A0A077ZEY9_TRITR Loading...

HOOK domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZEY9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 703 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
1M58.6Low83.7Confident127 Ų12762.3 Ų62.363%0.62631%0.314SS*.  0145.60-84.1171.515500107.4V6M1-V6 HydrophobicContact CB-CG2 3.66Å; M1-V6 HydrophobicContact SD-CG2 4.27Å
2D76.7Confident84Confident106 Ų10665.3 Ų65.357%0.56732%0.324SS*.  trans-65149.1170.2-155.6-19.1000109.2E4 D5 V6D2-E4 PolarHBondContact O-N 3.4Å; D2-D5 WeakPolarHBondContact O-CB 3.44Å; D2-D5 PolarHBondContact O-N 3.32Å; D2-D5 VanDerWaalsContact O-N 3.1Å; D2-V6 PolarHBondContact O-N 2.78Å; D2-V6 VanDerWaalsContact O-N 3.13Å
3M80.9Confident84.5Confident77 Ų7760.3 Ų60.338%0.37930%0.299SS..Hα-helixtrans-61.1-32.6-179.5-81.5-73.6-78.300111.7F7 P109 V112M3-F7 WeakPolarHBondContact O-CB 3.43Å; M3-F7 PolarHBondContact O-N 2.97Å; M3-P109 HydrophobicContact CE-CB 3.45Å; M3-P109 VanDerWaalsContact CE-CB 3.45Å; M3-P109 HydrophobicContact CE-CG 3.79Å; M3-V112 HydrophobicContact CE-CB 4.16Å; M3-V112 HydrophobicContact CE-CG1 4.49Å; M3-V112 HydrophobicContact CE-CG2 4.22Å; M3-V112 HydrophobicContact SD-CG1 4.49Å
4E84.9Confident84.9Confident115 Ų11556.1 Ų56.154%0.53728%0.278SS..Hα-helixtrans-64.6-42175-145.6109.7-148.800111.6D2 F7 Q8D2-E4 PolarHBondContact O-N 3.4Å; E4-F7 PolarHBondContact O-N 3.11Å; E4-Q8 VanDerWaalsContact O-CG 3.27Å; E4-Q8 WeakPolarHBondContact O-CG 3.47Å; E4-Q8 PolarHBondContact O-N 3.43Å
5D85.6Confident85.1Confident90 Ų9053.7 Ų53.748%0.48127%0.271SS..Hα-helixtrans-65.8-43.1178.1-67.5-30.8000111.6D2 F7 Q8 C9D2-D5 WeakPolarHBondContact O-CB 3.44Å; D2-D5 PolarHBondContact O-N 3.32Å; D2-D5 VanDerWaalsContact O-N 3.1Å; D5-F7 VanDerWaalsContact C-N 3.34Å; D5-Q8 PolarHBondContact O-N 3.18Å; D5-C9 PolarHBondContact O-N 3.37Å; D5-C9 PolarHBondContact O-SG 3.32Å
6V87.4Confident85.2Confident18 Ų1855.4 Ų55.411%0.10928%0.276CS..Hα-helixtrans-60.7-46.7175.6175.50000109.8M1 D2 Q8 C9 L10 V112 T145M1-V6 HydrophobicContact CB-CG2 3.66Å; M1-V6 HydrophobicContact SD-CG2 4.27Å; D2-V6 PolarHBondContact O-N 2.78Å; D2-V6 VanDerWaalsContact O-N 3.13Å; V6-Q8 PolarHBondContact O-N 3.08Å; V6-C9 PolarHBondContact O-N 2.95Å; V6-L10 HydrophobicContact CG1-CD1 3.8Å; V6-L10 HydrophobicContact CG1-CG 4.43Å; V6-L10 WeakPolarHBondContact O-CB 3.38Å; V6-L10 VanDerWaalsContact O-CG 3.26Å; V6-L10 WeakPolarHBondContact O-CG 3.48Å; V6-L10 PolarHBondContact O-N 2.78Å; V6-V112 HydrophobicContact CG1-CG1 3.72Å; V6-T145 HydrophobicContact CB-CG2 4.35Å; V6-T145 HydrophobicContact CG1-CG2 3.87Å; V6-T145 HydrophobicContact CG2-CG2 4.45Å
7F89.7Confident85.4Confident18 Ų1852.8 Ų52.88%0.07926%0.264CS..Hα-helixtrans-60.1-44.5177.4177.2-99.9000112.5M3 E4 D5 L10 C11 L26 L29 L108 L111 V112 M115M3-F7 WeakPolarHBondContact O-CB 3.43Å; M3-F7 PolarHBondContact O-N 2.97Å; E4-F7 PolarHBondContact O-N 3.11Å; D5-F7 VanDerWaalsContact C-N 3.34Å; F7-L10 PolarHBondContact O-N 2.89Å; F7-C11 VanDerWaalsContact CE1-SG 3.58Å; F7-C11 VanDerWaalsContact CZ-SG 3.58Å; F7-C11 WeakPolarHBondContact O-CB 3.48Å; F7-C11 PolarHBondContact O-N 3.15Å; F7-C11 PolarHBondContact O-SG 3.21Å; F7-L26 HydrophobicContact CZ-CD1 3.88Å; F7-L29 HydrophobicContact CE2-CD1 4Å; F7-L29 HydrophobicContact CZ-CD1 3.74Å; F7-L108 HydrophobicContact CB-CD1 3.98Å; F7-L108 HydrophobicContact CB-CG 4.37Å; F7-L108 HydrophobicContact CD1-CD1 3.72Å; F7-L108 HydrophobicContact CD2-CD1 3.44Å; F7-L108 VanDerWaalsContact CD2-CD1 3.44Å; F7-L108 HydrophobicContact CD2-CG 4.38Å; F7-L108 HydrophobicContact CE1-CD1 3.99Å; F7-L108 HydrophobicContact CE2-CD1 3.72Å; F7-L108 HydrophobicContact CG-CD1 3.43Å; F7-L108 VanDerWaalsContact CG-CD1 3.43Å; F7-L108 HydrophobicContact CG-CG 4.31Å; F7-L108 HydrophobicContact CZ-CD1 3.99Å; F7-L111 HydrophobicContact CE2-CB 4.33Å; F7-V112 HydrophobicContact CB-CG2 3.84Å; F7-V112 HydrophobicContact CD2-CG2 4.14Å; F7-M115 HydrophobicContact CD2-CE 3.88Å; F7-M115 HydrophobicContact CD2-SD 3.93Å; F7-M115 HydrophobicContact CE2-CE 3.41Å; F7-M115 VanDerWaalsContact CE2-CE 3.41Å; F7-M115 HydrophobicContact CE2-SD 4.1Å; F7-M115 HydrophobicContact CZ-CE 4.2Å
8Q88.7Confident85.3Confident107 Ų10752.7 Ų52.750%0.526%0.262SS..Hα-helixtrans-63.1-43.7177.9-72.7-69.8-12.800112E4 D5 V6 L10 C11 K12E4-Q8 VanDerWaalsContact O-CG 3.27Å; E4-Q8 WeakPolarHBondContact O-CG 3.47Å; E4-Q8 PolarHBondContact O-N 3.43Å; D5-Q8 PolarHBondContact O-N 3.18Å; V6-Q8 PolarHBondContact O-N 3.08Å; Q8-L10 VanDerWaalsContact C-N 3.35Å; Q8-L10 PolarHBondContact O-N 3.4Å; Q8-C11 PolarHBondContact O-N 3.3Å; Q8-K12 PolarHBondContact O-N 3.32Å
9C89.4Confident85.1Confident14 Ų1459.3 Ų59.310%0.09529%0.292CS..Hα-helixtrans-62.7-41.2176.5-68.40000111.9D5 V6 K12 W13 T145D5-C9 PolarHBondContact O-N 3.37Å; D5-C9 PolarHBondContact O-SG 3.32Å; V6-C9 PolarHBondContact O-N 2.95Å; C9-K12 PolarHBondContact O-N 3.29Å; C9-W13 PolarHBondContact O-N 3.23Å; C9-W13 VanDerWaalsContact O-N 3.09Å; C9-T145 HydrophobicContact CB-CG2 3.95Å
10L89.2Confident84.7Confident1 Ų158.3 Ų58.31%0.00529%0.291CS..Hα-helixtrans-67.9-35.7176.2-68170.7000112.3V6 F7 Q8 W13 I14 V112 M115 Q116 V119 T145V6-L10 HydrophobicContact CG1-CD1 3.8Å; V6-L10 HydrophobicContact CG1-CG 4.43Å; V6-L10 WeakPolarHBondContact O-CB 3.38Å; V6-L10 VanDerWaalsContact O-CG 3.26Å; V6-L10 WeakPolarHBondContact O-CG 3.48Å; V6-L10 PolarHBondContact O-N 2.78Å; F7-L10 PolarHBondContact O-N 2.89Å; Q8-L10 VanDerWaalsContact C-N 3.35Å; Q8-L10 PolarHBondContact O-N 3.4Å; L10-W13 PolarHBondContact O-N 3.29Å; L10-I14 WeakPolarHBondContact O-CG1 3.37Å; L10-I14 PolarHBondContact O-N 3.42Å; L10-V112 HydrophobicContact CD1-CG1 4.14Å; L10-M115 HydrophobicContact CB-CB 4.17Å; L10-M115 HydrophobicContact CB-CG 4.5Å; L10-M115 HydrophobicContact CB-SD 3.62Å; L10-M115 HydrophobicContact CD1-CB 3.75Å; L10-M115 HydrophobicContact CD1-SD 4.24Å; L10-M115 HydrophobicContact CG-CB 4.39Å; L10-Q116 HydrophobicContact CD1-CG 4.09Å; L10-V119 HydrophobicContact CD2-CG2 3.79Å; L10-T145 HydrophobicContact CG-CG2 4.48Å
11C89.3Confident84Confident12 Ų1262.1 Ų62.18%0.08132%0.32CS..Hα-helixtrans-63.3-42172.8-72.20000112.1F7 Q8 W13 I14 A15 V24F7-C11 VanDerWaalsContact CE1-SG 3.58Å; F7-C11 VanDerWaalsContact CZ-SG 3.58Å; F7-C11 WeakPolarHBondContact O-CB 3.48Å; F7-C11 PolarHBondContact O-N 3.15Å; F7-C11 PolarHBondContact O-SG 3.21Å; Q8-C11 PolarHBondContact O-N 3.3Å; C11-W13 VanDerWaalsContact C-N 3.33Å; C11-W13 PolarHBondContact O-N 3.24Å; C11-I14 PolarHBondContact O-N 2.89Å; C11-A15 PolarHBondContact O-N 3.25Å; C11-V24 WeakPolarHBondContact O-CG2 3.46Å
12K87.7Confident84.7Confident98 Ų9859.2 Ų59.243%0.42631%0.312SS..Hα-helixtrans-60.4-42.1173.8-72-178.2177.6179.60111.6Q8 C9 A15 F16 E139 I142Q8-K12 PolarHBondContact O-N 3.32Å; C9-K12 PolarHBondContact O-N 3.29Å; K12-A15 PolarHBondContact O-N 3.44Å; K12-F16 PolarHBondContact O-N 3.15Å; K12-E139 IonicContact NZ-OE2 3.33Å; K12-E139 PolarHBondContact NZ-OE2 3.31Å; K12-I142 HydrophobicContact CB-CD1 3.81Å; K12-I142 HydrophobicContact CB-CG1 4.49Å; K12-I142 HydrophobicContact CD-CD1 3.84Å; K12-I142 HydrophobicContact CD-CG1 4.32Å
13W89.7Confident84.7Confident1 Ų159.8 Ų59.80%0.00432%0.321CS..Hα-helixtrans-63.6-44.5175.8176.579.8000112.4C9 L10 C11 A15 F16 V17 V38 L118 V119 A122 M131 I142 I146C9-W13 PolarHBondContact O-N 3.23Å; C9-W13 VanDerWaalsContact O-N 3.09Å; L10-W13 PolarHBondContact O-N 3.29Å; C11-W13 VanDerWaalsContact C-N 3.33Å; C11-W13 PolarHBondContact O-N 3.24Å; W13-A15 VanDerWaalsContact C-N 3.33Å; W13-A15 PolarHBondContact O-N 2.86Å; W13-F16 WeakPolarHBondContact O-CB 3.21Å; W13-F16 PolarHBondContact O-N 3.34Å; W13-V17 HydrophobicContact CD2-CG2 4.09Å; W13-V17 HydrophobicContact CH2-CG2 4.32Å; W13-V17 HydrophobicContact CZ2-CG2 3.76Å; W13-V17 WeakPolarHBondContact O-CG2 2.97Å; W13-V17 PolarHBondContact O-N 3Å; W13-V38 HydrophobicContact CH2-CG1 4.29Å; W13-V38 HydrophobicContact CZ3-CG1 4.4Å; W13-L118 HydrophobicContact CZ3-CD2 4.33Å; W13-L118 HydrophobicContact CZ3-CG 4.34Å; W13-V119 HydrophobicContact CD2-CG2 3.85Å; W13-V119 HydrophobicContact CE3-CG2 3.44Å; W13-V119 VanDerWaalsContact CE3-CG2 3.44Å; W13-V119 HydrophobicContact CH2-CB 4.3Å; W13-V119 HydrophobicContact CH2-CG2 3.73Å; W13-V119 HydrophobicContact CZ2-CG2 4.09Å; W13-V119 HydrophobicContact CZ3-CB 4.38Å; W13-V119 HydrophobicContact CZ3-CG2 3.39Å; W13-A122 HydrophobicContact CH2-CB 3.82Å; W13-A122 HydrophobicContact CZ2-CB 3.71Å; W13-M131 HydrophobicContact CZ2-SD 4.07Å; W13-I142 HydrophobicContact CB-CG2 4.16Å; W13-I146 HydrophobicContact CB-CD1 4.29Å; W13-I146 VanDerWaalsContact CD1-CD1 3.43Å; W13-I146 HydrophobicContact CG-CD1 3.86Å
14I90.1Very high84.7Confident1 Ų157.4 Ų57.41%0.00531%0.311CS..Hα-helixtrans-60-43.4175.5-71.3174.3000111.3L10 C11 F16 V17 K18 V24 L29 F35 V38 M115L10-I14 WeakPolarHBondContact O-CG1 3.37Å; L10-I14 PolarHBondContact O-N 3.42Å; C11-I14 PolarHBondContact O-N 2.89Å; I14-F16 VanDerWaalsContact C-N 3.31Å; I14-F16 PolarHBondContact O-N 2.97Å; I14-V17 PolarHBondContact O-N 2.86Å; I14-K18 HydrophobicContact CG2-CD 3.97Å; I14-K18 WeakPolarHBondContact O-CB 3.35Å; I14-K18 WeakPolarHBondContact O-CG 3.4Å; I14-K18 PolarHBondContact O-N 3.03Å; I14-V24 HydrophobicContact CB-CG2 4.13Å; I14-V24 HydrophobicContact CG2-CG1 4.3Å; I14-V24 HydrophobicContact CG2-CG2 3.73Å; I14-L29 HydrophobicContact CD1-CD2 4.06Å; I14-F35 HydrophobicContact CD1-CD1 4.49Å; I14-F35 HydrophobicContact CD1-CE1 4.11Å; I14-V38 HydrophobicContact CG2-CG2 3.85Å; I14-M115 HydrophobicContact CD1-CE 4.03Å; I14-M115 HydrophobicContact CD1-CG 4.03Å; I14-M115 HydrophobicContact CD1-SD 4.3Å
15A88.2Confident84.7Confident21 Ų2154.9 Ų54.917%0.17431%0.307CS..Hα-helixtrans-59.7-42.917700000111.7C11 K12 W13 K18 Q19 S20 V24C11-A15 PolarHBondContact O-N 3.25Å; K12-A15 PolarHBondContact O-N 3.44Å; W13-A15 VanDerWaalsContact C-N 3.33Å; W13-A15 PolarHBondContact O-N 2.86Å; A15-K18 PolarHBondContact O-N 3.03Å; A15-Q19 PolarHBondContact O-N 3.48Å; A15-S20 PolarHBondContact O-N 3.5Å; A15-V24 HydrophobicContact CB-CG2 3.98Å
16F87.8Confident84.7Confident80 Ų8054.5 Ų54.535%0.35130%0.304SS..Hα-helixtrans-62.5-48.7176.8172-102.4000112.5K12 W13 I14 K18 Q19 A134 L138K12-F16 PolarHBondContact O-N 3.15Å; W13-F16 WeakPolarHBondContact O-CB 3.21Å; W13-F16 PolarHBondContact O-N 3.34Å; I14-F16 VanDerWaalsContact C-N 3.31Å; I14-F16 PolarHBondContact O-N 2.97Å; F16-K18 VanDerWaalsContact C-N 3.28Å; F16-K18 PolarHBondContact O-N 2.78Å; F16-Q19 PolarHBondContact O-N 3.04Å; F16-A134 HydrophobicContact CE1-CB 3.89Å; F16-A134 HydrophobicContact CZ-CB 4.15Å; F16-L138 HydrophobicContact CB-CD2 4.15Å; F16-L138 HydrophobicContact CD1-CD1 3.84Å; F16-L138 HydrophobicContact CD1-CD2 4.03Å; F16-L138 HydrophobicContact CD1-CG 4.27Å; F16-L138 HydrophobicContact CD2-CD2 3.58Å; F16-L138 HydrophobicContact CE1-CD1 4.11Å; F16-L138 HydrophobicContact CE1-CD2 4.27Å; F16-L138 HydrophobicContact CE1-CG 4.26Å; F16-L138 HydrophobicContact CE2-CD2 3.85Å; F16-L138 HydrophobicContact CG-CD1 4.23Å; F16-L138 HydrophobicContact CG-CD2 3.66Å; F16-L138 HydrophobicContact CG-CG 4.4Å; F16-L138 HydrophobicContact CZ-CD2 4.17Å; F16-L138 HydrophobicContact CZ-CG 4.38Å
17V87.7Confident84.5Confident11 Ų1158.2 Ų58.27%0.06732%0.323CS..Hα-helixtrans-62.4-38.1178.9175.90000111.4W13 I14 Q19 V38 I41 M131W13-V17 HydrophobicContact CD2-CG2 4.09Å; W13-V17 HydrophobicContact CH2-CG2 4.32Å; W13-V17 HydrophobicContact CZ2-CG2 3.76Å; W13-V17 WeakPolarHBondContact O-CG2 2.97Å; W13-V17 PolarHBondContact O-N 3Å; I14-V17 PolarHBondContact O-N 2.86Å; V17-Q19 PolarHBondContact O-N 2.59Å; V17-V38 HydrophobicContact CG1-CG1 4.14Å; V17-I41 HydrophobicContact CG1-CB 4.41Å; V17-I41 HydrophobicContact CG1-CG2 3.91Å; V17-M131 HydrophobicContact CG1-CE 4.45Å; V17-M131 HydrophobicContact CG2-CE 4.21Å; V17-M131 HydrophobicContact CG2-SD 4.24Å
18K84.7Confident84.3Confident52 Ų5258.4 Ų58.423%0.22633%0.327CS..THydrogen-bonded Turntrans-71.7-9.9176.4-74.6-179.152.3164.30114.2I14 A15 F16 S20 E37 V38 I41I14-K18 HydrophobicContact CG2-CD 3.97Å; I14-K18 WeakPolarHBondContact O-CB 3.35Å; I14-K18 WeakPolarHBondContact O-CG 3.4Å; I14-K18 PolarHBondContact O-N 3.03Å; A15-K18 PolarHBondContact O-N 3.03Å; F16-K18 VanDerWaalsContact C-N 3.28Å; F16-K18 PolarHBondContact O-N 2.78Å; K18-S20 PolarHBondContact O-N 3.35Å; K18-S20 VanDerWaalsContact O-N 3.09Å; K18-E37 WeakPolarHBondContact CE-OE2 3.21Å; K18-E37 IonicContact NZ-OE2 3.54Å; K18-E37 PolarHBondContact NZ-OE2 3.27Å; K18-V38 HydrophobicContact CD-CG2 4.16Å; K18-V38 HydrophobicContact CG-CG2 3.87Å; K18-I41 HydrophobicContact CG-CD1 4.32Å
19Q81.4Confident84.2Confident177 Ų17753.3 Ų53.383%0.82730%0.303SS*.THydrogen-bonded Turntrans50.130.5-171.8-57.4-179.911.300113.1A15 F16 V17A15-Q19 PolarHBondContact O-N 3.48Å; F16-Q19 PolarHBondContact O-N 3.04Å; V17-Q19 PolarHBondContact O-N 2.59Å
20S75.8Confident84.1Confident40 Ų4052.7 Ų52.728%0.2830%0.299SS..  trans-98.4132.4-178.8-174.50000110.7A15 K18 S22A15-S20 PolarHBondContact O-N 3.5Å; K18-S20 PolarHBondContact O-N 3.35Å; K18-S20 VanDerWaalsContact O-N 3.09Å; S20-S22 PolarHBondContact O-N 3.08Å; S20-S22 PolarHBondContact OG-N 3.26Å; S20-S22 PolarHBondContact OG-OG 3.19Å
21P70Confident83.9Confident138 Ų13852.9 Ų52.990%0.89630%0.3SS*.SBendtrans-71.6-14.2173.629.1-34000113.1
22S74.3Confident83.7Confident66 Ų6652.3 Ų52.346%0.46230%0.296SS..SBendtrans-83.1137.1-178.366.70000112S20S20-S22 PolarHBondContact O-N 3.08Å; S20-S22 PolarHBondContact OG-N 3.26Å; S20-S22 PolarHBondContact OG-OG 3.19Å
23P76.2Confident83.7Confident118 Ų11849.1 Ų49.177%0.76628%0.283SS*.  trans-59.2144.2172.825.5-33000111.2S25P23-S25 PolarHBondContact O-N 3.08Å
24V82Confident83.6Confident27 Ų2749.1 Ų49.116%0.16428%0.283CS..  trans-67115.4178.5-175.50000108.7C11 I14 A15 L29 A34C11-V24 WeakPolarHBondContact O-CG2 3.46Å; I14-V24 HydrophobicContact CB-CG2 4.13Å; I14-V24 HydrophobicContact CG2-CG1 4.3Å; I14-V24 HydrophobicContact CG2-CG2 3.73Å; A15-V24 HydrophobicContact CB-CG2 3.98Å; V24-L29 HydrophobicContact CG1-CD1 3.79Å; V24-L29 HydrophobicContact CG1-CD2 3.85Å; V24-L29 HydrophobicContact CG1-CG 3.66Å; V24-A34 HydrophobicContact CG1-CB 4.28Å
25S84.7Confident83.6Confident63 Ų6349 Ų4944%0.44128%0.282SS..  trans-74.4139.3179.173.90000110.7P23 D27 S28 L29P23-S25 PolarHBondContact O-N 3.08Å; S25-D27 PolarHBondContact O-N 2.8Å; S25-S28 WeakPolarHBondContact O-CB 3.11Å; S25-S28 PolarHBondContact O-N 3.29Å; S25-S28 PolarHBondContact O-OG 3.28Å; S25-S28 VanDerWaalsContact OG-CB 3.25Å; S25-S28 WeakPolarHBondContact OG-CB 3.39Å; S25-S28 PolarHBondContact OG-N 3.08Å; S25-S28 VanDerWaalsContact OG-N 3.14Å; S25-S28 PolarHBondContact OG-OG 2.57Å; S25-L29 PolarHBondContact O-N 3.45Å
26L84.3Confident83.6Confident81 Ų8148 Ų4842%0.42427%0.274SS..Hα-helixtrans-56.8-36.8176.3-176.964000111.5F7 S28 L29 V30 L111F7-L26 HydrophobicContact CZ-CD1 3.88Å; L26-S28 VanDerWaalsContact C-N 3.34Å; L26-S28 PolarHBondContact O-N 3.24Å; L26-L29 WeakPolarHBondContact O-CB 2.93Å; L26-L29 PolarHBondContact O-N 2.98Å; L26-L29 VanDerWaalsContact O-N 3.13Å; L26-V30 HydrophobicContact CD1-CG2 4.31Å; L26-V30 HydrophobicContact CG-CG2 4.28Å; L26-V30 WeakPolarHBondContact O-CG2 3.43Å; L26-V30 PolarHBondContact O-N 2.95Å; L26-L111 HydrophobicContact CD1-CD1 4.02Å
27D84.6Confident83.7Confident97 Ų9746.7 Ų46.752%0.51927%0.269SS..Hα-helixtrans-65.8-35.7177.1-167.754.6000111.8S25 L29 V30 T31 K68S25-D27 PolarHBondContact O-N 2.8Å; D27-L29 PolarHBondContact O-N 2.91Å; D27-V30 PolarHBondContact O-N 2.93Å; D27-T31 VanDerWaalsContact O-CB 3.24Å; D27-T31 WeakPolarHBondContact O-CB 3.34Å; D27-T31 WeakPolarHBondContact O-CG2 3.35Å; D27-T31 PolarHBondContact O-N 3.12Å; D27-T31 PolarHBondContact O-OG1 3.17Å; D27-K68 IonicContact OD1-NZ 2.85Å; D27-K68 PolarHBondContact OD1-NZ 3.3Å
28S84.3Confident83.8Confident21 Ų2146.1 Ų46.115%0.14727%0.265CS..Hα-helixtrans-65.3-24.417476.10000113.7S25 L26 T31 G32 H33 A34S25-S28 WeakPolarHBondContact O-CB 3.11Å; S25-S28 PolarHBondContact O-N 3.29Å; S25-S28 PolarHBondContact O-OG 3.28Å; S25-S28 VanDerWaalsContact OG-CB 3.25Å; S25-S28 WeakPolarHBondContact OG-CB 3.39Å; S25-S28 PolarHBondContact OG-N 3.08Å; S25-S28 VanDerWaalsContact OG-N 3.14Å; S25-S28 PolarHBondContact OG-OG 2.57Å; L26-S28 VanDerWaalsContact C-N 3.34Å; L26-S28 PolarHBondContact O-N 3.24Å; S28-T31 VanDerWaalsContact CA-OG1 3.3Å; S28-T31 WeakPolarHBondContact CA-OG1 3.35Å; S28-T31 PolarHBondContact O-OG1 2.9Å; S28-G32 PolarHBondContact O-N 3.29Å; S28-H33 PolarHBondContact O-N 3.32Å; S28-A34 PolarHBondContact O-N 3.44Å
29L86.3Confident84.1Confident0 Ų043.7 Ų43.70%026%0.255CS..Hα-helixtrans-83.8-48.1177.2-69.5166.6000111.5F7 I14 V24 S25 L26 D27 T31 G32 A34 F35 L111 M115F7-L29 HydrophobicContact CE2-CD1 4Å; F7-L29 HydrophobicContact CZ-CD1 3.74Å; I14-L29 HydrophobicContact CD1-CD2 4.06Å; V24-L29 HydrophobicContact CG1-CD1 3.79Å; V24-L29 HydrophobicContact CG1-CD2 3.85Å; V24-L29 HydrophobicContact CG1-CG 3.66Å; S25-L29 PolarHBondContact O-N 3.45Å; L26-L29 WeakPolarHBondContact O-CB 2.93Å; L26-L29 PolarHBondContact O-N 2.98Å; L26-L29 VanDerWaalsContact O-N 3.13Å; D27-L29 PolarHBondContact O-N 2.91Å; L29-T31 PolarHBondContact O-N 3.41Å; L29-G32 PolarHBondContact O-N 3.26Å; L29-A34 HydrophobicContact CD2-CB 3.95Å; L29-F35 HydrophobicContact CD2-CD1 4.31Å; L29-F35 HydrophobicContact CD2-CE1 3.61Å; L29-F35 HydrophobicContact CD2-CZ 3.74Å; L29-F35 WeakPolarHBondContact O-CE2 3.47Å; L29-L111 HydrophobicContact CB-CD2 3.77Å; L29-M115 HydrophobicContact CD1-CE 3.33Å; L29-M115 HydrophobicContact CD2-CE 3.4Å; L29-M115 VanDerWaalsContact CD2-CE 3.4Å; L29-M115 HydrophobicContact CG-CE 3.95Å
30V87.8Confident84.5Confident1 Ų136.7 Ų36.71%0.00622%0.222CC..Hα-helixtrans-64.1-31.4177.6175.60000111.4L26 D27 G32 K68 L72 I102 N106 L111L26-V30 HydrophobicContact CD1-CG2 4.31Å; L26-V30 HydrophobicContact CG-CG2 4.28Å; L26-V30 WeakPolarHBondContact O-CG2 3.43Å; L26-V30 PolarHBondContact O-N 2.95Å; D27-V30 PolarHBondContact O-N 2.93Å; V30-G32 VanDerWaalsContact C-N 3.32Å; V30-K68 HydrophobicContact CG1-CD 3.94Å; V30-L72 WeakPolarHBondContact O-CD1 3.33Å; V30-I102 HydrophobicContact CG1-CG2 4.5Å; V30-I102 WeakPolarHBondContact CG1-O 3.18Å; V30-I102 HydrophobicContact CG2-CG2 4.49Å; V30-N106 WeakPolarHBondContact CG1-OD1 3.12Å; V30-N106 HydrophobicContact CG2-CB 4.27Å; V30-N106 WeakPolarHBondContact CG2-OD1 3.46Å; V30-L111 HydrophobicContact CG2-CD1 4.13Å
31T84.9Confident85.1Confident6 Ų638.1 Ų38.14%0.03723%0.226CC..THydrogen-bonded Turntrans-77.6-17.7173.752.70000113.5D27 S28 L29 H33 V59 K68D27-T31 VanDerWaalsContact O-CB 3.24Å; D27-T31 WeakPolarHBondContact O-CB 3.34Å; D27-T31 WeakPolarHBondContact O-CG2 3.35Å; D27-T31 PolarHBondContact O-N 3.12Å; D27-T31 PolarHBondContact O-OG1 3.17Å; S28-T31 VanDerWaalsContact CA-OG1 3.3Å; S28-T31 WeakPolarHBondContact CA-OG1 3.35Å; S28-T31 PolarHBondContact O-OG1 2.9Å; L29-T31 PolarHBondContact O-N 3.41Å; T31-H33 VanDerWaalsContact C-N 3.3Å; T31-H33 VanDerWaalsContact CB-ND1 3.34Å; T31-H33 WeakPolarHBondContact CB-ND1 3.41Å; T31-H33 PolarHBondContact OG1-ND1 3.13Å; T31-V59 HydrophobicContact CG2-CG1 3.46Å; T31-V59 VanDerWaalsContact CG2-CG1 3.46Å; T31-V59 WeakPolarHBondContact O-CG2 3.47Å; T31-K68 HydrophobicContact CG2-CD 4.02Å; T31-K68 HydrophobicContact CG2-CG 4.38Å
32G85.8Confident85.9Confident0 Ų031.8 Ų31.80%018%0.184CC..THydrogen-bonded Turntrans80.61.7-176.300000115.1S28 L29 V30 A34 F35 A36 L75S28-G32 PolarHBondContact O-N 3.29Å; L29-G32 PolarHBondContact O-N 3.26Å; V30-G32 VanDerWaalsContact C-N 3.32Å; G32-A34 PolarHBondContact O-N 3.11Å; G32-F35 PolarHBondContact O-N 2.97Å; G32-A36 PolarHBondContact O-N 3.01Å; G32-A36 VanDerWaalsContact O-N 3.09Å; G32-L75 WeakPolarHBondContact O-CD1 3.35Å
33H86.5Confident86.7Confident31 Ų3129.2 Ų29.214%0.14417%0.166CC..Hα-helixtrans-59.2-46.4179.1-77.9113.4000112.7S28 T31 F35 A36 E37 V59S28-H33 PolarHBondContact O-N 3.32Å; T31-H33 VanDerWaalsContact C-N 3.3Å; T31-H33 VanDerWaalsContact CB-ND1 3.34Å; T31-H33 WeakPolarHBondContact CB-ND1 3.41Å; T31-H33 PolarHBondContact OG1-ND1 3.13Å; H33-F35 VanDerWaalsContact C-N 3.3Å; H33-F35 PolarHBondContact O-N 3.46Å; H33-A36 PolarHBondContact O-N 2.98Å; H33-E37 PolarHBondContact O-N 3.45Å; H33-V59 WeakPolarHBondContact CE1-CB 3.49Å; H33-V59 VanDerWaalsContact CE1-CG1 3.44Å; H33-V59 WeakPolarHBondContact CE1-CG1 3.37Å
34A88.1Confident87.2Confident0 Ų026.5 Ų26.50%015%0.148CC..Hα-helixtrans-64-36.9-18000000111.8V24 S28 L29 G32 E37 V38V24-A34 HydrophobicContact CG1-CB 4.28Å; S28-A34 PolarHBondContact O-N 3.44Å; L29-A34 HydrophobicContact CD2-CB 3.95Å; G32-A34 PolarHBondContact O-N 3.11Å; A34-E37 PolarHBondContact O-N 3.21Å; A34-V38 VanDerWaalsContact O-CG2 3.32Å; A34-V38 WeakPolarHBondContact O-CG2 3.17Å; A34-V38 PolarHBondContact O-N 3.02Å; A34-V38 VanDerWaalsContact O-N 3.08Å
35F89.9Confident87.5Confident0 Ų030.3 Ų30.30%018%0.175CC..Hα-helixtrans-68-40.6177.7-58.2-40.7000112.5I14 L29 G32 H33 E37 V38 L39 L72 L75 L111 F114 M115 L118I14-F35 HydrophobicContact CD1-CD1 4.49Å; I14-F35 HydrophobicContact CD1-CE1 4.11Å; L29-F35 HydrophobicContact CD2-CD1 4.31Å; L29-F35 HydrophobicContact CD2-CE1 3.61Å; L29-F35 HydrophobicContact CD2-CZ 3.74Å; L29-F35 WeakPolarHBondContact O-CE2 3.47Å; G32-F35 PolarHBondContact O-N 2.97Å; H33-F35 VanDerWaalsContact C-N 3.3Å; H33-F35 PolarHBondContact O-N 3.46Å; F35-E37 VanDerWaalsContact C-N 3.32Å; F35-E37 PolarHBondContact O-N 3.1Å; F35-V38 PolarHBondContact O-N 2.9Å; F35-L39 WeakPolarHBondContact O-CB 2.85Å; F35-L39 WeakPolarHBondContact O-CG 3.4Å; F35-L39 PolarHBondContact O-N 3.17Å; F35-L72 HydrophobicContact CD2-CD2 4.07Å; F35-L72 HydrophobicContact CE2-CD2 4.18Å; F35-L75 HydrophobicContact CB-CD1 4.33Å; F35-L111 HydrophobicContact CE2-CD2 4.26Å; F35-L111 HydrophobicContact CZ-CD2 3.94Å; F35-F114 HydrophobicContact CB-CE1 3.94Å; F35-F114 HydrophobicContact CD1-CD1 4.06Å; F35-F114 HydrophobicContact CD1-CE1 4.12Å; F35-F114 AromaticContact CD2-CD1 3.63Å; F35-F114 HydrophobicContact CD2-CD1 3.63Å; F35-F114 AromaticContact CD2-CE1 3.39Å; F35-F114 HydrophobicContact CD2-CE1 3.39Å; F35-F114 HydrophobicContact CD2-CG 4.37Å; F35-F114 AromaticContact CD2-CZ 3.91Å; F35-F114 HydrophobicContact CD2-CZ 3.91Å; F35-F114 AromaticContact CE1-CD1 3.97Å; F35-F114 HydrophobicContact CE1-CD1 3.97Å; F35-F114 HydrophobicContact CE1-CE1 4.47Å; F35-F114 AromaticContact CE2-CD1 3.56Å; F35-F114 HydrophobicContact CE2-CD1 3.56Å; F35-F114 AromaticContact CE2-CE1 3.83Å; F35-F114 HydrophobicContact CE2-CE1 3.83Å; F35-F114 AromaticContact CE2-CG 3.96Å; F35-F114 HydrophobicContact CE2-CG 3.96Å; F35-F114 HydrophobicContact CE2-CZ 4.4Å; F35-F114 AromaticContact CG-CD1 3.89Å; F35-F114 HydrophobicContact CG-CD1 3.89Å; F35-F114 AromaticContact CG-CE1 3.55Å; F35-F114 HydrophobicContact CG-CE1 3.55Å; F35-F114 HydrophobicContact CG-CZ 4.39Å; F35-F114 HydrophobicContact CZ-CB 4.38Å; F35-F114 AromaticContact CZ-CD1 3.72Å; F35-F114 HydrophobicContact CZ-CD1 3.72Å; F35-F114 HydrophobicContact CZ-CE1 4.34Å; F35-F114 HydrophobicContact CZ-CG 4.19Å; F35-M115 HydrophobicContact CE1-CE 4.45Å; F35-M115 HydrophobicContact CE1-CG 3.8Å; F35-M115 HydrophobicContact CZ-CG 4.11Å; F35-L118 HydrophobicContact CD1-CD2 3.66Å; F35-L118 HydrophobicContact CE1-CD2 4.3Å
36A89.1Confident87.7Confident0 Ų030.8 Ų30.80%017%0.168CC..Hα-helixtrans-61.9-40.5176.500000112G32 H33 H40 I55 L75G32-A36 PolarHBondContact O-N 3.01Å; G32-A36 VanDerWaalsContact O-N 3.09Å; H33-A36 PolarHBondContact O-N 2.98Å; A36-H40 PolarHBondContact O-N 3.32Å; A36-I55 HydrophobicContact CB-CB 4.27Å; A36-I55 HydrophobicContact CB-CG2 4.07Å; A36-L75 HydrophobicContact CB-CD2 3.99Å
37E89.2Confident88Confident51 Ų5127 Ų2724%0.23815%0.148CC..Hα-helixtrans-68.2-43.3177.3-73.1-178.9161.900112.6K18 H33 A34 F35 H40 I41 K56K18-E37 WeakPolarHBondContact CE-OE2 3.21Å; K18-E37 IonicContact NZ-OE2 3.54Å; K18-E37 PolarHBondContact NZ-OE2 3.27Å; H33-E37 PolarHBondContact O-N 3.45Å; A34-E37 PolarHBondContact O-N 3.21Å; F35-E37 VanDerWaalsContact C-N 3.32Å; F35-E37 PolarHBondContact O-N 3.1Å; E37-H40 PolarHBondContact O-N 3.35Å; E37-I41 WeakPolarHBondContact O-CG1 3.4Å; E37-I41 PolarHBondContact O-N 3.06Å; E37-I41 VanDerWaalsContact O-N 3.1Å; E37-K56 VanDerWaalsContact OE1-CE 3.31Å; E37-K56 WeakPolarHBondContact OE1-CE 3.4Å; E37-K56 IonicContact OE1-NZ 2.65Å; E37-K56 PolarHBondContact OE1-NZ 3.41Å
38V90.2Very high88.3Confident0 Ų025.6 Ų25.60%014%0.141CC..Hα-helixtrans-64.1-42.6178171.80000111.3W13 I14 V17 K18 A34 F35 H40 I41 I42 L118W13-V38 HydrophobicContact CH2-CG1 4.29Å; W13-V38 HydrophobicContact CZ3-CG1 4.4Å; I14-V38 HydrophobicContact CG2-CG2 3.85Å; V17-V38 HydrophobicContact CG1-CG1 4.14Å; K18-V38 HydrophobicContact CD-CG2 4.16Å; K18-V38 HydrophobicContact CG-CG2 3.87Å; A34-V38 VanDerWaalsContact O-CG2 3.32Å; A34-V38 WeakPolarHBondContact O-CG2 3.17Å; A34-V38 PolarHBondContact O-N 3.02Å; A34-V38 VanDerWaalsContact O-N 3.08Å; F35-V38 PolarHBondContact O-N 2.9Å; V38-H40 VanDerWaalsContact C-N 3.32Å; V38-H40 PolarHBondContact O-N 3.46Å; V38-I41 PolarHBondContact O-N 3.47Å; V38-I41 VanDerWaalsContact O-N 3.13Å; V38-I42 HydrophobicContact CG1-CD1 3.59Å; V38-I42 HydrophobicContact CG1-CG1 4.22Å; V38-I42 VanDerWaalsContact O-CG1 3.27Å; V38-I42 WeakPolarHBondContact O-CG1 3.4Å; V38-I42 PolarHBondContact O-N 3.12Å; V38-L118 HydrophobicContact CB-CD2 4.08Å; V38-L118 HydrophobicContact CG1-CD1 4.13Å; V38-L118 HydrophobicContact CG1-CD2 3.77Å; V38-L118 HydrophobicContact CG1-CG 4.03Å
39L90.2Very high88.5Confident0 Ų029.9 Ų29.90%016%0.158CC..Hα-helixtrans-61.4-41.2177.5-78.1166.3000112.5F35 I41 I42 D43 F47 W51 L75 L79 L118F35-L39 WeakPolarHBondContact O-CB 2.85Å; F35-L39 WeakPolarHBondContact O-CG 3.4Å; F35-L39 PolarHBondContact O-N 3.17Å; L39-I41 VanDerWaalsContact C-N 3.3Å; L39-I41 PolarHBondContact O-N 3.44Å; L39-I42 PolarHBondContact O-N 2.89Å; L39-D43 PolarHBondContact O-N 3.15Å; L39-D43 VanDerWaalsContact O-N 3.13Å; L39-F47 HydrophobicContact CB-CD1 4.26Å; L39-F47 HydrophobicContact CB-CD2 3.9Å; L39-F47 HydrophobicContact CB-CE1 4.41Å; L39-F47 HydrophobicContact CB-CE2 4.07Å; L39-F47 HydrophobicContact CB-CG 3.99Å; L39-F47 HydrophobicContact CB-CZ 4.32Å; L39-F47 HydrophobicContact CD1-CE1 4.33Å; L39-F47 HydrophobicContact CD1-CZ 4.36Å; L39-F47 HydrophobicContact CD2-CD2 4.28Å; L39-F47 HydrophobicContact CD2-CE1 4.41Å; L39-F47 HydrophobicContact CD2-CE2 3.61Å; L39-F47 HydrophobicContact CD2-CZ 3.68Å; L39-F47 HydrophobicContact CG-CE2 4.37Å; L39-F47 HydrophobicContact CG-CZ 4.33Å; L39-F47 VanDerWaalsContact O-CD2 3.27Å; L39-F47 WeakPolarHBondContact O-CD2 3.44Å; L39-W51 HydrophobicContact CB-CH2 4.19Å; L39-W51 HydrophobicContact CB-CZ3 4.15Å; L39-W51 HydrophobicContact CD1-CH2 3.8Å; L39-L75 HydrophobicContact CD1-CD2 4.24Å; L39-L79 HydrophobicContact CD1-CD1 4.22Å; L39-L79 HydrophobicContact CD2-CD1 3.51Å; L39-L79 HydrophobicContact CG-CD1 4.41Å; L39-L118 HydrophobicContact CD1-CD1 4.31Å; L39-L118 HydrophobicContact CD2-CD1 3.62Å; L39-L118 HydrophobicContact CG-CD1 3.61Å
40H90.5Very high88.6Confident31 Ų3135.8 Ų35.814%0.14419%0.19CC..Hα-helixtrans-62.5-35.6174.6-179.869.1000112.7A36 E37 V38 P44 F47 R52A36-H40 PolarHBondContact O-N 3.32Å; E37-H40 PolarHBondContact O-N 3.35Å; V38-H40 VanDerWaalsContact C-N 3.32Å; V38-H40 PolarHBondContact O-N 3.46Å; H40-P44 VanDerWaalsContact O-CA 3.29Å; H40-P44 WeakPolarHBondContact O-CA 3.38Å; H40-P44 VanDerWaalsContact O-CD 3.32Å; H40-P44 WeakPolarHBondContact O-CD 3.34Å; H40-P44 WeakPolarHBondContact O-CG 3.4Å; H40-P44 VanDerWaalsContact O-N 3.15Å; H40-F47 PolarHBondContact ND1-O 3.02Å; H40-R52 HydrophobicContact CB-CB 4.48Å; H40-R52 HydrophobicContact CB-CG 4.4Å; H40-R52 PolarHBondContact CD2-NH1 2.86Å; H40-R52 VanDerWaalsContact CD2-NH1 3.31Å; H40-R52 PolarHBondContact NE2-NH1 3.47Å
41I89Confident88.8Confident69 Ų6937.6 Ų37.635%0.35420%0.197SC..Hα-helixtrans-72.9-39.9177.1-67.4166.9000111.6V17 K18 E37 V38 L39V17-I41 HydrophobicContact CG1-CB 4.41Å; V17-I41 HydrophobicContact CG1-CG2 3.91Å; K18-I41 HydrophobicContact CG-CD1 4.32Å; E37-I41 WeakPolarHBondContact O-CG1 3.4Å; E37-I41 PolarHBondContact O-N 3.06Å; E37-I41 VanDerWaalsContact O-N 3.1Å; V38-I41 PolarHBondContact O-N 3.47Å; V38-I41 VanDerWaalsContact O-N 3.13Å; L39-I41 VanDerWaalsContact C-N 3.3Å; L39-I41 PolarHBondContact O-N 3.44Å
42I87.1Confident88.9Confident6 Ų638.9 Ų38.93%0.03120%0.201CC..Hα-helixtrans-62.2-50.2-179.2-71.6163.3000110.6V38 L39 L118 A122V38-I42 HydrophobicContact CG1-CD1 3.59Å; V38-I42 HydrophobicContact CG1-CG1 4.22Å; V38-I42 VanDerWaalsContact O-CG1 3.27Å; V38-I42 WeakPolarHBondContact O-CG1 3.4Å; V38-I42 PolarHBondContact O-N 3.12Å; L39-I42 PolarHBondContact O-N 2.89Å; I42-L118 HydrophobicContact CD1-CD1 4.26Å; I42-A122 HydrophobicContact CD1-CB 3.5Å; I42-A122 HydrophobicContact CG1-CB 3.89Å
43D89.4Confident89Confident12 Ų1242.1 Ų42.16%0.06422%0.218CC..  trans-143.287179.2-169.3-9000111L39 S45 Y46 F47 Y82 P126L39-D43 PolarHBondContact O-N 3.15Å; L39-D43 VanDerWaalsContact O-N 3.13Å; D43-S45 PolarHBondContact O-N 3.33Å; D43-S45 VanDerWaalsContact O-N 3.12Å; D43-S45 WeakPolarHBondContact OD1-CB 3.36Å; D43-S45 PolarHBondContact OD1-N 2.93Å; D43-S45 PolarHBondContact OD1-OG 3.45Å; D43-Y46 PolarHBondContact O-N 2.89Å; D43-Y46 PolarHBondContact OD1-N 2.96Å; D43-F47 HydrophobicContact CB-CD2 4.4Å; D43-F47 PolarHBondContact O-N 2.67Å; D43-Y82 HydrophobicContact CB-CE2 4.02Å; D43-P126 HydrophobicContact CB-CG 4.42Å; D43-P126 WeakPolarHBondContact OD2-CG 3.27Å
44P88.2Confident88.9Confident61 Ų6142.4 Ų42.440%0.39622%0.224SC..THydrogen-bonded Turntrans-61.5-17.6176.1-18.327.1000113.6H40H40-P44 VanDerWaalsContact O-CA 3.29Å; H40-P44 WeakPolarHBondContact O-CA 3.38Å; H40-P44 VanDerWaalsContact O-CD 3.32Å; H40-P44 WeakPolarHBondContact O-CD 3.34Å; H40-P44 WeakPolarHBondContact O-CG 3.4Å; H40-P44 VanDerWaalsContact O-N 3.15Å
45S86.9Confident88.7Confident106 Ų10642.4 Ų42.474%0.74122%0.224SC*.THydrogen-bonded Turntrans-81.6-33.5-178.576.90000112.6D43D43-S45 PolarHBondContact O-N 3.33Å; D43-S45 VanDerWaalsContact O-N 3.12Å; D43-S45 WeakPolarHBondContact OD1-CB 3.36Å; D43-S45 PolarHBondContact OD1-N 2.93Å; D43-S45 PolarHBondContact OD1-OG 3.45Å
46Y89.7Confident88.4Confident73 Ų7344.9 Ų44.929%0.28623%0.234SC..THydrogen-bonded Turntrans-88.6-39.8174.9-164.5-89.9000112.2D43 Y82 E85 V86D43-Y46 PolarHBondContact O-N 2.89Å; D43-Y46 PolarHBondContact OD1-N 2.96Å; Y46-Y82 AromaticContact CD1-CD2 3.52Å; Y46-Y82 HydrophobicContact CD1-CD2 3.52Å; Y46-Y82 HydrophobicContact CD1-CE2 4.32Å; Y46-Y82 HydrophobicContact CD1-CG 4.3Å; Y46-Y82 HydrophobicContact CD2-CD2 4.14Å; Y46-Y82 AromaticContact CE1-CD2 3.9Å; Y46-Y82 HydrophobicContact CE1-CD2 3.9Å; Y46-Y82 HydrophobicContact CE1-CG 4.37Å; Y46-Y82 HydrophobicContact CE2-CD2 4.46Å; Y46-Y82 AromaticContact CG-CD2 3.65Å; Y46-Y82 HydrophobicContact CG-CD2 3.65Å; Y46-Y82 HydrophobicContact CG-CE2 4.11Å; Y46-E85 PolarHBondContact OH-OE2 3.08Å; Y46-V86 HydrophobicContact CD2-CG2 3.65Å; Y46-V86 HydrophobicContact CE2-CG2 3.66Å; Y46-V86 HydrophobicContact CG-CG2 4.41Å
47F91.4Very high87.8Confident2 Ų247.8 Ų47.81%0.00926%0.258CS..SBendtrans-106.384.1178.7-58.8-73.9000109.3L39 H40 D43 W51 A78 Y82L39-F47 HydrophobicContact CB-CD1 4.26Å; L39-F47 HydrophobicContact CB-CD2 3.9Å; L39-F47 HydrophobicContact CB-CE1 4.41Å; L39-F47 HydrophobicContact CB-CE2 4.07Å; L39-F47 HydrophobicContact CB-CG 3.99Å; L39-F47 HydrophobicContact CB-CZ 4.32Å; L39-F47 HydrophobicContact CD1-CE1 4.33Å; L39-F47 HydrophobicContact CD1-CZ 4.36Å; L39-F47 HydrophobicContact CD2-CD2 4.28Å; L39-F47 HydrophobicContact CD2-CE1 4.41Å; L39-F47 HydrophobicContact CD2-CE2 3.61Å; L39-F47 HydrophobicContact CD2-CZ 3.68Å; L39-F47 HydrophobicContact CG-CE2 4.37Å; L39-F47 HydrophobicContact CG-CZ 4.33Å; L39-F47 VanDerWaalsContact O-CD2 3.27Å; L39-F47 WeakPolarHBondContact O-CD2 3.44Å; H40-F47 PolarHBondContact ND1-O 3.02Å; D43-F47 HydrophobicContact CB-CD2 4.4Å; D43-F47 PolarHBondContact O-N 2.67Å; F47-W51 HydrophobicContact CB-CE3 3.8Å; F47-W51 HydrophobicContact CB-CZ3 3.91Å; F47-W51 AromaticContact CD1-CD2 3.94Å; F47-W51 HydrophobicContact CD1-CD2 3.94Å; F47-W51 AromaticContact CD1-CE2 3.96Å; F47-W51 AromaticContact CD1-CE3 3.68Å; F47-W51 HydrophobicContact CD1-CE3 3.68Å; F47-W51 AromaticContact CD1-CH2 3.51Å; F47-W51 HydrophobicContact CD1-CH2 3.51Å; F47-W51 AromaticContact CD1-CZ2 3.77Å; F47-W51 HydrophobicContact CD1-CZ2 3.77Å; F47-W51 AromaticContact CD1-CZ3 3.46Å; F47-W51 HydrophobicContact CD1-CZ3 3.46Å; F47-W51 VanDerWaalsContact CD1-CZ3 3.46Å; F47-W51 AromaticContact CE1-CH2 3.88Å; F47-W51 HydrophobicContact CE1-CH2 3.88Å; F47-W51 AromaticContact CE1-CZ2 3.97Å; F47-W51 HydrophobicContact CE1-CZ2 3.97Å; F47-W51 HydrophobicContact CE1-CZ3 4.29Å; F47-W51 HydrophobicContact CG-CE3 4.18Å; F47-W51 HydrophobicContact CG-CH2 4.37Å; F47-W51 AromaticContact CG-CZ3 3.97Å; F47-W51 HydrophobicContact CG-CZ3 3.97Å; F47-A78 HydrophobicContact CE1-CB 4.17Å; F47-Y82 HydrophobicContact CE2-CD1 4.07Å; F47-Y82 AromaticContact CE2-CD2 3.63Å; F47-Y82 HydrophobicContact CE2-CD2 3.63Å; F47-Y82 HydrophobicContact CE2-CE1 4.33Å; F47-Y82 AromaticContact CE2-CE2 3.91Å; F47-Y82 HydrophobicContact CE2-CE2 3.91Å; F47-Y82 AromaticContact CE2-CG 3.71Å; F47-Y82 HydrophobicContact CE2-CG 3.71Å; F47-Y82 HydrophobicContact CZ-CD1 4.22Å; F47-Y82 AromaticContact CZ-CD2 3.91Å; F47-Y82 HydrophobicContact CZ-CD2 3.91Å; F47-Y82 AromaticContact CZ-CG 3.67Å; F47-Y82 HydrophobicContact CZ-CG 3.67Å
48D89.5Confident86.9Confident68 Ų6846.7 Ų46.736%0.36426%0.259SS..  trans-70.3169.8-179.276.1-12.7000113.2N50 W51 R52D48-N50 VanDerWaalsContact C-N 3.25Å; D48-N50 PolarHBondContact O-N 2.96Å; D48-N50 PolarHBondContact OD1-N 3.23Å; D48-N50 PolarHBondContact OD2-ND2 3.35Å; D48-W51 PolarHBondContact O-N 2.96Å; D48-W51 WeakPolarHBondContact OD1-CB 3.43Å; D48-W51 PolarHBondContact OD1-N 2.95Å; D48-R52 PolarHBondContact O-N 3.31Å; D48-R52 VanDerWaalsContact O-N 3.14Å
49E89.3Confident85.8Confident110 Ų11047.1 Ų47.151%0.51426%0.261SS..Hα-helixtrans-60.8-35.2179.1-65.6-150.3113.400112.4R52 D53E49-R52 PolarHBondContact O-N 2.64Å; E49-R52 IonicContact OE1-CZ 2.79Å; E49-R52 IonicContact OE1-NH1 3.94Å; E49-R52 PolarHBondContact OE1-NH1 2.96Å; E49-R52 IonicContact OE1-NH2 3.09Å; E49-R52 PolarHBondContact OE1-NH2 2.75Å; E49-D53 WeakPolarHBondContact O-CB 3.42Å; E49-D53 PolarHBondContact O-N 3.46Å
50N88.8Confident84.6Confident124 Ų12453.4 Ų53.466%0.66329%0.294SS*.Hα-helixtrans-64.5-43.8179.1-61.6-51000111.7D48 S54D48-N50 VanDerWaalsContact C-N 3.25Å; D48-N50 PolarHBondContact O-N 2.96Å; D48-N50 PolarHBondContact OD1-N 3.23Å; D48-N50 PolarHBondContact OD2-ND2 3.35Å; N50-S54 WeakPolarHBondContact O-CB 3.47Å; N50-S54 PolarHBondContact O-N 3.13Å
51W90.4Very high83Confident39 Ų3956.5 Ų56.515%0.14832%0.32CS..Hα-helixtrans-62.2-48.3176175.189.7000110.7L39 F47 D48 D53 S54 I55 L75 A78L39-W51 HydrophobicContact CB-CH2 4.19Å; L39-W51 HydrophobicContact CB-CZ3 4.15Å; L39-W51 HydrophobicContact CD1-CH2 3.8Å; F47-W51 HydrophobicContact CB-CE3 3.8Å; F47-W51 HydrophobicContact CB-CZ3 3.91Å; F47-W51 AromaticContact CD1-CD2 3.94Å; F47-W51 HydrophobicContact CD1-CD2 3.94Å; F47-W51 AromaticContact CD1-CE2 3.96Å; F47-W51 AromaticContact CD1-CE3 3.68Å; F47-W51 HydrophobicContact CD1-CE3 3.68Å; F47-W51 AromaticContact CD1-CH2 3.51Å; F47-W51 HydrophobicContact CD1-CH2 3.51Å; F47-W51 AromaticContact CD1-CZ2 3.77Å; F47-W51 HydrophobicContact CD1-CZ2 3.77Å; F47-W51 AromaticContact CD1-CZ3 3.46Å; F47-W51 HydrophobicContact CD1-CZ3 3.46Å; F47-W51 VanDerWaalsContact CD1-CZ3 3.46Å; F47-W51 AromaticContact CE1-CH2 3.88Å; F47-W51 HydrophobicContact CE1-CH2 3.88Å; F47-W51 AromaticContact CE1-CZ2 3.97Å; F47-W51 HydrophobicContact CE1-CZ2 3.97Å; F47-W51 HydrophobicContact CE1-CZ3 4.29Å; F47-W51 HydrophobicContact CG-CE3 4.18Å; F47-W51 HydrophobicContact CG-CH2 4.37Å; F47-W51 AromaticContact CG-CZ3 3.97Å; F47-W51 HydrophobicContact CG-CZ3 3.97Å; D48-W51 PolarHBondContact O-N 2.96Å; D48-W51 WeakPolarHBondContact OD1-CB 3.43Å; D48-W51 PolarHBondContact OD1-N 2.95Å; W51-D53 PolarHBondContact O-N 3.45Å; W51-S54 PolarHBondContact O-N 2.97Å; W51-S54 PolarHBondContact O-OG 3.12Å; W51-I55 HydrophobicContact CZ2-CG1 4.46Å; W51-I55 PolarHBondContact O-N 3.36Å; W51-L75 HydrophobicContact CH2-CD2 3.53Å; W51-L75 HydrophobicContact CZ2-CD2 3.83Å; W51-A78 HydrophobicContact CZ2-CB 3.75Å
52R88.6Confident81.4Confident34 Ų3455.6 Ų55.613%0.12832%0.32CS..Hα-helixtrans-55.3-51.2177.1-178.4-164.972.1-150.9-0.2111H40 D48 E49 S54 I55 K56H40-R52 HydrophobicContact CB-CB 4.48Å; H40-R52 HydrophobicContact CB-CG 4.4Å; H40-R52 PolarHBondContact CD2-NH1 2.86Å; H40-R52 VanDerWaalsContact CD2-NH1 3.31Å; H40-R52 PolarHBondContact NE2-NH1 3.47Å; D48-R52 PolarHBondContact O-N 3.31Å; D48-R52 VanDerWaalsContact O-N 3.14Å; E49-R52 PolarHBondContact O-N 2.64Å; E49-R52 IonicContact OE1-CZ 2.79Å; E49-R52 IonicContact OE1-NH1 3.94Å; E49-R52 PolarHBondContact OE1-NH1 2.96Å; E49-R52 IonicContact OE1-NH2 3.09Å; E49-R52 PolarHBondContact OE1-NH2 2.75Å; R52-S54 VanDerWaalsContact C-N 3.31Å; R52-S54 PolarHBondContact O-N 3.3Å; R52-I55 WeakPolarHBondContact O-CB 3.49Å; R52-I55 PolarHBondContact O-N 2.86Å; R52-I55 VanDerWaalsContact O-N 3.12Å; R52-K56 WeakPolarHBondContact O-CG 2.92Å; R52-K56 PolarHBondContact O-N 3.5Å; R52-K56 VanDerWaalsContact O-N 3.09Å
53D86.6Confident80.4Confident68 Ų6860.5 Ų60.536%0.36436%0.355SS..Hα-helixtrans-69.6-29.8-176-66.5-11.2000111.9E49 W51 I55 K56 A57E49-D53 WeakPolarHBondContact O-CB 3.42Å; E49-D53 PolarHBondContact O-N 3.46Å; W51-D53 PolarHBondContact O-N 3.45Å; D53-I55 VanDerWaalsContact C-N 3.26Å; D53-I55 PolarHBondContact O-N 3.39Å; D53-K56 PolarHBondContact O-N 2.77Å; D53-A57 WeakPolarHBondContact O-CB 3.4Å; D53-A57 PolarHBondContact O-N 3.33Å
54S85.4Confident80Confident37 Ų3765.6 Ų65.626%0.25937%0.374SS..Hα-helixtrans-65.5-27.8172.681.80000113.6N50 W51 R52 R74N50-S54 WeakPolarHBondContact O-CB 3.47Å; N50-S54 PolarHBondContact O-N 3.13Å; W51-S54 PolarHBondContact O-N 2.97Å; W51-S54 PolarHBondContact O-OG 3.12Å; R52-S54 VanDerWaalsContact C-N 3.31Å; R52-S54 PolarHBondContact O-N 3.3Å; S54-R74 PolarHBondContact OG-NH1 3.44Å; S54-R74 PolarHBondContact OG-NH2 2.89Å
55I84.6Confident79.8Confident0 Ų066.4 Ų66.40%037%0.369CS..Hα-helixtrans-77.7-45.3171.9-58.7-62.1000109.7A36 W51 R52 D53 A57 A58 V59 R74 L75A36-I55 HydrophobicContact CB-CB 4.27Å; A36-I55 HydrophobicContact CB-CG2 4.07Å; W51-I55 HydrophobicContact CZ2-CG1 4.46Å; W51-I55 PolarHBondContact O-N 3.36Å; R52-I55 WeakPolarHBondContact O-CB 3.49Å; R52-I55 PolarHBondContact O-N 2.86Å; R52-I55 VanDerWaalsContact O-N 3.12Å; D53-I55 VanDerWaalsContact C-N 3.26Å; D53-I55 PolarHBondContact O-N 3.39Å; I55-A57 PolarHBondContact O-N 3.09Å; I55-A58 WeakPolarHBondContact O-CB 3.2Å; I55-A58 PolarHBondContact O-N 3.03Å; I55-V59 WeakPolarHBondContact O-CG2 3.48Å; I55-V59 PolarHBondContact O-N 2.9Å; I55-R74 HydrophobicContact CD1-CB 4.13Å; I55-R74 HydrophobicContact CD1-CG 3.87Å; I55-L75 HydrophobicContact CG1-CD2 4.39Å; I55-L75 HydrophobicContact CG2-CD1 4.11Å; I55-L75 HydrophobicContact CG2-CD2 4.37Å; I55-L75 HydrophobicContact CG2-CG 4.21Å
56K81.9Confident79.7Confident51 Ų5167.3 Ų67.322%0.22236%0.356CS..Hα-helixtrans-57.9-45.2177.7-62.5-168.4167.7-177.50112.3E37 R52 D53 A58 V59 N60E37-K56 VanDerWaalsContact OE1-CE 3.31Å; E37-K56 WeakPolarHBondContact OE1-CE 3.4Å; E37-K56 IonicContact OE1-NZ 2.65Å; E37-K56 PolarHBondContact OE1-NZ 3.41Å; R52-K56 WeakPolarHBondContact O-CG 2.92Å; R52-K56 PolarHBondContact O-N 3.5Å; R52-K56 VanDerWaalsContact O-N 3.09Å; D53-K56 PolarHBondContact O-N 2.77Å; K56-A58 VanDerWaalsContact C-N 3.3Å; K56-A58 PolarHBondContact O-N 3.34Å; K56-V59 PolarHBondContact O-N 3.48Å; K56-V59 VanDerWaalsContact O-N 3.14Å; K56-N60 PolarHBondContact O-N 3.18Å
57A78Confident79.4Confident61 Ų6166.5 Ų66.550%0.50436%0.356SS..Hα-helixtrans-62.6-35.7179.200000112.9D53 I55 V59 S61D53-A57 WeakPolarHBondContact O-CB 3.4Å; D53-A57 PolarHBondContact O-N 3.33Å; I55-A57 PolarHBondContact O-N 3.09Å; A57-V59 PolarHBondContact O-N 3.35Å; A57-S61 PolarHBondContact O-OG 3.24Å
58A70.2Confident79Confident29 Ų2967.5 Ų67.524%0.2436%0.361CS..Hα-helixtrans-64.3-30.1177.600000112.1I55 K56 I67I55-A58 WeakPolarHBondContact O-CB 3.2Å; I55-A58 PolarHBondContact O-N 3.03Å; K56-A58 VanDerWaalsContact C-N 3.3Å; K56-A58 PolarHBondContact O-N 3.34Å; A58-I67 WeakPolarHBondContact O-CG2 3.27Å
59V67.2Low78.9Confident8 Ų864.3 Ų64.35%0.04834%0.343CS..Hα-helixtrans-101.9-31.4-170.8-167.90000113.6T31 H33 I55 K56 A57 S61 S62 A71T31-V59 HydrophobicContact CG2-CG1 3.46Å; T31-V59 VanDerWaalsContact CG2-CG1 3.46Å; T31-V59 WeakPolarHBondContact O-CG2 3.47Å; H33-V59 WeakPolarHBondContact CE1-CB 3.49Å; H33-V59 VanDerWaalsContact CE1-CG1 3.44Å; H33-V59 WeakPolarHBondContact CE1-CG1 3.37Å; I55-V59 WeakPolarHBondContact O-CG2 3.48Å; I55-V59 PolarHBondContact O-N 2.9Å; K56-V59 PolarHBondContact O-N 3.48Å; K56-V59 VanDerWaalsContact O-N 3.14Å; A57-V59 PolarHBondContact O-N 3.35Å; V59-S61 PolarHBondContact O-N 3.09Å; V59-S62 PolarHBondContact O-N 2.73Å; V59-A71 HydrophobicContact CG2-CB 3.46Å; V59-A71 VanDerWaalsContact CG2-CB 3.46Å
60N65Low78.7Confident132 Ų13264.6 Ų64.671%0.70634%0.343SS*.Hα-helixtrans-57.6-16.1170.8-80.3-14.6000113.2K56K56-N60 PolarHBondContact O-N 3.18Å
61S56Low78.6Confident97 Ų9758.7 Ų58.768%0.67831%0.312SS*.THydrogen-bonded Turntrans-87.4-9.6-174-63.70000116A57 V59A57-S61 PolarHBondContact O-OG 3.24Å; V59-S61 PolarHBondContact O-N 3.09Å
62S56.4Low78.5Confident50 Ų5056.9 Ų56.935%0.3531%0.305SS..  trans-171.9144.4-179.8-158.80000116.7V59 Y64V59-S62 PolarHBondContact O-N 2.73Å; S62-Y64 PolarHBondContact O-N 3.35Å; S62-Y64 PolarHBondContact OG-N 2.8Å
63S66Low78.5Confident109 Ų10961.2 Ų61.276%0.76232%0.321SS*.  trans-73.7-3.7170.2-164.50000113.7W65S63-W65 PolarHBondContact O-N 3.45Å
64Y80.8Confident78.7Confident118 Ų11862.7 Ų62.746%0.46332%0.322SS..  trans-75.8120.9-173.6-163.3-124.4000113.1S62 R66 I67 K68S62-Y64 PolarHBondContact O-N 3.35Å; S62-Y64 PolarHBondContact OG-N 2.8Å; Y64-R66 HydrophobicContact CD1-CB 3.7Å; Y64-R66 HydrophobicContact CD1-CG 4.1Å; Y64-R66 HydrophobicContact CE1-CB 3.72Å; Y64-R66 HydrophobicContact CE1-CG 3.65Å; Y64-R66 PolarHBondContact O-N 3.04Å; Y64-R66 PolarHBondContact OH-NH1 3.03Å; Y64-I67 WeakPolarHBondContact O-CB 3.27Å; Y64-I67 PolarHBondContact O-N 3.29Å; Y64-K68 PolarHBondContact O-N 2.96Å
