBondContact O-N 3.41Å
711K89Confident88.5Confident104 Ų10431.8 Ų31.845%0.45216%0.158SC..Hα-helixtrans-58.4-49.5170.9178.7178.7-179.4-178.40111.4D707 I715 L716D707-K711 WeakPolarHBondContact O-CB 3.49Å; D707-K711 PolarHBondContact O-N 3.32Å; K711-I715 HydrophobicContact CB-CD1 4.48Å; K711-I715 HydrophobicContact CG-CD1 4.23Å; K711-I715 WeakPolarHBondContact O-CB 3.18Å; K711-I715 PolarHBondContact O-N 2.78Å; K711-L716 HydrophobicContact CG-CD1 4.22Å; K711-L716 PolarHBondContact O-N 3.19Å
712M91.6Very high88.3Confident0 Ų035.3 Ų35.30%018%0.177CC..Iπ-helixtrans-58.7-49.9178.1-176.6173.162.300111.6F602 L643 A647 A667 V668 N708 V709 V717F602-M712 HydrophobicContact CE1-CE 4.07Å; F602-M712 HydrophobicContact CZ-CE 4.3Å; L643-M712 HydrophobicContact CB-CE 3.98Å; A647-M712 HydrophobicContact CB-CG 4.01Å; A647-M712 HydrophobicContact CB-SD 3.63Å; A667-M712 HydrophobicContact CB-CB 3.88Å; A667-M712 HydrophobicContact CB-CG 4.18Å; V668-M712 HydrophobicContact CG2-SD 3.76Å; N708-M712 WeakPolarHBondContact O-CB 3.46Å; N708-M712 PolarHBondContact O-N 2.98Å; V709-M712 HydrophobicContact CG2-CE 4.27Å; V709-M712 PolarHBondContact O-N 3.45Å; M712-V717 HydrophobicContact CG-CG2 4.14Å; M712-V717 WeakPolarHBondContact O-CB 3.31Å; M712-V717 VanDerWaalsContact O-CG2 3.25Å; M712-V717 WeakPolarHBondContact O-CG2 3.34Å; M712-V717 PolarHBondContact O-N 3.02Å
713T85.3Confident88Confident9 Ų935.1 Ų35.16%0.05518%0.178CC..Iπ-helixtrans-64.1-51.1-177.4-550000110.4F602 V709 E710 D718F602-T713 HydrophobicContact CB-CG2 4.34Å; F602-T713 HydrophobicContact CD1-CG2 3.65Å; F602-T713 VanDerWaalsContact CD1-OG1 3.29Å; F602-T713 WeakPolarHBondContact CD1-OG1 3.34Å; F602-T713 HydrophobicContact CE1-CG2 4.38Å; F602-T713 WeakPolarHBondContact CE1-OG1 3.37Å; F602-T713 HydrophobicContact CG-CG2 4.41Å; V709-T713 VanDerWaalsContact O-CB 3.29Å; V709-T713 WeakPolarHBondContact O-CB 3.33Å; V709-T713 PolarHBondContact O-N 3.39Å; V709-T713 PolarHBondContact O-OG1 2.92Å; E710-T713 PolarHBondContact O-N 3.47Å; T713-D718 PolarHBondContact O-N 3.5Å
714G71.4Confident87.8Confident5 Ų536.1 Ų36.15%0.05218%0.179CC..Iπ-helixtrans-103.2-28.7-157.900000117.8E710 R773E710-G714 PolarHBondContact O-N 3.41Å; G714-R773 WeakPolarHBondContact O-CD 3.49Å; G714-R773 PolarHBondContact O-NH1 3.09Å
715I70.8Confident87.7Confident102 Ų10236.6 Ų36.652%0.52319%0.187SC..Iπ-helixtrans-93.6-25.4178.4-60.9176.3000109.6K711K711-I715 HydrophobicContact CB-CD1 4.48Å; K711-I715 HydrophobicContact CG-CD1 4.23Å; K711-I715 WeakPolarHBondContact O-CB 3.18Å; K711-I715 PolarHBondContact O-N 2.78Å
716L85.4Confident87.5Confident15 Ų1536.7 Ų36.78%0.07919%0.187CC..Iπ-helixtrans-120.9-58.3-165.1-62.6171.6000113.1T660 G663 I664 A667 K711 E719 A720T660-L716 HydrophobicContact CG2-CD2 4.25Å; G663-L716 VanDerWaalsContact C-CD1 3.49Å; G663-L716 WeakPolarHBondContact O-CD1 3.46Å; I664-L716 HydrophobicContact CD1-CB 4.49Å; I664-L716 HydrophobicContact CG1-CB 3.57Å; A667-L716 HydrophobicContact CB-CD1 4.09Å; K711-L716 HydrophobicContact CG-CD1 4.22Å; K711-L716 PolarHBondContact O-N 3.19Å; L716-E719 PolarHBondContact O-N 3.3Å; L716-A720 PolarHBondContact O-N 3.07Å; L716-A720 VanDerWaalsContact O-N 3.08Å
717V88.4Confident87.4Confident0 Ų035.7 Ų35.70%018%0.182CC..Iπ-helixtrans-69.5-46.6-177.4169.70000111.6V598 F602 A647 A650 I664 M712 E719 A720 I721V598-V717 HydrophobicContact CG1-CG1 3.76Å; V598-V717 HydrophobicContact CG2-CG1 4.13Å; F602-V717 HydrophobicContact CE2-CG1 4.22Å; F602-V717 HydrophobicContact CZ-CG1 4.31Å; F602-V717 HydrophobicContact CZ-CG2 4.09Å; A647-V717 HydrophobicContact CB-CG2 3.75Å; A650-V717 HydrophobicContact CB-CG1 4Å; I664-V717 HydrophobicContact CD1-CG2 4.47Å; I664-V717 HydrophobicContact CG1-CG2 4.45Å; I664-V717 HydrophobicContact CG2-CG2 4.46Å; M712-V717 HydrophobicContact CG-CG2 4.14Å; M712-V717 WeakPolarHBondContact O-CB 3.31Å; M712-V717 VanDerWaalsContact O-CG2 3.25Å; M712-V717 WeakPolarHBondContact O-CG2 3.34Å; M712-V717 PolarHBondContact O-N 3.02Å; V717-E719 PolarHBondContact O-N 3.3Å; V717-A720 WeakPolarHBondContact O-CB 3.48Å; V717-A720 PolarHBondContact O-N 3.14Å; V717-A720 VanDerWaalsContact O-N 3.07Å; V717-I721 HydrophobicContact CG1-CD1 4.09Å; V717-I721 WeakPolarHBondContact O-CG1 3.35Å
718D84.9Confident87.4Confident12 Ų1233.3 Ų33.36%0.06417%0.169CC..THydrogen-bonded Turntrans-63.2-31.6176.8-71.7-23.7000112T713 A720 I721 R766 R773T713-D718 PolarHBondContact O-N 3.5Å; D718-A720 VanDerWaalsContact C-N 3.33Å; D718-I721 PolarHBondContact O-N 3.43Å; D718-R766 IonicContact OD1-CZ 2.94Å; D718-R766 IonicContact OD1-NH2 3.87Å; D718-R766 PolarHBondContact OD1-NH2 2.98Å; D718-R766 IonicContact OD2-NH2 3.83Å; D718-R773 IonicContact OD2-NH1 3.9Å; D718-R773 PolarHBondContact OD2-NH1 3.05Å
719E82.9Confident87.3Confident38 Ų3832.6 Ų32.618%0.17817%0.166CC..THydrogen-bonded Turntrans-70-29.8173.7172.1172.1141.800112.7T660 L716 V717 I721 R980T660-E719 HydrophobicContact CG2-CB 4.44Å; T660-E719 HydrophobicContact CG2-CG 4.12Å; T660-E719 PolarHBondContact OG1-OE1 3.47Å; L716-E719 PolarHBondContact O-N 3.3Å; V717-E719 PolarHBondContact O-N 3.3Å; E719-I721 PolarHBondContact O-N 3.38Å; E719-R980 VanDerWaalsContact CD-CD 3.44Å; E719-R980 IonicContact OE1-NE 2.81Å; E719-R980 WeakPolarHBondContact OE2-CD 3.21Å; E719-R980 IonicContact OE2-CZ 3.89Å; E719-R980 IonicContact OE2-NE 3.63Å; E719-R980 PolarHBondContact OE2-NE 3.07Å; E719-R980 IonicContact OE2-NH2 3.64Å
720A86.6Confident87.3Confident0 Ų032.7 Ų32.70%017%0.166CC..THydrogen-bonded Turntrans-76.80.517800000113.4G654 T655 A656 I664 L716 V717 D718G654-A720 CarbonylContact C-O 3.55Å; G654-A720 WeakPolarHBondContact CA-O 3.34Å; T655-A720 PolarHBondContact N-O 3.47Å; T655-A720 PolarHBondContact OG1-O 3.15Å; A656-A720 HydrophobicContact CB-CB 3.69Å; I664-A720 HydrophobicContact CD1-CB 3.97Å; L716-A720 PolarHBondContact O-N 3.07Å; L716-A720 VanDerWaalsContact O-N 3.08Å; V717-A720 WeakPolarHBondContact O-CB 3.48Å; V717-A720 PolarHBondContact O-N 3.14Å; V717-A720 VanDerWaalsContact O-N 3.07Å; D718-A720 VanDerWaalsContact C-N 3.33Å
721I88.8Confident87.5Confident6 Ų628.5 Ų28.53%0.03115%0.147CC..SBendtrans-124.8140.4-175.2-57168.4000108.3M594 T595 V598 V717 D718 E719 T723 L726M594-I721 HydrophobicContact CE-CG1 4.01Å; M594-I721 HydrophobicContact SD-CD1 4.03Å; M594-I721 HydrophobicContact SD-CG1 3.89Å; T595-I721 HydrophobicContact CG2-CG2 3.86Å; V598-I721 HydrophobicContact CB-CD1 3.67Å; V598-I721 HydrophobicContact CG1-CD1 3.42Å; V598-I721 VanDerWaalsContact CG1-CD1 3.42Å; V598-I721 HydrophobicContact CG2-CD1 3.7Å; V717-I721 HydrophobicContact CG1-CD1 4.09Å; V717-I721 WeakPolarHBondContact O-CG1 3.35Å; D718-I721 PolarHBondContact O-N 3.43Å; E719-I721 PolarHBondContact O-N 3.38Å; I721-T723 PolarHBondContact O-N 3.45Å; I721-L726 HydrophobicContact CG2-CB 4.04Å
722D88.3Confident87.6Confident76 Ų7626.7 Ų26.741%0.40614%0.142SC..  trans-62.3121.1170.8171.261.7000110.3K724 S725 L726D722-K724 VanDerWaalsContact C-N 3.26Å; D722-K724 PolarHBondContact O-N 3.4Å; D722-K724 WeakPolarHBondContact OD2-CB 3.35Å; D722-K724 PolarHBondContact OD2-N 2.62Å; D722-S725 PolarHBondContact O-N 3.3Å; D722-S725 VanDerWaalsContact O-N 3.15Å; D722-S725 WeakPolarHBondContact OD2-CB 3.43Å; D722-S725 PolarHBondContact OD2-N 3.18Å; D722-S725 PolarHBondContact OD2-OG 3.06Å; D722-L726 PolarHBondContact O-N 3.26Å
723T89.9Confident87.6Confident21 Ų2126.9 Ų26.913%0.12914%0.144CC..Hα-helixtrans-57.3-40.9-175.5-49.30000111.5I721 L726 L727 V770 E774 F839I721-T723 PolarHBondContact O-N 3.45Å; T723-L726 PolarHBondContact O-N 3.49Å; T723-L727 HydrophobicContact CG2-CD1 4.36Å; T723-L727 VanDerWaalsContact O-CG 3.28Å; T723-L727 WeakPolarHBondContact O-CG 3.43Å; T723-L727 PolarHBondContact O-N 3.23Å; T723-V770 HydrophobicContact CG2-CG1 3.68Å; T723-E774 HydrophobicContact CG2-CG 4.13Å; T723-F839 HydrophobicContact CG2-CD1 4.16Å; T723-F839 HydrophobicContact CG2-CE1 3.91Å; T723-F839 HydrophobicContact CG2-CZ 4.37Å
724K89.7Confident88.1Confident87 Ų8726.5 Ų26.538%0.37814%0.141SC..Hα-helixtrans-62.1-49.3178.6177.3-174.8174.9-175.90110.8D722 L726 L727 D728D722-K724 VanDerWaalsContact C-N 3.26Å; D722-K724 PolarHBondContact O-N 3.4Å; D722-K724 WeakPolarHBondContact OD2-CB 3.35Å; D722-K724 PolarHBondContact OD2-N 2.62Å; K724-L726 VanDerWaalsContact C-N 3.28Å; K724-L726 PolarHBondContact O-N 2.96Å; K724-L727 WeakPolarHBondContact O-CB 3.5Å; K724-L727 PolarHBondContact O-N 3.38Å; K724-L727 VanDerWaalsContact O-N 3.09Å; K724-D728 PolarHBondContact O-N 3.36Å
725S90.6Very high89.2Confident49 Ų4930 Ų3034%0.34316%0.155SC..Hα-helixtrans-59.7-37.8177.1-57.80000112.1D722 A729D722-S725 PolarHBondContact O-N 3.3Å; D722-S725 VanDerWaalsContact O-N 3.15Å; D722-S725 WeakPolarHBondContact OD2-CB 3.43Å; D722-S725 PolarHBondContact OD2-N 3.18Å; D722-S725 PolarHBondContact OD2-OG 3.06Å; S725-A729 WeakPolarHBondContact O-CB 3.29Å; S725-A729 PolarHBondContact O-N 3.39Å
726L91Very high90.3Very high3 Ų330.6 Ų30.62%0.01615%0.154CC..Hα-helixtrans-66-39.7174.7-178.863.2000112.2I721 D722 T723 K724 S730 V770I721-L726 HydrophobicContact CG2-CB 4.04Å; D722-L726 PolarHBondContact O-N 3.26Å; T723-L726 PolarHBondContact O-N 3.49Å; K724-L726 VanDerWaalsContact C-N 3.28Å; K724-L726 PolarHBondContact O-N 2.96Å; L726-S730 VanDerWaalsContact O-CB 3.29Å; L726-S730 WeakPolarHBondContact O-CB 3.33Å; L726-S730 PolarHBondContact O-N 2.98Å; L726-S730 PolarHBondContact O-OG 3.37Å; L726-V770 HydrophobicContact CD2-CG1 4.47Å; L726-V770 HydrophobicContact CD2-CG2 3.93Å
727L92.6Very high90.7Very high2 Ų230.1 Ų30.11%0.0115%0.151CC..Hα-helixtrans-66.6-45.4175.6-67.5176.1000111.2T723 K724 A729 S730 E731 I767 R836 F839T723-L727 HydrophobicContact CG2-CD1 4.36Å; T723-L727 VanDerWaalsContact O-CG 3.28Å; T723-L727 WeakPolarHBondContact O-CG 3.43Å; T723-L727 PolarHBondContact O-N 3.23Å; K724-L727 WeakPolarHBondContact O-CB 3.5Å; K724-L727 PolarHBondContact O-N 3.38Å; K724-L727 VanDerWaalsContact O-N 3.09Å; L727-A729 PolarHBondContact O-N 3.16Å; L727-S730 PolarHBondContact O-N 3.5Å; L727-E731 WeakPolarHBondContact O-CB 3.45Å; L727-E731 PolarHBondContact O-N 2.96Å; L727-I767 HydrophobicContact CD2-CB 4.36Å; L727-I767 HydrophobicContact CD2-CG1 4.1Å; L727-I767 HydrophobicContact CD2-CG2 3.73Å; L727-R836 HydrophobicContact CB-CB 4.31Å; L727-R836 HydrophobicContact CB-CG 4.17Å; L727-R836 HydrophobicContact CD1-CB 4.39Å; L727-F839 HydrophobicContact CD1-CD2 3.59Å; L727-F839 HydrophobicContact CD1-CE2 3.91Å; L727-F839 HydrophobicContact CD1-CG 4.15Å
728D92.2Very high91Very high46 Ų4630.3 Ų30.325%0.24615%0.152CC..Hα-helixtrans-57.9-48.7175-76.5-43.4000111K724 S730 E731 D732 R836K724-D728 PolarHBondContact O-N 3.36Å; D728-S730 VanDerWaalsContact C-N 3.32Å; D728-S730 PolarHBondContact O-N 3.38Å; D728-E731 PolarHBondContact O-N 2.83Å; D728-D732 PolarHBondContact O-N 2.96Å; D728-R836 WeakPolarHBondContact OD1-CD 3.18Å; D728-R836 IonicContact OD1-CZ 3.09Å; D728-R836 IonicContact OD1-NE 2.7Å; D728-R836 IonicContact OD1-NH1 2.79Å; D728-R836 PolarHBondContact OD1-NH1 3.47Å
729A91.3Very high91.4Very high1 Ų132.9 Ų32.91%0.00817%0.166CC..Hα-helixtrans-61.1-40.4177.400000112.7T595 S725 L727 A733T595-A729 HydrophobicContact CG2-CB 3.92Å; S725-A729 WeakPolarHBondContact O-CB 3.29Å; S725-A729 PolarHBondContact O-N 3.39Å; L727-A729 PolarHBondContact O-N 3.16Å; A729-A733 WeakPolarHBondContact O-CB 3.1Å; A729-A733 PolarHBondContact O-N 3.08Å
730S92.8Very high91.9Very high2 Ų236.9 Ų36.91%0.01418%0.183CC..Hα-helixtrans-70.7-37.8179.6-58.40000112.1S599 L726 L727 D728 A733 I734S599-S730 PolarHBondContact OG-OG 2.95Å; L726-S730 VanDerWaalsContact O-CB 3.29Å; L726-S730 WeakPolarHBondContact O-CB 3.33Å; L726-S730 PolarHBondContact O-N 2.98Å; L726-S730 PolarHBondContact O-OG 3.37Å; L727-S730 PolarHBondContact O-N 3.5Å; D728-S730 VanDerWaalsContact C-N 3.32Å; D728-S730 PolarHBondContact O-N 3.38Å; S730-A733 PolarHBondContact O-N 3.34Å; S730-I734 VanDerWaalsContact O-CG1 3.28Å; S730-I734 WeakPolarHBondContact O-CG1 3.29Å; S730-I734 PolarHBondContact O-N 3.38Å
731E93.9Very high92.3Very high20 Ų2036.9 Ų36.99%0.09318%0.183CC..Hα-helixtrans-61.2-48.7173.4-168.9-166.414200110.8L727 D728 A733 I734 K735 L829 V832 R836L727-E731 WeakPolarHBondContact O-CB 3.45Å; L727-E731 PolarHBondContact O-N 2.96Å; D728-E731 PolarHBondContact O-N 2.83Å; E731-A733 VanDerWaalsContact C-N 3.32Å; E731-A733 PolarHBondContact O-N 2.66Å; E731-I734 WeakPolarHBondContact O-CB 3.33Å; E731-I734 PolarHBondContact O-N 3.34Å; E731-I734 VanDerWaalsContact O-N 3.16Å; E731-K735 WeakPolarHBondContact O-CG 3.19Å; E731-K735 PolarHBondContact O-N 3.06Å; E731-K735 WeakPolarHBondContact OE1-CE 3.31Å; E731-K735 IonicContact OE1-NZ 3.9Å; E731-K735 PolarHBondContact OE1-NZ 2.88Å; E731-L829 HydrophobicContact CG-CD2 4.06Å; E731-V832 HydrophobicContact CB-CG1 3.84Å; E731-V832 HydrophobicContact CG-CG1 3.88Å; E731-R836 IonicContact OE2-NE 2.77Å
732D92.4Very high92.6Very high67 Ų6741.4 Ų41.436%0.35820%0.199SC..Hα-helixtrans-65.5-35178.6-77.7-11.1000112.8D728 K735 K736D728-D732 PolarHBondContact O-N 2.96Å; D732-K735 WeakPolarHBondContact O-CB 3.23Å; D732-K735 PolarHBondContact O-N 3.42Å; D732-K735 IonicContact OD1-NZ 3.3Å; D732-K735 PolarHBondContact OD1-NZ 3.3Å; D732-K736 WeakPolarHBondContact O-CG 3.38Å; D732-K736 PolarHBondContact O-N 3.28Å
733A91.4Very high92.9Very high4 Ų441.3 Ų41.33%0.03320%0.201CC..Hα-helixtrans-67.1-37.3173.500000112.2A729 S730 E731 K736 D737 R763A729-A733 WeakPolarHBondContact O-CB 3.1Å; A729-A733 PolarHBondContact O-N 3.08Å; S730-A733 PolarHBondContact O-N 3.34Å; E731-A733 VanDerWaalsContact C-N 3.32Å; E731-A733 PolarHBondContact O-N 2.66Å; A733-K736 PolarHBondContact O-N 3.42Å; A733-D737 WeakPolarHBondContact O-CB 3.42Å; A733-D737 PolarHBondContact O-N 3.44Å; A733-R763 VanDerWaalsContact CB-NH1 3.29Å
734I94.9Very high93.1Very high1 Ų140.4 Ų40.41%0.00520%0.196CC..Hα-helixtrans-63.5-41.7172.3-69.7166.2000110.7S730 E731 K736 D737 L738 I760 R763 I767 I828 L829 V832S730-I734 VanDerWaalsContact O-CG1 3.28Å; S730-I734 WeakPolarHBondContact O-CG1 3.29Å; S730-I734 PolarHBondContact O-N 3.38Å; E731-I734 WeakPolarHBondContact O-CB 3.33Å; E731-I734 PolarHBondContact O-N 3.34Å; E731-I734 VanDerWaalsContact O-N 3.16Å; I734-K736 PolarHBondContact O-N 3.21Å; I734-D737 PolarHBondContact O-N 3.43Å; I734-L738 WeakPolarHBondContact O-CB 3.31Å; I734-L738 PolarHBondContact O-N 2.86Å; I734-I760 HydrophobicContact CG2-CG1 4.34Å; I734-I760 HydrophobicContact CG2-CG2 3.94Å; I734-R763 HydrophobicContact CD1-CB 4.01Å; I734-R763 HydrophobicContact CG1-CB 3.79Å; I734-I767 HydrophobicContact CD1-CD1 3.95Å; I734-I828 HydrophobicContact CG2-CG2 4.44Å; I734-L829 HydrophobicContact CB-CD2 3.98Å; I734-L829 HydrophobicContact CG2-CD2 3.57Å; I734-L829 HydrophobicContact CG2-CG 3.94Å; I734-V832 HydrophobicContact CD1-CG2 4Å
735K95.3Very high93.3Very high77 Ų7736.4 Ų36.434%0.33518%0.179SC..Hα-helixtrans-57.6-48.5174.6-67172.1-168149.70111.1E731 D732 D737 L738 D739 L829E731-K735 WeakPolarHBondContact O-CG 3.19Å; E731-K735 PolarHBondContact O-N 3.06Å; E731-K735 WeakPolarHBondContact OE1-CE 3.31Å; E731-K735 IonicContact OE1-NZ 3.9Å; E731-K735 PolarHBondContact OE1-NZ 2.88Å; D732-K735 WeakPolarHBondContact O-CB 3.23Å; D732-K735 PolarHBondContact O-N 3.42Å; D732-K735 IonicContact OD1-NZ 3.3Å; D732-K735 PolarHBondContact OD1-NZ 3.3Å; K735-D737 PolarHBondContact O-N 2.85Å; K735-L738 WeakPolarHBondContact O-CB 3.46Å; K735-L738 PolarHBondContact O-N 3.48Å; K735-D739 PolarHBondContact O-N 3.01Å; K735-L829 HydrophobicContact CG-CD1 3.87Å; K735-L829 HydrophobicContact CG-CD2 3.61Å; K735-L829 HydrophobicContact CG-CG 4.42Å
736K92.6Very high93.4Very high116 Ų11638.6 Ų38.650%0.50419%0.191SC..Hα-helixtrans-61.9-40.5177.5-70.7170.8-174.9167.70112.3D732 A733 I734 D739 K740D732-K736 WeakPolarHBondContact O-CG 3.38Å; D732-K736 PolarHBondContact O-N 3.28Å; A733-K736 PolarHBondContact O-N 3.42Å; I734-K736 PolarHBondContact O-N 3.21Å; K736-D739 PolarHBondContact O-N 2.99Å; K736-K740 WeakPolarHBondContact O-CG 3.13Å; K736-K740 PolarHBondContact O-N 3.22Å
737D93.7Very high93.6Very high5 Ų542.7 Ų42.73%0.02721%0.213CC..Hα-helixtrans-69.6-34.1178.1-73.2-21.3000111.8A733 I734 K735 K740 C741 S759 I760 R763A733-D737 WeakPolarHBondContact O-CB 3.42Å; A733-D737 PolarHBondContact O-N 3.44Å; I734-D737 PolarHBondContact O-N 3.43Å; K735-D737 PolarHBondContact O-N 2.85Å; D737-K740 PolarHBondContact O-N 3.04Å; D737-K740 IonicContact OD1-NZ 3.63Å; D737-K740 PolarHBondContact OD1-NZ 3.03Å; D737-C741 PolarHBondContact O-N 2.88Å; D737-C741 PolarHBondContact O-SG 3.42Å; D737-C741 VanDerWaalsContact O-SG 3.33Å; D737-S759 VanDerWaalsContact OD2-CB 3.28Å; D737-S759 WeakPolarHBondContact OD2-CB 3.31Å; D737-S759 PolarHBondContact OD2-OG 3.2Å; D737-I760 HydrophobicContact CB-CD1 4.35Å; D737-I760 HydrophobicContact CB-CG1 3.76Å; D737-R763 IonicContact OD2-CZ 2.95Å; D737-R763 IonicContact OD2-NE 3.81Å; D737-R763 PolarHBondContact OD2-NE 3.02Å; D737-R763 VanDerWaalsContact OD2-NE 3.1Å; D737-R763 IonicContact OD2-NH2 3.85Å
738L94.9Very high93.6Very high4 Ų447.4 Ų47.42%0.02123%0.234CC..Hα-helixtrans-65.2-40172.1-168.666.9000111.7I734 K735 C741 R742 I760 F821 L822 Y826 L829I734-L738 WeakPolarHBondContact O-CB 3.31Å; I734-L738 PolarHBondContact O-N 2.86Å; K735-L738 WeakPolarHBondContact O-CB 3.46Å; K735-L738 PolarHBondContact O-N 3.48Å; L738-C741 WeakPolarHBondContact O-CB 3.4Å; L738-C741 PolarHBondContact O-N 3.49Å; L738-R742 PolarHBondContact O-N 2.92Å; L738-I760 HydrophobicContact CB-CD1 4.25Å; L738-I760 HydrophobicContact CD1-CD1 4.14Å; L738-F821 HydrophobicContact CD1-CE1 4.07Å; L738-F821 HydrophobicContact CD1-CZ 4.23Å; L738-L822 HydrophobicContact CD1-CD2 4.22Å; L738-L822 HydrophobicContact CG-CD2 4.44Å; L738-Y826 HydrophobicContact CD2-CD1 4.03Å; L738-Y826 HydrophobicContact CD2-CE1 3.83Å; L738-Y826 HydrophobicContact CD2-CG 4.46Å; L738-L829 HydrophobicContact CD2-CD1 3.98Å
739D94.6Very high93.6Very high66 Ų6649.5 Ų49.535%0.35324%0.242SC..Hα-helixtrans-62.8-42173.4-76.3-28.3000112K735 K736 C741 R742 V743K735-D739 PolarHBondContact O-N 3.01Å; K736-D739 PolarHBondContact O-N 2.99Å; D739-C741 VanDerWaalsContact C-N 3.31Å; D739-C741 PolarHBondContact O-N 3.2Å; D739-R742 WeakPolarHBondContact O-CB 3.38Å; D739-R742 PolarHBondContact O-N 3.17Å; D739-R742 VanDerWaalsContact O-N 3.14Å; D739-R742 IonicContact OD1-CZ 3.39Å; D739-R742 IonicContact OD1-NH1 3.02Å; D739-R742 PolarHBondContact OD1-NH1 3.36Å; D739-R742 IonicContact OD1-NH2 2.74Å; D739-R742 PolarHBondContact OD1-NH2 3.24Å; D739-V743 WeakPolarHBondContact O-CG2 3.28Å; D739-V743 PolarHBondContact O-N 3.46Å
740K93.4Very high93.6Very high122 Ų12251.7 Ų51.753%0.5326%0.257SS..Hα-helixtrans-60.6-40.8173.3-69.4172.2-163.8158.40111.6K736 D737 R742 V743 A744K736-K740 WeakPolarHBondContact O-CG 3.13Å; K736-K740 PolarHBondContact O-N 3.22Å; D737-K740 PolarHBondContact O-N 3.04Å; D737-K740 IonicContact OD1-NZ 3.63Å; D737-K740 PolarHBondContact OD1-NZ 3.03Å; K740-R742 VanDerWaalsContact C-N 3.34Å; K740-V743 PolarHBondContact O-N 2.98Å; K740-A744 WeakPolarHBondContact O-CB 3.43Å; K740-A744 PolarHBondContact O-N 3Å
741C94.8Very high93.5Very high0 Ų059.8 Ų59.80%029%0.294CS..Hα-helixtrans-61.6-41.3173.6-70.50000111.8D737 L738 D739 A744 M745 L753 G756 A757 F821D737-C741 PolarHBondContact O-N 2.88Å; D737-C741 PolarHBondContact O-SG 3.42Å; D737-C741 VanDerWaalsContact O-SG 3.33Å; L738-C741 WeakPolarHBondContact O-CB 3.4Å; L738-C741 PolarHBondContact O-N 3.49Å; D739-C741 VanDerWaalsContact C-N 3.31Å; D739-C741 PolarHBondContact O-N 3.2Å; C741-A744 PolarHBondContact O-N 3.18Å; C741-M745 WeakPolarHBondContact O-CG 3.33Å; C741-M745 PolarHBondContact O-N 3.47Å; C741-L753 HydrophobicContact CB-CD1 3.63Å; C741-G756 VanDerWaalsContact SG-C 3.54Å; C741-G756 VanDerWaalsContact SG-CA 3.55Å; C741-A757 PolarHBondContact SG-N 3.42Å; C741-F821 HydrophobicContact CB-CE1 3.59Å; C741-F821 HydrophobicContact CB-CZ 3.79Å
742R94.7Very high93.3Very high100 Ų10064.1 Ų64.138%0.37732%0.316SS..Hα-helixtrans-61.3-44.6175.2-173.7177.566.5-121.9-7.1112.1L738 D739 K740 M745 T746L738-R742 PolarHBondContact O-N 2.92Å; D739-R742 WeakPolarHBondContact O-CB 3.38Å; D739-R742 PolarHBondContact O-N 3.17Å; D739-R742 VanDerWaalsContact O-N 3.14Å; D739-R742 IonicContact OD1-CZ 3.39Å; D739-R742 IonicContact OD1-NH1 3.02Å; D739-R742 PolarHBondContact OD1-NH1 3.36Å; D739-R742 IonicContact OD1-NH2 2.74Å; D739-R742 PolarHBondContact OD1-NH2 3.24Å; K740-R742 VanDerWaalsContact C-N 3.34Å; R742-M745 HydrophobicContact CB-CE 4.44Å; R742-M745 PolarHBondContact O-N 3.42Å; R742-T746 PolarHBondContact O-N 3.27Å; R742-T746 PolarHBondContact O-OG1 3.01Å
743V94.7Very high93.4Very high74 Ų7460.9 Ų60.945%0.44830%0.299SS..Hα-helixtrans-63.7-41.7175.4174.30000110.9D739 K740 M745 T746 N747D739-V743 WeakPolarHBondContact O-CG2 3.28Å; D739-V743 PolarHBondContact O-N 3.46Å; K740-V743 PolarHBondContact O-N 2.98Å; V743-M745 PolarHBondContact O-N 3.06Å; V743-T746 PolarHBondContact O-N 3.47Å; V743-N747 WeakPolarHBondContact CG1-ND2 3.39Å; V743-N747 WeakPolarHBondContact O-CB 3.41Å; V743-N747 PolarHBondContact O-N 3.48Å
744A93.6Very high93.4Very high3 Ų363.6 Ų63.63%0.02532%0.315CS..Hα-helixtrans-62.5-39.8176.600000112.6K740 C741 N747 H748 Q749 M752 L753K740-A744 WeakPolarHBondContact O-CB 3.43Å; K740-A744 PolarHBondContact O-N 3Å; C741-A744 PolarHBondContact O-N 3.18Å; A744-N747 CarbonylContact O-C 3.24Å; A744-N747 PolarHBondContact O-N 3.39Å; A744-H748 PolarHBondContact O-N 3.34Å; A744-Q749 HydrophobicContact CB-CB 4.38Å; A744-Q749 PolarHBondContact O-N 3.29Å; A744-M752 HydrophobicContact CB-CB 3.69Å; A744-L753 HydrophobicContact CB-CB 4.26Å
745M93.1Very high93.1Very high3 Ų366 Ų662%0.01534%0.335CS..Hα-helixtrans-63.8-45.1173.5-70.7-177.4-65.300111.4C741 R742 V743 N747 H748 L753 V808 I812 Q818 F821 L822C741-M745 WeakPolarHBondContact O-CG 3.33Å; C741-M745 PolarHBondContact O-N 3.47Å; R742-M745 HydrophobicContact CB-CE 4.44Å; R742-M745 PolarHBondContact O-N 3.42Å; V743-M745 PolarHBondContact O-N 3.06Å; M745-N747 VanDerWaalsContact C-N 3.3Å; M745-N747 PolarHBondContact O-N 3.07Å; M745-H748 PolarHBondContact O-N 2.88Å; M745-L753 HydrophobicContact CG-CD1 4.01Å; M745-L753 HydrophobicContact CG-CD2 4.18Å; M745-L753 HydrophobicContact SD-CD1 4.23Å; M745-V808 HydrophobicContact CG-CG1 4.16Å; M745-V808 HydrophobicContact SD-CG1 3.98Å; M745-I812 HydrophobicContact CG-CG1 4.4Å; M745-Q818 HydrophobicContact CB-CG 4.41Å; M745-Q818 HydrophobicContact CG-CG 4.32Å; M745-Q818 HydrophobicContact SD-CB 3.82Å; M745-Q818 HydrophobicContact SD-CG 3.67Å; M745-F821 HydrophobicContact CE-CD1 3.91Å; M745-F821 HydrophobicContact CE-CE1 4.18Å; M745-F821 HydrophobicContact SD-CD1 4.04Å; M745-L822 HydrophobicContact CE-CD1 4.23Å; M745-L822 HydrophobicContact CE-CD2 3.82Å; M745-L822 HydrophobicContact CE-CG 3.94Å
746T93.4Very high93Very high95 Ų9562.7 Ų62.758%0.58332%0.323SS*.Hα-helixtrans-62.2-38.7177.9-51.90000111.9R742 V743 H748R742-T746 PolarHBondContact O-N 3.27Å; R742-T746 PolarHBondContact O-OG1 3.01Å; V743-T746 PolarHBondContact O-N 3.47Å; T746-H748 VanDerWaalsContact C-N 3.33Å; T746-H748 PolarHBondContact O-CE1 3.38Å; T746-H748 PolarHBondContact O-ND1 3.14Å
747N94.6Very high93Very high89 Ų8957.4 Ų57.448%0.47630%0.3SS..THydrogen-bonded Turntrans-88.94.5-179.5-67-18.7000113.6V743 A744 M745 Q749V743-N747 WeakPolarHBondContact CG1-ND2 3.39Å; V743-N747 WeakPolarHBondContact O-CB 3.41Å; V743-N747 PolarHBondContact O-N 3.48Å; A744-N747 CarbonylContact O-C 3.24Å; A744-N747 PolarHBondContact O-N 3.39Å; M745-N747 VanDerWaalsContact C-N 3.3Å; M745-N747 PolarHBondContact O-N 3.07Å; N747-Q749 HydrophobicContact CB-CG 4.22Å; N747-Q749 PolarHBondContact O-N 3.41Å
748H92.6Very high92.9Very high101 Ų10160.3 Ų60.347%0.46832%0.318SS..THydrogen-bonded Turntrans5842.2-179.9-51.891.1000114.3A744 M745 T746 P750 I812 Q813A744-H748 PolarHBondContact O-N 3.34Å; M745-H748 PolarHBondContact O-N 2.88Å; T746-H748 VanDerWaalsContact C-N 3.33Å; T746-H748 PolarHBondContact O-CE1 3.38Å; T746-H748 PolarHBondContact O-ND1 3.14Å; H748-P750 WeakPolarHBondContact O-CD 3.23Å; H748-I812 HydrophobicContact CB-CG2 4.32Å; H748-Q813 VanDerWaalsContact CD2-CG 3.45Å; H748-Q813 WeakPolarHBondContact CD2-CG 3.4Å
749Q93.3Very high92.7Very high89 Ų8960.9 Ų60.942%0.41632%0.322SS..  trans-11084.2-178.7-66.9177.1-7.800111.6A744 N747 Q751 M752 L753A744-Q749 HydrophobicContact CB-CB 4.38Å; A744-Q749 PolarHBondContact O-N 3.29Å; N747-Q749 HydrophobicContact CB-CG 4.22Å; N747-Q749 PolarHBondContact O-N 3.41Å; Q749-Q751 VanDerWaalsContact C-N 3.29Å; Q749-Q751 PolarHBondContact O-N 3.33Å; Q749-M752 HydrophobicContact CB-CB 3.96Å; Q749-M752 HydrophobicContact CB-CG 3.97Å; Q749-M752 PolarHBondContact O-N 3.23Å; Q749-M752 VanDerWaalsContact O-N 3.17Å; Q749-L753 PolarHBondContact O-N 3.17Å; Q749-L753 VanDerWaalsContact O-N 3.15Å
750P91.3Very high92.7Very high48 Ų4857.8 Ų57.831%0.31231%0.306SS..Hα-helixtrans-63.2-31.7-176.624.2-33.7000113.5H748 L753 V754 A809 I812H748-P750 WeakPolarHBondContact O-CD 3.23Å; P750-L753 PolarHBondContact O-N 3.49Å; P750-V754 WeakPolarHBondContact O-CG2 3.42Å; P750-V754 PolarHBondContact O-N 2.84Å; P750-A809 HydrophobicContact CB-CB 4.34Å; P750-I812 HydrophobicContact CB-CD1 4.08Å
751Q90Very high92.7Very high171 Ų17152.5 Ų52.580%0.79929%0.285SS*.Hα-helixtrans-64.9-41.1176-64-169.2-2.100112.1Q749 V754 A755Q749-Q751 VanDerWaalsContact C-N 3.29Å; Q749-Q751 PolarHBondContact O-N 3.33Å; Q751-V754 PolarHBondContact O-N 3.32Å; Q751-A755 WeakPolarHBondContact O-CB 3.3Å; Q751-A755 PolarHBondContact O-N 3.03Å
752M91.1Very high92.5Very high111 Ų11156.2 Ų56.255%0.54730%0.299SS..Hα-helixtrans-69.6-34.6178.5-65.2-58.5-67.700111.9A744 Q749 G756A744-M752 HydrophobicContact CB-CB 3.69Å; Q749-M752 HydrophobicContact CB-CB 3.96Å; Q749-M752 HydrophobicContact CB-CG 3.97Å; Q749-M752 PolarHBondContact O-N 3.23Å; Q749-M752 VanDerWaalsContact O-N 3.17Å; M752-G756 PolarHBondContact O-N 3.21Å
