A0A3Q0KJA8_SCHMA Loading...

Hepatocyte growth factor-regulated tyrosine kinase substrate AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KJA8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 738 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M59.4Low85.1Confident188 Ų188105.8 Ų105.893%0.92649%0.489SS*.  0-66.40-71.8-55.2-168.800111F3 F4M1-F3 VanDerWaalsContact C-N 3.33Å; M1-F3 PolarHBondContact O-N 3.01Å; M1-F3 VanDerWaalsContact O-N 3.15Å; M1-F4 PolarHBondContact O-N 3.21Å
2D74.9Confident85.8Confident103 Ų10399.3 Ų99.355%0.55146%0.46SS*.Hα-helixtrans-67.9-25.9-155.9-40.3-45.9000115.2F4 K5 R6D2-F4 VanDerWaalsContact C-N 3.33Å; D2-F4 PolarHBondContact O-N 3.27Å; D2-K5 WeakPolarHBondContact O-CB 3.32Å; D2-K5 PolarHBondContact O-N 3.03Å; D2-R6 WeakPolarHBondContact O-CG 3.43Å; D2-R6 PolarHBondContact O-N 3.23Å
3F80.6Confident86.5Confident161 Ų16191.9 Ų91.971%0.70643%0.426SS*.Hα-helixtrans-59.1-41.6172.5-173.8-92.8000112.6M1 R6 S7M1-F3 VanDerWaalsContact C-N 3.33Å; M1-F3 PolarHBondContact O-N 3.01Å; M1-F3 VanDerWaalsContact O-N 3.15Å; F3-R6 PolarHBondContact O-N 3.32Å; F3-S7 WeakPolarHBondContact O-CB 3.14Å; F3-S7 PolarHBondContact O-N 3.3Å
4F84.5Confident87Confident165 Ų16592.8 Ų92.872%0.72443%0.431SS*.Hα-helixtrans-69.8-35.2176.8-69.2-73.5000112.2M1 D2 K8M1-F4 PolarHBondContact O-N 3.21Å; D2-F4 VanDerWaalsContact C-N 3.33Å; D2-F4 PolarHBondContact O-N 3.27Å; F4-K8 WeakPolarHBondContact O-CB 3.26Å; F4-K8 PolarHBondContact O-N 2.89Å
5K84.5Confident87.5Confident69 Ų6993.2 Ų93.230%0.343%0.431SS..Hα-helixtrans-62.2-50.2173.1-70.7175.6169.3-94.90110.9D2 K8 F9 E40 I41D2-K5 WeakPolarHBondContact O-CB 3.32Å; D2-K5 PolarHBondContact O-N 3.03Å; K5-K8 PolarHBondContact O-N 3.13Å; K5-F9 WeakPolarHBondContact O-CB 3.41Å; K5-F9 PolarHBondContact O-N 2.9Å; K5-E40 VanDerWaalsContact NZ-CD 3.26Å; K5-E40 IonicContact NZ-OE2 3.62Å; K5-E40 PolarHBondContact NZ-OE2 2.7Å; K5-I41 HydrophobicContact CB-CD1 4.17Å
6R90.1Very high87.9Confident115 Ų11587.4 Ų87.443%0.43440%0.404SS..Hα-helixtrans-58.5-52.6176.8-71.1179.6-173.9-172.92.4111.3D2 F3 K8 F9 D10 I41 Y45D2-R6 WeakPolarHBondContact O-CG 3.43Å; D2-R6 PolarHBondContact O-N 3.23Å; F3-R6 PolarHBondContact O-N 3.32Å; R6-K8 VanDerWaalsContact C-N 3.27Å; R6-K8 PolarHBondContact O-N 2.96Å; R6-F9 CarbonylContact O-C 3.31Å; R6-F9 WeakPolarHBondContact O-CA 3.5Å; R6-F9 WeakPolarHBondContact O-CB 3.41Å; R6-F9 PolarHBondContact O-N 3.16Å; R6-D10 VanDerWaalsContact C-OD2 3.27Å; R6-D10 PolarHBondContact O-N 3.3Å; R6-I41 HydrophobicContact CG-CD1 4.34Å; R6-Y45 HydrophobicContact CB-CE1 3.99Å; R6-Y45 HydrophobicContact CG-CD1 4.25Å; R6-Y45 HydrophobicContact CG-CE1 3.77Å; R6-Y45 HydrophobicContact CG-CE2 4.28Å