65W82.7Confident78.9Confident78 Ų7860.9 Ų60.930%0.29531%0.309SS..Hα-helixtrans-53.9-29.8-175.472.7-95.7000114.4S63 I67 K68 A69 A103 R104S63-W65 PolarHBondContact O-N 3.45Å; W65-I67 VanDerWaalsContact C-N 3.25Å; W65-I67 PolarHBondContact O-N 3.21Å; W65-K68 PolarHBondContact O-N 3.37Å; W65-A69 HydrophobicContact CE3-CB 4.26Å; W65-A69 HydrophobicContact CZ3-CB 4.4Å; W65-A69 WeakPolarHBondContact O-CB 3.32Å; W65-A69 PolarHBondContact O-N 3.49Å; W65-A103 VanDerWaalsContact CB-O 3.23Å; W65-A103 WeakPolarHBondContact CB-O 3.46Å; W65-A103 HydrophobicContact CE3-CB 4.47Å; W65-A103 WeakPolarHBondContact O-CB 3.48Å; W65-R104 HydrophobicContact CD2-CB 4.04Å; W65-R104 HydrophobicContact CD2-CG 4.06Å; W65-R104 HydrophobicContact CE3-CB 3.94Å; W65-R104 HydrophobicContact CE3-CG 4.39Å; W65-R104 HydrophobicContact CG-CB 4.35Å; W65-R104 HydrophobicContact CG-CG 4.29Å; W65-R104 HydrophobicContact CZ3-CB 4.44Å
66R85.1Confident79.2Confident125 Ų12561.4 Ų61.447%0.47231%0.312SS..Hα-helixtrans-63.7-31.7178.1-66.6-171.1171.371.2-6.3112.5Y64 F70Y64-R66 HydrophobicContact CD1-CB 3.7Å; Y64-R66 HydrophobicContact CD1-CG 4.1Å; Y64-R66 HydrophobicContact CE1-CB 3.72Å; Y64-R66 HydrophobicContact CE1-CG 3.65Å; Y64-R66 PolarHBondContact O-N 3.04Å; Y64-R66 PolarHBondContact OH-NH1 3.03Å; R66-F70 PolarHBondContact O-N 3.45Å; R66-F70 VanDerWaalsContact O-N 3.09Å
67I82.8Confident79.6Confident57 Ų5766.7 Ų66.729%0.29234%0.335SS..Hα-helixtrans-74.7-42.8175.7-67.1169000109.8A58 Y64 W65 A69 F70 A71A58-I67 WeakPolarHBondContact O-CG2 3.27Å; Y64-I67 WeakPolarHBondContact O-CB 3.27Å; Y64-I67 PolarHBondContact O-N 3.29Å; W65-I67 VanDerWaalsContact C-N 3.25Å; W65-I67 PolarHBondContact O-N 3.21Å; I67-A69 VanDerWaalsContact C-N 3.32Å; I67-A69 PolarHBondContact O-N 3.41Å; I67-F70 WeakPolarHBondContact O-CB 3.48Å; I67-F70 PolarHBondContact O-N 3.33Å; I67-F70 VanDerWaalsContact O-N 3.1Å; I67-A71 PolarHBondContact O-N 3.33Å
68K84.3Confident80.1Confident23 Ų2364.6 Ų64.610%0.132%0.317CS..Hα-helixtrans-56.2-45.9171.3-55.4-167.8-173.9-169.50111.3D27 V30 T31 Y64 W65 F70 A71 L72 A103D27-K68 IonicContact OD1-NZ 2.85Å; D27-K68 PolarHBondContact OD1-NZ 3.3Å; V30-K68 HydrophobicContact CG1-CD 3.94Å; T31-K68 HydrophobicContact CG2-CD 4.02Å; T31-K68 HydrophobicContact CG2-CG 4.38Å; Y64-K68 PolarHBondContact O-N 2.96Å; W65-K68 PolarHBondContact O-N 3.37Å; K68-F70 VanDerWaalsContact C-N 3.29Å; K68-F70 PolarHBondContact O-N 3.42Å; K68-A71 PolarHBondContact O-N 2.96Å; K68-L72 WeakPolarHBondContact O-CB 3.29Å; K68-L72 WeakPolarHBondContact O-CG 3.27Å; K68-L72 PolarHBondContact O-N 3.48Å; K68-A103 HydrophobicContact CB-CB 3.97Å
69A87.2Confident81Confident0 Ų063.2 Ų63.20%031%0.306CS..Hα-helixtrans-64.5-30.317700000113.3W65 I67 R73 V99 A103W65-A69 HydrophobicContact CE3-CB 4.26Å; W65-A69 HydrophobicContact CZ3-CB 4.4Å; W65-A69 WeakPolarHBondContact O-CB 3.32Å; W65-A69 PolarHBondContact O-N 3.49Å; I67-A69 VanDerWaalsContact C-N 3.32Å; I67-A69 PolarHBondContact O-N 3.41Å; A69-R73 VanDerWaalsContact O-CB 3.32Å; A69-R73 WeakPolarHBondContact O-CB 3.44Å; A69-R73 VanDerWaalsContact O-CG 3.29Å; A69-R73 WeakPolarHBondContact O-CG 3.2Å; A69-R73 PolarHBondContact O-N 3.2Å; A69-R73 PolarHBondContact O-NE 3.07Å; A69-V99 HydrophobicContact CB-CG1 4.49Å; A69-V99 WeakPolarHBondContact O-CG1 3.34Å; A69-A103 HydrophobicContact CB-CB 3.58Å
70F85.1Confident82Confident116 Ų11665 Ų6551%0.50932%0.315SS..Hα-helixtrans-71.8-46.8174.3175.4-98.3000111.3R66 I67 K68 R73 R74R66-F70 PolarHBondContact O-N 3.45Å; R66-F70 VanDerWaalsContact O-N 3.09Å; I67-F70 WeakPolarHBondContact O-CB 3.48Å; I67-F70 PolarHBondContact O-N 3.33Å; I67-F70 VanDerWaalsContact O-N 3.1Å; K68-F70 VanDerWaalsContact C-N 3.29Å; K68-F70 PolarHBondContact O-N 3.42Å; F70-R73 PolarHBondContact O-N 2.9Å; F70-R74 PolarHBondContact O-N 3.21Å
71A85.8Confident83.2Confident1 Ų164 Ų641%0.00830%0.304CS..Hα-helixtrans-60-48.5177.700000112V59 I67 K68 R73 R74 L75V59-A71 HydrophobicContact CG2-CB 3.46Å; V59-A71 VanDerWaalsContact CG2-CB 3.46Å; I67-A71 PolarHBondContact O-N 3.33Å; K68-A71 PolarHBondContact O-N 2.96Å; A71-R73 VanDerWaalsContact C-N 3.34Å; A71-R73 PolarHBondContact O-N 2.84Å; A71-R74 WeakPolarHBondContact O-CB 3.49Å; A71-R74 PolarHBondContact O-N 3.07Å; A71-L75 PolarHBondContact O-N 2.77Å
72L89.7Confident84.8Confident0 Ų059.4 Ų59.40%027%0.272CS..Hα-helixtrans-63.2-35.4176.2-74.4174.6000113V30 F35 K68 R74 L75 M76 V99 I102 A103 F114V30-L72 WeakPolarHBondContact O-CD1 3.33Å; F35-L72 HydrophobicContact CD2-CD2 4.07Å; F35-L72 HydrophobicContact CE2-CD2 4.18Å; K68-L72 WeakPolarHBondContact O-CB 3.29Å; K68-L72 WeakPolarHBondContact O-CG 3.27Å; K68-L72 PolarHBondContact O-N 3.48Å; L72-R74 VanDerWaalsContact C-N 3.33Å; L72-L75 HydrophobicContact CD2-CD1 4.35Å; L72-L75 PolarHBondContact O-N 3.48Å; L72-M76 WeakPolarHBondContact O-CB 3.26Å; L72-M76 PolarHBondContact O-N 3.36Å; L72-V99 HydrophobicContact CB-CB 4.26Å; L72-V99 HydrophobicContact CB-CG1 3.17Å; L72-V99 HydrophobicContact CB-CG2 4.22Å; L72-V99 HydrophobicContact CD1-CG1 4.03Å; L72-V99 HydrophobicContact CG-CG1 4.27Å; L72-I102 HydrophobicContact CD1-CB 3.93Å; L72-I102 HydrophobicContact CD1-CG2 3.58Å; L72-A103 HydrophobicContact CD1-CB 4.39Å; L72-F114 HydrophobicContact CD2-CE2 4.23Å
73R89Confident86.2Confident125 Ų12557 Ų5747%0.47226%0.256SS..Hα-helixtrans-66.5-37.7175.3-87.9-177.6-73.9-167.7-0.5111.4A69 F70 A71 K77 V99A69-R73 VanDerWaalsContact O-CB 3.32Å; A69-R73 WeakPolarHBondContact O-CB 3.44Å; A69-R73 VanDerWaalsContact O-CG 3.29Å; A69-R73 WeakPolarHBondContact O-CG 3.2Å; A69-R73 PolarHBondContact O-N 3.2Å; A69-R73 PolarHBondContact O-NE 3.07Å; F70-R73 PolarHBondContact O-N 2.9Å; A71-R73 VanDerWaalsContact C-N 3.34Å; A71-R73 PolarHBondContact O-N 2.84Å; R73-K77 WeakPolarHBondContact O-CG 3.33Å; R73-K77 PolarHBondContact O-N 3.41Å; R73-V99 HydrophobicContact CB-CG1 4.49Å; R73-V99 HydrophobicContact CG-CB 4.05Å; R73-V99 HydrophobicContact CG-CG1 3.81Å; R73-V99 HydrophobicContact CG-CG2 4.32Å
74R89.3Confident87.1Confident99 Ų9954 Ų5437%0.37424%0.237SC..Hα-helixtrans-67.9-42.1176.2-169.4172.5168.2-162.2-8.5111.3S54 I55 F70 A71 L72 A78S54-R74 PolarHBondContact OG-NH1 3.44Å; S54-R74 PolarHBondContact OG-NH2 2.89Å; I55-R74 HydrophobicContact CD1-CB 4.13Å; I55-R74 HydrophobicContact CD1-CG 3.87Å; F70-R74 PolarHBondContact O-N 3.21Å; A71-R74 WeakPolarHBondContact O-CB 3.49Å; A71-R74 PolarHBondContact O-N 3.07Å; L72-R74 VanDerWaalsContact C-N 3.33Å; R74-A78 PolarHBondContact O-N 3.33Å; R74-A78 VanDerWaalsContact O-N 3.1Å
75L90.5Very high87.5Confident0 Ų053.7 Ų53.70%024%0.24CC..Hα-helixtrans-60.6-48.6172.3-75.2163.3000111.7G32 F35 A36 L39 W51 I55 A71 L72 K77 A78 L79 F114G32-L75 WeakPolarHBondContact O-CD1 3.35Å; F35-L75 HydrophobicContact CB-CD1 4.33Å; A36-L75 HydrophobicContact CB-CD2 3.99Å; L39-L75 HydrophobicContact CD1-CD2 4.24Å; W51-L75 HydrophobicContact CH2-CD2 3.53Å; W51-L75 HydrophobicContact CZ2-CD2 3.83Å; I55-L75 HydrophobicContact CG1-CD2 4.39Å; I55-L75 HydrophobicContact CG2-CD1 4.11Å; I55-L75 HydrophobicContact CG2-CD2 4.37Å; I55-L75 HydrophobicContact CG2-CG 4.21Å; A71-L75 PolarHBondContact O-N 2.77Å; L72-L75 HydrophobicContact CD2-CD1 4.35Å; L72-L75 PolarHBondContact O-N 3.48Å; L75-K77 PolarHBondContact O-N 3.31Å; L75-A78 PolarHBondContact O-N 3.02Å; L75-L79 WeakPolarHBondContact O-CB 3.1Å; L75-L79 PolarHBondContact O-N 3.21Å; L75-F114 HydrophobicContact CB-CZ 3.96Å
76M90.8Very high87.7Confident11 Ų1152.6 Ų52.65%0.05424%0.242CC..Hα-helixtrans-60.1-44.4179.5-177.5525300112.2L72 A78 L79 L80 I96 P97 V99 F114 L117L72-M76 WeakPolarHBondContact O-CB 3.26Å; L72-M76 PolarHBondContact O-N 3.36Å; M76-A78 VanDerWaalsContact C-N 3.34Å; M76-A78 PolarHBondContact O-N 3.44Å; M76-L79 HydrophobicContact CE-CD2 4.49Å; M76-L79 PolarHBondContact O-N 3.02Å; M76-L80 HydrophobicContact CG-CD1 4.03Å; M76-L80 HydrophobicContact CG-CG 4.45Å; M76-L80 WeakPolarHBondContact O-CB 3.27Å; M76-L80 VanDerWaalsContact O-CG 3.31Å; M76-L80 WeakPolarHBondContact O-CG 3.24Å; M76-L80 PolarHBondContact O-N 3.33Å; M76-L80 HydrophobicContact SD-CD1 3.94Å; M76-L80 HydrophobicContact SD-CD2 4.34Å; M76-L80 HydrophobicContact SD-CG 3.85Å; M76-I96 HydrophobicContact SD-CG2 4.42Å; M76-P97 HydrophobicContact CE-CB 4.2Å; M76-P97 VanDerWaalsContact CE-CD 3.41Å; M76-P97 HydrophobicContact CE-CG 3.54Å; M76-V99 HydrophobicContact CB-CG2 4.19Å; M76-F114 HydrophobicContact CB-CE2 4.26Å; M76-F114 HydrophobicContact CE-CD2 3.23Å; M76-F114 HydrophobicContact CE-CE1 4.5Å; M76-F114 HydrophobicContact CE-CE2 3.21Å; M76-F114 HydrophobicContact CE-CG 3.95Å; M76-F114 HydrophobicContact CE-CZ 3.87Å; M76-L117 HydrophobicContact CE-CD2 4.1Å; M76-L117 HydrophobicContact SD-CD2 3.83Å
77K89.3Confident87.6Confident161 Ų16147.3 Ų47.370%0.722%0.224SC*.Hα-helixtrans-59.9-43.6174.7-77-177.8177.8-174.50112.3R73 L75 K81R73-K77 WeakPolarHBondContact O-CG 3.33Å; R73-K77 PolarHBondContact O-N 3.41Å; L75-K77 PolarHBondContact O-N 3.31Å; K77-K81 WeakPolarHBondContact O-CB 3.44Å; K77-K81 PolarHBondContact O-N 3.13Å; K77-K81 VanDerWaalsContact O-N 3.09Å
78A89.5Confident87.5Confident17 Ų1751.2 Ų51.214%0.1425%0.245CC..Hα-helixtrans-66.6-41.1178.500000111.7F47 W51 R74 L75 M76 K81 Y82F47-A78 HydrophobicContact CE1-CB 4.17Å; W51-A78 HydrophobicContact CZ2-CB 3.75Å; R74-A78 PolarHBondContact O-N 3.33Å; R74-A78 VanDerWaalsContact O-N 3.1Å; L75-A78 PolarHBondContact O-N 3.02Å; M76-A78 VanDerWaalsContact C-N 3.34Å; M76-A78 PolarHBondContact O-N 3.44Å; A78-K81 PolarHBondContact O-N 3.42Å; A78-Y82 WeakPolarHBondContact O-CB 3.37Å; A78-Y82 PolarHBondContact O-N 3.08Å
79L89Confident87.4Confident0 Ų050.9 Ų50.90%025%0.245CC..Hα-helixtrans-65.5-43.7178.5-171.464.7000112.4L39 L75 M76 K81 Y82 N83 F114 L117 L118 S121L39-L79 HydrophobicContact CD1-CD1 4.22Å; L39-L79 HydrophobicContact CD2-CD1 3.51Å; L39-L79 HydrophobicContact CG-CD1 4.41Å; L75-L79 WeakPolarHBondContact O-CB 3.1Å; L75-L79 PolarHBondContact O-N 3.21Å; M76-L79 HydrophobicContact CE-CD2 4.49Å; M76-L79 PolarHBondContact O-N 3.02Å; L79-K81 VanDerWaalsContact C-N 3.35Å; L79-Y82 PolarHBondContact O-N 3.02Å; L79-N83 PolarHBondContact O-N 3.1Å; L79-N83 PolarHBondContact O-ND2 2.92Å; L79-F114 HydrophobicContact CD2-CE1 4.18Å; L79-L117 HydrophobicContact CD2-CB 4.21Å; L79-L117 HydrophobicContact CD2-CD2 3.69Å; L79-L117 HydrophobicContact CD2-CG 3.7Å; L79-L117 HydrophobicContact CG-CD2 4.18Å; L79-L117 HydrophobicContact CG-CG 4.15Å; L79-L118 HydrophobicContact CD1-CD1 4.28Å; L79-S121 VanDerWaalsContact CD1-OG 3.27Å; L79-S121 WeakPolarHBondContact CD1-OG 3.4Å
80L88.7Confident87Confident45 Ų4554.2 Ų54.224%0.23627%0.266CS..Hα-helixtrans-65.4-39.5176.1-70.5172.5000111.7M76 N83 A84 V91 I96 L117M76-L80 HydrophobicContact CG-CD1 4.03Å; M76-L80 HydrophobicContact CG-CG 4.45Å; M76-L80 WeakPolarHBondContact O-CB 3.27Å; M76-L80 VanDerWaalsContact O-CG 3.31Å; M76-L80 WeakPolarHBondContact O-CG 3.24Å; M76-L80 PolarHBondContact O-N 3.33Å; M76-L80 HydrophobicContact SD-CD1 3.94Å; M76-L80 HydrophobicContact SD-CD2 4.34Å; M76-L80 HydrophobicContact SD-CG 3.85Å; L80-N83 PolarHBondContact O-N 3.36Å; L80-A84 WeakPolarHBondContact O-CB 3.37Å; L80-A84 PolarHBondContact O-N 3.33Å; L80-A84 VanDerWaalsContact O-N 3.08Å; L80-V91 HydrophobicContact CD2-CB 4.17Å; L80-I96 HydrophobicContact CD1-CG2 4.46Å; L80-L117 HydrophobicContact CD2-CD2 4.08Å
81K89Confident86.5Confident112 Ų11249.7 Ų49.749%0.48725%0.248SC..Hα-helixtrans-64.2-46.8175.4-168.7-176.8178-170.20111.5K77 A78 L79 N83 A84 E85K77-K81 WeakPolarHBondContact O-CB 3.44Å; K77-K81 PolarHBondContact O-N 3.13Å; K77-K81 VanDerWaalsContact O-N 3.09Å; A78-K81 PolarHBondContact O-N 3.42Å; L79-K81 VanDerWaalsContact C-N 3.35Å; K81-N83 PolarHBondContact O-N 3.01Å; K81-A84 PolarHBondContact O-N 3.44Å; K81-E85 WeakPolarHBondContact CE-OE1 3.35Å; K81-E85 WeakPolarHBondContact CE-OE2 3.32Å; K81-E85 HydrophobicContact CG-CG 4.32Å; K81-E85 WeakPolarHBondContact CG-OE1 3.44Å; K81-E85 IonicContact NZ-OE1 2.63Å; K81-E85 WeakPolarHBondContact O-CB 3.48Å; K81-E85 WeakPolarHBondContact O-CG 3.16Å; K81-E85 PolarHBondContact O-N 2.7Å
82Y89.8Confident85.8Confident0 Ų053.9 Ų53.90%027%0.274CS..Hα-helixtrans-59.8-43.6176.2177.3-103.1000112.4D43 Y46 F47 A78 L79 A84 V86 C87 P126D43-Y82 HydrophobicContact CB-CE2 4.02Å; Y46-Y82 AromaticContact CD1-CD2 3.52Å; Y46-Y82 HydrophobicContact CD1-CD2 3.52Å; Y46-Y82 HydrophobicContact CD1-CE2 4.32Å; Y46-Y82 HydrophobicContact CD1-CG 4.3Å; Y46-Y82 HydrophobicContact CD2-CD2 4.14Å; Y46-Y82 AromaticContact CE1-CD2 3.9Å; Y46-Y82 HydrophobicContact CE1-CD2 3.9Å; Y46-Y82 HydrophobicContact CE1-CG 4.37Å; Y46-Y82 HydrophobicContact CE2-CD2 4.46Å; Y46-Y82 AromaticContact CG-CD2 3.65Å; Y46-Y82 HydrophobicContact CG-CD2 3.65Å; Y46-Y82 HydrophobicContact CG-CE2 4.11Å; F47-Y82 HydrophobicContact CE2-CD1 4.07Å; F47-Y82 AromaticContact CE2-CD2 3.63Å; F47-Y82 HydrophobicContact CE2-CD2 3.63Å; F47-Y82 HydrophobicContact CE2-CE1 4.33Å; F47-Y82 AromaticContact CE2-CE2 3.91Å; F47-Y82 HydrophobicContact CE2-CE2 3.91Å; F47-Y82 AromaticContact CE2-CG 3.71Å; F47-Y82 HydrophobicContact CE2-CG 3.71Å; F47-Y82 HydrophobicContact CZ-CD1 4.22Å; F47-Y82 AromaticContact CZ-CD2 3.91Å; F47-Y82 HydrophobicContact CZ-CD2 3.91Å; F47-Y82 AromaticContact CZ-CG 3.67Å; F47-Y82 HydrophobicContact CZ-CG 3.67Å; A78-Y82 WeakPolarHBondContact O-CB 3.37Å; A78-Y82 PolarHBondContact O-N 3.08Å; L79-Y82 PolarHBondContact O-N 3.02Å; Y82-A84 PolarHBondContact O-N 3.07Å; Y82-V86 HydrophobicContact CD2-CB 3.79Å; Y82-V86 HydrophobicContact CD2-CG1 4.29Å; Y82-V86 HydrophobicContact CD2-CG2 3.68Å; Y82-V86 HydrophobicContact CE2-CB 3.71Å; Y82-V86 HydrophobicContact CE2-CG1 3.69Å; Y82-V86 HydrophobicContact CE2-CG2 3.9Å; Y82-V86 HydrophobicContact CG-CB 4.49Å; Y82-V86 WeakPolarHBondContact O-CB 3.28Å; Y82-V86 PolarHBondContact O-N 3.42Å; Y82-C87 WeakPolarHBondContact CE1-SG 3.39Å; Y82-C87 PolarHBondContact O-N 3.2Å; Y82-P126 WeakPolarHBondContact OH-CD 3.48Å
83N85.9Confident84.5Confident1 Ų156.6 Ų56.61%0.00530%0.301CS..Hα-helixtrans-62.5-41175.8-87.1-72.8000113.1L79 L80 K81 N88 N89 S121L79-N83 PolarHBondContact O-N 3.1Å; L79-N83 PolarHBondContact O-ND2 2.92Å; L80-N83 PolarHBondContact O-N 3.36Å; K81-N83 PolarHBondContact O-N 3.01Å; N83-N88 PolarHBondContact O-N 3.43Å; N83-N89 CarbonylContact O-C 3.56Å; N83-N89 PolarHBondContact O-N 2.84Å; N83-S121 PolarHBondContact ND2-OG 2.62Å; N83-S121 PolarHBondContact OD1-OG 3.45Å
84A86.3Confident83.5Confident45 Ų4561.9 Ų61.937%0.37232%0.321SS..Hα-helixtrans-72.8-40.7-179.600000112.9L80 K81 Y82 P90L80-A84 WeakPolarHBondContact O-CB 3.37Å; L80-A84 PolarHBondContact O-N 3.33Å; L80-A84 VanDerWaalsContact O-N 3.08Å; K81-A84 PolarHBondContact O-N 3.44Å; Y82-A84 PolarHBondContact O-N 3.07Å; A84-P90 HydrophobicContact CB-CB 4.37Å
85E87.8Confident82.7Confident112 Ų11258.3 Ų58.352%0.52331%0.309SS..Hα-helixtrans-92.3-38.6-171.9-67.3176.5176.200114.1Y46 K81Y46-E85 PolarHBondContact OH-OE2 3.08Å; K81-E85 WeakPolarHBondContact CE-OE1 3.35Å; K81-E85 WeakPolarHBondContact CE-OE2 3.32Å; K81-E85 HydrophobicContact CG-CG 4.32Å; K81-E85 WeakPolarHBondContact CG-OE1 3.44Å; K81-E85 IonicContact NZ-OE1 2.63Å; K81-E85 WeakPolarHBondContact O-CB 3.48Å; K81-E85 WeakPolarHBondContact O-CG 3.16Å; K81-E85 PolarHBondContact O-N 2.7Å
86V87.4Confident82.4Confident55 Ų5561.7 Ų61.733%0.33333%0.326SS..THydrogen-bonded Turntrans-103.5-49.4-172.1-176.10000111Y46 Y82 N88Y46-V86 HydrophobicContact CD2-CG2 3.65Å; Y46-V86 HydrophobicContact CE2-CG2 3.66Å; Y46-V86 HydrophobicContact CG-CG2 4.41Å; Y82-V86 HydrophobicContact CD2-CB 3.79Å; Y82-V86 HydrophobicContact CD2-CG1 4.29Å; Y82-V86 HydrophobicContact CD2-CG2 3.68Å; Y82-V86 HydrophobicContact CE2-CB 3.71Å; Y82-V86 HydrophobicContact CE2-CG1 3.69Å; Y82-V86 HydrophobicContact CE2-CG2 3.9Å; Y82-V86 HydrophobicContact CG-CB 4.49Å; Y82-V86 WeakPolarHBondContact O-CB 3.28Å; Y82-V86 PolarHBondContact O-N 3.42Å; V86-N88 PolarHBondContact O-N 3.31Å
87C83.4Confident82.1Confident14 Ų1461.4 Ų61.410%0.09533%0.326CS..SBendtrans-77.2-9.6-179.5-56.90000113.4Y82 N89 H124Y82-C87 WeakPolarHBondContact CE1-SG 3.39Å; Y82-C87 PolarHBondContact O-N 3.2Å; C87-N89 HydrophobicContact CB-CB 4.14Å; C87-N89 PolarHBondContact O-N 3.17Å; C87-N89 VanDerWaalsContact O-N 3.08Å; C87-H124 HydrophobicContact CB-CB 3.71Å
88N80.9Confident82Confident138 Ų13856.9 Ų56.974%0.73831%0.309SS*.SBendtrans48.632.1-169.6-83.6-21.6000113.5N83 V86 P90N83-N88 PolarHBondContact O-N 3.43Å; V86-N88 PolarHBondContact O-N 3.31Å; N88-P90 WeakPolarHBondContact O-CD 3.42Å
89N81.3Confident81.9Confident17 Ų1756.5 Ų56.59%0.09131%0.305CS..  trans-124.868.6-175.5-166.621000110.8N83 C87 V91 H124 K157N83-N89 CarbonylContact O-C 3.56Å; N83-N89 PolarHBondContact O-N 2.84Å; C87-N89 HydrophobicContact CB-CB 4.14Å; C87-N89 PolarHBondContact O-N 3.17Å; C87-N89 VanDerWaalsContact O-N 3.08Å; N89-V91 PolarHBondContact O-N 3.1Å; N89-H124 PolarHBondContact ND2-CE1 3.4Å; N89-H124 PolarHBondContact ND2-ND1 3.29Å; N89-K157 WeakPolarHBondContact OD1-CE 3.34Å; N89-K157 PolarHBondContact OD1-NZ 2.85Å
90P78.2Confident81.9Confident70 Ų7059.1 Ų59.146%0.45532%0.321SS..  trans-63.1131.3-178.125.4-34000110.8A84 N88 K157A84-P90 HydrophobicContact CB-CB 4.37Å; N88-P90 WeakPolarHBondContact O-CD 3.42Å; P90-K157 WeakPolarHBondContact O-CE 3.17Å; P90-K157 PolarHBondContact O-NZ 3.48Å; P90-K157 VanDerWaalsContact O-NZ 3.08Å
91V74.9Confident81.9Confident21 Ų2159.5 Ų59.513%0.12732%0.323CS..  trans-103.6129.7-178.7-179.50000109.9L80 N89 I95 L117 L153L80-V91 HydrophobicContact CD2-CB 4.17Å; N89-V91 PolarHBondContact O-N 3.1Å; V91-I95 HydrophobicContact CG1-CB 4.28Å; V91-I95 HydrophobicContact CG1-CG2 4.48Å; V91-L117 HydrophobicContact CB-CD1 4.15Å; V91-L117 HydrophobicContact CG1-CD1 4.09Å; V91-L117 HydrophobicContact CG2-CD1 3.56Å; V91-L153 HydrophobicContact CG1-CD2 3.97Å; V91-L153 HydrophobicContact CG2-CD2 4.18Å
92T70.5Confident81.9Confident89 Ų8954.2 Ų54.255%0.54630%0.3SS..  trans-117.8142-175.353.20000113R94T92-R94 PolarHBondContact O-N 3.03Å
93G64.2Low81.8Confident56 Ų5654.4 Ų54.458%0.57730%0.302SS*.G310 helixtrans61-101.4158.900000116.4I95 I96G93-I95 VanDerWaalsContact C-N 3.27Å; G93-I95 PolarHBondContact O-N 2.79Å; G93-I96 PolarHBondContact O-N 3.32Å
94R67.3Low81.8Confident237 Ų23761.1 Ų61.189%0.89433%0.327SS*.G310 helixtrans-70.6-16.4-160.9-76.4-169.9176.3-155.9-1.2115.3T92T92-R94 PolarHBondContact O-N 3.03Å
95I72.9Confident82Confident23 Ų2362.9 Ų62.912%0.11833%0.33CS..G310 helixtrans-99.9-3.6-176.2-61.2158.7000112V91 G93 P97 L153 S156V91-I95 HydrophobicContact CG1-CB 4.28Å; V91-I95 HydrophobicContact CG1-CG2 4.48Å; G93-I95 VanDerWaalsContact C-N 3.27Å; G93-I95 PolarHBondContact O-N 2.79Å; I95-P97 WeakPolarHBondContact O-CD 3.43Å; I95-L153 HydrophobicContact CB-CD2 4.24Å; I95-L153 HydrophobicContact CD1-CD2 3.83Å; I95-L153 HydrophobicContact CD1-CG 4.14Å; I95-L153 HydrophobicContact CG2-CD2 3.5Å; I95-L153 HydrophobicContact CG2-CG 4.01Å; I95-S156 WeakPolarHBondContact CD1-OG 3.35Å
96I82.6Confident81.9Confident71 Ų7161.3 Ų61.336%0.36433%0.325SS..SBendtrans-69.9117.3176.5-58.2173.7000108.6M76 L80 G93M76-I96 HydrophobicContact SD-CG2 4.42Å; L80-I96 HydrophobicContact CD1-CG2 4.46Å; G93-I96 PolarHBondContact O-N 3.32Å
97P86.3Confident82.1Confident6 Ų660 Ų604%0.03932%0.318CS..  trans-66.9140-179-18.931.5000113.1M76 I95 V99 I102 E110 K113 F114M76-P97 HydrophobicContact CE-CB 4.2Å; M76-P97 VanDerWaalsContact CE-CD 3.41Å; M76-P97 HydrophobicContact CE-CG 3.54Å; I95-P97 WeakPolarHBondContact O-CD 3.43Å; P97-V99 PolarHBondContact O-N 3.49Å; P97-V99 VanDerWaalsContact O-N 3.12Å; P97-I102 HydrophobicContact CB-CD1 4.46Å; P97-E110 WeakPolarHBondContact CA-OE2 3.21Å; P97-K113 HydrophobicContact CB-CB 4.17Å; P97-K113 HydrophobicContact CG-CB 3.82Å; P97-F114 HydrophobicContact CB-CB 4.17Å; P97-F114 HydrophobicContact CB-CD2 4.26Å; P97-F114 HydrophobicContact CG-CB 3.84Å; P97-F114 HydrophobicContact CG-CD2 4.17Å; P97-F114 HydrophobicContact CG-CG 4.32Å
98D87.3Confident82.3Confident66 Ų6661.1 Ų61.135%0.35332%0.323SS..  trans-78.597.7170.3-169.2-19.1000110.9T100 L101 I102 E110D98-T100 PolarHBondContact O-N 3.14Å; D98-T100 WeakPolarHBondContact OD1-CB 3.49Å; D98-T100 PolarHBondContact OD1-N 3.13Å; D98-T100 PolarHBondContact OD1-OG1 3.25Å; D98-L101 HydrophobicContact CB-CB 4.43Å; D98-L101 HydrophobicContact CB-CD1 4.05Å; D98-L101 HydrophobicContact CB-CG 4.25Å; D98-L101 PolarHBondContact O-N 3.33Å; D98-I102 PolarHBondContact O-N 3.21Å; D98-E110 HydrophobicContact CB-CG 4.14Å; D98-E110 PolarHBondContact N-OE2 3.34Å
99V87.4Confident82.6Confident9 Ų957.3 Ų57.36%0.05531%0.306CS..Hα-helixtrans-58.9-29.1178.6171.60000113.5A69 L72 R73 M76 P97 A103A69-V99 HydrophobicContact CB-CG1 4.49Å; A69-V99 WeakPolarHBondContact O-CG1 3.34Å; L72-V99 HydrophobicContact CB-CB 4.26Å; L72-V99 HydrophobicContact CB-CG1 3.17Å; L72-V99 HydrophobicContact CB-CG2 4.22Å; L72-V99 HydrophobicContact CD1-CG1 4.03Å; L72-V99 HydrophobicContact CG-CG1 4.27Å; R73-V99 HydrophobicContact CB-CG1 4.49Å; R73-V99 HydrophobicContact CG-CB 4.05Å; R73-V99 HydrophobicContact CG-CG1 3.81Å; R73-V99 HydrophobicContact CG-CG2 4.32Å; M76-V99 HydrophobicContact CB-CG2 4.19Å; P97-V99 PolarHBondContact O-N 3.49Å; P97-V99 VanDerWaalsContact O-N 3.12Å; V99-A103 WeakPolarHBondContact O-CB 3.36Å; V99-A103 PolarHBondContact O-N 2.99Å; V99-A103 VanDerWaalsContact O-N 3.11Å
100T88.3Confident83Confident54 Ų5457.6 Ų57.633%0.33131%0.307SS..Hα-helixtrans-73.3-38-177.163.80000112D98 A103 R104D98-T100 PolarHBondContact O-N 3.14Å; D98-T100 WeakPolarHBondContact OD1-CB 3.49Å; D98-T100 PolarHBondContact OD1-N 3.13Å; D98-T100 PolarHBondContact OD1-OG1 3.25Å; T100-A103 PolarHBondContact O-N 3.27Å; T100-R104 WeakPolarHBondContact O-CB 3.31Å; T100-R104 PolarHBondContact O-N 3.1Å
101L88.9Confident83.5Confident54 Ų5454.3 Ų54.328%0.28329%0.285SS..Hα-helixtrans-67-37.3174.4-67.6177.8000111.9D98 D105 N106 S107 E110D98-L101 HydrophobicContact CB-CB 4.43Å; D98-L101 HydrophobicContact CB-CD1 4.05Å; D98-L101 HydrophobicContact CB-CG 4.25Å; D98-L101 PolarHBondContact O-N 3.33Å; L101-D105 WeakPolarHBondContact CD2-OD2 3.46Å; L101-D105 CarbonylContact O-C 3.54Å; L101-D105 WeakPolarHBondContact O-CA 3.49Å; L101-D105 WeakPolarHBondContact O-CB 3.49Å; L101-D105 PolarHBondContact O-N 3.36Å; L101-N106 PolarHBondContact O-N 3.41Å; L101-S107 PolarHBondContact O-N 3.4Å; L101-E110 HydrophobicContact CB-CG 4.2Å; L101-E110 HydrophobicContact CD1-CG 4.18Å
102I88.3Confident84.2Confident0 Ų053.4 Ų53.40%028%0.28CS..Hα-helixtrans-61.4-51.7173.6-59.9173.2000109.9V30 L72 P97 D98 N106 E110 L111 F114V30-I102 HydrophobicContact CG1-CG2 4.5Å; V30-I102 WeakPolarHBondContact CG1-O 3.18Å; V30-I102 HydrophobicContact CG2-CG2 4.49Å; L72-I102 HydrophobicContact CD1-CB 3.93Å; L72-I102 HydrophobicContact CD1-CG2 3.58Å; P97-I102 HydrophobicContact CB-CD1 4.46Å; D98-I102 PolarHBondContact O-N 3.21Å; I102-N106 VanDerWaalsContact O-CA 3.26Å; I102-N106 WeakPolarHBondContact O-CA 3.41Å; I102-N106 PolarHBondContact O-N 2.91Å; I102-N106 VanDerWaalsContact O-N 3.11Å; I102-E110 HydrophobicContact CD1-CB 3.94Å; I102-E110 HydrophobicContact CG1-CB 3.51Å; I102-L111 HydrophobicContact CD1-CG 4.47Å; I102-L111 HydrophobicContact CG1-CG 4.31Å; I102-L111 HydrophobicContact CG2-CD1 4.24Å; I102-L111 HydrophobicContact CG2-CD2 4.18Å; I102-L111 HydrophobicContact CG2-CG 3.85Å; I102-F114 HydrophobicContact CD1-CB 4.44Å; I102-F114 HydrophobicContact CD1-CD2 4.27Å
103A87Confident85Confident4 Ų452.1 Ų52.13%0.03327%0.267CS..Hα-helixtrans-69.3-37.6-172.600000114.1W65 K68 A69 L72 V99 T100W65-A103 VanDerWaalsContact CB-O 3.23Å; W65-A103 WeakPolarHBondContact CB-O 3.46Å; W65-A103 HydrophobicContact CE3-CB 4.47Å; W65-A103 WeakPolarHBondContact O-CB 3.48Å; K68-A103 HydrophobicContact CB-CB 3.97Å; A69-A103 HydrophobicContact CB-CB 3.58Å; L72-A103 HydrophobicContact CD1-CB 4.39Å; V99-A103 WeakPolarHBondContact O-CB 3.36Å; V99-A103 PolarHBondContact O-N 2.99Å; V99-A103 VanDerWaalsContact O-N 3.11Å; T100-A103 PolarHBondContact O-N 3.27Å
104R86.9Confident86.3Confident142 Ų14249.5 Ų49.554%0.53624%0.24SC..Hα-helixtrans-89-44.9-175.5-167.4-173.871.3-169.6-4.8112.5W65 T100W65-R104 HydrophobicContact CD2-CB 4.04Å; W65-R104 HydrophobicContact CD2-CG 4.06Å; W65-R104 HydrophobicContact CE3-CB 3.94Å; W65-R104 HydrophobicContact CE3-CG 4.39Å; W65-R104 HydrophobicContact CG-CB 4.35Å; W65-R104 HydrophobicContact CG-CG 4.29Å; W65-R104 HydrophobicContact CZ3-CB 4.44Å; T100-R104 WeakPolarHBondContact O-CB 3.31Å; T100-R104 PolarHBondContact O-N 3.1Å
105D89.5Confident87.4Confident82 Ų8238.2 Ų38.244%0.43920%0.197SC..Hα-helixtrans-1143-166.1-53.4-31.6000112.4L101 S107L101-D105 WeakPolarHBondContact CD2-OD2 3.46Å; L101-D105 CarbonylContact O-C 3.54Å; L101-D105 WeakPolarHBondContact O-CA 3.49Å; L101-D105 WeakPolarHBondContact O-CB 3.49Å; L101-D105 PolarHBondContact O-N 3.36Å; D105-S107 PolarHBondContact O-N 3.36Å
106N87.3Confident88.1Confident80 Ų8038.1 Ų38.143%0.42820%0.196SC..  trans51.737.6-174.9-58.5-27.3000112.5V30 L101 I102 L108V30-N106 WeakPolarHBondContact CG1-OD1 3.12Å; V30-N106 HydrophobicContact CG2-CB 4.27Å; V30-N106 WeakPolarHBondContact CG2-OD1 3.46Å; L101-N106 PolarHBondContact O-N 3.41Å; I102-N106 VanDerWaalsContact O-CA 3.26Å; I102-N106 WeakPolarHBondContact O-CA 3.41Å; I102-N106 PolarHBondContact O-N 2.91Å; I102-N106 VanDerWaalsContact O-N 3.11Å; N106-L108 PolarHBondContact O-N 3.28Å
107S89.8Confident88.3Confident26 Ų2634.7 Ų34.718%0.18218%0.179CC..  trans-58.7110.6-173.2-179.60000112.5L101 D105 P109 E110 L111L101-S107 PolarHBondContact O-N 3.4Å; D105-S107 PolarHBondContact O-N 3.36Å; S107-P109 WeakPolarHBondContact OG-CD 3.4Å; S107-E110 PolarHBondContact O-N 3.01Å; S107-L111 PolarHBondContact O-N 2.99Å; S107-L111 VanDerWaalsContact O-N 3.11Å
108L87.6Confident88.4Confident39 Ų3934.4 Ų34.420%0.20418%0.177CC..Hα-helixtrans-59.1-42178-165.273.6000112.4F7 N106 E110 L111 V112F7-L108 HydrophobicContact CB-CD1 3.98Å; F7-L108 HydrophobicContact CB-CG 4.37Å; F7-L108 HydrophobicContact CD1-CD1 3.72Å; F7-L108 HydrophobicContact CD2-CD1 3.44Å; F7-L108 VanDerWaalsContact CD2-CD1 3.44Å; F7-L108 HydrophobicContact CD2-CG 4.38Å; F7-L108 HydrophobicContact CE1-CD1 3.99Å; F7-L108 HydrophobicContact CE2-CD1 3.72Å; F7-L108 HydrophobicContact CG-CD1 3.43Å; F7-L108 VanDerWaalsContact CG-CD1 3.43Å; F7-L108 HydrophobicContact CG-CG 4.31Å; F7-L108 HydrophobicContact CZ-CD1 3.99Å; N106-L108 PolarHBondContact O-N 3.28Å; L108-E110 PolarHBondContact O-N 3.47Å; L108-L111 WeakPolarHBondContact O-CB 3.24Å; L108-L111 PolarHBondContact O-N 3.47Å; L108-V112 WeakPolarHBondContact O-CG2 3.43Å; L108-V112 PolarHBondContact O-N 3.21Å
109P87.2Confident88.5Confident58 Ų5831.3 Ų31.338%0.37716%0.16SC..Hα-helixtrans-63.3-38.6180-24.835.3000115.7M3 S107 V112 K113M3-P109 HydrophobicContact CE-CB 3.45Å; M3-P109 VanDerWaalsContact CE-CB 3.45Å; M3-P109 HydrophobicContact CE-CG 3.79Å; S107-P109 WeakPolarHBondContact OG-CD 3.4Å; P109-V112 PolarHBondContact O-N 2.89Å; P109-K113 WeakPolarHBondContact O-CG 3.5Å; P109-K113 PolarHBondContact O-N 2.98Å; P109-K113 VanDerWaalsContact O-N 3.15Å
110E90Very high88.3Confident23 Ų2330.9 Ų30.911%0.10716%0.158CC..Hα-helixtrans-75-32.7177.9-59.2-54.7137.200111P97 D98 L101 I102 S107 L108 K113 F114P97-E110 WeakPolarHBondContact CA-OE2 3.21Å; D98-E110 HydrophobicContact CB-CG 4.14Å; D98-E110 PolarHBondContact N-OE2 3.34Å; L101-E110 HydrophobicContact CB-CG 4.2Å; L101-E110 HydrophobicContact CD1-CG 4.18Å; I102-E110 HydrophobicContact CD1-CB 3.94Å; I102-E110 HydrophobicContact CG1-CB 3.51Å; S107-E110 PolarHBondContact O-N 3.01Å; L108-E110 PolarHBondContact O-N 3.47Å; E110-K113 PolarHBondContact O-N 2.83Å; E110-K113 IonicContact OE1-NZ 2.77Å; E110-K113 PolarHBondContact OE1-NZ 2.94Å; E110-K113 WeakPolarHBondContact OE2-CD 3.44Å; E110-K113 IonicContact OE2-NZ 2.9Å; E110-K113 PolarHBondContact OE2-NZ 3.19Å; E110-F114 PolarHBondContact O-N 3.45Å
111L89.3Confident88.2Confident0 Ų028.3 Ų28.30%014%0.142CC..Hα-helixtrans-60.2-45.2170-94.1157.5000112.3F7 L26 L29 V30 F35 I102 S107 L108 F114 M115F7-L111 HydrophobicContact CE2-CB 4.33Å; L26-L111 HydrophobicContact CD1-CD1 4.02Å; L29-L111 HydrophobicContact CB-CD2 3.77Å; V30-L111 HydrophobicContact CG2-CD1 4.13Å; F35-L111 HydrophobicContact CE2-CD2 4.26Å; F35-L111 HydrophobicContact CZ-CD2 3.94Å; I102-L111 HydrophobicContact CD1-CG 4.47Å; I102-L111 HydrophobicContact CG1-CG 4.31Å; I102-L111 HydrophobicContact CG2-CD1 4.24Å; I102-L111 HydrophobicContact CG2-CD2 4.18Å; I102-L111 HydrophobicContact CG2-CG 3.85Å; S107-L111 PolarHBondContact O-N 2.99Å; S107-L111 VanDerWaalsContact O-N 3.11Å; L108-L111 WeakPolarHBondContact O-CB 3.24Å; L108-L111 PolarHBondContact O-N 3.47Å; L111-F114 WeakPolarHBondContact O-CB 3.43Å; L111-F114 PolarHBondContact O-N 3.42Å; L111-M115 WeakPolarHBondContact O-CG 3.43Å; L111-M115 PolarHBondContact O-N 3.04Å
112V89.6Confident88.1Confident3 Ų325.8 Ų25.82%0.01813%0.129CC..Hα-helixtrans-61.5-48.4177.1170.40000110.6M3 V6 F7 L10 L108 P109 F114 M115 Q116M3-V112 HydrophobicContact CE-CB 4.16Å; M3-V112 HydrophobicContact CE-CG1 4.49Å; M3-V112 HydrophobicContact CE-CG2 4.22Å; M3-V112 HydrophobicContact SD-CG1 4.49Å; V6-V112 HydrophobicContact CG1-CG1 3.72Å; F7-V112 HydrophobicContact CB-CG2 3.84Å; F7-V112 HydrophobicContact CD2-CG2 4.14Å; L10-V112 HydrophobicContact CD1-CG1 4.14Å; L108-V112 WeakPolarHBondContact O-CG2 3.43Å; L108-V112 PolarHBondContact O-N 3.21Å; P109-V112 PolarHBondContact O-N 2.89Å; V112-F114 PolarHBondContact O-N 3.13Å; V112-M115 WeakPolarHBondContact O-CB 3.47Å; V112-M115 PolarHBondContact O-N 2.97Å; V112-M115 VanDerWaalsContact O-N 3.1Å; V112-Q116 HydrophobicContact CG1-CG 4.14Å; V112-Q116 VanDerWaalsContact O-CG 3.28Å; V112-Q116 WeakPolarHBondContact O-CG 3.04Å; V112-Q116 PolarHBondContact O-N 3.24Å
113K88.3Confident88Confident62 Ų6226.9 Ų26.927%0.2714%0.135SC..Hα-helixtrans-56.1-40.1175.7-68.7173.2-172.9168.30112.2P97 P109 E110 Q116 L117P97-K113 HydrophobicContact CB-CB 4.17Å; P97-K113 HydrophobicContact CG-CB 3.82Å; P109-K113 WeakPolarHBondContact O-CG 3.5Å; P109-K113 PolarHBondContact O-N 2.98Å; P109-K113 VanDerWaalsContact O-N 3.15Å; E110-K113 PolarHBondContact O-N 2.83Å; E110-K113 IonicContact OE1-NZ 2.77Å; E110-K113 PolarHBondContact OE1-NZ 2.94Å; E110-K113 WeakPolarHBondContact OE2-CD 3.44Å; E110-K113 IonicContact OE2-NZ 2.9Å; E110-K113 PolarHBondContact OE2-NZ 3.19Å; K113-Q116 PolarHBondContact O-N 3.24Å; K113-L117 WeakPolarHBondContact O-CB 3.35Å; K113-L117 PolarHBondContact O-N 3.45Å
114F90.2Very high87.9Confident0 Ų029.5 Ų29.50%015%0.147CC..Hα-helixtrans-64.2-45.9177.1-159.5-65.2000111.6F35 L72 L75 M76 L79 P97 I102 E110 L111 V112 L117 L118F35-F114 HydrophobicContact CB-CE1 3.94Å; F35-F114 HydrophobicContact CD1-CD1 4.06Å; F35-F114 HydrophobicContact CD1-CE1 4.12Å; F35-F114 AromaticContact CD2-CD1 3.63Å; F35-F114 HydrophobicContact CD2-CD1 3.63Å; F35-F114 AromaticContact CD2-CE1 3.39Å; F35-F114 HydrophobicContact CD2-CE1 3.39Å; F35-F114 HydrophobicContact CD2-CG 4.37Å; F35-F114 AromaticContact CD2-CZ 3.91Å; F35-F114 HydrophobicContact CD2-CZ 3.91Å; F35-F114 AromaticContact CE1-CD1 3.97Å; F35-F114 HydrophobicContact CE1-CD1 3.97Å; F35-F114 HydrophobicContact CE1-CE1 4.47Å; F35-F114 AromaticContact CE2-CD1 3.56Å; F35-F114 HydrophobicContact CE2-CD1 3.56Å; F35-F114 AromaticContact CE2-CE1 3.83Å; F35-F114 HydrophobicContact CE2-CE1 3.83Å; F35-F114 AromaticContact CE2-CG 3.96Å; F35-F114 HydrophobicContact CE2-CG 3.96Å; F35-F114 HydrophobicContact CE2-CZ 4.4Å; F35-F114 AromaticContact CG-CD1 3.89Å; F35-F114 HydrophobicContact CG-CD1 3.89Å; F35-F114 AromaticContact CG-CE1 3.55Å; F35-F114 HydrophobicContact CG-CE1 3.55Å; F35-F114 HydrophobicContact CG-CZ 4.39Å; F35-F114 HydrophobicContact CZ-CB 4.38Å; F35-F114 AromaticContact CZ-CD1 3.72Å; F35-F114 HydrophobicContact CZ-CD1 3.72Å; F35-F114 HydrophobicContact CZ-CE1 4.34Å; F35-F114 HydrophobicContact CZ-CG 4.19Å; L72-F114 HydrophobicContact CD2-CE2 4.23Å; L75-F114 HydrophobicContact CB-CZ 3.96Å; M76-F114 HydrophobicContact CB-CE2 4.26Å; M76-F114 HydrophobicContact CE-CD2 3.23Å; M76-F114 HydrophobicContact CE-CE1 4.5Å; M76-F114 HydrophobicContact CE-CE2 3.21Å; M76-F114 HydrophobicContact CE-CG 3.95Å; M76-F114 HydrophobicContact CE-CZ 3.87Å; L79-F114 HydrophobicContact CD2-CE1 4.18Å; P97-F114 HydrophobicContact CB-CB 4.17Å; P97-F114 HydrophobicContact CB-CD2 4.26Å; P97-F114 HydrophobicContact CG-CB 3.84Å; P97-F114 HydrophobicContact CG-CD2 4.17Å; P97-F114 HydrophobicContact CG-CG 4.32Å; I102-F114 HydrophobicContact CD1-CB 4.44Å; I102-F114 HydrophobicContact CD1-CD2 4.27Å; E110-F114 PolarHBondContact O-N 3.45Å; L111-F114 WeakPolarHBondContact O-CB 3.43Å; L111-F114 PolarHBondContact O-N 3.42Å; V112-F114 PolarHBondContact O-N 3.13Å; F114-L117 PolarHBondContact O-N 3.15Å; F114-L118 PolarHBondContact O-N 2.73Å
115M90.8Very high87.7Confident1 Ų123.2 Ų23.21%0.00513%0.126CC..Hα-helixtrans-64-40.8176.8-71.1177.6176.800112.5F7 L10 I14 L29 F35 L111 V112 L117 L118 V119F7-M115 HydrophobicContact CD2-CE 3.88Å; F7-M115 HydrophobicContact CD2-SD 3.93Å; F7-M115 HydrophobicContact CE2-CE 3.41Å; F7-M115 VanDerWaalsContact CE2-CE 3.41Å; F7-M115 HydrophobicContact CE2-SD 4.1Å; F7-M115 HydrophobicContact CZ-CE 4.2Å; L10-M115 HydrophobicContact CB-CB 4.17Å; L10-M115 HydrophobicContact CB-CG 4.5Å; L10-M115 HydrophobicContact CB-SD 3.62Å; L10-M115 HydrophobicContact CD1-CB 3.75Å; L10-M115 HydrophobicContact CD1-SD 4.24Å; L10-M115 HydrophobicContact CG-CB 4.39Å; I14-M115 HydrophobicContact CD1-CE 4.03Å; I14-M115 HydrophobicContact CD1-CG 4.03Å; I14-M115 HydrophobicContact CD1-SD 4.3Å; L29-M115 HydrophobicContact CD1-CE 3.33Å; L29-M115 HydrophobicContact CD2-CE 3.4Å; L29-M115 VanDerWaalsContact CD2-CE 3.4Å; L29-M115 HydrophobicContact CG-CE 3.95Å; F35-M115 HydrophobicContact CE1-CE 4.45Å; F35-M115 HydrophobicContact CE1-CG 3.8Å; F35-M115 HydrophobicContact CZ-CG 4.11Å; L111-M115 WeakPolarHBondContact O-CG 3.43Å; L111-M115 PolarHBondContact O-N 3.04Å; V112-M115 WeakPolarHBondContact O-CB 3.47Å; V112-M115 PolarHBondContact O-N 2.97Å; V112-M115 VanDerWaalsContact O-N 3.1Å; M115-L117 VanDerWaalsContact C-N 3.34Å; M115-L117 PolarHBondContact O-N 3.38Å; M115-L118 WeakPolarHBondContact O-CB 3.44Å; M115-L118 PolarHBondContact O-N 3.1Å; M115-V119 WeakPolarHBondContact O-CG2 3.34Å; M115-V119 PolarHBondContact O-N 2.94Å
116Q87.9Confident87.3Confident20 Ų2023.5 Ų23.59%0.09313%0.132CC..Hα-helixtrans-62.3-43177-69.2-179.8-48.700111.3L10 V112 K113 L118 V119 A120 S149 E152 L153L10-Q116 HydrophobicContact CD1-CG 4.09Å; V112-Q116 HydrophobicContact CG1-CG 4.14Å; V112-Q116 VanDerWaalsContact O-CG 3.28Å; V112-Q116 WeakPolarHBondContact O-CG 3.04Å; V112-Q116 PolarHBondContact O-N 3.24Å; K113-Q116 PolarHBondContact O-N 3.24Å; Q116-L118 VanDerWaalsContact C-N 3.31Å; Q116-L118 PolarHBondContact O-N 3.04Å; Q116-V119 PolarHBondContact O-N 2.93Å; Q116-A120 WeakPolarHBondContact O-CB 3.31Å; Q116-A120 PolarHBondContact O-N 3.35Å; Q116-S149 PolarHBondContact NE2-OG 2.65Å; Q116-E152 PolarHBondContact NE2-OE2 3.47Å; Q116-L153 HydrophobicContact CB-CD1 4.37Å
117L86.9Confident87.1Confident0 Ų024.4 Ų24.40%013%0.132CC..Hα-helixtrans-62.6-39.4174.8-174.160.4000111.7M76 L79 L80 V91 K113 F114 M115 A120 S121 L153M76-L117 HydrophobicContact CE-CD2 4.1Å; M76-L117 HydrophobicContact SD-CD2 3.83Å; L79-L117 HydrophobicContact CD2-CB 4.21Å; L79-L117 HydrophobicContact CD2-CD2 3.69Å; L79-L117 HydrophobicContact CD2-CG 3.7Å; L79-L117 HydrophobicContact CG-CD2 4.18Å; L79-L117 HydrophobicContact CG-CG 4.15Å; L80-L117 HydrophobicContact CD2-CD2 4.08Å; V91-L117 HydrophobicContact CB-CD1 4.15Å; V91-L117 HydrophobicContact CG1-CD1 4.09Å; V91-L117 HydrophobicContact CG2-CD1 3.56Å; K113-L117 WeakPolarHBondContact O-CB 3.35Å; K113-L117 PolarHBondContact O-N 3.45Å; F114-L117 PolarHBondContact O-N 3.15Å; M115-L117 VanDerWaalsContact C-N 3.34Å; M115-L117 PolarHBondContact O-N 3.38Å; L117-A120 PolarHBondContact O-N 3.09Å; L117-S121 WeakPolarHBondContact O-CB 3.5Å; L117-S121 PolarHBondContact O-N 3.12Å; L117-S121 PolarHBondContact O-OG 3.19Å; L117-L153 HydrophobicContact CD1-CD2 4.26Å
118L88.8Confident86.8Confident0 Ų023.4 Ų23.40%013%0.127CC..Hα-helixtrans-63.7-44.6175.7-176.267.2000112.2W13 F35 V38 L39 I42 L79 F114 M115 Q116 S121 A122W13-L118 HydrophobicContact CZ3-CD2 4.33Å; W13-L118 HydrophobicContact CZ3-CG 4.34Å; F35-L118 HydrophobicContact CD1-CD2 3.66Å; F35-L118 HydrophobicContact CE1-CD2 4.3Å; V38-L118 HydrophobicContact CB-CD2 4.08Å; V38-L118 HydrophobicContact CG1-CD1 4.13Å; V38-L118 HydrophobicContact CG1-CD2 3.77Å; V38-L118 HydrophobicContact CG1-CG 4.03Å; L39-L118 HydrophobicContact CD1-CD1 4.31Å; L39-L118 HydrophobicContact CD2-CD1 3.62Å; L39-L118 HydrophobicContact CG-CD1 3.61Å; I42-L118 HydrophobicContact CD1-CD1 4.26Å; L79-L118 HydrophobicContact CD1-CD1 4.28Å; F114-L118 PolarHBondContact O-N 2.73Å; M115-L118 WeakPolarHBondContact O-CB 3.44Å; M115-L118 PolarHBondContact O-N 3.1Å; Q116-L118 VanDerWaalsContact C-N 3.31Å; Q116-L118 PolarHBondContact O-N 3.04Å; L118-S121 WeakPolarHBondContact O-CB 3.33Å; L118-S121 PolarHBondContact O-N 3.32Å; L118-A122 PolarHBondContact O-N 3.47Å
119V88.5Confident86.7Confident0 Ų029.8 Ų29.80%015%0.153CC..Hα-helixtrans-60.9-47.1174.9170.20000111L10 W13 M115 Q116 S121 A122 V123 I146 I150L10-V119 HydrophobicContact CD2-CG2 3.79Å; W13-V119 HydrophobicContact CD2-CG2 3.85Å; W13-V119 HydrophobicContact CE3-CG2 3.44Å; W13-V119 VanDerWaalsContact CE3-CG2 3.44Å; W13-V119 HydrophobicContact CH2-CB 4.3Å; W13-V119 HydrophobicContact CH2-CG2 3.73Å; W13-V119 HydrophobicContact CZ2-CG2 4.09Å; W13-V119 HydrophobicContact CZ3-CB 4.38Å; W13-V119 HydrophobicContact CZ3-CG2 3.39Å; M115-V119 WeakPolarHBondContact O-CG2 3.34Å; M115-V119 PolarHBondContact O-N 2.94Å; Q116-V119 PolarHBondContact O-N 2.93Å; V119-S121 PolarHBondContact O-N 2.87Å; V119-A122 WeakPolarHBondContact O-CB 3.35Å; V119-A122 PolarHBondContact O-N 3.35Å; V119-A122 VanDerWaalsContact O-N 3.08Å; V119-V123 PolarHBondContact O-N 3.41Å; V119-I146 HydrophobicContact CG1-CB 4.32Å; V119-I146 HydrophobicContact CG1-CG1 4.14Å; V119-I146 HydrophobicContact CG1-CG2 3.6Å; V119-I150 HydrophobicContact CG1-CD1 4.4Å; V119-I150 HydrophobicContact CG1-CG1 4.48Å
120A84.3Confident86.8Confident1 Ų132.8 Ų32.81%0.00816%0.162CC..Hα-helixtrans-60.4-36.8176.900000111.8Q116 L117 H124 L153Q116-A120 WeakPolarHBondContact O-CB 3.31Å; Q116-A120 PolarHBondContact O-N 3.35Å; L117-A120 PolarHBondContact O-N 3.09Å; A120-H124 WeakPolarHBondContact O-CB 3.33Å; A120-H124 PolarHBondContact O-N 3.09Å; A120-H124 PolarHBondContact O-ND1 2.85Å; A120-L153 HydrophobicContact CB-CD1 3.65Å
121S85Confident86.5Confident0 Ų032.9 Ų32.90%016%0.163CC..Hα-helixtrans-67-36175.1-49.30000112.6L79 N83 L117 L118 V119 G125L79-S121 VanDerWaalsContact CD1-OG 3.27Å; L79-S121 WeakPolarHBondContact CD1-OG 3.4Å; N83-S121 PolarHBondContact ND2-OG 2.62Å; N83-S121 PolarHBondContact OD1-OG 3.45Å; L117-S121 WeakPolarHBondContact O-CB 3.5Å; L117-S121 PolarHBondContact O-N 3.12Å; L117-S121 PolarHBondContact O-OG 3.19Å; L118-S121 WeakPolarHBondContact O-CB 3.33Å; L118-S121 PolarHBondContact O-N 3.32Å; V119-S121 PolarHBondContact O-N 2.87Å; S121-G125 WeakPolarHBondContact O-CA 3.49Å; S121-G125 PolarHBondContact O-N 2.71Å
122A86.8Confident86.3Confident1 Ų136.7 Ų36.71%0.00818%0.182CC..Hα-helixtrans-68.3-41178.100000112W13 I42 L118 V119 M131W13-A122 HydrophobicContact CH2-CB 3.82Å; W13-A122 HydrophobicContact CZ2-CB 3.71Å; I42-A122 HydrophobicContact CD1-CB 3.5Å; I42-A122 HydrophobicContact CG1-CB 3.89Å; L118-A122 PolarHBondContact O-N 3.47Å; V119-A122 WeakPolarHBondContact O-CB 3.35Å; V119-A122 PolarHBondContact O-N 3.35Å; V119-A122 VanDerWaalsContact O-N 3.08Å; A122-M131 HydrophobicContact CB-CE 4.34Å; A122-M131 HydrophobicContact CB-CG 4.03Å; A122-M131 HydrophobicContact CB-SD 4.47Å
123V86.2Confident86.2Confident22 Ų2242.9 Ų42.913%0.13321%0.211CC..Hα-helixtrans-76.2-35.2-178.8173.70000112.5V119 G128 M131 I132 I135 I150V119-V123 PolarHBondContact O-N 3.41Å; V123-G128 WeakPolarHBondContact O-CA 3.5Å; V123-M131 HydrophobicContact CG2-CG 4.34Å; V123-I132 HydrophobicContact CG1-CD1 3.99Å; V123-I132 HydrophobicContact CG1-CG1 3.84Å; V123-I135 HydrophobicContact CG2-CD1 3.69Å; V123-I150 HydrophobicContact CB-CD1 4.01Å; V123-I150 HydrophobicContact CG1-CD1 4.03Å; V123-I150 HydrophobicContact CG2-CD1 3.81Å
124H84.4Confident86.1Confident60 Ų6041.3 Ų41.328%0.27821%0.209SC..Hα-helixtrans-88.9-3.6176.7-63.994.1000113.9C87 N89 A120C87-H124 HydrophobicContact CB-CB 3.71Å; N89-H124 PolarHBondContact ND2-CE1 3.4Å; N89-H124 PolarHBondContact ND2-ND1 3.29Å; A120-H124 WeakPolarHBondContact O-CB 3.33Å; A120-H124 PolarHBondContact O-N 3.09Å; A120-H124 PolarHBondContact O-ND1 2.85Å
125G83.4Confident85.8Confident10 Ų1042 Ų4210%0.10321%0.213CC..SBendtrans-69.4176178.500000113.4S121 K127 G128S121-G125 WeakPolarHBondContact O-CA 3.49Å; S121-G125 PolarHBondContact O-N 2.71Å; G125-K127 VanDerWaalsContact C-N 3.26Å; G125-K127 PolarHBondContact O-N 2.94Å; G125-G128 WeakPolarHBondContact O-CA 3.35Å; G125-G128 PolarHBondContact O-N 3.02Å
126P82.2Confident85.7Confident87 Ų8747.3 Ų47.357%0.56524%0.241SC*.THydrogen-bonded Turntrans-62.9-31.4-177.624.1-30.8000112.9D43 Y82 G128D43-P126 HydrophobicContact CB-CG 4.42Å; D43-P126 WeakPolarHBondContact OD2-CG 3.27Å; Y82-P126 WeakPolarHBondContact OH-CD 3.48Å; P126-G128 VanDerWaalsContact C-N 3.28Å
127K82.9Confident85.6Confident99 Ų9951.3 Ų51.343%0.4327%0.267SS..THydrogen-bonded Turntrans-90.420.6171.4-64.8-174.1176.2-174.40113.4G125 K129 E130 M131G125-K127 VanDerWaalsContact C-N 3.26Å; G125-K127 PolarHBondContact O-N 2.94Å; K127-K129 VanDerWaalsContact C-N 3.25Å; K127-K129 PolarHBondContact O-N 3.03Å; K127-E130 PolarHBondContact O-N 2.88Å; K127-E130 VanDerWaalsContact O-N 3.11Å; K127-M131 PolarHBondContact O-N 3.45Å
128G83.3Confident85.7Confident6 Ų652.8 Ų52.86%0.06227%0.274CS..Hα-helixtrans-54.9-38.1-174.900000113.8V123 G125 P126 M131 I132V123-G128 WeakPolarHBondContact O-CA 3.5Å; G125-G128 WeakPolarHBondContact O-CA 3.35Å; G125-G128 PolarHBondContact O-N 3.02Å; P126-G128 VanDerWaalsContact C-N 3.28Å; G128-M131 PolarHBondContact O-N 3.36Å; G128-I132 WeakPolarHBondContact O-CD1 3.31Å; G128-I132 WeakPolarHBondContact O-CG1 3.44Å; G128-I132 PolarHBondContact O-N 2.69Å