753L93.3Very high92.4Very high0 Ų052.1 Ų52.10%028%0.284CS..Hα-helixtrans-61.6-50.1171.8174.767.2000111.4C741 A744 M745 Q749 P750 A755 G756 A757 V808 I812 F821C741-L753 HydrophobicContact CB-CD1 3.63Å; A744-L753 HydrophobicContact CB-CB 4.26Å; M745-L753 HydrophobicContact CG-CD1 4.01Å; M745-L753 HydrophobicContact CG-CD2 4.18Å; M745-L753 HydrophobicContact SD-CD1 4.23Å; Q749-L753 PolarHBondContact O-N 3.17Å; Q749-L753 VanDerWaalsContact O-N 3.15Å; P750-L753 PolarHBondContact O-N 3.49Å; L753-A755 VanDerWaalsContact C-N 3.32Å; L753-A755 PolarHBondContact O-N 3.44Å; L753-G756 PolarHBondContact O-N 2.99Å; L753-A757 WeakPolarHBondContact O-CB 3.16Å; L753-A757 PolarHBondContact O-N 3.28Å; L753-V808 HydrophobicContact CD2-CB 3.65Å; L753-V808 HydrophobicContact CD2-CG1 3.29Å; L753-I812 HydrophobicContact CD2-CD1 4.47Å; L753-F821 HydrophobicContact CD1-CD1 4.19Å; L753-F821 HydrophobicContact CD1-CE1 3.76Å; L753-F821 HydrophobicContact CD1-CE2 4.47Å; L753-F821 HydrophobicContact CD1-CZ 3.91Å
754V92Very high92.4Very high61 Ų6148.6 Ų48.637%0.3726%0.263SS..Hα-helixtrans-62.2-41.6179.3172.50000110.8P750 Q751 A757 T758 A809P750-V754 WeakPolarHBondContact O-CG2 3.42Å; P750-V754 PolarHBondContact O-N 2.84Å; Q751-V754 PolarHBondContact O-N 3.32Å; V754-A757 PolarHBondContact O-N 2.83Å; V754-T758 VanDerWaalsContact O-CB 3.29Å; V754-T758 WeakPolarHBondContact O-CB 3.45Å; V754-T758 PolarHBondContact O-N 3.49Å; V754-T758 PolarHBondContact O-OG1 3.21Å; V754-A809 HydrophobicContact CG2-CB 3.66Å
755A89.1Confident92.3Very high51 Ų5152.5 Ų52.542%0.42128%0.283SS..Hα-helixtrans-60.4-45.8175.700000111.9Q751 L753 T758 S759Q751-A755 WeakPolarHBondContact O-CB 3.3Å; Q751-A755 PolarHBondContact O-N 3.03Å; L753-A755 VanDerWaalsContact C-N 3.32Å; L753-A755 PolarHBondContact O-N 3.44Å; A755-T758 PolarHBondContact O-N 3.41Å; A755-S759 PolarHBondContact O-N 2.99Å
756G91.9Very high92.1Very high8 Ų853.3 Ų53.38%0.08229%0.286CS..Hα-helixtrans-64.6-46.2176.800000113C741 M752 L753 T758 S759 I760C741-G756 VanDerWaalsContact SG-C 3.54Å; C741-G756 VanDerWaalsContact SG-CA 3.55Å; M752-G756 PolarHBondContact O-N 3.21Å; L753-G756 PolarHBondContact O-N 2.99Å; G756-T758 VanDerWaalsContact C-N 3.29Å; G756-T758 PolarHBondContact O-N 2.64Å; G756-S759 WeakPolarHBondContact O-CA 3.47Å; G756-S759 VanDerWaalsContact O-CB 3.26Å; G756-S759 WeakPolarHBondContact O-CB 3.42Å; G756-S759 PolarHBondContact O-N 3Å; G756-I760 WeakPolarHBondContact O-CG1 3.45Å; G756-I760 PolarHBondContact O-N 3.1Å
757A93.6Very high92.1Very high4 Ų448.9 Ų48.93%0.03326%0.258CS..Hα-helixtrans-61-38.7175.900000112.1C741 L753 V754 S759 I760 A761 M801 A805 F821C741-A757 PolarHBondContact SG-N 3.42Å; L753-A757 WeakPolarHBondContact O-CB 3.16Å; L753-A757 PolarHBondContact O-N 3.28Å; V754-A757 PolarHBondContact O-N 2.83Å; A757-S759 VanDerWaalsContact C-N 3.32Å; A757-S759 PolarHBondContact O-N 3.01Å; A757-I760 PolarHBondContact O-N 3.26Å; A757-A761 WeakPolarHBondContact O-CB 3.33Å; A757-A761 PolarHBondContact O-N 3.31Å; A757-M801 HydrophobicContact CB-SD 3.9Å; A757-A805 HydrophobicContact CB-CB 3.49Å; A757-A805 VanDerWaalsContact CB-CB 3.49Å; A757-F821 HydrophobicContact CB-CE2 4.01Å; A757-F821 HydrophobicContact CB-CZ 4.41Å
758T91.3Very high92.1Very high66 Ų6646 Ų4641%0.40524%0.243SC..Hα-helixtrans-66.7-34.2175-55.40000111.7V754 A755 G756 R762V754-T758 VanDerWaalsContact O-CB 3.29Å; V754-T758 WeakPolarHBondContact O-CB 3.45Å; V754-T758 PolarHBondContact O-N 3.49Å; V754-T758 PolarHBondContact O-OG1 3.21Å; A755-T758 PolarHBondContact O-N 3.41Å; G756-T758 VanDerWaalsContact C-N 3.29Å; G756-T758 PolarHBondContact O-N 2.64Å; T758-R762 WeakPolarHBondContact O-CB 3.44Å; T758-R762 WeakPolarHBondContact O-CG 3.49Å; T758-R762 PolarHBondContact O-N 3.4Å; T758-R762 VanDerWaalsContact O-N 3.13Å; T758-R762 PolarHBondContact O-NE 3.47Å
759S91Very high91.9Very high16 Ų1644.9 Ų44.911%0.11224%0.24CC..Hα-helixtrans-64.6-49172.2-167.60000111.4D737 A755 G756 A757 A761 R762 R763D737-S759 VanDerWaalsContact OD2-CB 3.28Å; D737-S759 WeakPolarHBondContact OD2-CB 3.31Å; D737-S759 PolarHBondContact OD2-OG 3.2Å; A755-S759 PolarHBondContact O-N 2.99Å; G756-S759 WeakPolarHBondContact O-CA 3.47Å; G756-S759 VanDerWaalsContact O-CB 3.26Å; G756-S759 WeakPolarHBondContact O-CB 3.42Å; G756-S759 PolarHBondContact O-N 3Å; A757-S759 VanDerWaalsContact C-N 3.32Å; A757-S759 PolarHBondContact O-N 3.01Å; S759-A761 VanDerWaalsContact C-N 3.35Å; S759-A761 PolarHBondContact O-N 2.8Å; S759-R762 PolarHBondContact O-N 2.92Å; S759-R762 VanDerWaalsContact O-N 3.17Å; S759-R763 WeakPolarHBondContact O-CG 3.3Å; S759-R763 PolarHBondContact O-N 2.79Å
760I94.6Very high91.8Very high1 Ų140.9 Ų40.91%0.00522%0.222CC..Hα-helixtrans-57-48177.2-64.4168.2000110.8I734 D737 L738 G756 A757 R762 R763 A764 M801 I828I734-I760 HydrophobicContact CG2-CG1 4.34Å; I734-I760 HydrophobicContact CG2-CG2 3.94Å; D737-I760 HydrophobicContact CB-CD1 4.35Å; D737-I760 HydrophobicContact CB-CG1 3.76Å; L738-I760 HydrophobicContact CB-CD1 4.25Å; L738-I760 HydrophobicContact CD1-CD1 4.14Å; G756-I760 WeakPolarHBondContact O-CG1 3.45Å; G756-I760 PolarHBondContact O-N 3.1Å; A757-I760 PolarHBondContact O-N 3.26Å; I760-R762 VanDerWaalsContact C-N 3.33Å; I760-R762 PolarHBondContact O-N 3.49Å; I760-R763 PolarHBondContact O-N 3.42Å; I760-A764 WeakPolarHBondContact O-CB 3.42Å; I760-A764 PolarHBondContact O-N 3.37Å; I760-M801 HydrophobicContact CB-CE 4.02Å; I760-M801 HydrophobicContact CG2-CE 3.75Å; I760-I828 HydrophobicContact CG2-CD1 4Å; I760-I828 HydrophobicContact CG2-CG2 4.2Å
761A93.2Very high91.8Very high12 Ų1238.6 Ų38.610%0.09921%0.207CC..Hα-helixtrans-61.1-40.5179.100000112.3A757 S759 N765 I798 M801 V802A757-A761 WeakPolarHBondContact O-CB 3.33Å; A757-A761 PolarHBondContact O-N 3.31Å; S759-A761 VanDerWaalsContact C-N 3.35Å; S759-A761 PolarHBondContact O-N 2.8Å; A761-N765 PolarHBondContact O-N 3.07Å; A761-N765 PolarHBondContact O-ND2 3.42Å; A761-I798 HydrophobicContact CB-CG2 4.18Å; A761-M801 HydrophobicContact CB-CE 3.98Å; A761-V802 HydrophobicContact CB-CG2 4.05Å
762R90.4Very high91.9Very high78 Ų7836.4 Ų36.429%0.29420%0.195SC..Hα-helixtrans-65.3-45.2176.7-81.2178-74.2168.52.8111.8D604 T758 S759 I760 N765 R766D604-R762 VanDerWaalsContact CB-NH1 3.31Å; D604-R762 IonicContact OD2-CZ 2.74Å; D604-R762 IonicContact OD2-NH1 3.95Å; D604-R762 PolarHBondContact OD2-NH1 2.98Å; T758-R762 WeakPolarHBondContact O-CB 3.44Å; T758-R762 WeakPolarHBondContact O-CG 3.49Å; T758-R762 PolarHBondContact O-N 3.4Å; T758-R762 VanDerWaalsContact O-N 3.13Å; T758-R762 PolarHBondContact O-NE 3.47Å; S759-R762 PolarHBondContact O-N 2.92Å; S759-R762 VanDerWaalsContact O-N 3.17Å; I760-R762 VanDerWaalsContact C-N 3.33Å; I760-R762 PolarHBondContact O-N 3.49Å; R762-N765 PolarHBondContact O-N 3.05Å; R762-R766 PolarHBondContact O-N 3.2Å
763R91.8Very high91.8Very high14 Ų1433.9 Ų33.95%0.05318%0.179CC..Hα-helixtrans-62.6-42.6176.6-68-177.6-170-85.52.8112.2S599 D600 A733 I734 D737 S759 I760 N765 R766 I767S599-R763 PolarHBondContact O-NH1 3.37Å; S599-R763 PolarHBondContact OG-NH1 3.16Å; D600-R763 IonicContact OD1-CZ 2.7Å; D600-R763 IonicContact OD1-NH1 3.02Å; D600-R763 PolarHBondContact OD1-NH1 3.4Å; D600-R763 VanDerWaalsContact OD1-NH1 3.13Å; D600-R763 IonicContact OD1-NH2 3.25Å; D600-R763 PolarHBondContact OD1-NH2 3Å; A733-R763 VanDerWaalsContact CB-NH1 3.29Å; I734-R763 HydrophobicContact CD1-CB 4.01Å; I734-R763 HydrophobicContact CG1-CB 3.79Å; D737-R763 IonicContact OD2-CZ 2.95Å; D737-R763 IonicContact OD2-NE 3.81Å; D737-R763 PolarHBondContact OD2-NE 3.02Å; D737-R763 VanDerWaalsContact OD2-NE 3.1Å; D737-R763 IonicContact OD2-NH2 3.85Å; S759-R763 WeakPolarHBondContact O-CG 3.3Å; S759-R763 PolarHBondContact O-N 2.79Å; I760-R763 PolarHBondContact O-N 3.42Å; R763-N765 PolarHBondContact O-N 3.34Å; R763-R766 WeakPolarHBondContact O-CB 3.46Å; R763-R766 PolarHBondContact O-N 3.29Å; R763-I767 WeakPolarHBondContact O-CG1 3.49Å; R763-I767 PolarHBondContact O-N 2.73Å
764A94.5Very high91.6Very high0 Ų034.9 Ų34.90%018%0.184CC..Hα-helixtrans-61-44.2174.900000112I760 R766 I767 L768 L794 I798 I828I760-A764 WeakPolarHBondContact O-CB 3.42Å; I760-A764 PolarHBondContact O-N 3.37Å; A764-R766 VanDerWaalsContact C-N 3.33Å; A764-R766 PolarHBondContact O-N 3.31Å; A764-I767 PolarHBondContact O-N 2.91Å; A764-L768 WeakPolarHBondContact O-CG 3.41Å; A764-L768 PolarHBondContact O-N 3.35Å; A764-L768 VanDerWaalsContact O-N 3.08Å; A764-L794 HydrophobicContact CB-CD1 4.29Å; A764-I798 HydrophobicContact CB-CD1 3.8Å; A764-I798 HydrophobicContact CB-CG1 3.96Å; A764-I828 HydrophobicContact CB-CG2 4.45Å
765N92.4Very high91.7Very high85 Ų8533 Ų3346%0.45517%0.172SC..Hα-helixtrans-64.2-35.7174.9-78.4-61.3000112.8A761 R762 R763 L768 L769A761-N765 PolarHBondContact O-N 3.07Å; A761-N765 PolarHBondContact O-ND2 3.42Å; R762-N765 PolarHBondContact O-N 3.05Å; R763-N765 PolarHBondContact O-N 3.34Å; N765-L768 PolarHBondContact O-N 2.97Å; N765-L769 PolarHBondContact O-N 2.82Å
766R89.3Confident91.9Very high19 Ų1935.5 Ų35.57%0.07218%0.175CC..Hα-helixtrans-62.9-43.6173.5-175.7-176177.7843.3111.3F602 D718 R762 R763 A764 L768 L769 V770F602-R766 VanDerWaalsContact C-NH1 3.34Å; F602-R766 PolarHBondContact O-NH1 3.3Å; D718-R766 IonicContact OD1-CZ 2.94Å; D718-R766 IonicContact OD1-NH2 3.87Å; D718-R766 PolarHBondContact OD1-NH2 2.98Å; D718-R766 IonicContact OD2-NH2 3.83Å; R762-R766 PolarHBondContact O-N 3.2Å; R763-R766 WeakPolarHBondContact O-CB 3.46Å; R763-R766 PolarHBondContact O-N 3.29Å; A764-R766 VanDerWaalsContact C-N 3.33Å; A764-R766 PolarHBondContact O-N 3.31Å; R766-L768 VanDerWaalsContact C-N 3.32Å; R766-L768 PolarHBondContact O-N 3.38Å; R766-L769 WeakPolarHBondContact O-CB 3.26Å; R766-L769 PolarHBondContact O-N 3.27Å; R766-L769 VanDerWaalsContact O-N 3.13Å; R766-V770 WeakPolarHBondContact O-CG2 3.28Å; R766-V770 PolarHBondContact O-N 3.47Å
767I93Very high91.8Very high2 Ų236 Ų361%0.0118%0.176CC..Hα-helixtrans-58.9-44.3175.6-69.1164.8000110.7L727 I734 R763 A764 L769 V770 A771 L794 V832 V835L727-I767 HydrophobicContact CD2-CB 4.36Å; L727-I767 HydrophobicContact CD2-CG1 4.1Å; L727-I767 HydrophobicContact CD2-CG2 3.73Å; I734-I767 HydrophobicContact CD1-CD1 3.95Å; R763-I767 WeakPolarHBondContact O-CG1 3.49Å; R763-I767 PolarHBondContact O-N 2.73Å; A764-I767 PolarHBondContact O-N 2.91Å; I767-L769 VanDerWaalsContact C-N 3.3Å; I767-L769 PolarHBondContact O-N 2.79Å; I767-V770 PolarHBondContact O-N 3.01Å; I767-A771 WeakPolarHBondContact O-CB 3.27Å; I767-A771 PolarHBondContact O-N 3.31Å; I767-L794 HydrophobicContact CB-CD2 4.12Å; I767-L794 HydrophobicContact CG2-CD2 3.67Å; I767-V832 HydrophobicContact CD1-CB 4.35Å; I767-V832 HydrophobicContact CD1-CG1 3.69Å; I767-V832 HydrophobicContact CD1-CG2 3.68Å; I767-V835 HydrophobicContact CG2-CB 4.43Å; I767-V835 HydrophobicContact CG2-CG1 3.92Å
768L93.5Very high91.8Very high28 Ų2836.3 Ų36.315%0.14718%0.178CC..Hα-helixtrans-60.4-39.8175-66.8174.5000112.4A764 N765 R766 K772 S791 L794 I798A764-L768 WeakPolarHBondContact O-CG 3.41Å; A764-L768 PolarHBondContact O-N 3.35Å; A764-L768 VanDerWaalsContact O-N 3.08Å; N765-L768 PolarHBondContact O-N 2.97Å; R766-L768 VanDerWaalsContact C-N 3.32Å; R766-L768 PolarHBondContact O-N 3.38Å; L768-K772 VanDerWaalsContact O-CB 3.28Å; L768-K772 WeakPolarHBondContact O-CB 3.44Å; L768-K772 PolarHBondContact O-N 3Å; L768-S791 WeakPolarHBondContact CD2-O 3.4Å; L768-L794 HydrophobicContact CD2-CB 3.99Å; L768-L794 HydrophobicContact CD2-CD2 3.82Å; L768-L794 HydrophobicContact CD2-CG 3.97Å; L768-L794 HydrophobicContact CG-CD2 3.99Å; L768-L794 HydrophobicContact CG-CG 4.25Å; L768-I798 HydrophobicContact CD1-CD1 3.83Å
769L89.6Confident91.8Very high78 Ų7836.9 Ų36.941%0.40818%0.176SC..Hα-helixtrans-65.9-43.7178.1-173.964.5000111.8N765 R766 I767 K772 R773N765-L769 PolarHBondContact O-N 2.82Å; R766-L769 WeakPolarHBondContact O-CB 3.26Å; R766-L769 PolarHBondContact O-N 3.27Å; R766-L769 VanDerWaalsContact O-N 3.13Å; I767-L769 VanDerWaalsContact C-N 3.3Å; I767-L769 PolarHBondContact O-N 2.79Å; L769-K772 PolarHBondContact O-N 2.81Å; L769-R773 WeakPolarHBondContact O-CG 2.95Å; L769-R773 PolarHBondContact O-N 2.91Å; L769-R773 VanDerWaalsContact O-N 3.12Å
770V90.3Very high91.8Very high6 Ų638.1 Ų38.14%0.03618%0.181CC..Hα-helixtrans-61.9-50175.1172.40000110.2T723 L726 R766 I767 K772 R773 E774T723-V770 HydrophobicContact CG2-CG1 3.68Å; L726-V770 HydrophobicContact CD2-CG1 4.47Å; L726-V770 HydrophobicContact CD2-CG2 3.93Å; R766-V770 WeakPolarHBondContact O-CG2 3.28Å; R766-V770 PolarHBondContact O-N 3.47Å; I767-V770 PolarHBondContact O-N 3.01Å; V770-K772 VanDerWaalsContact C-N 3.33Å; V770-K772 PolarHBondContact O-N 3.46Å; V770-R773 PolarHBondContact O-N 3.44Å; V770-R773 VanDerWaalsContact O-N 3.15Å; V770-E774 PolarHBondContact O-N 3.28Å
771A92.6Very high91.6Very high0 Ų042 Ų420%021%0.207CC..Hα-helixtrans-58.9-42.8178.500000112.4I767 R773 E774 V775 V787 S791 V835I767-A771 WeakPolarHBondContact O-CB 3.27Å; I767-A771 PolarHBondContact O-N 3.31Å; A771-R773 VanDerWaalsContact C-N 3.34Å; A771-R773 PolarHBondContact O-N 2.97Å; A771-E774 PolarHBondContact O-N 2.93Å; A771-V775 WeakPolarHBondContact O-CG2 3.4Å; A771-V775 PolarHBondContact O-N 3.11Å; A771-V787 HydrophobicContact CB-CG1 3.8Å; A771-S791 WeakPolarHBondContact CB-OG 3.45Å; A771-V835 HydrophobicContact CB-CG1 4.28Å
772K91.9Very high91.4Very high125 Ų12548.5 Ų48.554%0.54323%0.233SC..Hα-helixtrans-59.1-43.8176-177.2-179.8175.2-1730111.9L768 L769 V770 V775 E776L768-K772 VanDerWaalsContact O-CB 3.28Å; L768-K772 WeakPolarHBondContact O-CB 3.44Å; L768-K772 PolarHBondContact O-N 3Å; L769-K772 PolarHBondContact O-N 2.81Å; V770-K772 VanDerWaalsContact C-N 3.33Å; V770-K772 PolarHBondContact O-N 3.46Å; K772-V775 PolarHBondContact O-N 3.26Å; K772-E776 WeakPolarHBondContact CE-OE1 3.18Å; K772-E776 WeakPolarHBondContact O-CG 3.36Å; K772-E776 PolarHBondContact O-N 2.62Å
773R88.4Confident91.4Very high58 Ų5846.1 Ų46.122%0.21923%0.225CC..Hα-helixtrans-64.9-41.3178-73.2-178.2-170.5135.50.9112.4G714 D718 L769 V770 A771 V775 E776 N777G714-R773 WeakPolarHBondContact O-CD 3.49Å; G714-R773 PolarHBondContact O-NH1 3.09Å; D718-R773 IonicContact OD2-NH1 3.9Å; D718-R773 PolarHBondContact OD2-NH1 3.05Å; L769-R773 WeakPolarHBondContact O-CG 2.95Å; L769-R773 PolarHBondContact O-N 2.91Å; L769-R773 VanDerWaalsContact O-N 3.12Å; V770-R773 PolarHBondContact O-N 3.44Å; V770-R773 VanDerWaalsContact O-N 3.15Å; A771-R773 VanDerWaalsContact C-N 3.34Å; A771-R773 PolarHBondContact O-N 2.97Å; R773-V775 VanDerWaalsContact C-N 3.29Å; R773-V775 PolarHBondContact O-N 3.41Å; R773-E776 CarbonylContact O-C 3.53Å; R773-E776 WeakPolarHBondContact O-CB 3.44Å; R773-E776 PolarHBondContact O-N 3.11Å; R773-E776 VanDerWaalsContact O-N 3.13Å; R773-N777 WeakPolarHBondContact O-CB 3.34Å; R773-N777 PolarHBondContact O-N 3.12Å
774E90.3Very high91.5Very high21 Ų2150.3 Ų50.310%0.09824%0.241CC..Hα-helixtrans-66.7-32.6177.6-65.4-56.614300112.1T723 V770 A771 N777 S778 F839 R980T723-E774 HydrophobicContact CG2-CG 4.13Å; V770-E774 PolarHBondContact O-N 3.28Å; A771-E774 PolarHBondContact O-N 2.93Å; E774-N777 PolarHBondContact O-N 3.29Å; E774-S778 WeakPolarHBondContact O-CB 3.43Å; E774-S778 PolarHBondContact O-N 3.45Å; E774-F839 HydrophobicContact CB-CE1 3.73Å; E774-F839 HydrophobicContact CB-CZ 3.94Å; E774-F839 HydrophobicContact CG-CE1 3.8Å; E774-F839 HydrophobicContact CG-CZ 4.19Å; E774-R980 IonicContact OE1-NH1 3.35Å; E774-R980 IonicContact OE1-NH2 3.82Å
775V93.1Very high91.5Very high21 Ų2157.3 Ų57.313%0.12727%0.273CS..Hα-helixtrans-69.2-33.3170.8171.60000112.6A771 K772 R773 R784 V787A771-V775 WeakPolarHBondContact O-CG2 3.4Å; A771-V775 PolarHBondContact O-N 3.11Å; K772-V775 PolarHBondContact O-N 3.26Å; R773-V775 VanDerWaalsContact C-N 3.29Å; R773-V775 PolarHBondContact O-N 3.41Å; V775-R784 HydrophobicContact CG1-CB 4.17Å; V775-R784 HydrophobicContact CG1-CG 4.2Å; V775-R784 PolarHBondContact O-NE 2.85Å; V775-V787 HydrophobicContact CG2-CB 3.77Å; V775-V787 HydrophobicContact CG2-CG1 3.57Å
776E92.3Very high91.5Very high104 Ų10456.7 Ų56.749%0.48627%0.269SS..Hα-helixtrans-73.9-32.3174-73.3170.9-178.200112.1K772 R773 K979K772-E776 WeakPolarHBondContact CE-OE1 3.18Å; K772-E776 WeakPolarHBondContact O-CG 3.36Å; K772-E776 PolarHBondContact O-N 2.62Å; R773-E776 CarbonylContact O-C 3.53Å; R773-E776 WeakPolarHBondContact O-CB 3.44Å; R773-E776 PolarHBondContact O-N 3.11Å; R773-E776 VanDerWaalsContact O-N 3.13Å; E776-K979 PolarHBondContact O-NZ 3.15Å
777N91.1Very high91.8Very high18 Ų1855.8 Ų55.810%0.09627%0.265CS..Hα-helixtrans-73.6-37.2177.3-176.449.4000112.7R773 E774 D978 K979 R980R773-N777 WeakPolarHBondContact O-CB 3.34Å; R773-N777 PolarHBondContact O-N 3.12Å; E774-N777 PolarHBondContact O-N 3.29Å; N777-D978 PolarHBondContact ND2-OD1 3.34Å; N777-D978 PolarHBondContact ND2-OD2 2.9Å; N777-K979 WeakPolarHBondContact O-CB 3.31Å; N777-K979 WeakPolarHBondContact O-CD 3.31Å; N777-K979 WeakPolarHBondContact O-CG 3.33Å; N777-K979 PolarHBondContact O-N 3.36Å; N777-K979 WeakPolarHBondContact OD1-CB 3.45Å; N777-K979 PolarHBondContact OD1-N 2.95Å; N777-R980 PolarHBondContact OD1-N 3.31Å
778S92.4Very high91.9Very high11 Ų1161.8 Ų61.88%0.07729%0.291CS..BIsolated β-bridgetrans-85.5145.9-177.7-173.30000113.3E774 D780 R784 T977E774-S778 WeakPolarHBondContact O-CB 3.43Å; E774-S778 PolarHBondContact O-N 3.45Å; S778-D780 PolarHBondContact OG-N 3.1Å; S778-R784 WeakPolarHBondContact O-CD 3.26Å; S778-R784 PolarHBondContact O-NE 3.36Å; S778-T977 CarbonylContact C-O 3.42Å; S778-T977 WeakPolarHBondContact CA-O 3.24Å
779E92.9Very high92.1Very high78 Ų7863.3 Ų63.336%0.36431%0.308SS..  trans-108.1-1.7169.9-65.5177.4173.600112.5P781 T977 K979 R982E779-P781 VanDerWaalsContact O-CD 3.27Å; E779-P781 WeakPolarHBondContact O-CD 3.44Å; E779-T977 PolarHBondContact N-O 3.01Å; E779-K979 VanDerWaalsContact OE1-CE 3.29Å; E779-K979 WeakPolarHBondContact OE1-CE 3.15Å; E779-R982 IonicContact OE1-CZ 3.19Å; E779-R982 IonicContact OE1-NH1 3.48Å; E779-R982 PolarHBondContact OE1-NH1 2.99Å; E779-R982 IonicContact OE1-NH2 3.95Å; E779-R982 PolarHBondContact OE1-NH2 3.38Å; E779-R982 IonicContact OE2-CZ 3.74Å; E779-R982 IonicContact OE2-NH1 2.93Å; E779-R982 PolarHBondContact OE2-NH1 3.14Å; E779-R982 IonicContact OE2-NH2 2.84Å
780D90.1Very high92.4Very high41 Ų4160.1 Ų60.122%0.21929%0.293CS..  trans-74.7114175.2172.324000110.9S778 K782 F783 R784 T977S778-D780 PolarHBondContact OG-N 3.1Å; D780-K782 VanDerWaalsContact C-N 3.32Å; D780-K782 PolarHBondContact O-N 3.23Å; D780-K782 PolarHBondContact OD1-N 3Å; D780-K782 VanDerWaalsContact OD1-N 3.15Å; D780-F783 HydrophobicContact CB-CB 4.17Å; D780-F783 WeakPolarHBondContact OD2-CB 3.06Å; D780-F783 PolarHBondContact OD2-N 3.32Å; D780-R784 WeakPolarHBondContact O-CB 3.5Å; D780-R784 WeakPolarHBondContact O-CD 3.5Å; D780-R784 WeakPolarHBondContact O-CG 3.3Å; D780-R784 PolarHBondContact O-N 2.97Å; D780-R784 VanDerWaalsContact O-N 3.09Å; D780-T977 HydrophobicContact CB-CG2 4.49Å
781P90.1Very high92.7Very high84 Ų8460.5 Ų60.555%0.54530%0.296SS..Hα-helixtrans-59.1-39.7-178-23.535000113.4E779 R784 E785E779-P781 VanDerWaalsContact O-CD 3.27Å; E779-P781 WeakPolarHBondContact O-CD 3.44Å; P781-R784 PolarHBondContact O-N 3.2Å; P781-E785 WeakPolarHBondContact O-CG 3.49Å; P781-E785 PolarHBondContact O-N 3.29Å
782K89.7Confident92.9Very high147 Ų14764.5 Ų64.564%0.63932%0.317SS*.Hα-helixtrans-66.5-50.6-174.8-69.2-178-178.9178.60111.2D780 R784 E785 M786D780-K782 VanDerWaalsContact C-N 3.32Å; D780-K782 PolarHBondContact O-N 3.23Å; D780-K782 PolarHBondContact OD1-N 3Å; D780-K782 VanDerWaalsContact OD1-N 3.15Å; K782-R784 VanDerWaalsContact C-N 3.34Å; K782-R784 PolarHBondContact O-N 3.37Å; K782-E785 PolarHBondContact O-N 2.97Å; K782-M786 WeakPolarHBondContact O-CB 3.45Å; K782-M786 PolarHBondContact O-N 3.49Å
783F90.8Very high93.1Very high29 Ų2962.2 Ų62.213%0.12731%0.308CS..Hα-helixtrans-58.3-45.8175.2174.1-101.5000111.8D780 E785 M786 V787 F839D780-F783 HydrophobicContact CB-CB 4.17Å; D780-F783 WeakPolarHBondContact OD2-CB 3.06Å; D780-F783 PolarHBondContact OD2-N 3.32Å; F783-E785 PolarHBondContact O-N 2.76Å; F783-M786 HydrophobicContact CD2-CE 4.49Å; F783-M786 PolarHBondContact O-N 3.17Å; F783-V787 HydrophobicContact CD2-CG2 3.99Å; F783-V787 HydrophobicContact CE1-CG2 4.18Å; F783-V787 HydrophobicContact CE2-CG2 3.61Å; F783-V787 HydrophobicContact CG-CG2 4.44Å; F783-V787 HydrophobicContact CZ-CG2 3.73Å; F783-V787 WeakPolarHBondContact O-CG2 3.45Å; F783-V787 PolarHBondContact O-N 3.46Å; F783-F839 AromaticContact CE2-CD1 3.94Å; F783-F839 HydrophobicContact CE2-CD1 3.94Å; F783-F839 HydrophobicContact CE2-CE1 4.09Å; F783-F839 HydrophobicContact CE2-CG 4.43Å; F783-F839 AromaticContact CZ-CD1 3.81Å; F783-F839 HydrophobicContact CZ-CD1 3.81Å; F783-F839 AromaticContact CZ-CE1 3.53Å; F783-F839 HydrophobicContact CZ-CE1 3.53Å; F783-F839 HydrophobicContact CZ-CZ 4.16Å
784R93.7Very high93.5Very high102 Ų10259.4 Ų59.439%0.38530%0.298SS..Hα-helixtrans-61.4-44.1-179.2-69.8173.988-156.5-5.4112.6V775 S778 D780 P781 K782 K788V775-R784 HydrophobicContact CG1-CB 4.17Å; V775-R784 HydrophobicContact CG1-CG 4.2Å; V775-R784 PolarHBondContact O-NE 2.85Å; S778-R784 WeakPolarHBondContact O-CD 3.26Å; S778-R784 PolarHBondContact O-NE 3.36Å; D780-R784 WeakPolarHBondContact O-CB 3.5Å; D780-R784 WeakPolarHBondContact O-CD 3.5Å; D780-R784 WeakPolarHBondContact O-CG 3.3Å; D780-R784 PolarHBondContact O-N 2.97Å; D780-R784 VanDerWaalsContact O-N 3.09Å; P781-R784 PolarHBondContact O-N 3.2Å; K782-R784 VanDerWaalsContact C-N 3.34Å; K782-R784 PolarHBondContact O-N 3.37Å; R784-K788 WeakPolarHBondContact O-CB 3.46Å; R784-K788 PolarHBondContact O-N 3.22Å
785E93.7Very high93.9Very high146 Ų14661.4 Ų61.468%0.68231%0.314SS*.Hα-helixtrans-66.2-44.6177.8-74.9-171.5147.600111.9P781 K782 F783 K788 A789P781-E785 WeakPolarHBondContact O-CG 3.49Å; P781-E785 PolarHBondContact O-N 3.29Å; K782-E785 PolarHBondContact O-N 2.97Å; F783-E785 PolarHBondContact O-N 2.76Å; E785-K788 PolarHBondContact O-N 3.43Å; E785-A789 WeakPolarHBondContact O-CB 3.36Å; E785-A789 PolarHBondContact O-N 2.94Å
786M93.6Very high94Very high73 Ų7367.5 Ų67.536%0.3634%0.341SS..Hα-helixtrans-61.7-48.2-180-175.8176.150.500112.1K782 F783 A789 A790 A838K782-M786 WeakPolarHBondContact O-CB 3.45Å; K782-M786 PolarHBondContact O-N 3.49Å; F783-M786 HydrophobicContact CD2-CE 4.49Å; F783-M786 PolarHBondContact O-N 3.17Å; M786-A789 PolarHBondContact O-N 3.28Å; M786-A790 PolarHBondContact O-N 3.15Å; M786-A790 VanDerWaalsContact O-N 3.12Å; M786-A838 HydrophobicContact CE-CB 4.17Å; M786-A838 WeakPolarHBondContact CE-O 3.47Å; M786-A838 HydrophobicContact CG-CB 3.81Å; M786-A838 HydrophobicContact SD-CB 4.23Å
787V94.9Very high94.3Very high0 Ų063.7 Ų63.70%033%0.325CS..Hα-helixtrans-65.9-39.3177.81750000111.1A771 V775 F783 A790 S791 A838 F839A771-V787 HydrophobicContact CB-CG1 3.8Å; V775-V787 HydrophobicContact CG2-CB 3.77Å; V775-V787 HydrophobicContact CG2-CG1 3.57Å; F783-V787 HydrophobicContact CD2-CG2 3.99Å; F783-V787 HydrophobicContact CE1-CG2 4.18Å; F783-V787 HydrophobicContact CE2-CG2 3.61Å; F783-V787 HydrophobicContact CG-CG2 4.44Å; F783-V787 HydrophobicContact CZ-CG2 3.73Å; F783-V787 WeakPolarHBondContact O-CG2 3.45Å; F783-V787 PolarHBondContact O-N 3.46Å; V787-A790 PolarHBondContact O-N 3.12Å; V787-S791 VanDerWaalsContact O-CB 3.31Å; V787-S791 WeakPolarHBondContact O-CB 3.44Å; V787-S791 PolarHBondContact O-N 3.47Å; V787-S791 PolarHBondContact O-OG 3.36Å; V787-A838 HydrophobicContact CG2-CB 3.86Å; V787-F839 HydrophobicContact CG1-CE2 3.93Å; V787-F839 HydrophobicContact CG1-CZ 3.9Å; V787-F839 HydrophobicContact CG2-CD2 4.43Å; V787-F839 HydrophobicContact CG2-CE2 3.92Å; V787-F839 HydrophobicContact CG2-CZ 4Å
788K95.6Very high94.5Very high127 Ų12763.5 Ų63.555%0.55232%0.323SS*.Hα-helixtrans-64.1-44.7177.6-173178.1179.2-174.80111.7R784 E785 A790 S791 D792R784-K788 WeakPolarHBondContact O-CB 3.46Å; R784-K788 PolarHBondContact O-N 3.22Å; E785-K788 PolarHBondContact O-N 3.43Å; K788-A790 PolarHBondContact O-N 3.24Å; K788-S791 WeakPolarHBondContact O-CB 3.34Å; K788-S791 PolarHBondContact O-N 3.12Å; K788-D792 VanDerWaalsContact O-CG 3.32Å; K788-D792 PolarHBondContact O-N 3.28Å
789A96.1Very high94.6Very high61 Ų6166.5 Ų66.550%0.50435%0.345SS..Hα-helixtrans-60.6-46.2177.300000112E785 M786 S791 D792 E793E785-A789 WeakPolarHBondContact O-CB 3.36Å; E785-A789 PolarHBondContact O-N 2.94Å; M786-A789 PolarHBondContact O-N 3.28Å; A789-S791 VanDerWaalsContact C-N 3.31Å; A789-S791 PolarHBondContact O-N 3.08Å; A789-D792 PolarHBondContact O-N 2.75Å; A789-E793 PolarHBondContact O-N 3.16Å; A789-E793 VanDerWaalsContact O-N 3.13Å
790A96.7Very high94.8Very high10 Ų1065.5 Ų65.58%0.08335%0.345CS..Hα-helixtrans-64.1-36.6176.100000112.4M786 V787 K788 E793 L794 K834 V835M786-A790 PolarHBondContact O-N 3.15Å; M786-A790 VanDerWaalsContact O-N 3.12Å; V787-A790 PolarHBondContact O-N 3.12Å; K788-A790 PolarHBondContact O-N 3.24Å; A790-E793 PolarHBondContact O-N 3.42Å; A790-L794 PolarHBondContact O-N 3.29Å; A790-K834 HydrophobicContact CB-CB 4.45Å; A790-V835 HydrophobicContact CB-CB 4.36Å; A790-V835 HydrophobicContact CB-CG2 3.75Å; A790-V835 WeakPolarHBondContact O-CG2 3.42Å
791S96.9Very high95.1Very high14 Ų1463.5 Ų63.510%0.09833%0.334CS..Hα-helixtrans-67.1-41.3176.4-59.50000112.3L768 A771 V787 K788 A789 E793 L794 S795L768-S791 WeakPolarHBondContact CD2-O 3.4Å; A771-S791 WeakPolarHBondContact CB-OG 3.45Å; V787-S791 VanDerWaalsContact O-CB 3.31Å; V787-S791 WeakPolarHBondContact O-CB 3.44Å; V787-S791 PolarHBondContact O-N 3.47Å; V787-S791 PolarHBondContact O-OG 3.36Å; K788-S791 WeakPolarHBondContact O-CB 3.34Å; K788-S791 PolarHBondContact O-N 3.12Å; A789-S791 VanDerWaalsContact C-N 3.31Å; A789-S791 PolarHBondContact O-N 3.08Å; S791-E793 VanDerWaalsContact C-N 3.31Å; S791-E793 PolarHBondContact O-N 2.76Å; S791-L794 PolarHBondContact O-N 3.11Å; S791-S795 WeakPolarHBondContact O-CB 3.44Å; S791-S795 PolarHBondContact O-N 3.15Å