7S89.7Confident88.3Confident46 Ų4682.2 Ų82.232%0.32238%0.38SS..Hα-helixtrans-59.5-33178.6-1780000113.7F3 K11F3-S7 WeakPolarHBondContact O-CB 3.14Å; F3-S7 PolarHBondContact O-N 3.3Å; S7-K11 WeakPolarHBondContact O-CG 3.24Å; S7-K11 PolarHBondContact O-N 3Å
8K91Very high88.5Confident138 Ų13879.7 Ų79.760%0.637%0.373SS*.Hα-helixtrans-67.7-44.4170.9-174-173.4174.7-1700111.6F4 K5 R6 L12F4-K8 WeakPolarHBondContact O-CB 3.26Å; F4-K8 PolarHBondContact O-N 2.89Å; K5-K8 PolarHBondContact O-N 3.13Å; R6-K8 VanDerWaalsContact C-N 3.27Å; R6-K8 PolarHBondContact O-N 2.96Å; K8-L12 WeakPolarHBondContact O-CB 3.27Å; K8-L12 PolarHBondContact O-N 2.65Å
9F93.8Very high88.7Confident0 Ų080.8 Ų80.80%038%0.378CS..Hα-helixtrans-66.1-42179179.9-92.3000112.6K5 R6 K11 L12 I13 V32 N35 V36 I41 Y45 A46K5-F9 WeakPolarHBondContact O-CB 3.41Å; K5-F9 PolarHBondContact O-N 2.9Å; R6-F9 CarbonylContact O-C 3.31Å; R6-F9 WeakPolarHBondContact O-CA 3.5Å; R6-F9 WeakPolarHBondContact O-CB 3.41Å; R6-F9 PolarHBondContact O-N 3.16Å; F9-K11 PolarHBondContact O-N 3.29Å; F9-L12 CarbonylContact O-C 3.57Å; F9-L12 WeakPolarHBondContact O-CA 3.42Å; F9-L12 WeakPolarHBondContact O-CB 3.23Å; F9-L12 PolarHBondContact O-N 3.36Å; F9-I13 HydrophobicContact CD1-CG1 3.99Å; F9-I13 HydrophobicContact CE1-CD1 3.95Å; F9-I13 HydrophobicContact CE1-CG1 3.5Å; F9-I13 HydrophobicContact CZ-CD1 3.82Å; F9-I13 HydrophobicContact CZ-CG1 3.84Å; F9-I13 PolarHBondContact O-N 2.88Å; F9-V32 HydrophobicContact CE2-CG1 3.86Å; F9-V32 HydrophobicContact CZ-CG1 3.93Å; F9-N35 HydrophobicContact CD2-CB 3.86Å; F9-N35 HydrophobicContact CE2-CB 4.15Å; F9-V36 HydrophobicContact CE2-CG2 4.27Å; F9-V36 HydrophobicContact CZ-CG2 4.49Å; F9-I41 HydrophobicContact CB-CD1 3.81Å; F9-I41 HydrophobicContact CB-CG1 3.87Å; F9-I41 HydrophobicContact CD1-CG2 4.21Å; F9-I41 HydrophobicContact CD2-CB 4.22Å; F9-I41 HydrophobicContact CD2-CG1 3.7Å; F9-I41 HydrophobicContact CD2-CG2 4.2Å; F9-I41 HydrophobicContact CE1-CG2 4.21Å; F9-I41 HydrophobicContact CE2-CB 4.41Å; F9-I41 HydrophobicContact CE2-CG1 4.38Å; F9-I41 HydrophobicContact CE2-CG2 4.17Å; F9-I41 HydrophobicContact