129K85.7Confident85.6Confident173 Ų17358 Ų5875%0.75230%0.299SS*.Hα-helixtrans-63.8-47.4176.5-67-174.7-179.3179.60112.7K127 M131 I132 E133K127-K129 VanDerWaalsContact C-N 3.25Å; K127-K129 PolarHBondContact O-N 3.03Å; K129-M131 VanDerWaalsContact C-N 3.27Å; K129-M131 PolarHBondContact O-N 3.19Å; K129-I132 PolarHBondContact O-N 2.82Å; K129-E133 PolarHBondContact O-N 3.45Å
130E87.5Confident85.4Confident121 Ų12165 Ų6557%0.56533%0.332SS*.Hα-helixtrans-62.2-38.5176.3-63.5172.7-162.400110.8K127 E133 A134K127-E130 PolarHBondContact O-N 2.88Å; K127-E130 VanDerWaalsContact O-N 3.11Å; E130-E133 PolarHBondContact O-N 3.4Å; E130-A134 WeakPolarHBondContact O-CB 3.37Å; E130-A134 PolarHBondContact O-N 3.26Å
131M85.4Confident85.5Confident25 Ų2566.7 Ų66.712%0.12334%0.343CS..Hα-helixtrans-66.2-41.2176.5-174.557.861.900112W13 V17 A122 V123 K127 G128 K129 A134 I135W13-M131 HydrophobicContact CZ2-SD 4.07Å; V17-M131 HydrophobicContact CG1-CE 4.45Å; V17-M131 HydrophobicContact CG2-CE 4.21Å; V17-M131 HydrophobicContact CG2-SD 4.24Å; A122-M131 HydrophobicContact CB-CE 4.34Å; A122-M131 HydrophobicContact CB-CG 4.03Å; A122-M131 HydrophobicContact CB-SD 4.47Å; V123-M131 HydrophobicContact CG2-CG 4.34Å; K127-M131 PolarHBondContact O-N 3.45Å; G128-M131 PolarHBondContact O-N 3.36Å; K129-M131 VanDerWaalsContact C-N 3.27Å; K129-M131 PolarHBondContact O-N 3.19Å; M131-A134 PolarHBondContact O-N 2.95Å; M131-I135 HydrophobicContact CG-CD1 3.92Å; M131-I135 WeakPolarHBondContact O-CD1 3.37Å; M131-I135 WeakPolarHBondContact O-CG1 3.45Å; M131-I135 PolarHBondContact O-N 3.12Å; M131-I135 HydrophobicContact SD-CD1 4.39Å; M131-I135 HydrophobicContact SD-CG1 4.44Å
132I85.1Confident85.5Confident79 Ų7967 Ų6741%0.40535%0.345SS..Hα-helixtrans-62.6-45.5175.4-68.3161.7000110.3V123 G128 K129 A134 I135 L136V123-I132 HydrophobicContact CG1-CD1 3.99Å; V123-I132 HydrophobicContact CG1-CG1 3.84Å; G128-I132 WeakPolarHBondContact O-CD1 3.31Å; G128-I132 WeakPolarHBondContact O-CG1 3.44Å; G128-I132 PolarHBondContact O-N 2.69Å; K129-I132 PolarHBondContact O-N 2.82Å; I132-A134 VanDerWaalsContact C-N 3.31Å; I132-A134 PolarHBondContact O-N 3.09Å; I132-I135 PolarHBondContact O-N 3.27Å; I132-L136 HydrophobicContact CG2-CD1 4.44Å; I132-L136 WeakPolarHBondContact O-CG 3.37Å; I132-L136 PolarHBondContact O-N 2.91Å; I132-L136 VanDerWaalsContact O-N 3.08Å
133E86.3Confident85.4Confident134 Ų13469.1 Ų69.163%0.62636%0.355SS*.Hα-helixtrans-59.7-42.3174.9-73.5177.8-172.600111.6K129 E130 L136K129-E133 PolarHBondContact O-N 3.45Å; E130-E133 PolarHBondContact O-N 3.4Å; E133-L136 PolarHBondContact O-N 3.34Å
134A86.1Confident85.4Confident29 Ų2973.4 Ų73.424%0.2437%0.373CS..Hα-helixtrans-64.8-40.1176.600000112.2F16 E130 M131 I132 L136 T137F16-A134 HydrophobicContact CE1-CB 3.89Å; F16-A134 HydrophobicContact CZ-CB 4.15Å; E130-A134 WeakPolarHBondContact O-CB 3.37Å; E130-A134 PolarHBondContact O-N 3.26Å; M131-A134 PolarHBondContact O-N 2.95Å; I132-A134 VanDerWaalsContact C-N 3.31Å; I132-A134 PolarHBondContact O-N 3.09Å; A134-L136 VanDerWaalsContact C-N 3.3Å; A134-L136 PolarHBondContact O-N 3.13Å; A134-T137 PolarHBondContact O-N 3Å; A134-T137 VanDerWaalsContact O-N 3.15Å; A134-T137 PolarHBondContact O-OG1 2.95Å
135I85.3Confident85.5Confident13 Ų1370.6 Ų70.67%0.06736%0.36CS..Hα-helixtrans-62.5-37.4176.6-70.7159.5000111.2V123 M131 I132 T137 L138 Q143 I146V123-I135 HydrophobicContact CG2-CD1 3.69Å; M131-I135 HydrophobicContact CG-CD1 3.92Å; M131-I135 WeakPolarHBondContact O-CD1 3.37Å; M131-I135 WeakPolarHBondContact O-CG1 3.45Å; M131-I135 PolarHBondContact O-N 3.12Å; M131-I135 HydrophobicContact SD-CD1 4.39Å; M131-I135 HydrophobicContact SD-CG1 4.44Å; I132-I135 PolarHBondContact O-N 3.27Å; I135-T137 PolarHBondContact O-N 3.48Å; I135-L138 WeakPolarHBondContact O-CB 3.38Å; I135-L138 PolarHBondContact O-N 3.22Å; I135-L138 VanDerWaalsContact O-N 3.11Å; I135-Q143 HydrophobicContact CG2-CG 4.39Å; I135-Q143 WeakPolarHBondContact O-CG 3.3Å; I135-I146 HydrophobicContact CD1-CD1 4.32Å; I135-I146 HydrophobicContact CD1-CG2 4.14Å; I135-I146 HydrophobicContact CG1-CD1 4.05Å; I135-I146 HydrophobicContact CG2-CD1 3.9Å; I135-I146 HydrophobicContact CG2-CG2 4.41Å
136L87.1Confident85.5Confident113 Ų11370.5 Ų70.559%0.59236%0.357SS*.Hα-helixtrans-66.5-16.3178-69.2171.9000113.7I132 E133 A134 L138 Q143I132-L136 HydrophobicContact CG2-CD1 4.44Å; I132-L136 WeakPolarHBondContact O-CG 3.37Å; I132-L136 PolarHBondContact O-N 2.91Å; I132-L136 VanDerWaalsContact O-N 3.08Å; E133-L136 PolarHBondContact O-N 3.34Å; A134-L136 VanDerWaalsContact C-N 3.3Å; A134-L136 PolarHBondContact O-N 3.13Å; L136-L138 VanDerWaalsContact C-N 3.35Å; L136-Q143 PolarHBondContact O-NE2 3.45Å
137T87.2Confident85.6Confident105 Ų10571.5 Ų71.564%0.64436%0.356SS*.THydrogen-bonded Turntrans-84.1-9.2174.668.60000113.8A134 I135A134-T137 PolarHBondContact O-N 3Å; A134-T137 VanDerWaalsContact O-N 3.15Å; A134-T137 PolarHBondContact O-OG1 2.95Å; I135-T137 PolarHBondContact O-N 3.48Å
138L87.8Confident85.6Confident30 Ų3071.2 Ų71.216%0.15736%0.358CS..SBendtrans-86.4170.2-177.4-66.5173000112.8F16 I135 L136 I142 Q143F16-L138 HydrophobicContact CB-CD2 4.15Å; F16-L138 HydrophobicContact CD1-CD1 3.84Å; F16-L138 HydrophobicContact CD1-CD2 4.03Å; F16-L138 HydrophobicContact CD1-CG 4.27Å; F16-L138 HydrophobicContact CD2-CD2 3.58Å; F16-L138 HydrophobicContact CE1-CD1 4.11Å; F16-L138 HydrophobicContact CE1-CD2 4.27Å; F16-L138 HydrophobicContact CE1-CG 4.26Å; F16-L138 HydrophobicContact CE2-CD2 3.85Å; F16-L138 HydrophobicContact CG-CD1 4.23Å; F16-L138 HydrophobicContact CG-CD2 3.66Å; F16-L138 HydrophobicContact CG-CG 4.4Å; F16-L138 HydrophobicContact CZ-CD2 4.17Å; F16-L138 HydrophobicContact CZ-CG 4.38Å; I135-L138 WeakPolarHBondContact O-CB 3.38Å; I135-L138 PolarHBondContact O-N 3.22Å; I135-L138 VanDerWaalsContact O-N 3.11Å; L136-L138 VanDerWaalsContact C-N 3.35Å; L138-I142 HydrophobicContact CB-CB 4.45Å; L138-I142 HydrophobicContact CB-CD1 4.4Å; L138-I142 HydrophobicContact CD1-CG2 4.11Å; L138-Q143 PolarHBondContact O-NE2 2.79Å
139E87.8Confident85.4Confident110 Ų11071.1 Ų71.151%0.51436%0.356SS..  trans-55.2138.5174.8-161179.3-179.800111.9K12 S141 I142 Q143K12-E139 IonicContact NZ-OE2 3.33Å; K12-E139 PolarHBondContact NZ-OE2 3.31Å; E139-S141 PolarHBondContact O-N 2.91Å; E139-S141 VanDerWaalsContact O-N 3.12Å; E139-I142 HydrophobicContact CB-CD1 3.92Å; E139-I142 HydrophobicContact CB-CG1 4.18Å; E139-I142 WeakPolarHBondContact O-CB 3.34Å; E139-I142 PolarHBondContact O-N 2.84Å; E139-Q143 PolarHBondContact O-N 3.23Å; E139-Q143 VanDerWaalsContact O-N 3.17Å
140E83.1Confident85Confident148 Ų14864 Ų6469%0.69233%0.326SS*.Hα-helixtrans-55.2-34.2-175.8-75.7-173.416700113.6I142 Q143 Q144E140-I142 VanDerWaalsContact C-N 3.3Å; E140-I142 PolarHBondContact O-N 3.46Å; E140-Q143 PolarHBondContact O-N 3.08Å; E140-Q144 WeakPolarHBondContact O-CG 3.46Å; E140-Q144 PolarHBondContact O-N 3.25Å
141S86.2Confident84.6Confident36 Ų3663.7 Ų63.725%0.25232%0.323SS..Hα-helixtrans-60.5-39176.355.60000112.3E139 T145E139-S141 PolarHBondContact O-N 2.91Å; E139-S141 VanDerWaalsContact O-N 3.12Å; S141-T145 WeakPolarHBondContact O-CB 3.44Å; S141-T145 PolarHBondContact O-N 3.24Å; S141-T145 VanDerWaalsContact O-N 3.13Å; S141-T145 PolarHBondContact O-OG1 3.11Å
142I86.2Confident84Confident6 Ų667.9 Ų67.93%0.03134%0.342CS..Hα-helixtrans-71.4-43.3177.4-55.8170.6000109.5K12 W13 L138 E139 E140 Q144 T145 I146K12-I142 HydrophobicContact CB-CD1 3.81Å; K12-I142 HydrophobicContact CB-CG1 4.49Å; K12-I142 HydrophobicContact CD-CD1 3.84Å; K12-I142 HydrophobicContact CD-CG1 4.32Å; W13-I142 HydrophobicContact CB-CG2 4.16Å; L138-I142 HydrophobicContact CB-CB 4.45Å; L138-I142 HydrophobicContact CB-CD1 4.4Å; L138-I142 HydrophobicContact CD1-CG2 4.11Å; E139-I142 HydrophobicContact CB-CD1 3.92Å; E139-I142 HydrophobicContact CB-CG1 4.18Å; E139-I142 WeakPolarHBondContact O-CB 3.34Å; E139-I142 PolarHBondContact O-N 2.84Å; E140-I142 VanDerWaalsContact C-N 3.3Å; E140-I142 PolarHBondContact O-N 3.46Å; I142-Q144 PolarHBondContact O-N 3.19Å; I142-T145 PolarHBondContact O-N 3.31Å; I142-I146 HydrophobicContact CG2-CD1 3.77Å; I142-I146 HydrophobicContact CG2-CG1 4.4Å; I142-I146 WeakPolarHBondContact O-CG1 3.45Å; I142-I146 PolarHBondContact O-N 3.41Å
143Q84.7Confident83.3Confident46 Ų4664.5 Ų64.522%0.21533%0.325CS..Hα-helixtrans-58.8-45.8177.7-60.7-173.820.600111.9I135 L136 L138 E139 E140 I146 M147I135-Q143 HydrophobicContact CG2-CG 4.39Å; I135-Q143 WeakPolarHBondContact O-CG 3.3Å; L136-Q143 PolarHBondContact O-NE2 3.45Å; L138-Q143 PolarHBondContact O-NE2 2.79Å; E139-Q143 PolarHBondContact O-N 3.23Å; E139-Q143 VanDerWaalsContact O-N 3.17Å; E140-Q143 PolarHBondContact O-N 3.08Å; Q143-I146 PolarHBondContact O-N 2.98Å; Q143-M147 WeakPolarHBondContact O-CB 3.47Å; Q143-M147 PolarHBondContact O-N 3.13Å
144Q85Confident82.6Confident111 Ų11162.9 Ų62.952%0.51932%0.318SS..Hα-helixtrans-63.6-43.8177.3-72.2178.73.400112.1E140 I142 I146 M147 L148E140-Q144 WeakPolarHBondContact O-CG 3.46Å; E140-Q144 PolarHBondContact O-N 3.25Å; I142-Q144 PolarHBondContact O-N 3.19Å; Q144-I146 VanDerWaalsContact C-N 3.35Å; Q144-I146 PolarHBondContact O-N 2.67Å; Q144-M147 PolarHBondContact O-N 3.31Å; Q144-L148 WeakPolarHBondContact O-CG 3.43Å; Q144-L148 PolarHBondContact O-N 3Å
145T86.7Confident81.6Confident2 Ų266.7 Ų66.71%0.01234%0.338CS..Hα-helixtrans-61.8-43.2178.9-56.10000111.5V6 C9 L10 S141 I142 S149V6-T145 HydrophobicContact CB-CG2 4.35Å; V6-T145 HydrophobicContact CG1-CG2 3.87Å; V6-T145 HydrophobicContact CG2-CG2 4.45Å; C9-T145 HydrophobicContact CB-CG2 3.95Å; L10-T145 HydrophobicContact CG-CG2 4.48Å; S141-T145 WeakPolarHBondContact O-CB 3.44Å; S141-T145 PolarHBondContact O-N 3.24Å; S141-T145 VanDerWaalsContact O-N 3.13Å; S141-T145 PolarHBondContact O-OG1 3.11Å; I142-T145 PolarHBondContact O-N 3.31Å; T145-S149 WeakPolarHBondContact O-CB 3.36Å; T145-S149 PolarHBondContact O-N 3.34Å; T145-S149 PolarHBondContact O-OG 3.33Å
146I84Confident80.2Confident7 Ų768.7 Ų68.74%0.03635%0.353CS..Hα-helixtrans-64.5-45.4177.2-71.3170.8000111W13 V119 I135 I142 Q143 Q144 L148 S149 I150W13-I146 HydrophobicContact CB-CD1 4.29Å; W13-I146 VanDerWaalsContact CD1-CD1 3.43Å; W13-I146 HydrophobicContact CG-CD1 3.86Å; V119-I146 HydrophobicContact CG1-CB 4.32Å; V119-I146 HydrophobicContact CG1-CG1 4.14Å; V119-I146 HydrophobicContact CG1-CG2 3.6Å; I135-I146 HydrophobicContact CD1-CD1 4.32Å; I135-I146 HydrophobicContact CD1-CG2 4.14Å; I135-I146 HydrophobicContact CG1-CD1 4.05Å; I135-I146 HydrophobicContact CG2-CD1 3.9Å; I135-I146 HydrophobicContact CG2-CG2 4.41Å; I142-I146 HydrophobicContact CG2-CD1 3.77Å; I142-I146 HydrophobicContact CG2-CG1 4.4Å; I142-I146 WeakPolarHBondContact O-CG1 3.45Å; I142-I146 PolarHBondContact O-N 3.41Å; Q143-I146 PolarHBondContact O-N 2.98Å; Q144-I146 VanDerWaalsContact C-N 3.35Å; Q144-I146 PolarHBondContact O-N 2.67Å; I146-L148 PolarHBondContact O-N 3.28Å; I146-S149 PolarHBondContact O-N 3.21Å; I146-I150 HydrophobicContact CG2-CD1 3.96Å; I146-I150 WeakPolarHBondContact O-CG1 3.47Å; I146-I150 PolarHBondContact O-N 3.47Å
147M84.5Confident78.6Confident108 Ų10867.4 Ų67.453%0.53234%0.343SS..Hα-helixtrans-63-41.8-179.9-170.4-172-56.100112.5Q143 Q144 K151Q143-M147 WeakPolarHBondContact O-CB 3.47Å; Q143-M147 PolarHBondContact O-N 3.13Å; Q144-M147 PolarHBondContact O-N 3.31Å; M147-K151 WeakPolarHBondContact O-CG 3.47Å; M147-K151 PolarHBondContact O-N 3.45Å; M147-K151 VanDerWaalsContact O-N 3.1Å
148L83Confident76.4Confident94 Ų9465.5 Ų65.549%0.49234%0.344SS..Hα-helixtrans-65.5-42.2175.6-71.9173.3000111.4Q144 I146 I150 K151 E152Q144-L148 WeakPolarHBondContact O-CG 3.43Å; Q144-L148 PolarHBondContact O-N 3Å; I146-L148 PolarHBondContact O-N 3.28Å; L148-I150 VanDerWaalsContact C-N 3.3Å; L148-I150 PolarHBondContact O-N 3.06Å; L148-K151 PolarHBondContact O-N 3.23Å; L148-E152 WeakPolarHBondContact O-CG 3.33Å; L148-E152 PolarHBondContact O-N 3.35Å
149S79.3Confident73.8Confident3 Ų373.3 Ų73.32%0.02138%0.377CS..Hα-helixtrans-60.5-38178.7-61.70000112.7Q116 T145 I146 L153Q116-S149 PolarHBondContact NE2-OG 2.65Å; T145-S149 WeakPolarHBondContact O-CB 3.36Å; T145-S149 PolarHBondContact O-N 3.34Å; T145-S149 PolarHBondContact O-OG 3.33Å; I146-S149 PolarHBondContact O-N 3.21Å; S149-L153 PolarHBondContact O-N 2.84Å
150I76.6Confident70.9Confident23 Ų2374.6 Ų74.612%0.11840%0.396CS..Hα-helixtrans-72.6-42.7176.3-65.1169.2000111V119 V123 I146 L148 E152 L153 E154V119-I150 HydrophobicContact CG1-CD1 4.4Å; V119-I150 HydrophobicContact CG1-CG1 4.48Å; V123-I150 HydrophobicContact CB-CD1 4.01Å; V123-I150 HydrophobicContact CG1-CD1 4.03Å; V123-I150 HydrophobicContact CG2-CD1 3.81Å; I146-I150 HydrophobicContact CG2-CD1 3.96Å; I146-I150 WeakPolarHBondContact O-CG1 3.47Å; I146-I150 PolarHBondContact O-N 3.47Å; L148-I150 VanDerWaalsContact C-N 3.3Å; L148-I150 PolarHBondContact O-N 3.06Å; I150-E152 PolarHBondContact O-N 3.41Å; I150-L153 WeakPolarHBondContact O-CB 3.5Å; I150-L153 PolarHBondContact O-N 3.41Å; I150-E154 WeakPolarHBondContact O-CG 3.44Å; I150-E154 PolarHBondContact O-N 3.04Å
151K79.2Confident68.2Low116 Ų11676.3 Ų76.350%0.50440%0.404SS..Hα-helixtrans-63-38.2177.3-79.4-178.7175.7175.40113.2M147 L148 L153 E154 T155M147-K151 WeakPolarHBondContact O-CG 3.47Å; M147-K151 PolarHBondContact O-N 3.45Å; M147-K151 VanDerWaalsContact O-N 3.1Å; L148-K151 PolarHBondContact O-N 3.23Å; K151-L153 VanDerWaalsContact C-N 3.29Å; K151-L153 PolarHBondContact O-N 3Å; K151-E154 PolarHBondContact O-N 3.43Å; K151-T155 WeakPolarHBondContact O-CB 3.32Å; K151-T155 WeakPolarHBondContact O-CG2 3.29Å; K151-T155 PolarHBondContact O-N 3.05Å; K151-T155 PolarHBondContact O-OG1 3.21Å
152E74Confident65.4Low112 Ų11280.3 Ų80.352%0.52343%0.429SS..Hα-helixtrans-61.8-38.8174.8-77-179.6169.100111.5Q116 L148 I150 T155 S156Q116-E152 PolarHBondContact NE2-OE2 3.47Å; L148-E152 WeakPolarHBondContact O-CG 3.33Å; L148-E152 PolarHBondContact O-N 3.35Å; I150-E152 PolarHBondContact O-N 3.41Å; E152-T155 PolarHBondContact O-OG1 3.24Å; E152-T155 VanDerWaalsContact O-OG1 3.12Å; E152-S156 PolarHBondContact O-N 3.36Å
153L69.3Low62.8Low9 Ų988 Ų885%0.04747%0.469CS..Hα-helixtrans-68.8-35.1175.4-93.3153.1000113.6V91 I95 Q116 L117 A120 S149 I150 K151 S156V91-L153 HydrophobicContact CG1-CD2 3.97Å; V91-L153 HydrophobicContact CG2-CD2 4.18Å; I95-L153 HydrophobicContact CB-CD2 4.24Å; I95-L153 HydrophobicContact CD1-CD2 3.83Å; I95-L153 HydrophobicContact CD1-CG 4.14Å; I95-L153 HydrophobicContact CG2-CD2 3.5Å; I95-L153 HydrophobicContact CG2-CG 4.01Å; Q116-L153 HydrophobicContact CB-CD1 4.37Å; L117-L153 HydrophobicContact CD1-CD2 4.26Å; A120-L153 HydrophobicContact CB-CD1 3.65Å; S149-L153 PolarHBondContact O-N 2.84Å; I150-L153 WeakPolarHBondContact O-CB 3.5Å; I150-L153 PolarHBondContact O-N 3.41Å; K151-L153 VanDerWaalsContact C-N 3.29Å; K151-L153 PolarHBondContact O-N 3Å; L153-S156 PolarHBondContact O-OG 3.37Å
154E71.2Confident60.2Low99 Ų9991.5 Ų91.546%0.46349%0.493SS..Hα-helixtrans-75.7-41178.2-71176.1167.200112.3I150 K151 S156 K157I150-E154 WeakPolarHBondContact O-CG 3.44Å; I150-E154 PolarHBondContact O-N 3.04Å; K151-E154 PolarHBondContact O-N 3.43Å; E154-S156 VanDerWaalsContact C-N 3.26Å; E154-S156 PolarHBondContact O-N 3.25Å; E154-K157 PolarHBondContact O-N 3.17Å
155T64.9Low57.6Low110 Ų11091.4 Ų91.468%0.67550%0.502SS*.Hα-helixtrans-66.1-25.3-17947.30000113.4K151 E152 K157K151-T155 WeakPolarHBondContact O-CB 3.32Å; K151-T155 WeakPolarHBondContact O-CG2 3.29Å; K151-T155 PolarHBondContact O-N 3.05Å; K151-T155 PolarHBondContact O-OG1 3.21Å; E152-T155 PolarHBondContact O-OG1 3.24Å; E152-T155 VanDerWaalsContact O-OG1 3.12Å; T155-K157 PolarHBondContact O-N 2.86Å
156S56.5Low54.7Low54 Ų5499 Ų9938%0.37854%0.543SS..THydrogen-bonded Turntrans-72.9-10.8177.166.60000114.9I95 E152 L153 E154I95-S156 WeakPolarHBondContact CD1-OG 3.35Å; E152-S156 PolarHBondContact O-N 3.36Å; L153-S156 PolarHBondContact O-OG 3.37Å; E154-S156 VanDerWaalsContact C-N 3.26Å; E154-S156 PolarHBondContact O-N 3.25Å
157K52.5Low52.4Low87 Ų87106.9 Ų106.938%0.37858%0.579SS.*THydrogen-bonded Turntrans-79.5-21.1-176.1-77.1-174.2164.5-165.40114.8N89 P90 E154 T155 K159N89-K157 WeakPolarHBondContact OD1-CE 3.34Å; N89-K157 PolarHBondContact OD1-NZ 2.85Å; P90-K157 WeakPolarHBondContact O-CE 3.17Å; P90-K157 PolarHBondContact O-NZ 3.48Å; P90-K157 VanDerWaalsContact O-NZ 3.08Å; E154-K157 PolarHBondContact O-N 3.17Å; T155-K157 PolarHBondContact O-N 2.86Å; K157-K159 PolarHBondContact O-N 2.97Å; K157-K159 VanDerWaalsContact O-N 3.15Å
158G42.4Very low49.7Very low64 Ų64111.2 Ų111.266%0.6660%0.598SS**  trans-86.380.2-17500000112.8
159K33.2Very low47.5Very low195 Ų195113 Ų11385%0.84861%0.613SS**  trans-173.590.1160.9-106164.6-169.6-174.60111.1K157K157-K159 PolarHBondContact O-N 2.97Å; K157-K159 VanDerWaalsContact O-N 3.15Å
160C25.8Very low45.3Very low137 Ų137115.3 Ų115.393%0.92664%0.637SS**  trans-164.188.2152.3-97.90000107.3
161E27Very low43.6Very low184 Ų184119.8 Ų119.886%0.8667%0.668SS**  trans-80.2142173.7-76.4174.8150.300110.8
162P27.4Very low41.7Very low120 Ų120119 Ų11978%0.77968%0.683SS**  trans-84.7121.8177.832-30.5000111.2
163I32.5Very low40.2Very low168 Ų168118.8 Ų118.886%0.86269%0.689SS**  trans-84.7114.8173.1-62.6170.8000108.3
164T29.3Very low39.1Very low119 Ų119119.9 Ų119.973%0.7370%0.7SS**  trans-72.6146.6175.844.70000112.1
165P30.3Very low38Very low109 Ų109119.1 Ų119.171%0.70871%0.705SS**  trans-90127.8175.733.6-26.3000109.7
166D26.8Very low37.1Very low162 Ų162124.8 Ų124.887%0.86671%0.714SS**  trans-167.8152.2161.4-106.4-26.1000113.8
167E33.9Very low36.7Very low171 Ų171128.5 Ų128.580%0.79972%0.724SS**  trans89.985.3163.4-62.2-171.3178.700119.7
168E28.4Very low36.5Very low199 Ų199131.9 Ų131.993%0.9373%0.734SS**  trans-50.8124.5146.2-60-177.1148.300112.1
169V36.5Very low37.2Very low132 Ų132135.5 Ų135.580%0.873%0.734SS**  trans-127.6104.6167.6-178.30000111
170G33.3Very low38.4Very low51 Ų51132.5 Ų132.553%0.52672%0.723SS.*  trans40.7104.3138.300000120.3A172G170-A172 PolarHBondContact O-N 2.96Å
171P41.2Very low39.6Very low118 Ų118133.9 Ų133.977%0.76671%0.71SS**THydrogen-bonded Turntrans-77.5-4-173.4-16.130.1000118.6
172A40.2Very low40.8Very low99 Ų99129.4 Ų129.482%0.81869%0.689SS**THydrogen-bonded Turntrans-90.1-24.1-167.600000115G170G170-A172 PolarHBondContact O-N 2.96Å
173T42.6Very low42.4Very low107 Ų107132.5 Ų132.566%0.65669%0.685SS**SBendtrans-92.6-13.7175.7-33.30000111.9S175 F177T173-S175 PolarHBondContact O-N 3.13Å; T173-F177 HydrophobicContact CG2-CE2 4.49Å
174A45.2Very low43.9Very low32 Ų32129 Ų12926%0.26467%0.672SS.*Hα-helixtrans-66.3-30.7-176.400000113.6R176 R178A174-R176 VanDerWaalsContact C-N 3.34Å; A174-R176 PolarHBondContact O-N 2.93Å; A174-R178 WeakPolarHBondContact O-CA 3.28Å; A174-R178 WeakPolarHBondContact O-CB 3.26Å; A174-R178 PolarHBondContact O-N 2.86Å
175S48.1Very low45.5Very low83 Ų83129.8 Ų129.858%0.5867%0.665SS**Hα-helixtrans-70-26-174.8-74.70000114.5T173T173-S175 PolarHBondContact O-N 3.13Å
176R46.6Very low47.2Very low229 Ų229130 Ų13086%0.86466%0.655SS**Hα-helixtrans-83.7-36178.4-149.4175.7-151.6162.45.9112.6A174A174-R176 VanDerWaalsContact C-N 3.34Å; A174-R176 PolarHBondContact O-N 2.93Å
177F47.7Very low49.4Very low133 Ų133129 Ų12958%0.58364%0.643SS**Hα-helixtrans-77.4-33.7172.9-75.2-71.9000112.5T173 Q179 Q180 Y181T173-F177 HydrophobicContact CG2-CE2 4.49Å; F177-Q179 PolarHBondContact O-N 3.22Å; F177-Q180 PolarHBondContact O-N 3.28Å; F177-Q180 VanDerWaalsContact O-N 3.15Å; F177-Y181 HydrophobicContact CB-CD2 4.2Å; F177-Y181 HydrophobicContact CB-CE2 4.44Å; F177-Y181 WeakPolarHBondContact O-CB 3.25Å; F177-Y181 WeakPolarHBondContact O-CD2 3.38Å; F177-Y181 PolarHBondContact O-N 2.95Å
178R48.9Very low51Low157 Ų157123.7 Ų123.759%0.59263%0.625SS**Hα-helixtrans-58.6-41.1-179.9-174.6179.2-64.4-160.6-0.5112.7A174 E182A174-R178 WeakPolarHBondContact O-CA 3.28Å; A174-R178 WeakPolarHBondContact O-CB 3.26Å; A174-R178 PolarHBondContact O-N 2.86Å; R178-E182 WeakPolarHBondContact O-CB 3.46Å; R178-E182 PolarHBondContact O-N 3.07Å
179Q55.4Low53.2Low140 Ų140119.4 Ų119.465%0.65461%0.605SS**Hα-helixtrans-71.4-30.6178.2-72.8-173.81000113.8F177F177-Q179 PolarHBondContact O-N 3.22Å
180Q58.8Low55.2Low133 Ų133120.8 Ų120.862%0.62160%0.6SS**Hα-helixtrans-72.8-47174.6-171.210513.200110.4F177 E182 R183 V184F177-Q180 PolarHBondContact O-N 3.28Å; F177-Q180 VanDerWaalsContact O-N 3.15Å; Q180-E182 PolarHBondContact O-N 3.14Å; Q180-R183 PolarHBondContact O-N 3.44Å; Q180-V184 PolarHBondContact O-N 2.99Å
181Y51.9Low57.3Low166 Ų166123.8 Ų123.865%0.65160%0.6SS**Hα-helixtrans-61.6-42177-90.8-78.9000112F177 R183 V184 F185F177-Y181 HydrophobicContact CB-CD2 4.2Å; F177-Y181 HydrophobicContact CB-CE2 4.44Å; F177-Y181 WeakPolarHBondContact O-CB 3.25Å; F177-Y181 WeakPolarHBondContact O-CD2 3.38Å; F177-Y181 PolarHBondContact O-N 2.95Å; Y181-R183 VanDerWaalsContact C-N 3.26Å; Y181-R183 PolarHBondContact O-N 3.48Å; Y181-V184 PolarHBondContact O-N 3.4Å; Y181-F185 WeakPolarHBondContact O-CB 3.33Å; Y181-F185 PolarHBondContact O-N 3Å
182E52.7Low59.1Low89 Ų89121.6 Ų121.642%0.41658%0.584SS.*Hα-helixtrans-67.6-26.8-178-165.5162.2172.100113R178 Q180 K186R178-E182 WeakPolarHBondContact O-CB 3.46Å; R178-E182 PolarHBondContact O-N 3.07Å; Q180-E182 PolarHBondContact O-N 3.14Å; E182-K186 HydrophobicContact CG-CD 4.2Å; E182-K186 VanDerWaalsContact O-CB 3.27Å; E182-K186 WeakPolarHBondContact O-CB 3.46Å; E182-K186 VanDerWaalsContact O-CG 3.24Å; E182-K186 WeakPolarHBondContact O-CG 3.47Å; E182-K186 PolarHBondContact O-N 3.11Å; E182-K186 WeakPolarHBondContact OE1-CE 3.32Å; E182-K186 IonicContact OE1-NZ 3.36Å; E182-K186 PolarHBondContact OE1-NZ 3.32Å
183R60.4Low60.8Low186 Ų186122.4 Ų122.470%0.70257%0.573SS**Hα-helixtrans-76.5-43.3175.3-150-175.8-59.4163.82112.1Q180 Y181 F187Q180-R183 PolarHBondContact O-N 3.44Å; Y181-R183 VanDerWaalsContact C-N 3.26Å; Y181-R183 PolarHBondContact O-N 3.48Å; R183-F187 WeakPolarHBondContact O-CB 3.24Å; R183-F187 PolarHBondContact O-N 2.95Å; R183-F187 VanDerWaalsContact O-N 3.13Å
184V62.9Low62.7Low95 Ų95124.4 Ų124.458%0.57657%0.573SS**Hα-helixtrans-68.6-39.9176.6178.50000110.8Q180 Y181 F187 S188Q180-V184 PolarHBondContact O-N 2.99Å; Y181-V184 PolarHBondContact O-N 3.4Å; V184-F187 PolarHBondContact O-N 3.11Å; V184-S188 WeakPolarHBondContact O-CB 3.34Å; V184-S188 PolarHBondContact O-N 3.35Å
185F64.2Low64.4Low134 Ų134128.9 Ų128.959%0.58859%0.588SS**Hα-helixtrans-67.6-44.8177.9-170.4-95000112.2Y181 F187 S188 Q189Y181-F185 WeakPolarHBondContact O-CB 3.33Å; Y181-F185 PolarHBondContact O-N 3Å; F185-F187 VanDerWaalsContact C-N 3.31Å; F185-F187 PolarHBondContact O-N 2.58Å; F185-S188 PolarHBondContact O-N 2.82Å; F185-Q189 WeakPolarHBondContact O-CB 3.45Å; F185-Q189 PolarHBondContact O-N 3.01Å
186K66.5Low66Low114 Ų114130.4 Ų130.450%0.49659%0.586SS.*Hα-helixtrans-64.6-34.3175.1-76.5177.3-176.1167.10112.3E182 K190E182-K186 HydrophobicContact CG-CD 4.2Å; E182-K186 VanDerWaalsContact O-CB 3.27Å; E182-K186 WeakPolarHBondContact O-CB 3.46Å; E182-K186 VanDerWaalsContact O-CG 3.24Å; E182-K186 WeakPolarHBondContact O-CG 3.47Å; E182-K186 PolarHBondContact O-N 3.11Å; E182-K186 WeakPolarHBondContact OE1-CE 3.32Å; E182-K186 IonicContact OE1-NZ 3.36Å; E182-K186 PolarHBondContact OE1-NZ 3.32Å; K186-K190 VanDerWaalsContact O-CB 3.24Å; K186-K190 WeakPolarHBondContact O-CB 3.19Å; K186-K190 PolarHBondContact O-N 2.91Å
187F71.6Confident67.8Low141 Ų141124.5 Ų124.562%0.61857%0.571SS**Hα-helixtrans-69.7-47.7175.4-169.6-91.8000111.7R183 V184 F185 K190 Q191R183-F187 WeakPolarHBondContact O-CB 3.24Å; R183-F187 PolarHBondContact O-N 2.95Å; R183-F187 VanDerWaalsContact O-N 3.13Å; V184-F187 PolarHBondContact O-N 3.11Å; F185-F187 VanDerWaalsContact C-N 3.31Å; F185-F187 PolarHBondContact O-N 2.58Å; F187-K190 PolarHBondContact O-N 2.98Å; F187-Q191 WeakPolarHBondContact O-CB 3.44Å; F187-Q191 PolarHBondContact O-N 3.28Å
188S68.8Low69.7Low60 Ų60121.8 Ų121.842%0.4256%0.563SS.*Hα-helixtrans-61.7-43.4176.8176.50000112.1V184 F185 K190 Q191 V192V184-S188 WeakPolarHBondContact O-CB 3.34Å; V184-S188 PolarHBondContact O-N 3.35Å; F185-S188 PolarHBondContact O-N 2.82Å; S188-K190 VanDerWaalsContact C-N 3.34Å; S188-K190 PolarHBondContact O-N 3.4Å; S188-Q191 WeakPolarHBondContact O-CB 3.36Å; S188-Q191 PolarHBondContact O-N 3.33Å; S188-V192 WeakPolarHBondContact O-CG2 3.46Å; S188-V192 PolarHBondContact O-N 3.22Å
189Q74.5Confident71.4Confident109 Ų109118.8 Ų118.851%0.50956%0.558SS.*Hα-helixtrans-62.4-40.4174.6-178.8179.169.400112F185 Q191 M193F185-Q189 WeakPolarHBondContact O-CB 3.45Å; F185-Q189 PolarHBondContact O-N 3.01Å; Q189-Q191 VanDerWaalsContact C-N 3.28Å; Q189-Q191 PolarHBondContact O-N 2.97Å; Q189-M193 VanDerWaalsContact O-CB 3.31Å; Q189-M193 WeakPolarHBondContact O-CB 3.48Å; Q189-M193 WeakPolarHBondContact O-CG 3.5Å; Q189-M193 PolarHBondContact O-N 3.21Å
190K78.4Confident72.8Confident161 Ų161114.6 Ų114.670%0.755%0.548SS*.Hα-helixtrans-67-32.4177.2-155178.8-168.9-1730111.7K186 F187 S188 F194K186-K190 VanDerWaalsContact O-CB 3.24Å; K186-K190 WeakPolarHBondContact O-CB 3.19Å; K186-K190 PolarHBondContact O-N 2.91Å; F187-K190 PolarHBondContact O-N 2.98Å; S188-K190 VanDerWaalsContact C-N 3.34Å; S188-K190 PolarHBondContact O-N 3.4Å; K190-F194 WeakPolarHBondContact O-CB 3.41Å; K190-F194 PolarHBondContact O-N 3.43Å; K190-F194 VanDerWaalsContact O-N 3.08Å
191Q77.7Confident74.4Confident114 Ų114112.6 Ų112.653%0.53354%0.541SS..Hα-helixtrans-71.6-47.3176.8-154.916914.900111.2F187 S188 Q189 M193 F194 E195F187-Q191 WeakPolarHBondContact O-CB 3.44Å; F187-Q191 PolarHBondContact O-N 3.28Å; S188-Q191 WeakPolarHBondContact O-CB 3.36Å; S188-Q191 PolarHBondContact O-N 3.33Å; Q189-Q191 VanDerWaalsContact C-N 3.28Å; Q189-Q191 PolarHBondContact O-N 2.97Å; Q191-M193 PolarHBondContact O-N 3.47Å; Q191-F194 PolarHBondContact O-N 3.1Å; Q191-F194 VanDerWaalsContact O-N 3.13Å; Q191-E195 PolarHBondContact O-N 3.09Å
192V78.3Confident76.2Confident71 Ų71109.4 Ų109.443%0.4353%0.532SS..Hα-helixtrans-59.8-45.7173.8174.20000111.2S188 F194 E195 E196S188-V192 WeakPolarHBondContact O-CG2 3.46Å; S188-V192 PolarHBondContact O-N 3.22Å; V192-F194 VanDerWaalsContact C-N 3.27Å; V192-F194 PolarHBondContact O-N 3.33Å; V192-E195 PolarHBondContact O-N 3.14Å; V192-E196 HydrophobicContact CG1-CG 4.3Å; V192-E196 WeakPolarHBondContact O-CB 3.08Å; V192-E196 WeakPolarHBondContact O-CG 3.43Å; V192-E196 PolarHBondContact O-N 3.37Å
193M76.3Confident77.8Confident116 Ų116108 Ų10857%0.57153%0.532SS*.Hα-helixtrans-61.6-33.1175.6-83.4-76.4-6600113.2Q189 Q191 L197Q189-M193 VanDerWaalsContact O-CB 3.31Å; Q189-M193 WeakPolarHBondContact O-CB 3.48Å; Q189-M193 WeakPolarHBondContact O-CG 3.5Å; Q189-M193 PolarHBondContact O-N 3.21Å; Q191-M193 PolarHBondContact O-N 3.47Å; M193-L197 WeakPolarHBondContact O-CB 3.38Å; M193-L197 PolarHBondContact O-N 2.9Å
194F82.2Confident79.3Confident150 Ų150105.7 Ų105.766%0.65853%0.529SS*.Hα-helixtrans-73.9-37178.5-152.6-87000111.3K190 Q191 V192 L197 N198K190-F194 WeakPolarHBondContact O-CB 3.41Å; K190-F194 PolarHBondContact O-N 3.43Å; K190-F194 VanDerWaalsContact O-N 3.08Å; Q191-F194 PolarHBondContact O-N 3.1Å; Q191-F194 VanDerWaalsContact O-N 3.13Å; V192-F194 VanDerWaalsContact C-N 3.27Å; V192-F194 PolarHBondContact O-N 3.33Å; F194-L197 PolarHBondContact O-N 3.45Å; F194-N198 WeakPolarHBondContact O-CB 3.45Å; F194-N198 PolarHBondContact O-N 3.42Å
195E80.6Confident80.7Confident126 Ų126106.7 Ų106.759%0.58953%0.527SS*.Hα-helixtrans-70-45.5176.1-158147.9-154.600110.9Q191 V192 L197 N198 D199Q191-E195 PolarHBondContact O-N 3.09Å; V192-E195 PolarHBondContact O-N 3.14Å; E195-L197 VanDerWaalsContact C-N 3.31Å; E195-L197 PolarHBondContact O-N 2.92Å; E195-N198 PolarHBondContact O-N 3.23Å; E195-N198 VanDerWaalsContact O-N 3.13Å; E195-D199 PolarHBondContact O-N 2.99Å
196E81.2Confident82.1Confident114 Ų114105.7 Ų105.753%0.53353%0.528SS..Hα-helixtrans-58.9-39.9171.1-73.6178.5170.200112.3V192 A200V192-E196 HydrophobicContact CG1-CG 4.3Å; V192-E196 WeakPolarHBondContact O-CB 3.08Å; V192-E196 WeakPolarHBondContact O-CG 3.43Å; V192-E196 PolarHBondContact O-N 3.37Å; E196-A200 VanDerWaalsContact O-CB 3.28Å; E196-A200 WeakPolarHBondContact O-CB 3.33Å; E196-A200 PolarHBondContact O-N 3.48Å
197L85.3Confident83.3Confident106 Ų106105.4 Ų105.456%0.55553%0.531SS*.Hα-helixtrans-66.1-41.1175.6-176.367.3000111.5M193 F194 E195 A200 L201M193-L197 WeakPolarHBondContact O-CB 3.38Å; M193-L197 PolarHBondContact O-N 2.9Å; F194-L197 PolarHBondContact O-N 3.45Å; E195-L197 VanDerWaalsContact C-N 3.31Å; E195-L197 PolarHBondContact O-N 2.92Å; L197-A200 PolarHBondContact O-N 3.39Å; L197-L201 WeakPolarHBondContact O-CB 3.47Å; L197-L201 PolarHBondContact O-N 2.94Å
198N87.6Confident84.4Confident76 Ų76100.7 Ų100.741%0.40652%0.518SS..Hα-helixtrans-67.6-41.8178.6-175.176.3000111.9F194 E195 L201 Q202F194-N198 WeakPolarHBondContact O-CB 3.45Å; F194-N198 PolarHBondContact O-N 3.42Å; E195-N198 PolarHBondContact O-N 3.23Å; E195-N198 VanDerWaalsContact O-N 3.13Å; N198-L201 PolarHBondContact O-N 3.01Å; N198-Q202 PolarHBondContact O-N 2.89Å
199D85.2Confident85.6Confident93 Ų93100.8 Ų100.850%0.49752%0.522SS..Hα-helixtrans-64.3-42175.1-73.8-8.7000111.4E195 L201 Q202 S203E195-D199 PolarHBondContact O-N 2.99Å; D199-L201 VanDerWaalsContact C-N 3.29Å; D199-L201 PolarHBondContact O-N 3.36Å; D199-Q202 PolarHBondContact O-N 2.95Å; D199-S203 WeakPolarHBondContact O-CB 3.43Å; D199-S203 PolarHBondContact O-N 2.98Å
200A84.7Confident86.5Confident52 Ų52100.9 Ų100.943%0.4352%0.522SS..Hα-helixtrans-60.2-41.3173.900000111.5E196 L197 S203 H204E196-A200 VanDerWaalsContact O-CB 3.28Å; E196-A200 WeakPolarHBondContact O-CB 3.33Å; E196-A200 PolarHBondContact O-N 3.48Å; L197-A200 PolarHBondContact O-N 3.39Å; A200-S203 PolarHBondContact O-N 3.42Å; A200-S203 PolarHBondContact O-OG 2.92Å; A200-H204 WeakPolarHBondContact O-CB 3.42Å; A200-H204 PolarHBondContact O-N 3.3Å
201L90.8Very high87.3Confident91 Ų9195.9 Ų95.948%0.47651%0.507SS..Hα-helixtrans-67.4-44.7179.8-142.5140.7000111.9L197 N198 D199 S203 H204 E205L197-L201 WeakPolarHBondContact O-CB 3.47Å; L197-L201 PolarHBondContact O-N 2.94Å; N198-L201 PolarHBondContact O-N 3.01Å; D199-L201 VanDerWaalsContact C-N 3.29Å; D199-L201 PolarHBondContact O-N 3.36Å; L201-S203 PolarHBondContact O-N 3.41Å; L201-H204 WeakPolarHBondContact O-CB 3.23Å; L201-H204 PolarHBondContact O-N 3.2Å; L201-E205 PolarHBondContact O-N 2.9Å
202Q90.7Very high88.2Confident99 Ų9994.6 Ų94.646%0.46351%0.507SS..Hα-helixtrans-62.7-40.4173.1-75.6-172.50.500112.1N198 D199 H204 E205 N206N198-Q202 PolarHBondContact O-N 2.89Å; D199-Q202 PolarHBondContact O-N 2.95Å; Q202-H204 VanDerWaalsContact C-N 3.29Å; Q202-H204 PolarHBondContact O-N 2.95Å; Q202-E205 PolarHBondContact O-N 3.48Å; Q202-N206 WeakPolarHBondContact O-CB 3.3Å; Q202-N206 VanDerWaalsContact O-CG 3.23Å; Q202-N206 PolarHBondContact O-N 3.44Å; Q202-N206 PolarHBondContact O-ND2 2.86Å
203S87Confident89Confident61 Ų6196.2 Ų96.243%0.42751%0.509SS..Hα-helixtrans-62.9-39.6175.889.50000111.4D199 A200 L201 N206 I207D199-S203 WeakPolarHBondContact O-CB 3.43Å; D199-S203 PolarHBondContact O-N 2.98Å; A200-S203 PolarHBondContact O-N 3.42Å; A200-S203 PolarHBondContact O-OG 2.92Å; L201-S203 PolarHBondContact O-N 3.41Å; S203-N206 PolarHBondContact O-N 3.22Å; S203-I207 WeakPolarHBondContact O-CB 3.47Å; S203-I207 WeakPolarHBondContact O-CD1 3.49Å; S203-I207 VanDerWaalsContact O-CG1 3.23Å; S203-I207 WeakPolarHBondContact O-CG1 3.23Å; S203-I207 PolarHBondContact O-N 2.73Å
204H90.9Very high89.9Confident136 Ų13694.2 Ų94.263%0.6350%0.501SS*.Hα-helixtrans-67.3-41.7177.4-175.9-81.2000111.6A200 L201 Q202 I207 A208A200-H204 WeakPolarHBondContact O-CB 3.42Å; A200-H204 PolarHBondContact O-N 3.3Å; L201-H204 WeakPolarHBondContact O-CB 3.23Å; L201-H204 PolarHBondContact O-N 3.2Å; Q202-H204 VanDerWaalsContact C-N 3.29Å; Q202-H204 PolarHBondContact O-N 2.95Å; H204-I207 PolarHBondContact O-N 3.45Å; H204-A208 VanDerWaalsContact O-CB 3.3Å; H204-A208 WeakPolarHBondContact O-CB 3.5Å; H204-A208 PolarHBondContact O-N 3.36Å
205E92.9Very high90.6Very high116 Ų11693.1 Ų93.154%0.54250%0.498SS..Hα-helixtrans-62.5-42.7173.7-76.4-178.6171.400112.2L201 Q202 A208 A209L201-E205 PolarHBondContact O-N 2.9Å; Q202-E205 PolarHBondContact O-N 3.48Å; E205-A208 PolarHBondContact O-N 3.39Å; E205-A209 WeakPolarHBondContact O-CB 3.4Å; E205-A209 PolarHBondContact O-N 3.26Å
206N92.6Very high91.3Very high114 Ų11490.5 Ų90.561%0.6149%0.49SS*.Hα-helixtrans-63.7-42.5176.5-72.7-28.8000112Q202 S203 A209 H210Q202-N206 WeakPolarHBondContact O-CB 3.3Å; Q202-N206 VanDerWaalsContact O-CG 3.23Å; Q202-N206 PolarHBondContact O-N 3.44Å; Q202-N206 PolarHBondContact O-ND2 2.86Å; S203-N206 PolarHBondContact O-N 3.22Å; N206-A209 PolarHBondContact O-N 3Å; N206-H210 WeakPolarHBondContact O-CB 3.4Å; N206-H210 PolarHBondContact O-N 2.85Å
207I91.7Very high92Very high108 Ų10889.3 Ų89.355%0.55449%0.485SS*.Hα-helixtrans-64.8-43.8175.3-69.1164.9000110.2S203 H204 H210 C211S203-I207 WeakPolarHBondContact O-CB 3.47Å; S203-I207 WeakPolarHBondContact O-CD1 3.49Å; S203-I207 VanDerWaalsContact O-CG1 3.23Å; S203-I207 WeakPolarHBondContact O-CG1 3.23Å; S203-I207 PolarHBondContact O-N 2.73Å; H204-I207 PolarHBondContact O-N 3.45Å; I207-H210 PolarHBondContact O-N 3.3Å; I207-C211 PolarHBondContact O-N 3.22Å; I207-C211 PolarHBondContact O-SG 2.84Å
208A94.5Very high92.5Very high42 Ų4289.7 Ų89.735%0.34749%0.487SS..Hα-helixtrans-62-44.3177.600000112.1H204 E205 H210 C211 V212H204-A208 VanDerWaalsContact O-CB 3.3Å; H204-A208 WeakPolarHBondContact O-CB 3.5Å; H204-A208 PolarHBondContact O-N 3.36Å; E205-A208 PolarHBondContact O-N 3.39Å; A208-H210 VanDerWaalsContact C-N 3.32Å; A208-H210 PolarHBondContact O-N 3.28Å; A208-C211 WeakPolarHBondContact O-CB 3.34Å; A208-C211 PolarHBondContact O-N 2.88Å; A208-V212 WeakPolarHBondContact O-CG2 3.46Å; A208-V212 PolarHBondContact O-N 3.27Å
209A93.5Very high93Very high61 Ų6188.5 Ų88.550%0.50449%0.488SS..Hα-helixtrans-61.4-40.8175.300000111.9E205 N206 V212 H213E205-A209 WeakPolarHBondContact O-CB 3.4Å; E205-A209 PolarHBondContact O-N 3.26Å; N206-A209 PolarHBondContact O-N 3Å; A209-V212 PolarHBondContact O-N 3.5Å; A209-H213 WeakPolarHBondContact O-CB 3.47Å; A209-H213 PolarHBondContact O-N 3.49Å
210H94.5Very high93.5Very high111 Ų11189 Ų8951%0.51449%0.491SS..Hα-helixtrans-64.4-40.9174.7-171.795.9000112.2N206 I207 A208 H213 L214N206-H210 WeakPolarHBondContact O-CB 3.4Å; N206-H210 PolarHBondContact O-N 2.85Å; I207-H210 PolarHBondContact O-N 3.3Å; A208-H210 VanDerWaalsContact C-N 3.32Å; A208-H210 PolarHBondContact O-N 3.28Å; H210-H213 PolarHBondContact O-N 2.96Å; H210-L214 VanDerWaalsContact CD2-CD1 3.45Å; H210-L214 WeakPolarHBondContact CD2-CD1 3.36Å; H210-L214 VanDerWaalsContact NE2-CD1 3.34Å; H210-L214 WeakPolarHBondContact NE2-CD1 3.41Å; H210-L214 PolarHBondContact O-N 2.86Å
211C94.8Very high94Very high57 Ų5790.3 Ų90.339%0.38550%0.495SS..Hα-helixtrans-61-47.3174.8-70.80000111.6I207 A208 H213 L214 E215I207-C211 PolarHBondContact O-N 3.22Å; I207-C211 PolarHBondContact O-SG 2.84Å; A208-C211 WeakPolarHBondContact O-CB 3.34Å; A208-C211 PolarHBondContact O-N 2.88Å; C211-H213 VanDerWaalsContact C-N 3.3Å; C211-H213 PolarHBondContact O-N 3.38Å; C211-L214 PolarHBondContact O-N 3.45Å; C211-E215 WeakPolarHBondContact O-CB 3.45Å; C211-E215 VanDerWaalsContact O-CG 3.3Å; C211-E215 WeakPolarHBondContact O-CG 3.48Å; C211-E215 PolarHBondContact O-N 3.25Å
212V96.3Very high94.2Very high86 Ų8689.3 Ų89.352%0.52149%0.493SS..Hα-helixtrans-61.3-39.8177.2172.10000111.4A208 A209 E215 T216A208-V212 WeakPolarHBondContact O-CG2 3.46Å; A208-V212 PolarHBondContact O-N 3.27Å; A209-V212 PolarHBondContact O-N 3.5Å; V212-E215 PolarHBondContact O-N 2.94Å; V212-T216 PolarHBondContact O-N 2.8Å; V212-T216 PolarHBondContact O-OG1 2.9Å
213H95.7Very high94.5Very high105 Ų10587.1 Ų87.149%0.48649%0.492SS..Hα-helixtrans-64.2-46.3176.1-174.362.3000112.2A209 H210 C211 E215 T216 Q217A209-H213 WeakPolarHBondContact O-CB 3.47Å; A209-H213 PolarHBondContact O-N 3.49Å; H210-H213 PolarHBondContact O-N 2.96Å; C211-H213 VanDerWaalsContact C-N 3.3Å; C211-H213 PolarHBondContact O-N 3.38Å; H213-E215 VanDerWaalsContact C-N 3.35Å; H213-E215 PolarHBondContact O-N 3.33Å; H213-T216 PolarHBondContact O-N 2.99Å; H213-Q217 PolarHBondContact NE2-NE2 3.4Å; H213-Q217 WeakPolarHBondContact O-CG 3.44Å; H213-Q217 PolarHBondContact O-N 3.44Å
214L95.4Very high95Very high75 Ų7590.1 Ų90.139%0.39350%0.499SS..Hα-helixtrans-62.8-39.8175.8-80176.6000112.3H210 C211 T216 Q217 L218H210-L214 VanDerWaalsContact CD2-CD1 3.45Å; H210-L214 WeakPolarHBondContact CD2-CD1 3.36Å; H210-L214 VanDerWaalsContact NE2-CD1 3.34Å; H210-L214 WeakPolarHBondContact NE2-CD1 3.41Å; H210-L214 PolarHBondContact O-N 2.86Å; C211-L214 PolarHBondContact O-N 3.45Å; L214-T216 VanDerWaalsContact C-N 3.33Å; L214-Q217 PolarHBondContact O-N 3.39Å; L214-L218 WeakPolarHBondContact O-CB 3.3Å; L214-L218 WeakPolarHBondContact O-CG 3.41Å; L214-L218 PolarHBondContact O-N 2.92Å
215E96.5Very high95.3Very high126 Ų12690 Ų9059%0.58950%0.497SS*.Hα-helixtrans-63.1-40.1175.4-75172.5179.700111.8C211 V212 H213 L218 A219C211-E215 WeakPolarHBondContact O-CB 3.45Å; C211-E215 VanDerWaalsContact O-CG 3.3Å; C211-E215 WeakPolarHBondContact O-CG 3.48Å; C211-E215 PolarHBondContact O-N 3.25Å; V212-E215 PolarHBondContact O-N 2.94Å; H213-E215 VanDerWaalsContact C-N 3.35Å; H213-E215 PolarHBondContact O-N 3.33Å; E215-L218 PolarHBondContact O-N 3.13Å; E215-A219 WeakPolarHBondContact O-CB 3.34Å; E215-A219 PolarHBondContact O-N 2.97Å
216T95.4Very high95.4Very high71 Ų7191.1 Ų91.144%0.43650%0.502SS..Hα-helixtrans-65.5-46.5175.8-530000111V212 H213 L214 L218 A219 D220V212-T216 PolarHBondContact O-N 2.8Å; V212-T216 PolarHBondContact O-OG1 2.9Å; H213-T216 PolarHBondContact O-N 2.99Å; L214-T216 VanDerWaalsContact C-N 3.33Å; T216-L218 VanDerWaalsContact C-N 3.31Å; T216-L218 PolarHBondContact O-N 2.97Å; T216-A219 WeakPolarHBondContact O-CB 3.42Å; T216-A219 PolarHBondContact O-N 3.4Å; T216-A219 VanDerWaalsContact O-N 3.13Å; T216-D220 PolarHBondContact O-N 3.38Å
217Q96.9Very high95.7Very high90 Ų9089.1 Ų89.142%0.42150%0.497SS..Hα-helixtrans-60.6-39.6175.4-72.2-172.6-1.900112.2H213 L214 D220 C221H213-Q217 PolarHBondContact NE2-NE2 3.4Å; H213-Q217 WeakPolarHBondContact O-CG 3.44Å; H213-Q217 PolarHBondContact O-N 3.44Å; L214-Q217 PolarHBondContact O-N 3.39Å; Q217-D220 PolarHBondContact O-N 2.88Å; Q217-C221 WeakPolarHBondContact O-CB 3.37Å; Q217-C221 PolarHBondContact O-N 3.38Å; Q217-C221 PolarHBondContact O-SG 3.35Å; Q217-C221 VanDerWaalsContact O-SG 3.4Å
218L95.4Very high95.9Very high113 Ų11388.5 Ų88.559%0.59250%0.495SS*.Hα-helixtrans-65.7-38.5174.8-77.2172000111.8L214 E215 T216 T222L214-L218 WeakPolarHBondContact O-CB 3.3Å; L214-L218 WeakPolarHBondContact O-CG 3.41Å; L214-L218 PolarHBondContact O-N 2.92Å; E215-L218 PolarHBondContact O-N 3.13Å; T216-L218 VanDerWaalsContact C-N 3.31Å; T216-L218 PolarHBondContact O-N 2.97Å; L218-T222 WeakPolarHBondContact O-CB 3.19Å; L218-T222 WeakPolarHBondContact O-CG2 3.33Å; L218-T222 PolarHBondContact O-N 2.89Å; L218-T222 PolarHBondContact O-OG1 2.81Å
219A96.7Very high96Very high52 Ų5291.2 Ų91.243%0.4350%0.502SS..Hα-helixtrans-62.7-44.217400000111.6E215 T216 T222 A223E215-A219 WeakPolarHBondContact O-CB 3.34Å; E215-A219 PolarHBondContact O-N 2.97Å; T216-A219 WeakPolarHBondContact O-CB 3.42Å; T216-A219 PolarHBondContact O-N 3.4Å; T216-A219 VanDerWaalsContact O-N 3.13Å; A219-T222 WeakPolarHBondContact CA-OG1 3.47Å; A219-T222 PolarHBondContact O-N 2.91Å; A219-T222 PolarHBondContact O-OG1 2.99Å; A219-A223 WeakPolarHBondContact O-CB 3.28Å; A219-A223 PolarHBondContact O-N 2.88Å
220D96.2Very high96.1Very high104 Ų10491.8 Ų91.856%0.55650%0.503SS*.Hα-helixtrans-65.9-47.2177.4-68.8-24.8000111.7T216 Q217 T222 A223 E224T216-D220 PolarHBondContact O-N 3.38Å; Q217-D220 PolarHBondContact O-N 2.88Å; D220-T222 VanDerWaalsContact C-N 3.28Å; D220-T222 PolarHBondContact O-N 3.34Å; D220-A223 PolarHBondContact O-N 3.23Å; D220-E224 PolarHBondContact O-N 2.89Å
221C95.2Very high96.3Very high78 Ų7892 Ų9253%0.52750%0.502SS..Hα-helixtrans-61.8-35176.1-760000112.4Q217 K225Q217-C221 WeakPolarHBondContact O-CB 3.37Å; Q217-C221 PolarHBondContact O-N 3.38Å; Q217-C221 PolarHBondContact O-SG 3.35Å; Q217-C221 VanDerWaalsContact O-SG 3.4Å; C221-K225 VanDerWaalsContact O-CB 3.28Å; C221-K225 WeakPolarHBondContact O-CB 3.37Å; C221-K225 PolarHBondContact O-N 2.88Å
222T96.2Very high96.3Very high71 Ų7194.1 Ų94.144%0.43651%0.509SS..Hα-helixtrans-74-37.7176.352.40000112.1L218 A219 D220 K225 Q226L218-T222 WeakPolarHBondContact O-CB 3.19Å; L218-T222 WeakPolarHBondContact O-CG2 3.33Å; L218-T222 PolarHBondContact O-N 2.89Å; L218-T222 PolarHBondContact O-OG1 2.81Å; A219-T222 WeakPolarHBondContact CA-OG1 3.47Å; A219-T222 PolarHBondContact O-N 2.91Å; A219-T222 PolarHBondContact O-OG1 2.99Å; D220-T222 VanDerWaalsContact C-N 3.28Å; D220-T222 PolarHBondContact O-N 3.34Å; T222-K225 PolarHBondContact O-N 3.46Å; T222-Q226 WeakPolarHBondContact O-CB 3.49Å; T222-Q226 VanDerWaalsContact O-CG 3.31Å; T222-Q226 WeakPolarHBondContact O-CG 3.26Å; T222-Q226 PolarHBondContact O-N 3.39Å
223A96.8Very high96.3Very high53 Ų5392.8 Ų92.844%0.43851%0.507SS..Hα-helixtrans-63-44.4172.800000111.7A219 D220 Q226 S227A219-A223 WeakPolarHBondContact O-CB 3.28Å; A219-A223 PolarHBondContact O-N 2.88Å; D220-A223 PolarHBondContact O-N 3.23Å; A223-Q226 PolarHBondContact O-N 3.16Å; A223-S227 WeakPolarHBondContact O-CB 3.42Å; A223-S227 PolarHBondContact O-N 3.35Å
224E97Very high96.3Very high123 Ų12390 Ų9058%0.57550%0.5SS*.Hα-helixtrans-62.3-46.8175.1-172.7-178-177.800111.2D220 Q226 S227 L228D220-E224 PolarHBondContact O-N 2.89Å; E224-Q226 VanDerWaalsContact C-N 3.31Å; E224-Q226 PolarHBondContact O-N 2.85Å; E224-S227 WeakPolarHBondContact O-CB 3.41Å; E224-S227 PolarHBondContact O-N 2.9Å; E224-S227 VanDerWaalsContact O-N 3.16Å; E224-L228 HydrophobicContact CG-CD1 4.21Å; E224-L228 HydrophobicContact CG-CG 4.46Å; E224-L228 WeakPolarHBondContact O-CG 3.42Å; E224-L228 PolarHBondContact O-N 3.29Å
225K96.5Very high96.4Very high134 Ų13490.1 Ų90.158%0.58350%0.5SS*.Hα-helixtrans-56.1-44.7174.6174.2-177.6164.7-179.90111.8C221 T222 L228 L229C221-K225 VanDerWaalsContact O-CB 3.28Å; C221-K225 WeakPolarHBondContact O-CB 3.37Å; C221-K225 PolarHBondContact O-N 2.88Å; T222-K225 PolarHBondContact O-N 3.46Å; K225-L228 PolarHBondContact O-N 3.47Å; K225-L229 HydrophobicContact CG-CD1 4.13Å; K225-L229 WeakPolarHBondContact O-CB 3.45Å; K225-L229 VanDerWaalsContact O-CG 3.26Å; K225-L229 WeakPolarHBondContact O-CG 3.31Å; K225-L229 PolarHBondContact O-N 2.92Å