792D96.4Very high95.3Very high84 Ų8461.7 Ų61.745%0.44932%0.322SS..Hα-helixtrans-63.1-39.6176.7-72.2-23.3000110.9K788 A789 S795 Q796K788-D792 VanDerWaalsContact O-CG 3.32Å; K788-D792 PolarHBondContact O-N 3.28Å; A789-D792 PolarHBondContact O-N 2.75Å; D792-S795 PolarHBondContact O-N 2.94Å; D792-Q796 WeakPolarHBondContact O-CG 3.41Å; D792-Q796 PolarHBondContact O-N 3.09Å
793E96.8Very high95.5Very high77 Ų7761 Ų6136%0.3632%0.322SS..Hα-helixtrans-61.8-49.3173.3-171.5177.8164.600111.5A789 A790 S791 S795 Q796 T797 A831 K834A789-E793 PolarHBondContact O-N 3.16Å; A789-E793 VanDerWaalsContact O-N 3.13Å; A790-E793 PolarHBondContact O-N 3.42Å; S791-E793 VanDerWaalsContact C-N 3.31Å; S791-E793 PolarHBondContact O-N 2.76Å; E793-S795 PolarHBondContact O-N 3.47Å; E793-Q796 PolarHBondContact O-N 2.65Å; E793-T797 WeakPolarHBondContact O-CG2 3.49Å; E793-A831 HydrophobicContact CG-CB 4.41Å; E793-K834 IonicContact OE1-NZ 2.66Å; E793-K834 PolarHBondContact OE1-NZ 2.89Å; E793-K834 VanDerWaalsContact OE2-CD 3.27Å; E793-K834 WeakPolarHBondContact OE2-CD 3.37Å; E793-K834 IonicContact OE2-NZ 2.75Å; E793-K834 PolarHBondContact OE2-NZ 3.44Å
794L97.4Very high95.7Very high0 Ų062.2 Ų62.20%033%0.33CS..Hα-helixtrans-58.9-44.9178174.860.1000111.9A764 I767 L768 A790 S791 Q796 T797 I828 A831 V832 V835A764-L794 HydrophobicContact CB-CD1 4.29Å; I767-L794 HydrophobicContact CB-CD2 4.12Å; I767-L794 HydrophobicContact CG2-CD2 3.67Å; L768-L794 HydrophobicContact CD2-CB 3.99Å; L768-L794 HydrophobicContact CD2-CD2 3.82Å; L768-L794 HydrophobicContact CD2-CG 3.97Å; L768-L794 HydrophobicContact CG-CD2 3.99Å; L768-L794 HydrophobicContact CG-CG 4.25Å; A790-L794 PolarHBondContact O-N 3.29Å; S791-L794 PolarHBondContact O-N 3.11Å; L794-Q796 VanDerWaalsContact C-N 3.28Å; L794-Q796 PolarHBondContact O-N 3.09Å; L794-T797 PolarHBondContact O-N 3.38Å; L794-T797 PolarHBondContact O-OG1 3.21Å; L794-I828 HydrophobicContact CD1-CG2 4.27Å; L794-A831 HydrophobicContact CB-CB 4Å; L794-A831 HydrophobicContact CD1-CB 4Å; L794-V832 HydrophobicContact CD1-CG2 3.69Å; L794-V832 HydrophobicContact CD2-CG2 4.06Å; L794-V835 HydrophobicContact CB-CG2 4.29Å; L794-V835 HydrophobicContact CD2-CG2 4.2Å
795S97.2Very high95.7Very high62 Ų6257.5 Ų57.543%0.43431%0.313SS..Hα-helixtrans-56.4-40.8179.5-175.70000112.8S791 D792 E793 T797 I798S791-S795 WeakPolarHBondContact O-CB 3.44Å; S791-S795 PolarHBondContact O-N 3.15Å; D792-S795 PolarHBondContact O-N 2.94Å; E793-S795 PolarHBondContact O-N 3.47Å; S795-T797 PolarHBondContact O-N 2.88Å; S795-I798 PolarHBondContact O-N 2.93Å
796Q96.7Very high95.7Very high150 Ų15057.7 Ų57.770%0.70131%0.312SS*.Hα-helixtrans-68.1-20179.6-68173.524.800113.5D792 E793 L794 P800D792-Q796 WeakPolarHBondContact O-CG 3.41Å; D792-Q796 PolarHBondContact O-N 3.09Å; E793-Q796 PolarHBondContact O-N 2.65Å; L794-Q796 VanDerWaalsContact C-N 3.28Å; L794-Q796 PolarHBondContact O-N 3.09Å; Q796-P800 VanDerWaalsContact O-CD 3.29Å; Q796-P800 WeakPolarHBondContact O-CD 3.48Å
797T96.6Very high95.7Very high23 Ų2356.2 Ų56.214%0.14131%0.311CS..Hα-helixtrans-85.2-19.1-178.765.60000114.5E793 L794 S795 P800 K827 I828 A831E793-T797 WeakPolarHBondContact O-CG2 3.49Å; L794-T797 PolarHBondContact O-N 3.38Å; L794-T797 PolarHBondContact O-OG1 3.21Å; S795-T797 PolarHBondContact O-N 2.88Å; T797-P800 WeakPolarHBondContact O-CD 3.42Å; T797-K827 HydrophobicContact CG2-CB 4.49Å; T797-I828 WeakPolarHBondContact OG1-CG1 3.22Å; T797-A831 HydrophobicContact CG2-CB 4.28Å
798I95.3Very high95.6Very high14 Ų1456.2 Ų56.27%0.07231%0.311CS..Hα-helixtrans-69.1-51.5-172.7-61.7175.2000111.8A761 A764 L768 S795 M801 V802A761-I798 HydrophobicContact CB-CG2 4.18Å; A764-I798 HydrophobicContact CB-CD1 3.8Å; A764-I798 HydrophobicContact CB-CG1 3.96Å; L768-I798 HydrophobicContact CD1-CD1 3.83Å; S795-I798 PolarHBondContact O-N 2.93Å; I798-M801 PolarHBondContact O-N 3.35Å; I798-V802 HydrophobicContact CG2-CG2 4.42Å; I798-V802 PolarHBondContact O-N 3.36Å; I798-V802 VanDerWaalsContact O-N 3.12Å
799S95.3Very high95.4Very high75 Ų7551.7 Ų51.752%0.52430%0.297SS..Hα-helixtrans-59.7-46.4-176.3-66.50000113.2M801 V802 M803S799-M801 VanDerWaalsContact C-N 3.33Å; S799-M801 PolarHBondContact O-N 3.42Å; S799-V802 PolarHBondContact O-N 3.47Å; S799-M803 WeakPolarHBondContact O-CG 3.38Å; S799-M803 PolarHBondContact O-N 2.93Å
800P96.6Very high95.2Very high56 Ų5652.1 Ų52.136%0.36431%0.308SS..Hα-helixtrans-55-43.9173.9-27.735.2000113.8Q796 T797 V802 M803 N804Q796-P800 VanDerWaalsContact O-CD 3.29Å; Q796-P800 WeakPolarHBondContact O-CD 3.48Å; T797-P800 WeakPolarHBondContact O-CD 3.42Å; P800-V802 PolarHBondContact O-N 2.71Å; P800-M803 PolarHBondContact O-N 3.21Å; P800-N804 WeakPolarHBondContact O-CB 3.27Å; P800-N804 VanDerWaalsContact O-CG 3.3Å; P800-N804 PolarHBondContact O-N 2.71Å; P800-N804 PolarHBondContact O-ND2 3.43Å
801M96.4Very high94.9Very high0 Ų055.5 Ų55.50%032%0.324CS..Hα-helixtrans-63.6-43.9179.5-179.1-82.5-64.900111.7A757 I760 A761 I798 S799 M803 N804 A805 F821 I828A757-M801 HydrophobicContact CB-SD 3.9Å; I760-M801 HydrophobicContact CB-CE 4.02Å; I760-M801 HydrophobicContact CG2-CE 3.75Å; A761-M801 HydrophobicContact CB-CE 3.98Å; I798-M801 PolarHBondContact O-N 3.35Å; S799-M801 VanDerWaalsContact C-N 3.33Å; S799-M801 PolarHBondContact O-N 3.42Å; M801-M803 PolarHBondContact O-N 3.22Å; M801-N804 PolarHBondContact O-N 3.07Å; M801-A805 WeakPolarHBondContact O-CB 3.44Å; M801-A805 PolarHBondContact O-N 2.73Å; M801-F821 HydrophobicContact CG-CD2 4.35Å; M801-F821 HydrophobicContact CG-CE2 4.02Å; M801-F821 HydrophobicContact SD-CE2 3.81Å; M801-I828 HydrophobicContact CB-CD1 3.56Å; M801-I828 HydrophobicContact CE-CD1 3.61Å; M801-I828 HydrophobicContact CG-CD1 3.72Å
802V94.8Very high94.7Very high46 Ų4655.8 Ų55.828%0.27932%0.324SS..Hα-helixtrans-64.5-40.4178.3174.60000111.6A761 I798 S799 P800 A805 K806A761-V802 HydrophobicContact CB-CG2 4.05Å; I798-V802 HydrophobicContact CG2-CG2 4.42Å; I798-V802 PolarHBondContact O-N 3.36Å; I798-V802 VanDerWaalsContact O-N 3.12Å; S799-V802 PolarHBondContact O-N 3.47Å; P800-V802 PolarHBondContact O-N 2.71Å; V802-A805 PolarHBondContact O-N 3.43Å; V802-K806 WeakPolarHBondContact O-CG 3.44Å; V802-K806 PolarHBondContact O-N 2.73Å; V802-K806 VanDerWaalsContact O-N 3.09Å
803M94.3Very high94.4Very high133 Ų13358.1 Ų58.166%0.65533%0.333SS*.Hα-helixtrans-63.7-45175.6-71-178.2178.400111.5S799 P800 M801 A805 K806 A807S799-M803 WeakPolarHBondContact O-CG 3.38Å; S799-M803 PolarHBondContact O-N 2.93Å; P800-M803 PolarHBondContact O-N 3.21Å; M801-M803 PolarHBondContact O-N 3.22Å; M803-A805 PolarHBondContact O-N 3.28Å; M803-K806 WeakPolarHBondContact O-CB 3.39Å; M803-K806 PolarHBondContact O-N 2.83Å; M803-A807 PolarHBondContact O-N 3.05Å
804N94.9Very high94.2Very high53 Ų5356.6 Ų56.628%0.28333%0.327SS..Hα-helixtrans-65.8-38.2177.9-71.4-25.6000112.1P800 M801 K806 A807 V808 G820 F821 S824P800-N804 WeakPolarHBondContact O-CB 3.27Å; P800-N804 VanDerWaalsContact O-CG 3.3Å; P800-N804 PolarHBondContact O-N 2.71Å; P800-N804 PolarHBondContact O-ND2 3.43Å; M801-N804 PolarHBondContact O-N 3.07Å; N804-K806 VanDerWaalsContact C-N 3.33Å; N804-K806 PolarHBondContact O-N 3.21Å; N804-A807 PolarHBondContact O-N 2.95Å; N804-V808 WeakPolarHBondContact O-CG2 3.15Å; N804-V808 PolarHBondContact O-N 2.91Å; N804-G820 PolarHBondContact ND2-O 3.1Å; N804-F821 HydrophobicContact CB-CB 4.16Å; N804-S824 PolarHBondContact ND2-OG 3.39Å
805A93.8Very high93.9Very high4 Ų460.9 Ų60.93%0.03336%0.355CS..Hα-helixtrans-60.9-41.4173.800000112.1A757 M801 V802 M803 V808 A809 F821A757-A805 HydrophobicContact CB-CB 3.49Å; A757-A805 VanDerWaalsContact CB-CB 3.49Å; M801-A805 WeakPolarHBondContact O-CB 3.44Å; M801-A805 PolarHBondContact O-N 2.73Å; V802-A805 PolarHBondContact O-N 3.43Å; M803-A805 PolarHBondContact O-N 3.28Å; A805-V808 PolarHBondContact O-N 2.68Å; A805-A809 WeakPolarHBondContact O-CB 3.47Å; A805-A809 PolarHBondContact O-N 2.95Å; A805-F821 HydrophobicContact CB-CD2 3.77Å; A805-F821 HydrophobicContact CB-CE2 3.76Å
806K93.5Very high93.7Very high150 Ų15064 Ų6465%0.65237%0.367SS*.Hα-helixtrans-64.7-40.9174.8-73176.1-179.1-178.90112V802 M803 N804 A809 G810V802-K806 WeakPolarHBondContact O-CG 3.44Å; V802-K806 PolarHBondContact O-N 2.73Å; V802-K806 VanDerWaalsContact O-N 3.09Å; M803-K806 WeakPolarHBondContact O-CB 3.39Å; M803-K806 PolarHBondContact O-N 2.83Å; N804-K806 VanDerWaalsContact C-N 3.33Å; N804-K806 PolarHBondContact O-N 3.21Å; K806-A809 PolarHBondContact O-N 3.36Å; K806-G810 PolarHBondContact O-N 3.32Å; K806-G810 VanDerWaalsContact O-N 3.14Å
807A92.9Very high93.5Very high41 Ų4159.5 Ų59.534%0.33935%0.347SS..Hα-helixtrans-62.1-46.9176.900000111.5M803 N804 A809 G810 N811 L817M803-A807 PolarHBondContact O-N 3.05Å; N804-A807 PolarHBondContact O-N 2.95Å; A807-A809 VanDerWaalsContact C-N 3.34Å; A807-A809 PolarHBondContact O-N 2.84Å; A807-G810 PolarHBondContact O-N 2.78Å; A807-G810 VanDerWaalsContact O-N 3.17Å; A807-N811 PolarHBondContact O-N 3.36Å; A807-L817 HydrophobicContact CB-CD2 4.21Å
808V94.2Very high93.3Very high0 Ų060.7 Ų60.70%035%0.351CS..Hα-helixtrans-63.8-38.5175.1-179.90000111.3M745 L753 N804 A805 G810 N811 I812 L817 Q818 F821M745-V808 HydrophobicContact CG-CG1 4.16Å; M745-V808 HydrophobicContact SD-CG1 3.98Å; L753-V808 HydrophobicContact CD2-CB 3.65Å; L753-V808 HydrophobicContact CD2-CG1 3.29Å; N804-V808 WeakPolarHBondContact O-CG2 3.15Å; N804-V808 PolarHBondContact O-N 2.91Å; A805-V808 PolarHBondContact O-N 2.68Å; V808-G810 PolarHBondContact O-N 2.95Å; V808-N811 CarbonylContact O-C 3.52Å; V808-N811 PolarHBondContact O-N 2.82Å; V808-N811 VanDerWaalsContact O-N 3.13Å; V808-I812 HydrophobicContact CG1-CG1 4.14Å; V808-I812 WeakPolarHBondContact O-CA 3.14Å; V808-I812 PolarHBondContact O-N 3.37Å; V808-L817 HydrophobicContact CG2-CB 3.69Å; V808-L817 WeakPolarHBondContact CG2-O 3.02Å; V808-Q818 HydrophobicContact CG1-CG 4.25Å; V808-F821 HydrophobicContact CG2-CB 3.91Å
809A91.4Very high93.3Very high32 Ų3266.2 Ų66.226%0.26438%0.375SS..Hα-helixtrans-61.9-29.9176.600000112.8P750 V754 A805 K806 A807P750-A809 HydrophobicContact CB-CB 4.34Å; V754-A809 HydrophobicContact CG2-CB 3.66Å; A805-A809 WeakPolarHBondContact O-CB 3.47Å; A805-A809 PolarHBondContact O-N 2.95Å; K806-A809 PolarHBondContact O-N 3.36Å; A807-A809 VanDerWaalsContact C-N 3.34Å; A807-A809 PolarHBondContact O-N 2.84Å
810G90.3Very high93.2Very high71 Ų7163.7 Ų63.773%0.73236%0.361SS*.Hα-helixtrans-74.2-31.1174.100000114.1K806 A807 V808K806-G810 PolarHBondContact O-N 3.32Å; K806-G810 VanDerWaalsContact O-N 3.14Å; A807-G810 PolarHBondContact O-N 2.78Å; A807-G810 VanDerWaalsContact O-N 3.17Å; V808-G810 PolarHBondContact O-N 2.95Å
811N91.9Very high93.2Very high81 Ų8161 Ų6143%0.43334%0.344SS..SBendtrans-146.182.2174.6-173.54.9000111.2A807 V808 Q813 D814 L817A807-N811 PolarHBondContact O-N 3.36Å; V808-N811 CarbonylContact O-C 3.52Å; V808-N811 PolarHBondContact O-N 2.82Å; V808-N811 VanDerWaalsContact O-N 3.13Å; N811-Q813 PolarHBondContact O-N 2.93Å; N811-Q813 VanDerWaalsContact O-N 3.14Å; N811-D814 PolarHBondContact O-N 2.92Å; N811-L817 HydrophobicContact CB-CD1 4.27Å
812I91.2Very high93.1Very high19 Ų1962.7 Ų62.710%0.09735%0.352CS..THydrogen-bonded Turntrans-69.7-14.1-169.4-165158000113.8M745 H748 P750 L753 V808 Q818M745-I812 HydrophobicContact CG-CG1 4.4Å; H748-I812 HydrophobicContact CB-CG2 4.32Å; P750-I812 HydrophobicContact CB-CD1 4.08Å; L753-I812 HydrophobicContact CD2-CD1 4.47Å; V808-I812 HydrophobicContact CG1-CG1 4.14Å; V808-I812 WeakPolarHBondContact O-CA 3.14Å; V808-I812 PolarHBondContact O-N 3.37Å; I812-Q818 PolarHBondContact O-NE2 2.81Å
813Q90.4Very high93.1Very high133 Ų13364.2 Ų64.262%0.62136%0.359SS*.THydrogen-bonded Turntrans-88.9-11.8-178.3-69.8179.89.300113.3H748 N811 P815H748-Q813 VanDerWaalsContact CD2-CG 3.45Å; H748-Q813 WeakPolarHBondContact CD2-CG 3.4Å; N811-Q813 PolarHBondContact O-N 2.93Å; N811-Q813 VanDerWaalsContact O-N 3.14Å; Q813-P815 WeakPolarHBondContact O-CD 3.43Å
814D93.7Very high93.2Very high45 Ų4558.5 Ų58.524%0.24133%0.332CS..  trans-73.9112.5-177.1-173.4-22.8000111.5N811 N816 L817 Q818N811-D814 PolarHBondContact O-N 2.92Å; D814-N816 VanDerWaalsContact C-N 3.25Å; D814-N816 PolarHBondContact O-N 2.93Å; D814-N816 WeakPolarHBondContact OD1-CB 3.49Å; D814-N816 PolarHBondContact OD1-N 3.48Å; D814-L817 HydrophobicContact CB-CB 4.12Å; D814-L817 HydrophobicContact CB-CD1 3.87Å; D814-L817 HydrophobicContact CB-CG 3.93Å; D814-L817 PolarHBondContact O-N 3.26Å; D814-Q818 WeakPolarHBondContact O-CG 3.46Å; D814-Q818 PolarHBondContact O-N 3.1Å
815P91Very high93.2Very high90 Ų9056 Ų5658%0.58432%0.319SS*.Hα-helixtrans-63.2-29.1-177.8-21.534.8000113.6Q813 K819Q813-P815 WeakPolarHBondContact O-CD 3.43Å; P815-K819 WeakPolarHBondContact O-CB 3.37Å; P815-K819 PolarHBondContact O-N 3Å
816N93.3Very high93.2Very high128 Ų12861.7 Ų61.768%0.68434%0.34SS*.Hα-helixtrans-72.6-40.1-179.9-68.6-43000111.2D814 K819 G820D814-N816 VanDerWaalsContact C-N 3.25Å; D814-N816 PolarHBondContact O-N 2.93Å; D814-N816 WeakPolarHBondContact OD1-CB 3.49Å; D814-N816 PolarHBondContact OD1-N 3.48Å; N816-K819 PolarHBondContact O-N 3.3Å; N816-G820 PolarHBondContact O-N 3.18Å
817L92.6Very high93.4Very high56 Ų5661.3 Ų61.329%0.29334%0.338SS..Hα-helixtrans-66.8-44.1174.9-62.8-179.7000110.7A807 V808 N811 D814 K819 G820 F821A807-L817 HydrophobicContact CB-CD2 4.21Å; V808-L817 HydrophobicContact CG2-CB 3.69Å; V808-L817 WeakPolarHBondContact CG2-O 3.02Å; N811-L817 HydrophobicContact CB-CD1 4.27Å; D814-L817 HydrophobicContact CB-CB 4.12Å; D814-L817 HydrophobicContact CB-CD1 3.87Å; D814-L817 HydrophobicContact CB-CG 3.93Å; D814-L817 PolarHBondContact O-N 3.26Å; L817-K819 VanDerWaalsContact C-N 3.32Å; L817-K819 PolarHBondContact O-N 2.89Å; L817-G820 PolarHBondContact O-N 3.2Å; L817-F821 PolarHBondContact O-N 2.96Å
818Q92.3Very high93.6Very high48 Ų4859.3 Ų59.322%0.22432%0.322CS..Hα-helixtrans-57.3-45.9176-68.8-179.24.300111.3M745 V808 I812 D814 F821 L822M745-Q818 HydrophobicContact CB-CG 4.41Å; M745-Q818 HydrophobicContact CG-CG 4.32Å; M745-Q818 HydrophobicContact SD-CB 3.82Å; M745-Q818 HydrophobicContact SD-CG 3.67Å; V808-Q818 HydrophobicContact CG1-CG 4.25Å; I812-Q818 PolarHBondContact O-NE2 2.81Å; D814-Q818 WeakPolarHBondContact O-CG 3.46Å; D814-Q818 PolarHBondContact O-N 3.1Å; Q818-F821 PolarHBondContact O-N 3.47Å; Q818-L822 WeakPolarHBondContact O-CG 3.45Å; Q818-L822 PolarHBondContact O-N 3.17Å
819K94Very high93.6Very high129 Ų12960.2 Ų60.256%0.56133%0.327SS*.Hα-helixtrans-60.9-46.9175.9-176.1178.8177.2-179.70112P815 N816 L817 F821 L822 D823P815-K819 WeakPolarHBondContact O-CB 3.37Å; P815-K819 PolarHBondContact O-N 3Å; N816-K819 PolarHBondContact O-N 3.3Å; L817-K819 VanDerWaalsContact C-N 3.32Å; L817-K819 PolarHBondContact O-N 2.89Å; K819-F821 VanDerWaalsContact C-N 3.29Å; K819-F821 PolarHBondContact O-N 3.28Å; K819-L822 PolarHBondContact O-N 3.14Å; K819-L822 VanDerWaalsContact O-N 3.16Å; K819-D823 WeakPolarHBondContact O-CB 3.47Å; K819-D823 VanDerWaalsContact O-CG 3.31Å; K819-D823 PolarHBondContact O-N 3.43Å
820G93.9Very high93.8Very high23 Ų2360.4 Ų60.424%0.23733%0.332CS..Hα-helixtrans-59.8-37.4178.500000113.6N804 N816 L817 S824N804-G820 PolarHBondContact ND2-O 3.1Å; N816-G820 PolarHBondContact O-N 3.18Å; L817-G820 PolarHBondContact O-N 3.2Å; G820-S824 PolarHBondContact O-N 3.14Å; G820-S824 PolarHBondContact O-OG 2.83Å
821F95.4Very high94.1Very high0 Ų057.1 Ų57.10%030%0.298CS..Hα-helixtrans-65.2-48.8172168.4-100.3000112.1L738 C741 M745 L753 A757 M801 N804 A805 V808 L817 Q818 K819 D823 S824 G825L738-F821 HydrophobicContact CD1-CE1 4.07Å; L738-F821 HydrophobicContact CD1-CZ 4.23Å; C741-F821 HydrophobicContact CB-CE1 3.59Å; C741-F821 HydrophobicContact CB-CZ 3.79Å; M745-F821 HydrophobicContact CE-CD1 3.91Å; M745-F821 HydrophobicContact CE-CE1 4.18Å; M745-F821 HydrophobicContact SD-CD1 4.04Å; L753-F821 HydrophobicContact CD1-CD1 4.19Å; L753-F821 HydrophobicContact CD1-CE1 3.76Å; L753-F821 HydrophobicContact CD1-CE2 4.47Å; L753-F821 HydrophobicContact CD1-CZ 3.91Å; A757-F821 HydrophobicContact CB-CE2 4.01Å; A757-F821 HydrophobicContact CB-CZ 4.41Å; M801-F821 HydrophobicContact CG-CD2 4.35Å; M801-F821 HydrophobicContact CG-CE2 4.02Å; M801-F821 HydrophobicContact SD-CE2 3.81Å; N804-F821 HydrophobicContact CB-CB 4.16Å; A805-F821 HydrophobicContact CB-CD2 3.77Å; A805-F821 HydrophobicContact CB-CE2 3.76Å; V808-F821 HydrophobicContact CG2-CB 3.91Å; L817-F821 PolarHBondContact O-N 2.96Å; Q818-F821 PolarHBondContact O-N 3.47Å; K819-F821 VanDerWaalsContact C-N 3.29Å; K819-F821 PolarHBondContact O-N 3.28Å; F821-D823 PolarHBondContact O-N 3.07Å; F821-S824 WeakPolarHBondContact O-CB 3.36Å; F821-S824 PolarHBondContact O-N 3.28Å; F821-G825 PolarHBondContact O-N 3.31Å
822L94.8Very high94.3Very high34 Ų3453.3 Ų53.318%0.17828%0.277CS..Hα-helixtrans-61.7-44.2179.3-70.6174.8000112.2L738 M745 Q818 K819 S824 G825 Y826L738-L822 HydrophobicContact CD1-CD2 4.22Å; L738-L822 HydrophobicContact CG-CD2 4.44Å; M745-L822 HydrophobicContact CE-CD1 4.23Å; M745-L822 HydrophobicContact CE-CD2 3.82Å; M745-L822 HydrophobicContact CE-CG 3.94Å; Q818-L822 WeakPolarHBondContact O-CG 3.45Å; Q818-L822 PolarHBondContact O-N 3.17Å; K819-L822 PolarHBondContact O-N 3.14Å; K819-L822 VanDerWaalsContact O-N 3.16Å; L822-S824 PolarHBondContact O-N 2.67Å; L822-G825 WeakPolarHBondContact O-CA 3.42Å; L822-G825 PolarHBondContact O-N 2.98Å; L822-Y826 HydrophobicContact CB-CE2 4.32Å; L822-Y826 WeakPolarHBondContact O-CD2 3.16Å; L822-Y826 PolarHBondContact O-N 3.25Å
823D95.5Very high94.5Very high79 Ų7953.2 Ų53.242%0.42228%0.28SS..Hα-helixtrans-58.6-39.1176.2-71.4-13.7000111.2K819 F821 K827K819-D823 WeakPolarHBondContact O-CB 3.47Å; K819-D823 VanDerWaalsContact O-CG 3.31Å; K819-D823 PolarHBondContact O-N 3.43Å; F821-D823 PolarHBondContact O-N 3.07Å; D823-K827 WeakPolarHBondContact O-CG 3.5Å; D823-K827 PolarHBondContact O-N 2.67Å; D823-K827 VanDerWaalsContact O-N 3.13Å
824S95.8Very high94.7Very high12 Ų1251.2 Ų51.28%0.08427%0.269CS..Hα-helixtrans-70.4-36.2175.3-54.60000112.3N804 G820 F821 L822 K827 I828N804-S824 PolarHBondContact ND2-OG 3.39Å; G820-S824 PolarHBondContact O-N 3.14Å; G820-S824 PolarHBondContact O-OG 2.83Å; F821-S824 WeakPolarHBondContact O-CB 3.36Å; F821-S824 PolarHBondContact O-N 3.28Å; L822-S824 PolarHBondContact O-N 2.67Å; S824-K827 PolarHBondContact O-N 3.04Å; S824-I828 PolarHBondContact O-N 3.3Å; S824-I828 VanDerWaalsContact O-N 3.11Å
825G94.3Very high94.8Very high1 Ų149.1 Ų49.11%0.0126%0.258CS..Hα-helixtrans-63.6-44174.300000112.9F821 L822 K827 I828 L829F821-G825 PolarHBondContact O-N 3.31Å; L822-G825 WeakPolarHBondContact O-CA 3.42Å; L822-G825 PolarHBondContact O-N 2.98Å; G825-K827 VanDerWaalsContact C-N 3.34Å; G825-K827 PolarHBondContact O-N 2.7Å; G825-I828 WeakPolarHBondContact O-CB 3.41Å; G825-I828 PolarHBondContact O-N 3.44Å; G825-L829 PolarHBondContact O-N 2.92Å; G825-L829 VanDerWaalsContact O-N 3.13Å
826Y95.6Very high94.9Very high124 Ų12447.5 Ų47.549%0.48624%0.24SC..Hα-helixtrans-68.1-31.8175.6-69.9-61.3000112.9L738 L822 L829 G830L738-Y826 HydrophobicContact CD2-CD1 4.03Å; L738-Y826 HydrophobicContact CD2-CE1 3.83Å; L738-Y826 HydrophobicContact CD2-CG 4.46Å; L822-Y826 HydrophobicContact CB-CE2 4.32Å; L822-Y826 WeakPolarHBondContact O-CD2 3.16Å; L822-Y826 PolarHBondContact O-N 3.25Å; Y826-L829 HydrophobicContact CD1-CD1 4.12Å; Y826-L829 PolarHBondContact O-N 3.44Å; Y826-G830 PolarHBondContact O-N 3.39Å
827K96.3Very high94.8Very high141 Ų14146.4 Ų46.461%0.61323%0.231SC*.Hα-helixtrans-63.1-42171-76.1174.1-177.9179.80112.4T797 D823 S824 G825 L829 G830 A831T797-K827 HydrophobicContact CG2-CB 4.49Å; D823-K827 WeakPolarHBondContact O-CG 3.5Å; D823-K827 PolarHBondContact O-N 2.67Å; D823-K827 VanDerWaalsContact O-N 3.13Å; S824-K827 PolarHBondContact O-N 3.04Å; G825-K827 VanDerWaalsContact C-N 3.34Å; G825-K827 PolarHBondContact O-N 2.7Å; K827-L829 VanDerWaalsContact C-N 3.33Å; K827-L829 PolarHBondContact O-N 3.47Å; K827-G830 PolarHBondContact O-N 3.4Å; K827-A831 PolarHBondContact O-N 3.41Å
828I96.6Very high94.7Very high0 Ų044 Ų440%022%0.219CC..Hα-helixtrans-57.9-48172.7-73.7176.3000110I734 I760 A764 L794 T797 M801 S824 G825 G830 A831 V832I734-I828 HydrophobicContact CG2-CG2 4.44Å; I760-I828 HydrophobicContact CG2-CD1 4Å; I760-I828 HydrophobicContact CG2-CG2 4.2Å; A764-I828 HydrophobicContact CB-CG2 4.45Å; L794-I828 HydrophobicContact CD1-CG2 4.27Å; T797-I828 WeakPolarHBondContact OG1-CG1 3.22Å; M801-I828 HydrophobicContact CB-CD1 3.56Å; M801-I828 HydrophobicContact CE-CD1 3.61Å; M801-I828 HydrophobicContact CG-CD1 3.72Å; S824-I828 PolarHBondContact O-N 3.3Å; S824-I828 VanDerWaalsContact O-N 3.11Å; G825-I828 WeakPolarHBondContact O-CB 3.41Å; G825-I828 PolarHBondContact O-N 3.44Å; I828-G830 VanDerWaalsContact C-N 3.35Å; I828-G830 PolarHBondContact O-N 3.26Å; I828-A831 PolarHBondContact O-N 2.86Å; I828-V832 HydrophobicContact CG2-CG2 4.26Å; I828-V832 WeakPolarHBondContact O-CG2 3.27Å; I828-V832 PolarHBondContact O-N 2.87Å
829L94.8Very high94.6Very high19 Ų1943.4 Ų43.410%0.09922%0.215CC..Hα-helixtrans-59.2-43.7178.8-79.4170.3000112.5E731 I734 K735 L738 G825 Y826 K827 A831 V832 A833E731-L829 HydrophobicContact CG-CD2 4.06Å; I734-L829 HydrophobicContact CB-CD2 3.98Å; I734-L829 HydrophobicContact CG2-CD2 3.57Å; I734-L829 HydrophobicContact CG2-CG 3.94Å; K735-L829 HydrophobicContact CG-CD1 3.87Å; K735-L829 HydrophobicContact CG-CD2 3.61Å; K735-L829 HydrophobicContact CG-CG 4.42Å; L738-L829 HydrophobicContact CD2-CD1 3.98Å; G825-L829 PolarHBondContact O-N 2.92Å; G825-L829 VanDerWaalsContact O-N 3.13Å; Y826-L829 HydrophobicContact CD1-CD1 4.12Å; Y826-L829 PolarHBondContact O-N 3.44Å; K827-L829 VanDerWaalsContact C-N 3.33Å; K827-L829 PolarHBondContact O-N 3.47Å; L829-A831 PolarHBondContact O-N 2.58Å; L829-V832 PolarHBondContact O-N 3.29Å; L829-A833 PolarHBondContact O-N 2.91Å
830G96.3Very high94Very high36 Ų3641.2 Ų41.237%0.37121%0.207SC..Hα-helixtrans-61.7-41.7175.600000113Y826 K827 I828 A833 K834Y826-G830 PolarHBondContact O-N 3.39Å; K827-G830 PolarHBondContact O-N 3.4Å; I828-G830 VanDerWaalsContact C-N 3.35Å; I828-G830 PolarHBondContact O-N 3.26Å; G830-A833 PolarHBondContact O-N 3.06Å; G830-K834 WeakPolarHBondContact O-CG 3.24Å; G830-K834 PolarHBondContact O-N 3.4Å; G830-K834 VanDerWaalsContact O-N 3.1Å
831A96.9Very high92.8Very high1 Ų145.4 Ų45.41%0.00823%0.23CC..Hα-helixtrans-68.4-37.8176.700000112.4E793 L794 T797 K827 I828 L829 K834 V835E793-A831 HydrophobicContact CG-CB 4.41Å; L794-A831 HydrophobicContact CB-CB 4Å; L794-A831 HydrophobicContact CD1-CB 4Å; T797-A831 HydrophobicContact CG2-CB 4.28Å; K827-A831 PolarHBondContact O-N 3.41Å; I828-A831 PolarHBondContact O-N 2.86Å; L829-A831 PolarHBondContact O-N 2.58Å; A831-K834 PolarHBondContact O-N 3.37Å; A831-V835 WeakPolarHBondContact O-CG2 3.47Å; A831-V835 PolarHBondContact O-N 3.02Å
832V95.9Very high91.1Very high1 Ų153.1 Ų53.11%0.00627%0.266CS..Hα-helixtrans-61.3-44.5172.2167.80000111.2E731 I734 I767 L794 I828 L829 K834 V835 R836E731-V832 HydrophobicContact CB-CG1 3.84Å; E731-V832 HydrophobicContact CG-CG1 3.88Å; I734-V832 HydrophobicContact CD1-CG2 4Å; I767-V832 HydrophobicContact CD1-CB 4.35Å; I767-V832 HydrophobicContact CD1-CG1 3.69Å; I767-V832 HydrophobicContact CD1-CG2 3.68Å; L794-V832 HydrophobicContact CD1-CG2 3.69Å; L794-V832 HydrophobicContact CD2-CG2 4.06Å; I828-V832 HydrophobicContact CG2-CG2 4.26Å; I828-V832 WeakPolarHBondContact O-CG2 3.27Å; I828-V832 PolarHBondContact O-N 2.87Å; L829-V832 PolarHBondContact O-N 3.29Å; V832-K834 VanDerWaalsContact C-N 3.31Å; V832-K834 PolarHBondContact O-N 3Å; V832-V835 WeakPolarHBondContact O-CB 3.34Å; V832-V835 PolarHBondContact O-N 2.94Å; V832-V835 VanDerWaalsContact O-N 3.16Å; V832-R836 PolarHBondContact O-N 3.38Å
833A94.4Very high89Confident18 Ų1859.9 Ų59.915%0.14930%0.297CS..Hα-helixtrans-60.4-40.4177.700000111.9L829 G830 R836 E837L829-A833 PolarHBondContact O-N 2.91Å; G830-A833 PolarHBondContact O-N 3.06Å; A833-R836 WeakPolarHBondContact O-CB 3.28Å; A833-R836 PolarHBondContact O-N 3.36Å; A833-E837 WeakPolarHBondContact O-CG 3.3Å; A833-E837 PolarHBondContact O-N 3.24Å
834K94.8Very high87.1Confident91 Ų9161.2 Ų61.240%0.39631%0.31SS..Hα-helixtrans-62.6-42.3173.3-73.3176.2172.4-177.40113A790 E793 G830 A831 V832 R836 E837 A838A790-K834 HydrophobicContact CB-CB 4.45Å; E793-K834 IonicContact OE1-NZ 2.66Å; E793-K834 PolarHBondContact OE1-NZ 2.89Å; E793-K834 VanDerWaalsContact OE2-CD 3.27Å; E793-K834 WeakPolarHBondContact OE2-CD 3.37Å; E793-K834 IonicContact OE2-NZ 2.75Å; E793-K834 PolarHBondContact OE2-NZ 3.44Å; G830-K834 WeakPolarHBondContact O-CG 3.24Å; G830-K834 PolarHBondContact O-N 3.4Å; G830-K834 VanDerWaalsContact O-N 3.1Å; A831-K834 PolarHBondContact O-N 3.37Å; V832-K834 VanDerWaalsContact C-N 3.31Å; V832-K834 PolarHBondContact O-N 3Å; K834-R836 VanDerWaalsContact C-N 3.29Å; K834-R836 PolarHBondContact O-N 2.85Å; K834-E837 PolarHBondContact O-N 3.19Å; K834-A838 PolarHBondContact O-N 2.97Å; K834-A838 VanDerWaalsContact O-N 3.1Å
835V95.3Very high84.8Confident0 Ų068.5 Ų68.50%035%0.348CS..Hα-helixtrans-58.6-46.4173.7173.50000109.3I767 A771 A790 L794 A831 V832 E837 A838 F839I767-V835 HydrophobicContact CG2-CB 4.43Å; I767-V835 HydrophobicContact CG2-CG1 3.92Å; A771-V835 HydrophobicContact CB-CG1 4.28Å; A790-V835 HydrophobicContact CB-CB 4.36Å; A790-V835 HydrophobicContact CB-CG2 3.75Å; A790-V835 WeakPolarHBondContact O-CG2 3.42Å; L794-V835 HydrophobicContact CB-CG2 4.29Å; L794-V835 HydrophobicContact CD2-CG2 4.2Å; A831-V835 WeakPolarHBondContact O-CG2 3.47Å; A831-V835 PolarHBondContact O-N 3.02Å; V832-V835 WeakPolarHBondContact O-CB 3.34Å; V832-V835 PolarHBondContact O-N 2.94Å; V832-V835 VanDerWaalsContact O-N 3.16Å; V835-E837 PolarHBondContact O-N 3.35Å; V835-A838 WeakPolarHBondContact O-CB 3.4Å; V835-A838 PolarHBondContact O-N 3.45Å; V835-F839 HydrophobicContact CG1-CE2 4.17Å; V835-F839 WeakPolarHBondContact O-CD2 3.42Å