CG-CB 4.49Å; F9-I41 HydrophobicContact CG-CD1 4.13Å; F9-I41 HydrophobicContact CG-CG1 3.79Å; F9-I41 HydrophobicContact CG-CG2 4.2Å; F9-I41 HydrophobicContact CZ-CG2 4.18Å; F9-Y45 HydrophobicContact CD1-CD1 4.25Å; F9-Y45 HydrophobicContact CD1-CE1 4.15Å; F9-Y45 HydrophobicContact CE1-CD1 4.48Å; F9-A46 HydrophobicContact CE1-CB 4.04Å; F9-A46 HydrophobicContact CE2-CB 4.48Å; F9-A46 HydrophobicContact CZ-CB 3.54Å
10D93.7Very high88.7Confident40 Ų4084.1 Ų84.121%0.21440%0.395CS..Hα-helixtrans-60.6-46.1179.4-61.3-37.9000110.5R6 L12 I13 E14 Y45 C49R6-D10 VanDerWaalsContact C-OD2 3.27Å; R6-D10 PolarHBondContact O-N 3.3Å; D10-L12 PolarHBondContact O-N 2.96Å; D10-I13 WeakPolarHBondContact O-CB 3.33Å; D10-I13 PolarHBondContact O-N 2.75Å; D10-E14 WeakPolarHBondContact O-CG 3.35Å; D10-E14 PolarHBondContact O-N 2.74Å; D10-Y45 VanDerWaalsContact CG-OH 3.29Å; D10-Y45 VanDerWaalsContact OD1-CE1 3.25Å; D10-Y45 WeakPolarHBondContact OD1-CE1 3.37Å; D10-Y45 PolarHBondContact OD1-OH 3.03Å; D10-Y45 PolarHBondContact OD2-OH 3.38Å; D10-C49 PolarHBondContact OD1-SG 3.43Å
11K93.6Very high88.6Confident139 Ų13982.1 Ų82.160%0.60439%0.387SS*.Hα-helixtrans-60.4-29.1172.1-73.1-179.5177.1-169.50114.1S7 F9 K15S7-K11 WeakPolarHBondContact O-CG 3.24Å; S7-K11 PolarHBondContact O-N 3Å; F9-K11 PolarHBondContact O-N 3.29Å; K11-K15 PolarHBondContact O-N 3.42Å
12L93.5Very high90Very high27 Ų2780.3 Ų80.314%0.14138%0.38CS..Hα-helixtrans-80.9-36.4-178.7-159.8155.4000110.6K8 F9 D10 K15 A16 S28 A31 V32K8-L12 WeakPolarHBondContact O-CB 3.27Å; K8-L12 PolarHBondContact O-N 2.65Å; F9-L12 CarbonylContact O-C 3.57Å; F9-L12 WeakPolarHBondContact O-CA 3.42Å; F9-L12 WeakPolarHBondContact O-CB 3.23Å; F9-L12 PolarHBondContact O-N 3.36Å; D10-L12 PolarHBondContact O-N 2.96Å; L12-K15 PolarHBondContact O-N 3.3Å; L12-A16 WeakPolarHBondContact O-CB 3.16Å; L12-A16 PolarHBondContact O-N 2.88Å; L12-S28 VanDerWaalsContact CD2-O 3.28Å; L12-S28 WeakPolarHBondContact CD2-O 3.3Å; L12-A31 HydrophobicContact CD1-CB 3.98Å; L12-A31 HydrophobicContact CD2-CB 4.05Å; L12-V32 HydrophobicContact CD2-CB 4.29Å; L12-V32 HydrophobicContact CD2-CG2 3.37Å