226Q96.8Very high96.3Very high139 Ų13987.3 Ų87.365%0.6549%0.492SS*.Hα-helixtrans-65.4-40.7177.6-74.6178.2700111.9T222 A223 E224 L229 S230T222-Q226 WeakPolarHBondContact O-CB 3.49Å; T222-Q226 VanDerWaalsContact O-CG 3.31Å; T222-Q226 WeakPolarHBondContact O-CG 3.26Å; T222-Q226 PolarHBondContact O-N 3.39Å; A223-Q226 PolarHBondContact O-N 3.16Å; E224-Q226 VanDerWaalsContact C-N 3.31Å; E224-Q226 PolarHBondContact O-N 2.85Å; Q226-L229 PolarHBondContact O-N 3.43Å; Q226-S230 WeakPolarHBondContact O-CB 3.3Å; Q226-S230 PolarHBondContact O-N 2.86Å
227S97.3Very high96.3Very high72 Ų7290.6 Ų90.650%0.50350%0.502SS..Hα-helixtrans-60.2-48.7174.6179.30000111.5A223 E224 L229 S230 K231A223-S227 WeakPolarHBondContact O-CB 3.42Å; A223-S227 PolarHBondContact O-N 3.35Å; E224-S227 WeakPolarHBondContact O-CB 3.41Å; E224-S227 PolarHBondContact O-N 2.9Å; E224-S227 VanDerWaalsContact O-N 3.16Å; S227-L229 PolarHBondContact O-N 3.4Å; S227-S230 PolarHBondContact O-N 3.48Å; S227-S230 PolarHBondContact O-OG 2.94Å; S227-K231 PolarHBondContact O-N 3.46Å
228L95.9Very high96.2Very high96 Ų9691.6 Ų91.650%0.50351%0.507SS..Hα-helixtrans-62.9-41.9177.5-70.4175.4000111.9E224 K225 S230 K231 I232E224-L228 HydrophobicContact CG-CD1 4.21Å; E224-L228 HydrophobicContact CG-CG 4.46Å; E224-L228 WeakPolarHBondContact O-CG 3.42Å; E224-L228 PolarHBondContact O-N 3.29Å; K225-L228 PolarHBondContact O-N 3.47Å; L228-S230 VanDerWaalsContact C-N 3.34Å; L228-S230 PolarHBondContact O-N 3.4Å; L228-K231 PolarHBondContact O-N 3.24Å; L228-I232 WeakPolarHBondContact O-CB 3.48Å; L228-I232 VanDerWaalsContact O-CG1 3.26Å; L228-I232 WeakPolarHBondContact O-CG1 3.47Å; L228-I232 PolarHBondContact O-N 3.19Å
229L97.1Very high96.2Very high98 Ų9892.1 Ų92.151%0.51351%0.509SS..Hα-helixtrans-62.2-40.7174.5-74.2173.5000112K225 Q226 S227 K231 I232 A233K225-L229 HydrophobicContact CG-CD1 4.13Å; K225-L229 WeakPolarHBondContact O-CB 3.45Å; K225-L229 VanDerWaalsContact O-CG 3.26Å; K225-L229 WeakPolarHBondContact O-CG 3.31Å; K225-L229 PolarHBondContact O-N 2.92Å; Q226-L229 PolarHBondContact O-N 3.43Å; S227-L229 PolarHBondContact O-N 3.4Å; L229-K231 VanDerWaalsContact C-N 3.31Å; L229-K231 PolarHBondContact O-N 2.96Å; L229-I232 PolarHBondContact O-N 2.91Å; L229-A233 WeakPolarHBondContact O-CB 3.26Å; L229-A233 PolarHBondContact O-N 2.69Å
230S96.3Very high96.1Very high74 Ų7495.4 Ų95.452%0.51752%0.516SS..Hα-helixtrans-63.4-39.1175.982.40000111.7Q226 S227 L228 A233 S234Q226-S230 WeakPolarHBondContact O-CB 3.3Å; Q226-S230 PolarHBondContact O-N 2.86Å; S227-S230 PolarHBondContact O-N 3.48Å; S227-S230 PolarHBondContact O-OG 2.94Å; L228-S230 VanDerWaalsContact C-N 3.34Å; L228-S230 PolarHBondContact O-N 3.4Å; S230-A233 PolarHBondContact O-N 2.86Å; S230-S234 WeakPolarHBondContact O-CB 3.38Å; S230-S234 PolarHBondContact O-N 2.9Å
231K97.2Very high96Very high115 Ų11593.2 Ų93.250%0.551%0.512SS..Hα-helixtrans-69.1-42.6177.4-175.759.9175.7-179.40111.8S227 L228 L229 A233 S234 L235S227-K231 PolarHBondContact O-N 3.46Å; L228-K231 PolarHBondContact O-N 3.24Å; L229-K231 VanDerWaalsContact C-N 3.31Å; L229-K231 PolarHBondContact O-N 2.96Å; K231-A233 VanDerWaalsContact C-N 3.35Å; K231-S234 PolarHBondContact O-N 3.47Å; K231-L235 HydrophobicContact CD-CD1 4.43Å; K231-L235 HydrophobicContact CD-CG 4.37Å; K231-L235 HydrophobicContact CG-CD1 4.21Å; K231-L235 WeakPolarHBondContact O-CB 3.47Å; K231-L235 WeakPolarHBondContact O-CG 3.43Å; K231-L235 PolarHBondContact O-N 3.34Å
232I94.9Very high95.9Very high101 Ų10193.2 Ų93.252%0.51851%0.513SS..Hα-helixtrans-60.9-45.5174.4-70.6166000110L228 L229 S234 L235 T236L228-I232 WeakPolarHBondContact O-CB 3.48Å; L228-I232 VanDerWaalsContact O-CG1 3.26Å; L228-I232 WeakPolarHBondContact O-CG1 3.47Å; L228-I232 PolarHBondContact O-N 3.19Å; L229-I232 PolarHBondContact O-N 2.91Å; I232-S234 PolarHBondContact O-N 2.9Å; I232-L235 PolarHBondContact O-N 2.68Å; I232-T236 VanDerWaalsContact O-CB 3.3Å; I232-T236 WeakPolarHBondContact O-CB 3.38Å; I232-T236 PolarHBondContact O-N 3.37Å; I232-T236 PolarHBondContact O-OG1 2.89Å
233A96.7Very high95.8Very high59 Ų5993 Ų9349%0.48852%0.515SS..Hα-helixtrans-60.2-45.9176.800000111.6L229 S230 K231 T236 Q237L229-A233 WeakPolarHBondContact O-CB 3.26Å; L229-A233 PolarHBondContact O-N 2.69Å; S230-A233 PolarHBondContact O-N 2.86Å; K231-A233 VanDerWaalsContact C-N 3.35Å; A233-T236 PolarHBondContact O-N 2.91Å; A233-Q237 WeakPolarHBondContact O-CB 3.43Å; A233-Q237 PolarHBondContact O-N 3.35Å
234S96.7Very high95.6Very high47 Ų4795.7 Ų95.733%0.32952%0.521SS..Hα-helixtrans-61.3-46.7176.9176.20000112.8S230 K231 I232 T236 Q237 Q238S230-S234 WeakPolarHBondContact O-CB 3.38Å; S230-S234 PolarHBondContact O-N 2.9Å; K231-S234 PolarHBondContact O-N 3.47Å; I232-S234 PolarHBondContact O-N 2.9Å; S234-T236 VanDerWaalsContact C-N 3.35Å; S234-Q237 PolarHBondContact O-N 2.92Å; S234-Q238 WeakPolarHBondContact O-CG 3.44Å; S234-Q238 PolarHBondContact O-N 3.36Å
235L95.9Very high95.4Very high77 Ų7792.5 Ų92.540%0.40351%0.512SS..Hα-helixtrans-65.9-37.9177.6-72.7174.6000112.1K231 I232 Q238 L239K231-L235 HydrophobicContact CD-CD1 4.43Å; K231-L235 HydrophobicContact CD-CG 4.37Å; K231-L235 HydrophobicContact CG-CD1 4.21Å; K231-L235 WeakPolarHBondContact O-CB 3.47Å; K231-L235 WeakPolarHBondContact O-CG 3.43Å; K231-L235 PolarHBondContact O-N 3.34Å; I232-L235 PolarHBondContact O-N 2.68Å; L235-Q238 PolarHBondContact O-N 2.95Å; L235-L239 WeakPolarHBondContact O-CB 3.38Å; L235-L239 WeakPolarHBondContact O-CG 3.49Å; L235-L239 PolarHBondContact O-N 3.44Å
236T95.3Very high95.2Very high67 Ų6792.8 Ų92.841%0.41151%0.514SS..Hα-helixtrans-64.3-43.7176.2-55.80000110.7I232 A233 S234 L239 Q240I232-T236 VanDerWaalsContact O-CB 3.3Å; I232-T236 WeakPolarHBondContact O-CB 3.38Å; I232-T236 PolarHBondContact O-N 3.37Å; I232-T236 PolarHBondContact O-OG1 2.89Å; A233-T236 PolarHBondContact O-N 2.91Å; S234-T236 VanDerWaalsContact C-N 3.35Å; T236-L239 PolarHBondContact O-N 3.49Å; T236-Q240 WeakPolarHBondContact O-CG 3.42Å; T236-Q240 PolarHBondContact O-N 2.92Å
237Q94.9Very high95Very high139 Ų13990.7 Ų90.765%0.6550%0.504SS*.Hα-helixtrans-64.4-41.2176-171-178.610.600111.8A233 S234 Q240 A241A233-Q237 WeakPolarHBondContact O-CB 3.43Å; A233-Q237 PolarHBondContact O-N 3.35Å; S234-Q237 PolarHBondContact O-N 2.92Å; Q237-Q240 PolarHBondContact O-N 2.86Å; Q237-A241 WeakPolarHBondContact O-CB 3.42Å; Q237-A241 PolarHBondContact O-N 2.9Å
238Q96Very high94.8Very high112 Ų11293.4 Ų93.452%0.52351%0.509SS..Hα-helixtrans-62.1-45.1174.6-76.1179.5-0.100111.8S234 L235 Q240 A241 S242S234-Q238 WeakPolarHBondContact O-CG 3.44Å; S234-Q238 PolarHBondContact O-N 3.36Å; L235-Q238 PolarHBondContact O-N 2.95Å; Q238-Q240 PolarHBondContact O-N 3.36Å; Q238-A241 PolarHBondContact O-N 3.14Å; Q238-S242 WeakPolarHBondContact O-CB 3.49Å; Q238-S242 PolarHBondContact O-N 2.86Å; Q238-S242 PolarHBondContact O-OG 3.28Å; Q238-S242 VanDerWaalsContact O-OG 3.14Å
239L94Very high94.7Very high123 Ų12393.6 Ų93.664%0.64451%0.51SS*.Hα-helixtrans-62.4-41.6176.2-79.7168.2000112.3L235 T236 S242 S243L235-L239 WeakPolarHBondContact O-CB 3.38Å; L235-L239 WeakPolarHBondContact O-CG 3.49Å; L235-L239 PolarHBondContact O-N 3.44Å; T236-L239 PolarHBondContact O-N 3.49Å; L239-S242 PolarHBondContact O-N 3.27Å; L239-S243 VanDerWaalsContact O-CB 3.32Å; L239-S243 WeakPolarHBondContact O-CB 3.4Å; L239-S243 PolarHBondContact O-N 3.39Å
240Q94.8Very high94.5Very high122 Ų12295.8 Ų95.857%0.5752%0.515SS*.Hα-helixtrans-62.7-45174.5-76.9-178.4-16.200111.6T236 Q237 Q238 S243 L244T236-Q240 WeakPolarHBondContact O-CG 3.42Å; T236-Q240 PolarHBondContact O-N 2.92Å; Q237-Q240 PolarHBondContact O-N 2.86Å; Q238-Q240 PolarHBondContact O-N 3.36Å; Q240-S243 PolarHBondContact O-N 3.43Å; Q240-L244 WeakPolarHBondContact O-CB 3.32Å; Q240-L244 VanDerWaalsContact O-CG 3.32Å; Q240-L244 WeakPolarHBondContact O-CG 3.32Å; Q240-L244 PolarHBondContact O-N 2.91Å
241A94.2Very high94.4Very high58 Ų5898.6 Ų98.648%0.47952%0.518SS..Hα-helixtrans-62.2-43.2176.600000112.1Q237 Q238 L244 S245Q237-A241 WeakPolarHBondContact O-CB 3.42Å; Q237-A241 PolarHBondContact O-N 2.9Å; Q238-A241 PolarHBondContact O-N 3.14Å; A241-L244 PolarHBondContact O-N 3.46Å; A241-S245 WeakPolarHBondContact O-CB 3.32Å; A241-S245 PolarHBondContact O-N 2.9Å
242S93.1Very high94.2Very high78 Ų7899.2 Ų99.255%0.54552%0.523SS..Hα-helixtrans-64.9-38.6174.8-63.30000112.5Q238 L239 F246Q238-S242 WeakPolarHBondContact O-CB 3.49Å; Q238-S242 PolarHBondContact O-N 2.86Å; Q238-S242 PolarHBondContact O-OG 3.28Å; Q238-S242 VanDerWaalsContact O-OG 3.14Å; L239-S242 PolarHBondContact O-N 3.27Å; S242-F246 VanDerWaalsContact O-CB 3.32Å; S242-F246 WeakPolarHBondContact O-CB 3.36Å; S242-F246 PolarHBondContact O-N 3.45Å
243S93.8Very high94.1Very high67 Ų6798.1 Ų98.147%0.46952%0.524SS..Hα-helixtrans-66.7-41.9176.8-169.30000112L239 Q240 F246 E247L239-S243 VanDerWaalsContact O-CB 3.32Å; L239-S243 WeakPolarHBondContact O-CB 3.4Å; L239-S243 PolarHBondContact O-N 3.39Å; Q240-S243 PolarHBondContact O-N 3.43Å; S243-F246 PolarHBondContact O-N 2.98Å; S243-E247 PolarHBondContact O-N 2.93Å
244L94.1Very high94Very high108 Ų10899 Ų9957%0.56553%0.527SS*.Hα-helixtrans-64.3-46.9175.4-71.8171.3000111Q240 A241 F246 E247 E248Q240-L244 WeakPolarHBondContact O-CB 3.32Å; Q240-L244 VanDerWaalsContact O-CG 3.32Å; Q240-L244 WeakPolarHBondContact O-CG 3.32Å; Q240-L244 PolarHBondContact O-N 2.91Å; A241-L244 PolarHBondContact O-N 3.46Å; L244-F246 VanDerWaalsContact C-N 3.3Å; L244-F246 PolarHBondContact O-N 2.94Å; L244-E247 PolarHBondContact O-N 3.38Å; L244-E248 WeakPolarHBondContact O-CG 3.35Å; L244-E248 PolarHBondContact O-N 3.41Å
245S92.7Very high93.9Very high56 Ų5699.6 Ų99.639%0.39254%0.535SS..Hα-helixtrans-59.8-39.3175.7176.90000112.2A241 E248 L249A241-S245 WeakPolarHBondContact O-CB 3.32Å; A241-S245 PolarHBondContact O-N 2.9Å; S245-E248 PolarHBondContact O-N 3.37Å; S245-L249 WeakPolarHBondContact O-CG 3.44Å; S245-L249 PolarHBondContact O-N 2.84Å
246F92.2Very high93.9Very high140 Ų140102.2 Ų102.261%0.61454%0.542SS*.Hα-helixtrans-66.4-41.3175.3179.7-101.4000112.6S242 S243 L244 E248 L249 K250S242-F246 VanDerWaalsContact O-CB 3.32Å; S242-F246 WeakPolarHBondContact O-CB 3.36Å; S242-F246 PolarHBondContact O-N 3.45Å; S243-F246 PolarHBondContact O-N 2.98Å; L244-F246 VanDerWaalsContact C-N 3.3Å; L244-F246 PolarHBondContact O-N 2.94Å; F246-E248 VanDerWaalsContact C-N 3.34Å; F246-L249 PolarHBondContact O-N 3.18Å; F246-K250 WeakPolarHBondContact O-CB 3.43Å; F246-K250 PolarHBondContact O-N 2.93Å
247E92.8Very high93.8Very high96 Ų96101.7 Ų101.745%0.44955%0.545SS..Hα-helixtrans-63.2-39.5173.7-82.5-160.5179.800112.6S243 L244 K250 K251S243-E247 PolarHBondContact O-N 2.93Å; L244-E247 PolarHBondContact O-N 3.38Å; E247-K250 PolarHBondContact O-N 3.4Å; E247-K251 WeakPolarHBondContact O-CB 3.28Å; E247-K251 VanDerWaalsContact O-CG 3.28Å; E247-K251 WeakPolarHBondContact O-CG 3.18Å; E247-K251 PolarHBondContact O-N 2.89Å; E247-K251 IonicContact OE2-NZ 3.71Å
248E93Very high93.9Very high129 Ų12998 Ų9860%0.60354%0.538SS*.Hα-helixtrans-63.3-48.2175.4-73.5175.816700111.3L244 S245 F246 K250 K251 E252L244-E248 WeakPolarHBondContact O-CG 3.35Å; L244-E248 PolarHBondContact O-N 3.41Å; S245-E248 PolarHBondContact O-N 3.37Å; F246-E248 VanDerWaalsContact C-N 3.34Å; E248-K250 VanDerWaalsContact C-N 3.28Å; E248-K250 PolarHBondContact O-N 2.89Å; E248-K251 PolarHBondContact O-N 2.81Å; E248-K251 VanDerWaalsContact O-N 3.16Å; E248-E252 WeakPolarHBondContact O-CB 3.38Å; E248-E252 PolarHBondContact O-N 3.35Å
249L92.4Very high93.9Very high100 Ų10098.9 Ų98.952%0.52454%0.542SS..Hα-helixtrans-60.3-37.7175.1-74.8171.2000112.2S245 F246 S253S245-L249 WeakPolarHBondContact O-CG 3.44Å; S245-L249 PolarHBondContact O-N 2.84Å; F246-L249 PolarHBondContact O-N 3.18Å; L249-S253 WeakPolarHBondContact O-CB 3.31Å; L249-S253 PolarHBondContact O-N 2.95Å
250K93.4Very high94Very high143 Ų14397.8 Ų97.862%0.62254%0.537SS*.Hα-helixtrans-67.8-41.4175.8-171.9178.7179.8-177.50111.7F246 E247 E248 S254F246-K250 WeakPolarHBondContact O-CB 3.43Å; F246-K250 PolarHBondContact O-N 2.93Å; E247-K250 PolarHBondContact O-N 3.4Å; E248-K250 VanDerWaalsContact C-N 3.28Å; E248-K250 PolarHBondContact O-N 2.89Å; K250-S254 VanDerWaalsContact O-CB 3.31Å; K250-S254 WeakPolarHBondContact O-CB 3.33Å; K250-S254 PolarHBondContact O-N 3.16Å
251K93.5Very high94.1Very high134 Ų13494.9 Ų94.958%0.58353%0.53SS*.Hα-helixtrans-64.8-44.7175-75.1169-173.1162.30111E247 E248 S254 A255E247-K251 WeakPolarHBondContact O-CB 3.28Å; E247-K251 VanDerWaalsContact O-CG 3.28Å; E247-K251 WeakPolarHBondContact O-CG 3.18Å; E247-K251 PolarHBondContact O-N 2.89Å; E247-K251 IonicContact OE2-NZ 3.71Å; E248-K251 PolarHBondContact O-N 2.81Å; E248-K251 VanDerWaalsContact O-N 3.16Å; K251-S254 PolarHBondContact O-N 3.43Å; K251-A255 VanDerWaalsContact O-CB 3.27Å; K251-A255 WeakPolarHBondContact O-CB 3.27Å; K251-A255 PolarHBondContact O-N 3.3Å
252E94.1Very high94.2Very high127 Ų12794.7 Ų94.759%0.59353%0.528SS*.Hα-helixtrans-63-44.9176.1-170.7-176.117200111.3E248 S254 A255 K256E248-E252 WeakPolarHBondContact O-CB 3.38Å; E248-E252 PolarHBondContact O-N 3.35Å; E252-S254 PolarHBondContact O-N 2.82Å; E252-A255 PolarHBondContact O-N 2.81Å; E252-K256 VanDerWaalsContact O-CB 3.25Å; E252-K256 WeakPolarHBondContact O-CB 3.43Å; E252-K256 PolarHBondContact O-N 2.9Å
253S93.1Very high94.4Very high78 Ų7894 Ų9455%0.54552%0.52SS..Hα-helixtrans-61-44.4175.1-179.20000111.9L249 K256 A257L249-S253 WeakPolarHBondContact O-CB 3.31Å; L249-S253 PolarHBondContact O-N 2.95Å; S253-K256 PolarHBondContact O-N 3.33Å; S253-A257 WeakPolarHBondContact O-CB 3.25Å; S253-A257 PolarHBondContact O-N 3.39Å
254S93.6Very high94.5Very high78 Ų7894.3 Ų94.355%0.54552%0.52SS..Hα-helixtrans-65.2-40.8175.9-1750000112.2K250 K251 E252 A257 A258K250-S254 VanDerWaalsContact O-CB 3.31Å; K250-S254 WeakPolarHBondContact O-CB 3.33Å; K250-S254 PolarHBondContact O-N 3.16Å; K251-S254 PolarHBondContact O-N 3.43Å; E252-S254 PolarHBondContact O-N 2.82Å; S254-A257 PolarHBondContact O-N 2.8Å; S254-A258 WeakPolarHBondContact O-CB 3.35Å; S254-A258 PolarHBondContact O-N 2.89Å
255A95Very high94.6Very high60 Ų6095.3 Ų95.350%0.49652%0.519SS..Hα-helixtrans-65.3-42.5176.300000110.8K251 E252 A258 Q259K251-A255 VanDerWaalsContact O-CB 3.27Å; K251-A255 WeakPolarHBondContact O-CB 3.27Å; K251-A255 PolarHBondContact O-N 3.3Å; E252-A255 PolarHBondContact O-N 2.81Å; A255-A258 PolarHBondContact O-N 3.46Å; A255-Q259 WeakPolarHBondContact O-CB 3.31Å; A255-Q259 PolarHBondContact O-N 3.48Å
256K95.3Very high94.8Very high131 Ų13196.1 Ų96.157%0.5752%0.522SS*.Hα-helixtrans-65-40.6175.1-170.5173.2-175.7174.30111.9E252 S253 Q259 L260E252-K256 VanDerWaalsContact O-CB 3.25Å; E252-K256 WeakPolarHBondContact O-CB 3.43Å; E252-K256 PolarHBondContact O-N 2.9Å; S253-K256 PolarHBondContact O-N 3.33Å; K256-Q259 PolarHBondContact O-N 3.35Å; K256-L260 HydrophobicContact CG-CD1 4.36Å; K256-L260 WeakPolarHBondContact O-CB 3.34Å; K256-L260 VanDerWaalsContact O-CG 3.29Å; K256-L260 WeakPolarHBondContact O-CG 3.45Å; K256-L260 PolarHBondContact O-N 2.84Å
257A94.6Very high95.1Very high56 Ų5694.4 Ų94.446%0.46352%0.519SS..Hα-helixtrans-64.7-42174.300000111.8S253 S254 L260 S261S253-A257 WeakPolarHBondContact O-CB 3.25Å; S253-A257 PolarHBondContact O-N 3.39Å; S254-A257 PolarHBondContact O-N 2.8Å; A257-L260 PolarHBondContact O-N 3.4Å; A257-S261 WeakPolarHBondContact O-CB 3.29Å; A257-S261 PolarHBondContact O-N 2.88Å
258A95.8Very high95.3Very high61 Ų6195.3 Ų95.350%0.50452%0.523SS..Hα-helixtrans-64.6-41.7174.700000111.9S254 A255 S261 A262S254-A258 WeakPolarHBondContact O-CB 3.35Å; S254-A258 PolarHBondContact O-N 2.89Å; A255-A258 PolarHBondContact O-N 3.46Å; A258-S261 PolarHBondContact O-N 2.89Å; A258-A262 WeakPolarHBondContact O-CB 3.39Å; A258-A262 PolarHBondContact O-N 2.89Å
259Q96.5Very high95.5Very high132 Ų13296 Ų9662%0.61753%0.528SS*.Hα-helixtrans-62.3-47.1174.6-176.9-178.3-5.800111.2A255 K256 S261 A262 T263A255-Q259 WeakPolarHBondContact O-CB 3.31Å; A255-Q259 PolarHBondContact O-N 3.48Å; K256-Q259 PolarHBondContact O-N 3.35Å; Q259-S261 VanDerWaalsContact C-N 3.34Å; Q259-S261 PolarHBondContact O-N 3.19Å; Q259-A262 PolarHBondContact O-N 3.39Å; Q259-T263 WeakPolarHBondContact O-CG2 3.32Å; Q259-T263 PolarHBondContact O-N 3.43Å; Q259-T263 PolarHBondContact O-OG1 3.32Å
260L96.5Very high95.7Very high100 Ų10096.7 Ų96.752%0.52453%0.528SS..Hα-helixtrans-61.2-43.3176.7-75171.9000111.3K256 A257 A262 T263 V264K256-L260 HydrophobicContact CG-CD1 4.36Å; K256-L260 WeakPolarHBondContact O-CB 3.34Å; K256-L260 VanDerWaalsContact O-CG 3.29Å; K256-L260 WeakPolarHBondContact O-CG 3.45Å; K256-L260 PolarHBondContact O-N 2.84Å; A257-L260 PolarHBondContact O-N 3.4Å; L260-A262 VanDerWaalsContact C-N 3.34Å; L260-A262 PolarHBondContact O-N 2.82Å; L260-T263 VanDerWaalsContact CA-OG1 3.31Å; L260-T263 WeakPolarHBondContact CA-OG1 3.36Å; L260-T263 PolarHBondContact O-N 3.04Å; L260-T263 PolarHBondContact O-OG1 2.98Å; L260-V264 WeakPolarHBondContact O-CG2 3.44Å; L260-V264 PolarHBondContact O-N 3.35Å
261S96.4Very high95.8Very high61 Ų6195.2 Ų95.243%0.42753%0.525SS..Hα-helixtrans-61.8-40.9175.2-177.20000112.2A257 A258 Q259 V264 K265A257-S261 WeakPolarHBondContact O-CB 3.29Å; A257-S261 PolarHBondContact O-N 2.88Å; A258-S261 PolarHBondContact O-N 2.89Å; Q259-S261 VanDerWaalsContact C-N 3.34Å; Q259-S261 PolarHBondContact O-N 3.19Å; S261-V264 PolarHBondContact O-N 3.24Å; S261-K265 WeakPolarHBondContact O-CG 3.42Å; S261-K265 PolarHBondContact O-N 3.39Å
262A96.6Very high95.9Very high53 Ų5391.4 Ų91.444%0.43852%0.518SS..Hα-helixtrans-64.1-43.1174.400000111.8A258 Q259 L260 V264 K265 T266A258-A262 WeakPolarHBondContact O-CB 3.39Å; A258-A262 PolarHBondContact O-N 2.89Å; Q259-A262 PolarHBondContact O-N 3.39Å; L260-A262 VanDerWaalsContact C-N 3.34Å; L260-A262 PolarHBondContact O-N 2.82Å; A262-V264 PolarHBondContact O-N 3.45Å; A262-K265 PolarHBondContact O-N 3.4Å; A262-T266 PolarHBondContact O-N 3.11Å; A262-T266 PolarHBondContact O-OG1 3.48Å; A262-T266 VanDerWaalsContact O-OG1 3.11Å
263T96.5Very high96.1Very high63 Ų6393.1 Ų93.139%0.38752%0.524SS..Hα-helixtrans-64.1-38.6176.254.40000112.6Q259 L260 T266 L267Q259-T263 WeakPolarHBondContact O-CG2 3.32Å; Q259-T263 PolarHBondContact O-N 3.43Å; Q259-T263 PolarHBondContact O-OG1 3.32Å; L260-T263 VanDerWaalsContact CA-OG1 3.31Å; L260-T263 WeakPolarHBondContact CA-OG1 3.36Å; L260-T263 PolarHBondContact O-N 3.04Å; L260-T263 PolarHBondContact O-OG1 2.98Å; T263-T266 PolarHBondContact O-N 3.42Å; T263-L267 WeakPolarHBondContact O-CG 3.35Å; T263-L267 PolarHBondContact O-N 2.72Å
264V96.5Very high96.1Very high75 Ų7593 Ų9346%0.45552%0.523SS..Hα-helixtrans-62.9-46.6176167.90000110.2L260 S261 A262 T266 L267 E268L260-V264 WeakPolarHBondContact O-CG2 3.44Å; L260-V264 PolarHBondContact O-N 3.35Å; S261-V264 PolarHBondContact O-N 3.24Å; A262-V264 PolarHBondContact O-N 3.45Å; V264-T266 VanDerWaalsContact C-N 3.33Å; V264-T266 PolarHBondContact O-N 2.87Å; V264-L267 PolarHBondContact O-N 3.21Å; V264-E268 HydrophobicContact CG1-CG 4.41Å; V264-E268 WeakPolarHBondContact O-CG 3.14Å; V264-E268 PolarHBondContact O-N 3Å
265K97.1Very high96.3Very high128 Ų12893.5 Ų93.556%0.55752%0.517SS*.Hα-helixtrans-60.6-40.6176.5-74.5179.8178.4-178.80112.8S261 A262 E268 M269S261-K265 WeakPolarHBondContact O-CG 3.42Å; S261-K265 PolarHBondContact O-N 3.39Å; A262-K265 PolarHBondContact O-N 3.4Å; K265-E268 PolarHBondContact O-N 3.04Å; K265-M269 WeakPolarHBondContact O-CG 3.35Å; K265-M269 PolarHBondContact O-N 3.34Å
266T97Very high96.3Very high74 Ų7495.7 Ų95.745%0.45452%0.52SS..Hα-helixtrans-62.8-44.6175.5-58.40000111.2A262 T263 V264 E268 M269 E270A262-T266 PolarHBondContact O-N 3.11Å; A262-T266 PolarHBondContact O-OG1 3.48Å; A262-T266 VanDerWaalsContact O-OG1 3.11Å; T263-T266 PolarHBondContact O-N 3.42Å; V264-T266 VanDerWaalsContact C-N 3.33Å; V264-T266 PolarHBondContact O-N 2.87Å; T266-E268 PolarHBondContact O-N 3.42Å; T266-M269 PolarHBondContact O-N 3.29Å; T266-E270 WeakPolarHBondContact O-CG 3.36Å; T266-E270 PolarHBondContact O-N 3.26Å
267L97Very high96.4Very high104 Ų10492.1 Ų92.155%0.54551%0.512SS..Hα-helixtrans-64.7-37.6177.3-71.5171.6000112.5T263 V264 E270 M271T263-L267 WeakPolarHBondContact O-CG 3.35Å; T263-L267 PolarHBondContact O-N 2.72Å; V264-L267 PolarHBondContact O-N 3.21Å; L267-E270 PolarHBondContact O-N 3.44Å; L267-M271 VanDerWaalsContact O-CB 3.29Å; L267-M271 WeakPolarHBondContact O-CB 3.41Å; L267-M271 PolarHBondContact O-N 2.99Å
268E97.4Very high96.4Very high115 Ų11595.5 Ų95.554%0.53751%0.512SS..Hα-helixtrans-62.1-42.4173.3-73170.8167.200111.6V264 K265 T266 M271 A272V264-E268 HydrophobicContact CG1-CG 4.41Å; V264-E268 WeakPolarHBondContact O-CG 3.14Å; V264-E268 PolarHBondContact O-N 3Å; K265-E268 PolarHBondContact O-N 3.04Å; T266-E268 PolarHBondContact O-N 3.42Å; E268-M271 PolarHBondContact O-N 3.24Å; E268-A272 WeakPolarHBondContact O-CB 3.31Å; E268-A272 PolarHBondContact O-N 3.49Å
269M96.6Very high96.5Very high142 Ų14296.5 Ų96.570%0.751%0.509SS*.Hα-helixtrans-65.6-40.8175.7-70.8177.465.700112.4K265 T266 K273K265-M269 WeakPolarHBondContact O-CG 3.35Å; K265-M269 PolarHBondContact O-N 3.34Å; T266-M269 PolarHBondContact O-N 3.29Å; M269-K273 WeakPolarHBondContact O-CB 3.29Å; M269-K273 PolarHBondContact O-N 3.46Å
270E96.7Very high96.5Very high115 Ų11594.9 Ų94.954%0.53750%0.503SS..Hα-helixtrans-65.6-39.8175.1-73.3178.6176.500111.8T266 L267 K273 S274T266-E270 WeakPolarHBondContact O-CG 3.36Å; T266-E270 PolarHBondContact O-N 3.26Å; L267-E270 PolarHBondContact O-N 3.44Å; E270-K273 PolarHBondContact O-N 3.45Å; E270-S274 WeakPolarHBondContact O-CB 3.48Å; E270-S274 PolarHBondContact O-N 3.24Å
271M95.2Very high96.4Very high113 Ų11394.8 Ų94.856%0.55750%0.502SS*.Hα-helixtrans-61.3-50.8174.7-172.5-177.5-5900110.9L267 E268 K273 S274 E275L267-M271 VanDerWaalsContact O-CB 3.29Å; L267-M271 WeakPolarHBondContact O-CB 3.41Å; L267-M271 PolarHBondContact O-N 2.99Å; E268-M271 PolarHBondContact O-N 3.24Å; M271-K273 VanDerWaalsContact C-N 3.3Å; M271-K273 PolarHBondContact O-N 3.01Å; M271-S274 WeakPolarHBondContact O-CB 3.44Å; M271-S274 PolarHBondContact O-N 2.95Å; M271-S274 VanDerWaalsContact O-N 3.12Å; M271-E275 WeakPolarHBondContact O-CG 3.47Å; M271-E275 PolarHBondContact O-N 3.38Å
272A96.8Very high96.4Very high53 Ų5394.5 Ų94.544%0.43850%0.501SS..Hα-helixtrans-60.3-38.6177.500000112.4E268 E275 N276E268-A272 WeakPolarHBondContact O-CB 3.31Å; E268-A272 PolarHBondContact O-N 3.49Å; A272-E275 PolarHBondContact O-N 2.95Å; A272-N276 WeakPolarHBondContact O-CB 3.46Å; A272-N276 PolarHBondContact O-N 3.48Å
273K97.1Very high96.5Very high163 Ų16398 Ų9871%0.70950%0.503SS*.Hα-helixtrans-65.2-43.9174.7-176-179.2177.4-175.50111.7M269 E270 M271 E275 N276 S277M269-K273 WeakPolarHBondContact O-CB 3.29Å; M269-K273 PolarHBondContact O-N 3.46Å; E270-K273 PolarHBondContact O-N 3.45Å; M271-K273 VanDerWaalsContact C-N 3.3Å; M271-K273 PolarHBondContact O-N 3.01Å; K273-E275 VanDerWaalsContact C-N 3.34Å; K273-N276 PolarHBondContact O-N 2.85Å; K273-S277 PolarHBondContact O-N 3.13Å
274S94.9Very high96.5Very high75 Ų7599.6 Ų99.652%0.52451%0.506SS..Hα-helixtrans-64.2-39.5176.7-170.10000111.3E270 M271 S277 R278E270-S274 WeakPolarHBondContact O-CB 3.48Å; E270-S274 PolarHBondContact O-N 3.24Å; M271-S274 WeakPolarHBondContact O-CB 3.44Å; M271-S274 PolarHBondContact O-N 2.95Å; M271-S274 VanDerWaalsContact O-N 3.12Å; S274-S277 WeakPolarHBondContact CA-OG 3.24Å; S274-S277 PolarHBondContact O-N 2.89Å; S274-S277 PolarHBondContact O-OG 3.4Å; S274-R278 WeakPolarHBondContact O-CB 3.49Å; S274-R278 PolarHBondContact O-N 3.05Å
275E96Very high96.4Very high90 Ų90101.5 Ų101.542%0.42151%0.513SS..Hα-helixtrans-62.7-48.7175.1-74.8174169.100111.8M271 A272 K273 S277 R278 D279M271-E275 WeakPolarHBondContact O-CG 3.47Å; M271-E275 PolarHBondContact O-N 3.38Å; A272-E275 PolarHBondContact O-N 2.95Å; K273-E275 VanDerWaalsContact C-N 3.34Å; E275-S277 VanDerWaalsContact C-N 3.27Å; E275-S277 PolarHBondContact O-N 3.44Å; E275-R278 WeakPolarHBondContact O-CB 3.48Å; E275-R278 PolarHBondContact O-N 3.15Å; E275-R278 VanDerWaalsContact O-N 3.09Å; E275-D279 VanDerWaalsContact O-CG 3.31Å; E275-D279 PolarHBondContact O-N 3.38Å
276N96.2Very high96.4Very high106 Ų106101.9 Ų101.957%0.56752%0.517SS*.Hα-helixtrans-59.3-39.7175.4-174.774.5000111.8A272 K273 D279 M280A272-N276 WeakPolarHBondContact O-CB 3.46Å; A272-N276 PolarHBondContact O-N 3.48Å; K273-N276 PolarHBondContact O-N 2.85Å; N276-D279 PolarHBondContact O-N 3.09Å; N276-M280 VanDerWaalsContact O-CG 3.29Å; N276-M280 WeakPolarHBondContact O-CG 3.35Å; N276-M280 PolarHBondContact O-N 3.24Å
277S96.5Very high96.4Very high56 Ų56102.2 Ų102.239%0.39251%0.514SS..Hα-helixtrans-66.1-38.3175.474.80000112.9K273 S274 E275 M280 L281K273-S277 PolarHBondContact O-N 3.13Å; S274-S277 WeakPolarHBondContact CA-OG 3.24Å; S274-S277 PolarHBondContact O-N 2.89Å; S274-S277 PolarHBondContact O-OG 3.4Å; E275-S277 VanDerWaalsContact C-N 3.27Å; E275-S277 PolarHBondContact O-N 3.44Å; S277-M280 PolarHBondContact O-N 3.16Å; S277-L281 WeakPolarHBondContact O-CB 3.48Å; S277-L281 WeakPolarHBondContact O-CG 3.45Å; S277-L281 PolarHBondContact O-N 3.39Å
278R95.5Very high96.3Very high126 Ų126101.8 Ų101.848%0.47551%0.511SS..Hα-helixtrans-64.9-41.3175.6178.4-175.153.660.213110.7S274 E275 L281 S282S274-R278 WeakPolarHBondContact O-CB 3.49Å; S274-R278 PolarHBondContact O-N 3.05Å; E275-R278 WeakPolarHBondContact O-CB 3.48Å; E275-R278 PolarHBondContact O-N 3.15Å; E275-R278 VanDerWaalsContact O-N 3.09Å; R278-L281 PolarHBondContact O-N 3.09Å; R278-S282 VanDerWaalsContact O-CB 3.32Å; R278-S282 WeakPolarHBondContact O-CB 3.39Å; R278-S282 PolarHBondContact O-N 3.4Å; R278-S282 PolarHBondContact O-OG 2.91Å
279D96.9Very high96.2Very high82 Ų82102.9 Ų102.944%0.43952%0.517SS..Hα-helixtrans-68.6-40.6178.8-65.4-23.2000111.4E275 N276 S282 Y283E275-D279 VanDerWaalsContact O-CG 3.31Å; E275-D279 PolarHBondContact O-N 3.38Å; N276-D279 PolarHBondContact O-N 3.09Å; D279-S282 PolarHBondContact O-N 2.84Å; D279-Y283 WeakPolarHBondContact O-CB 3.35Å; D279-Y283 PolarHBondContact O-N 3.36Å
280M96.3Very high96.2Very high98 Ų98102.9 Ų102.948%0.48351%0.513SS..Hα-helixtrans-61.2-46.5172.9-71.5-58.3-54.800112.2N276 S277 S282 Y283 E284N276-M280 VanDerWaalsContact O-CG 3.29Å; N276-M280 WeakPolarHBondContact O-CG 3.35Å; N276-M280 PolarHBondContact O-N 3.24Å; S277-M280 PolarHBondContact O-N 3.16Å; M280-S282 VanDerWaalsContact C-N 3.32Å; M280-S282 PolarHBondContact O-N 3.1Å; M280-Y283 WeakPolarHBondContact O-CB 3.41Å; M280-Y283 PolarHBondContact O-N 3.32Å; M280-E284 WeakPolarHBondContact O-CG 3.42Å; M280-E284 PolarHBondContact O-N 3.45Å
281L95.3Very high96.2Very high98 Ų98102.1 Ų102.151%0.51351%0.509SS..Hα-helixtrans-65.2-35.7176-72172.2000112.2S277 R278 Y283 E284 L285S277-L281 WeakPolarHBondContact O-CB 3.48Å; S277-L281 WeakPolarHBondContact O-CG 3.45Å; S277-L281 PolarHBondContact O-N 3.39Å; R278-L281 PolarHBondContact O-N 3.09Å; L281-Y283 VanDerWaalsContact C-N 3.33Å; L281-E284 PolarHBondContact O-N 3.12Å; L281-L285 WeakPolarHBondContact O-CB 3.5Å; L281-L285 WeakPolarHBondContact O-CG 3.4Å; L281-L285 PolarHBondContact O-N 3.2Å
282S97.3Very high96.2Very high56 Ų56101.9 Ų101.939%0.39251%0.509SS..Hα-helixtrans-65-40.7176.3-58.70000111R278 D279 M280 L285 E286R278-S282 VanDerWaalsContact O-CB 3.32Å; R278-S282 WeakPolarHBondContact O-CB 3.39Å; R278-S282 PolarHBondContact O-N 3.4Å; R278-S282 PolarHBondContact O-OG 2.91Å; D279-S282 PolarHBondContact O-N 2.84Å; M280-S282 VanDerWaalsContact C-N 3.32Å; M280-S282 PolarHBondContact O-N 3.1Å; S282-L285 PolarHBondContact O-N 3.43Å; S282-E286 WeakPolarHBondContact O-CB 3.3Å; S282-E286 PolarHBondContact O-N 3.36Å
283Y96.8Very high96Very high126 Ų126106.1 Ų106.149%0.49451%0.514SS..Hα-helixtrans-64.6-44.2174.1177.8-103.8000112.3D279 M280 L281 L285 E286 Q287D279-Y283 WeakPolarHBondContact O-CB 3.35Å; D279-Y283 PolarHBondContact O-N 3.36Å; M280-Y283 WeakPolarHBondContact O-CB 3.41Å; M280-Y283 PolarHBondContact O-N 3.32Å; L281-Y283 VanDerWaalsContact C-N 3.33Å; Y283-L285 VanDerWaalsContact C-N 3.34Å; Y283-L285 PolarHBondContact O-N 2.78Å; Y283-E286 PolarHBondContact O-N 2.98Å; Y283-Q287 HydrophobicContact CD1-CG 4.44Å; Y283-Q287 VanDerWaalsContact CE1-CD 3.5Å; Y283-Q287 HydrophobicContact CE1-CG 4.12Å; Y283-Q287 HydrophobicContact CE2-CG 4.43Å; Y283-Q287 WeakPolarHBondContact O-CG 3.41Å; Y283-Q287 PolarHBondContact O-N 3.07Å; Y283-Q287 PolarHBondContact OH-NE2 3.25Å
284E97.5Very high95.9Very high96 Ų96101.1 Ų101.145%0.44950%0.495SS..Hα-helixtrans-61.9-40.8175.1-73.4176.5-173.800112M280 L281 Q287 L288M280-E284 WeakPolarHBondContact O-CG 3.42Å; M280-E284 PolarHBondContact O-N 3.45Å; L281-E284 PolarHBondContact O-N 3.12Å; E284-Q287 PolarHBondContact O-N 2.81Å; E284-L288 WeakPolarHBondContact O-CB 3.36Å; E284-L288 WeakPolarHBondContact O-CG 3.31Å; E284-L288 PolarHBondContact O-N 2.83Å
285L93.8Very high95.6Very high115 Ų115105.6 Ų105.660%0.60250%0.502SS*.Hα-helixtrans-63.6-42.3174.3-77171.5000112L281 S282 Y283 L288 Q289L281-L285 WeakPolarHBondContact O-CB 3.5Å; L281-L285 WeakPolarHBondContact O-CG 3.4Å; L281-L285 PolarHBondContact O-N 3.2Å; S282-L285 PolarHBondContact O-N 3.43Å; Y283-L285 VanDerWaalsContact C-N 3.34Å; Y283-L285 PolarHBondContact O-N 2.78Å; L285-L288 PolarHBondContact O-N 3.02Å; L285-Q289 VanDerWaalsContact O-CB 3.24Å; L285-Q289 WeakPolarHBondContact O-CB 3.43Å; L285-Q289 PolarHBondContact O-N 2.88Å
286E97.2Very high95.5Very high136 Ų136107.8 Ų107.864%0.63651%0.512SS*.Hα-helixtrans-64.3-41.1176.4-173.1176-175.600111.5S282 Y283 Q289 K290S282-E286 WeakPolarHBondContact O-CB 3.3Å; S282-E286 PolarHBondContact O-N 3.36Å; Y283-E286 PolarHBondContact O-N 2.98Å; E286-Q289 PolarHBondContact O-N 2.71Å; E286-K290 WeakPolarHBondContact O-CB 3.5Å; E286-K290 PolarHBondContact O-N 3Å
287Q96.5Very high95.2Very high82 Ų82107.4 Ų107.438%0.38351%0.508SS..Hα-helixtrans-62.6-50173.8-75.3-166.4-14.800112.1Y283 E284 Q289 K290 E291Y283-Q287 HydrophobicContact CD1-CG 4.44Å; Y283-Q287 VanDerWaalsContact CE1-CD 3.5Å; Y283-Q287 HydrophobicContact CE1-CG 4.12Å; Y283-Q287 HydrophobicContact CE2-CG 4.43Å; Y283-Q287 WeakPolarHBondContact O-CG 3.41Å; Y283-Q287 PolarHBondContact O-N 3.07Å; Y283-Q287 PolarHBondContact OH-NE2 3.25Å; E284-Q287 PolarHBondContact O-N 2.81Å; Q287-Q289 VanDerWaalsContact C-N 3.28Å; Q287-Q289 PolarHBondContact O-N 3.47Å; Q287-K290 WeakPolarHBondContact O-CB 3.35Å; Q287-K290 PolarHBondContact O-N 3.44Å; Q287-K290 VanDerWaalsContact O-N 3.15Å; Q287-E291 WeakPolarHBondContact O-CG 3.38Å; Q287-E291 PolarHBondContact O-N 2.82Å
288L95.6Very high95Very high94 Ų94112.2 Ų112.249%0.49252%0.518SS..Hα-helixtrans-61.2-38.5177.8-78.2169.9000111.8E284 L285 E291 L292E284-L288 WeakPolarHBondContact O-CB 3.36Å; E284-L288 WeakPolarHBondContact O-CG 3.31Å; E284-L288 PolarHBondContact O-N 2.83Å; L285-L288 PolarHBondContact O-N 3.02Å; L288-E291 PolarHBondContact O-N 2.97Å; L288-L292 WeakPolarHBondContact O-CB 3.49Å; L288-L292 WeakPolarHBondContact O-CG 3.41Å; L288-L292 PolarHBondContact O-N 3.12Å
289Q96.5Very high94.6Very high139 Ų139108.2 Ų108.265%0.6552%0.515SS*.Hα-helixtrans-64.3-41.3175.3-175.8175.2-6.100111.5L285 E286 Q287 L292 W293L285-Q289 VanDerWaalsContact O-CB 3.24Å; L285-Q289 WeakPolarHBondContact O-CB 3.43Å; L285-Q289 PolarHBondContact O-N 2.88Å; E286-Q289 PolarHBondContact O-N 2.71Å; Q287-Q289 VanDerWaalsContact C-N 3.28Å; Q287-Q289 PolarHBondContact O-N 3.47Å; Q289-L292 PolarHBondContact O-N 2.87Å; Q289-W293 WeakPolarHBondContact O-CB 3.29Å; Q289-W293 PolarHBondContact O-N 3.37Å
290K96.7Very high94.2Very high142 Ų142107 Ų10762%0.61752%0.517SS*.Hα-helixtrans-65.8-43.7175.2-175.3177.3-179.8178.20112E286 Q287 W293 D294E286-K290 WeakPolarHBondContact O-CB 3.5Å; E286-K290 PolarHBondContact O-N 3Å; Q287-K290 WeakPolarHBondContact O-CB 3.35Å; Q287-K290 PolarHBondContact O-N 3.44Å; Q287-K290 VanDerWaalsContact O-N 3.15Å; K290-W293 PolarHBondContact O-N 2.84Å; K290-D294 PolarHBondContact O-N 3.49Å
291E96.5Very high93.9Very high98 Ų98105.2 Ų105.246%0.45851%0.514SS..Hα-helixtrans-62-44.3175.5-72.9-176.9177.600111.4Q287 L288 W293 D294 Y295Q287-E291 WeakPolarHBondContact O-CG 3.38Å; Q287-E291 PolarHBondContact O-N 2.82Å; L288-E291 PolarHBondContact O-N 2.97Å; E291-W293 VanDerWaalsContact C-N 3.31Å; E291-W293 PolarHBondContact O-N 3.22Å; E291-D294 PolarHBondContact O-N 3.34Å; E291-Y295 HydrophobicContact CB-CD2 4.49Å; E291-Y295 WeakPolarHBondContact O-CB 3.18Å; E291-Y295 WeakPolarHBondContact O-CD2 3.48Å; E291-Y295 PolarHBondContact O-N 2.85Å
292L93.6Very high93.7Very high108 Ų108107.1 Ų107.157%0.56552%0.518SS*.Hα-helixtrans-58.9-42.6174.4-80172.3000111.8L288 Q289 Y295 Q296L288-L292 WeakPolarHBondContact O-CB 3.49Å; L288-L292 WeakPolarHBondContact O-CG 3.41Å; L288-L292 PolarHBondContact O-N 3.12Å; Q289-L292 PolarHBondContact O-N 2.87Å; L292-Y295 PolarHBondContact O-N 3.33Å; L292-Q296 WeakPolarHBondContact O-CB 3.48Å; L292-Q296 VanDerWaalsContact O-CG 3.27Å; L292-Q296 WeakPolarHBondContact O-CG 3.32Å; L292-Q296 PolarHBondContact O-N 3.47Å
293W94.3Very high93.3Very high143 Ų143108 Ų10854%0.54252%0.524SS..Hα-helixtrans-63.5-45.2175.5-171.985.2000111.6Q289 K290 E291 Y295 Q296 M297Q289-W293 WeakPolarHBondContact O-CB 3.29Å; Q289-W293 PolarHBondContact O-N 3.37Å; K290-W293 PolarHBondContact O-N 2.84Å; E291-W293 VanDerWaalsContact C-N 3.31Å; E291-W293 PolarHBondContact O-N 3.22Å; W293-Y295 PolarHBondContact O-N 2.97Å; W293-Q296 PolarHBondContact O-N 3.27Å; W293-M297 HydrophobicContact CD2-CG 3.85Å; W293-M297 HydrophobicContact CE3-CG 3.98Å; W293-M297 HydrophobicContact CH2-CE 4.01Å; W293-M297 HydrophobicContact CH2-CG 3.89Å; W293-M297 HydrophobicContact CZ2-CE 3.8Å; W293-M297 HydrophobicContact CZ2-CG 3.73Å; W293-M297 HydrophobicContact CZ2-SD 4.04Å; W293-M297 HydrophobicContact CZ3-CG 4Å; W293-M297 WeakPolarHBondContact O-CB 3.33Å; W293-M297 VanDerWaalsContact O-CG 3.28Å; W293-M297 WeakPolarHBondContact O-CG 3.32Å; W293-M297 PolarHBondContact O-N 3.3Å
294D93.6Very high93.1Very high58 Ų58106.7 Ų106.731%0.3152%0.523SS..Hα-helixtrans-62.1-40.5176.1-77-18.1000112K290 E291 R298K290-D294 PolarHBondContact O-N 3.49Å; E291-D294 PolarHBondContact O-N 3.34Å; D294-R298 VanDerWaalsContact O-CB 3.29Å; D294-R298 WeakPolarHBondContact O-CB 3.24Å; D294-R298 WeakPolarHBondContact O-CD 3.48Å; D294-R298 WeakPolarHBondContact O-CG 3.41Å; D294-R298 PolarHBondContact O-N 3.37Å
295Y90.2Very high92.8Very high169 Ų169106 Ų10666%0.66352%0.522SS*.Hα-helixtrans-65.2-42.5174.5-83.4-66.3000112.1E291 L292 W293 R298 G299E291-Y295 HydrophobicContact CB-CD2 4.49Å; E291-Y295 WeakPolarHBondContact O-CB 3.18Å; E291-Y295 WeakPolarHBondContact O-CD2 3.48Å; E291-Y295 PolarHBondContact O-N 2.85Å; L292-Y295 PolarHBondContact O-N 3.33Å; W293-Y295 PolarHBondContact O-N 2.97Å; Y295-R298 PolarHBondContact O-N 2.97Å; Y295-G299 PolarHBondContact O-N 3.08Å
296Q92.8Very high92.7Very high135 Ų135107 Ų10763%0.63152%0.523SS*.Hα-helixtrans-63.1-46.3175.7-76.9176.6-8.500111.3L292 W293 G299 A300L292-Q296 WeakPolarHBondContact O-CB 3.48Å; L292-Q296 VanDerWaalsContact O-CG 3.27Å; L292-Q296 WeakPolarHBondContact O-CG 3.32Å; L292-Q296 PolarHBondContact O-N 3.47Å; W293-Q296 PolarHBondContact O-N 3.27Å; Q296-G299 PolarHBondContact O-N 2.77Å; Q296-A300 WeakPolarHBondContact O-CB 3.46Å; Q296-A300 PolarHBondContact O-N 3.18Å
297M89.6Confident92.5Very high99 Ų99103.1 Ų103.149%0.48851%0.512SS..Hα-helixtrans-65.5-39.6178.4-68.1-62.4-85.500111.9W293 S301W293-M297 HydrophobicContact CD2-CG 3.85Å; W293-M297 HydrophobicContact CE3-CG 3.98Å; W293-M297 HydrophobicContact CH2-CE 4.01Å; W293-M297 HydrophobicContact CH2-CG 3.89Å; W293-M297 HydrophobicContact CZ2-CE 3.8Å; W293-M297 HydrophobicContact CZ2-CG 3.73Å; W293-M297 HydrophobicContact CZ2-SD 4.04Å; W293-M297 HydrophobicContact CZ3-CG 4Å; W293-M297 WeakPolarHBondContact O-CB 3.33Å; W293-M297 VanDerWaalsContact O-CG 3.28Å; W293-M297 WeakPolarHBondContact O-CG 3.32Å; W293-M297 PolarHBondContact O-N 3.3Å; M297-S301 VanDerWaalsContact O-CB 3.23Å; M297-S301 WeakPolarHBondContact O-CB 3.43Å; M297-S301 PolarHBondContact O-N 3.41Å
298R92Very high92.4Very high157 Ų157106 Ų10659%0.59252%0.519SS*.Hα-helixtrans-65.9-38.7173.1-73.6171.2-173.4-150.23.4112.3D294 Y295 K302D294-R298 VanDerWaalsContact O-CB 3.29Å; D294-R298 WeakPolarHBondContact O-CB 3.24Å; D294-R298 WeakPolarHBondContact O-CD 3.48Å; D294-R298 WeakPolarHBondContact O-CG 3.41Å; D294-R298 PolarHBondContact O-N 3.37Å; Y295-R298 PolarHBondContact O-N 2.97Å; R298-K302 WeakPolarHBondContact O-CB 3.48Å; R298-K302 WeakPolarHBondContact O-CG 3.38Å; R298-K302 PolarHBondContact O-N 2.88Å
299G86.8Confident92.4Very high41 Ų41108.6 Ų108.642%0.42353%0.526SS..Hα-helixtrans-64.2-48.5175.500000111.7Y295 Q296 K302 S303Y295-G299 PolarHBondContact O-N 3.08Å; Q296-G299 PolarHBondContact O-N 2.77Å; G299-K302 PolarHBondContact O-N 2.88Å; G299-S303 WeakPolarHBondContact O-CB 3.37Å; G299-S303 PolarHBondContact O-N 2.92Å
300A88.6Confident92.2Very high58 Ų58104.1 Ų104.148%0.47951%0.513SS..Hα-helixtrans-61-48176.600000111.7Q296 K302 S303 E304Q296-A300 WeakPolarHBondContact O-CB 3.46Å; Q296-A300 PolarHBondContact O-N 3.18Å; A300-K302 PolarHBondContact O-N 3.02Å; A300-S303 PolarHBondContact O-N 2.94Å; A300-E304 WeakPolarHBondContact O-CB 3.39Å; A300-E304 PolarHBondContact O-N 3.28Å
301S90.5Very high92.2Very high60 Ų60103.2 Ų103.242%0.4251%0.509SS..Hα-helixtrans-60.7-45.6177.4165.10000112.3M297 S303 E304 D305M297-S301 VanDerWaalsContact O-CB 3.23Å; M297-S301 WeakPolarHBondContact O-CB 3.43Å; M297-S301 PolarHBondContact O-N 3.41Å; S301-S303 VanDerWaalsContact C-N 3.33Å; S301-S303 PolarHBondContact O-N 3.32Å; S301-E304 PolarHBondContact O-N 2.72Å; S301-D305 WeakPolarHBondContact O-CB 3.42Å; S301-D305 PolarHBondContact O-N 3.37Å
302K91.1Very high92.1Very high137 Ų137103.7 Ų103.760%0.59652%0.515SS*.Hα-helixtrans-63-40176.3-75174.5-178.7-177.40112.3R298 G299 A300 Q306R298-K302 WeakPolarHBondContact O-CB 3.48Å; R298-K302 WeakPolarHBondContact O-CG 3.38Å; R298-K302 PolarHBondContact O-N 2.88Å; G299-K302 PolarHBondContact O-N 2.88Å; A300-K302 PolarHBondContact O-N 3.02Å; K302-Q306 WeakPolarHBondContact O-CB 3.38Å; K302-Q306 VanDerWaalsContact O-CG 3.24Å; K302-Q306 WeakPolarHBondContact O-CG 3.26Å; K302-Q306 PolarHBondContact O-N 3.09Å
303S89.8Confident92.3Very high74 Ų74104.3 Ų104.352%0.51752%0.515SS..Hα-helixtrans-66.9-39.1176.8-177.50000111.5G299 A300 S301 Q306 S307G299-S303 WeakPolarHBondContact O-CB 3.37Å; G299-S303 PolarHBondContact O-N 2.92Å; A300-S303 PolarHBondContact O-N 2.94Å; S301-S303 VanDerWaalsContact C-N 3.33Å; S301-S303 PolarHBondContact O-N 3.32Å; S303-Q306 PolarHBondContact O-N 3.34Å; S303-S307 WeakPolarHBondContact O-CB 3.47Å; S303-S307 PolarHBondContact O-N 3Å
304E92.3Very high92.3Very high100 Ų100101.4 Ų101.447%0.46751%0.509SS..Hα-helixtrans-64.7-46.3175.1-168.6-176.6164.100111.4A300 S301 Q306 S307 R308A300-E304 WeakPolarHBondContact O-CB 3.39Å; A300-E304 PolarHBondContact O-N 3.28Å; S301-E304 PolarHBondContact O-N 2.72Å; E304-Q306 VanDerWaalsContact C-N 3.33Å; E304-Q306 PolarHBondContact O-N 3.04Å; E304-S307 PolarHBondContact O-N 2.93Å; E304-R308 WeakPolarHBondContact O-CG 3.39Å; E304-R308 PolarHBondContact O-N 3.47Å; E304-R308 IonicContact OE1-CZ 2.85Å; E304-R308 IonicContact OE1-NE 3.94Å; E304-R308 PolarHBondContact OE1-NE 3.49Å; E304-R308 VanDerWaalsContact OE1-NE 3.12Å; E304-R308 IonicContact OE1-NH2 3.38Å; E304-R308 PolarHBondContact OE1-NH2 2.89Å
305D91.1Very high92.4Very high81 Ų81102.6 Ų102.643%0.43352%0.515SS..Hα-helixtrans-61.4-40.7176.3-74.1-21.2000112S301 R308 K309S301-D305 WeakPolarHBondContact O-CB 3.42Å; S301-D305 PolarHBondContact O-N 3.37Å; D305-R308 PolarHBondContact O-N 2.87Å; D305-K309 WeakPolarHBondContact O-CB 3.41Å; D305-K309 VanDerWaalsContact O-CG 3.28Å; D305-K309 WeakPolarHBondContact O-CG 3.4Å; D305-K309 PolarHBondContact O-N 2.83Å
306Q92.1Very high92.7Very high135 Ų13599.5 Ų99.563%0.63151%0.507SS*.Hα-helixtrans-65.4-41.2174.3-75.3175.8500111.7K302 S303 E304 K309 A310K302-Q306 WeakPolarHBondContact O-CB 3.38Å; K302-Q306 VanDerWaalsContact O-CG 3.24Å; K302-Q306 WeakPolarHBondContact O-CG 3.26Å; K302-Q306 PolarHBondContact O-N 3.09Å; S303-Q306 PolarHBondContact O-N 3.34Å; E304-Q306 VanDerWaalsContact C-N 3.33Å; E304-Q306 PolarHBondContact O-N 3.04Å; Q306-K309 PolarHBondContact O-N 3.49Å; Q306-A310 WeakPolarHBondContact O-CB 3.24Å; Q306-A310 PolarHBondContact O-N 2.94Å
307S93.2Very high92.8Very high56 Ų5697.8 Ų97.839%0.39250%0.502SS..Hα-helixtrans-65.2-39.6176.3-172.70000111.9S303 E304 K311S303-S307 WeakPolarHBondContact O-CB 3.47Å; S303-S307 PolarHBondContact O-N 3Å; E304-S307 PolarHBondContact O-N 2.93Å; S307-K311 WeakPolarHBondContact O-CB 3.32Å; S307-K311 VanDerWaalsContact O-CG 3.28Å; S307-K311 WeakPolarHBondContact O-CG 3.32Å; S307-K311 PolarHBondContact O-N 3.41Å
308R93.6Very high93.1Very high142 Ų142100.7 Ų100.754%0.53651%0.507SS..Hα-helixtrans-62.8-50.7173.6-72.9174.2-179.1-118.35.9111.1E304 D305 A310 K311 D312E304-R308 WeakPolarHBondContact O-CG 3.39Å; E304-R308 PolarHBondContact O-N 3.47Å; E304-R308 IonicContact OE1-CZ 2.85Å; E304-R308 IonicContact OE1-NE 3.94Å; E304-R308 PolarHBondContact OE1-NE 3.49Å; E304-R308 VanDerWaalsContact OE1-NE 3.12Å; E304-R308 IonicContact OE1-NH2 3.38Å; E304-R308 PolarHBondContact OE1-NH2 2.89Å; D305-R308 PolarHBondContact O-N 2.87Å; R308-A310 VanDerWaalsContact C-N 3.35Å; R308-A310 PolarHBondContact O-N 3Å; R308-K311 WeakPolarHBondContact O-CB 3.45Å; R308-K311 PolarHBondContact O-N 3.06Å; R308-K311 VanDerWaalsContact O-N 3.09Å; R308-D312 VanDerWaalsContact O-CG 3.25Å; R308-D312 PolarHBondContact O-N 2.82Å
309K95.3Very high93.3Very high148 Ų14895.8 Ų95.864%0.64350%0.5SS*.Hα-helixtrans-58.6-43.3176.9-73.5175.1-178-178.30113.1D305 Q306 K311 D312 E313D305-K309 WeakPolarHBondContact O-CB 3.41Å; D305-K309 VanDerWaalsContact O-CG 3.28Å; D305-K309 WeakPolarHBondContact O-CG 3.4Å; D305-K309 PolarHBondContact O-N 2.83Å; Q306-K309 PolarHBondContact O-N 3.49Å; K309-K311 VanDerWaalsContact C-N 3.32Å; K309-K311 PolarHBondContact O-N 3.33Å; K309-D312 PolarHBondContact O-N 3.3Å; K309-E313 WeakPolarHBondContact O-CB 3.36Å; K309-E313 PolarHBondContact O-N 3.29Å
310A93.2Very high93.7Very high45 Ų4599.1 Ų99.137%0.37250%0.503SS..Hα-helixtrans-65.4-35.917700000112Q306 R308 I314Q306-A310 WeakPolarHBondContact O-CB 3.24Å; Q306-A310 PolarHBondContact O-N 2.94Å; R308-A310 VanDerWaalsContact C-N 3.35Å; R308-A310 PolarHBondContact O-N 3Å; A310-I314 WeakPolarHBondContact O-CB 3.26Å; A310-I314 WeakPolarHBondContact O-CD1 3.41Å; A310-I314 WeakPolarHBondContact O-CG1 3.4Å; A310-I314 PolarHBondContact O-N 2.86Å