836R93.5Very high82.5Confident57 Ų5776.8 Ų76.822%0.21538%0.384CS..Hα-helixtrans-61.3-43.5177-175.7-159.464152.9-0.8113.1L727 D728 E731 V832 A833 K834 A838 F839L727-R836 HydrophobicContact CB-CB 4.31Å; L727-R836 HydrophobicContact CB-CG 4.17Å; L727-R836 HydrophobicContact CD1-CB 4.39Å; D728-R836 WeakPolarHBondContact OD1-CD 3.18Å; D728-R836 IonicContact OD1-CZ 3.09Å; D728-R836 IonicContact OD1-NE 2.7Å; D728-R836 IonicContact OD1-NH1 2.79Å; D728-R836 PolarHBondContact OD1-NH1 3.47Å; E731-R836 IonicContact OE2-NE 2.77Å; V832-R836 PolarHBondContact O-N 3.38Å; A833-R836 WeakPolarHBondContact O-CB 3.28Å; A833-R836 PolarHBondContact O-N 3.36Å; K834-R836 VanDerWaalsContact C-N 3.29Å; K834-R836 PolarHBondContact O-N 2.85Å; R836-A838 PolarHBondContact O-N 3.41Å; R836-F839 PolarHBondContact O-N 2.93Å
837E91Very high80.6Confident105 Ų10576.3 Ų76.349%0.49140%0.396SS..Hα-helixtrans-60.1-33.7177.4-76.2167.1-170.300112.2A833 K834 V835 F839 Q840A833-E837 WeakPolarHBondContact O-CG 3.3Å; A833-E837 PolarHBondContact O-N 3.24Å; K834-E837 PolarHBondContact O-N 3.19Å; V835-E837 PolarHBondContact O-N 3.35Å; E837-F839 PolarHBondContact O-N 2.92Å; E837-F839 VanDerWaalsContact O-N 3.13Å; E837-Q840 WeakPolarHBondContact O-CB 3.26Å; E837-Q840 PolarHBondContact O-N 3.4Å
838A91.7Very high78.9Confident5 Ų573.5 Ų73.54%0.04139%0.392CS..THydrogen-bonded Turntrans-62.6-17.7174.300000114M786 V787 K834 V835 R836M786-A838 HydrophobicContact CE-CB 4.17Å; M786-A838 WeakPolarHBondContact CE-O 3.47Å; M786-A838 HydrophobicContact CG-CB 3.81Å; M786-A838 HydrophobicContact SD-CB 4.23Å; V787-A838 HydrophobicContact CG2-CB 3.86Å; K834-A838 PolarHBondContact O-N 2.97Å; K834-A838 VanDerWaalsContact O-N 3.1Å; V835-A838 WeakPolarHBondContact O-CB 3.4Å; V835-A838 PolarHBondContact O-N 3.45Å; R836-A838 PolarHBondContact O-N 3.41Å
839F88.8Confident77.3Confident35 Ų3579 Ų7915%0.15443%0.428CS..THydrogen-bonded Turntrans-96.2-1.8174.5-70-96.3000113.4T723 L727 E774 F783 V787 V835 R836 E837T723-F839 HydrophobicContact CG2-CD1 4.16Å; T723-F839 HydrophobicContact CG2-CE1 3.91Å; T723-F839 HydrophobicContact CG2-CZ 4.37Å; L727-F839 HydrophobicContact CD1-CD2 3.59Å; L727-F839 HydrophobicContact CD1-CE2 3.91Å; L727-F839 HydrophobicContact CD1-CG 4.15Å; E774-F839 HydrophobicContact CB-CE1 3.73Å; E774-F839 HydrophobicContact CB-CZ 3.94Å; E774-F839 HydrophobicContact CG-CE1 3.8Å; E774-F839 HydrophobicContact CG-CZ 4.19Å; F783-F839 AromaticContact CE2-CD1 3.94Å; F783-F839 HydrophobicContact CE2-CD1 3.94Å; F783-F839 HydrophobicContact CE2-CE1 4.09Å; F783-F839 HydrophobicContact CE2-CG 4.43Å; F783-F839 AromaticContact CZ-CD1 3.81Å; F783-F839 HydrophobicContact CZ-CD1 3.81Å; F783-F839 AromaticContact CZ-CE1 3.53Å; F783-F839 HydrophobicContact CZ-CE1 3.53Å; F783-F839 HydrophobicContact CZ-CZ 4.16Å; V787-F839 HydrophobicContact CG1-CE2 3.93Å; V787-F839 HydrophobicContact CG1-CZ 3.9Å; V787-F839 HydrophobicContact CG2-CD2 4.43Å; V787-F839 HydrophobicContact CG2-CE2 3.92Å; V787-F839 HydrophobicContact CG2-CZ 4Å; V835-F839 HydrophobicContact CG1-CE2 4.17Å; V835-F839 WeakPolarHBondContact O-CD2 3.42Å; R836-F839 PolarHBondContact O-N 2.93Å; E837-F839 PolarHBondContact O-N 2.92Å; E837-F839 VanDerWaalsContact O-N 3.13Å
840Q82.1Confident75.7Confident84 Ų8483.6 Ų83.639%0.39346%0.459SS..SBendtrans-74.1140.6174.5-67.9-170.5800110.6E837 Q842E837-Q840 WeakPolarHBondContact O-CB 3.26Å; E837-Q840 PolarHBondContact O-N 3.4Å; Q840-Q842 PolarHBondContact O-N 3.02Å
841P68.1Low74.2Confident110 Ų11086.9 Ų86.971%0.71447%0.474SS*.  trans-57.1123.8169.1-17.629.5000108.7E843P841-E843 VanDerWaalsContact C-N 3.34Å; P841-E843 PolarHBondContact O-N 3.07Å
842Q61.1Low72.4Confident163 Ų16394.1 Ų94.176%0.76251%0.507SS*.  trans-67.8100.3163.5-75.5-170.5-19.200106.3Q840 P844Q840-Q842 PolarHBondContact O-N 3.02Å; Q842-P844 VanDerWaalsContact O-CD 3.29Å; Q842-P844 WeakPolarHBondContact O-CD 3.38Å
843E49.6Very low70.8Confident176 Ų176100.3 Ų100.382%0.82254%0.54SS*.  trans-59.9121.5167.2-74.2-171.4168.900107.3P841 D845P841-E843 VanDerWaalsContact C-N 3.34Å; P841-E843 PolarHBondContact O-N 3.07Å; E843-D845 PolarHBondContact O-N 3.1Å
844P55.3Low69.3Low107 Ų107107 Ų10770%0.69557%0.573SS**  trans-62.313216525-28.7000107.6Q842 F846Q842-P844 VanDerWaalsContact O-CD 3.29Å; Q842-P844 WeakPolarHBondContact O-CD 3.38Å; P844-F846 PolarHBondContact O-N 3.34Å
845D48.8Very low67.6Low165 Ų165110.4 Ų110.488%0.88259%0.59SS**  trans-58.781.4172.4-78.9-41.1000110.3E843E843-D845 PolarHBondContact O-N 3.1Å
846F46.4Very low65.7Low175 Ų175116.5 Ų116.577%0.76862%0.622SS**  trans-149.3138171.4-109.7-92.5000110.8P844 P848P844-F846 PolarHBondContact O-N 3.34Å; F846-P848 VanDerWaalsContact CE1-CD 3.43Å; F846-P848 HydrophobicContact CE1-CG 4.33Å
847P55.7Low64.1Low113 Ų113121.5 Ų121.573%0.73465%0.653SS**PPolyproline II helixcis-102.9161.915.737.2-30.2000115
848P59.4Low62.6Low83 Ų83123.4 Ų123.454%0.53967%0.666SS.*PPolyproline II helixtrans-57152162.626.2-33.8000110.3F846F846-P848 VanDerWaalsContact CE1-CD 3.43Å; F846-P848 HydrophobicContact CE1-CG 4.33Å
849P63.3Low60.8Low114 Ų114130.6 Ų130.674%0.7470%0.704SS**PPolyproline II helixtrans-55.2139.417722.1-31.7000110.3
850P61.8Low59.1Low116 Ų116136.6 Ų136.675%0.75374%0.738SS**PPolyproline II helixtrans-57137.2177.423.1-31.5000109.5E852P850-E852 PolarHBondContact O-N 2.86Å
851P65.2Low57.6Low106 Ų106141.6 Ų141.669%0.68876%0.761SS**PPolyproline II helixtrans-61.4134.2175.623.8-30.8000109.8L853P851-L853 PolarHBondContact O-N 3.03Å
852E57.9Low56.8Low153 Ų153141.2 Ų141.272%0.71577%0.767SS**  trans-66.9100175.5-68.2-173.5176.300109.7P850 D854P850-E852 PolarHBondContact O-N 2.86Å; E852-D854 PolarHBondContact O-N 3.35Å
853L63.2Low56.5Low131 Ų131137.7 Ų137.769%0.68677%0.765SS**G310 helixtrans-77.7-3.7-179.2-70.9165.6000113.4P851 Q855P851-L853 PolarHBondContact O-N 3.03Å; L853-Q855 PolarHBondContact O-N 2.91Å; L853-Q855 VanDerWaalsContact O-N 3.12Å
854D63.3Low56.8Low159 Ų159134.8 Ų134.885%0.8576%0.762SS**G310 helixtrans-73.1-0.7-172.8-67.1-18.1000114.5E852E852-D854 PolarHBondContact O-N 3.35Å
855Q57.4Low56.7Low161 Ų161135.8 Ų135.875%0.75277%0.768SS**G310 helixtrans-103.66.2-176.2-61-174.82400114.7L853L853-Q855 PolarHBondContact O-N 2.91Å; L853-Q855 VanDerWaalsContact O-N 3.12Å
856L55.5Low56.9Low129 Ų129137.2 Ų137.268%0.67577%0.767SS**  trans-102.287.8179.1-82159000112
857N60.6Low57.5Low162 Ų162134 Ų13487%0.86676%0.764SS**  trans-93.692.6159.4-95.1-13.9000109.1N859N857-N859 PolarHBondContact O-N 3.46Å
858L59.6Low57.4Low144 Ų144134.9 Ų134.975%0.75477%0.769SS**  trans-82.7107.7162.8-73.6164.1000107.3D860L858-D860 PolarHBondContact O-N 2.88Å; L858-D860 VanDerWaalsContact O-N 3.11Å
859N54.2Low56.9Low156 Ų156138.6 Ų138.683%0.83478%0.784SS**  trans-58.4111.3166.1-83.4-23000108.3N857 E861N857-N859 PolarHBondContact O-N 3.46Å; N859-E861 VanDerWaalsContact C-N 3.29Å; N859-E861 PolarHBondContact O-N 3.41Å
860D52.2Low56.5Low162 Ų162138.7 Ų138.787%0.86678%0.784SS**  trans-69.186.8168.9-80.9-29.7000109.3L858 A862L858-D860 PolarHBondContact O-N 2.88Å; L858-D860 VanDerWaalsContact O-N 3.11Å; D860-A862 PolarHBondContact O-N 3.41Å
861E50.2Low56.1Low189 Ų189142.9 Ų142.988%0.88379%0.794SS**  trans-65.4114.8155.6-100.5-168.2158.600107.9N859 A863N859-E861 VanDerWaalsContact C-N 3.29Å; N859-E861 PolarHBondContact O-N 3.41Å; E861-A863 PolarHBondContact O-N 3.03Å; E861-A863 VanDerWaalsContact O-N 3.14Å
862A52.9Low55.7Low101 Ų101141.2 Ų141.284%0.83580%0.796SS**PPolyproline II helixtrans-54.6119.4177.100000110.7D860D860-A862 PolarHBondContact O-N 3.41Å
863A53.5Low55.4Low89 Ų89143.4 Ų143.474%0.73681%0.806SS**PPolyproline II helixtrans-61.4142.2178.100000111.8E861E861-A863 PolarHBondContact O-N 3.03Å; E861-A863 VanDerWaalsContact O-N 3.14Å
864P56Low55.4Low115 Ų115143.5 Ų143.575%0.74781%0.812SS**PPolyproline II helixtrans-66.3154.1178.527.5-32.8000111.6K866P864-K866 PolarHBondContact O-N 3.15Å
865P54.2Low55.1Low128 Ų128141 Ų14183%0.83180%0.804SS**PPolyproline II helixtrans-63.7137-175.625.1-32.1000111.8
866K51.9Low55.4Low195 Ų195139 Ų13985%0.84881%0.805SS**PPolyproline II helixtrans-63.3136.8-179-76.4178.6176.2177.10111.9P864P864-K866 PolarHBondContact O-N 3.15Å
867P59.6Low56Low108 Ų108138.6 Ų138.670%0.70181%0.81SS**PPolyproline II helixtrans-68.3155.2164.628.4-31.2000111
868P53.3Low55.9Low131 Ų131141.6 Ų141.685%0.85181%0.809SS**PPolyproline II helixtrans-65.5135.2-179.325.3-31.2000111.7
869L50Low56.3Low162 Ų162139.3 Ų139.385%0.84880%0.803SS**PPolyproline II helixtrans-71.3142.8179.1-83.4147.2000111.7
870P55Low56.7Low116 Ų116137.4 Ų137.475%0.75380%0.799SS**PPolyproline II helixtrans-69.9140.1167.325.2-24000110.7G872P870-G872 PolarHBondContact O-N 3.43Å
871E52Low56.8Low204 Ų204134.5 Ų134.595%0.95379%0.789SS**THydrogen-bonded Turntrans-60.6121179.1-64.9179.4163.200111
872G57.2Low57.1Low71 Ų71130.7 Ų130.773%0.73278%0.781SS**THydrogen-bonded Turntrans150.5-17.2162.200000119.6P870P870-G872 PolarHBondContact O-N 3.43Å
873E52.4Low57.1Low198 Ų198134.6 Ų134.693%0.92578%0.782SS**  trans-110.393.5-179.3-72.7-172.8176.100111.9
874V61.6Low57.1Low134 Ų134137.2 Ų137.281%0.81278%0.779SS**PPolyproline II helixtrans-88.9137.4166.7-124.50000108.7
875P57.1Low57.2Low106 Ų106139.9 Ų139.969%0.68878%0.779SS**PPolyproline II helixtrans-54.7149171.2-20.330.1000110.8
876P65Low57.7Low118 Ų118135.6 Ų135.677%0.76675%0.749SS**PPolyproline II helixtrans-54.6140.4178.121.6-31.5000110.6R878P876-R878 PolarHBondContact O-N 2.93Å
877P68Low58.5Low121 Ų121133.1 Ų133.179%0.78674%0.74SS**PPolyproline II helixtrans-59125.8179.423.3-31.7000109.1P879P877-P879 WeakPolarHBondContact O-CD 3.47Å
878R57.1Low59.3Low225 Ų225136.4 Ų136.485%0.84975%0.747SS**PPolyproline II helixtrans-60.4119.9175.5-173.7-179-78.9-146.6-2.7107.4P876P876-R878 PolarHBondContact O-N 2.93Å
879P68.8Low60.7Low96 Ų96131.7 Ų131.762%0.62371%0.713SS**PPolyproline II helixtrans-57.6157.3171.322.9-30.4000109.4P877P877-P879 WeakPolarHBondContact O-CD 3.47Å
880P62.9Low62.1Low116 Ų116126 Ų12675%0.75369%0.685SS**PPolyproline II helixtrans-47.2129.8173.5-21.229.5000108.9
881P53.3Low62.6Low101 Ų101129 Ų12966%0.65669%0.689SS**PPolyproline II helixtrans-54133.4175.3-18.928.9000108.3E883P881-E883 PolarHBondContact O-N 3.45Å
882P57.6Low63.3Low110 Ų110122.4 Ų122.471%0.71466%0.658SS**PPolyproline II helixtrans-55.1134.916722.2-29.2000108.1E884P882-E884 PolarHBondContact O-N 3.46Å
883E53.3Low63.4Low183 Ų183126.3 Ų126.386%0.85566%0.655SS**  trans-62.1105.4176.7-72.3-178159.700108.6P881 K885P881-E883 PolarHBondContact O-N 3.45Å; E883-K885 PolarHBondContact O-N 3.4Å
884E53.2Low63.5Low144 Ų144122.2 Ų122.267%0.67366%0.655SS**  trans-74.33.9175.2-70.6-173.9157.100112.9P882P882-E884 PolarHBondContact O-N 3.46Å
885K58.7Low63.4Low171 Ų171119.8 Ų119.874%0.74366%0.657SS**  trans-96.4113.5-177-65.1-173.9178.8-176.10109.8E883 E887E883-K885 PolarHBondContact O-N 3.4Å; K885-E887 PolarHBondContact O-N 3.41Å
886D64.3Low64.1Low37 Ų37118.8 Ų118.820%0.19864%0.643CS.*PPolyproline II helixtrans-54.6137.3161.4-84.3-32.6000109.3E888 S918 K928 K1065D886-E888 PolarHBondContact O-N 3.2Å; D886-S918 PolarHBondContact OD1-OG 3.24Å; D886-K928 IonicContact OD1-NZ 3.23Å; D886-K928 PolarHBondContact OD1-NZ 3.2Å; D886-K928 IonicContact OD2-NZ 3.4Å; D886-K928 PolarHBondContact OD2-NZ 2.91Å; D886-K1065 IonicContact OD2-NZ 3.1Å; D886-K1065 PolarHBondContact OD2-NZ 3.28Å
887E68.1Low64.5Low143 Ų143121 Ų12167%0.66864%0.641SS**PPolyproline II helixtrans-58123.9174.2-71-179.6157.600110.9K885 L932K885-E887 PolarHBondContact O-N 3.41Å; E887-L932 HydrophobicContact CB-CD1 3.92Å; E887-L932 WeakPolarHBondContact OE2-CD1 3.5Å
888E75.8Confident65.2Low178 Ų178115.9 Ų115.983%0.83261%0.607SS**PPolyproline II helixtrans-74.8151.6174.6-72.5-177.3172.400111.3D886D886-E888 PolarHBondContact O-N 3.2Å
889F82.9Confident66.6Low32 Ų32105.3 Ų105.314%0.1457%0.568CS.*PPolyproline II helixtrans-65.8132.5177.6-162.2-94.3000110.2E891 M903 A906 R907 H910 L932 A935F889-E891 PolarHBondContact O-N 3.39Å; F889-M903 HydrophobicContact CE1-SD 3.75Å; F889-M903 HydrophobicContact CZ-SD 3.76Å; F889-A906 HydrophobicContact CE2-CB 4.26Å; F889-A906 HydrophobicContact CZ-CB 4.02Å; F889-R907 HydrophobicContact CE1-CB 4.16Å; F889-R907 HydrophobicContact CE1-CG 4.4Å; F889-R907 HydrophobicContact CE2-CB 4.47Å; F889-R907 HydrophobicContact CZ-CB 3.93Å; F889-H910 HydrophobicContact CD2-CB 3.57Å; F889-H910 AromaticContact CD2-CD2 3.78Å; F889-H910 AromaticContact CD2-CG 3.47Å; F889-H910 VanDerWaalsContact CD2-CG 3.47Å; F889-H910 AromaticContact CD2-ND1 3.94Å; F889-H910 HydrophobicContact CE2-CB 3.88Å; F889-L932 HydrophobicContact CD2-CD2 4.18Å; F889-A935 HydrophobicContact CE1-CB 4.45Å; F889-A935 HydrophobicContact CE2-CB 4.22Å; F889-A935 HydrophobicContact CZ-CB 3.78Å
890P78.9Confident67.3Low41 Ų41104.7 Ų104.727%0.26656%0.557SS.*PPolyproline II helixtrans-67.2124.2-17325.4-34.4000111.6L932 A935P890-L932 VanDerWaalsContact CD-CD2 3.47Å; P890-L932 HydrophobicContact CG-CD2 4.47Å; P890-A935 HydrophobicContact CG-CB 4.3Å
891E66.6Low68.3Low179 Ų179101.6 Ų101.684%0.83654%0.536SS*.PPolyproline II helixtrans-67143.8175.2-67-171.2161.800111.8F889 K893F889-E891 PolarHBondContact O-N 3.39Å; E891-K893 PolarHBondContact O-N 3.43Å
892H65.9Low70Confident67 Ų6796.8 Ų96.831%0.3151%0.505SS..PPolyproline II helixtrans-76.5123.6176.2-74.6-156.7000110.4M903 R907H892-M903 VanDerWaalsContact CE1-CG 3.42Å; H892-M903 WeakPolarHBondContact CE1-CG 3.42Å; H892-M903 WeakPolarHBondContact NE2-CE 3.43Å; H892-M903 WeakPolarHBondContact NE2-CG 3.41Å; H892-M903 PolarHBondContact NE2-SD 3.21Å; H892-M903 VanDerWaalsContact NE2-SD 3.37Å; H892-R907 PolarHBondContact NE2-NH2 3.3Å
893K60.5Low71.5Confident153 Ų15391.5 Ų91.567%0.66547%0.471SS*.PPolyproline II helixtrans-77.1133.5168.6-65.1179.1-177.5173.80109.6E891 G895 E896E891-K893 PolarHBondContact O-N 3.43Å; K893-G895 PolarHBondContact O-N 3Å; K893-E896 HydrophobicContact CB-CG 4.23Å; K893-E896 PolarHBondContact O-N 2.89Å
894A54.8Low73Confident112 Ų11285.1 Ų85.193%0.92645%0.445SS*.THydrogen-bonded Turntrans-55.5122.3177.600000110.8
895G58.9Low74.7Confident83 Ų8378.5 Ų78.586%0.85641%0.414SS*.THydrogen-bonded Turntrans99.8-4.7179.900000116.3K893K893-G895 PolarHBondContact O-N 3Å
896E71Confident76.2Confident84 Ų8470.3 Ų70.339%0.39338%0.379SS..  trans-69.2131172-79.3-175.2-177.700111.9K893 V898 R939K893-E896 HydrophobicContact CB-CG 4.23Å; K893-E896 PolarHBondContact O-N 2.89Å; E896-V898 PolarHBondContact O-N 3Å; E896-R939 IonicContact OE2-NE 2.68Å; E896-R939 PolarHBondContact OE2-NE 3.37Å
897K74.6Confident77.4Confident164 Ų16472.3 Ų72.371%0.71338%0.383SS*.  trans-82.7104.4173.4-71.4-172.6178.9-1770110
898V82.9Confident78.3Confident14 Ų1467.4 Ų67.49%0.08536%0.36CS..  trans-114.1153.4176.6-66.80000112.2E896 E900 M903 R939 R942E896-V898 PolarHBondContact O-N 3Å; V898-E900 PolarHBondContact O-N 3Å; V898-M903 HydrophobicContact CG1-CE 4.4Å; V898-R939 HydrophobicContact CG1-CG 3.79Å; V898-R942 WeakPolarHBondContact O-CD 3.49Å
899N85.4Confident79.1Confident4 Ų459 Ų592%0.02132%0.321CS..  trans-75.7103.3162-171.5-72.5000109.6P901 M902 M903 S938 R942 V1028N899-P901 VanDerWaalsContact OD1-CD 3.27Å; N899-P901 WeakPolarHBondContact OD1-CD 3.48Å; N899-M902 HydrophobicContact CB-CB 4.22Å; N899-M902 HydrophobicContact CB-CG 4.32Å; N899-M902 HydrophobicContact CB-SD 4.04Å; N899-M902 PolarHBondContact O-N 3.28Å; N899-M902 WeakPolarHBondContact OD1-CG 3.46Å; N899-M902 PolarHBondContact OD1-N 3.44Å; N899-M902 VanDerWaalsContact OD1-N 3.09Å; N899-M903 PolarHBondContact O-N 2.99Å; N899-M903 VanDerWaalsContact O-N 3.1Å; N899-S938 PolarHBondContact N-O 2.69Å; N899-R942 HydrophobicContact CB-CG 4.21Å; N899-V1028 WeakPolarHBondContact ND2-CG2 3.23Å; N899-V1028 WeakPolarHBondContact OD1-CG2 3.46Å
900E83.1Confident79.6Confident82 Ų8258.1 Ų58.138%0.38332%0.317SS..Hα-helixtrans-58.4-48.7-175.1-163.463.1-151.500113V898 M902 M903 V904V898-E900 PolarHBondContact O-N 3Å; E900-M902 PolarHBondContact O-N 2.91Å; E900-M903 PolarHBondContact O-N 2.61Å; E900-V904 HydrophobicContact CG-CG2 4.49Å; E900-V904 WeakPolarHBondContact O-CG2 3.4Å; E900-V904 PolarHBondContact O-N 3.18Å
901P85.3Confident80Confident51 Ų5158.6 Ų58.633%0.33132%0.318SS..Hα-helixtrans-58.9-39.5178.5-26.935.2000115N899 A905 V1028N899-P901 VanDerWaalsContact OD1-CD 3.27Å; N899-P901 WeakPolarHBondContact OD1-CD 3.48Å; P901-A905 PolarHBondContact O-N 3.23Å; P901-A905 VanDerWaalsContact O-N 3.12Å; P901-V1028 HydrophobicContact CB-CG1 3.59Å; P901-V1028 HydrophobicContact CG-CG1 4.31Å
902M88.6Confident81.1Confident0 Ų050.6 Ų50.60%028%0.281CS..Hα-helixtrans-67.8-39.9177.1-72.3175.97200112N899 E900 A905 A906 M934 M937 V941 V1028 A1031N899-M902 HydrophobicContact CB-CB 4.22Å; N899-M902 HydrophobicContact CB-CG 4.32Å; N899-M902 HydrophobicContact CB-SD 4.04Å; N899-M902 PolarHBondContact O-N 3.28Å; N899-M902 WeakPolarHBondContact OD1-CG 3.46Å; N899-M902 PolarHBondContact OD1-N 3.44Å; N899-M902 VanDerWaalsContact OD1-N 3.09Å; E900-M902 PolarHBondContact O-N 2.91Å; M902-A905 WeakPolarHBondContact O-CB 3.42Å; M902-A905 PolarHBondContact O-N 2.82Å; M902-A906 PolarHBondContact O-N 3.37Å; M902-M934 HydrophobicContact CE-SD 3.8Å; M902-M937 HydrophobicContact CE-CB 3.9Å; M902-M937 HydrophobicContact CE-CG 3.54Å; M902-M937 HydrophobicContact CE-SD 3.65Å; M902-V941 HydrophobicContact CE-CG2 4.27Å; M902-V941 HydrophobicContact SD-CB 4.48Å; M902-V941 HydrophobicContact SD-CG2 4.15Å; M902-V1028 HydrophobicContact CG-CB 4.21Å; M902-V1028 HydrophobicContact CG-CG1 4.22Å; M902-V1028 HydrophobicContact CG-CG2 3.82Å; M902-V1028 HydrophobicContact SD-CG2 3.84Å; M902-A1031 HydrophobicContact CE-CB 4.07Å; M902-A1031 HydrophobicContact CG-CB 4.19Å
903M88.4Confident82.4Confident0 Ų047.4 Ų47.40%027%0.266CS..Hα-helixtrans-66-41.3178.2-179.26078.600112F889 H892 V898 N899 E900 A905 A906 R907 A935 S938F889-M903 HydrophobicContact CE1-SD 3.75Å; F889-M903 HydrophobicContact CZ-SD 3.76Å; H892-M903 VanDerWaalsContact CE1-CG 3.42Å; H892-M903 WeakPolarHBondContact CE1-CG 3.42Å; H892-M903 WeakPolarHBondContact NE2-CE 3.43Å; H892-M903 WeakPolarHBondContact NE2-CG 3.41Å; H892-M903 PolarHBondContact NE2-SD 3.21Å; H892-M903 VanDerWaalsContact NE2-SD 3.37Å; V898-M903 HydrophobicContact CG1-CE 4.4Å; N899-M903 PolarHBondContact O-N 2.99Å; N899-M903 VanDerWaalsContact O-N 3.1Å; E900-M903 PolarHBondContact O-N 2.61Å; M903-A905 VanDerWaalsContact C-N 3.29Å; M903-A905 PolarHBondContact O-N 3.12Å; M903-A906 WeakPolarHBondContact O-CB 3.35Å; M903-A906 PolarHBondContact O-N 3.31Å; M903-R907 WeakPolarHBondContact O-CB 3.36Å; M903-R907 PolarHBondContact O-N 3.11Å; M903-A935 HydrophobicContact CE-CB 3.85Å; M903-A935 HydrophobicContact SD-CB 3.68Å; M903-S938 WeakPolarHBondContact CE-OG 3.39Å
904V85.2Confident83.7Confident49 Ų4946.8 Ų46.830%0.29726%0.259SS..Hα-helixtrans-59.4-43.1173.7168.70000110.5E900 R907 Q908E900-V904 HydrophobicContact CG-CG2 4.49Å; E900-V904 WeakPolarHBondContact O-CG2 3.4Å; E900-V904 PolarHBondContact O-N 3.18Å; V904-R907 PolarHBondContact O-N 3.37Å; V904-Q908 WeakPolarHBondContact O-CB 3.46Å; V904-Q908 WeakPolarHBondContact O-CG 3.39Å; V904-Q908 PolarHBondContact O-N 3.36Å
905A88.3Confident85.4Confident4 Ų445.3 Ų45.33%0.03323%0.232CC..Hα-helixtrans-63.2-43.1176.300000112.6P901 M902 M903 Q908 L909 Q1032 M1035P901-A905 PolarHBondContact O-N 3.23Å; P901-A905 VanDerWaalsContact O-N 3.12Å; M902-A905 WeakPolarHBondContact O-CB 3.42Å; M902-A905 PolarHBondContact O-N 2.82Å; M903-A905 VanDerWaalsContact C-N 3.29Å; M903-A905 PolarHBondContact O-N 3.12Å; A905-Q908 PolarHBondContact O-N 3.08Å; A905-L909 PolarHBondContact O-N 3.2Å; A905-Q1032 HydrophobicContact CB-CG 4.05Å; A905-M1035 HydrophobicContact CB-CB 4.04Å; A905-M1035 HydrophobicContact CB-CG 3.89Å
906A91.8Very high86.8Confident0 Ų042 Ų420%019%0.193CC..Hα-helixtrans-58.2-50.4174.600000111.6F889 M902 M903 Q908 L909 H910 A931 M934 A935F889-A906 HydrophobicContact CE2-CB 4.26Å; F889-A906 HydrophobicContact CZ-CB 4.02Å; M902-A906 PolarHBondContact O-N 3.37Å; M903-A906 WeakPolarHBondContact O-CB 3.35Å; M903-A906 PolarHBondContact O-N 3.31Å; A906-Q908 VanDerWaalsContact C-N 3.32Å; A906-Q908 PolarHBondContact O-N 3.25Å; A906-L909 PolarHBondContact O-N 3.24Å; A906-H910 PolarHBondContact O-N 3.22Å; A906-A931 WeakPolarHBondContact CB-O 3.44Å; A906-A931 WeakPolarHBondContact O-CB 3.44Å; A906-M934 HydrophobicContact CB-CB 3.8Å; A906-M934 HydrophobicContact CB-CG 3.95Å; A906-A935 HydrophobicContact CB-CB 4.08Å
907R88.1Confident87.6Confident78 Ų7838 Ų3829%0.29418%0.175SC..Hα-helixtrans-60.4-41178.8-170174.7-64.2160.95111.8F889 H892 M903 V904 L909 H910 D911F889-R907 HydrophobicContact CE1-CB 4.16Å; F889-R907 HydrophobicContact CE1-CG 4.4Å; F889-R907 HydrophobicContact CE2-CB 4.47Å; F889-R907 HydrophobicContact CZ-CB 3.93Å; H892-R907 PolarHBondContact NE2-NH2 3.3Å; M903-R907 WeakPolarHBondContact O-CB 3.36Å; M903-R907 PolarHBondContact O-N 3.11Å; V904-R907 PolarHBondContact O-N 3.37Å; R907-L909 PolarHBondContact O-N 2.68Å; R907-H910 WeakPolarHBondContact O-CB 3.17Å; R907-H910 PolarHBondContact O-N 3.44Å; R907-D911 WeakPolarHBondContact O-CB 3.23Å; R907-D911 VanDerWaalsContact O-CG 3.28Å; R907-D911 PolarHBondContact O-N 3.42Å
908Q87.6Confident88.2Confident40 Ų4031.8 Ų31.819%0.18715%0.152CC..Hα-helixtrans-63.5-36.7178.7-76.4171.116.900114.1R505 V904 A905 A906 E912 K1039R505-Q908 VanDerWaalsContact CZ-NE2 3.3Å; R505-Q908 VanDerWaalsContact NH1-CD 3.35Å; R505-Q908 VanDerWaalsContact NH2-CD 3.34Å; V904-Q908 WeakPolarHBondContact O-CB 3.46Å; V904-Q908 WeakPolarHBondContact O-CG 3.39Å; V904-Q908 PolarHBondContact O-N 3.36Å; A905-Q908 PolarHBondContact O-N 3.08Å; A906-Q908 VanDerWaalsContact C-N 3.32Å; A906-Q908 PolarHBondContact O-N 3.25Å; Q908-E912 PolarHBondContact O-N 3.26Å; Q908-K1039 PolarHBondContact O-NZ 3.45Å
909L93.2Very high88.2Confident1 Ų135.6 Ų35.61%0.00517%0.168CC..Hα-helixtrans-70-45.3173.5175.660.5000110.3A905 A906 R907 D911 E912 A913 A927 M930 A931 M1035 V1038 K1039A905-L909 PolarHBondContact O-N 3.2Å; A906-L909 PolarHBondContact O-N 3.24Å; R907-L909 PolarHBondContact O-N 2.68Å; L909-D911 VanDerWaalsContact C-N 3.34Å; L909-D911 PolarHBondContact O-N 2.9Å; L909-E912 PolarHBondContact O-N 3.21Å; L909-A913 PolarHBondContact O-N 3.07Å; L909-A927 HydrophobicContact CD1-CB 4.19Å; L909-A927 WeakPolarHBondContact CD2-O 3.26Å; L909-M930 HydrophobicContact CD2-CB 3.99Å; L909-A931 HydrophobicContact CB-CB 4.2Å; L909-A931 HydrophobicContact CD2-CB 4.2Å; L909-A931 HydrophobicContact CG-CB 4.17Å; L909-M1035 HydrophobicContact CB-CB 4.32Å; L909-M1035 HydrophobicContact CB-SD 4.18Å; L909-M1035 HydrophobicContact CD2-CE 4.06Å; L909-M1035 HydrophobicContact CD2-SD 3.49Å; L909-M1035 WeakPolarHBondContact CD2-SD 3.42Å; L909-M1035 HydrophobicContact CG-SD 4.48Å; L909-V1038 HydrophobicContact CD1-CB 4.12Å; L909-V1038 HydrophobicContact CD1-CG1 3.7Å; L909-V1038 HydrophobicContact CD2-CB 4.31Å; L909-V1038 HydrophobicContact CD2-CG1 3.99Å; L909-K1039 HydrophobicContact CD1-CB 4.01Å
910H92.3Very high88.1Confident14 Ų1437.6 Ų37.67%0.06519%0.189CC..Hα-helixtrans-57.8-45.9177.2-179.2-91.3000111.8F889 A906 R907 E912 A913 R914 A931F889-H910 HydrophobicContact CD2-CB 3.57Å; F889-H910 AromaticContact CD2-CD2 3.78Å; F889-H910 AromaticContact CD2-CG 3.47Å; F889-H910 VanDerWaalsContact CD2-CG 3.47Å; F889-H910 AromaticContact CD2-ND1 3.94Å; F889-H910 HydrophobicContact CE2-CB 3.88Å; A906-H910 PolarHBondContact O-N 3.22Å; R907-H910 WeakPolarHBondContact O-CB 3.17Å; R907-H910 PolarHBondContact O-N 3.44Å; H910-E912 PolarHBondContact O-N 2.83Å; H910-A913 PolarHBondContact O-N 3.44Å; H910-R914 VanDerWaalsContact O-CB 3.25Å; H910-R914 WeakPolarHBondContact O-CB 3.38Å; H910-R914 WeakPolarHBondContact O-CG 3.43Å; H910-R914 PolarHBondContact O-N 3.02Å; H910-A931 HydrophobicContact CB-CB 3.74Å
911D88.1Confident88.4Confident52 Ų5233.7 Ų33.728%0.27817%0.171SC..Hα-helixtrans-64.5-26.9-179.8-72-25.1000113.5R907 L909 R914 K915R907-D911 WeakPolarHBondContact O-CB 3.23Å; R907-D911 VanDerWaalsContact O-CG 3.28Å; R907-D911 PolarHBondContact O-N 3.42Å; L909-D911 VanDerWaalsContact C-N 3.34Å; L909-D911 PolarHBondContact O-N 2.9Å; D911-R914 IonicContact OD1-CZ 2.71Å; D911-R914 IonicContact OD1-NE 3.37Å; D911-R914 IonicContact OD1-NH1 3.47Å; D911-R914 PolarHBondContact OD1-NH1 3.08Å; D911-K915 WeakPolarHBondContact O-CE 3.22Å; D911-K915 WeakPolarHBondContact O-CG 3.45Å
912E90.1Very high88.7Confident11 Ų1135.2 Ų35.25%0.05118%0.176CC..Hα-helixtrans-77.1-47.5171.1-164.264.1-133.900111.4Q908 L909 H910 R914 K915 K1039 R1043Q908-E912 PolarHBondContact O-N 3.26Å; L909-E912 PolarHBondContact O-N 3.21Å; H910-E912 PolarHBondContact O-N 2.83Å; E912-R914 PolarHBondContact O-N 3.01Å; E912-K915 WeakPolarHBondContact O-CB 3.32Å; E912-K915 PolarHBondContact O-N 3.09Å; E912-K915 IonicContact OE1-NZ 3.8Å; E912-K915 PolarHBondContact OE1-NZ 3.49Å; E912-K915 IonicContact OE2-NZ 3.13Å; E912-K915 PolarHBondContact OE2-NZ 3.41Å; E912-K1039 HydrophobicContact CB-CD 4.28Å; E912-K1039 HydrophobicContact CB-CG 3.91Å; E912-K1039 HydrophobicContact CG-CG 3.91Å; E912-K1039 WeakPolarHBondContact OE2-CE 3.33Å; E912-K1039 IonicContact OE2-NZ 2.78Å; E912-R1043 VanDerWaalsContact CD-NE 3.33Å; E912-R1043 HydrophobicContact CG-CG 4.33Å; E912-R1043 IonicContact OE1-NE 3.77Å; E912-R1043 PolarHBondContact OE1-NE 3.02Å; E912-R1043 IonicContact OE2-CZ 3.73Å; E912-R1043 IonicContact OE2-NE 3.46Å; E912-R1043 PolarHBondContact OE2-NE 3.3Å; E912-R1043 IonicContact OE2-NH2 2.75Å; E912-R1043 PolarHBondContact OE2-NH2 3.47Å
913A91.5Very high89Confident0 Ų035.2 Ų35.20%018%0.176CC..Hα-helixtrans-67.9-33.3-177.400000112.6L909 H910 K915 W916 I924 A927 K928L909-A913 PolarHBondContact O-N 3.07Å; H910-A913 PolarHBondContact O-N 3.44Å; A913-K915 PolarHBondContact O-N 3.17Å; A913-W916 PolarHBondContact O-N 3.22Å; A913-W916 VanDerWaalsContact O-N 3.15Å; A913-I924 WeakPolarHBondContact O-CG2 3.31Å; A913-A927 HydrophobicContact CB-CB 3.94Å; A913-K928 HydrophobicContact CB-CG 3.83Å; A913-K928 WeakPolarHBondContact O-CE 3.32Å