311K95.6Very high94Very high124 Ų12498.7 Ų98.754%0.53950%0.5SS..Hα-helixtrans-65.1-47.3172.5-76.2172.2-177.91760111.4S307 R308 K309 E313 I314 D315S307-K311 WeakPolarHBondContact O-CB 3.32Å; S307-K311 VanDerWaalsContact O-CG 3.28Å; S307-K311 WeakPolarHBondContact O-CG 3.32Å; S307-K311 PolarHBondContact O-N 3.41Å; R308-K311 WeakPolarHBondContact O-CB 3.45Å; R308-K311 PolarHBondContact O-N 3.06Å; R308-K311 VanDerWaalsContact O-N 3.09Å; K309-K311 VanDerWaalsContact C-N 3.32Å; K309-K311 PolarHBondContact O-N 3.33Å; K311-E313 VanDerWaalsContact C-N 3.29Å; K311-E313 PolarHBondContact O-N 2.82Å; K311-I314 PolarHBondContact O-N 3.42Å; K311-I314 VanDerWaalsContact O-N 3.17Å; K311-D315 PolarHBondContact O-N 2.89Å
312D95.2Very high94.2Very high108 Ų10898.3 Ų98.358%0.57850%0.5SS*.Hα-helixtrans-59.1-42178.1-61.8-24000111.1R308 K309 D315 E316R308-D312 VanDerWaalsContact O-CG 3.25Å; R308-D312 PolarHBondContact O-N 2.82Å; K309-D312 PolarHBondContact O-N 3.3Å; D312-D315 PolarHBondContact O-N 2.95Å; D312-E316 PolarHBondContact O-N 2.66Å
313E96.6Very high94.4Very high121 Ų12196.9 Ų96.957%0.56550%0.499SS*.Hα-helixtrans-65.7-41.8175.7-174176.3-174.700112.2K309 K311 D315 E316 L317K309-E313 WeakPolarHBondContact O-CB 3.36Å; K309-E313 PolarHBondContact O-N 3.29Å; K311-E313 VanDerWaalsContact C-N 3.29Å; K311-E313 PolarHBondContact O-N 2.82Å; E313-D315 VanDerWaalsContact C-N 3.3Å; E313-D315 PolarHBondContact O-N 3.42Å; E313-E316 PolarHBondContact O-N 2.85Å; E313-L317 HydrophobicContact CG-CD1 4.46Å; E313-L317 WeakPolarHBondContact O-CB 3.39Å; E313-L317 VanDerWaalsContact O-CG 3.29Å; E313-L317 WeakPolarHBondContact O-CG 3.43Å; E313-L317 PolarHBondContact O-N 2.9Å
314I95.2Very high94.7Very high82 Ų8296 Ų9642%0.42150%0.496SS..Hα-helixtrans-60.8-41.4174.1-74.3166.7000110.7A310 K311 L317 R318A310-I314 WeakPolarHBondContact O-CB 3.26Å; A310-I314 WeakPolarHBondContact O-CD1 3.41Å; A310-I314 WeakPolarHBondContact O-CG1 3.4Å; A310-I314 PolarHBondContact O-N 2.86Å; K311-I314 PolarHBondContact O-N 3.42Å; K311-I314 VanDerWaalsContact O-N 3.17Å; I314-L317 PolarHBondContact O-N 3.46Å; I314-R318 HydrophobicContact CG2-CG 4.47Å; I314-R318 WeakPolarHBondContact O-CB 3.28Å; I314-R318 VanDerWaalsContact O-CG 3.24Å; I314-R318 WeakPolarHBondContact O-CG 3.28Å; I314-R318 PolarHBondContact O-N 3.47Å
315D96.6Very high94.9Very high82 Ų8296.8 Ų96.844%0.43950%0.503SS..Hα-helixtrans-71.6-35.9-180-70.2-23.9000111.9K311 D312 E313 R318 A319K311-D315 PolarHBondContact O-N 2.89Å; D312-D315 PolarHBondContact O-N 2.95Å; E313-D315 VanDerWaalsContact C-N 3.3Å; E313-D315 PolarHBondContact O-N 3.42Å; D315-R318 PolarHBondContact O-N 3.3Å; D315-R318 IonicContact OD1-CZ 2.81Å; D315-R318 IonicContact OD1-NH1 2.74Å; D315-R318 PolarHBondContact OD1-NH1 3.47Å; D315-A319 PolarHBondContact O-N 2.97Å
316E96Very high95.1Very high104 Ų10496.1 Ų96.149%0.48650%0.502SS..Hα-helixtrans-62.5-43.6170.2-170.3-173.8158.500111.7D312 E313 R318 A319 K320D312-E316 PolarHBondContact O-N 2.66Å; E313-E316 PolarHBondContact O-N 2.85Å; E316-R318 VanDerWaalsContact C-N 3.33Å; E316-R318 PolarHBondContact O-N 2.98Å; E316-A319 PolarHBondContact O-N 3.41Å; E316-K320 WeakPolarHBondContact O-CG 3.44Å; E316-K320 PolarHBondContact O-N 3.46Å; E316-K320 WeakPolarHBondContact OE1-CE 3.27Å; E316-K320 IonicContact OE1-NZ 3.12Å; E316-K320 PolarHBondContact OE1-NZ 2.97Å
317L94.7Very high95.3Very high99 Ų9994.6 Ų94.652%0.51850%0.498SS..Hα-helixtrans-65.3-36.7176.2-70.6176.1000112.1E313 I314 K320 A321E313-L317 HydrophobicContact CG-CD1 4.46Å; E313-L317 WeakPolarHBondContact O-CB 3.39Å; E313-L317 VanDerWaalsContact O-CG 3.29Å; E313-L317 WeakPolarHBondContact O-CG 3.43Å; E313-L317 PolarHBondContact O-N 2.9Å; I314-L317 PolarHBondContact O-N 3.46Å; L317-K320 PolarHBondContact O-N 3.39Å; L317-A321 WeakPolarHBondContact O-CB 3.4Å; L317-A321 PolarHBondContact O-N 2.82Å
318R96Very high95.4Very high161 Ų16195.2 Ų95.261%0.60850%0.503SS*.Hα-helixtrans-65-42.2173.8-76.1167.9176170.6-3.7112I314 D315 E316 A321 A322I314-R318 HydrophobicContact CG2-CG 4.47Å; I314-R318 WeakPolarHBondContact O-CB 3.28Å; I314-R318 VanDerWaalsContact O-CG 3.24Å; I314-R318 WeakPolarHBondContact O-CG 3.28Å; I314-R318 PolarHBondContact O-N 3.47Å; D315-R318 PolarHBondContact O-N 3.3Å; D315-R318 IonicContact OD1-CZ 2.81Å; D315-R318 IonicContact OD1-NH1 2.74Å; D315-R318 PolarHBondContact OD1-NH1 3.47Å; E316-R318 VanDerWaalsContact C-N 3.33Å; E316-R318 PolarHBondContact O-N 2.98Å; R318-A321 PolarHBondContact O-N 2.81Å; R318-A322 PolarHBondContact O-N 3.39Å
319A95.2Very high95.4Very high53 Ų5394.9 Ų94.944%0.43851%0.507SS..Hα-helixtrans-61.2-46.2174.700000111.1D315 E316 A321 A322 D323D315-A319 PolarHBondContact O-N 2.97Å; E316-A319 PolarHBondContact O-N 3.41Å; A319-A321 VanDerWaalsContact C-N 3.32Å; A319-A321 PolarHBondContact O-N 2.78Å; A319-A322 PolarHBondContact O-N 2.94Å; A319-D323 PolarHBondContact O-N 2.88Å
320K95.7Very high95.5Very high111 Ų11193.2 Ų93.248%0.48350%0.502SS..Hα-helixtrans-62.3-36.9175.6-72.1175-175166.70113.1E316 L317 D323 A324E316-K320 WeakPolarHBondContact O-CG 3.44Å; E316-K320 PolarHBondContact O-N 3.46Å; E316-K320 WeakPolarHBondContact OE1-CE 3.27Å; E316-K320 IonicContact OE1-NZ 3.12Å; E316-K320 PolarHBondContact OE1-NZ 2.97Å; L317-K320 PolarHBondContact O-N 3.39Å; K320-D323 PolarHBondContact O-N 3.41Å; K320-A324 WeakPolarHBondContact O-CB 3.46Å; K320-A324 PolarHBondContact O-N 2.94Å
321A95.1Very high95.6Very high50 Ų5094.2 Ų94.241%0.41350%0.503SS..Hα-helixtrans-65.5-43.8175.500000111.4L317 R318 A319 D323 A324 D325L317-A321 WeakPolarHBondContact O-CB 3.4Å; L317-A321 PolarHBondContact O-N 2.82Å; R318-A321 PolarHBondContact O-N 2.81Å; A319-A321 VanDerWaalsContact C-N 3.32Å; A319-A321 PolarHBondContact O-N 2.78Å; A321-D323 PolarHBondContact O-N 2.93Å; A321-A324 WeakPolarHBondContact O-CB 3.49Å; A321-A324 PolarHBondContact O-N 2.82Å; A321-D325 PolarHBondContact O-N 3.4Å
322A94.7Very high95.7Very high51 Ų5192.6 Ų92.642%0.42150%0.503SS..Hα-helixtrans-61.6-42.7174.800000111.8R318 A319 A324 D325 T326R318-A322 PolarHBondContact O-N 3.39Å; A319-A322 PolarHBondContact O-N 2.94Å; A322-A324 VanDerWaalsContact C-N 3.33Å; A322-A324 PolarHBondContact O-N 3.3Å; A322-D325 PolarHBondContact O-N 3.44Å; A322-T326 WeakPolarHBondContact O-CG2 3.09Å; A322-T326 PolarHBondContact O-N 3.27Å
323D95.9Very high95.7Very high108 Ų10890.5 Ų90.558%0.57849%0.494SS*.Hα-helixtrans-61.4-41.6174.7-71.2-16.9000111.5A319 K320 A321 D325 T326 L327A319-D323 PolarHBondContact O-N 2.88Å; K320-D323 PolarHBondContact O-N 3.41Å; A321-D323 PolarHBondContact O-N 2.93Å; D323-D325 VanDerWaalsContact C-N 3.34Å; D323-D325 PolarHBondContact O-N 2.95Å; D323-T326 PolarHBondContact O-N 2.86Å; D323-T326 PolarHBondContact O-OG1 3.48Å; D323-L327 PolarHBondContact O-N 2.89Å
324A95.8Very high95.6Very high56 Ų5690 Ų9046%0.46350%0.495SS..Hα-helixtrans-63.5-37.9175.600000112.6K320 A321 A322 L327 S328K320-A324 WeakPolarHBondContact O-CB 3.46Å; K320-A324 PolarHBondContact O-N 2.94Å; A321-A324 WeakPolarHBondContact O-CB 3.49Å; A321-A324 PolarHBondContact O-N 2.82Å; A322-A324 VanDerWaalsContact C-N 3.33Å; A322-A324 PolarHBondContact O-N 3.3Å; A324-L327 PolarHBondContact O-N 2.95Å; A324-S328 WeakPolarHBondContact O-CB 3.15Å; A324-S328 PolarHBondContact O-N 2.9Å
325D95.7Very high95.7Very high115 Ų11592.2 Ų92.262%0.61550%0.501SS*.Hα-helixtrans-65.5-43.2175.1-72.9-23.1000111.4A321 A322 D323 L327 S328 E329A321-D325 PolarHBondContact O-N 3.4Å; A322-D325 PolarHBondContact O-N 3.44Å; D323-D325 VanDerWaalsContact C-N 3.34Å; D323-D325 PolarHBondContact O-N 2.95Å; D325-L327 VanDerWaalsContact C-N 3.33Å; D325-L327 PolarHBondContact O-N 2.88Å; D325-S328 WeakPolarHBondContact O-CB 3.37Å; D325-S328 PolarHBondContact O-N 2.86Å; D325-E329 PolarHBondContact O-N 3.35Å
326T96Very high95.7Very high67 Ų6795.2 Ų95.241%0.41151%0.511SS..Hα-helixtrans-63.5-39.3174.966.40000112A322 D323 S328 E329 Q330A322-T326 WeakPolarHBondContact O-CG2 3.09Å; A322-T326 PolarHBondContact O-N 3.27Å; D323-T326 PolarHBondContact O-N 2.86Å; D323-T326 PolarHBondContact O-OG1 3.48Å; T326-S328 VanDerWaalsContact C-N 3.34Å; T326-E329 PolarHBondContact O-N 3.44Å; T326-Q330 VanDerWaalsContact O-CG 3.28Å; T326-Q330 WeakPolarHBondContact O-CG 3.29Å; T326-Q330 PolarHBondContact O-N 2.78Å
327L95.7Very high95.7Very high103 Ų10396.5 Ų96.554%0.53952%0.515SS..Hα-helixtrans-66.6-38.7175.6-171.167.2000111.1D323 A324 D325 Q330 V331D323-L327 PolarHBondContact O-N 2.89Å; A324-L327 PolarHBondContact O-N 2.95Å; D325-L327 VanDerWaalsContact C-N 3.33Å; D325-L327 PolarHBondContact O-N 2.88Å; L327-Q330 PolarHBondContact O-N 3.18Å; L327-V331 VanDerWaalsContact O-CG2 3.32Å; L327-V331 WeakPolarHBondContact O-CG2 3.49Å; L327-V331 PolarHBondContact O-N 3.33Å
328S95.1Very high95.8Very high70 Ų7097.6 Ų97.649%0.4952%0.521SS..Hα-helixtrans-60.8-45.2174.1-171.80000111.5A324 D325 T326 Q330 V331 V332A324-S328 WeakPolarHBondContact O-CB 3.15Å; A324-S328 PolarHBondContact O-N 2.9Å; D325-S328 WeakPolarHBondContact O-CB 3.37Å; D325-S328 PolarHBondContact O-N 2.86Å; T326-S328 VanDerWaalsContact C-N 3.34Å; S328-Q330 PolarHBondContact O-N 3.01Å; S328-V331 PolarHBondContact O-N 2.83Å; S328-V332 WeakPolarHBondContact O-CG2 3.47Å; S328-V332 PolarHBondContact O-N 2.89Å
329E95.1Very high95.9Very high135 Ų13596.1 Ų96.163%0.63152%0.521SS*.Hα-helixtrans-63-40.8175-173.5179.2-170.500112.3D325 T326 V331 V332 T333D325-E329 PolarHBondContact O-N 3.35Å; T326-E329 PolarHBondContact O-N 3.44Å; E329-V331 VanDerWaalsContact C-N 3.34Å; E329-V331 PolarHBondContact O-N 2.91Å; E329-V332 PolarHBondContact O-N 3.44Å; E329-T333 WeakPolarHBondContact O-CB 3.48Å; E329-T333 PolarHBondContact O-N 3.47Å; E329-T333 PolarHBondContact O-OG1 2.9Å
330Q96.1Very high95.9Very high113 Ų11397.1 Ų97.153%0.52852%0.521SS..Hα-helixtrans-61.8-41.6173.5-72.8174.115.400111.6T326 L327 S328 T333 L334T326-Q330 VanDerWaalsContact O-CG 3.28Å; T326-Q330 WeakPolarHBondContact O-CG 3.29Å; T326-Q330 PolarHBondContact O-N 2.78Å; L327-Q330 PolarHBondContact O-N 3.18Å; S328-Q330 PolarHBondContact O-N 3.01Å; Q330-T333 WeakPolarHBondContact O-CB 3.4Å; Q330-T333 PolarHBondContact O-N 3.23Å; Q330-L334 WeakPolarHBondContact O-CB 3.41Å; Q330-L334 WeakPolarHBondContact O-CG 3.23Å; Q330-L334 PolarHBondContact O-N 3.48Å
331V95.8Very high95.9Very high66 Ų6694.8 Ų94.840%0.452%0.516SS..Hα-helixtrans-63.5-42.2175.6168.60000111.2L327 S328 E329 T333 L334 K335L327-V331 VanDerWaalsContact O-CG2 3.32Å; L327-V331 WeakPolarHBondContact O-CG2 3.49Å; L327-V331 PolarHBondContact O-N 3.33Å; S328-V331 PolarHBondContact O-N 2.83Å; E329-V331 VanDerWaalsContact C-N 3.34Å; E329-V331 PolarHBondContact O-N 2.91Å; V331-T333 VanDerWaalsContact C-N 3.32Å; V331-T333 PolarHBondContact O-N 3.25Å; V331-L334 PolarHBondContact O-N 2.87Å; V331-K335 HydrophobicContact CG1-CD 4.27Å; V331-K335 HydrophobicContact CG1-CG 4.49Å; V331-K335 WeakPolarHBondContact O-CB 3.34Å; V331-K335 WeakPolarHBondContact O-CG 3.3Å; V331-K335 PolarHBondContact O-N 2.89Å
332V96.9Very high96Very high90 Ų9094.1 Ų94.155%0.54551%0.514SS..Hα-helixtrans-60.9-43.4174.1172.20000110.7S328 E329 L334 K335 K336S328-V332 WeakPolarHBondContact O-CG2 3.47Å; S328-V332 PolarHBondContact O-N 2.89Å; E329-V332 PolarHBondContact O-N 3.44Å; V332-L334 PolarHBondContact O-N 3.15Å; V332-K335 PolarHBondContact O-N 3.37Å; V332-K336 PolarHBondContact O-N 2.86Å
333T95.9Very high96Very high64 Ų6497 Ų9739%0.39352%0.522SS..Hα-helixtrans-63.1-42.3176.9-59.30000112E329 Q330 V331 K336 K337E329-T333 WeakPolarHBondContact O-CB 3.48Å; E329-T333 PolarHBondContact O-N 3.47Å; E329-T333 PolarHBondContact O-OG1 2.9Å; Q330-T333 WeakPolarHBondContact O-CB 3.4Å; Q330-T333 PolarHBondContact O-N 3.23Å; V331-T333 VanDerWaalsContact C-N 3.32Å; V331-T333 PolarHBondContact O-N 3.25Å; T333-K336 PolarHBondContact O-N 2.97Å; T333-K337 WeakPolarHBondContact O-CG 3.23Å; T333-K337 PolarHBondContact O-N 3.42Å
334L95.4Very high96.1Very high111 Ų11196 Ų9658%0.58152%0.516SS*.Hα-helixtrans-66.7-38.2175.8-72.2174.8000112.1Q330 V331 V332 K337 L338Q330-L334 WeakPolarHBondContact O-CB 3.41Å; Q330-L334 WeakPolarHBondContact O-CG 3.23Å; Q330-L334 PolarHBondContact O-N 3.48Å; V331-L334 PolarHBondContact O-N 2.87Å; V332-L334 PolarHBondContact O-N 3.15Å; L334-K337 PolarHBondContact O-N 2.94Å; L334-L338 WeakPolarHBondContact O-CB 3.38Å; L334-L338 PolarHBondContact O-N 2.87Å
335K96.9Very high96.1Very high127 Ų127101.9 Ų101.955%0.55253%0.527SS*.Hα-helixtrans-61.7-47.1173.5-77.4177.7178-179.50111.6V331 V332 K337 L338 E339V331-K335 HydrophobicContact CG1-CD 4.27Å; V331-K335 HydrophobicContact CG1-CG 4.49Å; V331-K335 WeakPolarHBondContact O-CB 3.34Å; V331-K335 WeakPolarHBondContact O-CG 3.3Å; V331-K335 PolarHBondContact O-N 2.89Å; V332-K335 PolarHBondContact O-N 3.37Å; K335-K337 VanDerWaalsContact C-N 3.3Å; K335-K337 PolarHBondContact O-N 2.73Å; K335-L338 WeakPolarHBondContact O-CA 3.21Å; K335-L338 WeakPolarHBondContact O-CB 3.35Å; K335-L338 PolarHBondContact O-N 3.38Å; K335-E339 PolarHBondContact O-N 3.43Å
336K97Very high96.2Very high146 Ų14699.9 Ų99.964%0.63552%0.522SS*.Hα-helixtrans-59.7-40.6175.7-173.2175.7-178.2177.10112V332 T333 L338 E339 V340V332-K336 PolarHBondContact O-N 2.86Å; T333-K336 PolarHBondContact O-N 2.97Å; K336-L338 VanDerWaalsContact C-N 3.34Å; K336-E339 PolarHBondContact O-N 2.84Å; K336-V340 WeakPolarHBondContact O-CG2 3.37Å; K336-V340 PolarHBondContact O-N 3.07Å; K336-V340 VanDerWaalsContact O-N 3.12Å
337K96.1Very high96.2Very high130 Ų130102 Ų10257%0.56553%0.527SS*.Hα-helixtrans-63.8-38.3173.6-73.1175.9-180179.20112.1T333 L334 K335 V340 V341T333-K337 WeakPolarHBondContact O-CG 3.23Å; T333-K337 PolarHBondContact O-N 3.42Å; L334-K337 PolarHBondContact O-N 2.94Å; K335-K337 VanDerWaalsContact C-N 3.3Å; K335-K337 PolarHBondContact O-N 2.73Å; K337-V340 PolarHBondContact O-N 3.41Å; K337-V341 WeakPolarHBondContact O-CG2 3.48Å; K337-V341 PolarHBondContact O-N 2.94Å
338L96.2Very high96.2Very high123 Ų123101.5 Ų101.564%0.64452%0.524SS*.Hα-helixtrans-66.6-38.5177.2-174.764.7000112.1L334 K335 K336 V341 G342L334-L338 WeakPolarHBondContact O-CB 3.38Å; L334-L338 PolarHBondContact O-N 2.87Å; K335-L338 WeakPolarHBondContact O-CA 3.21Å; K335-L338 WeakPolarHBondContact O-CB 3.35Å; K335-L338 PolarHBondContact O-N 3.38Å; K336-L338 VanDerWaalsContact C-N 3.34Å; L338-V341 PolarHBondContact O-N 3.44Å; L338-G342 PolarHBondContact O-N 2.9Å
339E97Very high96.3Very high130 Ų130105 Ų10561%0.60753%0.53SS*.Hα-helixtrans-59.8-48172.3-71.7170.8179.200111.1K335 K336 V341 G342 D343K335-E339 PolarHBondContact O-N 3.43Å; K336-E339 PolarHBondContact O-N 2.84Å; E339-V341 VanDerWaalsContact C-N 3.29Å; E339-V341 PolarHBondContact O-N 3.47Å; E339-G342 CarbonylContact O-C 3.4Å; E339-G342 WeakPolarHBondContact O-CA 3.36Å; E339-G342 PolarHBondContact O-N 3.3Å; E339-D343 PolarHBondContact O-N 3.11Å
340V96.5Very high96.4Very high74 Ų74101.5 Ų101.545%0.44852%0.518SS..Hα-helixtrans-59.1-39.5175.2173.10000111.8K336 K337 G342 D343 L344K336-V340 WeakPolarHBondContact O-CG2 3.37Å; K336-V340 PolarHBondContact O-N 3.07Å; K336-V340 VanDerWaalsContact O-N 3.12Å; K337-V340 PolarHBondContact O-N 3.41Å; V340-G342 VanDerWaalsContact C-N 3.31Å; V340-G342 PolarHBondContact O-N 3.14Å; V340-D343 PolarHBondContact O-N 3.44Å; V340-L344 HydrophobicContact CG1-CD1 4.13Å; V340-L344 HydrophobicContact CG1-CG 4.44Å; V340-L344 WeakPolarHBondContact O-CB 3.4Å; V340-L344 VanDerWaalsContact O-CG 3.27Å; V340-L344 WeakPolarHBondContact O-CG 3.41Å; V340-L344 PolarHBondContact O-N 2.85Å
341V95.8Very high96.4Very high62 Ų62100.6 Ų100.638%0.37652%0.516SS..Hα-helixtrans-65.3-36.2173.9171.20000111.5K337 L338 E339 R345K337-V341 WeakPolarHBondContact O-CG2 3.48Å; K337-V341 PolarHBondContact O-N 2.94Å; L338-V341 PolarHBondContact O-N 3.44Å; E339-V341 VanDerWaalsContact C-N 3.29Å; E339-V341 PolarHBondContact O-N 3.47Å; V341-R345 VanDerWaalsContact O-CG 3.25Å; V341-R345 WeakPolarHBondContact O-CG 3.38Å; V341-R345 PolarHBondContact O-N 3.24Å
342G95.6Very high96.4Very high36 Ų36103.4 Ų103.437%0.37153%0.525SS..Hα-helixtrans-62.1-4717300000112.5L338 E339 V340 R345 S346L338-G342 PolarHBondContact O-N 2.9Å; E339-G342 CarbonylContact O-C 3.4Å; E339-G342 WeakPolarHBondContact O-CA 3.36Å; E339-G342 PolarHBondContact O-N 3.3Å; V340-G342 VanDerWaalsContact C-N 3.31Å; V340-G342 PolarHBondContact O-N 3.14Å; G342-R345 PolarHBondContact O-N 2.92Å; G342-S346 PolarHBondContact O-N 3.3Å
343D95.9Very high96.4Very high112 Ų112105.7 Ų105.760%0.59953%0.53SS*.Hα-helixtrans-62.4-46.1177.3-67.4-24.8000111.4E339 V340 R345 S346 E347E339-D343 PolarHBondContact O-N 3.11Å; V340-D343 PolarHBondContact O-N 3.44Å; D343-R345 VanDerWaalsContact C-N 3.3Å; D343-R345 PolarHBondContact O-N 3.42Å; D343-S346 WeakPolarHBondContact O-CB 3.49Å; D343-S346 PolarHBondContact O-N 2.9Å; D343-S346 VanDerWaalsContact O-N 3.1Å; D343-E347 PolarHBondContact O-N 2.83Å
344L96.8Very high96.4Very high86 Ų86108.3 Ų108.345%0.4554%0.536SS..Hα-helixtrans-60.3-38.8176-73.8172.7000112.2V340 S346 E347 I348V340-L344 HydrophobicContact CG1-CD1 4.13Å; V340-L344 HydrophobicContact CG1-CG 4.44Å; V340-L344 WeakPolarHBondContact O-CB 3.4Å; V340-L344 VanDerWaalsContact O-CG 3.27Å; V340-L344 WeakPolarHBondContact O-CG 3.41Å; V340-L344 PolarHBondContact O-N 2.85Å; L344-S346 VanDerWaalsContact C-N 3.34Å; L344-E347 PolarHBondContact O-N 3.35Å; L344-I348 WeakPolarHBondContact O-CB 3.24Å; L344-I348 VanDerWaalsContact O-CG1 3.23Å; L344-I348 WeakPolarHBondContact O-CG1 3.39Å; L344-I348 PolarHBondContact O-N 3.34Å
345R96.9Very high96.3Very high180 Ų180107.9 Ų107.968%0.67953%0.534SS*.Hα-helixtrans-65.3-38.8174.9-75.6173.6-178.6-148.11.3112V341 G342 D343 K349V341-R345 VanDerWaalsContact O-CG 3.25Å; V341-R345 WeakPolarHBondContact O-CG 3.38Å; V341-R345 PolarHBondContact O-N 3.24Å; G342-R345 PolarHBondContact O-N 2.92Å; D343-R345 VanDerWaalsContact C-N 3.3Å; D343-R345 PolarHBondContact O-N 3.42Å; R345-K349 PolarHBondContact O-N 3.15Å
346S96.8Very high96.3Very high73 Ų73104.8 Ų104.851%0.5153%0.532SS..Hα-helixtrans-64.3-45.3175-1710000111.1G342 D343 L344 K349 V350G342-S346 PolarHBondContact O-N 3.3Å; D343-S346 WeakPolarHBondContact O-CB 3.49Å; D343-S346 PolarHBondContact O-N 2.9Å; D343-S346 VanDerWaalsContact O-N 3.1Å; L344-S346 VanDerWaalsContact C-N 3.34Å; S346-K349 WeakPolarHBondContact O-CB 3.46Å; S346-K349 PolarHBondContact O-N 2.74Å; S346-V350 WeakPolarHBondContact O-CG2 3.28Å; S346-V350 PolarHBondContact O-N 2.89Å
347E96.9Very high96.3Very high112 Ų112100.2 Ų100.252%0.52352%0.518SS..Hα-helixtrans-62-45.1176.7-174.1175-172.600112.1D343 L344 K349 V350 L351D343-E347 PolarHBondContact O-N 2.83Å; L344-E347 PolarHBondContact O-N 3.35Å; E347-K349 VanDerWaalsContact C-N 3.31Å; E347-K349 PolarHBondContact O-N 2.98Å; E347-V350 PolarHBondContact O-N 3.04Å; E347-L351 HydrophobicContact CG-CD1 4.32Å; E347-L351 WeakPolarHBondContact O-CG 3.4Å; E347-L351 PolarHBondContact O-N 3.45Å
348I96.4Very high96.3Very high91 Ų9198.6 Ų98.647%0.46752%0.515SS..Hα-helixtrans-57.2-45.4174.6-72.9166.6000110.5L344 V350 L351 E352L344-I348 WeakPolarHBondContact O-CB 3.24Å; L344-I348 VanDerWaalsContact O-CG1 3.23Å; L344-I348 WeakPolarHBondContact O-CG1 3.39Å; L344-I348 PolarHBondContact O-N 3.34Å; I348-V350 VanDerWaalsContact C-N 3.33Å; I348-V350 PolarHBondContact O-N 3.11Å; I348-L351 PolarHBondContact O-N 2.74Å; I348-L351 VanDerWaalsContact O-N 3.16Å; I348-E352 HydrophobicContact CG2-CG 4.26Å; I348-E352 WeakPolarHBondContact O-CB 3.36Å; I348-E352 WeakPolarHBondContact O-CG 3.35Å; I348-E352 PolarHBondContact O-N 3.35Å
349K96.8Very high96.4Very high143 Ų14396.3 Ų96.362%0.62251%0.506SS*.Hα-helixtrans-61.4-41178.4-171.5-178178.2-173.50112.3R345 S346 E347 E352 E353R345-K349 PolarHBondContact O-N 3.15Å; S346-K349 WeakPolarHBondContact O-CB 3.46Å; S346-K349 PolarHBondContact O-N 2.74Å; E347-K349 VanDerWaalsContact C-N 3.31Å; E347-K349 PolarHBondContact O-N 2.98Å; K349-E352 PolarHBondContact O-N 2.88Å; K349-E353 WeakPolarHBondContact O-CB 3.33Å; K349-E353 PolarHBondContact O-N 3.25Å
350V96.8Very high96.3Very high62 Ų6293 Ų9338%0.37650%0.501SS..Hα-helixtrans-65.4-39.8175.7171.70000111.1S346 E347 I348 E353 K354S346-V350 WeakPolarHBondContact O-CG2 3.28Å; S346-V350 PolarHBondContact O-N 2.89Å; E347-V350 PolarHBondContact O-N 3.04Å; I348-V350 VanDerWaalsContact C-N 3.33Å; I348-V350 PolarHBondContact O-N 3.11Å; V350-E353 PolarHBondContact O-N 2.91Å; V350-K354 HydrophobicContact CG1-CD 4.22Å; V350-K354 WeakPolarHBondContact O-CB 3.28Å; V350-K354 VanDerWaalsContact O-CG 3.3Å; V350-K354 WeakPolarHBondContact O-CG 3.45Å; V350-K354 PolarHBondContact O-N 2.87Å
351L96Very high96.3Very high95 Ų9594.6 Ų94.650%0.49750%0.504SS..Hα-helixtrans-67.6-38.7175.9-71.9174.6000112.1E347 I348 K354 N355E347-L351 HydrophobicContact CG-CD1 4.32Å; E347-L351 WeakPolarHBondContact O-CG 3.4Å; E347-L351 PolarHBondContact O-N 3.45Å; I348-L351 PolarHBondContact O-N 2.74Å; I348-L351 VanDerWaalsContact O-N 3.16Å; L351-K354 PolarHBondContact O-N 3.12Å; L351-N355 VanDerWaalsContact O-CB 3.29Å; L351-N355 WeakPolarHBondContact O-CB 3.4Å; L351-N355 PolarHBondContact O-N 3.49Å
352E95.6Very high96.2Very high125 Ų12597 Ų9758%0.58451%0.514SS*.Hα-helixtrans-62.3-43.6173.6-74.4173.9166.900111.5I348 K349 N355 A356I348-E352 HydrophobicContact CG2-CG 4.26Å; I348-E352 WeakPolarHBondContact O-CB 3.36Å; I348-E352 WeakPolarHBondContact O-CG 3.35Å; I348-E352 PolarHBondContact O-N 3.35Å; K349-E352 PolarHBondContact O-N 2.88Å; E352-N355 PolarHBondContact O-N 2.85Å; E352-A356 WeakPolarHBondContact O-CB 3.48Å; E352-A356 PolarHBondContact O-N 2.83Å
353E96.4Very high96.2Very high137 Ų13799.3 Ų99.364%0.6452%0.521SS*.Hα-helixtrans-64.7-43.8175.9-174.9172-172.400111.9K349 V350 N355 A356 S357K349-E353 WeakPolarHBondContact O-CB 3.33Å; K349-E353 PolarHBondContact O-N 3.25Å; V350-E353 PolarHBondContact O-N 2.91Å; E353-N355 PolarHBondContact O-N 3.25Å; E353-A356 PolarHBondContact O-N 2.86Å; E353-S357 WeakPolarHBondContact O-CB 3.21Å; E353-S357 PolarHBondContact O-N 2.99Å
354K96.3Very high96.2Very high119 Ų119100.8 Ų100.852%0.51752%0.524SS..Hα-helixtrans-61.2-44.4173.7-74.6175.1-177.3169.70111.4V350 L351 S357 L358V350-K354 HydrophobicContact CG1-CD 4.22Å; V350-K354 WeakPolarHBondContact O-CB 3.28Å; V350-K354 VanDerWaalsContact O-CG 3.3Å; V350-K354 WeakPolarHBondContact O-CG 3.45Å; V350-K354 PolarHBondContact O-N 2.87Å; L351-K354 PolarHBondContact O-N 3.12Å; K354-S357 PolarHBondContact O-N 3.04Å; K354-S357 PolarHBondContact O-OG 3.44Å; K354-L358 WeakPolarHBondContact O-CG 3.45Å; K354-L358 PolarHBondContact O-N 3.43Å
355N94.1Very high96Very high102 Ų102100.2 Ų100.255%0.54553%0.527SS..Hα-helixtrans-63.6-43.9178.4-167.228.8000111.3L351 E352 E353 S357 L358 V359L351-N355 VanDerWaalsContact O-CB 3.29Å; L351-N355 WeakPolarHBondContact O-CB 3.4Å; L351-N355 PolarHBondContact O-N 3.49Å; E352-N355 PolarHBondContact O-N 2.85Å; E353-N355 PolarHBondContact O-N 3.25Å; N355-S357 VanDerWaalsContact C-N 3.28Å; N355-S357 PolarHBondContact O-N 3.33Å; N355-L358 PolarHBondContact O-N 3.02Å; N355-V359 WeakPolarHBondContact O-CG2 3.41Å; N355-V359 PolarHBondContact O-N 3.26Å
356A96.3Very high95.9Very high62 Ų6298.1 Ų98.151%0.51253%0.525SS..Hα-helixtrans-58.5-40.4173.200000111.9E352 E353 V359 A360E352-A356 WeakPolarHBondContact O-CB 3.48Å; E352-A356 PolarHBondContact O-N 2.83Å; E353-A356 PolarHBondContact O-N 2.86Å; A356-V359 PolarHBondContact O-N 2.68Å; A356-A360 WeakPolarHBondContact O-CB 3.46Å; A356-A360 PolarHBondContact O-N 3.48Å
357S96.7Very high95.7Very high50 Ų5097.8 Ų97.835%0.3552%0.515SS..Hα-helixtrans-66.4-40.1176.580.80000113E353 K354 N355 A360 Q361E353-S357 WeakPolarHBondContact O-CB 3.21Å; E353-S357 PolarHBondContact O-N 2.99Å; K354-S357 PolarHBondContact O-N 3.04Å; K354-S357 PolarHBondContact O-OG 3.44Å; N355-S357 VanDerWaalsContact C-N 3.28Å; N355-S357 PolarHBondContact O-N 3.33Å; S357-A360 PolarHBondContact O-N 2.84Å; S357-Q361 WeakPolarHBondContact O-CG 3.45Å; S357-Q361 PolarHBondContact O-N 2.88Å
358L96.2Very high95.6Very high96 Ų9696.4 Ų96.450%0.50351%0.509SS..Hα-helixtrans-66.6-43.2176.7-73.4174.2000111.1K354 N355 A360 Q361 L362K354-L358 WeakPolarHBondContact O-CG 3.45Å; K354-L358 PolarHBondContact O-N 3.43Å; N355-L358 PolarHBondContact O-N 3.02Å; L358-A360 VanDerWaalsContact C-N 3.34Å; L358-A360 PolarHBondContact O-N 3.47Å; L358-Q361 PolarHBondContact O-N 3.42Å; L358-L362 WeakPolarHBondContact O-CG 3.44Å; L358-L362 PolarHBondContact O-N 2.96Å
359V97.6Very high95.5Very high75 Ų7598.3 Ų98.346%0.45552%0.516SS..Hα-helixtrans-60.9-43.8174.7172.10000110.7N355 A356 Q361 L362 V363N355-V359 WeakPolarHBondContact O-CG2 3.41Å; N355-V359 PolarHBondContact O-N 3.26Å; A356-V359 PolarHBondContact O-N 2.68Å; V359-Q361 VanDerWaalsContact C-N 3.35Å; V359-Q361 PolarHBondContact O-N 3.27Å; V359-L362 PolarHBondContact O-N 2.96Å; V359-V363 WeakPolarHBondContact O-CG2 3.24Å; V359-V363 PolarHBondContact O-N 3.34Å
360A95.7Very high95.4Very high60 Ų6099 Ų9950%0.49652%0.515SS..Hα-helixtrans-61.6-41.4176.400000112.5A356 S357 L358 V363 Q364A356-A360 WeakPolarHBondContact O-CB 3.46Å; A356-A360 PolarHBondContact O-N 3.48Å; S357-A360 PolarHBondContact O-N 2.84Å; L358-A360 VanDerWaalsContact C-N 3.34Å; L358-A360 PolarHBondContact O-N 3.47Å; A360-V363 PolarHBondContact O-N 3.18Å; A360-Q364 WeakPolarHBondContact O-CB 3.45Å; A360-Q364 PolarHBondContact O-N 3.43Å
361Q96.3Very high95.3Very high109 Ų109100.5 Ų100.551%0.50952%0.516SS..Hα-helixtrans-65.6-39.5175.8-73.6175.131.100112.6S357 L358 V359 Q364 S365S357-Q361 WeakPolarHBondContact O-CG 3.45Å; S357-Q361 PolarHBondContact O-N 2.88Å; L358-Q361 PolarHBondContact O-N 3.42Å; V359-Q361 VanDerWaalsContact C-N 3.35Å; V359-Q361 PolarHBondContact O-N 3.27Å; Q361-Q364 PolarHBondContact O-N 2.9Å; Q361-S365 WeakPolarHBondContact O-CB 3.27Å; Q361-S365 PolarHBondContact O-N 3.46Å; Q361-S365 PolarHBondContact O-OG 3.44Å
362L93.6Very high95.2Very high112 Ų11298.6 Ų98.659%0.58651%0.511SS*.Hα-helixtrans-62.1-49.2174.3-74.2173.3000110.8L358 V359 Q364 S365 E366L358-L362 WeakPolarHBondContact O-CG 3.44Å; L358-L362 PolarHBondContact O-N 2.96Å; V359-L362 PolarHBondContact O-N 2.96Å; L362-Q364 VanDerWaalsContact C-N 3.32Å; L362-Q364 PolarHBondContact O-N 3.44Å; L362-S365 PolarHBondContact O-N 2.98Å; L362-S365 VanDerWaalsContact O-N 3.14Å; L362-E366 WeakPolarHBondContact O-CG 3.29Å; L362-E366 PolarHBondContact O-N 2.68Å
363V96.5Very high95.1Very high84 Ų8495 Ų9551%0.50950%0.503SS..Hα-helixtrans-59-42.4177170.90000111.5V359 A360 S365 E366 E367V359-V363 WeakPolarHBondContact O-CG2 3.24Å; V359-V363 PolarHBondContact O-N 3.34Å; A360-V363 PolarHBondContact O-N 3.18Å; V363-S365 PolarHBondContact O-N 3.46Å; V363-E366 PolarHBondContact O-N 3.38Å; V363-E367 WeakPolarHBondContact O-CB 3.47Å; V363-E367 PolarHBondContact O-N 3.5Å
364Q95.4Very high95Very high143 Ų14390 Ų9067%0.66849%0.488SS*.Hα-helixtrans-63.2-41.3176.5-176.1179.5600112.2A360 Q361 L362 E367 E368A360-Q364 WeakPolarHBondContact O-CB 3.45Å; A360-Q364 PolarHBondContact O-N 3.43Å; Q361-Q364 PolarHBondContact O-N 2.9Å; L362-Q364 VanDerWaalsContact C-N 3.32Å; L362-Q364 PolarHBondContact O-N 3.44Å; Q364-E367 PolarHBondContact O-N 3.07Å; Q364-E368 PolarHBondContact O-N 3.31Å
365S91.9Very high94.9Very high75 Ų7591.3 Ų91.352%0.52449%0.489SS..Hα-helixtrans-68.9-40.1179.1-58.60000111.7Q361 L362 V363 E367 E368 Q369Q361-S365 WeakPolarHBondContact O-CB 3.27Å; Q361-S365 PolarHBondContact O-N 3.46Å; Q361-S365 PolarHBondContact O-OG 3.44Å; L362-S365 PolarHBondContact O-N 2.98Å; L362-S365 VanDerWaalsContact O-N 3.14Å; V363-S365 PolarHBondContact O-N 3.46Å; S365-E367 VanDerWaalsContact C-N 3.34Å; S365-E368 PolarHBondContact O-N 2.95Å; S365-Q369 WeakPolarHBondContact O-CB 3.29Å; S365-Q369 PolarHBondContact O-N 3.3Å
366E94.9Very high95Very high135 Ų13593.2 Ų93.263%0.63149%0.493SS*.Hα-helixtrans-62.9-40.4173.2-73.7-177.8162.600111.9L362 V363 Q369 R370L362-E366 WeakPolarHBondContact O-CG 3.29Å; L362-E366 PolarHBondContact O-N 2.68Å; V363-E366 PolarHBondContact O-N 3.38Å; E366-Q369 WeakPolarHBondContact O-CB 3.22Å; E366-Q369 PolarHBondContact O-N 2.8Å; E366-R370 WeakPolarHBondContact O-CB 3.47Å; E366-R370 PolarHBondContact O-N 2.94Å
367E94.4Very high95Very high66 Ų6694.9 Ų94.931%0.30850%0.497SS..Hα-helixtrans-66.2-39.9176.117856.6-159.100112V363 Q364 S365 Q369 R370 K371V363-E367 WeakPolarHBondContact O-CB 3.47Å; V363-E367 PolarHBondContact O-N 3.5Å; Q364-E367 PolarHBondContact O-N 3.07Å; S365-E367 VanDerWaalsContact C-N 3.34Å; E367-Q369 VanDerWaalsContact C-N 3.34Å; E367-R370 VanDerWaalsContact CD-NH2 3.27Å; E367-R370 PolarHBondContact O-N 3.45Å; E367-R370 IonicContact OE1-CZ 3.93Å; E367-R370 IonicContact OE1-NE 3.88Å; E367-R370 IonicContact OE1-NH2 3.93Å; E367-R370 PolarHBondContact OE1-NH2 3.26Å; E367-R370 IonicContact OE2-CZ 3.53Å; E367-R370 IonicContact OE2-NE 2.99Å; E367-R370 PolarHBondContact OE2-NE 3.02Å; E367-R370 IonicContact OE2-NH2 2.85Å; E367-R370 PolarHBondContact OE2-NH2 3.48Å; E367-R370 VanDerWaalsContact OE2-NH2 3.09Å; E367-K371 WeakPolarHBondContact O-CG 3.41Å; E367-K371 PolarHBondContact O-N 3.09Å; E367-K371 WeakPolarHBondContact OE1-CE 3.41Å
368E93.9Very high94.9Very high83 Ų8398.6 Ų98.639%0.38851%0.508SS..Hα-helixtrans-67.7-35.4173-166.559.5-150.600111.7Q364 S365 R370 K371 S372 R375Q364-E368 PolarHBondContact O-N 3.31Å; S365-E368 PolarHBondContact O-N 2.95Å; E368-R370 VanDerWaalsContact C-N 3.34Å; E368-R370 PolarHBondContact O-N 3.43Å; E368-K371 PolarHBondContact O-N 2.95Å; E368-S372 VanDerWaalsContact O-CB 3.25Å; E368-S372 WeakPolarHBondContact O-CB 3.42Å; E368-S372 PolarHBondContact O-N 3.37Å; E368-R375 IonicContact OE1-CZ 3.44Å; E368-R375 IonicContact OE1-NH1 2.68Å; E368-R375 PolarHBondContact OE1-NH1 3.34Å; E368-R375 IonicContact OE1-NH2 3.3Å
369Q94.2Very high94.9Very high131 Ų13199.3 Ų99.361%0.61251%0.512SS*.Hα-helixtrans-64.2-40173.4-174.661.712.500111.6S365 E366 E367 S372 A373S365-Q369 WeakPolarHBondContact O-CB 3.29Å; S365-Q369 PolarHBondContact O-N 3.3Å; E366-Q369 WeakPolarHBondContact O-CB 3.22Å; E366-Q369 PolarHBondContact O-N 2.8Å; E367-Q369 VanDerWaalsContact C-N 3.34Å; Q369-S372 PolarHBondContact O-N 2.88Å; Q369-A373 WeakPolarHBondContact O-CB 3.3Å; Q369-A373 PolarHBondContact O-N 2.9Å
370R94.2Very high94.8Very high159 Ų159100.1 Ų100.160%0.651%0.511SS*.Hα-helixtrans-64.3-42.2174.4-168.1-175.769.880.2-1111.7E366 E367 E368 A373 G374E366-R370 WeakPolarHBondContact O-CB 3.47Å; E366-R370 PolarHBondContact O-N 2.94Å; E367-R370 VanDerWaalsContact CD-NH2 3.27Å; E367-R370 PolarHBondContact O-N 3.45Å; E367-R370 IonicContact OE1-CZ 3.93Å; E367-R370 IonicContact OE1-NE 3.88Å; E367-R370 IonicContact OE1-NH2 3.93Å; E367-R370 PolarHBondContact OE1-NH2 3.26Å; E367-R370 IonicContact OE2-CZ 3.53Å; E367-R370 IonicContact OE2-NE 2.99Å; E367-R370 PolarHBondContact OE2-NE 3.02Å; E367-R370 IonicContact OE2-NH2 2.85Å; E367-R370 PolarHBondContact OE2-NH2 3.48Å; E367-R370 VanDerWaalsContact OE2-NH2 3.09Å; E368-R370 VanDerWaalsContact C-N 3.34Å; E368-R370 PolarHBondContact O-N 3.43Å; R370-A373 PolarHBondContact O-N 3.44Å; R370-G374 PolarHBondContact O-N 2.9Å
371K95.2Very high94.8Very high93 Ų93100.6 Ų100.640%0.40451%0.508SS..Hα-helixtrans-65-43.2173.9-71.9171.8-173.2167.50112E367 E368 A373 G374 R375E367-K371 WeakPolarHBondContact O-CG 3.41Å; E367-K371 PolarHBondContact O-N 3.09Å; E367-K371 WeakPolarHBondContact OE1-CE 3.41Å; E368-K371 PolarHBondContact O-N 2.95Å; K371-A373 VanDerWaalsContact C-N 3.35Å; K371-G374 CarbonylContact O-C 3.56Å; K371-G374 WeakPolarHBondContact O-CA 3.39Å; K371-G374 PolarHBondContact O-N 2.94Å; K371-G374 VanDerWaalsContact O-N 3.13Å; K371-R375 WeakPolarHBondContact O-CG 3.33Å; K371-R375 PolarHBondContact O-N 3.43Å
372S93.9Very high94.8Very high55 Ų55100.8 Ų100.839%0.38551%0.512SS..Hα-helixtrans-59.8-45.1175.8-177.50000111E368 Q369 G374 R375 K376E368-S372 VanDerWaalsContact O-CB 3.25Å; E368-S372 WeakPolarHBondContact O-CB 3.42Å; E368-S372 PolarHBondContact O-N 3.37Å; Q369-S372 PolarHBondContact O-N 2.88Å; S372-G374 VanDerWaalsContact C-N 3.32Å; S372-G374 PolarHBondContact O-N 3.47Å; S372-R375 PolarHBondContact O-N 3Å; S372-K376 WeakPolarHBondContact O-CB 3.33Å; S372-K376 PolarHBondContact O-N 3.06Å
373A93.9Very high94.9Very high50 Ų50101.3 Ų101.341%0.41351%0.509SS..Hα-helixtrans-58.7-43172.500000111.9Q369 R370 K371 K376 V377Q369-A373 WeakPolarHBondContact O-CB 3.3Å; Q369-A373 PolarHBondContact O-N 2.9Å; R370-A373 PolarHBondContact O-N 3.44Å; K371-A373 VanDerWaalsContact C-N 3.35Å; A373-K376 PolarHBondContact O-N 2.98Å; A373-V377 WeakPolarHBondContact O-CG2 3.47Å; A373-V377 PolarHBondContact O-N 3.41Å
374G93.9Very high94.9Very high32 Ų32103.1 Ų103.133%0.3351%0.513SS..Hα-helixtrans-61.1-47.2173.900000113.5R370 K371 S372 K376 V377 Q378R370-G374 PolarHBondContact O-N 2.9Å; K371-G374 CarbonylContact O-C 3.56Å; K371-G374 WeakPolarHBondContact O-CA 3.39Å; K371-G374 PolarHBondContact O-N 2.94Å; K371-G374 VanDerWaalsContact O-N 3.13Å; S372-G374 VanDerWaalsContact C-N 3.32Å; S372-G374 PolarHBondContact O-N 3.47Å; G374-K376 VanDerWaalsContact C-N 3.29Å; G374-K376 PolarHBondContact O-N 3.01Å; G374-V377 PolarHBondContact O-N 2.9Å; G374-Q378 WeakPolarHBondContact O-CG 3.42Å; G374-Q378 PolarHBondContact O-N 2.94Å
375R94.2Very high94.9Very high145 Ų145102.5 Ų102.555%0.54751%0.509SS..Hα-helixtrans-60.8-38.1175.4-71.3175.1-178.1147.22.3111.5E368 K371 S372 Q378 L379E368-R375 IonicContact OE1-CZ 3.44Å; E368-R375 IonicContact OE1-NH1 2.68Å; E368-R375 PolarHBondContact OE1-NH1 3.34Å; E368-R375 IonicContact OE1-NH2 3.3Å; K371-R375 WeakPolarHBondContact O-CG 3.33Å; K371-R375 PolarHBondContact O-N 3.43Å; S372-R375 PolarHBondContact O-N 3Å; R375-Q378 WeakPolarHBondContact O-CB 3.49Å; R375-Q378 PolarHBondContact O-N 3.21Å; R375-L379 WeakPolarHBondContact O-CB 3.48Å; R375-L379 PolarHBondContact O-N 3.4Å
376K95.7Very high95.1Very high143 Ų143103.7 Ų103.762%0.62251%0.509SS*.Hα-helixtrans-65.5-42.2177.6-160.9175.9-173.5177.80111.9S372 A373 G374 Q378 L379 E380S372-K376 WeakPolarHBondContact O-CB 3.33Å; S372-K376 PolarHBondContact O-N 3.06Å; A373-K376 PolarHBondContact O-N 2.98Å; G374-K376 VanDerWaalsContact C-N 3.29Å; G374-K376 PolarHBondContact O-N 3.01Å; K376-Q378 VanDerWaalsContact C-N 3.33Å; K376-Q378 PolarHBondContact O-N 3.44Å; K376-L379 WeakPolarHBondContact O-CB 3.41Å; K376-L379 PolarHBondContact O-N 3.17Å; K376-E380 WeakPolarHBondContact O-CG 3.34Å; K376-E380 PolarHBondContact O-N 3.38Å
377V95.7Very high95.2Very high97 Ų97102.8 Ų102.859%0.58850%0.504SS*.Hα-helixtrans-62.9-40.9173.4172.30000111.3A373 G374 E380 T381A373-V377 WeakPolarHBondContact O-CG2 3.47Å; A373-V377 PolarHBondContact O-N 3.41Å; G374-V377 PolarHBondContact O-N 2.9Å; V377-E380 PolarHBondContact O-N 3.49Å; V377-T381 PolarHBondContact O-N 3.44Å; V377-T381 PolarHBondContact O-OG1 3.1Å
378Q95.4Very high95.3Very high127 Ų127105.1 Ų105.159%0.59352%0.515SS*.Hα-helixtrans-63-43.2175-70173.47.600111.8G374 R375 K376 T381 L382G374-Q378 WeakPolarHBondContact O-CG 3.42Å; G374-Q378 PolarHBondContact O-N 2.94Å; R375-Q378 WeakPolarHBondContact O-CB 3.49Å; R375-Q378 PolarHBondContact O-N 3.21Å; K376-Q378 VanDerWaalsContact C-N 3.33Å; K376-Q378 PolarHBondContact O-N 3.44Å; Q378-T381 WeakPolarHBondContact O-CB 3.43Å; Q378-T381 PolarHBondContact O-N 3.23Å; Q378-L382 WeakPolarHBondContact O-CG 3.34Å; Q378-L382 PolarHBondContact O-N 3.31Å
379L95.6Very high95.3Very high112 Ų112103.8 Ų103.859%0.58652%0.518SS*.Hα-helixtrans-60.2-47.2177-168.786.8000111.5R375 K376 T381 L382 K383R375-L379 WeakPolarHBondContact O-CB 3.48Å; R375-L379 PolarHBondContact O-N 3.4Å; K376-L379 WeakPolarHBondContact O-CB 3.41Å; K376-L379 PolarHBondContact O-N 3.17Å; L379-T381 VanDerWaalsContact C-N 3.28Å; L379-T381 PolarHBondContact O-N 2.99Å; L379-L382 PolarHBondContact O-N 3.34Å; L379-K383 WeakPolarHBondContact O-CB 3.5Å; L379-K383 PolarHBondContact O-N 3.4Å
380E96.6Very high95.4Very high92 Ų92102.3 Ų102.343%0.4351%0.511SS..Hα-helixtrans-62.5-36.6176.5-70.6-59.7158.600112K376 V377 K383 M384K376-E380 WeakPolarHBondContact O-CG 3.34Å; K376-E380 PolarHBondContact O-N 3.38Å; V377-E380 PolarHBondContact O-N 3.49Å; E380-K383 PolarHBondContact O-N 3.23Å; E380-M384 WeakPolarHBondContact O-CB 3.37Å; E380-M384 WeakPolarHBondContact O-CG 3.43Å; E380-M384 PolarHBondContact O-N 2.94Å
381T96Very high95.5Very high70 Ų7097.2 Ų97.243%0.42950%0.5SS..Hα-helixtrans-65.2-43.8175-55.60000111.7V377 Q378 L379 M384 K385V377-T381 PolarHBondContact O-N 3.44Å; V377-T381 PolarHBondContact O-OG1 3.1Å; Q378-T381 WeakPolarHBondContact O-CB 3.43Å; Q378-T381 PolarHBondContact O-N 3.23Å; L379-T381 VanDerWaalsContact C-N 3.28Å; L379-T381 PolarHBondContact O-N 2.99Å; T381-M384 PolarHBondContact O-N 2.91Å; T381-K385 WeakPolarHBondContact O-CG 3.44Å; T381-K385 PolarHBondContact O-N 2.93Å; T381-K385 VanDerWaalsContact O-N 3.08Å
382L94.7Very high95.5Very high113 Ų11398.6 Ų98.659%0.59251%0.506SS*.Hα-helixtrans-66.4-39.9176.5-72.1176.5000111.7Q378 L379 K385 L386Q378-L382 WeakPolarHBondContact O-CG 3.34Å; Q378-L382 PolarHBondContact O-N 3.31Å; L379-L382 PolarHBondContact O-N 3.34Å; L382-K385 PolarHBondContact O-N 3.34Å; L382-L386 WeakPolarHBondContact O-CB 3.36Å; L382-L386 PolarHBondContact O-N 2.91Å
383K96.9Very high95.6Very high123 Ų12399 Ų9954%0.53551%0.512SS..Hα-helixtrans-61-44.4175.1-173.3-179.4176.9-174.80111.9L379 E380 K385 L386 Q387L379-K383 WeakPolarHBondContact O-CB 3.5Å; L379-K383 PolarHBondContact O-N 3.4Å; E380-K383 PolarHBondContact O-N 3.23Å; K383-K385 VanDerWaalsContact C-N 3.35Å; K383-K385 PolarHBondContact O-N 2.99Å; K383-L386 PolarHBondContact O-N 3.45Å; K383-Q387 WeakPolarHBondContact O-CB 3.28Å; K383-Q387 PolarHBondContact O-N 3.28Å
384M96.4Very high95.7Very high121 Ų121102 Ų10260%0.59652%0.518SS*.Hα-helixtrans-61.1-41.9174-79.6-64.7-6000112.4E380 T381 Q387 Q388E380-M384 WeakPolarHBondContact O-CB 3.37Å; E380-M384 WeakPolarHBondContact O-CG 3.43Å; E380-M384 PolarHBondContact O-N 2.94Å; T381-M384 PolarHBondContact O-N 2.91Å; M384-Q387 PolarHBondContact O-N 2.9Å; M384-Q388 WeakPolarHBondContact O-CB 3.48Å; M384-Q388 PolarHBondContact O-N 2.98Å
385K95.9Very high95.8Very high131 Ų131104.4 Ų104.457%0.5752%0.521SS*.Hα-helixtrans-65.6-40.4175.7-73.9179.2179.9179.70112.2T381 L382 K383 Q388 A389T381-K385 WeakPolarHBondContact O-CG 3.44Å; T381-K385 PolarHBondContact O-N 2.93Å; T381-K385 VanDerWaalsContact O-N 3.08Å; L382-K385 PolarHBondContact O-N 3.34Å; K383-K385 VanDerWaalsContact C-N 3.35Å; K383-K385 PolarHBondContact O-N 2.99Å; K385-Q388 PolarHBondContact O-N 2.91Å; K385-A389 WeakPolarHBondContact O-CB 3.42Å; K385-A389 PolarHBondContact O-N 3.33Å
386L95.7Very high95.8Very high100 Ų100102.8 Ų102.852%0.52452%0.519SS..Hα-helixtrans-62.5-49.7175.6-178.265.6000110.4L382 K383 Q388 A389 E390L382-L386 WeakPolarHBondContact O-CB 3.36Å; L382-L386 PolarHBondContact O-N 2.91Å; K383-L386 PolarHBondContact O-N 3.45Å; L386-Q388 VanDerWaalsContact C-N 3.27Å; L386-Q388 PolarHBondContact O-N 2.9Å; L386-A389 CarbonylContact O-C 3.54Å; L386-A389 WeakPolarHBondContact O-CA 3.32Å; L386-A389 WeakPolarHBondContact O-CB 3.45Å; L386-A389 PolarHBondContact O-N 3.49Å; L386-E390 HydrophobicContact CD1-CG 4.48Å; L386-E390 HydrophobicContact CG-CG 4.44Å; L386-E390 WeakPolarHBondContact O-CG 3.4Å; L386-E390 PolarHBondContact O-N 3.37Å
387Q96.3Very high95.9Very high116 Ų11698.8 Ų98.854%0.54251%0.513SS..Hα-helixtrans-59.8-37.9177.4-171.3178.9-200112.1K383 M384 S391K383-Q387 WeakPolarHBondContact O-CB 3.28Å; K383-Q387 PolarHBondContact O-N 3.28Å; M384-Q387 PolarHBondContact O-N 2.9Å; Q387-S391 WeakPolarHBondContact O-CB 3.38Å; Q387-S391 PolarHBondContact O-N 3.39Å
388Q96.4Very high95.9Very high115 Ų115100.9 Ų100.954%0.53751%0.51SS..Hα-helixtrans-67-39.1174.1-170.1-178.121.200112.2M384 K385 L386 K392M384-Q388 WeakPolarHBondContact O-CB 3.48Å; M384-Q388 PolarHBondContact O-N 2.98Å; K385-Q388 PolarHBondContact O-N 2.91Å; L386-Q388 VanDerWaalsContact C-N 3.27Å; L386-Q388 PolarHBondContact O-N 2.9Å; Q388-K392 WeakPolarHBondContact O-CG 3.33Å; Q388-K392 PolarHBondContact O-N 3.23Å; Q388-K392 VanDerWaalsContact O-N 3.09Å
389A94.7Very high95.9Very high54 Ų5499.1 Ų99.145%0.44650%0.501SS..Hα-helixtrans-68.4-40.817600000111.7K385 L386 K392 A393K385-A389 WeakPolarHBondContact O-CB 3.42Å; K385-A389 PolarHBondContact O-N 3.33Å; L386-A389 CarbonylContact O-C 3.54Å; L386-A389 WeakPolarHBondContact O-CA 3.32Å; L386-A389 WeakPolarHBondContact O-CB 3.45Å; L386-A389 PolarHBondContact O-N 3.49Å; A389-K392 PolarHBondContact O-N 2.63Å; A389-A393 WeakPolarHBondContact O-CB 3.46Å; A389-A393 PolarHBondContact O-N 3.38Å
390E95.8Very high95.8Very high101 Ų10195.1 Ų95.147%0.47249%0.487SS..Hα-helixtrans-60.1-48.5173-73.3174.5161.200110.8L386 K392 A393 E394L386-E390 HydrophobicContact CD1-CG 4.48Å; L386-E390 HydrophobicContact CG-CG 4.44Å; L386-E390 WeakPolarHBondContact O-CG 3.4Å; L386-E390 PolarHBondContact O-N 3.37Å; E390-K392 VanDerWaalsContact C-N 3.28Å; E390-K392 PolarHBondContact O-N 3.42Å; E390-A393 PolarHBondContact O-N 2.91Å; E390-A393 VanDerWaalsContact O-N 3.1Å; E390-E394 WeakPolarHBondContact O-CG 3.35Å; E390-E394 PolarHBondContact O-N 3.06Å
391S96.4Very high95.8Very high51 Ų5195.1 Ų95.136%0.35749%0.493SS..Hα-helixtrans-57.1-40.9175.2-175.50000112.4Q387 E395Q387-S391 WeakPolarHBondContact O-CB 3.38Å; Q387-S391 PolarHBondContact O-N 3.39Å; S391-E395 WeakPolarHBondContact O-CG 3.41Å; S391-E395 PolarHBondContact O-N 2.99Å
392K96.5Very high95.8Very high123 Ų12397 Ų9754%0.53550%0.497SS..Hα-helixtrans-69-39.7176.2-74.1179.1-174.1-1770112.3Q388 A389 E390 E395 E396Q388-K392 WeakPolarHBondContact O-CG 3.33Å; Q388-K392 PolarHBondContact O-N 3.23Å; Q388-K392 VanDerWaalsContact O-N 3.09Å; A389-K392 PolarHBondContact O-N 2.63Å; E390-K392 VanDerWaalsContact C-N 3.28Å; E390-K392 PolarHBondContact O-N 3.42Å; K392-E395 PolarHBondContact O-N 3.07Å; K392-E396 WeakPolarHBondContact O-CB 3.39Å; K392-E396 PolarHBondContact O-N 2.99Å
393A95.2Very high95.7Very high62 Ų6297.4 Ų97.451%0.51249%0.494SS..Hα-helixtrans-65.3-40.5176.700000111.3A389 E390 E396 A397A389-A393 WeakPolarHBondContact O-CB 3.46Å; A389-A393 PolarHBondContact O-N 3.38Å; E390-A393 PolarHBondContact O-N 2.91Å; E390-A393 VanDerWaalsContact O-N 3.1Å; A393-E396 PolarHBondContact O-N 3.42Å; A393-A397 VanDerWaalsContact O-CB 3.31Å; A393-A397 WeakPolarHBondContact O-CB 3.49Å; A393-A397 PolarHBondContact O-N 3.48Å