914R89.3Confident89.3Confident139 Ų13935.2 Ų35.253%0.52518%0.176SC..THydrogen-bonded Turntrans-67.1-17.2-179.480.8179.4-151.1-170.217113.7H910 D911 E912 W916H910-R914 VanDerWaalsContact O-CB 3.25Å; H910-R914 WeakPolarHBondContact O-CB 3.38Å; H910-R914 WeakPolarHBondContact O-CG 3.43Å; H910-R914 PolarHBondContact O-N 3.02Å; D911-R914 IonicContact OD1-CZ 2.71Å; D911-R914 IonicContact OD1-NE 3.37Å; D911-R914 IonicContact OD1-NH1 3.47Å; D911-R914 PolarHBondContact OD1-NH1 3.08Å; E912-R914 PolarHBondContact O-N 3.01Å; R914-W916 PolarHBondContact O-N 3.46Å
915K88.9Confident89.7Confident81 Ų8133.3 Ų33.335%0.35217%0.167SC..THydrogen-bonded Turntrans-65.9-17.6175.1-59.6174.8-171.9169.20112.1D911 E912 A913 R1064 K1065D911-K915 WeakPolarHBondContact O-CE 3.22Å; D911-K915 WeakPolarHBondContact O-CG 3.45Å; E912-K915 WeakPolarHBondContact O-CB 3.32Å; E912-K915 PolarHBondContact O-N 3.09Å; E912-K915 IonicContact OE1-NZ 3.8Å; E912-K915 PolarHBondContact OE1-NZ 3.49Å; E912-K915 IonicContact OE2-NZ 3.13Å; E912-K915 PolarHBondContact OE2-NZ 3.41Å; A913-K915 PolarHBondContact O-N 3.17Å; K915-R1064 WeakPolarHBondContact O-CA 3.32Å; K915-R1064 WeakPolarHBondContact O-CD 3.27Å; K915-K1065 PolarHBondContact O-N 3.44Å
916W89.6Confident90Very high13 Ų1333.1 Ų33.15%0.04917%0.165CC..BIsolated β-bridgetrans-119.8146.6-172.3-52.3102.9000111A913 R914 I924 K928 E1046 W1062 V1063 R1064A913-W916 PolarHBondContact O-N 3.22Å; A913-W916 VanDerWaalsContact O-N 3.15Å; R914-W916 PolarHBondContact O-N 3.46Å; W916-I924 HydrophobicContact CB-CD1 3.76Å; W916-I924 HydrophobicContact CB-CG1 3.78Å; W916-I924 HydrophobicContact CB-CG2 4.19Å; W916-I924 HydrophobicContact CG-CD1 3.9Å; W916-I924 HydrophobicContact CG-CG1 4.36Å; W916-K928 PolarHBondContact O-NZ 3.17Å; W916-E1046 HydrophobicContact CH2-CG 3.59Å; W916-E1046 WeakPolarHBondContact CH2-OE1 3.49Å; W916-E1046 HydrophobicContact CZ2-CB 4.46Å; W916-E1046 HydrophobicContact CZ2-CG 3.69Å; W916-E1046 HydrophobicContact CZ3-CG 4.35Å; W916-W1062 AromaticContact CD2-CE3 3.79Å; W916-W1062 HydrophobicContact CD2-CE3 3.79Å; W916-W1062 HydrophobicContact CD2-CZ3 4.17Å; W916-W1062 HydrophobicContact CE3-CB 4.42Å; W916-W1062 AromaticContact CE3-CE3 3.92Å; W916-W1062 HydrophobicContact CE3-CE3 3.92Å; W916-W1062 HydrophobicContact CG-CE3 4.2Å; W916-W1062 HydrophobicContact CG-CZ3 4.23Å; W916-W1062 HydrophobicContact CH2-CE3 4.47Å; W916-W1062 HydrophobicContact CZ2-CE3 4.36Å; W916-W1062 HydrophobicContact CZ3-CB 4.2Å; W916-W1062 HydrophobicContact CZ3-CE3 4.26Å; W916-V1063 WeakPolarHBondContact CA-O 3.43Å; W916-R1064 HydrophobicContact CE3-CG 4.48Å; W916-R1064 VanDerWaalsContact CZ2-NH1 3.25Å; W916-R1064 HydrophobicContact CZ3-CG 4.15Å
917S87.1Confident90.2Very high1 Ų133.1 Ų33.11%0.00717%0.165CC..  trans-68.8140.3168.9-171.90000110.1K919 V1063S917-K919 VanDerWaalsContact C-N 3.3Å; S917-K919 PolarHBondContact OG-N 3.27Å; S917-V1063 PolarHBondContact N-O 2.87Å
918S86.6Confident90.4Very high33 Ų3330.2 Ų30.223%0.23116%0.155CC..  trans-78-17.3172.651.10000112D886 G920 N921D886-S918 PolarHBondContact OD1-OG 3.24Å; S918-G920 PolarHBondContact O-N 2.92Å; S918-N921 PolarHBondContact O-N 3.03Å; S918-N921 VanDerWaalsContact O-N 3.08Å
919K83.7Confident90.8Very high95 Ų9533.2 Ų33.241%0.41317%0.165SC..THydrogen-bonded Turntrans-66.7115.2-177.8-68.7172.8177.7153.60110.6S917 N921 Q1070S917-K919 VanDerWaalsContact C-N 3.3Å; S917-K919 PolarHBondContact OG-N 3.27Å; K919-N921 VanDerWaalsContact C-N 3.25Å; K919-N921 PolarHBondContact O-N 3.24Å; K919-Q1070 WeakPolarHBondContact CE-O 3.41Å; K919-Q1070 PolarHBondContact NZ-O 3.34Å
920G82.9Confident90.9Very high46 Ų4633.2 Ų33.247%0.47416%0.164SC..THydrogen-bonded Turntrans72.716.5-176.900000113.9S918 H1061S918-G920 PolarHBondContact O-N 2.92Å; G920-H1061 PolarHBondContact O-N 2.83Å
921N89.9Confident91Very high0 Ų032.5 Ų32.50%016%0.161CC..  trans-140.186.4178.8-164.7-28.8000112.1S918 K919 I923 I924 G925 H1061S918-N921 PolarHBondContact O-N 3.03Å; S918-N921 VanDerWaalsContact O-N 3.08Å; K919-N921 VanDerWaalsContact C-N 3.25Å; K919-N921 PolarHBondContact O-N 3.24Å; N921-I923 PolarHBondContact O-N 3.36Å; N921-I923 WeakPolarHBondContact OD1-CB 3.44Å; N921-I923 PolarHBondContact OD1-N 2.96Å; N921-I924 HydrophobicContact CB-CB 4.29Å; N921-I924 HydrophobicContact CB-CG1 4.22Å; N921-I924 PolarHBondContact O-N 2.96Å; N921-I924 VanDerWaalsContact O-N 3.13Å; N921-I924 PolarHBondContact OD1-N 2.6Å; N921-G925 PolarHBondContact O-N 2.8Å; N921-H1061 WeakPolarHBondContact CB-O 3.48Å; N921-H1061 PolarHBondContact ND2-O 3.34Å
922D92.6Very high91.3Very high82 Ų8231.5 Ų31.544%0.43916%0.155SC..Hα-helixtrans-66.8-22.7-178.6-65-29.3000113.1G925 A926 L968D922-G925 PolarHBondContact O-N 2.9Å; D922-A926 VanDerWaalsContact O-CB 3.27Å; D922-A926 WeakPolarHBondContact O-CB 3.12Å; D922-A926 PolarHBondContact O-N 2.88Å; D922-L968 HydrophobicContact CB-CD1 3.5Å; D922-L968 VanDerWaalsContact CB-CD1 3.5Å
923I94.5Very high91.5Very high0 Ų032.5 Ų32.50%016%0.161CC..Hα-helixtrans-62.3-47.1172-66.4-176.2000109.5N921 A926 A927 L968 V972 V1042 A1045 L1060N921-I923 PolarHBondContact O-N 3.36Å; N921-I923 WeakPolarHBondContact OD1-CB 3.44Å; N921-I923 PolarHBondContact OD1-N 2.96Å; I923-A926 PolarHBondContact O-N 3.47Å; I923-A927 VanDerWaalsContact O-CB 3.28Å; I923-A927 WeakPolarHBondContact O-CB 3.19Å; I923-A927 PolarHBondContact O-N 3.2Å; I923-L968 HydrophobicContact CD1-CB 3.82Å; I923-L968 HydrophobicContact CG1-CB 3.47Å; I923-L968 VanDerWaalsContact CG1-CB 3.47Å; I923-L968 HydrophobicContact CG1-CD1 3.81Å; I923-L968 HydrophobicContact CG1-CG 4.28Å; I923-V972 HydrophobicContact CD1-CG2 4.37Å; I923-V1042 HydrophobicContact CG2-CG2 3.93Å; I923-A1045 HydrophobicContact CD1-CB 4.01Å; I923-L1060 HydrophobicContact CB-CD1 4.36Å; I923-L1060 HydrophobicContact CD1-CD1 3.3Å; I923-L1060 HydrophobicContact CG1-CD1 3.63Å
924I94.4Very high91.7Very high0 Ų032.5 Ų32.50%016%0.161CC..Hα-helixtrans-67.2-42.4178.1-63.9-60.6000110.9A913 W916 N921 A926 A927 K928 V1042 W1062A913-I924 WeakPolarHBondContact O-CG2 3.31Å; W916-I924 HydrophobicContact CB-CD1 3.76Å; W916-I924 HydrophobicContact CB-CG1 3.78Å; W916-I924 HydrophobicContact CB-CG2 4.19Å; W916-I924 HydrophobicContact CG-CD1 3.9Å; W916-I924 HydrophobicContact CG-CG1 4.36Å; N921-I924 HydrophobicContact CB-CB 4.29Å; N921-I924 HydrophobicContact CB-CG1 4.22Å; N921-I924 PolarHBondContact O-N 2.96Å; N921-I924 VanDerWaalsContact O-N 3.13Å; N921-I924 PolarHBondContact OD1-N 2.6Å; I924-A926 PolarHBondContact O-N 3.3Å; I924-A927 PolarHBondContact O-N 3.28Å; I924-K928 HydrophobicContact CG2-CD 4.18Å; I924-K928 HydrophobicContact CG2-CG 4.47Å; I924-K928 WeakPolarHBondContact O-CG 3.44Å; I924-K928 PolarHBondContact O-N 3.48Å; I924-V1042 HydrophobicContact CD1-CG1 3.59Å; I924-W1062 HydrophobicContact CD1-CH2 4.31Å; I924-W1062 HydrophobicContact CD1-CZ3 3.87Å; I924-W1062 HydrophobicContact CG1-CZ3 4.19Å
925G92.4Very high91.8Very high10 Ų1025.9 Ų25.910%0.10314%0.136CC..Hα-helixtrans-56.7-49.3174.700000112.3N921 D922 K928 R929N921-G925 PolarHBondContact O-N 2.8Å; D922-G925 PolarHBondContact O-N 2.9Å; G925-K928 PolarHBondContact O-N 2.87Å; G925-R929 WeakPolarHBondContact O-CG 3.34Å; G925-R929 PolarHBondContact O-N 3.19Å; G925-R929 VanDerWaalsContact O-N 3.13Å
926A94.9Very high91.8Very high0 Ų026 Ų260%014%0.138CC..Hα-helixtrans-64.9-42.9177.400000112.3D922 I923 I924 K928 R929 M930 E964 V965D922-A926 VanDerWaalsContact O-CB 3.27Å; D922-A926 WeakPolarHBondContact O-CB 3.12Å; D922-A926 PolarHBondContact O-N 2.88Å; I923-A926 PolarHBondContact O-N 3.47Å; I924-A926 PolarHBondContact O-N 3.3Å; A926-K928 PolarHBondContact O-N 3.47Å; A926-R929 PolarHBondContact O-N 2.85Å; A926-M930 VanDerWaalsContact O-CG 3.29Å; A926-M930 WeakPolarHBondContact O-CG 3.48Å; A926-M930 PolarHBondContact O-N 2.99Å; A926-E964 HydrophobicContact CB-CB 4.48Å; A926-E964 HydrophobicContact CB-CG 4.41Å; A926-V965 HydrophobicContact CB-CG2 3.62Å
927A95.9Very high91.9Very high0 Ų025.4 Ų25.40%014%0.136CC..Hα-helixtrans-61.1-42.3177.400000112.8L909 A913 I923 I924 M930 A931 V1038 V1042L909-A927 HydrophobicContact CD1-CB 4.19Å; L909-A927 WeakPolarHBondContact CD2-O 3.26Å; A913-A927 HydrophobicContact CB-CB 3.94Å; I923-A927 VanDerWaalsContact O-CB 3.28Å; I923-A927 WeakPolarHBondContact O-CB 3.19Å; I923-A927 PolarHBondContact O-N 3.2Å; I924-A927 PolarHBondContact O-N 3.28Å; A927-M930 PolarHBondContact O-N 3.41Å; A927-A931 PolarHBondContact O-N 3.41Å; A927-V1038 HydrophobicContact CB-CG1 4.18Å; A927-V1042 HydrophobicContact CB-CG2 4.04Å
928K93.3Very high92Very high17 Ų1725.3 Ų25.37%0.07414%0.135CC..Hα-helixtrans-60.9-48.9174-73.7176.3-178.8168.80110.9D886 A913 W916 I924 G925 A926 M930 A931 L932D886-K928 IonicContact OD1-NZ 3.23Å; D886-K928 PolarHBondContact OD1-NZ 3.2Å; D886-K928 IonicContact OD2-NZ 3.4Å; D886-K928 PolarHBondContact OD2-NZ 2.91Å; A913-K928 HydrophobicContact CB-CG 3.83Å; A913-K928 WeakPolarHBondContact O-CE 3.32Å; W916-K928 PolarHBondContact O-NZ 3.17Å; I924-K928 HydrophobicContact CG2-CD 4.18Å; I924-K928 HydrophobicContact CG2-CG 4.47Å; I924-K928 WeakPolarHBondContact O-CG 3.44Å; I924-K928 PolarHBondContact O-N 3.48Å; G925-K928 PolarHBondContact O-N 2.87Å; A926-K928 PolarHBondContact O-N 3.47Å; K928-M930 PolarHBondContact O-N 3.41Å; K928-A931 WeakPolarHBondContact O-CB 3.42Å; K928-A931 PolarHBondContact O-N 2.89Å; K928-L932 WeakPolarHBondContact O-CG 3.33Å; K928-L932 PolarHBondContact O-N 2.93Å; K928-L932 VanDerWaalsContact O-N 3.12Å
929R94.7Very high92.1Very high103 Ų10327 Ų2739%0.38914%0.136SC..Hα-helixtrans-57.3-45.9176.1-71.1-172.4-63.2-94.18.5112.3G925 A926 A931 L932 L933 E964G925-R929 WeakPolarHBondContact O-CG 3.34Å; G925-R929 PolarHBondContact O-N 3.19Å; G925-R929 VanDerWaalsContact O-N 3.13Å; A926-R929 PolarHBondContact O-N 2.85Å; R929-A931 VanDerWaalsContact C-N 3.32Å; R929-A931 PolarHBondContact O-N 2.95Å; R929-L932 PolarHBondContact O-N 3.39Å; R929-L933 VanDerWaalsContact O-CG 3.31Å; R929-L933 WeakPolarHBondContact O-CG 3.44Å; R929-L933 PolarHBondContact O-N 3.34Å; R929-E964 IonicContact CZ-OE2 2.65Å; R929-E964 IonicContact NH2-OE1 3.74Å; R929-E964 IonicContact NH2-OE2 2.86Å; R929-E964 PolarHBondContact NH2-OE2 3.43Å
930M96.4Very high92.2Very high0 Ų023.7 Ų23.70%012%0.123CC..Hα-helixtrans-59.8-41.3178.1-73.5-17972.900112.3L909 A926 A927 K928 M934 I958 A961 S962 V965 L1034 M1035 V1038L909-M930 HydrophobicContact CD2-CB 3.99Å; A926-M930 VanDerWaalsContact O-CG 3.29Å; A926-M930 WeakPolarHBondContact O-CG 3.48Å; A926-M930 PolarHBondContact O-N 2.99Å; A927-M930 PolarHBondContact O-N 3.41Å; K928-M930 PolarHBondContact O-N 3.41Å; M930-M934 WeakPolarHBondContact O-CB 3.4Å; M930-M934 PolarHBondContact O-N 3.47Å; M930-I958 HydrophobicContact CE-CG2 4.02Å; M930-A961 HydrophobicContact CG-CB 3.49Å; M930-A961 VanDerWaalsContact CG-CB 3.49Å; M930-A961 HydrophobicContact SD-CB 4.24Å; M930-S962 VanDerWaalsContact CE-CB 3.44Å; M930-V965 HydrophobicContact SD-CG2 4.14Å; M930-L1034 HydrophobicContact CE-CD1 4.26Å; M930-L1034 HydrophobicContact CE-CD2 4Å; M930-L1034 HydrophobicContact CE-CG 4Å; M930-M1035 HydrophobicContact CB-CE 4.42Å; M930-M1035 HydrophobicContact CE-CE 3.91Å; M930-V1038 HydrophobicContact CE-CG2 3.57Å; M930-V1038 HydrophobicContact SD-CG1 4.16Å; M930-V1038 HydrophobicContact SD-CG2 3.97Å
931A94.5Very high92.2Very high0 Ų021.8 Ų21.80%010%0.102CC..Hα-helixtrans-63.8-43.9177.500000112.1A906 L909 H910 A927 K928 R929 M934 A935A906-A931 WeakPolarHBondContact CB-O 3.44Å; A906-A931 WeakPolarHBondContact O-CB 3.44Å; L909-A931 HydrophobicContact CB-CB 4.2Å; L909-A931 HydrophobicContact CD2-CB 4.2Å; L909-A931 HydrophobicContact CG-CB 4.17Å; H910-A931 HydrophobicContact CB-CB 3.74Å; A927-A931 PolarHBondContact O-N 3.41Å; K928-A931 WeakPolarHBondContact O-CB 3.42Å; K928-A931 PolarHBondContact O-N 2.89Å; R929-A931 VanDerWaalsContact C-N 3.32Å; R929-A931 PolarHBondContact O-N 2.95Å; A931-M934 PolarHBondContact O-N 3.18Å; A931-A935 PolarHBondContact O-N 2.95Å
932L93.6Very high91.5Very high30 Ų3028.7 Ų28.716%0.15713%0.128CC..Hα-helixtrans-64.3-45177.8-63.6174.1000111.8E887 F889 P890 K928 R929 M934 A935 E936E887-L932 HydrophobicContact CB-CD1 3.92Å; E887-L932 WeakPolarHBondContact OE2-CD1 3.5Å; F889-L932 HydrophobicContact CD2-CD2 4.18Å; P890-L932 VanDerWaalsContact CD-CD2 3.47Å; P890-L932 HydrophobicContact CG-CD2 4.47Å; K928-L932 WeakPolarHBondContact O-CG 3.33Å; K928-L932 PolarHBondContact O-N 2.93Å; K928-L932 VanDerWaalsContact O-N 3.12Å; R929-L932 PolarHBondContact O-N 3.39Å; L932-M934 VanDerWaalsContact C-N 3.31Å; L932-M934 PolarHBondContact O-N 3.27Å; L932-A935 WeakPolarHBondContact O-CB 3.34Å; L932-A935 PolarHBondContact O-N 3.39Å; L932-E936 PolarHBondContact O-N 3.03Å
933L94.9Very high89.9Confident33 Ų3325.9 Ų25.917%0.17312%0.119CC..Hα-helixtrans-62.4-38.4175.1-69.1166.3000111.6R929 A935 E936 M937 C954 D957 I958R929-L933 VanDerWaalsContact O-CG 3.31Å; R929-L933 WeakPolarHBondContact O-CG 3.44Å; R929-L933 PolarHBondContact O-N 3.34Å; L933-A935 VanDerWaalsContact C-N 3.33Å; L933-A935 PolarHBondContact O-N 3.32Å; L933-E936 WeakPolarHBondContact O-CB 3.33Å; L933-E936 PolarHBondContact O-N 3.17Å; L933-E936 VanDerWaalsContact O-N 3.15Å; L933-M937 PolarHBondContact O-N 3.27Å; L933-C954 PolarHBondContact O-SG 3Å; L933-D957 HydrophobicContact CD1-CB 3.78Å; L933-D957 HydrophobicContact CD2-CB 4.11Å; L933-I958 HydrophobicContact CB-CD1 4.02Å; L933-I958 HydrophobicContact CB-CG1 3.47Å; L933-I958 VanDerWaalsContact CB-CG1 3.47Å; L933-I958 HydrophobicContact CD1-CG1 4.08Å; L933-I958 HydrophobicContact CG-CG1 4.41Å
934M94.8Very high87.8Confident0 Ų030.1 Ų30.10%016%0.163CC..Hα-helixtrans-67.2-34.9177-169.560.675.100112.3M902 A906 M930 A931 L932 E936 M937 S938 I958 L999 A1031 L1034 M1035M902-M934 HydrophobicContact CE-SD 3.8Å; A906-M934 HydrophobicContact CB-CB 3.8Å; A906-M934 HydrophobicContact CB-CG 3.95Å; M930-M934 WeakPolarHBondContact O-CB 3.4Å; M930-M934 PolarHBondContact O-N 3.47Å; A931-M934 PolarHBondContact O-N 3.18Å; L932-M934 VanDerWaalsContact C-N 3.31Å; L932-M934 PolarHBondContact O-N 3.27Å; M934-E936 VanDerWaalsContact C-N 3.31Å; M934-M937 PolarHBondContact O-N 2.99Å; M934-M937 HydrophobicContact SD-CB 4.29Å; M934-M937 HydrophobicContact SD-SD 4.18Å; M934-S938 PolarHBondContact O-N 2.85Å; M934-I958 HydrophobicContact CE-CD1 3.95Å; M934-I958 HydrophobicContact CE-CG2 4.47Å; M934-I958 HydrophobicContact SD-CD1 4.31Å; M934-L999 HydrophobicContact CE-CD2 4.38Å; M934-A1031 HydrophobicContact CE-CB 3.7Å; M934-A1031 HydrophobicContact SD-CB 3.61Å; M934-L1034 HydrophobicContact CE-CD2 4.43Å; M934-M1035 HydrophobicContact CB-CE 4.4Å; M934-M1035 HydrophobicContact CB-SD 3.76Å; M934-M1035 HydrophobicContact CE-CE 3.53Å; M934-M1035 HydrophobicContact CE-CG 4.26Å; M934-M1035 HydrophobicContact CE-SD 4.11Å; M934-M1035 HydrophobicContact CG-CE 4.49Å; M934-M1035 HydrophobicContact CG-CG 4.03Å; M934-M1035 HydrophobicContact CG-SD 3.85Å
935A91.2Very high85.8Confident0 Ų035.6 Ų35.60%020%0.201CC..Hα-helixtrans-67.2-31.3171.300000112.5F889 P890 M903 A906 A931 L932 L933 S938F889-A935 HydrophobicContact CE1-CB 4.45Å; F889-A935 HydrophobicContact CE2-CB 4.22Å; F889-A935 HydrophobicContact CZ-CB 3.78Å; P890-A935 HydrophobicContact CG-CB 4.3Å; M903-A935 HydrophobicContact CE-CB 3.85Å; M903-A935 HydrophobicContact SD-CB 3.68Å; A906-A935 HydrophobicContact CB-CB 4.08Å; A931-A935 PolarHBondContact O-N 2.95Å; L932-A935 WeakPolarHBondContact O-CB 3.34Å; L932-A935 PolarHBondContact O-N 3.39Å; L933-A935 VanDerWaalsContact C-N 3.33Å; L933-A935 PolarHBondContact O-N 3.32Å; A935-S938 PolarHBondContact O-OG 2.91Å
936E90.5Very high84.2Confident83 Ų8335.8 Ų35.839%0.38820%0.203SC..Hα-helixtrans-67.8-46.3169.3-170.6-17917500111.1L932 L933 M934 S938 R939 L940L932-E936 PolarHBondContact O-N 3.03Å; L933-E936 WeakPolarHBondContact O-CB 3.33Å; L933-E936 PolarHBondContact O-N 3.17Å; L933-E936 VanDerWaalsContact O-N 3.15Å; M934-E936 VanDerWaalsContact C-N 3.31Å; E936-S938 VanDerWaalsContact C-N 3.27Å; E936-S938 PolarHBondContact O-N 3.41Å; E936-R939 WeakPolarHBondContact O-CB 3.47Å; E936-R939 PolarHBondContact O-N 2.94Å; E936-L940 HydrophobicContact CG-CD1 4.12Å; E936-L940 WeakPolarHBondContact O-CG 3.33Å; E936-L940 PolarHBondContact O-N 2.97Å; E936-L940 VanDerWaalsContact O-N 3.15Å
937M90.9Very high83.5Confident0 Ų038.5 Ų38.50%022%0.218CC..Hα-helixtrans-57.1-39.6177.6-163.9176.8-84.300112.3M902 L933 M934 R939 L940 V941 L951 C954 A955 I958 L999 L1027M902-M937 HydrophobicContact CE-CB 3.9Å; M902-M937 HydrophobicContact CE-CG 3.54Å; M902-M937 HydrophobicContact CE-SD 3.65Å; L933-M937 PolarHBondContact O-N 3.27Å; M934-M937 PolarHBondContact O-N 2.99Å; M934-M937 HydrophobicContact SD-CB 4.29Å; M934-M937 HydrophobicContact SD-SD 4.18Å; M937-R939 PolarHBondContact O-N 3.45Å; M937-L940 PolarHBondContact O-N 3.36Å; M937-L940 VanDerWaalsContact O-N 3.1Å; M937-V941 HydrophobicContact CG-CG2 4.19Å; M937-V941 VanDerWaalsContact O-CG2 3.26Å; M937-V941 WeakPolarHBondContact O-CG2 3.47Å; M937-V941 PolarHBondContact O-N 3.39Å; M937-V941 VanDerWaalsContact O-N 3.09Å; M937-L951 HydrophobicContact CE-CD1 4.38Å; M937-L951 HydrophobicContact CG-CD1 3.73Å; M937-L951 HydrophobicContact SD-CD1 4.44Å; M937-C954 HydrophobicContact CE-CB 4.41Å; M937-A955 HydrophobicContact CE-CB 3.59Å; M937-I958 HydrophobicContact CE-CD1 3.71Å; M937-I958 HydrophobicContact SD-CD1 4.39Å; M937-L999 HydrophobicContact CE-CD2 4.31Å; M937-L999 HydrophobicContact CE-CG 4.47Å; M937-L999 HydrophobicContact SD-CD1 4.15Å; M937-L1027 HydrophobicContact SD-CD1 4.49Å
938S89.8Confident83.1Confident0 Ų038.9 Ų38.90%022%0.22CC..Hα-helixtrans-62.2-29.1178.772.60000113.2N899 M903 M934 A935 E936N899-S938 PolarHBondContact N-O 2.69Å; M903-S938 WeakPolarHBondContact CE-OG 3.39Å; M934-S938 PolarHBondContact O-N 2.85Å; A935-S938 PolarHBondContact O-OG 2.91Å; E936-S938 VanDerWaalsContact C-N 3.27Å; E936-S938 PolarHBondContact O-N 3.41Å
939R87.3Confident82.9Confident68 Ų6841.7 Ų41.726%0.25723%0.23SC..Hα-helixtrans-74.5-43.8172-64179.9-171.1106.65.1111.1E896 V898 E936 M937 V941 G943E896-R939 IonicContact OE2-NE 2.68Å; E896-R939 PolarHBondContact OE2-NE 3.37Å; V898-R939 HydrophobicContact CG1-CG 3.79Å; E936-R939 WeakPolarHBondContact O-CB 3.47Å; E936-R939 PolarHBondContact O-N 2.94Å; M937-R939 PolarHBondContact O-N 3.45Å; R939-V941 VanDerWaalsContact C-N 3.26Å; R939-V941 PolarHBondContact O-N 3.38Å; R939-G943 PolarHBondContact O-N 2.99Å
940L87.1Confident82.7Confident25 Ų2537.8 Ų37.813%0.13122%0.219CC..Hα-helixtrans-64.8-27.3-176.2-65.7172.1000113.3E936 M937 A950 L951 C954E936-L940 HydrophobicContact CG-CD1 4.12Å; E936-L940 WeakPolarHBondContact O-CG 3.33Å; E936-L940 PolarHBondContact O-N 2.97Å; E936-L940 VanDerWaalsContact O-N 3.15Å; M937-L940 PolarHBondContact O-N 3.36Å; M937-L940 VanDerWaalsContact O-N 3.1Å; L940-A950 HydrophobicContact CD1-CB 4Å; L940-A950 HydrophobicContact CD2-CB 3.86Å; L940-L951 HydrophobicContact CB-CB 4.43Å; L940-L951 HydrophobicContact CB-CD1 4.16Å; L940-C954 HydrophobicContact CD1-CB 4.12Å
941V82.8Confident82.5Confident7 Ų737.8 Ų37.84%0.04222%0.219CC..Hα-helixtrans-79.2-28.8-176172.30000114M902 M937 R939 L951 T1024 L1027M902-V941 HydrophobicContact CE-CG2 4.27Å; M902-V941 HydrophobicContact SD-CB 4.48Å; M902-V941 HydrophobicContact SD-CG2 4.15Å; M937-V941 HydrophobicContact CG-CG2 4.19Å; M937-V941 VanDerWaalsContact O-CG2 3.26Å; M937-V941 WeakPolarHBondContact O-CG2 3.47Å; M937-V941 PolarHBondContact O-N 3.39Å; M937-V941 VanDerWaalsContact O-N 3.09Å; R939-V941 VanDerWaalsContact C-N 3.26Å; R939-V941 PolarHBondContact O-N 3.38Å; V941-L951 HydrophobicContact CG2-CD1 4.04Å; V941-T1024 HydrophobicContact CG1-CG2 3.51Å; V941-L1027 HydrophobicContact CG2-CD2 3.68Å
942R74.7Confident82.3Confident144 Ų14437.9 Ų37.954%0.54322%0.22SC..Hα-helixtrans-108.9-9.1-179.5-73.3-155.6-173.9-165.5-4114.9V898 N899V898-R942 WeakPolarHBondContact O-CD 3.49Å; N899-R942 HydrophobicContact CB-CG 4.21Å
943G58.9Low82.3Confident24 Ų2440.5 Ų40.525%0.24723%0.231CC..  trans-69.8127.7-178.600000113.3R939 S945 G946R939-G943 PolarHBondContact O-N 2.99Å; G943-S945 PolarHBondContact O-N 3.2Å; G943-S945 VanDerWaalsContact O-N 3.15Å; G943-G946 PolarHBondContact O-N 3.3Å; G943-G946 VanDerWaalsContact O-N 3.09Å
944G50.2Low82.3Confident89 Ų8939 Ų3992%0.91822%0.224SC*.THydrogen-bonded Turntrans-66.5-6.4174.500000115
945S54.1Low82.3Confident114 Ų11439.1 Ų39.180%0.79722%0.224SC*.THydrogen-bonded Turntrans-106.329.7170.673.30000112.1G943 N947G943-S945 PolarHBondContact O-N 3.2Å; G943-S945 VanDerWaalsContact O-N 3.15Å; S945-N947 PolarHBondContact O-N 2.94Å
946G58.9Low82.5Confident15 Ų1542 Ų4216%0.15524%0.237CC..  trans-47.299-167.500000113.9G943 K948G943-G946 PolarHBondContact O-N 3.3Å; G943-G946 VanDerWaalsContact O-N 3.09Å; G946-K948 PolarHBondContact O-N 3.43Å
947N79.5Confident82.8Confident57 Ų5741 Ų4131%0.30523%0.234SC..  trans-70.195.7178.3-178.2-21.3000108.4E28 S945 R949 A950 L951E28-N947 WeakPolarHBondContact OE1-CA 3.18Å; S945-N947 PolarHBondContact O-N 2.94Å; N947-R949 PolarHBondContact O-N 3.32Å; N947-R949 WeakPolarHBondContact OD1-CB 3.38Å; N947-R949 PolarHBondContact OD1-N 3.32Å; N947-A950 HydrophobicContact CB-CB 3.84Å; N947-A950 VanDerWaalsContact CG-CB 3.47Å; N947-A950 PolarHBondContact O-N 3.27Å; N947-A950 VanDerWaalsContact O-N 3.08Å; N947-A950 PolarHBondContact OD1-N 3.19Å; N947-L951 PolarHBondContact O-N 3.32Å
948K87.5Confident83Confident8 Ų841 Ų414%0.03523%0.234CC..Hα-helixtrans-56.7-38.9-175-58.6-179.3-166.786.60110.8V24 E28 E31 G946 L951 I952 A1007 L1010V24-K948 HydrophobicContact CG1-CB 4.14Å; V24-K948 HydrophobicContact CG1-CD 4.22Å; E28-K948 HydrophobicContact CB-CB 4.3Å; E28-K948 HydrophobicContact CG-CB 4.16Å; E28-K948 PolarHBondContact OE1-N 2.85Å; E28-K948 WeakPolarHBondContact OE2-CD 3.4Å; E28-K948 WeakPolarHBondContact OE2-CE 3.27Å; E28-K948 VanDerWaalsContact OE2-CG 3.22Å; E28-K948 WeakPolarHBondContact OE2-CG 3.46Å; E28-K948 IonicContact OE2-NZ 2.65Å; E28-K948 PolarHBondContact OE2-NZ 2.71Å; E31-K948 IonicContact OE2-NZ 2.6Å; E31-K948 PolarHBondContact OE2-NZ 2.77Å; G946-K948 PolarHBondContact O-N 3.43Å; K948-L951 PolarHBondContact O-N 2.79Å; K948-I952 WeakPolarHBondContact O-CG1 3.41Å; K948-I952 PolarHBondContact O-N 2.74Å; K948-A1007 HydrophobicContact CB-CB 4.21Å; K948-A1007 VanDerWaalsContact CD-O 3.27Å; K948-A1007 WeakPolarHBondContact CD-O 3.38Å; K948-A1007 WeakPolarHBondContact CG-O 3.36Å; K948-L1010 WeakPolarHBondContact CE-O 3.3Å; K948-L1010 HydrophobicContact CG-CB 4.35Å; K948-L1010 HydrophobicContact CG-CD1 4.5Å
949R89.1Confident83.3Confident76 Ų7641.2 Ų41.229%0.28724%0.236SC..Hα-helixtrans-62.9-47.5176.9177.8177.669.2-165.5-6.7111.5I25 E28 E29 D33 N947 L951 I952 Q953I25-R949 HydrophobicContact CG1-CG 4.39Å; I25-R949 HydrophobicContact CG2-CG 3.99Å; E28-R949 HydrophobicContact CB-CB 4.4Å; E28-R949 HydrophobicContact CG-CB 4.18Å; E29-R949 IonicContact OE1-NH1 2.73Å; E29-R949 PolarHBondContact OE1-NH1 3.36Å; D33-R949 IonicContact OD1-NH2 2.79Å; D33-R949 IonicContact OD2-NH1 3.54Å; D33-R949 PolarHBondContact OD2-NH1 2.93Å; D33-R949 IonicContact OD2-NH2 2.72Å; N947-R949 PolarHBondContact O-N 3.32Å; N947-R949 WeakPolarHBondContact OD1-CB 3.38Å; N947-R949 PolarHBondContact OD1-N 3.32Å; R949-L951 VanDerWaalsContact C-N 3.35Å; R949-L951 PolarHBondContact O-N 3.28Å; R949-I952 PolarHBondContact O-N 3.37Å; R949-Q953 WeakPolarHBondContact O-CB 3.36Å; R949-Q953 PolarHBondContact O-N 2.9Å
950A90Very high83.7Confident20 Ų2045.4 Ų45.417%0.16526%0.256CS..Hα-helixtrans-63.2-39.7178.700000112L940 N947 I952 Q953 C954L940-A950 HydrophobicContact CD1-CB 4Å; L940-A950 HydrophobicContact CD2-CB 3.86Å; N947-A950 HydrophobicContact CB-CB 3.84Å; N947-A950 VanDerWaalsContact CG-CB 3.47Å; N947-A950 PolarHBondContact O-N 3.27Å; N947-A950 VanDerWaalsContact O-N 3.08Å; N947-A950 PolarHBondContact OD1-N 3.19Å; A950-I952 PolarHBondContact O-N 3.44Å; A950-Q953 PolarHBondContact O-N 3.17Å; A950-C954 WeakPolarHBondContact O-CB 3.43Å; A950-C954 PolarHBondContact O-N 2.94Å
951L91.4Very high84.2Confident0 Ų044.6 Ų44.60%025%0.252CS..Hα-helixtrans-61.9-45.3177.9179.860.4000112M937 L940 V941 N947 K948 R949 A955 K1006 A1007 L1010M937-L951 HydrophobicContact CE-CD1 4.38Å; M937-L951 HydrophobicContact CG-CD1 3.73Å; M937-L951 HydrophobicContact SD-CD1 4.44Å; L940-L951 HydrophobicContact CB-CB 4.43Å; L940-L951 HydrophobicContact CB-CD1 4.16Å; V941-L951 HydrophobicContact CG2-CD1 4.04Å; N947-L951 PolarHBondContact O-N 3.32Å; K948-L951 PolarHBondContact O-N 2.79Å; R949-L951 VanDerWaalsContact C-N 3.35Å; R949-L951 PolarHBondContact O-N 3.28Å; L951-A955 PolarHBondContact O-N 2.93Å; L951-A955 VanDerWaalsContact O-N 3.15Å; L951-K1006 HydrophobicContact CD2-CB 4.24Å; L951-K1006 HydrophobicContact CD2-CG 4.08Å; L951-A1007 HydrophobicContact CD2-CB 4.35Å; L951-L1010 HydrophobicContact CD2-CD1 3.91Å
952I92.1Very high84.8Confident2 Ų244.2 Ų44.21%0.0125%0.25CS..Hα-helixtrans-65.8-43177.9-67.2167.6000110.7V24 I25 K948 R949 A950 A955 K956 A1007V24-I952 HydrophobicContact CB-CD1 4.04Å; V24-I952 HydrophobicContact CG1-CD1 3.83Å; I25-I952 HydrophobicContact CD1-CG2 4.02Å; I25-I952 HydrophobicContact CG1-CD1 4.09Å; K948-I952 WeakPolarHBondContact O-CG1 3.41Å; K948-I952 PolarHBondContact O-N 2.74Å; R949-I952 PolarHBondContact O-N 3.37Å; A950-I952 PolarHBondContact O-N 3.44Å; I952-A955 PolarHBondContact O-N 3.34Å; I952-K956 HydrophobicContact CG2-CD 4.35Å; I952-K956 WeakPolarHBondContact O-CG 3.48Å; I952-K956 PolarHBondContact O-N 3.06Å; I952-K956 VanDerWaalsContact O-N 3.1Å; I952-A1007 HydrophobicContact CD1-CB 3.92Å; I952-A1007 HydrophobicContact CG1-CB 3.93Å
953Q93.6Very high85.8Confident85 Ų8541.5 Ų41.540%0.39725%0.247SC..Hα-helixtrans-65.2-45.9-179.8-173.85446.900111.4R949 A950 A955 K956 D957R949-Q953 WeakPolarHBondContact O-CB 3.36Å; R949-Q953 PolarHBondContact O-N 2.9Å; A950-Q953 PolarHBondContact O-N 3.17Å; Q953-A955 VanDerWaalsContact C-N 3.3Å; Q953-A955 PolarHBondContact O-N 3.36Å; Q953-K956 WeakPolarHBondContact O-CA 3.42Å; Q953-K956 WeakPolarHBondContact O-CB 3.34Å; Q953-K956 PolarHBondContact O-N 3.21Å; Q953-D957 VanDerWaalsContact NE2-CG 3.28Å; Q953-D957 PolarHBondContact NE2-OD1 3.26Å; Q953-D957 PolarHBondContact NE2-OD2 3.42Å; Q953-D957 PolarHBondContact O-N 3.15Å