394E96.2Very high95.7Very high113 Ų11396.4 Ų96.453%0.52849%0.491SS..Hα-helixtrans-64.8-40.4173.4-72.4179.6-174.200112.6E390 A397 R398E390-E394 WeakPolarHBondContact O-CG 3.35Å; E390-E394 PolarHBondContact O-N 3.06Å; E394-A397 PolarHBondContact O-N 3.47Å; E394-R398 WeakPolarHBondContact O-CB 3.37Å; E394-R398 WeakPolarHBondContact O-CG 3.5Å; E394-R398 PolarHBondContact O-N 2.94Å; E394-R398 IonicContact OE2-NH2 3.94Å
395E96.1Very high95.6Very high84 Ų8494.4 Ų94.439%0.39348%0.483SS..Hα-helixtrans-62.3-43.2173.7-79.4171.1-161.200111.8S391 K392 R398 K399S391-E395 WeakPolarHBondContact O-CG 3.41Å; S391-E395 PolarHBondContact O-N 2.99Å; K392-E395 PolarHBondContact O-N 3.07Å; E395-R398 PolarHBondContact O-N 3.23Å; E395-K399 WeakPolarHBondContact O-CG 3.5Å; E395-K399 PolarHBondContact O-N 3.32Å
396E94.2Very high95.6Very high110 Ų11092 Ų9251%0.51447%0.474SS..Hα-helixtrans-69.6-38.3178.6-158.259.4-155.700111.8K392 A393 R398 K399 G400K392-E396 WeakPolarHBondContact O-CB 3.39Å; K392-E396 PolarHBondContact O-N 2.99Å; A393-E396 PolarHBondContact O-N 3.42Å; E396-R398 VanDerWaalsContact C-N 3.33Å; E396-R398 PolarHBondContact O-N 2.98Å; E396-K399 PolarHBondContact O-N 3.39Å; E396-K399 IonicContact OE2-NZ 2.68Å; E396-K399 PolarHBondContact OE2-NZ 2.89Å; E396-G400 PolarHBondContact O-N 3.43Å
397A96.5Very high95.5Very high60 Ų6092.5 Ų92.550%0.49648%0.476SS..Hα-helixtrans-60.8-41.4171.500000111.8A393 E394 G400 V401A393-A397 VanDerWaalsContact O-CB 3.31Å; A393-A397 WeakPolarHBondContact O-CB 3.49Å; A393-A397 PolarHBondContact O-N 3.48Å; E394-A397 PolarHBondContact O-N 3.47Å; A397-G400 PolarHBondContact O-N 2.95Å; A397-V401 WeakPolarHBondContact O-CG2 3.32Å; A397-V401 PolarHBondContact O-N 2.93Å
398R96.2Very high95.5Very high140 Ų14093.8 Ų93.853%0.52848%0.476SS..Hα-helixtrans-61.7-42.6174.9-79.4-179.1-111.8127.5-2.7112.1E394 E395 E396 V401 Q402E394-R398 WeakPolarHBondContact O-CB 3.37Å; E394-R398 WeakPolarHBondContact O-CG 3.5Å; E394-R398 PolarHBondContact O-N 2.94Å; E394-R398 IonicContact OE2-NH2 3.94Å; E395-R398 PolarHBondContact O-N 3.23Å; E396-R398 VanDerWaalsContact C-N 3.33Å; E396-R398 PolarHBondContact O-N 2.98Å; R398-V401 PolarHBondContact O-N 3.48Å; R398-Q402 PolarHBondContact O-N 3.04Å; R398-Q402 VanDerWaalsContact O-N 3.07Å
399K95.8Very high95.5Very high90 Ų9094.5 Ų94.539%0.39148%0.477SS..Hα-helixtrans-65-41174-66.6177.8-153.8153.50111.9E395 E396 V401 Q402 F403E395-K399 WeakPolarHBondContact O-CG 3.5Å; E395-K399 PolarHBondContact O-N 3.32Å; E396-K399 PolarHBondContact O-N 3.39Å; E396-K399 IonicContact OE2-NZ 2.68Å; E396-K399 PolarHBondContact OE2-NZ 2.89Å; K399-V401 PolarHBondContact O-N 3.36Å; K399-Q402 WeakPolarHBondContact O-CB 3.25Å; K399-Q402 PolarHBondContact O-N 3.34Å; K399-Q402 VanDerWaalsContact O-N 3.14Å; K399-F403 HydrophobicContact CB-CE2 4.25Å; K399-F403 VanDerWaalsContact O-CD2 3.3Å; K399-F403 WeakPolarHBondContact O-CD2 3.42Å; K399-F403 WeakPolarHBondContact O-CG 3.32Å; K399-F403 PolarHBondContact O-N 3.3Å
400G94.5Very high95.5Very high29 Ų2997.4 Ų97.430%0.29949%0.485SS..Hα-helixtrans-55.8-50.3175.300000111.9E396 A397 Q402 F403 E404E396-G400 PolarHBondContact O-N 3.43Å; A397-G400 PolarHBondContact O-N 2.95Å; G400-Q402 VanDerWaalsContact C-N 3.3Å; G400-Q402 PolarHBondContact O-N 2.94Å; G400-F403 PolarHBondContact O-N 3.25Å; G400-E404 WeakPolarHBondContact O-CG 3.44Å; G400-E404 PolarHBondContact O-N 2.91Å
401V95.6Very high95.5Very high92 Ų9295.8 Ų95.856%0.55848%0.482SS*.Hα-helixtrans-60.7-38.2175.6173.80000111.9A397 R398 K399 L405A397-V401 WeakPolarHBondContact O-CG2 3.32Å; A397-V401 PolarHBondContact O-N 2.93Å; R398-V401 PolarHBondContact O-N 3.48Å; K399-V401 PolarHBondContact O-N 3.36Å; V401-L405 WeakPolarHBondContact O-CB 3.27Å; V401-L405 PolarHBondContact O-N 2.96Å
402Q96.4Very high95.5Very high108 Ų10899.4 Ų99.451%0.50549%0.493SS..Hα-helixtrans-63.1-48.5175.8-177.2-176.1-14.300111.8R398 K399 G400 E404 L405 E406R398-Q402 PolarHBondContact O-N 3.04Å; R398-Q402 VanDerWaalsContact O-N 3.07Å; K399-Q402 WeakPolarHBondContact O-CB 3.25Å; K399-Q402 PolarHBondContact O-N 3.34Å; K399-Q402 VanDerWaalsContact O-N 3.14Å; G400-Q402 VanDerWaalsContact C-N 3.3Å; G400-Q402 PolarHBondContact O-N 2.94Å; Q402-E404 VanDerWaalsContact C-N 3.34Å; Q402-E404 PolarHBondContact O-N 3.39Å; Q402-L405 WeakPolarHBondContact O-CB 3.43Å; Q402-L405 PolarHBondContact O-N 2.76Å; Q402-L405 VanDerWaalsContact O-N 3.15Å; Q402-E406 PolarHBondContact NE2-OE1 3.47Å; Q402-E406 WeakPolarHBondContact O-CG 3.25Å; Q402-E406 PolarHBondContact O-N 3.48Å
403F92.8Very high95.5Very high123 Ų12399.8 Ų99.854%0.53950%0.495SS..Hα-helixtrans-64.7-37.3178.4-67.2-42.7000112.4K399 G400 L405 E406 L407K399-F403 HydrophobicContact CB-CE2 4.25Å; K399-F403 VanDerWaalsContact O-CD2 3.3Å; K399-F403 WeakPolarHBondContact O-CD2 3.42Å; K399-F403 WeakPolarHBondContact O-CG 3.32Å; K399-F403 PolarHBondContact O-N 3.3Å; G400-F403 PolarHBondContact O-N 3.25Å; F403-L405 VanDerWaalsContact C-N 3.3Å; F403-L405 PolarHBondContact O-N 2.98Å; F403-E406 PolarHBondContact O-N 3.33Å; F403-L407 VanDerWaalsContact O-CB 3.31Å; F403-L407 WeakPolarHBondContact O-CB 3.38Å; F403-L407 PolarHBondContact O-N 2.93Å
404E96Very high95.4Very high102 Ų102102.9 Ų102.948%0.47750%0.499SS..Hα-helixtrans-60.9-39.9172.2-76.9-175-167.800112.4G400 Q402 L407 R408G400-E404 WeakPolarHBondContact O-CG 3.44Å; G400-E404 PolarHBondContact O-N 2.91Å; Q402-E404 VanDerWaalsContact C-N 3.34Å; Q402-E404 PolarHBondContact O-N 3.39Å; E404-L407 PolarHBondContact O-N 3.45Å; E404-R408 WeakPolarHBondContact O-CG 3.41Å; E404-R408 PolarHBondContact O-N 2.85Å; E404-R408 IonicContact OE2-CZ 3.09Å; E404-R408 IonicContact OE2-NH2 3.39Å; E404-R408 PolarHBondContact OE2-NH2 3.44Å
405L95.2Very high95.4Very high79 Ų79100.3 Ų100.341%0.41450%0.497SS..Hα-helixtrans-68.1-42.3177.6-173.6157.5000111.2V401 Q402 F403 L407 R408 K409V401-L405 WeakPolarHBondContact O-CB 3.27Å; V401-L405 PolarHBondContact O-N 2.96Å; Q402-L405 WeakPolarHBondContact O-CB 3.43Å; Q402-L405 PolarHBondContact O-N 2.76Å; Q402-L405 VanDerWaalsContact O-N 3.15Å; F403-L405 VanDerWaalsContact C-N 3.3Å; F403-L405 PolarHBondContact O-N 2.98Å; L405-L407 VanDerWaalsContact C-N 3.35Å; L405-R408 PolarHBondContact O-N 3.44Å; L405-K409 HydrophobicContact CD2-CD 3.72Å; L405-K409 HydrophobicContact CD2-CG 4.26Å; L405-K409 VanDerWaalsContact CD2-NZ 3.28Å; L405-K409 WeakPolarHBondContact O-CG 3.35Å; L405-K409 PolarHBondContact O-N 2.98Å
406E95.9Very high95.4Very high81 Ų81101.5 Ų101.538%0.37950%0.502SS..Hα-helixtrans-62.1-41.6174-71.8173.8-167.900111.7Q402 F403 K409 L410Q402-E406 PolarHBondContact NE2-OE1 3.47Å; Q402-E406 WeakPolarHBondContact O-CG 3.25Å; Q402-E406 PolarHBondContact O-N 3.48Å; F403-E406 PolarHBondContact O-N 3.33Å; E406-K409 PolarHBondContact O-N 3.42Å; E406-L410 WeakPolarHBondContact O-CG 3.33Å; E406-L410 PolarHBondContact O-N 3.22Å
407L92.3Very high95.4Very high110 Ų110102.3 Ų102.358%0.57651%0.507SS*.Hα-helixtrans-64.4-43.2174.9-171.969.2000111.7F403 E404 L405 K409 L410 T411F403-L407 VanDerWaalsContact O-CB 3.31Å; F403-L407 WeakPolarHBondContact O-CB 3.38Å; F403-L407 PolarHBondContact O-N 2.93Å; E404-L407 PolarHBondContact O-N 3.45Å; L405-L407 VanDerWaalsContact C-N 3.35Å; L407-K409 VanDerWaalsContact C-N 3.33Å; L407-K409 PolarHBondContact O-N 3.4Å; L407-L410 PolarHBondContact O-N 2.9Å; L407-T411 HydrophobicContact CG-CG2 4.5Å; L407-T411 WeakPolarHBondContact O-CB 3.35Å; L407-T411 WeakPolarHBondContact O-CG2 3.23Å; L407-T411 PolarHBondContact O-N 3.44Å; L407-T411 PolarHBondContact O-OG1 3.29Å
408R96.8Very high95.3Very high143 Ų143101.9 Ų101.954%0.5450%0.499SS..Hα-helixtrans-58.7-43.5172.9-77.9-172-152.191.26.2111.8E404 L405 L410 T411 E412E404-R408 WeakPolarHBondContact O-CG 3.41Å; E404-R408 PolarHBondContact O-N 2.85Å; E404-R408 IonicContact OE2-CZ 3.09Å; E404-R408 IonicContact OE2-NH2 3.39Å; E404-R408 PolarHBondContact OE2-NH2 3.44Å; L405-R408 PolarHBondContact O-N 3.44Å; R408-L410 PolarHBondContact O-N 3.21Å; R408-T411 VanDerWaalsContact CA-OG1 3.29Å; R408-T411 WeakPolarHBondContact CA-OG1 3.29Å; R408-T411 PolarHBondContact O-N 3.32Å; R408-T411 PolarHBondContact O-OG1 2.93Å; R408-E412 VanDerWaalsContact O-CB 3.31Å; R408-E412 WeakPolarHBondContact O-CB 3.43Å; R408-E412 PolarHBondContact O-N 2.93Å
409K96.5Very high95.3Very high129 Ų129102.1 Ų102.156%0.56151%0.506SS*.Hα-helixtrans-63.1-41.5176.4-75.3175.2174.4168.50112.7L405 E406 L407 K413L405-K409 HydrophobicContact CD2-CD 3.72Å; L405-K409 HydrophobicContact CD2-CG 4.26Å; L405-K409 VanDerWaalsContact CD2-NZ 3.28Å; L405-K409 WeakPolarHBondContact O-CG 3.35Å; L405-K409 PolarHBondContact O-N 2.98Å; E406-K409 PolarHBondContact O-N 3.42Å; L407-K409 VanDerWaalsContact C-N 3.33Å; L407-K409 PolarHBondContact O-N 3.4Å; K409-K413 VanDerWaalsContact O-CB 3.29Å; K409-K413 WeakPolarHBondContact O-CB 3.32Å; K409-K413 PolarHBondContact O-N 2.9Å
410L94.6Very high95.2Very high116 Ų116102 Ų10261%0.60751%0.507SS*.Hα-helixtrans-68.5-41.3178.2-73.8175000111.9E406 L407 R408 K413 E414E406-L410 WeakPolarHBondContact O-CG 3.33Å; E406-L410 PolarHBondContact O-N 3.22Å; L407-L410 PolarHBondContact O-N 2.9Å; R408-L410 PolarHBondContact O-N 3.21Å; L410-K413 PolarHBondContact O-N 3.3Å; L410-E414 WeakPolarHBondContact O-CB 3.36Å; L410-E414 PolarHBondContact O-N 2.89Å
411T96Very high95.2Very high67 Ų67106.6 Ų106.641%0.41152%0.515SS..Hα-helixtrans-67.8-38.8176.7490000112.3L407 R408 E414 A415L407-T411 HydrophobicContact CG-CG2 4.5Å; L407-T411 WeakPolarHBondContact O-CB 3.35Å; L407-T411 WeakPolarHBondContact O-CG2 3.23Å; L407-T411 PolarHBondContact O-N 3.44Å; L407-T411 PolarHBondContact O-OG1 3.29Å; R408-T411 VanDerWaalsContact CA-OG1 3.29Å; R408-T411 WeakPolarHBondContact CA-OG1 3.29Å; R408-T411 PolarHBondContact O-N 3.32Å; R408-T411 PolarHBondContact O-OG1 2.93Å; T411-E414 PolarHBondContact O-N 2.98Å; T411-A415 WeakPolarHBondContact O-CB 3.3Å; T411-A415 PolarHBondContact O-N 3.48Å
412E96.1Very high95.1Very high126 Ų126105.3 Ų105.359%0.58951%0.505SS*.Hα-helixtrans-62.4-44.9171.8-173.6170.9-151.700111R408 E414 A415 E416R408-E412 VanDerWaalsContact O-CB 3.31Å; R408-E412 WeakPolarHBondContact O-CB 3.43Å; R408-E412 PolarHBondContact O-N 2.93Å; E412-E414 PolarHBondContact O-N 3.31Å; E412-A415 WeakPolarHBondContact O-CB 3.42Å; E412-A415 PolarHBondContact O-N 3.49Å; E412-E416 WeakPolarHBondContact O-CG 3.32Å; E412-E416 PolarHBondContact O-N 2.96Å
413K96.1Very high95.1Very high131 Ų131106.9 Ų106.957%0.5751%0.507SS*.Hα-helixtrans-65-36.1175.9-169.7164.9-172.5106.90113.1K409 L410 M417K409-K413 VanDerWaalsContact O-CB 3.29Å; K409-K413 WeakPolarHBondContact O-CB 3.32Å; K409-K413 PolarHBondContact O-N 2.9Å; L410-K413 PolarHBondContact O-N 3.3Å; K413-M417 VanDerWaalsContact O-CG 3.25Å; K413-M417 WeakPolarHBondContact O-CG 3.39Å; K413-M417 PolarHBondContact O-N 3.37Å
414E94.6Very high95.2Very high128 Ų128105.5 Ų105.560%0.59850%0.504SS*.Hα-helixtrans-63.8-43.2172.1-176.7-173.818000111L410 T411 E412 M417 T418L410-E414 WeakPolarHBondContact O-CB 3.36Å; L410-E414 PolarHBondContact O-N 2.89Å; T411-E414 PolarHBondContact O-N 2.98Å; E412-E414 PolarHBondContact O-N 3.31Å; E414-M417 PolarHBondContact O-N 2.9Å; E414-T418 WeakPolarHBondContact O-CB 3.43Å; E414-T418 PolarHBondContact O-N 2.95Å; E414-T418 PolarHBondContact O-OG1 2.89Å
415A95.7Very high95.1Very high59 Ų59105.2 Ų105.249%0.48850%0.504SS..Hα-helixtrans-63.3-43.1176.600000112T411 E412 T418 Q419T411-A415 WeakPolarHBondContact O-CB 3.3Å; T411-A415 PolarHBondContact O-N 3.48Å; E412-A415 WeakPolarHBondContact O-CB 3.42Å; E412-A415 PolarHBondContact O-N 3.49Å; A415-T418 PolarHBondContact O-N 3.21Å; A415-Q419 WeakPolarHBondContact O-CB 3.33Å; A415-Q419 PolarHBondContact O-N 3.21Å
416E96.5Very high95Very high108 Ų108107.8 Ų107.851%0.50551%0.514SS..Hα-helixtrans-58.1-49.1173.1-72.5175.4173.100111.8E412 T418 Q419 E420E412-E416 WeakPolarHBondContact O-CG 3.32Å; E412-E416 PolarHBondContact O-N 2.96Å; E416-T418 VanDerWaalsContact C-N 3.29Å; E416-T418 PolarHBondContact O-N 3.21Å; E416-Q419 PolarHBondContact O-N 3.25Å; E416-E420 WeakPolarHBondContact O-CB 3.49Å; E416-E420 PolarHBondContact O-N 3.14Å
417M93.1Very high95Very high127 Ų127107.9 Ų107.963%0.62651%0.514SS*.Hα-helixtrans-64.7-34.6178.8-69.9-61.2-58.600112.1K413 E414 R421K413-M417 VanDerWaalsContact O-CG 3.25Å; K413-M417 WeakPolarHBondContact O-CG 3.39Å; K413-M417 PolarHBondContact O-N 3.37Å; E414-M417 PolarHBondContact O-N 2.9Å; M417-R421 VanDerWaalsContact O-CB 3.29Å; M417-R421 WeakPolarHBondContact O-CB 3.41Å; M417-R421 PolarHBondContact O-N 3.03Å
418T94.6Very high95Very high52 Ų52110.7 Ų110.732%0.31952%0.517SS..Hα-helixtrans-70.2-42.8176.5-56.70000111E414 A415 E416 R421 D422E414-T418 WeakPolarHBondContact O-CB 3.43Å; E414-T418 PolarHBondContact O-N 2.95Å; E414-T418 PolarHBondContact O-OG1 2.89Å; A415-T418 PolarHBondContact O-N 3.21Å; E416-T418 VanDerWaalsContact C-N 3.29Å; E416-T418 PolarHBondContact O-N 3.21Å; T418-R421 WeakPolarHBondContact O-CB 3.49Å; T418-R421 PolarHBondContact O-N 3.46Å; T418-D422 PolarHBondContact O-N 3.33Å
419Q95.5Very high94.8Very high145 Ų145110.4 Ų110.468%0.67852%0.52SS*.Hα-helixtrans-60.8-44.9174.5-176.2-179.326.600111.3A415 E416 D422 R423A415-Q419 WeakPolarHBondContact O-CB 3.33Å; A415-Q419 PolarHBondContact O-N 3.21Å; E416-Q419 PolarHBondContact O-N 3.25Å; Q419-D422 PolarHBondContact O-N 2.85Å; Q419-R423 WeakPolarHBondContact O-CB 3.41Å; Q419-R423 PolarHBondContact O-N 3.48Å
420E94.9Very high94.7Very high87 Ų87107.8 Ų107.841%0.40752%0.515SS..Hα-helixtrans-66.8-40177.9-170.459.2-154.500111.7E416 D422 R423 L424E416-E420 WeakPolarHBondContact O-CB 3.49Å; E416-E420 PolarHBondContact O-N 3.14Å; E420-D422 VanDerWaalsContact C-N 3.34Å; E420-D422 PolarHBondContact O-N 2.67Å; E420-R423 PolarHBondContact O-N 2.84Å; E420-L424 HydrophobicContact CG-CD1 4.43Å; E420-L424 WeakPolarHBondContact O-CG 3.47Å; E420-L424 PolarHBondContact O-N 2.87Å
421R93.3Very high94.6Very high125 Ų125107.4 Ų107.447%0.47251%0.513SS..Hα-helixtrans-57.7-46171.7179-167.361.3687.9111.4M417 T418 L424 M425M417-R421 VanDerWaalsContact O-CB 3.29Å; M417-R421 WeakPolarHBondContact O-CB 3.41Å; M417-R421 PolarHBondContact O-N 3.03Å; T418-R421 WeakPolarHBondContact O-CB 3.49Å; T418-R421 PolarHBondContact O-N 3.46Å; R421-L424 PolarHBondContact O-N 3.45Å; R421-M425 WeakPolarHBondContact O-CB 3.36Å; R421-M425 WeakPolarHBondContact O-CG 3.46Å; R421-M425 PolarHBondContact O-N 3.49Å
422D94.4Very high94.4Very high66 Ų66108.8 Ų108.835%0.35352%0.515SS..Hα-helixtrans-67.7-37.6180-75.1-31.4000112T418 Q419 E420 M425 Q426T418-D422 PolarHBondContact O-N 3.33Å; Q419-D422 PolarHBondContact O-N 2.85Å; E420-D422 VanDerWaalsContact C-N 3.34Å; E420-D422 PolarHBondContact O-N 2.67Å; D422-M425 PolarHBondContact O-N 3.33Å; D422-Q426 WeakPolarHBondContact O-CG 3.29Å; D422-Q426 PolarHBondContact O-N 3.37Å
423R95.5Very high94.2Very high141 Ų141106.1 Ų106.153%0.53251%0.505SS..Hα-helixtrans-60.2-51.3171.9-177.6-173.8178.6155.54.4111.7Q419 E420 M425 Q426 E427Q419-R423 WeakPolarHBondContact O-CB 3.41Å; Q419-R423 PolarHBondContact O-N 3.48Å; E420-R423 PolarHBondContact O-N 2.84Å; R423-M425 VanDerWaalsContact C-N 3.27Å; R423-M425 PolarHBondContact O-N 3.25Å; R423-Q426 WeakPolarHBondContact O-CB 3.3Å; R423-Q426 PolarHBondContact O-N 2.95Å; R423-Q426 VanDerWaalsContact O-N 3.12Å; R423-E427 IonicContact CZ-OE1 3.34Å; R423-E427 IonicContact NE-OE1 2.91Å; R423-E427 PolarHBondContact NE-OE1 3.3Å; R423-E427 VanDerWaalsContact NE-OE1 3.09Å; R423-E427 IonicContact NH2-OE1 3.89Å; R423-E427 WeakPolarHBondContact O-CG 3.5Å; R423-E427 PolarHBondContact O-N 2.93Å
424L94.7Very high94Very high93 Ų93103.8 Ų103.849%0.48750%0.498SS..Hα-helixtrans-62.6-35177.8-70.4173.1000112E420 R421 R428E420-L424 HydrophobicContact CG-CD1 4.43Å; E420-L424 WeakPolarHBondContact O-CG 3.47Å; E420-L424 PolarHBondContact O-N 2.87Å; R421-L424 PolarHBondContact O-N 3.45Å; L424-R428 VanDerWaalsContact O-CB 3.24Å; L424-R428 WeakPolarHBondContact O-CB 3.34Å; L424-R428 PolarHBondContact O-N 2.76Å
425M94.7Very high93.5Very high96 Ų96101 Ų10147%0.47349%0.49SS..Hα-helixtrans-65.5-40.6173.1-82.7-69.6-66.600112.3R421 D422 R423 K429R421-M425 WeakPolarHBondContact O-CB 3.36Å; R421-M425 WeakPolarHBondContact O-CG 3.46Å; R421-M425 PolarHBondContact O-N 3.49Å; D422-M425 PolarHBondContact O-N 3.33Å; R423-M425 VanDerWaalsContact C-N 3.27Å; R423-M425 PolarHBondContact O-N 3.25Å; M425-K429 WeakPolarHBondContact O-CB 3.44Å; M425-K429 PolarHBondContact O-N 2.91Å
426Q94Very high93.1Very high133 Ų133101.5 Ų101.562%0.62148%0.484SS*.Hα-helixtrans-66-46.6174-73.6173.711.600111.4D422 R423 R428 K429 T430D422-Q426 WeakPolarHBondContact O-CG 3.29Å; D422-Q426 PolarHBondContact O-N 3.37Å; R423-Q426 WeakPolarHBondContact O-CB 3.3Å; R423-Q426 PolarHBondContact O-N 2.95Å; R423-Q426 VanDerWaalsContact O-N 3.12Å; Q426-R428 VanDerWaalsContact C-N 3.35Å; Q426-R428 PolarHBondContact O-N 3.12Å; Q426-K429 WeakPolarHBondContact O-CB 3.43Å; Q426-K429 PolarHBondContact O-N 3.41Å; Q426-K429 VanDerWaalsContact O-N 3.1Å; Q426-T430 WeakPolarHBondContact O-CG2 3.45Å; Q426-T430 PolarHBondContact O-N 3.01Å; Q426-T430 PolarHBondContact O-OG1 2.8Å
427E95.1Very high92.6Very high83 Ų83102.3 Ų102.339%0.38849%0.488SS..Hα-helixtrans-58.8-46.8176.2-73.3177.5-17200110.8R423 K429 T430 L431R423-E427 IonicContact CZ-OE1 3.34Å; R423-E427 IonicContact NE-OE1 2.91Å; R423-E427 PolarHBondContact NE-OE1 3.3Å; R423-E427 VanDerWaalsContact NE-OE1 3.09Å; R423-E427 IonicContact NH2-OE1 3.89Å; R423-E427 WeakPolarHBondContact O-CG 3.5Å; R423-E427 PolarHBondContact O-N 2.93Å; E427-K429 VanDerWaalsContact C-N 3.32Å; E427-K429 PolarHBondContact O-N 3Å; E427-T430 WeakPolarHBondContact CA-OG1 3.38Å; E427-T430 PolarHBondContact O-N 3.34Å; E427-T430 PolarHBondContact O-OG1 3.46Å; E427-L431 WeakPolarHBondContact O-CG 3.5Å; E427-L431 PolarHBondContact O-N 3.24Å
428R91.7Very high92Very high169 Ų169101.4 Ų101.464%0.63849%0.485SS*.Hα-helixtrans-56.8-44.2173178.9-172.6164.5-159-4.8111.9L424 Q426 L431 Q432L424-R428 VanDerWaalsContact O-CB 3.24Å; L424-R428 WeakPolarHBondContact O-CB 3.34Å; L424-R428 PolarHBondContact O-N 2.76Å; Q426-R428 VanDerWaalsContact C-N 3.35Å; Q426-R428 PolarHBondContact O-N 3.12Å; R428-L431 PolarHBondContact O-N 3.07Å; R428-Q432 WeakPolarHBondContact O-CB 3.39Å; R428-Q432 PolarHBondContact O-N 3.04Å
429K93.9Very high91.2Very high137 Ų137104.5 Ų104.560%0.59650%0.496SS*.Hα-helixtrans-62.2-47.8178.2-179.8175177.3173.90111.2M425 Q426 E427 L431 Q432 D433M425-K429 WeakPolarHBondContact O-CB 3.44Å; M425-K429 PolarHBondContact O-N 2.91Å; Q426-K429 WeakPolarHBondContact O-CB 3.43Å; Q426-K429 PolarHBondContact O-N 3.41Å; Q426-K429 VanDerWaalsContact O-N 3.1Å; E427-K429 VanDerWaalsContact C-N 3.32Å; E427-K429 PolarHBondContact O-N 3Å; K429-L431 VanDerWaalsContact C-N 3.31Å; K429-L431 PolarHBondContact O-N 3.4Å; K429-Q432 WeakPolarHBondContact O-CB 3.33Å; K429-Q432 PolarHBondContact O-N 3.04Å; K429-Q432 VanDerWaalsContact O-N 3.1Å; K429-D433 VanDerWaalsContact O-CG 3.25Å; K429-D433 PolarHBondContact O-N 3.43Å
430T94.3Very high89.8Confident75 Ų75101.4 Ų101.446%0.4649%0.489SS..Hα-helixtrans-61.8-38.117856.40000112.8Q426 E427 D433 N434Q426-T430 WeakPolarHBondContact O-CG2 3.45Å; Q426-T430 PolarHBondContact O-N 3.01Å; Q426-T430 PolarHBondContact O-OG1 2.8Å; E427-T430 WeakPolarHBondContact CA-OG1 3.38Å; E427-T430 PolarHBondContact O-N 3.34Å; E427-T430 PolarHBondContact O-OG1 3.46Å; T430-D433 PolarHBondContact O-N 2.88Å; T430-N434 WeakPolarHBondContact O-CB 3.42Å; T430-N434 PolarHBondContact O-N 3.4Å; T430-N434 PolarHBondContact O-ND2 2.88Å
431L91.5Very high88.8Confident108 Ų108101.7 Ų101.757%0.56549%0.494SS*.Hα-helixtrans-67.3-38.4174.3-72.6172.4000111.8E427 R428 K429 N434 V435E427-L431 WeakPolarHBondContact O-CG 3.5Å; E427-L431 PolarHBondContact O-N 3.24Å; R428-L431 PolarHBondContact O-N 3.07Å; K429-L431 VanDerWaalsContact C-N 3.31Å; K429-L431 PolarHBondContact O-N 3.4Å; L431-N434 PolarHBondContact O-N 3.5Å; L431-V435 VanDerWaalsContact O-CG2 3.28Å; L431-V435 WeakPolarHBondContact O-CG2 3.38Å; L431-V435 PolarHBondContact O-N 2.95Å
432Q92.5Very high87.4Confident95 Ų95101.7 Ų101.744%0.44450%0.502SS..Hα-helixtrans-62.1-47.8173.4-174.164.649.500110.8R428 K429 N434 V435 D436R428-Q432 WeakPolarHBondContact O-CB 3.39Å; R428-Q432 PolarHBondContact O-N 3.04Å; K429-Q432 WeakPolarHBondContact O-CB 3.33Å; K429-Q432 PolarHBondContact O-N 3.04Å; K429-Q432 VanDerWaalsContact O-N 3.1Å; Q432-N434 VanDerWaalsContact C-N 3.32Å; Q432-N434 PolarHBondContact O-N 3.39Å; Q432-V435 PolarHBondContact O-N 3.32Å; Q432-V435 VanDerWaalsContact O-N 3.12Å; Q432-D436 PolarHBondContact NE2-OD1 3.27Å; Q432-D436 VanDerWaalsContact O-CG 3.22Å; Q432-D436 PolarHBondContact O-N 3.36Å
433D90.6Very high85.9Confident71 Ų71104.6 Ų104.638%0.3852%0.517SS..Hα-helixtrans-59.4-42.9177.9-63-20.7000110.8K429 T430 V435 D436 E437K429-D433 VanDerWaalsContact O-CG 3.25Å; K429-D433 PolarHBondContact O-N 3.43Å; T430-D433 PolarHBondContact O-N 2.88Å; D433-V435 PolarHBondContact O-N 3.1Å; D433-D436 PolarHBondContact O-N 2.94Å; D433-E437 WeakPolarHBondContact O-CG 3.47Å; D433-E437 PolarHBondContact O-N 2.76Å
434N92.1Very high84.4Confident82 Ų82104.3 Ų104.344%0.43952%0.522SS..Hα-helixtrans-63.5-39174.9-69.4-19.8000113T430 L431 Q432 D436 L438T430-N434 WeakPolarHBondContact O-CB 3.42Å; T430-N434 PolarHBondContact O-N 3.4Å; T430-N434 PolarHBondContact O-ND2 2.88Å; L431-N434 PolarHBondContact O-N 3.5Å; Q432-N434 VanDerWaalsContact C-N 3.32Å; Q432-N434 PolarHBondContact O-N 3.39Å; N434-D436 VanDerWaalsContact C-N 3.34Å; N434-L438 WeakPolarHBondContact O-CB 3.34Å; N434-L438 VanDerWaalsContact O-CG 3.27Å; N434-L438 WeakPolarHBondContact O-CG 3.29Å; N434-L438 PolarHBondContact O-N 3.43Å
435V85.4Confident82.6Confident69 Ų69104.7 Ų104.742%0.41853%0.528SS..Hα-helixtrans-65.4-42.6175.91670000110.2L431 Q432 D433 L438 Q439L431-V435 VanDerWaalsContact O-CG2 3.28Å; L431-V435 WeakPolarHBondContact O-CG2 3.38Å; L431-V435 PolarHBondContact O-N 2.95Å; Q432-V435 PolarHBondContact O-N 3.32Å; Q432-V435 VanDerWaalsContact O-N 3.12Å; D433-V435 PolarHBondContact O-N 3.1Å; V435-L438 PolarHBondContact O-N 3.3Å; V435-Q439 WeakPolarHBondContact O-CG 3.27Å; V435-Q439 PolarHBondContact O-N 3.03Å
436D87Confident80.7Confident69 Ų69103 Ų10337%0.36953%0.529SS..Hα-helixtrans-66-41178.5-64.3-10.2000110.5Q432 D433 N434 Q439 C440Q432-D436 PolarHBondContact NE2-OD1 3.27Å; Q432-D436 VanDerWaalsContact O-CG 3.22Å; Q432-D436 PolarHBondContact O-N 3.36Å; D433-D436 PolarHBondContact O-N 2.94Å; N434-D436 VanDerWaalsContact C-N 3.34Å; D436-Q439 PolarHBondContact O-N 2.91Å; D436-C440 PolarHBondContact O-N 2.8Å
437E86Confident78.4Confident125 Ų125103.7 Ų103.758%0.58454%0.537SS*.Hα-helixtrans-60.6-43.9172.3-77.4-177-177.900112.6D433 Q439 C440 L441D433-E437 WeakPolarHBondContact O-CG 3.47Å; D433-E437 PolarHBondContact O-N 2.76Å; E437-Q439 VanDerWaalsContact C-N 3.33Å; E437-Q439 PolarHBondContact O-N 2.87Å; E437-C440 WeakPolarHBondContact O-CB 3.33Å; E437-C440 PolarHBondContact O-N 3.28Å; E437-L441 PolarHBondContact O-N 3.45Å
438L80.8Confident75.7Confident109 Ų109105 Ų10557%0.57156%0.556SS**Hα-helixtrans-65-36.2176.4-74.3172.3000112.3N434 V435 L441 L442N434-L438 WeakPolarHBondContact O-CB 3.34Å; N434-L438 VanDerWaalsContact O-CG 3.27Å; N434-L438 WeakPolarHBondContact O-CG 3.29Å; N434-L438 PolarHBondContact O-N 3.43Å; V435-L438 PolarHBondContact O-N 3.3Å; L438-L441 PolarHBondContact O-N 2.85Å; L438-L442 PolarHBondContact O-N 3.33Å
439Q78.3Confident73.1Confident116 Ų116101.8 Ų101.854%0.54256%0.559SS.*Hα-helixtrans-65.7-38.8172.9-75.3-179.3-5.500111.7V435 D436 E437 L442 L443V435-Q439 WeakPolarHBondContact O-CG 3.27Å; V435-Q439 PolarHBondContact O-N 3.03Å; D436-Q439 PolarHBondContact O-N 2.91Å; E437-Q439 VanDerWaalsContact C-N 3.33Å; E437-Q439 PolarHBondContact O-N 2.87Å; Q439-L442 PolarHBondContact O-N 2.9Å; Q439-L443 PolarHBondContact O-N 3.37Å; Q439-L443 VanDerWaalsContact O-N 3.11Å
440C66Low69.9Low80 Ų8099.1 Ų99.154%0.54157%0.57SS.*Hα-helixtrans-61.5-46.6172.4-89.50000112.4D436 E437 L442 L443 E444D436-C440 PolarHBondContact O-N 2.8Å; E437-C440 WeakPolarHBondContact O-CB 3.33Å; E437-C440 PolarHBondContact O-N 3.28Å; C440-L442 VanDerWaalsContact C-N 3.31Å; C440-L442 PolarHBondContact O-N 3.29Å; C440-L443 WeakPolarHBondContact O-CB 3.41Å; C440-L443 PolarHBondContact O-N 2.92Å; C440-L443 VanDerWaalsContact O-N 3.1Å; C440-E444 PolarHBondContact O-N 2.87Å
441L72Confident67Low94 Ų94102.5 Ų102.549%0.49259%0.59SS.*Hα-helixtrans-64.1-34.2177.9-74.4168.7000113.1E437 L438 L443 E444 T445E437-L441 PolarHBondContact O-N 3.45Å; L438-L441 PolarHBondContact O-N 2.85Å; L441-L443 VanDerWaalsContact C-N 3.35Å; L441-E444 PolarHBondContact O-N 3.45Å; L441-T445 WeakPolarHBondContact O-CB 3.4Å; L441-T445 PolarHBondContact O-N 3.1Å; L441-T445 PolarHBondContact O-OG1 3.36Å
442L64.3Low64Low125 Ų125101.7 Ų101.765%0.65460%0.599SS**Hα-helixtrans-64.1-39.7172.1-101.6155.9000111.7L438 Q439 C440 A446L438-L442 PolarHBondContact O-N 3.33Å; Q439-L442 PolarHBondContact O-N 2.9Å; C440-L442 VanDerWaalsContact C-N 3.31Å; C440-L442 PolarHBondContact O-N 3.29Å; L442-A446 PolarHBondContact O-N 3.03Å; L442-A446 VanDerWaalsContact O-N 3.16Å
443L64Low60.9Low127 Ų127105.6 Ų105.667%0.66562%0.618SS**Hα-helixtrans-65.4-40.3173.1-107.782.9000112.3Q439 C440 L441 A446Q439-L443 PolarHBondContact O-N 3.37Å; Q439-L443 VanDerWaalsContact O-N 3.11Å; C440-L443 WeakPolarHBondContact O-CB 3.41Å; C440-L443 PolarHBondContact O-N 2.92Å; C440-L443 VanDerWaalsContact O-N 3.1Å; L441-L443 VanDerWaalsContact C-N 3.35Å; L443-A446 PolarHBondContact O-N 3.27Å
444E63.2Low58.1Low134 Ų134108.8 Ų108.863%0.62664%0.635SS**Hα-helixtrans-67.2-38.8177.8-71.7179.8172.700112.2C440 L441 A446 N447C440-E444 PolarHBondContact O-N 2.87Å; L441-E444 PolarHBondContact O-N 3.45Å; E444-A446 VanDerWaalsContact C-N 3.34Å; E444-A446 PolarHBondContact O-N 2.88Å; E444-N447 PolarHBondContact O-N 2.92Å
445T57.6Low54.9Low101 Ų101110.3 Ų110.362%0.6265%0.652SS**Hα-helixtrans-67.7-34.5177.7-57.20000112L441 N447 S448L441-T445 WeakPolarHBondContact O-CB 3.4Å; L441-T445 PolarHBondContact O-N 3.1Å; L441-T445 PolarHBondContact O-OG1 3.36Å; T445-N447 PolarHBondContact O-N 3.26Å; T445-S448 PolarHBondContact O-OG 3.26Å
446A54.8Low52.3Low61 Ų61114.4 Ų114.450%0.50467%0.671SS.*Hα-helixtrans-65.5-20.9176.500000113.5L442 L443 E444 S448L442-A446 PolarHBondContact O-N 3.03Å; L442-A446 VanDerWaalsContact O-N 3.16Å; L443-A446 PolarHBondContact O-N 3.27Å; E444-A446 VanDerWaalsContact C-N 3.34Å; E444-A446 PolarHBondContact O-N 2.88Å; A446-S448 PolarHBondContact O-N 3.4Å
447N45.1Very low49.5Very low148 Ų148118.8 Ų118.879%0.79169%0.694SS**THydrogen-bonded Turntrans-88.315.5-175.2-87-9.5000115.7E444 T445E444-N447 PolarHBondContact O-N 2.92Å; T445-N447 PolarHBondContact O-N 3.26Å
448S39.6Very low46.8Very low111 Ų111118.8 Ų118.878%0.77670%0.702SS**THydrogen-bonded Turntrans-102.63.9173.166.20000115.6T445 A446T445-S448 PolarHBondContact O-OG 3.26Å; A446-S448 PolarHBondContact O-N 3.4Å
449S35.7Very low44.2Very low100 Ų100117.6 Ų117.670%0.69971%0.708SS**SBendtrans-122105171.958.50000111.4
450G27Very low41.9Very low81 Ų81117.7 Ų117.784%0.83572%0.722SS**  trans-86.8117.1-177.100000114.6
451V33.1Very low40.4Very low146 Ų146119.5 Ų119.589%0.88573%0.733SS**  trans-138.1125.3139.5172.70000105.9
452A28Very low38.6Very low91 Ų91119.1 Ų119.175%0.75275%0.751SS**  trans-86.7141.4-171.400000113
453Q28.6Very low37.5Very low177 Ų177116.7 Ų116.783%0.82775%0.749SS**  trans-160.6122.6146.6-130165.5-23.500113.3
454N30.4Very low36.6Very low139 Ų139116.6 Ų116.674%0.74375%0.749SS**  trans48.2111.5147.5-61.9-7.2000119.5
455S25.7Very low36.2Very low114 Ų114112.9 Ų112.980%0.79773%0.733SS**  60.3102.379.3-169.80000114.3
456L32Very low36.1Very low154 Ų154114.6 Ų114.681%0.80674%0.738SS**  trans-167.4107136.2-158.565.8000111.3V458L456-V458 HydrophobicContact CD2-CG2 4.38Å; L456-V458 HydrophobicContact CG-CG2 4.32Å
457D26.7Very low36.4Very low161 Ų161115.1 Ų115.186%0.86174%0.735SS**  trans-68124.4157.9-90.4-42.9000109.5
458V30.5Very low37Very low125 Ų125111.4 Ų111.476%0.75872%0.717SS**  trans-141.198.2150.71800000108.3L456L456-V458 HydrophobicContact CD2-CG2 4.38Å; L456-V458 HydrophobicContact CG-CG2 4.32Å
459A25.5Very low37.9Very low85 Ų85109.1 Ų109.170%0.70270%0.695SS**  trans-64.3165.6153.200000110.8
460S29.4Very low39Very low118 Ų118107.8 Ų107.883%0.82569%0.691SS**  trans104.7147.1152.2-1290000117.1
461P35.3Very low40.5Very low118 Ų118111 Ų11177%0.76669%0.688SS**  trans-93.2159.4-147.537.4-36000114.3
462G33.1Very low41.9Very low85 Ų85105.2 Ų105.288%0.87665%0.652SS**  trans77.768.4149.100000115.1
463A42.2Very low43.5Very low75 Ų75104 Ų10462%0.6264%0.643SS**  trans-118.1123.2163.900000110.6
464D45.5Very low45.1Very low124 Ų124103.5 Ų103.566%0.66365%0.646SS**  trans-42164.5178.2-134.9-29.1000115.9D466 T467D464-D466 PolarHBondContact O-N 2.92Å; D464-T467 PolarHBondContact O-N 3.48Å; D464-T467 PolarHBondContact O-OG1 2.96Å
465M54.5Low46.9Very low57 Ų5798.2 Ų98.228%0.28162%0.621SS.*Hα-helixtrans-32.5-34178.6-163.186.1172.200116T467 V468 M469 L484 Y487M465-T467 VanDerWaalsContact C-N 3.27Å; M465-T467 PolarHBondContact O-N 3.35Å; M465-V468 PolarHBondContact O-N 2.94Å; M465-M469 PolarHBondContact O-N 3.19Å; M465-L484 HydrophobicContact CE-CD1 3.31Å; M465-Y487 HydrophobicContact CE-CD1 4.17Å; M465-Y487 HydrophobicContact CE-CE1 4.4Å; M465-Y487 HydrophobicContact SD-CD1 3.79Å; M465-Y487 HydrophobicContact SD-CD2 4.48Å; M465-Y487 HydrophobicContact SD-CE1 3.54Å; M465-Y487 VanDerWaalsContact SD-CE1 3.54Å; M465-Y487 HydrophobicContact SD-CE2 4.28Å; M465-Y487 HydrophobicContact SD-CG 4.25Å
466D55Low49.2Very low137 Ų13796.3 Ų96.373%0.73361%0.606SS**Hα-helixtrans-63.5-30.7-178.6-75.8-11.8000113D464 A470D464-D466 PolarHBondContact O-N 2.92Å; D466-A470 VanDerWaalsContact O-CB 3.29Å; D466-A470 WeakPolarHBondContact O-CB 3.35Å; D466-A470 PolarHBondContact O-N 3.4Å
467T60.7Low51.2Low71 Ų7193.6 Ų93.644%0.43660%0.596SS.*Hα-helixtrans-73.3-42.4179.3-45.10000111.7D464 M465 M469 A470 L471D464-T467 PolarHBondContact O-N 3.48Å; D464-T467 PolarHBondContact O-OG1 2.96Å; M465-T467 VanDerWaalsContact C-N 3.27Å; M465-T467 PolarHBondContact O-N 3.35Å; T467-M469 VanDerWaalsContact C-N 3.33Å; T467-A470 PolarHBondContact O-N 2.83Å; T467-L471 PolarHBondContact O-N 3.4Å
468V58.3Low53.5Low70 Ų7092.3 Ų92.342%0.42459%0.585SS.*Hα-helixtrans-69.2-36.2178.6178.90000110.1M465 V472 L483M465-V468 PolarHBondContact O-N 2.94Å; V468-V472 WeakPolarHBondContact O-CB 3.43Å; V468-V472 WeakPolarHBondContact O-CG2 3.45Å; V468-V472 PolarHBondContact O-N 2.89Å; V468-L483 HydrophobicContact CG1-CD2 3.54Å; V468-L483 HydrophobicContact CG1-CG 4.39Å
469M58.5Low55.7Low64 Ų6490.8 Ų90.832%0.31557%0.571SS.*Hα-helixtrans-76.2-27.7177.9-122.754.9-169.300113.7M465 T467 V472 A473 K480M465-M469 PolarHBondContact O-N 3.19Å; T467-M469 VanDerWaalsContact C-N 3.33Å; M469-V472 PolarHBondContact O-N 3.16Å; M469-A473 PolarHBondContact O-N 3.24Å; M469-K480 HydrophobicContact CE-CB 4.17Å; M469-K480 HydrophobicContact CE-CD 4.47Å; M469-K480 HydrophobicContact CE-CG 4.03Å
470A58.6Low57.9Low72 Ų7290 Ų9060%0.59555%0.552SS**Hα-helixtrans-68.8-39.6171.600000112.6D466 T467 V472 A473D466-A470 VanDerWaalsContact O-CB 3.29Å; D466-A470 WeakPolarHBondContact O-CB 3.35Å; D466-A470 PolarHBondContact O-N 3.4Å; T467-A470 PolarHBondContact O-N 2.83Å; A470-V472 PolarHBondContact O-N 2.82Å; A470-A473 WeakPolarHBondContact O-CB 3.29Å; A470-A473 PolarHBondContact O-N 3.06Å
471L58.9Low60.1Low148 Ų14889.8 Ų89.878%0.77554%0.538SS*.Hα-helixtrans-69.6-20.8176.9-73.3167.1000113.3T467T467-L471 PolarHBondContact O-N 3.4Å
472V62.9Low62.2Low24 Ų2490.6 Ų90.615%0.14553%0.53CS..THydrogen-bonded Turntrans-102.99.8-176-178.10000110.9V468 M469 A470 D474 A475 K480 L483V468-V472 WeakPolarHBondContact O-CB 3.43Å; V468-V472 WeakPolarHBondContact O-CG2 3.45Å; V468-V472 PolarHBondContact O-N 2.89Å; M469-V472 PolarHBondContact O-N 3.16Å; A470-V472 PolarHBondContact O-N 2.82Å; V472-D474 PolarHBondContact O-N 3.02Å; V472-D474 VanDerWaalsContact O-N 3.1Å; V472-A475 HydrophobicContact CB-CB 4.4Å; V472-A475 HydrophobicContact CG1-CB 3.46Å; V472-A475 VanDerWaalsContact CG1-CB 3.46Å; V472-A475 WeakPolarHBondContact O-CB 3.49Å; V472-A475 PolarHBondContact O-N 2.96Å; V472-K480 HydrophobicContact CG1-CG 3.62Å; V472-K480 WeakPolarHBondContact O-CE 3.44Å; V472-K480 PolarHBondContact O-NZ 3.4Å; V472-L483 HydrophobicContact CG2-CD2 3.97Å
473A61.3Low64.4Low67 Ų6789.7 Ų89.755%0.55450%0.504SS*.THydrogen-bonded Turntrans-52.7-37.9-176.400000113.3M469 A470 K480M469-A473 PolarHBondContact O-N 3.24Å; A470-A473 WeakPolarHBondContact O-CB 3.29Å; A470-A473 PolarHBondContact O-N 3.06Å; A473-K480 PolarHBondContact O-NZ 2.97Å
474D63Low66.1Low166 Ų16689.7 Ų89.789%0.88849%0.493SS*.THydrogen-bonded Turntrans-100.210.6-178.4-147.925.8000114.5V472V472-D474 PolarHBondContact O-N 3.02Å; V472-D474 VanDerWaalsContact O-N 3.1Å
475A67.6Low67.8Low27 Ų2791.5 Ų91.522%0.22349%0.491CS..SBendtrans-82.2146.717900000112.7V472 I479V472-A475 HydrophobicContact CB-CB 4.4Å; V472-A475 HydrophobicContact CG1-CB 3.46Å; V472-A475 VanDerWaalsContact CG1-CB 3.46Å; V472-A475 WeakPolarHBondContact O-CB 3.49Å; V472-A475 PolarHBondContact O-N 2.96Å; A475-I479 HydrophobicContact CB-CB 4.41Å; A475-I479 HydrophobicContact CB-CG2 4.45Å
476P73.4Confident68.9Low75 Ų7592.5 Ų92.549%0.48750%0.497SS..  trans-48.4144.7170-26.431.5000113.4E478 I479 K480P476-E478 PolarHBondContact O-N 3.44Å; P476-I479 HydrophobicContact CB-CG1 4.42Å; P476-I479 HydrophobicContact CG-CD1 4.27Å; P476-I479 WeakPolarHBondContact O-CB 3.44Å; P476-I479 PolarHBondContact O-N 3.45Å; P476-K480 PolarHBondContact O-N 3.35Å
477V73.5Confident70.1Confident97 Ų9791.4 Ų91.459%0.58848%0.483SS*.Hα-helixtrans-55.6-34.8-177.2145.30000112.7I479 K480 Q481V477-I479 VanDerWaalsContact C-N 3.29Å; V477-I479 PolarHBondContact O-N 3.4Å; V477-K480 PolarHBondContact O-N 3.25Å; V477-Q481 PolarHBondContact O-N 2.93Å
478E76Confident71Confident134 Ų13493.1 Ų93.163%0.62649%0.486SS*.Hα-helixtrans-63-36.8178.5-64.276.9-166.900111.7P476 K482P476-E478 PolarHBondContact O-N 3.44Å; E478-K482 WeakPolarHBondContact O-CB 3.36Å; E478-K482 PolarHBondContact O-N 2.95Å
479I76.4Confident72.2Confident93 Ų9394.9 Ų94.948%0.47749%0.49SS..Hα-helixtrans-71.8-44178.2-58.2-174.8000109.8A475 P476 V477 Q481 K482 L483A475-I479 HydrophobicContact CB-CB 4.41Å; A475-I479 HydrophobicContact CB-CG2 4.45Å; P476-I479 HydrophobicContact CB-CG1 4.42Å; P476-I479 HydrophobicContact CG-CD1 4.27Å; P476-I479 WeakPolarHBondContact O-CB 3.44Å; P476-I479 PolarHBondContact O-N 3.45Å; V477-I479 VanDerWaalsContact C-N 3.29Å; V477-I479 PolarHBondContact O-N 3.4Å; I479-Q481 VanDerWaalsContact C-N 3.35Å; I479-Q481 PolarHBondContact O-N 3.5Å; I479-K482 PolarHBondContact O-N 3.47Å; I479-L483 VanDerWaalsContact O-CB 3.3Å; I479-L483 WeakPolarHBondContact O-CB 3.46Å; I479-L483 PolarHBondContact O-N 2.94Å
480K72Confident73.1Confident67 Ų6795.8 Ų95.829%0.29150%0.496SS..Hα-helixtrans-57.5-45.3174.2-78.9-179.5-178.6166.50111.9M469 V472 A473 P476 V477 L484M469-K480 HydrophobicContact CE-CB 4.17Å; M469-K480 HydrophobicContact CE-CD 4.47Å; M469-K480 HydrophobicContact CE-CG 4.03Å; V472-K480 HydrophobicContact CG1-CG 3.62Å; V472-K480 WeakPolarHBondContact O-CE 3.44Å; V472-K480 PolarHBondContact O-NZ 3.4Å; A473-K480 PolarHBondContact O-NZ 2.97Å; P476-K480 PolarHBondContact O-N 3.35Å; V477-K480 PolarHBondContact O-N 3.25Å; K480-L484 WeakPolarHBondContact O-CB 3.24Å; K480-L484 PolarHBondContact O-N 2.84Å
481Q75.1Confident74.2Confident115 Ų115100 Ų10054%0.53750%0.497SS..Hα-helixtrans-66.9-41.7177.8-91.2-171.2-7.800113.2V477 I479 L484 R485V477-Q481 PolarHBondContact O-N 2.93Å; I479-Q481 VanDerWaalsContact C-N 3.35Å; I479-Q481 PolarHBondContact O-N 3.5Å; Q481-L484 PolarHBondContact O-N 3.49Å; Q481-R485 PolarHBondContact O-N 3.43Å
482K80.3Confident75.1Confident135 Ų13598.7 Ų98.759%0.58749%0.49SS*.Hα-helixtrans-63.8-43.7178.4-166.387.5179.3-168.60110.7E478 I479 L484 R485 L486E478-K482 WeakPolarHBondContact O-CB 3.36Å; E478-K482 PolarHBondContact O-N 2.95Å; I479-K482 PolarHBondContact O-N 3.47Å; K482-L484 VanDerWaalsContact C-N 3.35Å; K482-L484 PolarHBondContact O-N 3.35Å; K482-R485 PolarHBondContact O-N 2.97Å; K482-L486 HydrophobicContact CG-CD1 4.01Å; K482-L486 WeakPolarHBondContact O-CB 3.49Å; K482-L486 WeakPolarHBondContact O-CG 3.36Å; K482-L486 PolarHBondContact O-N 3.4Å
483L78.3Confident75.6Confident65 Ų65101.9 Ų101.934%0.3451%0.505SS..Hα-helixtrans-63.2-41.6178-165.667.1000111.4V468 V472 I479 L486 Y487V468-L483 HydrophobicContact CG1-CD2 3.54Å; V468-L483 HydrophobicContact CG1-CG 4.39Å; V472-L483 HydrophobicContact CG2-CD2 3.97Å; I479-L483 VanDerWaalsContact O-CB 3.3Å; I479-L483 WeakPolarHBondContact O-CB 3.46Å; I479-L483 PolarHBondContact O-N 2.94Å; L483-L486 PolarHBondContact O-N 2.9Å; L483-Y487 VanDerWaalsContact O-CB 3.28Å; L483-Y487 WeakPolarHBondContact O-CB 3.36Å; L483-Y487 PolarHBondContact O-N 3.47Å
484L78.7Confident76.4Confident76 Ų76107.3 Ų107.340%0.39851%0.512SS..Hα-helixtrans-64.4-42.3175.9-158.178.6000112.7M465 K480 Q481 K482 Y487 Q488M465-L484 HydrophobicContact CE-CD1 3.31Å; K480-L484 WeakPolarHBondContact O-CB 3.24Å; K480-L484 PolarHBondContact O-N 2.84Å; Q481-L484 PolarHBondContact O-N 3.49Å; K482-L484 VanDerWaalsContact C-N 3.35Å; K482-L484 PolarHBondContact O-N 3.35Å; L484-Y487 PolarHBondContact O-N 3.42Å; L484-Q488 PolarHBondContact O-N 3.42Å; L484-Q488 VanDerWaalsContact O-N 3.08Å
485R80.5Confident76.9Confident162 Ų162102.8 Ų102.861%0.61149%0.493SS*.Hα-helixtrans-64.5-48.5174.2-87-165.4-168.7114.8-0.1112Q481 K482 Y487 Q488 E489Q481-R485 PolarHBondContact O-N 3.43Å; K482-R485 PolarHBondContact O-N 2.97Å; R485-Y487 PolarHBondContact O-N 2.97Å; R485-Q488 PolarHBondContact O-N 2.87Å; R485-Q488 VanDerWaalsContact O-N 3.16Å; R485-E489 WeakPolarHBondContact O-CB 3.41Å; R485-E489 PolarHBondContact O-N 2.96Å
486L78.8Confident77.4Confident77 Ų77110.3 Ų110.340%0.40352%0.516SS..Hα-helixtrans-61.4-34179.4-77.4169.4000111.4K482 L483 N490K482-L486 HydrophobicContact CG-CD1 4.01Å; K482-L486 WeakPolarHBondContact O-CB 3.49Å; K482-L486 WeakPolarHBondContact O-CG 3.36Å; K482-L486 PolarHBondContact O-N 3.4Å; L483-L486 PolarHBondContact O-N 2.9Å; L486-N490 WeakPolarHBondContact O-CB 3.35Å; L486-N490 PolarHBondContact O-N 3.5Å
487Y80Confident77.3Confident115 Ų115111.3 Ų111.345%0.45152%0.516SS..Hα-helixtrans-67-45.9173.9-173-99.7000112.3M465 L483 L484 R485 E489 N490 R491M465-Y487 HydrophobicContact CE-CD1 4.17Å; M465-Y487 HydrophobicContact CE-CE1 4.4Å; M465-Y487 HydrophobicContact SD-CD1 3.79Å; M465-Y487 HydrophobicContact SD-CD2 4.48Å; M465-Y487 HydrophobicContact SD-CE1 3.54Å; M465-Y487 VanDerWaalsContact SD-CE1 3.54Å; M465-Y487 HydrophobicContact SD-CE2 4.28Å; M465-Y487 HydrophobicContact SD-CG 4.25Å; L483-Y487 VanDerWaalsContact O-CB 3.28Å; L483-Y487 WeakPolarHBondContact O-CB 3.36Å; L483-Y487 PolarHBondContact O-N 3.47Å; L484-Y487 PolarHBondContact O-N 3.42Å; R485-Y487 PolarHBondContact O-N 2.97Å; Y487-E489 VanDerWaalsContact C-N 3.35Å; Y487-E489 PolarHBondContact O-N 2.87Å; Y487-N490 PolarHBondContact O-N 2.92Å; Y487-R491 WeakPolarHBondContact O-CB 3.25Å; Y487-R491 PolarHBondContact O-N 3.19Å
488Q79Confident77.2Confident106 Ų106110.7 Ų110.750%0.49551%0.513SS..Hα-helixtrans-62.5-41.2174.2-78-178.1-19.500112.4L484 R485 R491 L492L484-Q488 PolarHBondContact O-N 3.42Å; L484-Q488 VanDerWaalsContact O-N 3.08Å; R485-Q488 PolarHBondContact O-N 2.87Å; R485-Q488 VanDerWaalsContact O-N 3.16Å; Q488-R491 PolarHBondContact O-N 3.47Å; Q488-L492 PolarHBondContact O-N 3.27Å
489E83.4Confident77Confident107 Ų107107.2 Ų107.250%0.550%0.504SS..Hα-helixtrans-65.5-46.4177.3-173.1176.3-170.800111.3R485 Y487 R491 L492 L493R485-E489 WeakPolarHBondContact O-CB 3.41Å; R485-E489 PolarHBondContact O-N 2.96Å; Y487-E489 VanDerWaalsContact C-N 3.35Å; Y487-E489 PolarHBondContact O-N 2.87Å; E489-R491 VanDerWaalsContact C-N 3.28Å; E489-R491 PolarHBondContact O-N 2.66Å; E489-L492 PolarHBondContact O-N 3.48Å; E489-L493 HydrophobicContact CG-CD1 4.17Å; E489-L493 WeakPolarHBondContact O-CB 3.36Å; E489-L493 WeakPolarHBondContact O-CG 3.49Å; E489-L493 PolarHBondContact O-N 3.22Å
490N78.3Confident76.6Confident83 Ų83108.8 Ų108.844%0.44451%0.509SS..Hα-helixtrans-60.6-37.9174.3-107.4-82.6000112.2L486 Y487 L493 R494L486-N490 WeakPolarHBondContact O-CB 3.35Å; L486-N490 PolarHBondContact O-N 3.5Å; Y487-N490 PolarHBondContact O-N 2.92Å; N490-L493 PolarHBondContact O-N 2.91Å; N490-R494 WeakPolarHBondContact O-CB 3.21Å; N490-R494 VanDerWaalsContact O-CG 3.28Å; N490-R494 WeakPolarHBondContact O-CG 3.36Å; N490-R494 PolarHBondContact O-N 2.92Å
491R80.4Confident76Confident161 Ų161112.1 Ų112.161%0.60852%0.524SS*.Hα-helixtrans-63.9-43.9176.1-167178.874.8177.24.9111.4Y487 Q488 E489 R494 S495Y487-R491 WeakPolarHBondContact O-CB 3.25Å; Y487-R491 PolarHBondContact O-N 3.19Å; Q488-R491 PolarHBondContact O-N 3.47Å; E489-R491 VanDerWaalsContact C-N 3.28Å; E489-R491 PolarHBondContact O-N 2.66Å; R491-R494 PolarHBondContact O-N 3.36Å; R491-S495 PolarHBondContact O-N 2.96Å; R491-S495 VanDerWaalsContact O-N 3.1Å; R491-S495 PolarHBondContact O-OG 3Å
492L77.4Confident75.4Confident121 Ų121113.5 Ų113.563%0.63453%0.53SS*.Hα-helixtrans-65.9-43.4175.9-81.6162.9000112.3Q488 E489 R494 S495 R496Q488-L492 PolarHBondContact O-N 3.27Å; E489-L492 PolarHBondContact O-N 3.48Å; L492-R494 VanDerWaalsContact C-N 3.34Å; L492-R494 PolarHBondContact O-N 3.19Å; L492-S495 PolarHBondContact O-N 3.37Å; L492-R496 PolarHBondContact O-N 3.34Å
493L74.3Confident74.3Confident90 Ų90109.9 Ų109.947%0.47152%0.521SS..Hα-helixtrans-62.4-41.3176.8-72.8172.7000111.4E489 N490 R496 L497E489-L493 HydrophobicContact CG-CD1 4.17Å; E489-L493 WeakPolarHBondContact O-CB 3.36Å; E489-L493 WeakPolarHBondContact O-CG 3.49Å; E489-L493 PolarHBondContact O-N 3.22Å; N490-L493 PolarHBondContact O-N 2.91Å; L493-R496 PolarHBondContact O-N 2.9Å; L493-L497 WeakPolarHBondContact O-CB 3.47Å; L493-L497 PolarHBondContact O-N 3.47Å
494R77.2Confident73.2Confident181 Ų181110.5 Ų110.568%0.68353%0.528SS*.Hα-helixtrans-62.3-41.9174.5-75.7178179.4-124.21.4112.1N490 R491 L492 L497 T498N490-R494 WeakPolarHBondContact O-CB 3.21Å; N490-R494 VanDerWaalsContact O-CG 3.28Å; N490-R494 WeakPolarHBondContact O-CG 3.36Å; N490-R494 PolarHBondContact O-N 2.92Å; R491-R494 PolarHBondContact O-N 3.36Å; L492-R494 VanDerWaalsContact C-N 3.34Å; L492-R494 PolarHBondContact O-N 3.19Å; R494-L497 PolarHBondContact O-N 2.91Å; R494-T498 PolarHBondContact O-N 2.86Å; R494-T498 VanDerWaalsContact O-N 3.08Å; R494-T498 PolarHBondContact O-OG1 2.91Å; R494-T498 VanDerWaalsContact O-OG1 3.06Å
495S74Confident72Confident72 Ų72110.3 Ų110.350%0.50353%0.533SS..Hα-helixtrans-64.3-37173.1-720000113.1R491 L492 T498 S499R491-S495 PolarHBondContact O-N 2.96Å; R491-S495 VanDerWaalsContact O-N 3.1Å; R491-S495 PolarHBondContact O-OG 3Å; L492-S495 PolarHBondContact O-N 3.37Å; S495-T498 WeakPolarHBondContact CA-OG1 3.39Å; S495-T498 PolarHBondContact O-OG1 3.45Å; S495-S499 PolarHBondContact O-N 3.14Å; S495-S499 PolarHBondContact O-OG 3.37Å
496R78Confident70.7Confident185 Ų185107.9 Ų107.970%0.69853%0.533SS*.Hα-helixtrans-68.5-43.2177.5-128.3179.7-170.3-174.11.3111.7L492 L493 T498 S499 E500L492-R496 PolarHBondContact O-N 3.34Å; L493-R496 PolarHBondContact O-N 2.9Å; R496-T498 VanDerWaalsContact C-N 3.33Å; R496-T498 PolarHBondContact O-N 3.4Å; R496-S499 WeakPolarHBondContact CA-OG 3.39Å; R496-S499 PolarHBondContact O-N 3.43Å; R496-S499 VanDerWaalsContact O-N 3.16Å; R496-S499 PolarHBondContact O-OG 3.18Å; R496-E500 WeakPolarHBondContact O-CB 3.43Å; R496-E500 PolarHBondContact O-N 3.02Å
497L72.4Confident69.4Low95 Ų95109.6 Ų109.650%0.49754%0.542SS..Hα-helixtrans-69.1-32.4-179.1-147.1149.4000111.6L493 R494 K501L493-L497 WeakPolarHBondContact O-CB 3.47Å; L493-L497 PolarHBondContact O-N 3.47Å; R494-L497 PolarHBondContact O-N 2.91Å; L497-K501 HydrophobicContact CD2-CD 4.17Å; L497-K501 HydrophobicContact CD2-CG 4.45Å; L497-K501 WeakPolarHBondContact O-CB 3.3Å; L497-K501 WeakPolarHBondContact O-CG 3.39Å; L497-K501 PolarHBondContact O-N 2.88Å
498T71.3Confident67.9Low85 Ų85111.6 Ų111.652%0.52156%0.556SS.*Hα-helixtrans-69-41.1168.948.50000112R494 S495 R496 E500 K501 E502R494-T498 PolarHBondContact O-N 2.86Å; R494-T498 VanDerWaalsContact O-N 3.08Å; R494-T498 PolarHBondContact O-OG1 2.91Å; R494-T498 VanDerWaalsContact O-OG1 3.06Å; S495-T498 WeakPolarHBondContact CA-OG1 3.39Å; S495-T498 PolarHBondContact O-OG1 3.45Å; R496-T498 VanDerWaalsContact C-N 3.33Å; R496-T498 PolarHBondContact O-N 3.4Å; T498-E500 VanDerWaalsContact C-N 3.33Å; T498-E500 PolarHBondContact O-N 3.29Å; T498-K501 PolarHBondContact O-N 2.83Å; T498-E502 PolarHBondContact O-N 3.45Å
499S70.3Confident66.5Low61 Ų61112.5 Ų112.543%0.42756%0.563SS.*Hα-helixtrans-67.2-32.1176.166.50000113.5S495 R496 S503S495-S499 PolarHBondContact O-N 3.14Å; S495-S499 PolarHBondContact O-OG 3.37Å; R496-S499 WeakPolarHBondContact CA-OG 3.39Å; R496-S499 PolarHBondContact O-N 3.43Å; R496-S499 VanDerWaalsContact O-N 3.16Å; R496-S499 PolarHBondContact O-OG 3.18Å; S499-S503 PolarHBondContact O-N 2.97Å; S499-S503 VanDerWaalsContact O-N 3.09Å; S499-S503 PolarHBondContact O-OG 2.94Å; S499-S503 VanDerWaalsContact O-OG 3.12Å
500E68.3Low64.7Low125 Ų125111.1 Ų111.158%0.58456%0.564SS**Hα-helixtrans-76.4-35.6178.2-162.9170.6-151.700111.3R496 T498 S503 T504R496-E500 WeakPolarHBondContact O-CB 3.43Å; R496-E500 PolarHBondContact O-N 3.02Å; T498-E500 VanDerWaalsContact C-N 3.33Å; T498-E500 PolarHBondContact O-N 3.29Å; E500-S503 WeakPolarHBondContact CA-OG 3.42Å; E500-S503 PolarHBondContact O-N 2.95Å; E500-S503 PolarHBondContact O-OG 3.43Å; E500-S503 VanDerWaalsContact O-OG 3.11Å; E500-T504 WeakPolarHBondContact O-CG2 3.39Å; E500-T504 PolarHBondContact O-N 3.44Å; E500-T504 PolarHBondContact O-OG1 2.93Å
501K61Low63Low138 Ų138115 Ų11560%0.658%0.58SS**Hα-helixtrans-67.2-36.1172-79.4-175.6174.2-175.30113.1L497 T498 T504 S505L497-K501 HydrophobicContact CD2-CD 4.17Å; L497-K501 HydrophobicContact CD2-CG 4.45Å; L497-K501 WeakPolarHBondContact O-CB 3.3Å; L497-K501 WeakPolarHBondContact O-CG 3.39Å; L497-K501 PolarHBondContact O-N 2.88Å; T498-K501 PolarHBondContact O-N 2.83Å; K501-T504 WeakPolarHBondContact CA-OG1 3.47Å; K501-T504 PolarHBondContact O-OG1 3.35Å; K501-T504 VanDerWaalsContact O-OG1 3.06Å; K501-S505 PolarHBondContact O-N 3.34Å
502E61.4Low61.1Low143 Ų143114.3 Ų114.367%0.66859%0.588SS**Hα-helixtrans-66.8-40.7172.9-76.1175.6172.500111.1T498 S505 D506T498-E502 PolarHBondContact O-N 3.45Å; E502-S505 PolarHBondContact O-N 3.24Å; E502-D506 PolarHBondContact O-N 3.1Å
503S57.1Low59.4Low59 Ų59115 Ų11541%0.41359%0.591SS.*Hα-helixtrans-76.1-24.5177.659.40000114.9S499 E500 D506 N507S499-S503 PolarHBondContact O-N 2.97Å; S499-S503 VanDerWaalsContact O-N 3.09Å; S499-S503 PolarHBondContact O-OG 2.94Å; S499-S503 VanDerWaalsContact O-OG 3.12Å; E500-S503 WeakPolarHBondContact CA-OG 3.42Å; E500-S503 PolarHBondContact O-N 2.95Å; E500-S503 PolarHBondContact O-OG 3.43Å; E500-S503 VanDerWaalsContact O-OG 3.11Å; S503-D506 PolarHBondContact O-N 3.48Å; S503-N507 PolarHBondContact O-N 3.46Å
504T55.1Low57.9Low78 Ų78118.3 Ų118.348%0.47961%0.609SS.*Hα-helixtrans-70.4-32.5170.6520000112.7E500 K501 D506 N507 E508E500-T504 WeakPolarHBondContact O-CG2 3.39Å; E500-T504 PolarHBondContact O-N 3.44Å; E500-T504 PolarHBondContact O-OG1 2.93Å; K501-T504 WeakPolarHBondContact CA-OG1 3.47Å; K501-T504 PolarHBondContact O-OG1 3.35Å; K501-T504 VanDerWaalsContact O-OG1 3.06Å; T504-D506 VanDerWaalsContact C-N 3.31Å; T504-D506 PolarHBondContact O-N 3.37Å; T504-N507 PolarHBondContact O-N 2.96Å; T504-E508 PolarHBondContact O-N 3.35Å
505S54.9Low56.3Low73 Ų73114.2 Ų114.251%0.5161%0.613SS.*Hα-helixtrans-68.3-29.9174.2-71.20000112.5K501 E502 N507K501-S505 PolarHBondContact O-N 3.34Å; E502-S505 PolarHBondContact O-N 3.24Å; S505-N507 VanDerWaalsContact C-N 3.34Å
506D52.1Low54.6Low111 Ų111117.8 Ų117.859%0.59463%0.627SS**Hα-helixtrans-74.7-23.3174.4-73.1-19.2000113E502 S503 T504 S510E502-D506 PolarHBondContact O-N 3.1Å; S503-D506 PolarHBondContact O-N 3.48Å; T504-D506 VanDerWaalsContact C-N 3.31Å; T504-D506 PolarHBondContact O-N 3.37Å; D506-S510 PolarHBondContact O-N 3.02Å; D506-S510 PolarHBondContact O-OG 3.46Å
507N51.5Low52.8Low113 Ų113117.5 Ų117.560%0.60463%0.633SS**Hα-helixtrans-79.9-29.7176.1-88.9-16.7000113.7S503 T504 S505 I509 S510 Q511S503-N507 PolarHBondContact O-N 3.46Å; T504-N507 PolarHBondContact O-N 2.96Å; S505-N507 VanDerWaalsContact C-N 3.34Å; N507-I509 PolarHBondContact O-N 2.95Å; N507-S510 PolarHBondContact O-N 3.14Å; N507-Q511 PolarHBondContact O-N 2.99Å
508E48.3Very low51.3Low157 Ų157124 Ų12473%0.73465%0.651SS**Hα-helixtrans-68.3-24.5174-73.7-170.8167.400112.5T504T504-E508 PolarHBondContact O-N 3.35Å
509I49.2Very low49.7Very low125 Ų125126.7 Ų126.764%0.64166%0.662SS**Hα-helixtrans-81-27.8174-59.3176.6000111.4N507N507-I509 PolarHBondContact O-N 2.95Å
510S47.3Very low48.4Very low77 Ų77129.6 Ų129.654%0.53868%0.677SS.*Hα-helixtrans-84-15.6-177.2-60.80000114.4D506 N507 N512D506-S510 PolarHBondContact O-N 3.02Å; D506-S510 PolarHBondContact O-OG 3.46Å; N507-S510 PolarHBondContact O-N 3.14Å; S510-N512 VanDerWaalsContact C-N 3.33Å
511Q41.6Very low47.3Very low166 Ų166129.6 Ų129.678%0.77669%0.688SS**THydrogen-bonded Turntrans-82.2-8.2178.3-151.4170.18.200114N507N507-Q511 PolarHBondContact O-N 2.99Å
512N41.2Very low46.5Very low145 Ų145127 Ų12778%0.77569%0.692SS**THydrogen-bonded Turntrans-92.44.5177.4-93.7-12.4000115.3S510S510-N512 VanDerWaalsContact C-N 3.33Å
513I41.3Very low46Very low135 Ų135124.1 Ų124.169%0.69269%0.688SS**SBendtrans-114.3-0.5179.8-61.3-178.9000113.5
514L42.8Very low45.7Very low161 Ų161127.7 Ų127.784%0.84370%0.702SS**  trans-110.333.6176.2-67176.8000114.1
515A42.3Very low45.6Very low94 Ų94128.6 Ų128.678%0.77771%0.708SS**SBendtrans-95.26.2162.300000113
516D38.6Very low45.4Very low148 Ų148127.7 Ų127.779%0.79170%0.704SS**  trans-121.164-178.1-149.925.1000112.3
517E41.4Very low45.5Very low179 Ų179126.7 Ų126.784%0.83670%0.702SS**  trans-136.658152.5-147.1173.4-163.800109.5L519E517-L519 PolarHBondContact O-N 2.89Å
518R40Very low45.5Very low230 Ų230131.2 Ų131.287%0.86871%0.711SS**  trans-85.449.4169.6-155.1179.7-168.3-169.13.7110.3
519L39.1Very low45.8Very low142 Ų142125.9 Ų125.974%0.74369%0.691SS**  trans-150.9102.6170.2-70.9176.4000109.6E517E517-L519 PolarHBondContact O-N 2.89Å
520T42.6Very low46Very low123 Ų123123.9 Ų123.976%0.75569%0.685SS**  trans160.454.2140.149.70000113.6A522T520-A522 PolarHBondContact O-N 3.36Å
521P44.3Very low46.4Very low124 Ų124124.2 Ų124.281%0.80568%0.684SS**  trans-77.768.3152.434.7-29.1000108.5
522A43.8Very low47.1Very low83 Ų83119.8 Ų119.869%0.68667%0.668SS**  trans-138.954.6176.600000110.8T520T520-A522 PolarHBondContact O-N 3.36Å
523S52.1Low47.9Very low83 Ų83117.2 Ų117.258%0.5865%0.654SS**SBendtrans-142.6-35.6165.1-172.30000112.6A526S523-A526 WeakPolarHBondContact O-CB 3.21Å; S523-A526 PolarHBondContact O-N 3.49Å
524N50.4Low48.8Very low135 Ų135114 Ų11472%0.72264%0.643SS**Hα-helixtrans-87.8-16.5178.5-71-14.7000114.9A526N524-A526 VanDerWaalsContact C-N 3.26Å
525V52.4Low49.7Very low97 Ų97111.2 Ų111.259%0.58863%0.629SS**Hα-helixtrans-71.5-27.5161.7179.20000109.5T527 S529V525-T527 PolarHBondContact O-N 2.98Å; V525-S529 WeakPolarHBondContact CG1-OG 3.23Å; V525-S529 WeakPolarHBondContact O-CA 3.28Å; V525-S529 WeakPolarHBondContact O-CB 3.3Å; V525-S529 PolarHBondContact O-N 2.87Å; V525-S529 PolarHBondContact O-OG 3.33Å
526A52.3Low51.1Low53 Ų53111.7 Ų111.744%0.43862%0.615SS.*Hα-helixtrans-64.6-40.1178.500000112.1S523 N524 S529 T530S523-A526 WeakPolarHBondContact O-CB 3.21Å; S523-A526 PolarHBondContact O-N 3.49Å; N524-A526 VanDerWaalsContact C-N 3.26Å; A526-S529 CarbonylContact O-C 3.41Å; A526-T530 WeakPolarHBondContact O-CA 3.38Å; A526-T530 VanDerWaalsContact O-CB 3.32Å; A526-T530 WeakPolarHBondContact O-CB 3.29Å; A526-T530 PolarHBondContact O-N 3Å; A526-T530 PolarHBondContact O-OG1 3.38Å
527T53.1Low52.8Low91 Ų91108 Ų10856%0.55860%0.598SS**Hα-helixtrans-80.1-34.2-176.73.50000114.3V525 T530 T531V525-T527 PolarHBondContact O-N 2.98Å; T527-T530 PolarHBondContact O-N 3.4Å; T527-T531 PolarHBondContact O-N 3.49Å; T527-T531 PolarHBondContact O-OG1 3.31Å
528R51.3Low54.5Low207 Ų207104.7 Ų104.778%0.78158%0.583SS**Hα-helixtrans-74-34.2168.9-107.1179.4-179.4167.10.2111.9T530 T531 V532R528-T530 VanDerWaalsContact C-N 3.33Å; R528-T531 PolarHBondContact O-OG1 2.96Å; R528-V532 VanDerWaalsContact O-CB 3.23Å; R528-V532 WeakPolarHBondContact O-CB 3.3Å; R528-V532 WeakPolarHBondContact O-CG2 3.5Å; R528-V532 PolarHBondContact O-N 3.49Å
529S54Low56.4Low46 Ų4696.9 Ų96.932%0.32256%0.561SS.*Hα-helixtrans-68.1-28164-63.90000111.6V525 A526 L533V525-S529 WeakPolarHBondContact CG1-OG 3.23Å; V525-S529 WeakPolarHBondContact O-CA 3.28Å; V525-S529 WeakPolarHBondContact O-CB 3.3Å; V525-S529 PolarHBondContact O-N 2.87Å; V525-S529 PolarHBondContact O-OG 3.33Å; A526-S529 CarbonylContact O-C 3.41Å; S529-L533 VanDerWaalsContact O-CA 3.29Å; S529-L533 WeakPolarHBondContact O-CA 3.5Å; S529-L533 WeakPolarHBondContact O-CB 3.21Å; S529-L533 WeakPolarHBondContact O-CD1 3.35Å; S529-L533 WeakPolarHBondContact O-CG 3.37Å; S529-L533 PolarHBondContact O-N 3.31Å
530T55.3Low58.5Low83 Ų8396.3 Ų96.351%0.50955%0.554SS.*Hα-helixtrans-76-35.7179.4-48.90000110.9A526 T527 R528 S534A526-T530 WeakPolarHBondContact O-CA 3.38Å; A526-T530 VanDerWaalsContact O-CB 3.32Å; A526-T530 WeakPolarHBondContact O-CB 3.29Å; A526-T530 PolarHBondContact O-N 3Å; A526-T530 PolarHBondContact O-OG1 3.38Å; T527-T530 PolarHBondContact O-N 3.4Å; R528-T530 VanDerWaalsContact C-N 3.33Å; T530-S534 VanDerWaalsContact O-CB 3.24Å; T530-S534 WeakPolarHBondContact O-CB 3.47Å; T530-S534 PolarHBondContact O-N 2.94Å
531T54.7Low60.5Low84 Ų8496.8 Ų96.852%0.51555%0.549SS..Hα-helixtrans-73.4-42.3174.140.80000111.4T527 R528 S534 D535T527-T531 PolarHBondContact O-N 3.49Å; T527-T531 PolarHBondContact O-OG1 3.31Å; R528-T531 PolarHBondContact O-OG1 2.96Å; T531-S534 PolarHBondContact O-N 2.92Å; T531-D535 PolarHBondContact O-N 3Å
532V56Low62.4Low73 Ų7395.9 Ų95.944%0.44254%0.537SS..Hα-helixtrans-67.4-34171.7176.80000111.6R528 E536R528-V532 VanDerWaalsContact O-CB 3.23Å; R528-V532 WeakPolarHBondContact O-CB 3.3Å; R528-V532 WeakPolarHBondContact O-CG2 3.5Å; R528-V532 PolarHBondContact O-N 3.49Å; V532-E536 HydrophobicContact CG1-CG 4.08Å; V532-E536 WeakPolarHBondContact O-CA 3.49Å; V532-E536 WeakPolarHBondContact O-CB 3.42Å; V532-E536 WeakPolarHBondContact O-CG 3.48Å; V532-E536 PolarHBondContact O-N 3.39Å
533L57.6Low64.5Low90 Ų90100.4 Ų100.447%0.47154%0.536SS..Hα-helixtrans-73.9-32.2174.6-72.7165.3000111.4S529 T537S529-L533 VanDerWaalsContact O-CA 3.29Å; S529-L533 WeakPolarHBondContact O-CA 3.5Å; S529-L533 WeakPolarHBondContact O-CB 3.21Å; S529-L533 WeakPolarHBondContact O-CD1 3.35Å; S529-L533 WeakPolarHBondContact O-CG 3.37Å; S529-L533 PolarHBondContact O-N 3.31Å; L533-T537 WeakPolarHBondContact O-CB 3.45Å; L533-T537 WeakPolarHBondContact O-CG2 3.1Å; L533-T537 PolarHBondContact O-N 2.77Å; L533-T537 PolarHBondContact O-OG1 2.87Å
534S60.2Low66.2Low68 Ų6898.6 Ų98.648%0.47652%0.524SS..Hα-helixtrans-70.1-41.7175.1-161.50000110.3T530 T531 T537 E538T530-S534 VanDerWaalsContact O-CB 3.24Å; T530-S534 WeakPolarHBondContact O-CB 3.47Å; T530-S534 PolarHBondContact O-N 2.94Å; T531-S534 PolarHBondContact O-N 2.92Å; S534-T537 WeakPolarHBondContact CA-OG1 3.45Å; S534-T537 PolarHBondContact O-OG1 3.37Å; S534-E538 WeakPolarHBondContact O-CB 3.2Å; S534-E538 PolarHBondContact O-N 3.28Å
535D62.8Low68.2Low103 Ų10396.7 Ų96.755%0.55151%0.511SS*.Hα-helixtrans-71.1-38.5173.6-71.4-5.4000111.1T531 E538 V539T531-D535 PolarHBondContact O-N 3Å; D535-E538 PolarHBondContact O-N 3.31Å; D535-V539 WeakPolarHBondContact O-CB 3.16Å; D535-V539 WeakPolarHBondContact O-CG2 3.22Å; D535-V539 PolarHBondContact O-N 3.49Å
536E70.8Confident69.9Low104 Ų10496.3 Ų96.349%0.48651%0.508SS..Hα-helixtrans-66.8-37.4175.1-81.6176.516000111.7V532 V539 E540V532-E536 HydrophobicContact CG1-CG 4.08Å; V532-E536 WeakPolarHBondContact O-CA 3.49Å; V532-E536 WeakPolarHBondContact O-CB 3.42Å; V532-E536 WeakPolarHBondContact O-CG 3.48Å; V532-E536 PolarHBondContact O-N 3.39Å; E536-V539 PolarHBondContact O-N 3.46Å; E536-E540 VanDerWaalsContact O-CB 3.25Å; E536-E540 WeakPolarHBondContact O-CB 3.26Å; E536-E540 WeakPolarHBondContact O-CG 3.39Å; E536-E540 PolarHBondContact O-N 2.87Å
537T74.8Confident71.8Confident69 Ų69100 Ų10042%0.42352%0.516SS..Hα-helixtrans-72-38.4175.949.80000111.6L533 S534 E540 M541L533-T537 WeakPolarHBondContact O-CB 3.45Å; L533-T537 WeakPolarHBondContact O-CG2 3.1Å; L533-T537 PolarHBondContact O-N 2.77Å; L533-T537 PolarHBondContact O-OG1 2.87Å; S534-T537 WeakPolarHBondContact CA-OG1 3.45Å; S534-T537 PolarHBondContact O-OG1 3.37Å; T537-E540 PolarHBondContact O-N 3Å; T537-M541 WeakPolarHBondContact O-CB 3.35Å; T537-M541 WeakPolarHBondContact O-CG 3.39Å; T537-M541 PolarHBondContact O-N 3.33Å
538E77.9Confident73.7Confident111 Ų111101.5 Ų101.552%0.51952%0.515SS..Hα-helixtrans-67-40.2173-164.9171.2-165.900111S534 D535 M541 L542S534-E538 WeakPolarHBondContact O-CB 3.2Å; S534-E538 PolarHBondContact O-N 3.28Å; D535-E538 PolarHBondContact O-N 3.31Å; E538-M541 PolarHBondContact O-N 2.94Å; E538-L542 HydrophobicContact CG-CD1 4.43Å; E538-L542 WeakPolarHBondContact O-CB 3.44Å; E538-L542 VanDerWaalsContact O-CG 3.29Å; E538-L542 WeakPolarHBondContact O-CG 3.36Å; E538-L542 PolarHBondContact O-N 3.09Å
539V79Confident75.6Confident66 Ų6696 Ų9640%0.450%0.501SS..Hα-helixtrans-66.3-38.3173.3169.80000111.6D535 E536 R543D535-V539 WeakPolarHBondContact O-CB 3.16Å; D535-V539 WeakPolarHBondContact O-CG2 3.22Å; D535-V539 PolarHBondContact O-N 3.49Å; E536-V539 PolarHBondContact O-N 3.46Å; V539-R543 HydrophobicContact CG1-CG 4.32Å; V539-R543 VanDerWaalsContact O-CB 3.22Å; V539-R543 WeakPolarHBondContact O-CB 3.44Å; V539-R543 WeakPolarHBondContact O-CG 3.4Å; V539-R543 PolarHBondContact O-N 2.78Å
540E82.9Confident77.5Confident130 Ų13096.9 Ų96.961%0.60750%0.504SS*.Hα-helixtrans-68.7-39.7174.2-87.8-177.415300111.9E536 T537 R543 S544E536-E540 VanDerWaalsContact O-CB 3.25Å; E536-E540 WeakPolarHBondContact O-CB 3.26Å; E536-E540 WeakPolarHBondContact O-CG 3.39Å; E536-E540 PolarHBondContact O-N 2.87Å; T537-E540 PolarHBondContact O-N 3Å; E540-R543 PolarHBondContact O-N 3.43Å; E540-S544 VanDerWaalsContact O-CB 3.26Å; E540-S544 WeakPolarHBondContact O-CB 3.44Å; E540-S544 PolarHBondContact O-N 2.98Å
541M84.5Confident79.3Confident132 Ų13296.4 Ų96.465%0.6550%0.502SS*.Hα-helixtrans-64.2-45.4173.1-79-156.4-54.300111.3T537 E538 S544 Q545T537-M541 WeakPolarHBondContact O-CB 3.35Å; T537-M541 WeakPolarHBondContact O-CG 3.39Å; T537-M541 PolarHBondContact O-N 3.33Å; E538-M541 PolarHBondContact O-N 2.94Å; M541-S544 PolarHBondContact O-N 3.49Å; M541-Q545 VanDerWaalsContact O-CB 3.3Å; M541-Q545 WeakPolarHBondContact O-CB 3.2Å; M541-Q545 PolarHBondContact O-N 3.26Å
542L84.7Confident81.1Confident106 Ų10697.9 Ų97.956%0.55550%0.503SS*.Hα-helixtrans-64.7-40.1175.7-73.8172.6000111.3E538 Q545 V546E538-L542 HydrophobicContact CG-CD1 4.43Å; E538-L542 WeakPolarHBondContact O-CB 3.44Å; E538-L542 VanDerWaalsContact O-CG 3.29Å; E538-L542 WeakPolarHBondContact O-CG 3.36Å; E538-L542 PolarHBondContact O-N 3.09Å; L542-Q545 PolarHBondContact O-N 2.79Å; L542-V546 WeakPolarHBondContact O-CB 3.1Å; L542-V546 WeakPolarHBondContact O-CG2 3.24Å; L542-V546 PolarHBondContact O-N 2.65Å
543R87.6Confident82.7Confident177 Ų177100.1 Ų100.167%0.66851%0.511SS*.Hα-helixtrans-63.1-44.5173.5-79.2175.1-177.5-156.53.3111.7V539 E540 Q545 V546 E547V539-R543 HydrophobicContact CG1-CG 4.32Å; V539-R543 VanDerWaalsContact O-CB 3.22Å; V539-R543 WeakPolarHBondContact O-CB 3.44Å; V539-R543 WeakPolarHBondContact O-CG 3.4Å; V539-R543 PolarHBondContact O-N 2.78Å; E540-R543 PolarHBondContact O-N 3.43Å; R543-Q545 VanDerWaalsContact C-N 3.33Å; R543-Q545 PolarHBondContact O-N 2.95Å; R543-V546 PolarHBondContact O-N 2.89Å; R543-E547 VanDerWaalsContact O-CB 3.28Å; R543-E547 WeakPolarHBondContact O-CB 3.39Å; R543-E547 PolarHBondContact O-N 3.46Å
544S88.3Confident84.5Confident45 Ų45102.2 Ų102.232%0.31552%0.519SS..Hα-helixtrans-63.6-39.2175.4-177.60000111.6E540 M541 E547 K548E540-S544 VanDerWaalsContact O-CB 3.26Å; E540-S544 WeakPolarHBondContact O-CB 3.44Å; E540-S544 PolarHBondContact O-N 2.98Å; M541-S544 PolarHBondContact O-N 3.49Å; S544-E547 PolarHBondContact O-N 3.33Å; S544-K548 WeakPolarHBondContact O-CB 3.25Å; S544-K548 VanDerWaalsContact O-CG 3.23Å; S544-K548 WeakPolarHBondContact O-CG 3.12Å; S544-K548 PolarHBondContact O-N 3.41Å
545Q91.1Very high86.1Confident96 Ų96102.9 Ų102.945%0.44952%0.523SS..Hα-helixtrans-68.1-42.2176.5-173.561.629.900111.4M541 L542 R543 K548 L549M541-Q545 VanDerWaalsContact O-CB 3.3Å; M541-Q545 WeakPolarHBondContact O-CB 3.2Å; M541-Q545 PolarHBondContact O-N 3.26Å; L542-Q545 PolarHBondContact O-N 2.79Å; R543-Q545 VanDerWaalsContact C-N 3.33Å; R543-Q545 PolarHBondContact O-N 2.95Å; Q545-K548 PolarHBondContact O-N 2.88Å; Q545-L549 HydrophobicContact CG-CD1 4.24Å; Q545-L549 WeakPolarHBondContact O-CB 3.42Å; Q545-L549 VanDerWaalsContact O-CG 3.3Å; Q545-L549 WeakPolarHBondContact O-CG 3.45Å; Q545-L549 PolarHBondContact O-N 2.85Å
546V89.9Confident87.6Confident89 Ų89103.9 Ų103.954%0.53952%0.523SS..Hα-helixtrans-62.4-44.8173.7169.30000110.1L542 R543 K548 L549 T550L542-V546 WeakPolarHBondContact O-CB 3.1Å; L542-V546 WeakPolarHBondContact O-CG2 3.24Å; L542-V546 PolarHBondContact O-N 2.65Å; R543-V546 PolarHBondContact O-N 2.89Å; V546-K548 PolarHBondContact O-N 2.93Å; V546-L549 PolarHBondContact O-N 3.46Å; V546-T550 HydrophobicContact CG1-CG2 4.32Å; V546-T550 WeakPolarHBondContact O-CB 3.39Å; V546-T550 WeakPolarHBondContact O-CG2 3.47Å; V546-T550 PolarHBondContact O-N 3.26Å; V546-T550 PolarHBondContact O-OG1 2.9Å
547E92.2Very high88.7Confident129 Ų129103.4 Ų103.460%0.60352%0.523SS*.Hα-helixtrans-62.4-42.2177.6-173.2175.6-165.600112.4R543 S544 T550 T551R543-E547 VanDerWaalsContact O-CB 3.28Å; R543-E547 WeakPolarHBondContact O-CB 3.39Å; R543-E547 PolarHBondContact O-N 3.46Å; S544-E547 PolarHBondContact O-N 3.33Å; E547-T550 WeakPolarHBondContact CA-OG1 3.43Å; E547-T550 PolarHBondContact O-N 3.41Å; E547-T550 PolarHBondContact O-OG1 2.85Å; E547-T551 WeakPolarHBondContact O-CB 3.42Å; E547-T551 VanDerWaalsContact O-CG2 3.3Å; E547-T551 WeakPolarHBondContact O-CG2 3.42Å; E547-T551 PolarHBondContact O-N 3.06Å; E547-T551 PolarHBondContact O-OG1 2.81Å
548K92.4Very high89.6Confident124 Ų124104.4 Ų104.454%0.53952%0.523SS..Hα-helixtrans-63.3-45.2173.2-75.5170.3-174171.20111.9S544 Q545 V546 T551 E552S544-K548 WeakPolarHBondContact O-CB 3.25Å; S544-K548 VanDerWaalsContact O-CG 3.23Å; S544-K548 WeakPolarHBondContact O-CG 3.12Å; S544-K548 PolarHBondContact O-N 3.41Å; Q545-K548 PolarHBondContact O-N 2.88Å; V546-K548 PolarHBondContact O-N 2.93Å; K548-T551 WeakPolarHBondContact CA-OG1 3.14Å; K548-T551 PolarHBondContact O-N 3.3Å; K548-T551 PolarHBondContact O-OG1 3.03Å; K548-E552 WeakPolarHBondContact O-CB 3.16Å; K548-E552 PolarHBondContact O-N 3.13Å
549L91.7Very high90.4Very high91 Ų91103.4 Ų103.448%0.47652%0.518SS..Hα-helixtrans-67-37177.5-73.5173000111.8Q545 V546 L553Q545-L549 HydrophobicContact CG-CD1 4.24Å; Q545-L549 WeakPolarHBondContact O-CB 3.42Å; Q545-L549 VanDerWaalsContact O-CG 3.3Å; Q545-L549 WeakPolarHBondContact O-CG 3.45Å; Q545-L549 PolarHBondContact O-N 2.85Å; V546-L549 PolarHBondContact O-N 3.46Å; L549-L553 VanDerWaalsContact O-CB 3.24Å; L549-L553 WeakPolarHBondContact O-CB 3.29Å; L549-L553 PolarHBondContact O-N 3.34Å
550T93Very high91.1Very high64 Ų64104.1 Ų104.139%0.39352%0.519SS..Hα-helixtrans-68-41.217647.20000111.8V546 E547 L553 E554V546-T550 HydrophobicContact CG1-CG2 4.32Å; V546-T550 WeakPolarHBondContact O-CB 3.39Å; V546-T550 WeakPolarHBondContact O-CG2 3.47Å; V546-T550 PolarHBondContact O-N 3.26Å; V546-T550 PolarHBondContact O-OG1 2.9Å; E547-T550 WeakPolarHBondContact CA-OG1 3.43Å; E547-T550 PolarHBondContact O-N 3.41Å; E547-T550 PolarHBondContact O-OG1 2.85Å; T550-L553 WeakPolarHBondContact O-CB 3.23Å; T550-L553 PolarHBondContact O-N 2.88Å; T550-E554 WeakPolarHBondContact O-CG 3.21Å; T550-E554 PolarHBondContact O-N 3.34Å
551T92.7Very high91.6Very high74 Ų74103.9 Ų103.945%0.45452%0.516SS..Hα-helixtrans-67.4-37.8176.449.30000112.2E547 K548 S555E547-T551 WeakPolarHBondContact O-CB 3.42Å; E547-T551 VanDerWaalsContact O-CG2 3.3Å; E547-T551 WeakPolarHBondContact O-CG2 3.42Å; E547-T551 PolarHBondContact O-N 3.06Å; E547-T551 PolarHBondContact O-OG1 2.81Å; K548-T551 WeakPolarHBondContact CA-OG1 3.14Å; K548-T551 PolarHBondContact O-N 3.3Å; K548-T551 PolarHBondContact O-OG1 3.03Å; T551-S555 WeakPolarHBondContact O-CB 2.85Å; T551-S555 PolarHBondContact O-N 3.48Å
552E92.9Very high92.1Very high115 Ų115102.6 Ų102.654%0.53751%0.509SS..Hα-helixtrans-67.8-38.7173.5-166171.2-168.600111.7K548 S555 K556K548-E552 WeakPolarHBondContact O-CB 3.16Å; K548-E552 PolarHBondContact O-N 3.13Å; E552-S555 PolarHBondContact O-N 2.87Å; E552-K556 VanDerWaalsContact O-CG 3.29Å; E552-K556 WeakPolarHBondContact O-CG 2.89Å; E552-K556 PolarHBondContact O-N 2.81Å
553L90.9Very high92.5Very high119 Ų119101.8 Ų101.862%0.62351%0.505SS*.Hα-helixtrans-61.9-46.5174.7-161.485.7000111.4L549 T550 S555 K556 D557L549-L553 VanDerWaalsContact O-CB 3.24Å; L549-L553 WeakPolarHBondContact O-CB 3.29Å; L549-L553 PolarHBondContact O-N 3.34Å; T550-L553 WeakPolarHBondContact O-CB 3.23Å; T550-L553 PolarHBondContact O-N 2.88Å; L553-S555 PolarHBondContact O-N 3.44Å; L553-K556 PolarHBondContact O-N 2.8Å; L553-D557 PolarHBondContact O-N 2.81Å
554E94.2Very high92.8Very high135 Ų135100.4 Ų100.463%0.63150%0.504SS*.Hα-helixtrans-61.5-42176.1-75175.7176.600112T550 D557 E558T550-E554 WeakPolarHBondContact O-CG 3.21Å; T550-E554 PolarHBondContact O-N 3.34Å; E554-D557 PolarHBondContact O-N 3.47Å; E554-E558 PolarHBondContact O-N 2.99Å
555S94.6Very high93.2Very high81 Ų81105.1 Ų105.157%0.56652%0.519SS*.Hα-helixtrans-61.6-44.3175.61790000112.2T551 E552 L553 E558 Q559T551-S555 WeakPolarHBondContact O-CB 2.85Å; T551-S555 PolarHBondContact O-N 3.48Å; E552-S555 PolarHBondContact O-N 2.87Å; L553-S555 PolarHBondContact O-N 3.44Å; S555-E558 PolarHBondContact O-N 2.86Å; S555-Q559 PolarHBondContact O-N 3.02Å
556K92.9Very high93.3Very high125 Ų125103 Ų10354%0.54352%0.517SS..Hα-helixtrans-65.8-39.7176.2-69.8-69-177-177.20112.2E552 L553 E558 Q559 I560E552-K556 VanDerWaalsContact O-CG 3.29Å; E552-K556 WeakPolarHBondContact O-CG 2.89Å; E552-K556 PolarHBondContact O-N 2.81Å; L553-K556 PolarHBondContact O-N 2.8Å; K556-E558 VanDerWaalsContact C-N 3.33Å; K556-E558 PolarHBondContact O-N 3.28Å; K556-Q559 PolarHBondContact O-N 2.94Å; K556-I560 VanDerWaalsContact O-CG1 3.29Å; K556-I560 WeakPolarHBondContact O-CG1 3.45Å; K556-I560 PolarHBondContact O-N 3.3Å
557D94Very high93.5Very high93 Ų93106.6 Ų106.650%0.49752%0.522SS..Hα-helixtrans-63.9-38.4176.3-105.22.7000112.1L553 E554 I560 K561L553-D557 PolarHBondContact O-N 2.81Å; E554-D557 PolarHBondContact O-N 3.47Å; D557-I560 PolarHBondContact O-N 2.92Å; D557-K561 WeakPolarHBondContact O-CG 3.41Å; D557-K561 PolarHBondContact O-N 2.78Å; D557-K561 VanDerWaalsContact O-N 3.1Å
558E94.9Very high93.6Very high91 Ų91107.5 Ų107.543%0.42552%0.521SS..Hα-helixtrans-69.9-39.2176-164.156.2-149.300112E554 S555 K556 I560 K561 Q562E554-E558 PolarHBondContact O-N 2.99Å; S555-E558 PolarHBondContact O-N 2.86Å; K556-E558 VanDerWaalsContact C-N 3.33Å; K556-E558 PolarHBondContact O-N 3.28Å; E558-I560 PolarHBondContact O-N 3.5Å; E558-K561 PolarHBondContact O-N 3.41Å; E558-K561 IonicContact OE2-NZ 3.36Å; E558-K561 PolarHBondContact OE2-NZ 3.36Å; E558-Q562 WeakPolarHBondContact O-CG 3.32Å; E558-Q562 PolarHBondContact O-N 3.23Å
559Q93.9Very high93.7Very high89 Ų89105.1 Ų105.142%0.41652%0.515SS..Hα-helixtrans-60.4-45.2172.6-173.862.85000111.6S555 K556 K561 Q562 D563S555-Q559 PolarHBondContact O-N 3.02Å; K556-Q559 PolarHBondContact O-N 2.94Å; Q559-K561 VanDerWaalsContact C-N 3.27Å; Q559-K561 PolarHBondContact O-N 2.73Å; Q559-Q562 PolarHBondContact O-N 2.85Å; Q559-Q562 VanDerWaalsContact O-N 3.14Å; Q559-D563 PolarHBondContact NE2-OD1 3.48Å; Q559-D563 PolarHBondContact O-N 2.81Å
560I93.4Very high93.7Very high81 Ų81105.5 Ų105.542%0.41552%0.517SS..Hα-helixtrans-61.1-37.4177.8-71.1166.8000111.2K556 D557 E558 K564K556-I560 VanDerWaalsContact O-CG1 3.29Å; K556-I560 WeakPolarHBondContact O-CG1 3.45Å; K556-I560 PolarHBondContact O-N 3.3Å; D557-I560 PolarHBondContact O-N 2.92Å; E558-I560 PolarHBondContact O-N 3.5Å; I560-K564 HydrophobicContact CG2-CD 4.15Å; I560-K564 WeakPolarHBondContact O-CB 3.39Å; I560-K564 VanDerWaalsContact O-CG 3.27Å; I560-K564 WeakPolarHBondContact O-CG 3.34Å; I560-K564 PolarHBondContact O-N 2.84Å
561K94.5Very high93.8Very high125 Ų125106.1 Ų106.154%0.54352%0.518SS..Hα-helixtrans-65.6-42.7174.4-73.8175.6-164.7159.40112.1D557 E558 Q559 K564 K565D557-K561 WeakPolarHBondContact O-CG 3.41Å; D557-K561 PolarHBondContact O-N 2.78Å; D557-K561 VanDerWaalsContact O-N 3.1Å; E558-K561 PolarHBondContact O-N 3.41Å; E558-K561 IonicContact OE2-NZ 3.36Å; E558-K561 PolarHBondContact OE2-NZ 3.36Å; Q559-K561 VanDerWaalsContact C-N 3.27Å; Q559-K561 PolarHBondContact O-N 2.73Å; K561-K564 PolarHBondContact O-N 3.41Å; K561-K565 PolarHBondContact O-N 2.78Å
562Q94.6Very high93.8Very high106 Ų106106 Ų10650%0.49551%0.512SS..Hα-helixtrans-64.1-44.5177.9-70.5179.918.900111.7E558 Q559 K564 K565 A566E558-Q562 WeakPolarHBondContact O-CG 3.32Å; E558-Q562 PolarHBondContact O-N 3.23Å; Q559-Q562 PolarHBondContact O-N 2.85Å; Q559-Q562 VanDerWaalsContact O-N 3.14Å; Q562-K564 PolarHBondContact O-N 3.4Å; Q562-K565 WeakPolarHBondContact O-CB 3.35Å; Q562-K565 PolarHBondContact O-N 3.45Å; Q562-A566 PolarHBondContact O-N 3.47Å
563D93.6Very high93.9Very high89 Ų89106.6 Ų106.648%0.47651%0.513SS..Hα-helixtrans-63.3-42.5178-68.2-12.3000111.2Q559 K565 A566 Y567Q559-D563 PolarHBondContact NE2-OD1 3.48Å; Q559-D563 PolarHBondContact O-N 2.81Å; D563-K565 VanDerWaalsContact C-N 3.32Å; D563-K565 PolarHBondContact O-N 2.98Å; D563-A566 PolarHBondContact O-N 2.88Å; D563-Y567 WeakPolarHBondContact O-CB 3.43Å; D563-Y567 PolarHBondContact O-N 3.43Å
564K94.3Very high94Very high148 Ų148103.2 Ų103.264%0.64350%0.502SS*.Hα-helixtrans-60.4-41.1173.9-78.7176.2179.6175.80112.1I560 K561 Q562 Y567 Y568I560-K564 HydrophobicContact CG2-CD 4.15Å; I560-K564 WeakPolarHBondContact O-CB 3.39Å; I560-K564 VanDerWaalsContact O-CG 3.27Å; I560-K564 WeakPolarHBondContact O-CG 3.34Å; I560-K564 PolarHBondContact O-N 2.84Å; K561-K564 PolarHBondContact O-N 3.41Å; Q562-K564 PolarHBondContact O-N 3.4Å; K564-Y567 PolarHBondContact O-N 2.82Å; K564-Y568 WeakPolarHBondContact O-CB 2.99Å; K564-Y568 PolarHBondContact O-N 3.23Å
565K95.6Very high94Very high144 Ų144103.9 Ų103.963%0.62650%0.499SS*.Hα-helixtrans-64.9-47176.6-174.2-178.9177.7-176.50111.4K561 Q562 D563 Y567 Y568 D569K561-K565 PolarHBondContact O-N 2.78Å; Q562-K565 WeakPolarHBondContact O-CB 3.35Å; Q562-K565 PolarHBondContact O-N 3.45Å; D563-K565 VanDerWaalsContact C-N 3.32Å; D563-K565 PolarHBondContact O-N 2.98Å; K565-Y567 VanDerWaalsContact C-N 3.3Å; K565-Y567 PolarHBondContact O-N 3.29Å; K565-Y568 PolarHBondContact O-N 3.39Å; K565-D569 PolarHBondContact O-N 3.08Å
566A94.5Very high93.9Very high51 Ų51105.5 Ų105.542%0.42150%0.497SS..Hα-helixtrans-62-38.8177.200000112.2Q562 D563 D569 N570Q562-A566 PolarHBondContact O-N 3.47Å; D563-A566 PolarHBondContact O-N 2.88Å; A566-D569 PolarHBondContact O-N 3.48Å; A566-N570 WeakPolarHBondContact O-CB 3.38Å; A566-N570 PolarHBondContact O-N 2.84Å
567Y92.8Very high93.8Very high164 Ų164103.6 Ų103.664%0.64350%0.496SS*.Hα-helixtrans-64.7-42.4175.2-161.5-93.7000111.7D563 K564 K565 N570 L571D563-Y567 WeakPolarHBondContact O-CB 3.43Å; D563-Y567 PolarHBondContact O-N 3.43Å; K564-Y567 PolarHBondContact O-N 2.82Å; K565-Y567 VanDerWaalsContact C-N 3.3Å; K565-Y567 PolarHBondContact O-N 3.29Å; Y567-N570 PolarHBondContact O-N 2.85Å; Y567-L571 HydrophobicContact CD1-CD1 3.75Å; Y567-L571 HydrophobicContact CD1-CG 4.21Å; Y567-L571 HydrophobicContact CE1-CD1 3.61Å; Y567-L571 HydrophobicContact CE1-CG 4.07Å; Y567-L571 WeakPolarHBondContact O-CG 3.35Å; Y567-L571 PolarHBondContact O-N 2.71Å
568Y94.3Very high93.4Very high149 Ų149104.5 Ų104.558%0.58450%0.499SS*.Hα-helixtrans-63.2-45.6175.6-167.9-89.4000111.9K564 K565 N570 L571 E572K564-Y568 WeakPolarHBondContact O-CB 2.99Å; K564-Y568 PolarHBondContact O-N 3.23Å; K565-Y568 PolarHBondContact O-N 3.39Å; Y568-N570 VanDerWaalsContact C-N 3.33Å; Y568-N570 PolarHBondContact O-N 3.23Å; Y568-L571 PolarHBondContact O-N 2.99Å; Y568-E572 PolarHBondContact O-N 2.77Å
569D95.1Very high93Very high74 Ų74108.4 Ų108.440%0.39651%0.511SS..Hα-helixtrans-63.1-38.9177.9-69.7-16000111.8K565 A566 E572 K573K565-D569 PolarHBondContact O-N 3.08Å; A566-D569 PolarHBondContact O-N 3.48Å; D569-E572 PolarHBondContact O-N 2.68Å; D569-K573 WeakPolarHBondContact O-CG 3.31Å; D569-K573 PolarHBondContact O-N 3.5Å
570N92.4Very high92.5Very high99 Ų99106.9 Ų106.953%0.52951%0.514SS..Hα-helixtrans-68.3-39.2175.5-83.2-14.9000112.6A566 Y567 Y568 E572 K573 A574A566-N570 WeakPolarHBondContact O-CB 3.38Å; A566-N570 PolarHBondContact O-N 2.84Å; Y567-N570 PolarHBondContact O-N 2.85Å; Y568-N570 VanDerWaalsContact C-N 3.33Å; Y568-N570 PolarHBondContact O-N 3.23Å; N570-E572 VanDerWaalsContact C-N 3.31Å; N570-E572 PolarHBondContact O-N 2.79Å; N570-K573 PolarHBondContact O-N 2.78Å; N570-A574 WeakPolarHBondContact O-CB 3.44Å; N570-A574 PolarHBondContact O-N 3.02Å
571L93.6Very high91.8Very high77 Ų77108.2 Ų108.240%0.40352%0.522SS..Hα-helixtrans-63.2-39.3173.3-79.5175.5000111.7Y567 Y568 A574 R575Y567-L571 HydrophobicContact CD1-CD1 3.75Å; Y567-L571 HydrophobicContact CD1-CG 4.21Å; Y567-L571 HydrophobicContact CE1-CD1 3.61Å; Y567-L571 HydrophobicContact CE1-CG 4.07Å; Y567-L571 WeakPolarHBondContact O-CG 3.35Å; Y567-L571 PolarHBondContact O-N 2.71Å; Y568-L571 PolarHBondContact O-N 2.99Å; L571-A574 PolarHBondContact O-N 3Å; L571-R575 WeakPolarHBondContact O-CG 3.33Å; L571-R575 PolarHBondContact O-N 3.4Å
572E93.7Very high91Very high70 Ų70106.4 Ų106.433%0.32752%0.518SS..Hα-helixtrans-68.1-42.1178.2-169.554-146.100111.6Y568 D569 N570 A574 R575 Q576Y568-E572 PolarHBondContact O-N 2.77Å; D569-E572 PolarHBondContact O-N 2.68Å; N570-E572 VanDerWaalsContact C-N 3.31Å; N570-E572 PolarHBondContact O-N 2.79Å; E572-A574 VanDerWaalsContact C-N 3.34Å; E572-A574 PolarHBondContact O-N 2.92Å; E572-R575 PolarHBondContact O-N 2.92Å; E572-Q576 WeakPolarHBondContact O-CG 3.47Å; E572-Q576 PolarHBondContact O-N 3.34Å
573K94Very high90.2Very high128 Ų128103.7 Ų103.756%0.55751%0.509SS*.Hα-helixtrans-59.2-44171-73.5173.1-175.1172.70112.1D569 N570 R575 Q576 V577D569-K573 WeakPolarHBondContact O-CG 3.31Å; D569-K573 PolarHBondContact O-N 3.5Å; N570-K573 PolarHBondContact O-N 2.78Å; K573-R575 VanDerWaalsContact C-N 3.34Å; K573-R575 PolarHBondContact O-N 2.64Å; K573-Q576 PolarHBondContact O-N 2.95Å; K573-V577 WeakPolarHBondContact O-CG2 3.48Å; K573-V577 PolarHBondContact O-N 3.04Å
574A94Very high89.1Confident48 Ų48101.1 Ų101.140%0.39750%0.5SS..Hα-helixtrans-62.5-41.8177.500000111.6N570 L571 E572 V577 I578N570-A574 WeakPolarHBondContact O-CB 3.44Å; N570-A574 PolarHBondContact O-N 3.02Å; L571-A574 PolarHBondContact O-N 3Å; E572-A574 VanDerWaalsContact C-N 3.34Å; E572-A574 PolarHBondContact O-N 2.92Å; A574-V577 PolarHBondContact O-N 3.3Å; A574-I578 VanDerWaalsContact O-CG1 3.3Å; A574-I578 WeakPolarHBondContact O-CG1 3.46Å; A574-I578 PolarHBondContact O-N 2.97Å
575R93.5Very high87.8Confident150 Ų15097.5 Ų97.557%0.56649%0.49SS*.Hα-helixtrans-61.5-42.4174-75173.1177.4-179.2-0.7112L571 E572 K573 I578 Y579L571-R575 WeakPolarHBondContact O-CG 3.33Å; L571-R575 PolarHBondContact O-N 3.4Å; E572-R575 PolarHBondContact O-N 2.92Å; K573-R575 VanDerWaalsContact C-N 3.34Å; K573-R575 PolarHBondContact O-N 2.64Å; R575-I578 PolarHBondContact O-N 2.94Å; R575-Y579 WeakPolarHBondContact O-CB 3.3Å; R575-Y579 PolarHBondContact O-N 3.29Å
576Q93.1Very high86.6Confident114 Ų11498.5 Ų98.553%0.53349%0.494SS..Hα-helixtrans-64.1-41.8176.4-72.1174.122.800112.3E572 K573 Y579 A580E572-Q576 WeakPolarHBondContact O-CG 3.47Å; E572-Q576 PolarHBondContact O-N 3.34Å; K573-Q576 PolarHBondContact O-N 2.95Å; Q576-Y579 PolarHBondContact O-N 2.84Å; Q576-A580 WeakPolarHBondContact O-CB 3.44Å; Q576-A580 PolarHBondContact O-N 3.09Å
577V89.2Confident85.2Confident86 Ų86100.8 Ų100.852%0.52151%0.506SS..Hα-helixtrans-63.5-44.9175.4171.40000111.1K573 A574 Y579 A580 L581K573-V577 WeakPolarHBondContact O-CG2 3.48Å; K573-V577 PolarHBondContact O-N 3.04Å; A574-V577 PolarHBondContact O-N 3.3Å; V577-Y579 VanDerWaalsContact C-N 3.33Å; V577-Y579 PolarHBondContact O-N 2.84Å; V577-A580 PolarHBondContact O-N 3.1Å; V577-L581 HydrophobicContact CG1-CD1 3.93Å; V577-L581 HydrophobicContact CG1-CG 4.34Å; V577-L581 WeakPolarHBondContact O-CB 3.48Å; V577-L581 WeakPolarHBondContact O-CG 3.4Å; V577-L581 PolarHBondContact O-N 3.28Å
578I85.7Confident83.6Confident111 Ų11196 Ų9657%0.56951%0.506SS*.Hα-helixtrans-60.9-44.2176.3-69167.2000110.4A574 R575 L581 N582A574-I578 VanDerWaalsContact O-CG1 3.3Å; A574-I578 WeakPolarHBondContact O-CG1 3.46Å; A574-I578 PolarHBondContact O-N 2.97Å; R575-I578 PolarHBondContact O-N 2.94Å; I578-L581 PolarHBondContact O-N 2.96Å; I578-N582 VanDerWaalsContact O-CB 3.29Å; I578-N582 WeakPolarHBondContact O-CB 3.48Å; I578-N582 PolarHBondContact O-N 3.24Å
579Y87.9Confident81.6Confident173 Ų17391.4 Ų91.468%0.67850%0.499SS*.Hα-helixtrans-63-43.6176.8-177.5-92.9000112.1R575 Q576 V577 N582 T583R575-Y579 WeakPolarHBondContact O-CB 3.3Å; R575-Y579 PolarHBondContact O-N 3.29Å; Q576-Y579 PolarHBondContact O-N 2.84Å; V577-Y579 VanDerWaalsContact C-N 3.33Å; V577-Y579 PolarHBondContact O-N 2.84Å; Y579-N582 PolarHBondContact O-N 3.28Å; Y579-T583 WeakPolarHBondContact O-CB 3.48Å; Y579-T583 PolarHBondContact O-N 2.53Å; Y579-T583 PolarHBondContact O-OG1 2.94Å
580A82.8Confident79.3Confident58 Ų5895.6 Ų95.648%0.47952%0.522SS..Hα-helixtrans-63.4-44.5177.100000111.8Q576 V577 T583 A584Q576-A580 WeakPolarHBondContact O-CB 3.44Å; Q576-A580 PolarHBondContact O-N 3.09Å; V577-A580 PolarHBondContact O-N 3.1Å; A580-T583 PolarHBondContact O-N 2.63Å; A580-A584 WeakPolarHBondContact O-CB 3.48Å; A580-A584 PolarHBondContact O-N 3.45Å
581L78.2Confident77.6Confident108 Ų10894.9 Ų94.957%0.56552%0.521SS*.Hα-helixtrans-62.2-44174.9-75.2172.2000111.6V577 I578 T583 A584 V585V577-L581 HydrophobicContact CG1-CD1 3.93Å; V577-L581 HydrophobicContact CG1-CG 4.34Å; V577-L581 WeakPolarHBondContact O-CB 3.48Å; V577-L581 WeakPolarHBondContact O-CG 3.4Å; V577-L581 PolarHBondContact O-N 3.28Å; I578-L581 PolarHBondContact O-N 2.96Å; L581-T583 VanDerWaalsContact C-N 3.29Å; L581-T583 PolarHBondContact O-N 3.32Å; L581-A584 PolarHBondContact O-N 3.49Å; L581-V585 WeakPolarHBondContact O-CB 3.29Å; L581-V585 VanDerWaalsContact O-CG2 3.25Å; L581-V585 WeakPolarHBondContact O-CG2 3.42Å; L581-V585 PolarHBondContact O-N 2.76Å
582N77.6Confident76Confident88 Ų8898.4 Ų98.447%0.47154%0.54SS..Hα-helixtrans-67.1-33.9179-147.3-20.5000111.5I578 Y579 K586I578-N582 VanDerWaalsContact O-CB 3.29Å; I578-N582 WeakPolarHBondContact O-CB 3.48Å; I578-N582 PolarHBondContact O-N 3.24Å; Y579-N582 PolarHBondContact O-N 3.28Å; N582-K586 WeakPolarHBondContact O-CB 3.42Å; N582-K586 WeakPolarHBondContact O-CG 3.45Å; N582-K586 PolarHBondContact O-N 3.41Å
583T79.1Confident74.6Confident49 Ų49101.9 Ų101.930%0.30155%0.551SS.*Hα-helixtrans-71.1-41.2173.2-53.20000111.5Y579 A580 L581 K586 C587Y579-T583 WeakPolarHBondContact O-CB 3.48Å; Y579-T583 PolarHBondContact O-N 2.53Å; Y579-T583 PolarHBondContact O-OG1 2.94Å; A580-T583 PolarHBondContact O-N 2.63Å; L581-T583 VanDerWaalsContact C-N 3.29Å; L581-T583 PolarHBondContact O-N 3.32Å; T583-K586 PolarHBondContact O-N 2.93Å; T583-C587 VanDerWaalsContact O-CB 3.32Å; T583-C587 WeakPolarHBondContact O-CB 3.31Å; T583-C587 PolarHBondContact O-N 3.05Å; T583-C587 PolarHBondContact O-SG 3.37Å; T583-C587 VanDerWaalsContact O-SG 3.4Å
584A70.9Confident73.5Confident34 Ų3499.4 Ų99.428%0.28155%0.547SS..Hα-helixtrans-63.2-43.4175.900000111.8A580 L581 K586 C587 G588 A589A580-A584 WeakPolarHBondContact O-CB 3.48Å; A580-A584 PolarHBondContact O-N 3.45Å; L581-A584 PolarHBondContact O-N 3.49Å; A584-K586 VanDerWaalsContact C-N 3.33Å; A584-K586 PolarHBondContact O-N 3.37Å; A584-C587 PolarHBondContact O-N 3.01Å; A584-G588 PolarHBondContact O-N 3.21Å; A584-A589 HydrophobicContact CB-CB 4.47Å; A584-A589 PolarHBondContact O-N 2.85Å; A584-A589 VanDerWaalsContact O-N 3.07Å
585V66.5Low72.3Confident72 Ų72102 Ų10244%0.43655%0.553SS.*Hα-helixtrans-61.3-40.1173.3170.20000111.2L581L581-V585 WeakPolarHBondContact O-CB 3.29Å; L581-V585 VanDerWaalsContact O-CG2 3.25Å; L581-V585 WeakPolarHBondContact O-CG2 3.42Å; L581-V585 PolarHBondContact O-N 2.76Å
586K69.4Low71.5Confident165 Ų16598.7 Ų98.772%0.71755%0.553SS**Hα-helixtrans-71.8-36.4176.1-79179.3-179.7-178.40113.8N582 T583 A584 G588N582-K586 WeakPolarHBondContact O-CB 3.42Å; N582-K586 WeakPolarHBondContact O-CG 3.45Å; N582-K586 PolarHBondContact O-N 3.41Å; T583-K586 PolarHBondContact O-N 2.93Å; A584-K586 VanDerWaalsContact C-N 3.33Å; A584-K586 PolarHBondContact O-N 3.37Å; K586-G588 VanDerWaalsContact C-N 3.31Å
587C66.3Low70.8Confident99 Ų9996.4 Ų96.467%0.66955%0.545SS*.THydrogen-bonded Turntrans-88.64.3-178.9-66.40000113.2T583 A584 A589T583-C587 VanDerWaalsContact O-CB 3.32Å; T583-C587 WeakPolarHBondContact O-CB 3.31Å; T583-C587 PolarHBondContact O-N 3.05Å; T583-C587 PolarHBondContact O-SG 3.37Å; T583-C587 VanDerWaalsContact O-SG 3.4Å; A584-C587 PolarHBondContact O-N 3.01Å; C587-A589 VanDerWaalsContact C-N 3.3Å; C587-A589 PolarHBondContact O-N 3.07Å
588G58.9Low70.1Confident63 Ų6396 Ų9665%0.64954%0.539SS*.THydrogen-bonded Turntrans67.125.6174.900000114.5A584 K586 D590A584-G588 PolarHBondContact O-N 3.21Å; K586-G588 VanDerWaalsContact C-N 3.31Å; G588-D590 PolarHBondContact O-N 3.14Å
589A51Low69.9Low53 Ų5396.6 Ų96.644%0.43854%0.539SS..  trans-84.6108.8-179.300000111A584 C587 T591A584-A589 HydrophobicContact CB-CB 4.47Å; A584-A589 PolarHBondContact O-N 2.85Å; A584-A589 VanDerWaalsContact O-N 3.07Å; C587-A589 VanDerWaalsContact C-N 3.3Å; C587-A589 PolarHBondContact O-N 3.07Å; A589-T591 PolarHBondContact O-N 3.37Å; A589-T591 VanDerWaalsContact O-N 3.1Å
590D48.5Very low69.8Low162 Ų16291.2 Ų91.287%0.86653%0.53SS*.SBendtrans42.244.2159.7-66.8-11.8000118.5G588G588-D590 PolarHBondContact O-N 3.14Å
591T55.2Low69.8Low84 Ų8492.6 Ų92.652%0.51553%0.528SS..  trans-92.5128.315149.50000108.8A589 Y593A589-T591 PolarHBondContact O-N 3.37Å; A589-T591 VanDerWaalsContact O-N 3.1Å; T591-Y593 CarbonylContact O-C 3.58Å; T591-Y593 PolarHBondContact O-N 3.48Å; T591-Y593 PolarHBondContact OG1-O 3.5Å
592N61.5Low70.2Confident151 Ų15194.2 Ų94.281%0.80753%0.53SS*.SBendtrans-52.3-7.1-176.9-84.622.2000116.5
593Y62.5Low70.8Confident143 Ų14393 Ų9356%0.56153%0.532SS*.SBendtrans-130123175.3-56.6-76.5000107.9T591 M601T591-Y593 CarbonylContact O-C 3.58Å; T591-Y593 PolarHBondContact O-N 3.48Å; T591-Y593 PolarHBondContact OG1-O 3.5Å; Y593-M601 HydrophobicContact CD1-CE 3.68Å; Y593-M601 HydrophobicContact CE1-CE 4.2Å; Y593-M601 HydrophobicContact CG-CE 4.22Å
594T72Confident71.5Confident76 Ų7693 Ų9347%0.46653%0.534SS..  trans-73.7161.6172.267.90000109.7S596 D597 I598T594-S596 PolarHBondContact O-N 2.99Å; T594-D597 WeakPolarHBondContact CB-OD2 3.4Å; T594-D597 PolarHBondContact N-OD2 2.85Å; T594-D597 WeakPolarHBondContact O-CB 3.31Å; T594-D597 PolarHBondContact O-N 2.89Å; T594-D597 PolarHBondContact OG1-N 3.26Å; T594-D597 PolarHBondContact OG1-OD2 2.99Å; T594-I598 PolarHBondContact O-N 2.99Å; T594-I598 VanDerWaalsContact O-N 3.14Å
595I68.6Low72.4Confident103 Ų10395.9 Ų95.953%0.52854%0.544SS..Hα-helixtrans-54.4-37.8173.9-66.1169.6000110.6D597 I598 E599I595-D597 VanDerWaalsContact C-N 3.33Å; I595-D597 PolarHBondContact O-N 3.25Å; I595-I598 PolarHBondContact O-N 3.07Å; I595-E599 HydrophobicContact CG2-CG 4.45Å; I595-E599 WeakPolarHBondContact O-CG 3.46Å; I595-E599 PolarHBondContact O-N 3.47Å
596S76.6Confident73.7Confident80 Ų8094.4 Ų94.456%0.55954%0.539SS*.Hα-helixtrans-61.2-39.1175.7-172.10000112.5T594 E599 A600T594-S596 PolarHBondContact O-N 2.99Å; S596-E599 PolarHBondContact O-N 2.94Å; S596-A600 WeakPolarHBondContact O-CB 3.46Å; S596-A600 PolarHBondContact O-N 2.93Å