954C94.4Very high87.6Confident3 Ų343 Ų432%0.0225%0.247CC..Hα-helixtrans-56.1-43.8175.8176.20000111.9L933 M937 L940 A950 K956 D957 I958L933-C954 PolarHBondContact O-SG 3Å; M937-C954 HydrophobicContact CE-CB 4.41Å; L940-C954 HydrophobicContact CD1-CB 4.12Å; A950-C954 WeakPolarHBondContact O-CB 3.43Å; A950-C954 PolarHBondContact O-N 2.94Å; C954-K956 PolarHBondContact O-N 3.35Å; C954-D957 PolarHBondContact O-N 3.23Å; C954-I958 VanDerWaalsContact O-CG1 3.29Å; C954-I958 WeakPolarHBondContact O-CG1 3.4Å; C954-I958 PolarHBondContact O-N 2.98Å
955A95.3Very high89.8Confident1 Ų138.8 Ų38.81%0.00820%0.204CC..Hα-helixtrans-63.3-38.7175.200000113.2M937 L951 I952 Q953 A959 S1003M937-A955 HydrophobicContact CE-CB 3.59Å; L951-A955 PolarHBondContact O-N 2.93Å; L951-A955 VanDerWaalsContact O-N 3.15Å; I952-A955 PolarHBondContact O-N 3.34Å; Q953-A955 VanDerWaalsContact C-N 3.3Å; Q953-A955 PolarHBondContact O-N 3.36Å; A955-A959 WeakPolarHBondContact O-CB 3.36Å; A955-A959 PolarHBondContact O-N 2.9Å; A955-S1003 WeakPolarHBondContact CB-OG 3.37Å
956K94.5Very high91.8Very high62 Ų6233.8 Ų33.827%0.2717%0.168SC..Hα-helixtrans-64.6-40.2175.6-73176.7178.8179.90111.9I952 Q953 C954 A959 K960I952-K956 HydrophobicContact CG2-CD 4.35Å; I952-K956 WeakPolarHBondContact O-CG 3.48Å; I952-K956 PolarHBondContact O-N 3.06Å; I952-K956 VanDerWaalsContact O-N 3.1Å; Q953-K956 WeakPolarHBondContact O-CA 3.42Å; Q953-K956 WeakPolarHBondContact O-CB 3.34Å; Q953-K956 PolarHBondContact O-N 3.21Å; C954-K956 PolarHBondContact O-N 3.35Å; K956-A959 PolarHBondContact O-N 3.45Å; K956-K960 PolarHBondContact O-N 3.47Å
957D96.3Very high93.6Very high60 Ų6039.9 Ų39.932%0.32119%0.187SC..Hα-helixtrans-71.1-39.6179.9-65.6-34.8000111.8L933 Q953 C954 A959 K960 A961L933-D957 HydrophobicContact CD1-CB 3.78Å; L933-D957 HydrophobicContact CD2-CB 4.11Å; Q953-D957 VanDerWaalsContact NE2-CG 3.28Å; Q953-D957 PolarHBondContact NE2-OD1 3.26Å; Q953-D957 PolarHBondContact NE2-OD2 3.42Å; Q953-D957 PolarHBondContact O-N 3.15Å; C954-D957 PolarHBondContact O-N 3.23Å; D957-A959 VanDerWaalsContact C-N 3.3Å; D957-A959 PolarHBondContact O-N 3.18Å; D957-K960 PolarHBondContact O-N 2.93Å; D957-A961 PolarHBondContact O-N 3.28Å
958I96.6Very high94.3Very high0 Ų037.2 Ų37.20%017%0.172CC..Hα-helixtrans-59.3-45170.4-68.5167.9000110.1M930 L933 M934 M937 C954 K960 A961 S962 L999 L1034M930-I958 HydrophobicContact CE-CG2 4.02Å; L933-I958 HydrophobicContact CB-CD1 4.02Å; L933-I958 HydrophobicContact CB-CG1 3.47Å; L933-I958 VanDerWaalsContact CB-CG1 3.47Å; L933-I958 HydrophobicContact CD1-CG1 4.08Å; L933-I958 HydrophobicContact CG-CG1 4.41Å; M934-I958 HydrophobicContact CE-CD1 3.95Å; M934-I958 HydrophobicContact CE-CG2 4.47Å; M934-I958 HydrophobicContact SD-CD1 4.31Å; M937-I958 HydrophobicContact CE-CD1 3.71Å; M937-I958 HydrophobicContact SD-CD1 4.39Å; C954-I958 VanDerWaalsContact O-CG1 3.29Å; C954-I958 WeakPolarHBondContact O-CG1 3.4Å; C954-I958 PolarHBondContact O-N 2.98Å; I958-K960 PolarHBondContact O-N 3.36Å; I958-A961 PolarHBondContact O-N 3.25Å; I958-S962 WeakPolarHBondContact O-CB 3.42Å; I958-S962 PolarHBondContact O-N 3.47Å; I958-S962 PolarHBondContact O-OG 3.44Å; I958-L999 HydrophobicContact CB-CD2 4.1Å; I958-L999 HydrophobicContact CD1-CD2 4.22Å; I958-L999 HydrophobicContact CG2-CD2 3.61Å; I958-L1034 HydrophobicContact CG2-CD2 3.52Å
959A95.4Very high94.7Very high5 Ų536.8 Ų36.84%0.04117%0.171CC..Hα-helixtrans-60.7-48-179.700000111.5A955 K956 D957 A961 S962 D963 S996 K1000A955-A959 WeakPolarHBondContact O-CB 3.36Å; A955-A959 PolarHBondContact O-N 2.9Å; K956-A959 PolarHBondContact O-N 3.45Å; D957-A959 VanDerWaalsContact C-N 3.3Å; D957-A959 PolarHBondContact O-N 3.18Å; A959-A961 PolarHBondContact O-N 3.37Å; A959-S962 PolarHBondContact O-N 3.35Å; A959-S962 VanDerWaalsContact O-N 3.1Å; A959-S962 PolarHBondContact O-OG 3.44Å; A959-D963 PolarHBondContact O-N 3Å; A959-S996 WeakPolarHBondContact CA-OG 3.4Å; A959-S996 WeakPolarHBondContact CB-OG 3.48Å; A959-K1000 HydrophobicContact CB-CD 3.88Å; A959-K1000 HydrophobicContact CB-CG 4.02Å
960K95.8Very high95Very high157 Ų15737.2 Ų37.268%0.68317%0.174SC*.Hα-helixtrans-59.5-43177.9-174.7179.8178.9-176.30112.8K956 D957 I958 S962 E964K956-K960 PolarHBondContact O-N 3.47Å; D957-K960 PolarHBondContact O-N 2.93Å; I958-K960 PolarHBondContact O-N 3.36Å; K960-S962 VanDerWaalsContact C-N 3.33Å; K960-E964 PolarHBondContact O-N 2.86Å
961A96.4Very high95.2Very high7 Ų739.2 Ų39.26%0.05818%0.18CC..Hα-helixtrans-68-33.8176.300000112.1M930 D957 I958 A959 E964 V965M930-A961 HydrophobicContact CG-CB 3.49Å; M930-A961 VanDerWaalsContact CG-CB 3.49Å; M930-A961 HydrophobicContact SD-CB 4.24Å; D957-A961 PolarHBondContact O-N 3.28Å; I958-A961 PolarHBondContact O-N 3.25Å; A959-A961 PolarHBondContact O-N 3.37Å; A961-E964 WeakPolarHBondContact O-CB 3.38Å; A961-E964 PolarHBondContact O-N 3Å; A961-V965 PolarHBondContact O-N 3.04Å; A961-V965 VanDerWaalsContact O-N 3.14Å
962S96.7Very high95.2Very high0 Ų039.4 Ų39.40%018%0.182CC..Hα-helixtrans-70.6-32.9177.778.20000113.3M930 I958 A959 K960 E964 V965 T966 S996M930-S962 VanDerWaalsContact CE-CB 3.44Å; I958-S962 WeakPolarHBondContact O-CB 3.42Å; I958-S962 PolarHBondContact O-N 3.47Å; I958-S962 PolarHBondContact O-OG 3.44Å; A959-S962 PolarHBondContact O-N 3.35Å; A959-S962 VanDerWaalsContact O-N 3.1Å; A959-S962 PolarHBondContact O-OG 3.44Å; K960-S962 VanDerWaalsContact C-N 3.33Å; S962-E964 VanDerWaalsContact C-N 3.31Å; S962-V965 PolarHBondContact O-N 2.85Å; S962-T966 PolarHBondContact O-N 3.38Å; S962-T966 PolarHBondContact O-OG1 3.31Å; S962-S996 WeakPolarHBondContact OG-CB 3.4Å; S962-S996 PolarHBondContact OG-OG 3.13Å; S962-S996 VanDerWaalsContact OG-OG 3.13Å
963D95.9Very high95.3Very high87 Ų8739.4 Ų39.447%0.46518%0.182SC..Hα-helixtrans-63-38.9171.2-70.2-24.5000111.4A959 T966 R967A959-D963 PolarHBondContact O-N 3Å; D963-T966 PolarHBondContact O-N 3.04Å; D963-R967 WeakPolarHBondContact O-CB 3.49Å; D963-R967 PolarHBondContact O-N 3.02Å
964E95.7Very high95.2Very high55 Ų5542.3 Ų42.326%0.25719%0.193SC..Hα-helixtrans-63.5-47.7175.9-174.4177.8-166.500111.7A926 R929 K960 A961 S962 T966 R967 L968A926-E964 HydrophobicContact CB-CB 4.48Å; A926-E964 HydrophobicContact CB-CG 4.41Å; R929-E964 IonicContact CZ-OE2 2.65Å; R929-E964 IonicContact NH2-OE1 3.74Å; R929-E964 IonicContact NH2-OE2 2.86Å; R929-E964 PolarHBondContact NH2-OE2 3.43Å; K960-E964 PolarHBondContact O-N 2.86Å; A961-E964 WeakPolarHBondContact O-CB 3.38Å; A961-E964 PolarHBondContact O-N 3Å; S962-E964 VanDerWaalsContact C-N 3.31Å; E964-T966 VanDerWaalsContact C-N 3.33Å; E964-T966 PolarHBondContact O-N 3.49Å; E964-R967 PolarHBondContact O-N 3.39Å; E964-L968 HydrophobicContact CG-CD1 3.94Å; E964-L968 WeakPolarHBondContact O-CD1 3.43Å; E964-L968 VanDerWaalsContact O-CG 3.29Å; E964-L968 WeakPolarHBondContact O-CG 3.5Å; E964-L968 PolarHBondContact O-N 3.02Å
965V96.7Very high95Very high0 Ų043 Ų430%020%0.196CC..Hα-helixtrans-55.9-49173.7172.30000110.6A926 M930 A961 S962 R967 L968 A969 I992 V1038 T1041A926-V965 HydrophobicContact CB-CG2 3.62Å; M930-V965 HydrophobicContact SD-CG2 4.14Å; A961-V965 PolarHBondContact O-N 3.04Å; A961-V965 VanDerWaalsContact O-N 3.14Å; S962-V965 PolarHBondContact O-N 2.85Å; V965-R967 PolarHBondContact O-N 2.9Å; V965-L968 PolarHBondContact O-N 3.49Å; V965-A969 WeakPolarHBondContact O-CB 3.3Å; V965-A969 PolarHBondContact O-N 3.08Å; V965-I992 HydrophobicContact CG1-CD1 4.16Å; V965-V1038 HydrophobicContact CG1-CG1 4.32Å; V965-V1038 HydrophobicContact CG2-CG1 4.35Å; V965-T1041 HydrophobicContact CG1-CG2 3.9Å
966T96.6Very high94.8Very high9 Ų943 Ų436%0.05520%0.196CC..Hα-helixtrans-61.7-45.1-177.7-55.60000111.5S962 D963 E964 K970 I992 P993S962-T966 PolarHBondContact O-N 3.38Å; S962-T966 PolarHBondContact O-OG1 3.31Å; D963-T966 PolarHBondContact O-N 3.04Å; E964-T966 VanDerWaalsContact C-N 3.33Å; E964-T966 PolarHBondContact O-N 3.49Å; T966-K970 HydrophobicContact CG2-CD 4.43Å; T966-K970 WeakPolarHBondContact O-CG 3.32Å; T966-K970 PolarHBondContact O-N 3.08Å; T966-I992 WeakPolarHBondContact OG1-CB 3.5Å; T966-I992 WeakPolarHBondContact OG1-CG2 3.29Å; T966-P993 HydrophobicContact CG2-CG 3.92Å
967R96.3Very high94.7Very high143 Ų14340.5 Ų40.554%0.5419%0.186SC..Hα-helixtrans-60.4-47.7179-176.3-170.863.876.5-1.9111.5D963 E964 V965 E971D963-R967 WeakPolarHBondContact O-CB 3.49Å; D963-R967 PolarHBondContact O-N 3.02Å; E964-R967 PolarHBondContact O-N 3.39Å; V965-R967 PolarHBondContact O-N 2.9Å; R967-E971 PolarHBondContact O-N 3.13Å
968L95.1Very high94.5Very high1 Ų138.7 Ų38.71%0.00518%0.176CC..Hα-helixtrans-68.7-42.5-178.7-67.8166000111.6D922 I923 E964 V965 K970 E971 V972 F1058D922-L968 HydrophobicContact CB-CD1 3.5Å; D922-L968 VanDerWaalsContact CB-CD1 3.5Å; I923-L968 HydrophobicContact CD1-CB 3.82Å; I923-L968 HydrophobicContact CG1-CB 3.47Å; I923-L968 VanDerWaalsContact CG1-CB 3.47Å; I923-L968 HydrophobicContact CG1-CD1 3.81Å; I923-L968 HydrophobicContact CG1-CG 4.28Å; E964-L968 HydrophobicContact CG-CD1 3.94Å; E964-L968 WeakPolarHBondContact O-CD1 3.43Å; E964-L968 VanDerWaalsContact O-CG 3.29Å; E964-L968 WeakPolarHBondContact O-CG 3.5Å; E964-L968 PolarHBondContact O-N 3.02Å; V965-L968 PolarHBondContact O-N 3.49Å; L968-K970 VanDerWaalsContact C-N 3.32Å; L968-K970 PolarHBondContact O-N 3.42Å; L968-E971 PolarHBondContact O-N 3.46Å; L968-E971 VanDerWaalsContact O-N 3.1Å; L968-V972 WeakPolarHBondContact O-CG2 3.39Å; L968-V972 PolarHBondContact O-N 3.33Å; L968-F1058 HydrophobicContact CD2-CE2 4.36Å; L968-F1058 HydrophobicContact CD2-CZ 3.73Å
969A95.5Very high94.3Very high0 Ų042.3 Ų42.30%019%0.192CC..Hα-helixtrans-59.3-41.6176.200000112.1V965 E971 V972 A973 L985 C989 T1041V965-A969 WeakPolarHBondContact O-CB 3.3Å; V965-A969 PolarHBondContact O-N 3.08Å; A969-E971 VanDerWaalsContact C-N 3.3Å; A969-E971 PolarHBondContact O-N 3.35Å; A969-V972 PolarHBondContact O-N 3.21Å; A969-A973 WeakPolarHBondContact O-CB 3.39Å; A969-A973 PolarHBondContact O-N 3.4Å; A969-L985 HydrophobicContact CB-CD1 4.14Å; A969-C989 HydrophobicContact CB-CB 3.93Å; A969-T1041 HydrophobicContact CB-CG2 3.45Å; A969-T1041 VanDerWaalsContact CB-CG2 3.45Å
970K95.3Very high94Very high84 Ų8445.2 Ų45.237%0.36520%0.202SC..Hα-helixtrans-63.2-35174.7-76-174.4173.3-163.40112.8T966 L968 K974 L986 E990T966-K970 HydrophobicContact CG2-CD 4.43Å; T966-K970 WeakPolarHBondContact O-CG 3.32Å; T966-K970 PolarHBondContact O-N 3.08Å; L968-K970 VanDerWaalsContact C-N 3.32Å; L968-K970 PolarHBondContact O-N 3.42Å; K970-K974 WeakPolarHBondContact O-CB 3.49Å; K970-K974 PolarHBondContact O-N 3.24Å; K970-L986 HydrophobicContact CG-CD2 4.1Å; K970-E990 IonicContact NZ-OE1 3.72Å; K970-E990 PolarHBondContact NZ-OE1 3.03Å
971E92.9Very high93.7Very high62 Ų6239.4 Ų39.429%0.2918%0.178SC..Hα-helixtrans-71.3-40.7176.2-169.755.3-142.500111.8R967 L968 A969 K974 Q975 F1058R967-E971 PolarHBondContact O-N 3.13Å; L968-E971 PolarHBondContact O-N 3.46Å; L968-E971 VanDerWaalsContact O-N 3.1Å; A969-E971 VanDerWaalsContact C-N 3.3Å; A969-E971 PolarHBondContact O-N 3.35Å; E971-K974 WeakPolarHBondContact O-CB 3.38Å; E971-K974 PolarHBondContact O-N 3.01Å; E971-K974 IonicContact OE2-NZ 2.7Å; E971-Q975 WeakPolarHBondContact O-CG 3.18Å; E971-Q975 PolarHBondContact O-N 3.43Å; E971-Q975 PolarHBondContact OE1-NE2 3.33Å; E971-F1058 HydrophobicContact CB-CE1 4.32Å; E971-F1058 HydrophobicContact CG-CD1 3.79Å; E971-F1058 HydrophobicContact CG-CE1 4.04Å; E971-F1058 HydrophobicContact CG-CG 4.29Å
972V92.9Very high93.6Very high5 Ų541.4 Ų41.43%0.0318%0.184CC..Hα-helixtrans-59.4-47.3171.4174.80000110.7I923 L968 A969 K974 Q975 C976 L985 A1045 A1048 F1058 L1060I923-V972 HydrophobicContact CD1-CG2 4.37Å; L968-V972 WeakPolarHBondContact O-CG2 3.39Å; L968-V972 PolarHBondContact O-N 3.33Å; A969-V972 PolarHBondContact O-N 3.21Å; V972-K974 VanDerWaalsContact C-N 3.29Å; V972-K974 PolarHBondContact O-N 3.15Å; V972-Q975 PolarHBondContact O-N 3.4Å; V972-Q975 VanDerWaalsContact O-N 3.12Å; V972-C976 PolarHBondContact O-N 2.82Å; V972-C976 VanDerWaalsContact O-N 3.12Å; V972-L985 HydrophobicContact CB-CD2 4.27Å; V972-L985 HydrophobicContact CG1-CD2 4.05Å; V972-A1045 HydrophobicContact CG1-CB 4.41Å; V972-A1048 HydrophobicContact CG1-CB 3.69Å; V972-F1058 HydrophobicContact CG2-CE1 4.48Å; V972-L1060 HydrophobicContact CG2-CD1 3.72Å; V972-L1060 HydrophobicContact CG2-CG 4.48Å
973A93.4Very high93.3Very high1 Ų144.5 Ų44.51%0.00820%0.203CC..Hα-helixtrans-57.8-4217800000111.8A969 Q975 C976 R982 L985 L986A969-A973 WeakPolarHBondContact O-CB 3.39Å; A969-A973 PolarHBondContact O-N 3.4Å; A973-Q975 PolarHBondContact O-N 3.43Å; A973-C976 WeakPolarHBondContact O-CB 3.08Å; A973-C976 PolarHBondContact O-N 3.3Å; A973-R982 HydrophobicContact CB-CG 4.23Å; A973-R982 WeakPolarHBondContact O-CD 3.33Å; A973-R982 VanDerWaalsContact O-CG 3.24Å; A973-R982 WeakPolarHBondContact O-CG 3.47Å; A973-L985 HydrophobicContact CB-CB 4.49Å; A973-L985 HydrophobicContact CB-CD2 3.76Å; A973-L985 HydrophobicContact CB-CG 4.1Å; A973-L986 HydrophobicContact CB-CD2 3.91Å; A973-L986 HydrophobicContact CB-CG 3.95Å
974K91.9Very high93Very high147 Ų14741.5 Ų41.564%0.63919%0.187SC*.Hα-helixtrans-61.9-28.9179.4-176.2-178.1173.4-166.70113.3K970 E971 V972K970-K974 WeakPolarHBondContact O-CB 3.49Å; K970-K974 PolarHBondContact O-N 3.24Å; E971-K974 WeakPolarHBondContact O-CB 3.38Å; E971-K974 PolarHBondContact O-N 3.01Å; E971-K974 IonicContact OE2-NZ 2.7Å; V972-K974 VanDerWaalsContact C-N 3.29Å; V972-K974 PolarHBondContact O-N 3.15Å
975Q89.9Confident92.9Very high18 Ų1838.9 Ų38.98%0.08417%0.174CC..Hα-helixtrans-96-12.6-177.6-62.7176.725.300113.7E971 V972 A973 T977 I1052 R1053 F1058E971-Q975 WeakPolarHBondContact O-CG 3.18Å; E971-Q975 PolarHBondContact O-N 3.43Å; E971-Q975 PolarHBondContact OE1-NE2 3.33Å; V972-Q975 PolarHBondContact O-N 3.4Å; V972-Q975 VanDerWaalsContact O-N 3.12Å; A973-Q975 PolarHBondContact O-N 3.43Å; Q975-T977 PolarHBondContact O-N 3.1Å; Q975-I1052 HydrophobicContact CB-CG2 4.24Å; Q975-R1053 PolarHBondContact O-N 3.07Å; Q975-R1053 VanDerWaalsContact O-N 3.12Å; Q975-F1058 PolarHBondContact OE1-O 3.2Å
976C91.8Very high92.7Very high0 Ų041.4 Ų41.40%019%0.187CC..BIsolated β-bridgetrans-65.6124.4174.9-176.20000110.7V972 A973 D978 R982 A1048 K1051V972-C976 PolarHBondContact O-N 2.82Å; V972-C976 VanDerWaalsContact O-N 3.12Å; A973-C976 WeakPolarHBondContact O-CB 3.08Å; A973-C976 PolarHBondContact O-N 3.3Å; C976-D978 VanDerWaalsContact C-N 3.34Å; C976-D978 PolarHBondContact SG-N 3.19Å; C976-D978 PolarHBondContact SG-O 3.47Å; C976-R982 HydrophobicContact CB-CB 4.18Å; C976-R982 PolarHBondContact O-NH1 3.22Å; C976-R982 VanDerWaalsContact O-NH1 3.11Å; C976-A1048 HydrophobicContact CB-CB 4.17Å; C976-K1051 CarbonylContact C-O 3.03Å; C976-K1051 WeakPolarHBondContact CA-O 3.4Å
977T92.3Very high92.3Very high9 Ų945.6 Ų45.66%0.05521%0.206CC..SBendtrans-82.2-14.1175.758.30000112.7S778 E779 D780 Q975 K1051 R1053S778-T977 CarbonylContact C-O 3.42Å; S778-T977 WeakPolarHBondContact CA-O 3.24Å; E779-T977 PolarHBondContact N-O 3.01Å; D780-T977 HydrophobicContact CB-CG2 4.49Å; Q975-T977 PolarHBondContact O-N 3.1Å; T977-K1051 PolarHBondContact N-O 2.83Å; T977-K1051 PolarHBondContact OG1-O 3.2Å; T977-K1051 VanDerWaalsContact OG1-O 3.06Å; T977-R1053 HydrophobicContact CG2-CB 4.28Å; T977-R1053 HydrophobicContact CG2-CG 3.49Å; T977-R1053 VanDerWaalsContact CG2-CG 3.49Å
978D92.4Very high92Very high22 Ų2239.7 Ų39.712%0.11819%0.186CC..BIsolated β-bridgetrans-88.2115.8174.3-169.5-57.4000110.3N777 C976 R980 I981 R982 K1051N777-D978 PolarHBondContact ND2-OD1 3.34Å; N777-D978 PolarHBondContact ND2-OD2 2.9Å; C976-D978 VanDerWaalsContact C-N 3.34Å; C976-D978 PolarHBondContact SG-N 3.19Å; C976-D978 PolarHBondContact SG-O 3.47Å; D978-R980 PolarHBondContact O-N 3.33Å; D978-R980 WeakPolarHBondContact OD1-CB 3.48Å; D978-R980 PolarHBondContact OD1-N 2.98Å; D978-I981 HydrophobicContact CB-CB 4.18Å; D978-I981 HydrophobicContact CB-CD1 3.97Å; D978-I981 HydrophobicContact CB-CG1 4.12Å; D978-I981 PolarHBondContact OD1-N 3.39Å; D978-R982 WeakPolarHBondContact O-CB 3.4Å; D978-R982 PolarHBondContact O-N 3.5Å; D978-K1051 HydrophobicContact CB-CB 4.18Å; D978-K1051 HydrophobicContact CB-CG 4.34Å
979K91.8Very high91.9Very high77 Ų7739.6 Ų39.634%0.33519%0.186SC..Hα-helixtrans-65.6-36.7-177.3-72.7168.6-173172.80112.8E776 N777 E779 T983E776-K979 PolarHBondContact O-NZ 3.15Å; N777-K979 WeakPolarHBondContact O-CB 3.31Å; N777-K979 WeakPolarHBondContact O-CD 3.31Å; N777-K979 WeakPolarHBondContact O-CG 3.33Å; N777-K979 PolarHBondContact O-N 3.36Å; N777-K979 WeakPolarHBondContact OD1-CB 3.45Å; N777-K979 PolarHBondContact OD1-N 2.95Å; E779-K979 VanDerWaalsContact OE1-CE 3.29Å; E779-K979 WeakPolarHBondContact OE1-CE 3.15Å; K979-T983 WeakPolarHBondContact O-CB 3.34Å; K979-T983 PolarHBondContact O-N 3.12Å; K979-T983 PolarHBondContact O-OG1 2.95Å
980R88.6Confident91.7Very high66 Ų6644.7 Ų44.725%0.24921%0.21CC..Hα-helixtrans-67.4-53.5-179.3-174.6-171.8-69.1145.98110.3E719 E774 N777 D978 R982 T983 N984E719-R980 VanDerWaalsContact CD-CD 3.44Å; E719-R980 IonicContact OE1-NE 2.81Å; E719-R980 WeakPolarHBondContact OE2-CD 3.21Å; E719-R980 IonicContact OE2-CZ 3.89Å; E719-R980 IonicContact OE2-NE 3.63Å; E719-R980 PolarHBondContact OE2-NE 3.07Å; E719-R980 IonicContact OE2-NH2 3.64Å; E774-R980 IonicContact OE1-NH1 3.35Å; E774-R980 IonicContact OE1-NH2 3.82Å; N777-R980 PolarHBondContact OD1-N 3.31Å; D978-R980 PolarHBondContact O-N 3.33Å; D978-R980 WeakPolarHBondContact OD1-CB 3.48Å; D978-R980 PolarHBondContact OD1-N 2.98Å; R980-R982 VanDerWaalsContact C-N 3.31Å; R980-R982 PolarHBondContact O-N 3.17Å; R980-T983 PolarHBondContact O-N 3.41Å; R980-T983 VanDerWaalsContact O-N 3.12Å; R980-N984 PolarHBondContact O-N 3.46Å
981I90.6Very high91.5Very high34 Ų3444.1 Ų44.117%0.17421%0.205CC..Hα-helixtrans-60.3-43.4179.2-58.3175.3000110.4D978 T983 N984 L985 A1047 A1048 K1051D978-I981 HydrophobicContact CB-CB 4.18Å; D978-I981 HydrophobicContact CB-CD1 3.97Å; D978-I981 HydrophobicContact CB-CG1 4.12Å; D978-I981 PolarHBondContact OD1-N 3.39Å; I981-T983 VanDerWaalsContact C-N 3.34Å; I981-T983 PolarHBondContact O-N 2.71Å; I981-N984 PolarHBondContact O-N 2.82Å; I981-L985 WeakPolarHBondContact O-CB 3.3Å; I981-L985 PolarHBondContact O-N 3.23Å; I981-A1047 HydrophobicContact CG2-CB 4.3Å; I981-A1048 HydrophobicContact CG2-CB 3.76Å; I981-K1051 HydrophobicContact CD1-CG 4.5Å
982R93.8Very high91.5Very high50 Ų5041.2 Ų41.219%0.18919%0.191CC..Hα-helixtrans-56.8-46174.7175.5168.666.5-159.48.4112.5E779 A973 C976 D978 R980 L986E779-R982 IonicContact OE1-CZ 3.19Å; E779-R982 IonicContact OE1-NH1 3.48Å; E779-R982 PolarHBondContact OE1-NH1 2.99Å; E779-R982 IonicContact OE1-NH2 3.95Å; E779-R982 PolarHBondContact OE1-NH2 3.38Å; E779-R982 IonicContact OE2-CZ 3.74Å; E779-R982 IonicContact OE2-NH1 2.93Å; E779-R982 PolarHBondContact OE2-NH1 3.14Å; E779-R982 IonicContact OE2-NH2 2.84Å; A973-R982 HydrophobicContact CB-CG 4.23Å; A973-R982 WeakPolarHBondContact O-CD 3.33Å; A973-R982 VanDerWaalsContact O-CG 3.24Å; A973-R982 WeakPolarHBondContact O-CG 3.47Å; C976-R982 HydrophobicContact CB-CB 4.18Å; C976-R982 PolarHBondContact O-NH1 3.22Å; C976-R982 VanDerWaalsContact O-NH1 3.11Å; D978-R982 WeakPolarHBondContact O-CB 3.4Å; D978-R982 PolarHBondContact O-N 3.5Å; R980-R982 VanDerWaalsContact C-N 3.31Å; R980-R982 PolarHBondContact O-N 3.17Å; R982-L986 HydrophobicContact CG-CD1 4.16Å; R982-L986 VanDerWaalsContact O-CG 3.31Å; R982-L986 WeakPolarHBondContact O-CG 3.43Å; R982-L986 PolarHBondContact O-N 3.29Å
983T90.9Very high91.6Very high65 Ų6543 Ų4340%0.39920%0.204SC..Hα-helixtrans-66.5-42.6-179.1-57.70000111.1K979 R980 I981 L986 Q987K979-T983 WeakPolarHBondContact O-CB 3.34Å; K979-T983 PolarHBondContact O-N 3.12Å; K979-T983 PolarHBondContact O-OG1 2.95Å; R980-T983 PolarHBondContact O-N 3.41Å; R980-T983 VanDerWaalsContact O-N 3.12Å; I981-T983 VanDerWaalsContact C-N 3.34Å; I981-T983 PolarHBondContact O-N 2.71Å; T983-L986 PolarHBondContact O-N 3.01Å; T983-Q987 HydrophobicContact CG2-CG 4.44Å; T983-Q987 WeakPolarHBondContact O-CB 3.3Å; T983-Q987 VanDerWaalsContact O-CG 3.31Å; T983-Q987 WeakPolarHBondContact O-CG 3.37Å; T983-Q987 PolarHBondContact O-N 3.43Å
984N88.4Confident91.5Very high24 Ų2444.8 Ų44.813%0.12821%0.214CC..Hα-helixtrans-61.6-46.4176.6-70.4-9.4000111.8N657 R980 I981 L986 Q987 V988N657-N984 PolarHBondContact ND2-ND2 2.97Å; N657-N984 PolarHBondContact ND2-OD1 3.45Å; R980-N984 PolarHBondContact O-N 3.46Å; I981-N984 PolarHBondContact O-N 2.82Å; N984-L986 VanDerWaalsContact C-N 3.34Å; N984-L986 PolarHBondContact O-N 3.37Å; N984-Q987 PolarHBondContact O-N 2.88Å; N984-V988 WeakPolarHBondContact O-CG2 3.43Å; N984-V988 PolarHBondContact O-N 3.38Å; N984-V988 VanDerWaalsContact O-N 3.11Å
985L93.4Very high91.6Very high0 Ų038.1 Ų38.10%019%0.186CC..Hα-helixtrans-59-44.4176.7178.554.3000111.8A969 V972 A973 I981 V988 C989 T1041 E1044 A1045 A1048A969-L985 HydrophobicContact CB-CD1 4.14Å; V972-L985 HydrophobicContact CB-CD2 4.27Å; V972-L985 HydrophobicContact CG1-CD2 4.05Å; A973-L985 HydrophobicContact CB-CB 4.49Å; A973-L985 HydrophobicContact CB-CD2 3.76Å; A973-L985 HydrophobicContact CB-CG 4.1Å; I981-L985 WeakPolarHBondContact O-CB 3.3Å; I981-L985 PolarHBondContact O-N 3.23Å; L985-V988 PolarHBondContact O-N 2.99Å; L985-C989 WeakPolarHBondContact O-CB 3.35Å; L985-C989 PolarHBondContact O-N 3.46Å; L985-C989 PolarHBondContact O-SG 2.83Å; L985-T1041 HydrophobicContact CD1-CG2 4Å; L985-E1044 HydrophobicContact CB-CB 4.06Å; L985-E1044 HydrophobicContact CD1-CB 3.77Å; L985-E1044 HydrophobicContact CG-CB 4.46Å; L985-A1045 HydrophobicContact CD1-CB 4.22Å; L985-A1045 HydrophobicContact CD2-CB 4.42Å; L985-A1048 HydrophobicContact CD2-CB 4.01Å
986L93.1Very high91.8Very high52 Ų5237.4 Ų37.427%0.27218%0.182SC..Hα-helixtrans-63.6-46.3176.2-71171.9000111.8K970 A973 R982 T983 N984 V988 C989 E990K970-L986 HydrophobicContact CG-CD2 4.1Å; A973-L986 HydrophobicContact CB-CD2 3.91Å; A973-L986 HydrophobicContact CB-CG 3.95Å; R982-L986 HydrophobicContact CG-CD1 4.16Å; R982-L986 VanDerWaalsContact O-CG 3.31Å; R982-L986 WeakPolarHBondContact O-CG 3.43Å; R982-L986 PolarHBondContact O-N 3.29Å; T983-L986 PolarHBondContact O-N 3.01Å; N984-L986 VanDerWaalsContact C-N 3.34Å; N984-L986 PolarHBondContact O-N 3.37Å; L986-V988 PolarHBondContact O-N 3.43Å; L986-C989 PolarHBondContact O-N 2.79Å; L986-E990 VanDerWaalsContact O-CB 3.26Å; L986-E990 WeakPolarHBondContact O-CB 3.45Å; L986-E990 WeakPolarHBondContact O-CG 3.49Å; L986-E990 PolarHBondContact O-N 2.94Å
987Q87.9Confident91.9Very high97 Ų9738.2 Ų38.245%0.45319%0.187SC..Hα-helixtrans-57.7-36.4179.2-77.5179.87.700113.1T983 N984 R991T983-Q987 HydrophobicContact CG2-CG 4.44Å; T983-Q987 WeakPolarHBondContact O-CB 3.3Å; T983-Q987 VanDerWaalsContact O-CG 3.31Å; T983-Q987 WeakPolarHBondContact O-CG 3.37Å; T983-Q987 PolarHBondContact O-N 3.43Å; N984-Q987 PolarHBondContact O-N 2.88Å; Q987-R991 WeakPolarHBondContact O-CD 3.39Å; Q987-R991 WeakPolarHBondContact O-CG 3.45Å
988V89.9Confident91.9Very high19 Ų1937.9 Ų37.912%0.11519%0.185CC..Hα-helixtrans-79.9-50.7178.3178.40000111.1N984 L985 L986 E990 R991 S1037 E1040 T1041N984-V988 WeakPolarHBondContact O-CG2 3.43Å; N984-V988 PolarHBondContact O-N 3.38Å; N984-V988 VanDerWaalsContact O-N 3.11Å; L985-V988 PolarHBondContact O-N 2.99Å; L986-V988 PolarHBondContact O-N 3.43Å; V988-E990 VanDerWaalsContact C-N 3.32Å; V988-E990 PolarHBondContact O-N 3.23Å; V988-R991 WeakPolarHBondContact O-CB 3.42Å; V988-R991 PolarHBondContact O-N 3.49Å; V988-S1037 VanDerWaalsContact CG1-O 3.25Å; V988-S1037 WeakPolarHBondContact CG1-O 3.3Å; V988-E1040 HydrophobicContact CG1-CB 3.54Å; V988-E1040 HydrophobicContact CG2-CB 4.4Å; V988-T1041 WeakPolarHBondContact CG1-OG1 3.33Å
989C93.4Very high92Very high0 Ų036.9 Ų36.90%018%0.18CC..Hα-helixtrans-70.3-26.8-173.273.60000113.2A969 L985 L986 R991 I992 P993 T1041A969-C989 HydrophobicContact CB-CB 3.93Å; L985-C989 WeakPolarHBondContact O-CB 3.35Å; L985-C989 PolarHBondContact O-N 3.46Å; L985-C989 PolarHBondContact O-SG 2.83Å; L986-C989 PolarHBondContact O-N 2.79Å; C989-R991 PolarHBondContact O-N 3.18Å; C989-I992 HydrophobicContact CB-CD1 4.42Å; C989-I992 WeakPolarHBondContact O-CB 3.44Å; C989-I992 PolarHBondContact O-N 2.92Å; C989-P993 WeakPolarHBondContact O-CD 3.45Å; C989-T1041 HydrophobicContact CB-CG2 3.85Å
990E90.9Very high92.1Very high107 Ų10736 Ų3650%0.518%0.176SC..THydrogen-bonded Turntrans-71.5-11.3177.4-71.3-171.7150.500114K970 L986 V988K970-E990 IonicContact NZ-OE1 3.72Å; K970-E990 PolarHBondContact NZ-OE1 3.03Å; L986-E990 VanDerWaalsContact O-CB 3.26Å; L986-E990 WeakPolarHBondContact O-CB 3.45Å; L986-E990 WeakPolarHBondContact O-CG 3.49Å; L986-E990 PolarHBondContact O-N 2.94Å; V988-E990 VanDerWaalsContact C-N 3.32Å; V988-E990 PolarHBondContact O-N 3.23Å
991R90.4Very high92.3Very high72 Ų7233.1 Ų33.127%0.27217%0.165SC..THydrogen-bonded Turntrans-78-27.8172.1-60.3167.965.6171.51.3112.2Q987 V988 C989 T994 I995Q987-R991 WeakPolarHBondContact O-CD 3.39Å; Q987-R991 WeakPolarHBondContact O-CG 3.45Å; V988-R991 WeakPolarHBondContact O-CB 3.42Å; V988-R991 PolarHBondContact O-N 3.49Å; C989-R991 PolarHBondContact O-N 3.18Å; R991-T994 PolarHBondContact O-N 2.92Å; R991-I995 HydrophobicContact CB-CD1 4Å; R991-I995 VanDerWaalsContact O-CG1 3.26Å; R991-I995 WeakPolarHBondContact O-CG1 3.29Å; R991-I995 PolarHBondContact O-N 3.4Å; R991-I995 VanDerWaalsContact O-N 3.14Å
992I94.6Very high92.3Very high0 Ų031.6 Ų31.60%016%0.158CC..Hα-helixtrans-59.4-47.2-172-65173000112.3V965 T966 C989 T994 I995 S996 L1034 V1038 T1041V965-I992 HydrophobicContact CG1-CD1 4.16Å; T966-I992 WeakPolarHBondContact OG1-CB 3.5Å; T966-I992 WeakPolarHBondContact OG1-CG2 3.29Å; C989-I992 HydrophobicContact CB-CD1 4.42Å; C989-I992 WeakPolarHBondContact O-CB 3.44Å; C989-I992 PolarHBondContact O-N 2.92Å; I992-T994 PolarHBondContact O-N 3.12Å; I992-I995 PolarHBondContact O-N 2.99Å; I992-S996 WeakPolarHBondContact O-CB 3.27Å; I992-S996 PolarHBondContact O-N 3.26Å; I992-L1034 HydrophobicContact CG2-CD1 3.96Å; I992-V1038 HydrophobicContact CD1-CG2 3.97Å; I992-V1038 HydrophobicContact CG1-CG2 4.37Å; I992-T1041 HydrophobicContact CD1-CG2 4.47Å