597D77.7Confident74.8Confident67 Ų6792.7 Ų92.736%0.35853%0.534SS..Hα-helixtrans-68.3-39.4177.6-58.6-47000111.2T594 I595 A600 M601T594-D597 WeakPolarHBondContact CB-OD2 3.4Å; T594-D597 PolarHBondContact N-OD2 2.85Å; T594-D597 WeakPolarHBondContact O-CB 3.31Å; T594-D597 PolarHBondContact O-N 2.89Å; T594-D597 PolarHBondContact OG1-N 3.26Å; T594-D597 PolarHBondContact OG1-OD2 2.99Å; I595-D597 VanDerWaalsContact C-N 3.33Å; I595-D597 PolarHBondContact O-N 3.25Å; D597-A600 PolarHBondContact O-N 2.94Å; D597-M601 HydrophobicContact CB-CE 4.14Å; D597-M601 WeakPolarHBondContact O-CB 3.35Å; D597-M601 WeakPolarHBondContact O-CE 3.29Å; D597-M601 WeakPolarHBondContact O-CG 3.46Å; D597-M601 PolarHBondContact O-N 2.85Å
598I74.6Confident76.2Confident78 Ų7894.5 Ų94.540%0.453%0.53SS..Hα-helixtrans-65.2-42176.5-62.8173000110.5T594 I595 M601 K602T594-I598 PolarHBondContact O-N 2.99Å; T594-I598 VanDerWaalsContact O-N 3.14Å; I595-I598 PolarHBondContact O-N 3.07Å; I598-M601 PolarHBondContact O-N 3.43Å; I598-K602 HydrophobicContact CG2-CD 4.5Å; I598-K602 WeakPolarHBondContact O-CG 3.42Å; I598-K602 PolarHBondContact O-N 3.15Å
599E82.5Confident77.9Confident123 Ų12397.2 Ų97.258%0.57553%0.526SS*.Hα-helixtrans-66.2-40.8176-73.3178.6174.600112.1I595 S596 K602 A603I595-E599 HydrophobicContact CG2-CG 4.45Å; I595-E599 WeakPolarHBondContact O-CG 3.46Å; I595-E599 PolarHBondContact O-N 3.47Å; S596-E599 PolarHBondContact O-N 2.94Å; E599-K602 PolarHBondContact O-N 3.26Å; E599-A603 WeakPolarHBondContact O-CB 3.38Å; E599-A603 PolarHBondContact O-N 3.28Å
600A84.4Confident80Confident59 Ų59102.3 Ų102.349%0.48853%0.534SS..Hα-helixtrans-63.1-41.1174.100000112.1S596 D597 A603 S604S596-A600 WeakPolarHBondContact O-CB 3.46Å; S596-A600 PolarHBondContact O-N 2.93Å; D597-A600 PolarHBondContact O-N 2.94Å; A600-A603 PolarHBondContact O-N 2.97Å; A600-S604 WeakPolarHBondContact O-CB 3.49Å; A600-S604 PolarHBondContact O-N 3.36Å
601M82.9Confident82.2Confident88 Ų8899.8 Ų99.843%0.43352%0.518SS..Hα-helixtrans-63.8-43.3174.9-77.8-173.6-98.100111.8Y593 D597 I598 A603 S604 I605Y593-M601 HydrophobicContact CD1-CE 3.68Å; Y593-M601 HydrophobicContact CE1-CE 4.2Å; Y593-M601 HydrophobicContact CG-CE 4.22Å; D597-M601 HydrophobicContact CB-CE 4.14Å; D597-M601 WeakPolarHBondContact O-CB 3.35Å; D597-M601 WeakPolarHBondContact O-CE 3.29Å; D597-M601 WeakPolarHBondContact O-CG 3.46Å; D597-M601 PolarHBondContact O-N 2.85Å; I598-M601 PolarHBondContact O-N 3.43Å; M601-A603 PolarHBondContact O-N 3.45Å; M601-S604 PolarHBondContact O-N 3.48Å; M601-I605 WeakPolarHBondContact O-CG1 3.25Å; M601-I605 PolarHBondContact O-N 3.35Å
602K87.1Confident84Confident142 Ų142100.1 Ų100.162%0.61752%0.516SS*.Hα-helixtrans-60.5-43.7174.4-75176.2179.4178.90112I598 E599 S604 I605 A606I598-K602 HydrophobicContact CG2-CD 4.5Å; I598-K602 WeakPolarHBondContact O-CG 3.42Å; I598-K602 PolarHBondContact O-N 3.15Å; E599-K602 PolarHBondContact O-N 3.26Å; K602-S604 VanDerWaalsContact C-N 3.34Å; K602-S604 PolarHBondContact O-N 2.95Å; K602-I605 PolarHBondContact O-N 2.83Å; K602-A606 PolarHBondContact O-N 2.88Å
603A89.8Confident85.6Confident61 Ų6199.1 Ų99.150%0.50451%0.506SS..Hα-helixtrans-63-39.7176.200000112.2E599 A600 M601 A606 Q607E599-A603 WeakPolarHBondContact O-CB 3.38Å; E599-A603 PolarHBondContact O-N 3.28Å; A600-A603 PolarHBondContact O-N 2.97Å; M601-A603 PolarHBondContact O-N 3.45Å; A603-A606 PolarHBondContact O-N 2.9Å; A603-Q607 PolarHBondContact O-N 3.43Å
604S93.6Very high87.1Confident49 Ų4997.2 Ų97.234%0.34351%0.506SS..Hα-helixtrans-65.6-39.9176.2-171.40000112.5A600 M601 K602 Q607 K608A600-S604 WeakPolarHBondContact O-CB 3.49Å; A600-S604 PolarHBondContact O-N 3.36Å; M601-S604 PolarHBondContact O-N 3.48Å; K602-S604 VanDerWaalsContact C-N 3.34Å; K602-S604 PolarHBondContact O-N 2.95Å; S604-Q607 PolarHBondContact O-N 3.49Å; S604-K608 WeakPolarHBondContact O-CG 3.33Å; S604-K608 PolarHBondContact O-N 2.83Å
605I90.8Very high88.2Confident96 Ų9698.2 Ų98.249%0.49251%0.508SS..Hα-helixtrans-61.8-49.6174.8-69.5165.9000110M601 K602 Q607 K608 E609M601-I605 WeakPolarHBondContact O-CG1 3.25Å; M601-I605 PolarHBondContact O-N 3.35Å; K602-I605 PolarHBondContact O-N 2.83Å; I605-Q607 PolarHBondContact O-N 3.24Å; I605-K608 PolarHBondContact O-N 3.36Å; I605-E609 HydrophobicContact CG2-CG 4.39Å; I605-E609 WeakPolarHBondContact O-CG 3.29Å; I605-E609 PolarHBondContact O-N 2.99Å
606A93.3Very high89.4Confident40 Ų4098.7 Ų98.733%0.33151%0.508SS..Hα-helixtrans-62.4-28.8178.100000113.4K602 A603 R610K602-A606 PolarHBondContact O-N 2.88Å; A603-A606 PolarHBondContact O-N 2.9Å; A606-R610 PolarHBondContact O-N 2.88Å; A606-R610 PolarHBondContact O-NE 3.28Å
607Q93.9Very high90.3Very high129 Ų12999.4 Ų99.460%0.60350%0.502SS*.Hα-helixtrans-71.9-43.3172.5-175.1-177.42.700111.7A603 S604 I605 R610 M611A603-Q607 PolarHBondContact O-N 3.43Å; S604-Q607 PolarHBondContact O-N 3.49Å; I605-Q607 PolarHBondContact O-N 3.24Å; Q607-R610 PolarHBondContact O-N 2.82Å; Q607-M611 PolarHBondContact O-N 2.91Å
608K94.1Very high91.1Very high137 Ų13799.3 Ų99.360%0.59651%0.507SS*.Hα-helixtrans-65.8-38.3177.8-72.9178.6-178.6178.20111.9S604 I605 M611 I612S604-K608 WeakPolarHBondContact O-CG 3.33Å; S604-K608 PolarHBondContact O-N 2.83Å; I605-K608 PolarHBondContact O-N 3.36Å; K608-M611 PolarHBondContact O-N 2.9Å; K608-I612 VanDerWaalsContact O-CG1 3.3Å; K608-I612 WeakPolarHBondContact O-CG1 3.37Å; K608-I612 PolarHBondContact O-N 3.18Å
609E95.3Very high92Very high121 Ų121101.3 Ų101.357%0.56552%0.518SS*.Hα-helixtrans-59.9-46.7175.1-73172.416400111.6I605 M611 I612 E613I605-E609 HydrophobicContact CG2-CG 4.39Å; I605-E609 WeakPolarHBondContact O-CG 3.29Å; I605-E609 PolarHBondContact O-N 2.99Å; E609-M611 PolarHBondContact O-N 3.45Å; E609-I612 PolarHBondContact O-N 2.93Å; E609-E613 PolarHBondContact O-N 3.31Å; E609-E613 VanDerWaalsContact O-N 3.1Å
610R94.7Very high92.6Very high160 Ų16099.9 Ų99.960%0.60451%0.514SS*.Hα-helixtrans-60.7-42173.9-79.1-174.2-76.4172.2-4.3113.1A606 Q607 I612 E613 D614A606-R610 PolarHBondContact O-N 2.88Å; A606-R610 PolarHBondContact O-NE 3.28Å; Q607-R610 PolarHBondContact O-N 2.82Å; R610-I612 VanDerWaalsContact C-N 3.29Å; R610-I612 PolarHBondContact O-N 3.37Å; R610-E613 PolarHBondContact O-N 2.84Å; R610-D614 PolarHBondContact O-N 2.87Å
611M96Very high93.2Very high108 Ų108104.4 Ų104.453%0.53252%0.519SS..Hα-helixtrans-62.3-37.5177.2-175.767.7-173.900112.2Q607 K608 E609 L615Q607-M611 PolarHBondContact O-N 2.91Å; K608-M611 PolarHBondContact O-N 2.9Å; E609-M611 PolarHBondContact O-N 3.45Å; M611-L615 HydrophobicContact CE-CD1 4.07Å; M611-L615 HydrophobicContact CE-CD2 4.3Å; M611-L615 HydrophobicContact CE-CG 4.12Å; M611-L615 HydrophobicContact CG-CD1 4.29Å; M611-L615 WeakPolarHBondContact O-CB 3.46Å; M611-L615 VanDerWaalsContact O-CG 3.29Å; M611-L615 WeakPolarHBondContact O-CG 3.33Å; M611-L615 PolarHBondContact O-N 3.36Å
612I91.6Very high93.7Very high91 Ų91103.2 Ų103.247%0.46752%0.516SS..Hα-helixtrans-66.1-42.4176.6-69.7164.8000110.3K608 E609 R610 L615 Q616K608-I612 VanDerWaalsContact O-CG1 3.3Å; K608-I612 WeakPolarHBondContact O-CG1 3.37Å; K608-I612 PolarHBondContact O-N 3.18Å; E609-I612 PolarHBondContact O-N 2.93Å; R610-I612 VanDerWaalsContact C-N 3.29Å; R610-I612 PolarHBondContact O-N 3.37Å; I612-L615 PolarHBondContact O-N 2.73Å; I612-Q616 HydrophobicContact CG2-CG 4.36Å; I612-Q616 WeakPolarHBondContact O-CB 3.37Å; I612-Q616 VanDerWaalsContact O-CG 3.27Å; I612-Q616 WeakPolarHBondContact O-CG 3.48Å; I612-Q616 PolarHBondContact O-N 2.92Å
613E95Very high94.1Very high130 Ų130103.2 Ų103.261%0.60752%0.516SS*.Hα-helixtrans-61.3-46.7177.5-166.6169.7-161.800111.7E609 R610 L615 Q616 E617E609-E613 PolarHBondContact O-N 3.31Å; E609-E613 VanDerWaalsContact O-N 3.1Å; R610-E613 PolarHBondContact O-N 2.84Å; E613-L615 VanDerWaalsContact C-N 3.35Å; E613-L615 PolarHBondContact O-N 3.4Å; E613-Q616 PolarHBondContact O-N 3.29Å; E613-E617 PolarHBondContact O-N 3.09Å
614D95Very high94.4Very high103 Ų103104.8 Ų104.855%0.55152%0.515SS*.Hα-helixtrans-60-42.2175.7-73.6-17.5000112.3R610 E617 S618R610-D614 PolarHBondContact O-N 2.87Å; D614-E617 PolarHBondContact O-N 2.92Å; D614-S618 WeakPolarHBondContact O-CB 3.35Å; D614-S618 PolarHBondContact O-N 3.03Å
615L94.2Very high94.4Very high98 Ų98107.4 Ų107.451%0.51352%0.523SS..Hα-helixtrans-66.4-39177.1-76172.8000112.1M611 I612 E613 S618 L619M611-L615 HydrophobicContact CE-CD1 4.07Å; M611-L615 HydrophobicContact CE-CD2 4.3Å; M611-L615 HydrophobicContact CE-CG 4.12Å; M611-L615 HydrophobicContact CG-CD1 4.29Å; M611-L615 WeakPolarHBondContact O-CB 3.46Å; M611-L615 VanDerWaalsContact O-CG 3.29Å; M611-L615 WeakPolarHBondContact O-CG 3.33Å; M611-L615 PolarHBondContact O-N 3.36Å; I612-L615 PolarHBondContact O-N 2.73Å; E613-L615 VanDerWaalsContact C-N 3.35Å; E613-L615 PolarHBondContact O-N 3.4Å; L615-S618 PolarHBondContact O-N 3.46Å; L615-L619 WeakPolarHBondContact O-CB 3.48Å; L615-L619 PolarHBondContact O-N 3.45Å
616Q94.7Very high94.5Very high113 Ų113110.2 Ų110.253%0.52853%0.529SS..Hα-helixtrans-65.7-41176-75.8175.5-16.600111.5I612 E613 L619 N620I612-Q616 HydrophobicContact CG2-CG 4.36Å; I612-Q616 WeakPolarHBondContact O-CB 3.37Å; I612-Q616 VanDerWaalsContact O-CG 3.27Å; I612-Q616 WeakPolarHBondContact O-CG 3.48Å; I612-Q616 PolarHBondContact O-N 2.92Å; E613-Q616 PolarHBondContact O-N 3.29Å; Q616-L619 PolarHBondContact O-N 2.9Å; Q616-N620 PolarHBondContact O-N 2.91Å; Q616-N620 PolarHBondContact O-ND2 3.22Å
617E95.2Very high94.6Very high95 Ų95112.2 Ų112.244%0.44453%0.531SS..Hα-helixtrans-65.4-42.8175.9-161.4-174.9167.100111.6E613 D614 L619 N620 R621E613-E617 PolarHBondContact O-N 3.09Å; D614-E617 PolarHBondContact O-N 2.92Å; E617-L619 PolarHBondContact O-N 3.29Å; E617-N620 PolarHBondContact O-N 2.92Å; E617-R621 WeakPolarHBondContact O-CG 3.24Å; E617-R621 PolarHBondContact O-N 3.44Å; E617-R621 IonicContact OE1-CZ 3.37Å; E617-R621 IonicContact OE1-NE 3.07Å; E617-R621 PolarHBondContact OE1-NE 3.12Å; E617-R621 IonicContact OE1-NH2 3.52Å; E617-R621 PolarHBondContact OE1-NH2 3.36Å; E617-R621 IonicContact OE2-NH2 2.98Å
618S94.8Very high94.6Very high64 Ų64110.8 Ų110.845%0.44852%0.524SS..Hα-helixtrans-60.5-43.3175.1-177.60000112.7D614 L615 N620 R621 T622D614-S618 WeakPolarHBondContact O-CB 3.35Å; D614-S618 PolarHBondContact O-N 3.03Å; L615-S618 PolarHBondContact O-N 3.46Å; S618-N620 PolarHBondContact O-N 3.34Å; S618-R621 PolarHBondContact O-N 3.14Å; S618-T622 WeakPolarHBondContact O-CB 3.47Å; S618-T622 PolarHBondContact O-N 2.9Å; S618-T622 PolarHBondContact O-OG1 3.32Å
619L93.9Very high94.6Very high121 Ų121109.3 Ų109.363%0.63452%0.52SS*.Hα-helixtrans-60.4-45.6174.9-174.585.8000111.2L615 Q616 E617 T622 K623L615-L619 WeakPolarHBondContact O-CB 3.48Å; L615-L619 PolarHBondContact O-N 3.45Å; Q616-L619 PolarHBondContact O-N 2.9Å; E617-L619 PolarHBondContact O-N 3.29Å; L619-T622 PolarHBondContact O-N 3.35Å; L619-K623 WeakPolarHBondContact O-CB 3.36Å; L619-K623 PolarHBondContact O-N 3.33Å
620N95.3Very high94.5Very high93 Ų93109.9 Ų109.950%0.49752%0.522SS..Hα-helixtrans-62.9-44178.6-78.7-26.2000111.9Q616 E617 S618 T622 K623 I624Q616-N620 PolarHBondContact O-N 2.91Å; Q616-N620 PolarHBondContact O-ND2 3.22Å; E617-N620 PolarHBondContact O-N 2.92Å; S618-N620 PolarHBondContact O-N 3.34Å; N620-T622 VanDerWaalsContact C-N 3.33Å; N620-T622 PolarHBondContact O-N 2.93Å; N620-K623 PolarHBondContact O-N 3.38Å; N620-I624 WeakPolarHBondContact O-CG1 3.48Å; N620-I624 PolarHBondContact O-N 3.3Å
621R95.4Very high94.5Very high154 Ų154109.2 Ų109.258%0.58152%0.52SS*.Hα-helixtrans-60.1-43.9174.9-70.7175.6-175.1-167.24.2111.7E617 S618 I624 M625E617-R621 WeakPolarHBondContact O-CG 3.24Å; E617-R621 PolarHBondContact O-N 3.44Å; E617-R621 IonicContact OE1-CZ 3.37Å; E617-R621 IonicContact OE1-NE 3.07Å; E617-R621 PolarHBondContact OE1-NE 3.12Å; E617-R621 IonicContact OE1-NH2 3.52Å; E617-R621 PolarHBondContact OE1-NH2 3.36Å; E617-R621 IonicContact OE2-NH2 2.98Å; S618-R621 PolarHBondContact O-N 3.14Å; R621-I624 PolarHBondContact O-N 2.86Å; R621-M625 WeakPolarHBondContact O-CG 3.48Å; R621-M625 PolarHBondContact O-N 2.87Å
622T94.6Very high94.3Very high62 Ų62110.4 Ų110.438%0.3853%0.528SS..Hα-helixtrans-62.8-42.6178-58.10000111.5S618 L619 N620 I624 M625 Y626S618-T622 WeakPolarHBondContact O-CB 3.47Å; S618-T622 PolarHBondContact O-N 2.9Å; S618-T622 PolarHBondContact O-OG1 3.32Å; L619-T622 PolarHBondContact O-N 3.35Å; N620-T622 VanDerWaalsContact C-N 3.33Å; N620-T622 PolarHBondContact O-N 2.93Å; T622-I624 PolarHBondContact O-N 3.48Å; T622-M625 PolarHBondContact O-N 2.88Å; T622-Y626 HydrophobicContact CG2-CD2 3.64Å; T622-Y626 HydrophobicContact CG2-CE2 3.39Å; T622-Y626 VanDerWaalsContact O-CD2 3.23Å; T622-Y626 WeakPolarHBondContact O-CD2 3.45Å; T622-Y626 PolarHBondContact O-N 3.44Å
623K95.5Very high94.4Very high142 Ų142111.7 Ų111.762%0.61753%0.534SS*.Hα-helixtrans-61.7-42.6176.6-171.7178.8179.1-177.80112.2L619 N620 M625 Y626 E627L619-K623 WeakPolarHBondContact O-CB 3.36Å; L619-K623 PolarHBondContact O-N 3.33Å; N620-K623 PolarHBondContact O-N 3.38Å; K623-M625 VanDerWaalsContact C-N 3.35Å; K623-Y626 PolarHBondContact O-N 3.25Å; K623-E627 WeakPolarHBondContact O-CB 3.43Å; K623-E627 PolarHBondContact O-N 3.44Å
624I95.7Very high94.3Very high94 Ų94108.6 Ų108.648%0.48252%0.524SS..Hα-helixtrans-63.6-41.4176.5-66.4165.4000110.9N620 R621 T622 E627 Q628N620-I624 WeakPolarHBondContact O-CG1 3.48Å; N620-I624 PolarHBondContact O-N 3.3Å; R621-I624 PolarHBondContact O-N 2.86Å; T622-I624 PolarHBondContact O-N 3.48Å; I624-E627 PolarHBondContact O-N 3.12Å; I624-Q628 WeakPolarHBondContact O-CG 3.4Å; I624-Q628 PolarHBondContact O-N 3.39Å
625M94Very high94.2Very high104 Ų104107.2 Ų107.251%0.51252%0.52SS..Hα-helixtrans-61.8-49.1175.9-71-93.296.900111.4R621 T622 K623 E627 Q628 E629R621-M625 WeakPolarHBondContact O-CG 3.48Å; R621-M625 PolarHBondContact O-N 2.87Å; T622-M625 PolarHBondContact O-N 2.88Å; K623-M625 VanDerWaalsContact C-N 3.35Å; M625-E627 VanDerWaalsContact C-N 3.31Å; M625-E627 PolarHBondContact O-N 3.34Å; M625-Q628 WeakPolarHBondContact O-CB 3.45Å; M625-Q628 PolarHBondContact O-N 2.74Å; M625-Q628 VanDerWaalsContact O-N 3.11Å; M625-E629 WeakPolarHBondContact O-CG 3.38Å; M625-E629 PolarHBondContact O-N 3.45Å
626Y93.2Very high94Very high155 Ų155105.1 Ų105.161%0.60852%0.517SS*.Hα-helixtrans-58.9-41.3177.3-82.8-61.5000112.6T622 K623 Q628 E629 E630T622-Y626 HydrophobicContact CG2-CD2 3.64Å; T622-Y626 HydrophobicContact CG2-CE2 3.39Å; T622-Y626 VanDerWaalsContact O-CD2 3.23Å; T622-Y626 WeakPolarHBondContact O-CD2 3.45Å; T622-Y626 PolarHBondContact O-N 3.44Å; K623-Y626 PolarHBondContact O-N 3.25Å; Y626-Q628 VanDerWaalsContact C-N 3.32Å; Y626-Q628 PolarHBondContact O-N 2.88Å; Y626-E629 PolarHBondContact O-N 3.44Å; Y626-E630 WeakPolarHBondContact O-CB 3.4Å; Y626-E630 PolarHBondContact O-N 3.37Å
627E95.3Very high93.8Very high82 Ų82106 Ų10638%0.38352%0.519SS..Hα-helixtrans-65.5-35.2177.4-169.9-179.7166.400112.1K623 I624 M625 R631K623-E627 WeakPolarHBondContact O-CB 3.43Å; K623-E627 PolarHBondContact O-N 3.44Å; I624-E627 PolarHBondContact O-N 3.12Å; M625-E627 VanDerWaalsContact C-N 3.31Å; M625-E627 PolarHBondContact O-N 3.34Å; E627-R631 WeakPolarHBondContact O-CG 3.39Å; E627-R631 PolarHBondContact O-N 3.06Å; E627-R631 VanDerWaalsContact O-N 3.15Å; E627-R631 IonicContact OE1-CZ 2.62Å; E627-R631 VanDerWaalsContact OE1-CZ 3.3Å; E627-R631 IonicContact OE1-NH1 2.73Å; E627-R631 PolarHBondContact OE1-NH1 3.41Å; E627-R631 IonicContact OE1-NH2 2.71Å; E627-R631 PolarHBondContact OE1-NH2 3.37Å
628Q93.8Very high93.5Very high99 Ų99107 Ų10746%0.46352%0.523SS..Hα-helixtrans-68.7-43172.9-73.1179.4-0.700112I624 M625 Y626 R631 L632I624-Q628 WeakPolarHBondContact O-CG 3.4Å; I624-Q628 PolarHBondContact O-N 3.39Å; M625-Q628 WeakPolarHBondContact O-CB 3.45Å; M625-Q628 PolarHBondContact O-N 2.74Å; M625-Q628 VanDerWaalsContact O-N 3.11Å; Y626-Q628 VanDerWaalsContact C-N 3.32Å; Y626-Q628 PolarHBondContact O-N 2.88Å; Q628-R631 PolarHBondContact O-N 3.28Å; Q628-L632 PolarHBondContact O-N 3.1Å
629E93.1Very high93.2Very high107 Ų107110.2 Ų110.250%0.553%0.531SS..Hα-helixtrans-61.4-44.7175.7-73.3179.5175.700111.5M625 Y626 R631 L632 I633M625-E629 WeakPolarHBondContact O-CG 3.38Å; M625-E629 PolarHBondContact O-N 3.45Å; Y626-E629 PolarHBondContact O-N 3.44Å; E629-R631 VanDerWaalsContact C-N 3.33Å; E629-R631 PolarHBondContact O-N 2.97Å; E629-L632 WeakPolarHBondContact O-CB 3.35Å; E629-L632 PolarHBondContact O-N 3.07Å; E629-L632 VanDerWaalsContact O-N 3.11Å; E629-I633 VanDerWaalsContact O-CG1 3.28Å; E629-I633 WeakPolarHBondContact O-CG1 3.44Å; E629-I633 PolarHBondContact O-N 3.42Å
630E93.2Very high92.9Very high132 Ų132109.4 Ų109.462%0.61753%0.527SS*.Hα-helixtrans-61.2-41177.5-168.2-179.9-177.300111.7Y626 I633 T634Y626-E630 WeakPolarHBondContact O-CB 3.4Å; Y626-E630 PolarHBondContact O-N 3.37Å; E630-I633 PolarHBondContact O-N 3.11Å; E630-T634 VanDerWaalsContact O-CB 3.3Å; E630-T634 WeakPolarHBondContact O-CB 3.46Å; E630-T634 PolarHBondContact O-N 2.94Å; E630-T634 PolarHBondContact O-OG1 2.93Å
631R94.3Very high92.4Very high147 Ų147108.3 Ų108.356%0.55552%0.523SS*.Hα-helixtrans-62.8-40.9172.9-76.5178.2177.5134.18.9112.3E627 Q628 E629 T635E627-R631 WeakPolarHBondContact O-CG 3.39Å; E627-R631 PolarHBondContact O-N 3.06Å; E627-R631 VanDerWaalsContact O-N 3.15Å; E627-R631 IonicContact OE1-CZ 2.62Å; E627-R631 VanDerWaalsContact OE1-CZ 3.3Å; E627-R631 IonicContact OE1-NH1 2.73Å; E627-R631 PolarHBondContact OE1-NH1 3.41Å; E627-R631 IonicContact OE1-NH2 2.71Å; E627-R631 PolarHBondContact OE1-NH2 3.37Å; Q628-R631 PolarHBondContact O-N 3.28Å; E629-R631 VanDerWaalsContact C-N 3.33Å; E629-R631 PolarHBondContact O-N 2.97Å; R631-T635 WeakPolarHBondContact O-CB 3.41Å; R631-T635 PolarHBondContact O-N 3.19Å; R631-T635 PolarHBondContact O-OG1 3.49Å
632L93.5Very high92Very high133 Ų133104.6 Ų104.670%0.69652%0.521SS*.Hα-helixtrans-65.1-46.3178.4-131.579.4000111.1Q628 E629 T635 A636Q628-L632 PolarHBondContact O-N 3.1Å; E629-L632 WeakPolarHBondContact O-CB 3.35Å; E629-L632 PolarHBondContact O-N 3.07Å; E629-L632 VanDerWaalsContact O-N 3.11Å; L632-T635 PolarHBondContact O-N 3.07Å; L632-A636 WeakPolarHBondContact O-CB 3.47Å; L632-A636 PolarHBondContact O-N 2.87Å
633I92.7Very high91.5Very high117 Ų117104.3 Ų104.360%0.652%0.522SS*.Hα-helixtrans-61.5-46.2177.6-67.4165.1000110.3E629 E630 T635 A636 F637E629-I633 VanDerWaalsContact O-CG1 3.28Å; E629-I633 WeakPolarHBondContact O-CG1 3.44Å; E629-I633 PolarHBondContact O-N 3.42Å; E630-I633 PolarHBondContact O-N 3.11Å; I633-T635 VanDerWaalsContact C-N 3.33Å; I633-T635 PolarHBondContact O-N 3.36Å; I633-A636 PolarHBondContact O-N 3.47Å; I633-F637 WeakPolarHBondContact O-CB 3.37Å; I633-F637 PolarHBondContact O-N 2.83Å
634T92.3Very high90.9Very high66 Ų66101.4 Ų101.441%0.40551%0.513SS..Hα-helixtrans-60.9-43.4178.1-58.30000111.3E630 F637 H638E630-T634 VanDerWaalsContact O-CB 3.3Å; E630-T634 WeakPolarHBondContact O-CB 3.46Å; E630-T634 PolarHBondContact O-N 2.94Å; E630-T634 PolarHBondContact O-OG1 2.93Å; T634-F637 PolarHBondContact O-N 2.7Å; T634-H638 PolarHBondContact O-CD2 3.4Å; T634-H638 PolarHBondContact O-N 3.16Å
635T92.7Very high90.2Very high74 Ų7499.2 Ų99.245%0.45451%0.509SS..Hα-helixtrans-63.8-48.5177.3-54.50000111.1R631 L632 I633 F637 H638 E639R631-T635 WeakPolarHBondContact O-CB 3.41Å; R631-T635 PolarHBondContact O-N 3.19Å; R631-T635 PolarHBondContact O-OG1 3.49Å; L632-T635 PolarHBondContact O-N 3.07Å; I633-T635 VanDerWaalsContact C-N 3.33Å; I633-T635 PolarHBondContact O-N 3.36Å; T635-F637 VanDerWaalsContact C-N 3.28Å; T635-F637 PolarHBondContact O-N 3.09Å; T635-H638 PolarHBondContact O-N 2.89Å; T635-E639 WeakPolarHBondContact O-CG 3.35Å; T635-E639 PolarHBondContact O-N 3.07Å
636A91.5Very high89.5Confident54 Ų54102 Ų10245%0.44651%0.514SS..Hα-helixtrans-60-38.2177.500000112.2L632 I633 E639 L640L632-A636 WeakPolarHBondContact O-CB 3.47Å; L632-A636 PolarHBondContact O-N 2.87Å; I633-A636 PolarHBondContact O-N 3.47Å; A636-E639 PolarHBondContact O-N 3.33Å; A636-L640 WeakPolarHBondContact O-CB 3.46Å; A636-L640 PolarHBondContact O-N 3.42Å
637F89.6Confident89.1Confident131 Ų131100 Ų10058%0.57551%0.51SS*.Hα-helixtrans-64.1-47.5175.2-176.8-99.3000111.9I633 T634 T635 E639 L640 V641I633-F637 WeakPolarHBondContact O-CB 3.37Å; I633-F637 PolarHBondContact O-N 2.83Å; T634-F637 PolarHBondContact O-N 2.7Å; T635-F637 VanDerWaalsContact C-N 3.28Å; T635-F637 PolarHBondContact O-N 3.09Å; F637-E639 VanDerWaalsContact C-N 3.33Å; F637-E639 PolarHBondContact O-N 3.46Å; F637-L640 PolarHBondContact O-N 2.85Å; F637-V641 HydrophobicContact CD1-CG2 4.2Å; F637-V641 HydrophobicContact CE1-CG2 3.81Å; F637-V641 HydrophobicContact CE2-CG2 4.24Å; F637-V641 HydrophobicContact CZ-CG2 3.84Å; F637-V641 VanDerWaalsContact O-CG2 3.32Å; F637-V641 WeakPolarHBondContact O-CG2 3.39Å; F637-V641 PolarHBondContact O-N 3.1Å
638H88.4Confident88.4Confident116 Ų116102 Ų10254%0.53752%0.522SS..Hα-helixtrans-62.7-38.3176.7-79.5-64.2000112.8T634 T635 S642T634-H638 PolarHBondContact O-CD2 3.4Å; T634-H638 PolarHBondContact O-N 3.16Å; T635-H638 PolarHBondContact O-N 2.89Å; H638-S642 VanDerWaalsContact O-CB 3.26Å; H638-S642 WeakPolarHBondContact O-CB 3.28Å; H638-S642 PolarHBondContact O-N 3.21Å; H638-S642 PolarHBondContact O-OG 3.45Å
639E89.6Confident87.8Confident132 Ų132103.9 Ų103.962%0.61753%0.531SS*.Hα-helixtrans-65.1-43.2175.1-73.9-178.617700111.8T635 A636 F637 S642 S643T635-E639 WeakPolarHBondContact O-CG 3.35Å; T635-E639 PolarHBondContact O-N 3.07Å; A636-E639 PolarHBondContact O-N 3.33Å; F637-E639 VanDerWaalsContact C-N 3.33Å; F637-E639 PolarHBondContact O-N 3.46Å; E639-S642 PolarHBondContact O-N 3.39Å; E639-S643 VanDerWaalsContact O-CB 3.24Å; E639-S643 WeakPolarHBondContact O-CB 3.4Å; E639-S643 PolarHBondContact O-N 2.94Å
640L86.8Confident87.2Confident104 Ų104105.2 Ų105.255%0.54553%0.531SS..Hα-helixtrans-64.8-44.8177.3-171.1113.5000111.6A636 F637 S643 N644A636-L640 WeakPolarHBondContact O-CB 3.46Å; A636-L640 PolarHBondContact O-N 3.42Å; F637-L640 PolarHBondContact O-N 2.85Å; L640-S643 PolarHBondContact O-N 3.37Å; L640-N644 WeakPolarHBondContact O-CB 3.35Å; L640-N644 PolarHBondContact O-N 2.97Å
641V86Confident86.6Confident69 Ų69104.7 Ų104.742%0.41853%0.527SS..Hα-helixtrans-62.7-44.1176.6171.60000110.6F637 N644 A645F637-V641 HydrophobicContact CD1-CG2 4.2Å; F637-V641 HydrophobicContact CE1-CG2 3.81Å; F637-V641 HydrophobicContact CE2-CG2 4.24Å; F637-V641 HydrophobicContact CZ-CG2 3.84Å; F637-V641 VanDerWaalsContact O-CG2 3.32Å; F637-V641 WeakPolarHBondContact O-CG2 3.39Å; F637-V641 PolarHBondContact O-N 3.1Å; V641-N644 PolarHBondContact O-N 3.12Å; V641-A645 VanDerWaalsContact O-CB 3.26Å; V641-A645 WeakPolarHBondContact O-CB 3.28Å; V641-A645 PolarHBondContact O-N 2.89Å
642S85.6Confident85.8Confident76 Ų7699.3 Ų99.353%0.53151%0.514SS..Hα-helixtrans-65.7-41.6178.2-60.80000112H638 E639 W646H638-S642 VanDerWaalsContact O-CB 3.26Å; H638-S642 WeakPolarHBondContact O-CB 3.28Å; H638-S642 PolarHBondContact O-N 3.21Å; H638-S642 PolarHBondContact O-OG 3.45Å; E639-S642 PolarHBondContact O-N 3.39Å; S642-W646 WeakPolarHBondContact O-CB 3.36Å; S642-W646 PolarHBondContact O-N 2.92Å
643S85.2Confident85.1Confident56 Ų5694.2 Ų94.239%0.39249%0.494SS..Hα-helixtrans-63.8-46176-178.80000111.6E639 L640 W646 Q647E639-S643 VanDerWaalsContact O-CB 3.24Å; E639-S643 WeakPolarHBondContact O-CB 3.4Å; E639-S643 PolarHBondContact O-N 2.94Å; L640-S643 PolarHBondContact O-N 3.37Å; S643-W646 PolarHBondContact O-N 3.49Å; S643-Q647 WeakPolarHBondContact O-CB 3.27Å; S643-Q647 WeakPolarHBondContact O-CG 3.41Å; S643-Q647 PolarHBondContact O-N 2.87Å
644N83.1Confident84.5Confident82 Ų8293.3 Ų93.344%0.43949%0.487SS..Hα-helixtrans-64.3-45.1176.7-81.3-15.3000112L640 V641 W646 Q647 L648L640-N644 WeakPolarHBondContact O-CB 3.35Å; L640-N644 PolarHBondContact O-N 2.97Å; V641-N644 PolarHBondContact O-N 3.12Å; N644-W646 VanDerWaalsContact C-N 3.29Å; N644-W646 PolarHBondContact O-N 3.49Å; N644-Q647 PolarHBondContact O-N 3.26Å; N644-L648 WeakPolarHBondContact O-CG 3.41Å; N644-L648 PolarHBondContact O-N 3.1Å
645A81.3Confident83.6Confident47 Ų4794.7 Ų94.739%0.38849%0.489SS..Hα-helixtrans-60.3-41.6175.400000111.3V641 L648 H649V641-A645 VanDerWaalsContact O-CB 3.26Å; V641-A645 WeakPolarHBondContact O-CB 3.28Å; V641-A645 PolarHBondContact O-N 2.89Å; A645-L648 PolarHBondContact O-N 3.06Å; A645-H649 PolarHBondContact O-N 3.46Å
646W79Confident82.9Confident164 Ų16499 Ų9962%0.62150%0.497SS*.Hα-helixtrans-66.1-41.8176.9-169.383.9000112.3S642 S643 N644 H649 R650S642-W646 WeakPolarHBondContact O-CB 3.36Å; S642-W646 PolarHBondContact O-N 2.92Å; S643-W646 PolarHBondContact O-N 3.49Å; N644-W646 VanDerWaalsContact C-N 3.29Å; N644-W646 PolarHBondContact O-N 3.49Å; W646-H649 PolarHBondContact O-N 3.49Å; W646-R650 VanDerWaalsContact O-CB 3.3Å; W646-R650 WeakPolarHBondContact O-CB 3.37Å; W646-R650 PolarHBondContact O-N 3.08Å
647Q83.8Confident82.1Confident112 Ų112101.7 Ų101.752%0.52350%0.502SS..Hα-helixtrans-63.1-40.8174.8-76.2-169.838.200112.3S643 N644 R650 K651S643-Q647 WeakPolarHBondContact O-CB 3.27Å; S643-Q647 WeakPolarHBondContact O-CG 3.41Å; S643-Q647 PolarHBondContact O-N 2.87Å; N644-Q647 PolarHBondContact O-N 3.26Å; Q647-R650 PolarHBondContact O-N 3.5Å; Q647-K651 WeakPolarHBondContact O-CB 3.33Å; Q647-K651 PolarHBondContact O-N 3Å
648L81.7Confident81.3Confident124 Ų12497 Ų9765%0.64949%0.487SS*.Hα-helixtrans-63.7-44.1174.8-73.2171.2000111.6N644 A645 R650 K651 A652N644-L648 WeakPolarHBondContact O-CG 3.41Å; N644-L648 PolarHBondContact O-N 3.1Å; A645-L648 PolarHBondContact O-N 3.06Å; L648-R650 VanDerWaalsContact C-N 3.34Å; L648-R650 PolarHBondContact O-N 2.84Å; L648-K651 PolarHBondContact O-N 3.35Å; L648-A652 WeakPolarHBondContact O-CB 3.46Å; L648-A652 PolarHBondContact O-N 3.16Å
649H79.5Confident80.4Confident139 Ų13996.6 Ų96.664%0.64449%0.488SS*.Hα-helixtrans-61.6-43175-100.2-84.3000112.3A645 W646 A652 G653A645-H649 PolarHBondContact O-N 3.46Å; W646-H649 PolarHBondContact O-N 3.49Å; H649-A652 PolarHBondContact O-N 2.86Å; H649-G653 PolarHBondContact O-N 2.98Å
650R80.5Confident79.5Confident135 Ų13594.1 Ų94.151%0.50949%0.49SS..Hα-helixtrans-61.6-49.2176.9-176.9-176.6170.4114.18.7110.9W646 Q647 L648 A652 G653 E654W646-R650 VanDerWaalsContact O-CB 3.3Å; W646-R650 WeakPolarHBondContact O-CB 3.37Å; W646-R650 PolarHBondContact O-N 3.08Å; Q647-R650 PolarHBondContact O-N 3.5Å; L648-R650 VanDerWaalsContact C-N 3.34Å; L648-R650 PolarHBondContact O-N 2.84Å; R650-A652 PolarHBondContact O-N 2.83Å; R650-G653 CarbonylContact O-C 3.56Å; R650-G653 WeakPolarHBondContact O-CA 3.28Å; R650-G653 PolarHBondContact O-N 3.33Å; R650-E654 IonicContact CZ-OE1 3.03Å; R650-E654 IonicContact NE-OE1 3.77Å; R650-E654 PolarHBondContact NE-OE1 3.48Å; R650-E654 IonicContact NH2-OE1 3.4Å; R650-E654 PolarHBondContact NH2-OE1 3.19Å; R650-E654 VanDerWaalsContact NH2-OE1 3.07Å; R650-E654 WeakPolarHBondContact O-CG 3.35Å; R650-E654 PolarHBondContact O-N 2.95Å
651K81Confident78.7Confident120 Ų12097 Ų9752%0.52250%0.498SS..Hα-helixtrans-60.8-44.4178.4-171.1178.2178.6-178.60112Q647 L648 G653 E654 E655Q647-K651 WeakPolarHBondContact O-CB 3.33Å; Q647-K651 PolarHBondContact O-N 3Å; L648-K651 PolarHBondContact O-N 3.35Å; K651-G653 PolarHBondContact O-N 3.37Å; K651-E654 PolarHBondContact O-N 2.89Å; K651-E655 WeakPolarHBondContact O-CG 3.4Å; K651-E655 PolarHBondContact O-N 3.48Å
652A78Confident77.7Confident34 Ų3496.8 Ų96.828%0.28151%0.511SS..Hα-helixtrans-65.3-27.5174.500000112.9L648 H649 R650 R656L648-A652 WeakPolarHBondContact O-CB 3.46Å; L648-A652 PolarHBondContact O-N 3.16Å; H649-A652 PolarHBondContact O-N 2.86Å; R650-A652 PolarHBondContact O-N 2.83Å; A652-R656 WeakPolarHBondContact O-CG 3.41Å; A652-R656 PolarHBondContact O-N 3.32Å; A652-R656 PolarHBondContact O-NE 2.91Å
653G78.9Confident76.3Confident27 Ų2799.8 Ų99.828%0.27852%0.516SS..Hα-helixtrans-69.9-48170.100000112.1H649 R650 K651 E655 R656 M657H649-G653 PolarHBondContact O-N 2.98Å; R650-G653 CarbonylContact O-C 3.56Å; R650-G653 WeakPolarHBondContact O-CA 3.28Å; R650-G653 PolarHBondContact O-N 3.33Å; K651-G653 PolarHBondContact O-N 3.37Å; G653-E655 PolarHBondContact O-N 2.85Å; G653-R656 PolarHBondContact O-N 3.27Å; G653-M657 VanDerWaalsContact O-CG 3.31Å; G653-M657 WeakPolarHBondContact O-CG 3.39Å; G653-M657 PolarHBondContact O-N 3.46Å
654E79.3Confident75Confident97 Ų97105.7 Ų105.745%0.45354%0.538SS..Hα-helixtrans-60.8-42.3177-71.7171.317700111.5R650 K651 M657 A658R650-E654 IonicContact CZ-OE1 3.03Å; R650-E654 IonicContact NE-OE1 3.77Å; R650-E654 PolarHBondContact NE-OE1 3.48Å; R650-E654 IonicContact NH2-OE1 3.4Å; R650-E654 PolarHBondContact NH2-OE1 3.19Å; R650-E654 VanDerWaalsContact NH2-OE1 3.07Å; R650-E654 WeakPolarHBondContact O-CG 3.35Å; R650-E654 PolarHBondContact O-N 2.95Å; K651-E654 PolarHBondContact O-N 2.89Å; E654-M657 PolarHBondContact O-N 2.97Å; E654-A658 WeakPolarHBondContact O-CB 3.47Å; E654-A658 PolarHBondContact O-N 2.99Å
655E74.8Confident73.9Confident95 Ų95106 Ų10644%0.44454%0.544SS..Hα-helixtrans-61.9-43.3174.8-75.9173.6-176.400112.3K651 G653 M657 A658 I659K651-E655 WeakPolarHBondContact O-CG 3.4Å; K651-E655 PolarHBondContact O-N 3.48Å; G653-E655 PolarHBondContact O-N 2.85Å; E655-M657 VanDerWaalsContact C-N 3.32Å; E655-M657 PolarHBondContact O-N 3.31Å; E655-A658 PolarHBondContact O-N 3.42Å; E655-I659 VanDerWaalsContact O-CG1 3.31Å; E655-I659 WeakPolarHBondContact O-CG1 3.3Å; E655-I659 PolarHBondContact O-N 2.99Å; E655-I659 VanDerWaalsContact O-N 3.09Å
656R77.6Confident73.1Confident164 Ų164107.8 Ų107.862%0.61955%0.552SS**Hα-helixtrans-63.9-37.9175.1-80.6-177.8-79.9-141.80.3112.3A652 G653 A660A652-R656 WeakPolarHBondContact O-CG 3.41Å; A652-R656 PolarHBondContact O-N 3.32Å; A652-R656 PolarHBondContact O-NE 2.91Å; G653-R656 PolarHBondContact O-N 3.27Å; R656-A660 PolarHBondContact O-N 3.45Å; R656-A660 VanDerWaalsContact O-N 3.15Å
657M74.9Confident72.5Confident111 Ų111104.1 Ų104.155%0.54755%0.547SS..Hα-helixtrans-67.7-44.1175.5-69.6-69.5-83.600111.2G653 E654 E655 I659 A660 F661G653-M657 VanDerWaalsContact O-CG 3.31Å; G653-M657 WeakPolarHBondContact O-CG 3.39Å; G653-M657 PolarHBondContact O-N 3.46Å; E654-M657 PolarHBondContact O-N 2.97Å; E655-M657 VanDerWaalsContact C-N 3.32Å; E655-M657 PolarHBondContact O-N 3.31Å; M657-I659 VanDerWaalsContact C-N 3.31Å; M657-I659 PolarHBondContact O-N 3.4Å; M657-A660 WeakPolarHBondContact O-CB 3.47Å; M657-A660 PolarHBondContact O-N 2.87Å; M657-F661 HydrophobicContact CE-CE2 3.85Å; M657-F661 HydrophobicContact CE-CZ 4.49Å; M657-F661 WeakPolarHBondContact O-CD2 3.49Å; M657-F661 PolarHBondContact O-N 2.98Å
658A73Confident71.8Confident33 Ų33105.8 Ų105.827%0.27355%0.553SS.*Hα-helixtrans-58-43.5177.500000111.9E654 E655 A660 F661 G662 E663E654-A658 WeakPolarHBondContact O-CB 3.47Å; E654-A658 PolarHBondContact O-N 2.99Å; E655-A658 PolarHBondContact O-N 3.42Å; A658-A660 VanDerWaalsContact C-N 3.33Å; A658-A660 PolarHBondContact O-N 2.91Å; A658-F661 PolarHBondContact O-N 3.5Å; A658-G662 PolarHBondContact O-N 3.04Å; A658-E663 PolarHBondContact O-N 3.39Å
659I69.1Low71.1Confident107 Ų107105.4 Ų105.455%0.54955%0.552SS.*Hα-helixtrans-60.9-42.2174.1-65.4164.8000111.2E655 M657 F661 G662E655-I659 VanDerWaalsContact O-CG1 3.31Å; E655-I659 WeakPolarHBondContact O-CG1 3.3Å; E655-I659 PolarHBondContact O-N 2.99Å; E655-I659 VanDerWaalsContact O-N 3.09Å; M657-I659 VanDerWaalsContact C-N 3.31Å; M657-I659 PolarHBondContact O-N 3.4Å; I659-F661 VanDerWaalsContact C-N 3.3Å; I659-F661 PolarHBondContact O-N 3.41Å; I659-G662 PolarHBondContact O-N 3.08Å
660A70.1Confident70.4Confident81 Ų81102.7 Ų102.767%0.66954%0.541SS*.Hα-helixtrans-67.4-28.3179.400000113.4R656 M657 A658 G662R656-A660 PolarHBondContact O-N 3.45Å; R656-A660 VanDerWaalsContact O-N 3.15Å; M657-A660 WeakPolarHBondContact O-CB 3.47Å; M657-A660 PolarHBondContact O-N 2.87Å; A658-A660 VanDerWaalsContact C-N 3.33Å; A658-A660 PolarHBondContact O-N 2.91Å; A660-G662 VanDerWaalsContact C-N 3.28Å; A660-G662 PolarHBondContact O-N 3.33Å
661F69.7Low69.7Low163 Ų163100.6 Ų100.672%0.71554%0.537SS*.THydrogen-bonded Turntrans-85.16.1176.3-76.1-70.3000114.2M657 A658 I659M657-F661 HydrophobicContact CE-CE2 3.85Å; M657-F661 HydrophobicContact CE-CZ 4.49Å; M657-F661 WeakPolarHBondContact O-CD2 3.49Å; M657-F661 PolarHBondContact O-N 2.98Å; A658-F661 PolarHBondContact O-N 3.5Å; I659-F661 VanDerWaalsContact C-N 3.3Å; I659-F661 PolarHBondContact O-N 3.41Å
662G64.8Low69Low66 Ų6699.5 Ų99.568%0.6853%0.534SS*.THydrogen-bonded Turntrans83.415172.800000114.8A658 I659 A660 E664A658-G662 PolarHBondContact O-N 3.04Å; I659-G662 PolarHBondContact O-N 3.08Å; A660-G662 VanDerWaalsContact C-N 3.28Å; A660-G662 PolarHBondContact O-N 3.33Å; G662-E664 PolarHBondContact O-N 2.97Å
663E57.3Low68.4Low138 Ų138105.8 Ų105.865%0.64555%0.551SS**  trans-76.5116163.8-72.7-172.1156.400108.7A658A658-E663 PolarHBondContact O-N 3.39Å
664E58.5Low67.6Low181 Ų181111.4 Ų111.485%0.84657%0.57SS**  trans-55.5140175-88.6-175.1159.600110.6G662G662-E664 PolarHBondContact O-N 2.97Å
665P59Low66.7Low88 Ų88112.9 Ų112.957%0.57158%0.58SS**  trans-55.9131.9-175.921.5-31.9000110.2T667P665-T667 PolarHBondContact O-N 3.42Å
666P63.9Low65.9Low84 Ų84112.8 Ų112.855%0.54559%0.59SS.*  trans-59.9111.6-178.523.7-32.2000108.5Q671P666-Q671 HydrophobicContact CB-CG 4.46Å
667T66.9Low64.8Low87 Ų87112.5 Ų112.553%0.53460%0.597SS.*  trans-55146.1173.348.60000109.3P665 L669 N670 Q671P665-T667 PolarHBondContact O-N 3.42Å; T667-L669 PolarHBondContact O-N 3.04Å; T667-N670 WeakPolarHBondContact O-CA 3.48Å; T667-N670 WeakPolarHBondContact O-CB 2.84Å; T667-N670 PolarHBondContact O-N 3.2Å; T667-Q671 PolarHBondContact O-N 3.11Å
668F69.6Low63.5Low147 Ų147112 Ų11265%0.64560%0.601SS**Hα-helixtrans-46.1-37.4179.4177.2-97.5000112.8N670 Q671 Q672F668-N670 PolarHBondContact O-N 2.97Å; F668-Q671 PolarHBondContact O-N 3.27Å; F668-Q672 WeakPolarHBondContact O-CB 3.36Å; F668-Q672 PolarHBondContact O-N 2.95Å
669L66Low61.9Low117 Ų117119.4 Ų119.461%0.61363%0.627SS**Hα-helixtrans-60.7-39.4174.9-90.1158.7000114T667 R673T667-L669 PolarHBondContact O-N 3.04Å; L669-R673 WeakPolarHBondContact O-CG 3.16Å; L669-R673 PolarHBondContact O-N 3.45Å
670N66.1Low60.8Low81 Ų81120.1 Ų120.143%0.43364%0.638SS.*Hα-helixtrans-71.2-38.3176.9-84.6-13.4000111.8T667 F668 R673 Q674T667-N670 WeakPolarHBondContact O-CA 3.48Å; T667-N670 WeakPolarHBondContact O-CB 2.84Å; T667-N670 PolarHBondContact O-N 3.2Å; F668-N670 PolarHBondContact O-N 2.97Å; N670-R673 PolarHBondContact O-N 3.47Å; N670-Q674 PolarHBondContact O-N 3.28Å; N670-Q674 VanDerWaalsContact O-N 3.09Å
671Q65Low59.6Low91 Ų91125.9 Ų125.943%0.42565%0.648SS.*Hα-helixtrans-62.6-45.3171.4-89.7-177.4-10.200111.7P666 T667 F668 R673 Q674 L675P666-Q671 HydrophobicContact CB-CG 4.46Å; T667-Q671 PolarHBondContact O-N 3.11Å; F668-Q671 PolarHBondContact O-N 3.27Å; Q671-R673 VanDerWaalsContact C-N 3.3Å; Q671-R673 PolarHBondContact O-N 3.32Å; Q671-Q674 PolarHBondContact O-N 3.1Å; Q671-L675 PolarHBondContact O-N 3.17Å; Q671-L675 VanDerWaalsContact O-N 3.08Å
672Q65.5Low58.4Low97 Ų97122.9 Ų122.945%0.45365%0.654SS.*Hα-helixtrans-59-42.1177.5-162.390.26.800111.2F668 L675 S676F668-Q672 WeakPolarHBondContact O-CB 3.36Å; F668-Q672 PolarHBondContact O-N 2.95Å; Q672-L675 PolarHBondContact O-N 2.91Å; Q672-S676 PolarHBondContact O-N 2.95Å; Q672-S676 VanDerWaalsContact O-N 3.1Å; Q672-S676 PolarHBondContact O-OG 3.36Å
673R65.6Low57.5Low167 Ų167124 Ų12463%0.6366%0.657SS**Hα-helixtrans-64.5-39.9177.1-77178.4-177.1-166.91.9112.7L669 N670 Q671 S676 M677L669-R673 WeakPolarHBondContact O-CG 3.16Å; L669-R673 PolarHBondContact O-N 3.45Å; N670-R673 PolarHBondContact O-N 3.47Å; Q671-R673 VanDerWaalsContact C-N 3.3Å; Q671-R673 PolarHBondContact O-N 3.32Å; R673-S676 PolarHBondContact O-N 2.95Å; R673-M677 VanDerWaalsContact O-CG 3.24Å; R673-M677 WeakPolarHBondContact O-CG 3.5Å; R673-M677 PolarHBondContact O-N 3.44Å; R673-M677 VanDerWaalsContact O-N 3.12Å
674Q63.9Low56.7Low145 Ų145120.4 Ų120.468%0.67866%0.656SS**Hα-helixtrans-66.6-40.5177.4-73.8-1722.900112.1N670 Q671 S676 M677 T678N670-Q674 PolarHBondContact O-N 3.28Å; N670-Q674 VanDerWaalsContact O-N 3.09Å; Q671-Q674 PolarHBondContact O-N 3.1Å; Q674-S676 VanDerWaalsContact C-N 3.33Å; Q674-S676 PolarHBondContact O-N 3.36Å; Q674-M677 PolarHBondContact O-N 3.37Å; Q674-M677 VanDerWaalsContact O-N 3.16Å; Q674-T678 PolarHBondContact O-N 2.84Å; Q674-T678 VanDerWaalsContact O-N 3.13Å
675L59.8Low55.9Low127 Ų127118.4 Ų118.467%0.66565%0.651SS**Hα-helixtrans-64.4-35.6175.9-68.2174.5000112.6Q671 Q672 M677 T678Q671-L675 PolarHBondContact O-N 3.17Å; Q671-L675 VanDerWaalsContact O-N 3.08Å; Q672-L675 PolarHBondContact O-N 2.91Å; L675-M677 VanDerWaalsContact C-N 3.33Å; L675-T678 PolarHBondContact O-OG1 3.03Å
676S57.7Low55.1Low93 Ų93120.7 Ų120.765%0.6566%0.664SS**Hα-helixtrans-73.5-22.4174.6-65.20000113.8Q672 R673 Q674Q672-S676 PolarHBondContact O-N 2.95Å; Q672-S676 VanDerWaalsContact O-N 3.1Å; Q672-S676 PolarHBondContact O-OG 3.36Å; R673-S676 PolarHBondContact O-N 2.95Å; Q674-S676 VanDerWaalsContact C-N 3.33Å; Q674-S676 PolarHBondContact O-N 3.36Å
677M54.8Low54Low158 Ų158126.3 Ų126.378%0.77868%0.676SS**Hα-helixtrans-91.4-13.1179.9-67.9-68157.600113.3R673 Q674 L675 K679R673-M677 VanDerWaalsContact O-CG 3.24Å; R673-M677 WeakPolarHBondContact O-CG 3.5Å; R673-M677 PolarHBondContact O-N 3.44Å; R673-M677 VanDerWaalsContact O-N 3.12Å; Q674-M677 PolarHBondContact O-N 3.37Å; Q674-M677 VanDerWaalsContact O-N 3.16Å; L675-M677 VanDerWaalsContact C-N 3.33Å; M677-K679 PolarHBondContact O-N 2.98Å
678T46.4Very low53Low100 Ų100125.7 Ų125.761%0.61368%0.679SS**  trans-77.174167.748.40000110.2Q674 L675Q674-T678 PolarHBondContact O-N 2.84Å; Q674-T678 VanDerWaalsContact O-N 3.13Å; L675-T678 PolarHBondContact O-OG1 3.03Å
679K40.5Very low51.6Low189 Ų189125.1 Ų125.182%0.82268%0.683SS**  trans-56.2125.1157.7-146.4174.5-171.4177.40106M677 K681M677-K679 PolarHBondContact O-N 2.98Å; K679-K681 PolarHBondContact O-N 3.1Å
680P45.5Very low50.7Low122 Ų122126.9 Ų126.979%0.79269%0.688SS**  trans-60.2106.5-176.622.5-30.1000107.6A682P680-A682 VanDerWaalsContact C-N 3.35Å; P680-A682 PolarHBondContact O-N 3.41Å
681K45.6Very low49.6Very low202 Ų202129.7 Ų129.788%0.87870%0.703SS**  trans-61.3109.6162.4-94.9-179.3174.1177.10103.9K679 A683K679-K681 PolarHBondContact O-N 3.1Å; K681-A683 PolarHBondContact O-N 3.4Å
682A44.6Very low48.6Very low100 Ų100135.4 Ų135.483%0.82672%0.722SS**  trans-53.587.5163.900000106.9P680 G684P680-A682 VanDerWaalsContact C-N 3.35Å; P680-A682 PolarHBondContact O-N 3.41Å; A682-G684 VanDerWaalsContact C-N 3.28Å; A682-G684 PolarHBondContact O-N 3.44Å
683A45.3Very low47.5Very low90 Ų90135.6 Ų135.674%0.74473%0.734SS**  trans-66103.9163.600000103.1K681 D685K681-A683 PolarHBondContact O-N 3.4Å; A683-D685 PolarHBondContact O-N 3.34Å
684G40.9Very low46.2Very low62 Ų62134.7 Ų134.764%0.63974%0.741SS**  trans-49.7125-176.100000108.9A682 T686A682-G684 VanDerWaalsContact C-N 3.28Å; A682-G684 PolarHBondContact O-N 3.44Å; G684-T686 PolarHBondContact O-N 3.02Å
685D41.3Very low45.4Very low139 Ų139132.8 Ų132.874%0.74374%0.74SS**  trans-54.895.5166.2-68.8-45.4000107.6A683 Y687A683-D685 PolarHBondContact O-N 3.34Å; D685-Y687 HydrophobicContact CB-CD2 3.7Å; D685-Y687 HydrophobicContact CB-CE2 4.1Å; D685-Y687 PolarHBondContact O-N 3.47Å
686T43.1Very low44.5Very low136 Ų136135.8 Ų135.883%0.83475%0.748SS**  trans-72.270.5157.350.20000106.3G684 A688G684-T686 PolarHBondContact O-N 3.02Å; T686-A688 PolarHBondContact O-N 2.87Å
687Y40.7Very low44.1Very low202 Ų202141.5 Ų141.579%0.79276%0.757SS**  trans-6491.5152.7-87.8-78.8000105.2D685 N689D685-Y687 HydrophobicContact CB-CD2 3.7Å; D685-Y687 HydrophobicContact CB-CE2 4.1Å; D685-Y687 PolarHBondContact O-N 3.47Å; Y687-N689 PolarHBondContact O-N 3.36Å
688A45.1Very low43.7Very low74 Ų74136.9 Ų136.961%0.61275%0.749SS**  trans-55.898.4161.700000105.9T686 H690T686-A688 PolarHBondContact O-N 2.87Å; A688-H690 PolarHBondContact O-N 3.39Å
689N40.2Very low44.1Very low135 Ų135138.3 Ų138.372%0.72276%0.758SS**  trans-66.384.7176.9-160.68.4000106.4Y687 N691Y687-N689 PolarHBondContact O-N 3.36Å; N689-N691 PolarHBondContact O-N 3.27Å
690H46.7Very low45Very low154 Ų154134.7 Ų134.771%0.71375%0.754SS**  trans-65.388.2167.1-82.3-65.7000106.5A688 Y692A688-H690 PolarHBondContact O-N 3.39Å; H690-Y692 HydrophobicContact CB-CE2 4.38Å; H690-Y692 WeakPolarHBondContact O-CD2 3.29Å; H690-Y692 PolarHBondContact O-N 3.25Å
691N42.5Very low45.4Very low141 Ų141134.3 Ų134.375%0.75475%0.752SS**  trans-56.894.4162.8-94.3-25.5000107.1N689 S693N689-N691 PolarHBondContact O-N 3.27Å; N691-S693 PolarHBondContact O-N 3.48Å
692Y44.2Very low46.1Very low210 Ų210130.9 Ų130.982%0.82475%0.75SS**  trans-63.689.2159.7-79.3-89.2000106.9H690 L694H690-Y692 HydrophobicContact CB-CE2 4.38Å; H690-Y692 WeakPolarHBondContact O-CD2 3.29Å; H690-Y692 PolarHBondContact O-N 3.25Å; Y692-L694 PolarHBondContact O-N 3.44Å
693S42.8Very low46.3Very low102 Ų102136.2 Ų136.271%0.71377%0.772SS**  trans-69.292.4164.6-163.20000106.6N691 T695N691-S693 PolarHBondContact O-N 3.48Å; S693-T695 PolarHBondContact O-N 3.16Å
694L39.4Very low46.4Very low148 Ų148138.5 Ų138.578%0.77577%0.774SS**  trans-63.386.7166.6-99.1144.5000107.7Y692 F696Y692-L694 PolarHBondContact O-N 3.44Å; L694-F696 VanDerWaalsContact C-N 3.3Å; L694-F696 PolarHBondContact O-N 3.19Å
695T45.8Very low46.7Very low105 Ų105142.5 Ų142.564%0.64478%0.781SS**  trans-66.793.4165.639.70000108.2S693 Y697S693-T695 PolarHBondContact O-N 3.16Å; T695-Y697 PolarHBondContact O-N 3.45Å
696F42Very low47Very low189 Ų189142.7 Ų142.783%0.82978%0.783SS**  trans-66.898.3167.9-125.4-96.3000107.9L694 G698L694-F696 VanDerWaalsContact C-N 3.3Å; L694-F696 PolarHBondContact O-N 3.19Å; F696-G698 PolarHBondContact O-N 3.32Å
697Y48.2Very low47.2Very low214 Ų214143.1 Ų143.184%0.83978%0.78SS**  trans-7277.3164.7-83.2-89.4000108.5T695 T699T695-Y697 PolarHBondContact O-N 3.45Å; Y697-T699 PolarHBondContact O-N 2.97Å
698G45.9Very low47.6Very low61 Ų61139.4 Ų139.463%0.62978%0.779SS**  trans-79100.3165.800000109F696F696-G698 PolarHBondContact O-N 3.32Å
699T56.3Low47.8Very low130 Ų130143.8 Ų143.880%0.79879%0.79SS**PPolyproline II helixtrans-60.9128.6165.839.90000109.3Y697Y697-T699 PolarHBondContact O-N 2.97Å
700P58.9Low48.3Very low112 Ų112144.4 Ų144.473%0.72780%0.795SS**PPolyproline II helixtrans-68.9149.3-179.528.6-32.7000110.8
701P53.7Low48.5Very low115 Ų115143.7 Ų143.775%0.74780%0.801SS**PPolyproline II helixtrans-68.4149-179.229.3-32.9000110.9
702P60.1Low48.9Very low129 Ų129143.9 Ų143.984%0.83881%0.805SS**PPolyproline II helixtrans-68.1134.7177.829.2-31.4000109.9
703T49.9Very low49.4Very low212 Ų212137.9 Ų137.9100%1.30180%0.804SS**  trans-58.30170.744.80000113.2

Retrieved 703 of 703 residues in 671.6 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).