993P94.5Very high92.2Very high44 Ų4429.3 Ų29.329%0.28615%0.149SC..Hα-helixtrans-58.3-46.3-178.2-27.636.7000113.5T966 C989 S996 T997T966-P993 HydrophobicContact CG2-CG 3.92Å; C989-P993 WeakPolarHBondContact O-CD 3.45Å; P993-S996 WeakPolarHBondContact O-CB 3.29Å; P993-S996 PolarHBondContact O-N 3.18Å; P993-T997 PolarHBondContact O-N 3Å; P993-T997 PolarHBondContact O-OG1 2.6Å
994T91.3Very high92.3Very high37 Ų3726.5 Ų26.523%0.22713%0.132CC..Hα-helixtrans-63.7-48177.4-67.40000111.3T183 R991 I992 S996 T997 Q998T183-T994 HydrophobicContact CG2-CG2 4.23Å; R991-T994 PolarHBondContact O-N 2.92Å; I992-T994 PolarHBondContact O-N 3.12Å; T994-S996 VanDerWaalsContact C-N 3.28Å; T994-S996 PolarHBondContact O-N 3.45Å; T994-T997 PolarHBondContact O-N 3.11Å; T994-Q998 VanDerWaalsContact O-CG 3.22Å; T994-Q998 WeakPolarHBondContact O-CG 3.23Å; T994-Q998 PolarHBondContact O-N 3.46Å
995I93.2Very high92.4Very high8 Ų826.2 Ų26.24%0.04113%0.131CC..Hα-helixtrans-61.3-40.6179.9-61.7166.2000110.6R991 I992 Q998 L999 N1030 N1033 L1034R991-I995 HydrophobicContact CB-CD1 4Å; R991-I995 VanDerWaalsContact O-CG1 3.26Å; R991-I995 WeakPolarHBondContact O-CG1 3.29Å; R991-I995 PolarHBondContact O-N 3.4Å; R991-I995 VanDerWaalsContact O-N 3.14Å; I992-I995 PolarHBondContact O-N 2.99Å; I995-Q998 WeakPolarHBondContact O-CB 3.35Å; I995-Q998 PolarHBondContact O-N 2.9Å; I995-L999 PolarHBondContact O-N 2.97Å; I995-N1030 WeakPolarHBondContact CG2-ND2 3.47Å; I995-N1030 WeakPolarHBondContact CG2-O 3.32Å; I995-N1030 PolarHBondContact O-ND2 2.71Å; I995-N1030 VanDerWaalsContact O-ND2 3.11Å; I995-N1030 PolarHBondContact O-OD1 3.19Å; I995-N1033 HydrophobicContact CD1-CB 4.26Å; I995-N1033 HydrophobicContact CG2-CB 4.46Å; I995-L1034 HydrophobicContact CB-CD1 4.31Å; I995-L1034 HydrophobicContact CG2-CB 3.64Å; I995-L1034 HydrophobicContact CG2-CD1 4.09Å; I995-L1034 HydrophobicContact CG2-CG 4.38Å
996S94.4Very high92.2Very high2 Ų226.6 Ų26.61%0.01413%0.133CC..Hα-helixtrans-62.3-44175.51730000112.9A959 S962 I992 P993 T994 L999 K1000A959-S996 WeakPolarHBondContact CA-OG 3.4Å; A959-S996 WeakPolarHBondContact CB-OG 3.48Å; S962-S996 WeakPolarHBondContact OG-CB 3.4Å; S962-S996 PolarHBondContact OG-OG 3.13Å; S962-S996 VanDerWaalsContact OG-OG 3.13Å; I992-S996 WeakPolarHBondContact O-CB 3.27Å; I992-S996 PolarHBondContact O-N 3.26Å; P993-S996 WeakPolarHBondContact O-CB 3.29Å; P993-S996 PolarHBondContact O-N 3.18Å; T994-S996 VanDerWaalsContact C-N 3.28Å; T994-S996 PolarHBondContact O-N 3.45Å; S996-L999 WeakPolarHBondContact O-CB 3.42Å; S996-L999 PolarHBondContact O-N 2.89Å; S996-K1000 PolarHBondContact O-N 3.34Å; S996-K1000 VanDerWaalsContact O-N 3.1Å
997T93.1Very high92Very high18 Ų1824.1 Ų24.111%0.1112%0.12CC..Hα-helixtrans-62.7-44174.7-69.80000112E10 E14 P993 T994 L999 K1000 I1001E10-T997 HydrophobicContact CG-CG2 3.81Å; E10-T997 WeakPolarHBondContact OE1-CB 3.48Å; E10-T997 WeakPolarHBondContact OE1-CG2 3.4Å; E14-T997 HydrophobicContact CB-CG2 4.04Å; E14-T997 HydrophobicContact CG-CG2 4Å; E14-T997 PolarHBondContact OE1-OG1 3.41Å; P993-T997 PolarHBondContact O-N 3Å; P993-T997 PolarHBondContact O-OG1 2.6Å; T994-T997 PolarHBondContact O-N 3.11Å; T997-L999 VanDerWaalsContact C-N 3.31Å; T997-L999 PolarHBondContact O-N 3.4Å; T997-K1000 WeakPolarHBondContact O-CB 3.49Å; T997-K1000 PolarHBondContact O-N 3Å; T997-I1001 HydrophobicContact CG2-CD1 4.22Å; T997-I1001 WeakPolarHBondContact O-CG1 3.43Å; T997-I1001 PolarHBondContact O-N 2.86Å; T997-I1001 VanDerWaalsContact O-N 3.12Å
998Q92.7Very high92Very high2 Ų219.5 Ų19.51%0.00910%0.098CC..Hα-helixtrans-60.1-39.6173.3-65.5172.33.600112.1F4 T994 I995 K1000 I1001 L1002 N1030F4-Q998 HydrophobicContact CB-CG 4.42Å; F4-Q998 HydrophobicContact CD1-CG 4.37Å; F4-Q998 HydrophobicContact CD2-CB 4.21Å; F4-Q998 HydrophobicContact CD2-CG 3.35Å; F4-Q998 HydrophobicContact CE1-CB 4.49Å; F4-Q998 HydrophobicContact CE2-CB 3.98Å; F4-Q998 HydrophobicContact CE2-CG 3.55Å; F4-Q998 VanDerWaalsContact CE2-OE1 3.31Å; F4-Q998 HydrophobicContact CG-CG 3.78Å; F4-Q998 HydrophobicContact CZ-CB 4.13Å; F4-Q998 HydrophobicContact CZ-CG 4.17Å; T994-Q998 VanDerWaalsContact O-CG 3.22Å; T994-Q998 WeakPolarHBondContact O-CG 3.23Å; T994-Q998 PolarHBondContact O-N 3.46Å; I995-Q998 WeakPolarHBondContact O-CB 3.35Å; I995-Q998 PolarHBondContact O-N 2.9Å; Q998-K1000 VanDerWaalsContact C-N 3.34Å; Q998-K1000 PolarHBondContact O-N 3.12Å; Q998-I1001 PolarHBondContact O-N 2.72Å; Q998-L1002 WeakPolarHBondContact O-CB 3.47Å; Q998-L1002 WeakPolarHBondContact O-CG 3.44Å; Q998-L1002 PolarHBondContact O-N 3.38Å; Q998-N1030 VanDerWaalsContact CB-ND2 3.29Å; Q998-N1030 WeakPolarHBondContact CB-ND2 3.37Å; Q998-N1030 PolarHBondContact OE1-ND2 2.99Å
999L94.2Very high91.7Very high0 Ų019 Ų190%010%0.095CC..Hα-helixtrans-58.9-43.2175-169.874.1000111.7M934 M937 I958 I995 S996 T997 S1003 L1027 N1030 A1031 L1034M934-L999 HydrophobicContact CE-CD2 4.38Å; M937-L999 HydrophobicContact CE-CD2 4.31Å; M937-L999 HydrophobicContact CE-CG 4.47Å; M937-L999 HydrophobicContact SD-CD1 4.15Å; I958-L999 HydrophobicContact CB-CD2 4.1Å; I958-L999 HydrophobicContact CD1-CD2 4.22Å; I958-L999 HydrophobicContact CG2-CD2 3.61Å; I995-L999 PolarHBondContact O-N 2.97Å; S996-L999 WeakPolarHBondContact O-CB 3.42Å; S996-L999 PolarHBondContact O-N 2.89Å; T997-L999 VanDerWaalsContact C-N 3.31Å; T997-L999 PolarHBondContact O-N 3.4Å; L999-S1003 VanDerWaalsContact O-CB 3.24Å; L999-S1003 WeakPolarHBondContact O-CB 3.33Å; L999-S1003 PolarHBondContact O-N 3.32Å; L999-S1003 PolarHBondContact O-OG 3.38Å; L999-L1027 HydrophobicContact CD1-CD1 3.64Å; L999-N1030 WeakPolarHBondContact CA-OD1 3.49Å; L999-N1030 VanDerWaalsContact CB-OD1 3.29Å; L999-N1030 WeakPolarHBondContact CB-OD1 3.36Å; L999-N1030 WeakPolarHBondContact CD1-OD1 3.48Å; L999-N1030 PolarHBondContact N-OD1 3.29Å; L999-A1031 HydrophobicContact CD1-CB 4.45Å; L999-L1034 HydrophobicContact CD2-CD2 3.89Å
1000K94.3Very high91.2Very high59 Ų5919.7 Ų19.726%0.25710%0.098SC..Hα-helixtrans-61.8-42.2175.7-67.5-179.5-64.7178.70111.9E14 A959 S996 T997 Q998 S1003 T1004E14-K1000 IonicContact OE1-NZ 2.81Å; E14-K1000 PolarHBondContact OE1-NZ 3.18Å; A959-K1000 HydrophobicContact CB-CD 3.88Å; A959-K1000 HydrophobicContact CB-CG 4.02Å; S996-K1000 PolarHBondContact O-N 3.34Å; S996-K1000 VanDerWaalsContact O-N 3.1Å; T997-K1000 WeakPolarHBondContact O-CB 3.49Å; T997-K1000 PolarHBondContact O-N 3Å; Q998-K1000 VanDerWaalsContact C-N 3.34Å; Q998-K1000 PolarHBondContact O-N 3.12Å; K1000-S1003 WeakPolarHBondContact CA-OG 3.33Å; K1000-S1003 PolarHBondContact O-OG 3.42Å; K1000-T1004 WeakPolarHBondContact O-CB 3.33Å; K1000-T1004 PolarHBondContact O-N 2.97Å; K1000-T1004 VanDerWaalsContact O-N 3.17Å; K1000-T1004 PolarHBondContact O-OG1 3.5Å
1001I92.4Very high90.3Very high5 Ų518.5 Ų18.53%0.02612%0.115CC..Hα-helixtrans-67.3-50.8178.9-63.8167.7000110.1L13 A17 T997 Q998 S1003 T1004 V1005L13-I1001 HydrophobicContact CB-CD1 4.11Å; A17-I1001 HydrophobicContact CB-CB 4.5Å; A17-I1001 HydrophobicContact CB-CG1 4.04Å; A17-I1001 HydrophobicContact CB-CG2 4.48Å; T997-I1001 HydrophobicContact CG2-CD1 4.22Å; T997-I1001 WeakPolarHBondContact O-CG1 3.43Å; T997-I1001 PolarHBondContact O-N 2.86Å; T997-I1001 VanDerWaalsContact O-N 3.12Å; Q998-I1001 PolarHBondContact O-N 2.72Å; I1001-S1003 PolarHBondContact O-N 2.91Å; I1001-T1004 WeakPolarHBondContact O-CB 3.4Å; I1001-T1004 PolarHBondContact O-N 3.44Å; I1001-V1005 WeakPolarHBondContact O-CG2 3.43Å; I1001-V1005 PolarHBondContact O-N 3.49Å
1002L91.7Very high89.5Confident3 Ų317.3 Ų17.32%0.01611%0.11CC..Hα-helixtrans-63.2-41.9-178.4-72.1171000112.6P2 F4 Q998 T1004 V1005 K1006 M1026 L1027 N1030P2-L1002 HydrophobicContact CG-CD2 3.93Å; F4-L1002 HydrophobicContact CE1-CD1 4.19Å; F4-L1002 HydrophobicContact CE1-CD2 3.84Å; F4-L1002 HydrophobicContact CE1-CG 3.91Å; F4-L1002 HydrophobicContact CZ-CD1 3.93Å; F4-L1002 HydrophobicContact CZ-CD2 4.25Å; F4-L1002 HydrophobicContact CZ-CG 4.18Å; Q998-L1002 WeakPolarHBondContact O-CB 3.47Å; Q998-L1002 WeakPolarHBondContact O-CG 3.44Å; Q998-L1002 PolarHBondContact O-N 3.38Å; L1002-T1004 VanDerWaalsContact C-N 3.33Å; L1002-T1004 PolarHBondContact O-N 2.89Å; L1002-V1005 PolarHBondContact O-N 3.13Å; L1002-K1006 WeakPolarHBondContact O-CB 3.45Å; L1002-K1006 PolarHBondContact O-N 3.48Å; L1002-M1026 HydrophobicContact CD1-CB 4.43Å; L1002-M1026 HydrophobicContact CD2-CB 3.93Å; L1002-M1026 HydrophobicContact CD2-CE 4.13Å; L1002-M1026 HydrophobicContact CD2-SD 4.43Å; L1002-L1027 HydrophobicContact CB-CB 4.42Å; L1002-L1027 HydrophobicContact CB-CD1 3.79Å; L1002-N1030 HydrophobicContact CD1-CB 3.69Å
1003S92.1Very high88.1Confident1 Ų124.3 Ų24.31%0.00715%0.153CC..Hα-helixtrans-63-39.817556.20000111.9A955 L999 K1000 I1001 K1006 A1007A955-S1003 WeakPolarHBondContact CB-OG 3.37Å; L999-S1003 VanDerWaalsContact O-CB 3.24Å; L999-S1003 WeakPolarHBondContact O-CB 3.33Å; L999-S1003 PolarHBondContact O-N 3.32Å; L999-S1003 PolarHBondContact O-OG 3.38Å; K1000-S1003 WeakPolarHBondContact CA-OG 3.33Å; K1000-S1003 PolarHBondContact O-OG 3.42Å; I1001-S1003 PolarHBondContact O-N 2.91Å; S1003-K1006 PolarHBondContact O-N 3.43Å; S1003-A1007 VanDerWaalsContact O-CB 3.3Å; S1003-A1007 WeakPolarHBondContact O-CB 3.38Å; S1003-A1007 PolarHBondContact O-N 2.95Å
1004T92.1Very high86.9Confident6 Ų626.5 Ų26.54%0.03716%0.162CC..Hα-helixtrans-64.3-45.2174.8-56.20000111.1I20 L116 K1000 I1001 L1002 A1007 T1008I20-T1004 HydrophobicContact CG2-CG2 4.32Å; L116-T1004 HydrophobicContact CD1-CG2 4.11Å; K1000-T1004 WeakPolarHBondContact O-CB 3.33Å; K1000-T1004 PolarHBondContact O-N 2.97Å; K1000-T1004 VanDerWaalsContact O-N 3.17Å; K1000-T1004 PolarHBondContact O-OG1 3.5Å; I1001-T1004 WeakPolarHBondContact O-CB 3.4Å; I1001-T1004 PolarHBondContact O-N 3.44Å; L1002-T1004 VanDerWaalsContact C-N 3.33Å; L1002-T1004 PolarHBondContact O-N 2.89Å; T1004-A1007 PolarHBondContact O-N 3.49Å; T1004-T1008 WeakPolarHBondContact O-CG2 3.26Å; T1004-T1008 PolarHBondContact O-N 3.05Å
1005V90.4Very high85.9Confident19 Ų1925.6 Ų25.612%0.11516%0.156CC..Hα-helixtrans-58.6-51.4175171.60000110.3P2 L116 I1001 L1002 A1007 T1008 M1009P2-V1005 HydrophobicContact CB-CG2 4.47Å; P2-V1005 HydrophobicContact CG-CG1 4.48Å; P2-V1005 HydrophobicContact CG-CG2 4.47Å; L116-V1005 HydrophobicContact CB-CG2 4.39Å; L116-V1005 HydrophobicContact CD1-CG2 3.93Å; I1001-V1005 WeakPolarHBondContact O-CG2 3.43Å; I1001-V1005 PolarHBondContact O-N 3.49Å; L1002-V1005 PolarHBondContact O-N 3.13Å; V1005-A1007 VanDerWaalsContact C-N 3.29Å; V1005-A1007 PolarHBondContact O-N 3.31Å; V1005-T1008 PolarHBondContact O-N 3.45Å; V1005-T1008 VanDerWaalsContact O-N 3.07Å; V1005-T1008 PolarHBondContact O-OG1 3.23Å; V1005-M1009 HydrophobicContact CG1-SD 4.16Å; V1005-M1009 WeakPolarHBondContact O-CG 3.47Å
1006K88.5Confident84.8Confident7 Ų728 Ų283%0.0317%0.174CC..Hα-helixtrans-60-40.3-179.9-176.960.4180-178.10111.8L951 L1002 S1003 T1008 M1009 L1010 S1020 T1024 L1027L951-K1006 HydrophobicContact CD2-CB 4.24Å; L951-K1006 HydrophobicContact CD2-CG 4.08Å; L1002-K1006 WeakPolarHBondContact O-CB 3.45Å; L1002-K1006 PolarHBondContact O-N 3.48Å; S1003-K1006 PolarHBondContact O-N 3.43Å; K1006-T1008 VanDerWaalsContact C-N 3.27Å; K1006-T1008 PolarHBondContact O-N 2.85Å; K1006-M1009 PolarHBondContact O-N 2.96Å; K1006-L1010 PolarHBondContact O-N 2.96Å; K1006-S1020 PolarHBondContact NZ-O 3.21Å; K1006-S1020 PolarHBondContact NZ-OG 2.84Å; K1006-T1024 WeakPolarHBondContact CE-OG1 3.21Å; K1006-T1024 PolarHBondContact NZ-OG1 3.34Å; K1006-L1027 HydrophobicContact CB-CD2 4.39Å; K1006-L1027 HydrophobicContact CG-CD2 4.41Å
1007A89.4Confident83.7Confident0 Ų036.2 Ų36.20%021%0.212CC..Hα-helixtrans-58.2-37.6176.500000112.3V24 K948 L951 I952 S1003 T1004 V1005 M1009V24-A1007 HydrophobicContact CG1-CB 4.12Å; K948-A1007 HydrophobicContact CB-CB 4.21Å; K948-A1007 VanDerWaalsContact CD-O 3.27Å; K948-A1007 WeakPolarHBondContact CD-O 3.38Å; K948-A1007 WeakPolarHBondContact CG-O 3.36Å; L951-A1007 HydrophobicContact CD2-CB 4.35Å; I952-A1007 HydrophobicContact CD1-CB 3.92Å; I952-A1007 HydrophobicContact CG1-CB 3.93Å; S1003-A1007 VanDerWaalsContact O-CB 3.3Å; S1003-A1007 WeakPolarHBondContact O-CB 3.38Å; S1003-A1007 PolarHBondContact O-N 2.95Å; T1004-A1007 PolarHBondContact O-N 3.49Å; V1005-A1007 VanDerWaalsContact C-N 3.29Å; V1005-A1007 PolarHBondContact O-N 3.31Å; A1007-M1009 PolarHBondContact O-N 3.03Å; A1007-M1009 VanDerWaalsContact O-N 3.17Å
1008T87.6Confident82.6Confident1 Ų140 Ų401%0.00623%0.228CC..Hα-helixtrans-65.8-15.3175.470.50000114.2V24 I109 L116 T1004 V1005 K1006V24-T1008 HydrophobicContact CG2-CG2 3.74Å; I109-T1008 WeakPolarHBondContact CG2-O 3.16Å; L116-T1008 HydrophobicContact CD1-CG2 4.22Å; T1004-T1008 WeakPolarHBondContact O-CG2 3.26Å; T1004-T1008 PolarHBondContact O-N 3.05Å; V1005-T1008 PolarHBondContact O-N 3.45Å; V1005-T1008 VanDerWaalsContact O-N 3.07Å; V1005-T1008 PolarHBondContact O-OG1 3.23Å; K1006-T1008 VanDerWaalsContact C-N 3.27Å; K1006-T1008 PolarHBondContact O-N 2.85Å
1009M84.4Confident81.7Confident7 Ų743.5 Ų43.53%0.03425%0.245CC..Hα-helixtrans-105.8-12.6-173.8-55.2173.782.200113.8V1005 K1006 A1007 I1015 E1019 A1023V1005-M1009 HydrophobicContact CG1-SD 4.16Å; V1005-M1009 WeakPolarHBondContact O-CG 3.47Å; K1006-M1009 PolarHBondContact O-N 2.96Å; A1007-M1009 PolarHBondContact O-N 3.03Å; A1007-M1009 VanDerWaalsContact O-N 3.17Å; M1009-I1015 HydrophobicContact CB-CD1 3.81Å; M1009-I1015 HydrophobicContact CE-CG2 3.7Å; M1009-I1015 HydrophobicContact CG-CD1 4.03Å; M1009-E1019 VanDerWaalsContact CE-C 3.44Å; M1009-E1019 HydrophobicContact CE-CB 3.78Å; M1009-E1019 HydrophobicContact CE-CG 3.54Å; M1009-E1019 WeakPolarHBondContact CE-O 3.38Å; M1009-A1023 HydrophobicContact CE-CB 4.5Å; M1009-A1023 HydrophobicContact SD-CB 3.81Å
1010L82.5Confident81Confident15 Ų1544.9 Ų44.98%0.07926%0.255CS..THydrogen-bonded Turntrans-68.5131.9-178-71.3173.5000111.8K948 L951 K1006 R1012K948-L1010 WeakPolarHBondContact CE-O 3.3Å; K948-L1010 HydrophobicContact CG-CB 4.35Å; K948-L1010 HydrophobicContact CG-CD1 4.5Å; L951-L1010 HydrophobicContact CD2-CD1 3.91Å; K1006-L1010 PolarHBondContact O-N 2.96Å; L1010-R1012 VanDerWaalsContact C-N 3.33Å; L1010-R1012 PolarHBondContact O-N 3.11Å
1011G72.4Confident80.3Confident82 Ų8247.8 Ų47.885%0.84527%0.269SS*.THydrogen-bonded Turntrans75.113.4172.700000115.5
1012R73.8Confident79.7Confident48 Ų4851.4 Ų51.418%0.18129%0.286CS..  trans-101.4138.1-175.9-64.6-62.7-172.8176.1-0.8112.4H27 D106 L1010 I1015H27-R1012 PolarHBondContact CE1-NH2 3.25Å; H27-R1012 VanDerWaalsContact CE1-NH2 3.28Å; H27-R1012 PolarHBondContact NE2-NH2 3.13Å; D106-R1012 IonicContact OD1-CZ 2.68Å; D106-R1012 IonicContact OD1-NH1 3.12Å; D106-R1012 PolarHBondContact OD1-NH1 3.39Å; D106-R1012 IonicContact OD1-NH2 2.79Å; L1010-R1012 VanDerWaalsContact C-N 3.33Å; L1010-R1012 PolarHBondContact O-N 3.11Å; R1012-I1015 HydrophobicContact CB-CD1 3.63Å; R1012-I1015 HydrophobicContact CB-CG1 3.73Å; R1012-I1015 HydrophobicContact CG-CD1 4.1Å
1013T66.2Low79.3Confident147 Ų14751.7 Ų51.790%0.90229%0.288SS*.SBendtrans-94.4-15179.953.70000113.7I1015T1013-I1015 VanDerWaalsContact C-N 3.28Å; T1013-I1015 PolarHBondContact O-N 3.19Å
1014N68.5Low79Confident89 Ų8952.6 Ų52.648%0.47629%0.294SS..SBendtrans-89.110.9179.869.3-18.9000113.4D110D110-N1014 PolarHBondContact OD1-ND2 3.34Å; D110-N1014 VanDerWaalsContact OD1-ND2 3.15Å; D110-N1014 PolarHBondContact OD2-ND2 2.95Å
1015I69.6Low78.6Confident19 Ų1957.9 Ų57.910%0.09732%0.319CS..SBendtrans-114.7135.7-178.4-47.8-168.3000107.5M1009 R1012 T1013 E1019M1009-I1015 HydrophobicContact CB-CD1 3.81Å; M1009-I1015 HydrophobicContact CE-CG2 3.7Å; M1009-I1015 HydrophobicContact CG-CD1 4.03Å; R1012-I1015 HydrophobicContact CB-CD1 3.63Å; R1012-I1015 HydrophobicContact CB-CG1 3.73Å; R1012-I1015 HydrophobicContact CG-CD1 4.1Å; T1013-I1015 VanDerWaalsContact C-N 3.28Å; T1013-I1015 PolarHBondContact O-N 3.19Å; I1015-E1019 HydrophobicContact CG2-CB 4.07Å
1016S70.8Confident78.4Confident59 Ų5958.8 Ų58.841%0.41332%0.322SS..  trans-65.9142.9172.4630000109.6E1018 E1019 S1020S1016-E1018 PolarHBondContact O-N 3.4Å; S1016-E1019 PolarHBondContact O-N 3.18Å; S1016-E1019 PolarHBondContact OG-N 3.33Å; S1016-S1020 PolarHBondContact O-N 3.48Å
1017E70.8Confident78.5Confident173 Ų17358.4 Ų58.481%0.80832%0.32SS*.Hα-helixtrans-55-35.7173.4-70.2-175.715900110.8S1020 E1021E1017-S1020 PolarHBondContact O-N 3.01Å; E1017-E1021 VanDerWaalsContact O-CB 3.28Å; E1017-E1021 WeakPolarHBondContact O-CB 3.5Å; E1017-E1021 PolarHBondContact O-N 3.29Å
1018E69.4Low78.5Confident98 Ų9859.1 Ų59.146%0.45833%0.325SS..Hα-helixtrans-59.3-46177-63.6174.7172.700113.5S1016 S1020 E1021 Q1022S1016-E1018 PolarHBondContact O-N 3.4Å; E1018-S1020 VanDerWaalsContact C-N 3.31Å; E1018-S1020 PolarHBondContact O-N 3.49Å; E1018-E1021 PolarHBondContact O-N 3.01Å; E1018-Q1022 WeakPolarHBondContact O-CB 3.18Å; E1018-Q1022 WeakPolarHBondContact O-CG 3.33Å; E1018-Q1022 PolarHBondContact O-N 3.47Å
1019E74.7Confident78.5Confident75 Ų7562.1 Ų62.135%0.3534%0.338SS..Hα-helixtrans-65.1-40.3180-159.2-167.6160.700110.3R113 M1009 I1015 S1016 A1023R113-E1019 IonicContact NH1-OE2 2.65Å; M1009-E1019 VanDerWaalsContact CE-C 3.44Å; M1009-E1019 HydrophobicContact CE-CB 3.78Å; M1009-E1019 HydrophobicContact CE-CG 3.54Å; M1009-E1019 WeakPolarHBondContact CE-O 3.38Å; I1015-E1019 HydrophobicContact CG2-CB 4.07Å; S1016-E1019 PolarHBondContact O-N 3.18Å; S1016-E1019 PolarHBondContact OG-N 3.33Å; E1019-A1023 PolarHBondContact O-N 3.4Å; E1019-A1023 VanDerWaalsContact O-N 3.14Å
1020S80.1Confident78.8Confident30 Ų3061.9 Ų61.921%0.2134%0.337CS..Hα-helixtrans-70-36.3178.7-169.30000112.3K1006 S1016 E1017 E1018 T1024K1006-S1020 PolarHBondContact NZ-O 3.21Å; K1006-S1020 PolarHBondContact NZ-OG 2.84Å; S1016-S1020 PolarHBondContact O-N 3.48Å; E1017-S1020 PolarHBondContact O-N 3.01Å; E1018-S1020 VanDerWaalsContact C-N 3.31Å; E1018-S1020 PolarHBondContact O-N 3.49Å; S1020-T1024 PolarHBondContact O-N 2.91Å; S1020-T1024 VanDerWaalsContact O-N 3.17Å; S1020-T1024 PolarHBondContact O-OG1 3.36Å
1021E79.9Confident79.3Confident119 Ų11961.2 Ų61.256%0.55633%0.334SS*.Hα-helixtrans-68.1-48.8176.3-171.5165-152.600110.8E1017 E1018 A1023 T1024 E1025E1017-E1021 VanDerWaalsContact O-CB 3.28Å; E1017-E1021 WeakPolarHBondContact O-CB 3.5Å; E1017-E1021 PolarHBondContact O-N 3.29Å; E1018-E1021 PolarHBondContact O-N 3.01Å; E1021-A1023 PolarHBondContact O-N 3.32Å; E1021-T1024 CarbonylContact O-C 3.55Å; E1021-T1024 WeakPolarHBondContact O-CA 3.49Å; E1021-T1024 WeakPolarHBondContact O-CB 2.89Å; E1021-T1024 PolarHBondContact O-N 3.27Å; E1021-E1025 PolarHBondContact O-N 3.14Å
1022Q79.2Confident80.1Confident81 Ų8160.8 Ų60.838%0.37931%0.31SS..Hα-helixtrans-57.3-45.2175.6-74.1176.5-1.500112.8M1 E1018 T1024 E1025 M1026M1-Q1022 HydrophobicContact SD-CB 4.41Å; E1018-Q1022 WeakPolarHBondContact O-CB 3.18Å; E1018-Q1022 WeakPolarHBondContact O-CG 3.33Å; E1018-Q1022 PolarHBondContact O-N 3.47Å; Q1022-T1024 PolarHBondContact O-N 3.02Å; Q1022-E1025 PolarHBondContact O-N 3.07Å; Q1022-M1026 WeakPolarHBondContact O-CG 3.31Å; Q1022-M1026 PolarHBondContact O-N 3.34Å
1023A83Confident80.8Confident9 Ų960 Ų607%0.07431%0.309CS..Hα-helixtrans-61.5-31.5175.400000112.1M1009 E1019 E1021 L1027M1009-A1023 HydrophobicContact CE-CB 4.5Å; M1009-A1023 HydrophobicContact SD-CB 3.81Å; E1019-A1023 PolarHBondContact O-N 3.4Å; E1019-A1023 VanDerWaalsContact O-N 3.14Å; E1021-A1023 PolarHBondContact O-N 3.32Å; A1023-L1027 WeakPolarHBondContact O-CB 3.41Å; A1023-L1027 PolarHBondContact O-N 2.99Å
1024T85.8Confident82.2Confident20 Ų2053 Ų5312%0.12327%0.266CS..Hα-helixtrans-70-46.9174.4-51.40000111V941 K1006 S1020 E1021 Q1022 M1026 L1027 V1028V941-T1024 HydrophobicContact CG1-CG2 3.51Å; K1006-T1024 WeakPolarHBondContact CE-OG1 3.21Å; K1006-T1024 PolarHBondContact NZ-OG1 3.34Å; S1020-T1024 PolarHBondContact O-N 2.91Å; S1020-T1024 VanDerWaalsContact O-N 3.17Å; S1020-T1024 PolarHBondContact O-OG1 3.36Å; E1021-T1024 CarbonylContact O-C 3.55Å; E1021-T1024 WeakPolarHBondContact O-CA 3.49Å; E1021-T1024 WeakPolarHBondContact O-CB 2.89Å; E1021-T1024 PolarHBondContact O-N 3.27Å; Q1022-T1024 PolarHBondContact O-N 3.02Å; T1024-M1026 VanDerWaalsContact C-N 3.33Å; T1024-M1026 PolarHBondContact O-N 3.33Å; T1024-L1027 PolarHBondContact O-N 3.25Å; T1024-V1028 HydrophobicContact CG2-CG2 4.09Å; T1024-V1028 WeakPolarHBondContact O-CB 3.38Å; T1024-V1028 WeakPolarHBondContact O-CG2 3.34Å; T1024-V1028 PolarHBondContact O-N 3.48Å
1025E84.5Confident83.5Confident118 Ų11848.9 Ų48.955%0.55124%0.244SC*.Hα-helixtrans-58.3-44.7178.8-69.3177.116100111.7E1021 Q1022 L1027 V1028 H1029E1021-E1025 PolarHBondContact O-N 3.14Å; Q1022-E1025 PolarHBondContact O-N 3.07Å; E1025-L1027 PolarHBondContact O-N 3.21Å; E1025-V1028 PolarHBondContact O-N 3.03Å; E1025-H1029 WeakPolarHBondContact O-CB 3.42Å; E1025-H1029 PolarHBondContact O-N 3.28Å
1026M86.3Confident84.5Confident37 Ų3750.7 Ų50.718%0.18225%0.252CS..Hα-helixtrans-60.4-44.4175.1-69-175.876.200112.5M1 P2 F4 L1002 Q1022 T1024 H1029 N1030M1-M1026 HydrophobicContact CB-SD 4.09Å; M1-M1026 HydrophobicContact CG-SD 4.41Å; M1-M1026 HydrophobicContact SD-SD 4.04Å; P2-M1026 HydrophobicContact CG-CE 4.22Å; P2-M1026 HydrophobicContact CG-SD 4.14Å; P2-M1026 WeakPolarHBondContact O-CE 3.34Å; F4-M1026 HydrophobicContact CE1-CE 4.2Å; F4-M1026 HydrophobicContact CZ-CE 4.08Å; L1002-M1026 HydrophobicContact CD1-CB 4.43Å; L1002-M1026 HydrophobicContact CD2-CB 3.93Å; L1002-M1026 HydrophobicContact CD2-CE 4.13Å; L1002-M1026 HydrophobicContact CD2-SD 4.43Å; Q1022-M1026 WeakPolarHBondContact O-CG 3.31Å; Q1022-M1026 PolarHBondContact O-N 3.34Å; T1024-M1026 VanDerWaalsContact C-N 3.33Å; T1024-M1026 PolarHBondContact O-N 3.33Å; M1026-H1029 PolarHBondContact O-N 3.07Å; M1026-N1030 WeakPolarHBondContact O-CB 3.45Å; M1026-N1030 PolarHBondContact O-N 3.42Å
1027L90.5Very high85.6Confident0 Ų048 Ų480%023%0.233CC..Hα-helixtrans-64.1-42.7178-179.464.3000111.5M937 V941 L999 L1002 K1006 A1023 T1024 E1025 N1030 A1031M937-L1027 HydrophobicContact SD-CD1 4.49Å; V941-L1027 HydrophobicContact CG2-CD2 3.68Å; L999-L1027 HydrophobicContact CD1-CD1 3.64Å; L1002-L1027 HydrophobicContact CB-CB 4.42Å; L1002-L1027 HydrophobicContact CB-CD1 3.79Å; K1006-L1027 HydrophobicContact CB-CD2 4.39Å; K1006-L1027 HydrophobicContact CG-CD2 4.41Å; A1023-L1027 WeakPolarHBondContact O-CB 3.41Å; A1023-L1027 PolarHBondContact O-N 2.99Å; T1024-L1027 PolarHBondContact O-N 3.25Å; E1025-L1027 PolarHBondContact O-N 3.21Å; L1027-N1030 PolarHBondContact O-N 3.39Å; L1027-A1031 VanDerWaalsContact O-CB 3.3Å; L1027-A1031 WeakPolarHBondContact O-CB 3.4Å; L1027-A1031 PolarHBondContact O-N 3.12Å
1028V89.1Confident86.8Confident15 Ų1539.7 Ų39.79%0.09119%0.194CC..Hα-helixtrans-60.7-49.2177.2170.30000110.7N899 P901 M902 T1024 E1025 N1030 A1031 Q1032N899-V1028 WeakPolarHBondContact ND2-CG2 3.23Å; N899-V1028 WeakPolarHBondContact OD1-CG2 3.46Å; P901-V1028 HydrophobicContact CB-CG1 3.59Å; P901-V1028 HydrophobicContact CG-CG1 4.31Å; M902-V1028 HydrophobicContact CG-CB 4.21Å; M902-V1028 HydrophobicContact CG-CG1 4.22Å; M902-V1028 HydrophobicContact CG-CG2 3.82Å; M902-V1028 HydrophobicContact SD-CG2 3.84Å; T1024-V1028 HydrophobicContact CG2-CG2 4.09Å; T1024-V1028 WeakPolarHBondContact O-CB 3.38Å; T1024-V1028 WeakPolarHBondContact O-CG2 3.34Å; T1024-V1028 PolarHBondContact O-N 3.48Å; E1025-V1028 PolarHBondContact O-N 3.03Å; V1028-N1030 PolarHBondContact O-N 3.32Å; V1028-A1031 WeakPolarHBondContact O-CB 3.44Å; V1028-A1031 PolarHBondContact O-N 3.12Å; V1028-Q1032 WeakPolarHBondContact O-CG 3.35Å; V1028-Q1032 PolarHBondContact O-N 3.39Å
1029H86.4Confident88Confident64 Ų6435.5 Ų35.530%0.29617%0.174SC..Hα-helixtrans-64.8-41.4-179.2-168.9-92.1000111.8W253 E1025 M1026 Q1032 N1033W253-H1029 AromaticContact CD1-CE1 3.51Å; W253-H1029 AromaticContact CD1-ND1 3.21Å; W253-H1029 AromaticContact CD2-CE1 3.23Å; W253-H1029 AromaticContact CD2-ND1 3.52Å; W253-H1029 AromaticContact CE2-CE1 3.42Å; W253-H1029 VanDerWaalsContact CE2-CE1 3.42Å; W253-H1029 AromaticContact CE2-ND1 3.19Å; W253-H1029 AromaticContact CE3-CE1 3.76Å; W253-H1029 AromaticContact CG-CE1 3.33Å; W253-H1029 AromaticContact CG-ND1 3.55Å; W253-H1029 AromaticContact CZ2-ND1 3.86Å; W253-H1029 AromaticContact NE1-CE1 3.58Å; W253-H1029 AromaticContact NE1-ND1 3Å; W253-H1029 PolarHBondContact NE1-ND1 2.91Å; E1025-H1029 WeakPolarHBondContact O-CB 3.42Å; E1025-H1029 PolarHBondContact O-N 3.28Å; M1026-H1029 PolarHBondContact O-N 3.07Å; H1029-Q1032 PolarHBondContact O-N 2.9Å; H1029-N1033 PolarHBondContact CE1-ND2 2.91Å; H1029-N1033 PolarHBondContact ND1-ND2 3.47Å; H1029-N1033 PolarHBondContact O-N 3.47Å; H1029-N1033 PolarHBondContact O-ND2 3.41Å
1030N91.3Very high88.7Confident2 Ų234.6 Ų34.61%0.01117%0.17CC..Hα-helixtrans-61.9-43.5174.1178.3-88.5000111.9I995 Q998 L999 L1002 M1026 L1027 V1028 N1033 L1034I995-N1030 WeakPolarHBondContact CG2-ND2 3.47Å; I995-N1030 WeakPolarHBondContact CG2-O 3.32Å; I995-N1030 PolarHBondContact O-ND2 2.71Å; I995-N1030 VanDerWaalsContact O-ND2 3.11Å; I995-N1030 PolarHBondContact O-OD1 3.19Å; Q998-N1030 VanDerWaalsContact CB-ND2 3.29Å; Q998-N1030 WeakPolarHBondContact CB-ND2 3.37Å; Q998-N1030 PolarHBondContact OE1-ND2 2.99Å; L999-N1030 WeakPolarHBondContact CA-OD1 3.49Å; L999-N1030 VanDerWaalsContact CB-OD1 3.29Å; L999-N1030 WeakPolarHBondContact CB-OD1 3.36Å; L999-N1030 WeakPolarHBondContact CD1-OD1 3.48Å; L999-N1030 PolarHBondContact N-OD1 3.29Å; L1002-N1030 HydrophobicContact CD1-CB 3.69Å; M1026-N1030 WeakPolarHBondContact O-CB 3.45Å; M1026-N1030 PolarHBondContact O-N 3.42Å; L1027-N1030 PolarHBondContact O-N 3.39Å; V1028-N1030 PolarHBondContact O-N 3.32Å; N1030-N1033 PolarHBondContact O-N 2.95Å; N1030-L1034 PolarHBondContact O-N 3.44Å
1031A92.8Very high89.4Confident0 Ų033.2 Ų33.20%016%0.16CC..Hα-helixtrans-60.7-45175.400000112.6M902 M934 L999 L1027 V1028 N1033 L1034 M1035M902-A1031 HydrophobicContact CE-CB 4.07Å; M902-A1031 HydrophobicContact CG-CB 4.19Å; M934-A1031 HydrophobicContact CE-CB 3.7Å; M934-A1031 HydrophobicContact SD-CB 3.61Å; L999-A1031 HydrophobicContact CD1-CB 4.45Å; L1027-A1031 VanDerWaalsContact O-CB 3.3Å; L1027-A1031 WeakPolarHBondContact O-CB 3.4Å; L1027-A1031 PolarHBondContact O-N 3.12Å; V1028-A1031 WeakPolarHBondContact O-CB 3.44Å; V1028-A1031 PolarHBondContact O-N 3.12Å; A1031-N1033 VanDerWaalsContact C-N 3.34Å; A1031-N1033 PolarHBondContact O-N 3.14Å; A1031-L1034 PolarHBondContact O-N 3.43Å; A1031-M1035 WeakPolarHBondContact O-CG 3.47Å; A1031-M1035 PolarHBondContact O-N 3.31Å
1032Q89.7Confident90.2Very high74 Ų7427.5 Ų27.535%0.34613%0.134SC..Hα-helixtrans-58-46.1175.2-73.4174.5-41.900111.6A905 V1028 H1029 L1034 M1035 Q1036A905-Q1032 HydrophobicContact CB-CG 4.05Å; V1028-Q1032 WeakPolarHBondContact O-CG 3.35Å; V1028-Q1032 PolarHBondContact O-N 3.39Å; H1029-Q1032 PolarHBondContact O-N 2.9Å; Q1032-L1034 VanDerWaalsContact C-N 3.34Å; Q1032-L1034 PolarHBondContact O-N 2.88Å; Q1032-M1035 PolarHBondContact O-N 2.77Å; Q1032-Q1036 WeakPolarHBondContact O-CB 3.44Å; Q1032-Q1036 PolarHBondContact O-N 3.38Å
1033N89.5Confident90.7Very high30 Ų3027.3 Ų27.316%0.1613%0.13CC..Hα-helixtrans-64.2-37.5178.3-74.3-24.3000112.9W253 I995 H1029 N1030 A1031 S1037W253-N1033 WeakPolarHBondContact CH2-ND2 3.43Å; W253-N1033 WeakPolarHBondContact CZ2-ND2 3.25Å; I995-N1033 HydrophobicContact CD1-CB 4.26Å; I995-N1033 HydrophobicContact CG2-CB 4.46Å; H1029-N1033 PolarHBondContact CE1-ND2 2.91Å; H1029-N1033 PolarHBondContact ND1-ND2 3.47Å; H1029-N1033 PolarHBondContact O-N 3.47Å; H1029-N1033 PolarHBondContact O-ND2 3.41Å; N1030-N1033 PolarHBondContact O-N 2.95Å; A1031-N1033 VanDerWaalsContact C-N 3.34Å; A1031-N1033 PolarHBondContact O-N 3.14Å; N1033-S1037 VanDerWaalsContact O-CB 3.28Å; N1033-S1037 WeakPolarHBondContact O-CB 3.31Å; N1033-S1037 PolarHBondContact O-N 3.12Å; N1033-S1037 PolarHBondContact O-OG 3.1Å
1034L94.9Very high91.1Very high0 Ų029.2 Ų29.20%014%0.137CC..Hα-helixtrans-65-51176.5-174.258.4000110.9M930 M934 I958 I992 I995 L999 N1030 A1031 Q1032 Q1036 S1037 V1038M930-L1034 HydrophobicContact CE-CD1 4.26Å; M930-L1034 HydrophobicContact CE-CD2 4Å; M930-L1034 HydrophobicContact CE-CG 4Å; M934-L1034 HydrophobicContact CE-CD2 4.43Å; I958-L1034 HydrophobicContact CG2-CD2 3.52Å; I992-L1034 HydrophobicContact CG2-CD1 3.96Å; I995-L1034 HydrophobicContact CB-CD1 4.31Å; I995-L1034 HydrophobicContact CG2-CB 3.64Å; I995-L1034 HydrophobicContact CG2-CD1 4.09Å; I995-L1034 HydrophobicContact CG2-CG 4.38Å; L999-L1034 HydrophobicContact CD2-CD2 3.89Å; N1030-L1034 PolarHBondContact O-N 3.44Å; A1031-L1034 PolarHBondContact O-N 3.43Å; Q1032-L1034 VanDerWaalsContact C-N 3.34Å; Q1032-L1034 PolarHBondContact O-N 2.88Å; L1034-Q1036 VanDerWaalsContact C-N 3.3Å; L1034-Q1036 PolarHBondContact O-N 3.16Å; L1034-S1037 PolarHBondContact O-N 2.87Å; L1034-V1038 HydrophobicContact CD1-CG2 4.24Å; L1034-V1038 HydrophobicContact CG-CG2 4.5Å; L1034-V1038 VanDerWaalsContact O-CG2 3.24Å; L1034-V1038 WeakPolarHBondContact O-CG2 3.42Å; L1034-V1038 PolarHBondContact O-N 3.12Å
1035M95.3Very high91.5Very high4 Ų428.2 Ų28.22%0.0213%0.131CC..Hα-helixtrans-60.8-41.6179.9-63-59.592.100111.3A905 L909 M930 M934 A1031 Q1032 K1039A905-M1035 HydrophobicContact CB-CB 4.04Å; A905-M1035 HydrophobicContact CB-CG 3.89Å; L909-M1035 HydrophobicContact CB-CB 4.32Å; L909-M1035 HydrophobicContact CB-SD 4.18Å; L909-M1035 HydrophobicContact CD2-CE 4.06Å; L909-M1035 HydrophobicContact CD2-SD 3.49Å; L909-M1035 WeakPolarHBondContact CD2-SD 3.42Å; L909-M1035 HydrophobicContact CG-SD 4.48Å; M930-M1035 HydrophobicContact CB-CE 4.42Å; M930-M1035 HydrophobicContact CE-CE 3.91Å; M934-M1035 HydrophobicContact CB-CE 4.4Å; M934-M1035 HydrophobicContact CB-SD 3.76Å; M934-M1035 HydrophobicContact CE-CE 3.53Å; M934-M1035 HydrophobicContact CE-CG 4.26Å; M934-M1035 HydrophobicContact CE-SD 4.11Å; M934-M1035 HydrophobicContact CG-CE 4.49Å; M934-M1035 HydrophobicContact CG-CG 4.03Å; M934-M1035 HydrophobicContact CG-SD 3.85Å; A1031-M1035 WeakPolarHBondContact O-CG 3.47Å; A1031-M1035 PolarHBondContact O-N 3.31Å; Q1032-M1035 PolarHBondContact O-N 2.77Å; M1035-K1039 WeakPolarHBondContact O-CB 3.49Å; M1035-K1039 PolarHBondContact O-N 3.11Å
1036Q91Very high91.9Very high56 Ų5625.3 Ų25.326%0.26212%0.117SC..Hα-helixtrans-65.1-44176.5-174.760.830.400112.1Q1032 L1034 V1038 K1039 E1040Q1032-Q1036 WeakPolarHBondContact O-CB 3.44Å; Q1032-Q1036 PolarHBondContact O-N 3.38Å; L1034-Q1036 VanDerWaalsContact C-N 3.3Å; L1034-Q1036 PolarHBondContact O-N 3.16Å; Q1036-V1038 PolarHBondContact O-N 3.17Å; Q1036-K1039 WeakPolarHBondContact O-CB 3.33Å; Q1036-K1039 PolarHBondContact O-N 3.27Å; Q1036-E1040 PolarHBondContact NE2-OE1 3.34Å; Q1036-E1040 WeakPolarHBondContact O-CG 3.47Å; Q1036-E1040 PolarHBondContact O-N 2.98Å
1037S92.7Very high92Very high2 Ų224.9 Ų24.91%0.01412%0.12CC..Hα-helixtrans-66.4-38.9-179.7-58.10000111.9V988 N1033 L1034 T1041V988-S1037 VanDerWaalsContact CG1-O 3.25Å; V988-S1037 WeakPolarHBondContact CG1-O 3.3Å; N1033-S1037 VanDerWaalsContact O-CB 3.28Å; N1033-S1037 WeakPolarHBondContact O-CB 3.31Å; N1033-S1037 PolarHBondContact O-N 3.12Å; N1033-S1037 PolarHBondContact O-OG 3.1Å; L1034-S1037 PolarHBondContact O-N 2.87Å; S1037-T1041 WeakPolarHBondContact O-CB 3.24Å; S1037-T1041 PolarHBondContact O-N 3.47Å; S1037-T1041 PolarHBondContact O-OG1 2.95Å
1038V96.4Very high92Very high0 Ų024.9 Ų24.90%012%0.12CC..Hα-helixtrans-67.1-43.2174.7175.90000110.4L909 A927 M930 V965 I992 L1034 Q1036 E1040 T1041 V1042L909-V1038 HydrophobicContact CD1-CB 4.12Å; L909-V1038 HydrophobicContact CD1-CG1 3.7Å; L909-V1038 HydrophobicContact CD2-CB 4.31Å; L909-V1038 HydrophobicContact CD2-CG1 3.99Å; A927-V1038 HydrophobicContact CB-CG1 4.18Å; M930-V1038 HydrophobicContact CE-CG2 3.57Å; M930-V1038 HydrophobicContact SD-CG1 4.16Å; M930-V1038 HydrophobicContact SD-CG2 3.97Å; V965-V1038 HydrophobicContact CG1-CG1 4.32Å; V965-V1038 HydrophobicContact CG2-CG1 4.35Å; I992-V1038 HydrophobicContact CD1-CG2 3.97Å; I992-V1038 HydrophobicContact CG1-CG2 4.37Å; L1034-V1038 HydrophobicContact CD1-CG2 4.24Å; L1034-V1038 HydrophobicContact CG-CG2 4.5Å; L1034-V1038 VanDerWaalsContact O-CG2 3.24Å; L1034-V1038 WeakPolarHBondContact O-CG2 3.42Å; L1034-V1038 PolarHBondContact O-N 3.12Å; Q1036-V1038 PolarHBondContact O-N 3.17Å; V1038-E1040 PolarHBondContact O-N 3.49Å; V1038-T1041 WeakPolarHBondContact O-CB 3.38Å; V1038-T1041 PolarHBondContact O-N 3.47Å; V1038-V1042 WeakPolarHBondContact O-CG2 3.18Å; V1038-V1042 PolarHBondContact O-N 3.41Å
1039K94.1Very high91.9Very high9 Ų925.4 Ų25.44%0.03912%0.124CC..Hα-helixtrans-58.7-47.4176.8177.8178.4-179.4151.90112.2E501 Q908 L909 E912 M1035 Q1036 T1041 V1042 R1043E501-K1039 VanDerWaalsContact OE1-CE 3.26Å; E501-K1039 WeakPolarHBondContact OE1-CE 3.49Å; E501-K1039 IonicContact OE1-NZ 3.48Å; E501-K1039 PolarHBondContact OE1-NZ 3.42Å; E501-K1039 IonicContact OE2-NZ 2.71Å; Q908-K1039 PolarHBondContact O-NZ 3.45Å; L909-K1039 HydrophobicContact CD1-CB 4.01Å; E912-K1039 HydrophobicContact CB-CD 4.28Å; E912-K1039 HydrophobicContact CB-CG 3.91Å; E912-K1039 HydrophobicContact CG-CG 3.91Å; E912-K1039 WeakPolarHBondContact OE2-CE 3.33Å; E912-K1039 IonicContact OE2-NZ 2.78Å; M1035-K1039 WeakPolarHBondContact O-CB 3.49Å; M1035-K1039 PolarHBondContact O-N 3.11Å; Q1036-K1039 WeakPolarHBondContact O-CB 3.33Å; Q1036-K1039 PolarHBondContact O-N 3.27Å; K1039-T1041 VanDerWaalsContact C-N 3.33Å; K1039-V1042 PolarHBondContact O-N 3.03Å; K1039-R1043 PolarHBondContact O-N 3.4Å
1040E91.1Very high91.9Very high57 Ų5728.2 Ų28.227%0.26614%0.14SC..Hα-helixtrans-62.9-40.9175.3-74.5171.6-169.200111V988 Q1036 V1038 V1042 R1043 E1044V988-E1040 HydrophobicContact CG1-CB 3.54Å; V988-E1040 HydrophobicContact CG2-CB 4.4Å; Q1036-E1040 PolarHBondContact NE2-OE1 3.34Å; Q1036-E1040 WeakPolarHBondContact O-CG 3.47Å; Q1036-E1040 PolarHBondContact O-N 2.98Å; V1038-E1040 PolarHBondContact O-N 3.49Å; E1040-V1042 VanDerWaalsContact C-N 3.32Å; E1040-V1042 PolarHBondContact O-N 2.94Å; E1040-R1043 PolarHBondContact O-N 2.97Å; E1040-R1043 VanDerWaalsContact O-N 3.15Å; E1040-E1044 WeakPolarHBondContact O-CG 3.4Å; E1040-E1044 PolarHBondContact O-N 2.61Å
1041T95.1Very high91.5Very high0 Ų032.6 Ų32.60%016%0.159CC..Hα-helixtrans-60.4-39.7175.6-60.70000112.2V965 A969 L985 V988 C989 I992 S1037 V1038 K1039 A1045V965-T1041 HydrophobicContact CG1-CG2 3.9Å; A969-T1041 HydrophobicContact CB-CG2 3.45Å; A969-T1041 VanDerWaalsContact CB-CG2 3.45Å; L985-T1041 HydrophobicContact CD1-CG2 4Å; V988-T1041 WeakPolarHBondContact CG1-OG1 3.33Å; C989-T1041 HydrophobicContact CB-CG2 3.85Å; I992-T1041 HydrophobicContact CD1-CG2 4.47Å; S1037-T1041 WeakPolarHBondContact O-CB 3.24Å; S1037-T1041 PolarHBondContact O-N 3.47Å; S1037-T1041 PolarHBondContact O-OG1 2.95Å; V1038-T1041 WeakPolarHBondContact O-CB 3.38Å; V1038-T1041 PolarHBondContact O-N 3.47Å; K1039-T1041 VanDerWaalsContact C-N 3.33Å; T1041-A1045 WeakPolarHBondContact O-CB 3.32Å; T1041-A1045 PolarHBondContact O-N 2.65Å
1042V94.8Very high91Very high0 Ų034.3 Ų34.30%017%0.168CC..Hα-helixtrans-60.4-45.4174.7170.60000110.9I923 I924 A927 V1038 K1039 E1040 E1046 W1062I923-V1042 HydrophobicContact CG2-CG2 3.93Å; I924-V1042 HydrophobicContact CD1-CG1 3.59Å; A927-V1042 HydrophobicContact CB-CG2 4.04Å; V1038-V1042 WeakPolarHBondContact O-CG2 3.18Å; V1038-V1042 PolarHBondContact O-N 3.41Å; K1039-V1042 PolarHBondContact O-N 3.03Å; E1040-V1042 VanDerWaalsContact C-N 3.32Å; E1040-V1042 PolarHBondContact O-N 2.94Å; V1042-E1046 PolarHBondContact O-N 3.4Å; V1042-E1046 VanDerWaalsContact O-N 3.11Å; V1042-W1062 HydrophobicContact CG1-CH2 4.11Å; V1042-W1062 HydrophobicContact CG1-CZ3 4.09Å; V1042-W1062 VanDerWaalsContact O-CH2 3.26Å; V1042-W1062 WeakPolarHBondContact O-CH2 3.39Å
1043R91.3Very high90.2Very high76 Ų7636.9 Ų36.929%0.28718%0.175SC..Hα-helixtrans-66.4-47.4179.5-69.8-178.9176.1165.61.3112.2E501 E912 K1039 E1040 A1045 E1046 A1047E501-R1043 IonicContact OE1-NH2 3.92Å; E501-R1043 IonicContact OE2-CZ 3.97Å; E501-R1043 VanDerWaalsContact OE2-CZ 3.27Å; E501-R1043 IonicContact OE2-NH1 2.83Å; E501-R1043 PolarHBondContact OE2-NH1 2.95Å; E501-R1043 IonicContact OE2-NH2 3.64Å; E501-R1043 PolarHBondContact OE2-NH2 3.39Å; E912-R1043 VanDerWaalsContact CD-NE 3.33Å; E912-R1043 HydrophobicContact CG-CG 4.33Å; E912-R1043 IonicContact OE1-NE 3.77Å; E912-R1043 PolarHBondContact OE1-NE 3.02Å; E912-R1043 IonicContact OE2-CZ 3.73Å; E912-R1043 IonicContact OE2-NE 3.46Å; E912-R1043 PolarHBondContact OE2-NE 3.3Å; E912-R1043 IonicContact OE2-NH2 2.75Å; E912-R1043 PolarHBondContact OE2-NH2 3.47Å; K1039-R1043 PolarHBondContact O-N 3.4Å; E1040-R1043 PolarHBondContact O-N 2.97Å; E1040-R1043 VanDerWaalsContact O-N 3.15Å; R1043-A1045 VanDerWaalsContact C-N 3.33Å; R1043-A1045 PolarHBondContact O-N 2.93Å; R1043-E1046 PolarHBondContact O-N 3.43Å; R1043-A1047 PolarHBondContact O-N 3.19Å
1044E91.4Very high88.8Confident49 Ų4941.2 Ų41.223%0.22920%0.202CC..Hα-helixtrans-68.2-32.8-179.9-67-64150.500111.8L985 E1040 A1047 A1048L985-E1044 HydrophobicContact CB-CB 4.06Å; L985-E1044 HydrophobicContact CD1-CB 3.77Å; L985-E1044 HydrophobicContact CG-CB 4.46Å; E1040-E1044 WeakPolarHBondContact O-CG 3.4Å; E1040-E1044 PolarHBondContact O-N 2.61Å; E1044-A1047 PolarHBondContact O-N 3.09Å; E1044-A1048 VanDerWaalsContact O-CB 3.23Å; E1044-A1048 WeakPolarHBondContact O-CB 3.01Å; E1044-A1048 PolarHBondContact O-N 3.28Å
1045A93.4Very high87.3Confident0 Ų046.4 Ų46.40%023%0.23CC..Hα-helixtrans-68.3-36.4174.100000112.2I923 V972 L985 T1041 R1043 S1049 W1062I923-A1045 HydrophobicContact CD1-CB 4.01Å; V972-A1045 HydrophobicContact CG1-CB 4.41Å; L985-A1045 HydrophobicContact CD1-CB 4.22Å; L985-A1045 HydrophobicContact CD2-CB 4.42Å; T1041-A1045 WeakPolarHBondContact O-CB 3.32Å; T1041-A1045 PolarHBondContact O-N 2.65Å; R1043-A1045 VanDerWaalsContact C-N 3.33Å; R1043-A1045 PolarHBondContact O-N 2.93Å; A1045-S1049 WeakPolarHBondContact O-CB 3.31Å; A1045-S1049 PolarHBondContact O-N 2.95Å; A1045-S1049 VanDerWaalsContact O-N 3.09Å; A1045-W1062 HydrophobicContact CB-CH2 4.3Å; A1045-W1062 HydrophobicContact CB-CZ2 3.9Å
1046E92.1Very high85.8Confident56 Ų5647.6 Ų47.626%0.26224%0.24SC..Hα-helixtrans-66.5-47.8172.3-175.7-103.317500111.4W916 V1042 R1043 A1048 S1049 W1062W916-E1046 HydrophobicContact CH2-CG 3.59Å; W916-E1046 WeakPolarHBondContact CH2-OE1 3.49Å; W916-E1046 HydrophobicContact CZ2-CB 4.46Å; W916-E1046 HydrophobicContact CZ2-CG 3.69Å; W916-E1046 HydrophobicContact CZ3-CG 4.35Å; V1042-E1046 PolarHBondContact O-N 3.4Å; V1042-E1046 VanDerWaalsContact O-N 3.11Å; R1043-E1046 PolarHBondContact O-N 3.43Å; E1046-A1048 VanDerWaalsContact C-N 3.32Å; E1046-A1048 PolarHBondContact O-N 2.95Å; E1046-S1049 VanDerWaalsContact O-CB 3.32Å; E1046-S1049 WeakPolarHBondContact O-CB 3.25Å; E1046-S1049 PolarHBondContact O-N 3.2Å; E1046-S1049 PolarHBondContact O-OG 2.61Å; E1046-W1062 HydrophobicContact CB-CD2 3.87Å; E1046-W1062 HydrophobicContact CB-CE3 3.65Å; E1046-W1062 HydrophobicContact CB-CH2 3.81Å; E1046-W1062 HydrophobicContact CB-CZ2 4.01Å; E1046-W1062 HydrophobicContact CB-CZ3 3.62Å; E1046-W1062 HydrophobicContact CG-CD2 3.84Å; E1046-W1062 HydrophobicContact CG-CE3 3.66Å; E1046-W1062 HydrophobicContact CG-CG 4.25Å; E1046-W1062 HydrophobicContact CG-CZ3 4.13Å
1047A89.1Confident84.3Confident29 Ų2949 Ų4924%0.2427%0.27CS..Hα-helixtrans-57.7-44.6176.200000112I981 R1043 E1044 S1049 I1050I981-A1047 HydrophobicContact CG2-CB 4.3Å; R1043-A1047 PolarHBondContact O-N 3.19Å; E1044-A1047 PolarHBondContact O-N 3.09Å; A1047-S1049 PolarHBondContact O-N 2.95Å; A1047-I1050 PolarHBondContact O-N 2.77Å
1048A90.2Very high83.1Confident0 Ų052.1 Ų52.10%028%0.284CS..Hα-helixtrans-62.6-30.1175.900000112.6V972 C976 I981 L985 E1044 E1046 I1050 K1051V972-A1048 HydrophobicContact CG1-CB 3.69Å; C976-A1048 HydrophobicContact CB-CB 4.17Å; I981-A1048 HydrophobicContact CG2-CB 3.76Å; L985-A1048 HydrophobicContact CD2-CB 4.01Å; E1044-A1048 VanDerWaalsContact O-CB 3.23Å; E1044-A1048 WeakPolarHBondContact O-CB 3.01Å; E1044-A1048 PolarHBondContact O-N 3.28Å; E1046-A1048 VanDerWaalsContact C-N 3.32Å; E1046-A1048 PolarHBondContact O-N 2.95Å; A1048-I1050 PolarHBondContact O-N 2.87Å; A1048-K1051 CarbonylContact O-C 3.59Å; A1048-K1051 PolarHBondContact O-N 3.47Å; A1048-K1051 VanDerWaalsContact O-N 3.12Å
1049S87.5Confident82.1Confident26 Ų2655.9 Ų55.918%0.18231%0.306CS..Hα-helixtrans-66-23.1-177.579.90000114A1045 E1046 A1047 K1051 I1052 W1062A1045-S1049 WeakPolarHBondContact O-CB 3.31Å; A1045-S1049 PolarHBondContact O-N 2.95Å; A1045-S1049 VanDerWaalsContact O-N 3.09Å; E1046-S1049 VanDerWaalsContact O-CB 3.32Å; E1046-S1049 WeakPolarHBondContact O-CB 3.25Å; E1046-S1049 PolarHBondContact O-N 3.2Å; E1046-S1049 PolarHBondContact O-OG 2.61Å; A1047-S1049 PolarHBondContact O-N 2.95Å; S1049-K1051 VanDerWaalsContact C-N 3.31Å; S1049-I1052 WeakPolarHBondContact O-CD1 3.47Å; S1049-I1052 WeakPolarHBondContact O-CG1 3.44Å; S1049-W1062 VanDerWaalsContact CB-CD1 3.48Å; S1049-W1062 VanDerWaalsContact OG-CD1 3.22Å
1050I85.4Confident81.4Confident123 Ų12356 Ų5663%0.63131%0.307SS*.THydrogen-bonded Turntrans-73.6-26.5177.5-57170.8000111.1A1047 A1048A1047-I1050 PolarHBondContact O-N 2.77Å; A1048-I1050 PolarHBondContact O-N 2.87Å
1051K83.4Confident81Confident94 Ų9458.4 Ų58.441%0.40932%0.318SS..THydrogen-bonded Turntrans-113.747.5-175.6-63.6-63.8-173.4178.90111.4C976 T977 D978 I981 A1048 S1049C976-K1051 CarbonylContact C-O 3.03Å; C976-K1051 WeakPolarHBondContact CA-O 3.4Å; T977-K1051 PolarHBondContact N-O 2.83Å; T977-K1051 PolarHBondContact OG1-O 3.2Å; T977-K1051 VanDerWaalsContact OG1-O 3.06Å; D978-K1051 HydrophobicContact CB-CB 4.18Å; D978-K1051 HydrophobicContact CB-CG 4.34Å; I981-K1051 HydrophobicContact CD1-CG 4.5Å; A1048-K1051 CarbonylContact O-C 3.59Å; A1048-K1051 PolarHBondContact O-N 3.47Å; A1048-K1051 VanDerWaalsContact O-N 3.12Å; S1049-K1051 VanDerWaalsContact C-N 3.31Å
1052I81.9Confident80.6Confident35 Ų3560.3 Ų60.318%0.17933%0.326CS..BIsolated β-bridgetrans-86.4147.6176.9-68.6173.8000110.5Q975 S1049 A1056 T1059Q975-I1052 HydrophobicContact CB-CG2 4.24Å; S1049-I1052 WeakPolarHBondContact O-CD1 3.47Å; S1049-I1052 WeakPolarHBondContact O-CG1 3.44Å; I1052-A1056 HydrophobicContact CG2-CB 3.2Å; I1052-T1059 HydrophobicContact CD1-CG2 3.99Å
1053R72.9Confident80.1Confident129 Ų12962.9 Ų62.949%0.48734%0.341SS..  trans-54.5140171.9-71.9174.154.7157-1.4112.4Q975 T977 D1055 A1056Q975-R1053 PolarHBondContact O-N 3.07Å; Q975-R1053 VanDerWaalsContact O-N 3.12Å; T977-R1053 HydrophobicContact CG2-CB 4.28Å; T977-R1053 HydrophobicContact CG2-CG 3.49Å; T977-R1053 VanDerWaalsContact CG2-CG 3.49Å; R1053-D1055 WeakPolarHBondContact CB-OD1 3.44Å; R1053-D1055 IonicContact CZ-OD1 3.85Å; R1053-D1055 IonicContact CZ-OD2 2.57Å; R1053-D1055 IonicContact NE-OD1 3.4Å; R1053-D1055 PolarHBondContact NE-OD1 2.99Å; R1053-D1055 IonicContact NE-OD2 3.94Å; R1053-D1055 IonicContact NH2-OD1 2.79Å; R1053-D1055 PolarHBondContact NH2-OD1 3.41Å; R1053-D1055 IonicContact NH2-OD2 2.99Å; R1053-D1055 PolarHBondContact NH2-OD2 2.73Å; R1053-D1055 PolarHBondContact O-N 3.22Å; R1053-D1055 VanDerWaalsContact O-N 3.12Å; R1053-A1056 HydrophobicContact CB-CB 4.34Å; R1053-A1056 WeakPolarHBondContact O-CB 3.5Å; R1053-A1056 PolarHBondContact O-N 3.4Å
1054T61.8Low79.9Confident120 Ų12065.4 Ų65.474%0.73635%0.351SS*.THydrogen-bonded Turntrans-63.6-17.7-179.4380000114.8
1055D62.8Low79.3Confident109 Ų10966.3 Ų66.358%0.58335%0.354SS*.THydrogen-bonded Turntrans-104.811.2176.465.5-28.6000113.7R1053 G1057R1053-D1055 WeakPolarHBondContact CB-OD1 3.44Å; R1053-D1055 IonicContact CZ-OD1 3.85Å; R1053-D1055 IonicContact CZ-OD2 2.57Å; R1053-D1055 IonicContact NE-OD1 3.4Å; R1053-D1055 PolarHBondContact NE-OD1 2.99Å; R1053-D1055 IonicContact NE-OD2 3.94Å; R1053-D1055 IonicContact NH2-OD1 2.79Å; R1053-D1055 PolarHBondContact NH2-OD1 3.41Å; R1053-D1055 IonicContact NH2-OD2 2.99Å; R1053-D1055 PolarHBondContact NH2-OD2 2.73Å; R1053-D1055 PolarHBondContact O-N 3.22Å; R1053-D1055 VanDerWaalsContact O-N 3.12Å; D1055-G1057 PolarHBondContact O-N 3.13Å
1056A62.5Low78.5Confident29 Ų2968.1 Ų68.124%0.2437%0.365CS..  trans-67.4125.6-17600000112.4I1052 R1053I1052-A1056 HydrophobicContact CG2-CB 3.2Å; R1053-A1056 HydrophobicContact CB-CB 4.34Å; R1053-A1056 WeakPolarHBondContact O-CB 3.5Å; R1053-A1056 PolarHBondContact O-N 3.4Å
1057G59.9Low77.4Confident86 Ų8670.5 Ų70.589%0.88739%0.385SS*.SBendtrans-86.9-6179.100000115.5D1055D1055-G1057 PolarHBondContact O-N 3.13Å
1058F68.8Low76.3Confident68 Ų6879 Ų7930%0.29841%0.411SS..  trans-128118-179.6170.2-83.7000110.1L968 E971 V972 Q975 L1060L968-F1058 HydrophobicContact CD2-CE2 4.36Å; L968-F1058 HydrophobicContact CD2-CZ 3.73Å; E971-F1058 HydrophobicContact CB-CE1 4.32Å; E971-F1058 HydrophobicContact CG-CD1 3.79Å; E971-F1058 HydrophobicContact CG-CE1 4.04Å; E971-F1058 HydrophobicContact CG-CG 4.29Å; V972-F1058 HydrophobicContact CG2-CE1 4.48Å; Q975-F1058 PolarHBondContact OE1-O 3.2Å; F1058-L1060 HydrophobicContact CE1-CD2 4.32Å; F1058-L1060 HydrophobicContact CE1-CG 4.04Å; F1058-L1060 HydrophobicContact CZ-CD2 3.84Å; F1058-L1060 HydrophobicContact CZ-CG 4.09Å
1059T73.8Confident74.9Confident78 Ų7883.3 Ų83.348%0.47943%0.428SS..  trans-140.6121.5-179.9-490000109.3I1052 H1061I1052-T1059 HydrophobicContact CD1-CG2 3.99Å; T1059-H1061 PolarHBondContact O-ND1 3.33Å
1060L80.5Confident73.5Confident12 Ų1286.7 Ų86.76%0.06344%0.441CS..  trans-73.8142.2173.5-64.8170.9000109.7I923 V972 F1058 W1062I923-L1060 HydrophobicContact CB-CD1 4.36Å; I923-L1060 HydrophobicContact CD1-CD1 3.3Å; I923-L1060 HydrophobicContact CG1-CD1 3.63Å; V972-L1060 HydrophobicContact CG2-CD1 3.72Å; V972-L1060 HydrophobicContact CG2-CG 4.48Å; F1058-L1060 HydrophobicContact CE1-CD2 4.32Å; F1058-L1060 HydrophobicContact CE1-CG 4.04Å; F1058-L1060 HydrophobicContact CZ-CD2 3.84Å; F1058-L1060 HydrophobicContact CZ-CG 4.09Å; L1060-W1062 VanDerWaalsContact O-CD1 3.3Å; L1060-W1062 PolarHBondContact O-N 3.47Å
1061H82.8Confident72.9Confident107 Ų10784.9 Ų84.950%0.49543%0.432SS..  trans-85107.1-178.2-66.911.6000110.4G920 N921 T1059 V1063G920-H1061 PolarHBondContact O-N 2.83Å; N921-H1061 WeakPolarHBondContact CB-O 3.48Å; N921-H1061 PolarHBondContact ND2-O 3.34Å; T1059-H1061 PolarHBondContact O-ND1 3.33Å; H1061-V1063 PolarHBondContact O-N 3.27Å
1062W86.2Confident72.4Confident41 Ų4184.4 Ų84.416%0.15543%0.433CS..  trans-9687.5177.7-6797.5000110.3W916 I924 V1042 A1045 E1046 S1049 L1060W916-W1062 AromaticContact CD2-CE3 3.79Å; W916-W1062 HydrophobicContact CD2-CE3 3.79Å; W916-W1062 HydrophobicContact CD2-CZ3 4.17Å; W916-W1062 HydrophobicContact CE3-CB 4.42Å; W916-W1062 AromaticContact CE3-CE3 3.92Å; W916-W1062 HydrophobicContact CE3-CE3 3.92Å; W916-W1062 HydrophobicContact CG-CE3 4.2Å; W916-W1062 HydrophobicContact CG-CZ3 4.23Å; W916-W1062 HydrophobicContact CH2-CE3 4.47Å; W916-W1062 HydrophobicContact CZ2-CE3 4.36Å; W916-W1062 HydrophobicContact CZ3-CB 4.2Å; W916-W1062 HydrophobicContact CZ3-CE3 4.26Å; I924-W1062 HydrophobicContact CD1-CH2 4.31Å; I924-W1062 HydrophobicContact CD1-CZ3 3.87Å; I924-W1062 HydrophobicContact CG1-CZ3 4.19Å; V1042-W1062 HydrophobicContact CG1-CH2 4.11Å; V1042-W1062 HydrophobicContact CG1-CZ3 4.09Å; V1042-W1062 VanDerWaalsContact O-CH2 3.26Å; V1042-W1062 WeakPolarHBondContact O-CH2 3.39Å; A1045-W1062 HydrophobicContact CB-CH2 4.3Å; A1045-W1062 HydrophobicContact CB-CZ2 3.9Å; E1046-W1062 HydrophobicContact CB-CD2 3.87Å; E1046-W1062 HydrophobicContact CB-CE3 3.65Å; E1046-W1062 HydrophobicContact CB-CH2 3.81Å; E1046-W1062 HydrophobicContact CB-CZ2 4.01Å; E1046-W1062 HydrophobicContact CB-CZ3 3.62Å; E1046-W1062 HydrophobicContact CG-CD2 3.84Å; E1046-W1062 HydrophobicContact CG-CE3 3.66Å; E1046-W1062 HydrophobicContact CG-CG 4.25Å; E1046-W1062 HydrophobicContact CG-CZ3 4.13Å; S1049-W1062 VanDerWaalsContact CB-CD1 3.48Å; S1049-W1062 VanDerWaalsContact OG-CD1 3.22Å; L1060-W1062 VanDerWaalsContact O-CD1 3.3Å; L1060-W1062 PolarHBondContact O-N 3.47Å
1063V85.2Confident71.9Confident53 Ų5387.2 Ų87.232%0.32145%0.447SS..  trans-117.8127.2178.4-174.60000109.8W916 S917 H1061 Y1069W916-V1063 WeakPolarHBondContact CA-O 3.43Å; S917-V1063 PolarHBondContact N-O 2.87Å; H1061-V1063 PolarHBondContact O-N 3.27Å; V1063-Y1069 HydrophobicContact CB-CD1 4.18Å; V1063-Y1069 HydrophobicContact CB-CE1 3.84Å; V1063-Y1069 HydrophobicContact CG1-CD1 3.56Å; V1063-Y1069 HydrophobicContact CG1-CE1 3.62Å; V1063-Y1069 HydrophobicContact CG1-CG 4.1Å; V1063-Y1069 HydrophobicContact CG2-CE1 4.23Å
1064R85.6Confident71.8Confident130 Ų13084.7 Ų84.749%0.49145%0.445SS..BIsolated β-bridgetrans-64134.6174.5-73.3-69.3-160.5-161.2-2110K915 W916 T1066K915-R1064 WeakPolarHBondContact O-CA 3.32Å; K915-R1064 WeakPolarHBondContact O-CD 3.27Å; W916-R1064 HydrophobicContact CE3-CG 4.48Å; W916-R1064 VanDerWaalsContact CZ2-NH1 3.25Å; W916-R1064 HydrophobicContact CZ3-CG 4.15Å; R1064-T1066 PolarHBondContact O-N 2.97Å
1065K79.4Confident72.4Confident68 Ų6882.5 Ų82.530%0.29643%0.426SS..  trans-67.6127.4176-165.5167.8-179.4158.60109.7D886 K915 Q1070D886-K1065 IonicContact OD2-NZ 3.1Å; D886-K1065 PolarHBondContact OD2-NZ 3.28Å; K915-K1065 PolarHBondContact O-N 3.44Å; K1065-Q1070 WeakPolarHBondContact CE-OXT 3.3Å; K1065-Q1070 PolarHBondContact NZ-OXT 3.34Å
1066T77.4Confident73.1Confident37 Ų3780.7 Ų80.723%0.22742%0.416CS..BIsolated β-bridgetrans-132.9163.3179.454.10000109.3R1064 W1068 Y1069R1064-T1066 PolarHBondContact O-N 2.97Å; T1066-W1068 HydrophobicContact CG2-CH2 4.27Å; T1066-W1068 HydrophobicContact CG2-CZ2 3.7Å; T1066-W1068 PolarHBondContact O-N 2.96Å; T1066-W1068 VanDerWaalsContact OG1-CE2 3.29Å; T1066-W1068 PolarHBondContact OG1-NE1 2.8Å; T1066-W1068 VanDerWaalsContact OG1-NE1 3.14Å; T1066-Y1069 PolarHBondContact N-O 2.85Å; T1066-Y1069 VanDerWaalsContact N-O 3.15Å; T1066-Y1069 CarbonylContact O-C 3.58Å; T1066-Y1069 VanDerWaalsContact O-C 3.24Å; T1066-Y1069 PolarHBondContact O-N 2.92Å; T1066-Y1069 VanDerWaalsContact O-O 3.12Å; T1066-Y1069 VanDerWaalsContact OG1-CB 3.27Å; T1066-Y1069 WeakPolarHBondContact OG1-CB 3.36Å; T1066-Y1069 PolarHBondContact OG1-N 2.72Å
1067P68.5Low73.8Confident106 Ų10684.4 Ų84.469%0.68843%0.428SS*.THydrogen-bonded Turntrans-53.1-28.8178.5-28.334.9000114.5
1068W66.3Low74.9Confident207 Ų20784.3 Ų84.378%0.78439%0.393SS*.THydrogen-bonded Turntrans-98.9-6.4178.95488.8000114.2T1066T1066-W1068 HydrophobicContact CG2-CH2 4.27Å; T1066-W1068 HydrophobicContact CG2-CZ2 3.7Å; T1066-W1068 PolarHBondContact O-N 2.96Å; T1066-W1068 VanDerWaalsContact OG1-CE2 3.29Å; T1066-W1068 PolarHBondContact OG1-NE1 2.8Å; T1066-W1068 VanDerWaalsContact OG1-NE1 3.14Å
1069Y59.7Low75.4Confident92 Ų9285.7 Ų85.736%0.36140%0.401SS..BIsolated β-bridgetrans-131.379.4176.4-151.5-88.5000108.7V1063 T1066V1063-Y1069 HydrophobicContact CB-CD1 4.18Å; V1063-Y1069 HydrophobicContact CB-CE1 3.84Å; V1063-Y1069 HydrophobicContact CG1-CD1 3.56Å; V1063-Y1069 HydrophobicContact CG1-CE1 3.62Å; V1063-Y1069 HydrophobicContact CG1-CG 4.1Å; V1063-Y1069 HydrophobicContact CG2-CE1 4.23Å; T1066-Y1069 PolarHBondContact N-O 2.85Å; T1066-Y1069 VanDerWaalsContact N-O 3.15Å; T1066-Y1069 CarbonylContact O-C 3.58Å; T1066-Y1069 VanDerWaalsContact O-C 3.24Å; T1066-Y1069 PolarHBondContact O-N 2.92Å; T1066-Y1069 VanDerWaalsContact O-O 3.12Å; T1066-Y1069 VanDerWaalsContact OG1-CB 3.27Å; T1066-Y1069 WeakPolarHBondContact OG1-CB 3.36Å; T1066-Y1069 PolarHBondContact OG1-N 2.72Å
1070Q59.8Low75.6Confident97 Ų9786.4 Ų86.445%0.45339%0.394SS..  trans-79.90-177.7-66.7-120.7-1100112.9K919 K1065K919-Q1070 WeakPolarHBondContact CE-O 3.41Å; K919-Q1070 PolarHBondContact NZ-O 3.34Å; K1065-Q1070 WeakPolarHBondContact CE-OXT 3.3Å; K1065-Q1070 PolarHBondContact NZ-OXT 3.34Å

Retrieved 1,070 of 1,070 residues in 359.1 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).