13I95Very high90.6Very high4 Ų482.8 Ų82.82%0.02139%0.388CS..Hα-helixtrans-61.5-44.4164.6-67.1-72.5000110.6F9 D10 K15 A16 T17 V32 L50 R53 V68F9-I13 HydrophobicContact CD1-CG1 3.99Å; F9-I13 HydrophobicContact CE1-CD1 3.95Å; F9-I13 HydrophobicContact CE1-CG1 3.5Å; F9-I13 HydrophobicContact CZ-CD1 3.82Å; F9-I13 HydrophobicContact CZ-CG1 3.84Å; F9-I13 PolarHBondContact O-N 2.88Å; D10-I13 WeakPolarHBondContact O-CB 3.33Å; D10-I13 PolarHBondContact O-N 2.75Å; I13-K15 PolarHBondContact O-N 2.75Å; I13-A16 PolarHBondContact O-N 3.41Å; I13-T17 WeakPolarHBondContact O-CB 3.38Å; I13-T17 PolarHBondContact O-N 2.81Å; I13-T17 PolarHBondContact O-OG1 2.92Å; I13-V32 HydrophobicContact CD1-CB 4.48Å; I13-V32 HydrophobicContact CD1-CG1 3.71Å; I13-V32 HydrophobicContact CD1-CG2 3.78Å; I13-V32 HydrophobicContact CG1-CG2 4.49Å; I13-L50 HydrophobicContact CD1-CD2 4.1Å; I13-L50 HydrophobicContact CD1-CG 4.32Å; I13-L50 HydrophobicContact CG2-CD2 4.41Å; I13-R53 HydrophobicContact CG2-CG 3.9Å; I13-V68 HydrophobicContact CD1-CG1 4.29Å
14E93.6Very high91Very high104 Ų10477.6 Ų77.649%0.48637%0.371SS..Hα-helixtrans-61.2-40.8176.4-73.7168.2173.200112.3D10 T17 S18D10-E14 WeakPolarHBondContact O-CG 3.35Å; D10-E14 PolarHBondContact O-N 2.74Å; E14-T17 CarbonylContact O-C 3.6Å; E14-S18 WeakPolarHBondContact O-CA 3.47Å; E14-S18 PolarHBondContact O-N 3.34Å; E14-S18 VanDerWaalsContact O-N 3.07Å
15K93.9Very high91.4Very high99 Ų9970.9 Ų70.943%0.4334%0.343SS..Hα-helixtrans-61.5-54.1171.4-176.1177-179.7-82.20111K11 L12 I13 T17 S18 L21 D25 S28K11-K15 PolarHBondContact O-N 3.42Å; L12-K15 PolarHBondContact O-N 3.3Å; I13-K15 PolarHBondContact O-N 2.75Å; K15-T17 PolarHBondContact O-N 3.08Å; K15-S18 WeakPolarHBondContact O-CB 3.36Å; K15-S18 PolarHBondContact O-N 3.08Å; K15-L21 VanDerWaalsContact O-CD1 3.31Å; K15-L21 WeakPolarHBondContact O-CD1 3.2Å; K15-D25 WeakPolarHBondContact CG-OD2 3.48Å; K15-D25 IonicContact NZ-OD1 2.75Å; K15-D25 IonicContact NZ-OD2 2.72Å; K15-D25 PolarHBondContact NZ-OD2 3.41Å; K15-S28 VanDerWaalsContact CD-OG 3.25Å; K15-S28 WeakPolarHBondContact CD-OG 3.29Å; K15-S28 WeakPolarHBondContact CG-OG 3.31Å; K15-S28 PolarHBondContact NZ-OG 2.8Å
16A94.2Very high91.8Very high0 Ų073 Ų730%036%0.356CS..Hα-helixtrans-63.3-23.2-177.100000114.3L12 I13 I29 V32 V68L12-A16 WeakPolarHBondContact O-CB 3.16Å; L12-A16 PolarHBondContact O-N 2.88Å; I13-A16 PolarHBondContact O-N 3.41Å; A16-I29 HydrophobicContact CB-CG1 4.4Å; A16-V32 HydrophobicContact CB-CG2 4.43Å; A16-V68 HydrophobicContact CB-CG2 3.98Å
17T94.4Very high91.9Very high0 Ų074.6 Ų74.60%037%0.369CS..THydrogen-bonded Turntrans-119.827.8-178.763.70000112.3I13 E14 K15 L50 R53 V68I13-T17 WeakPolarHBondContact O-CB 3.38Å; I13-T17 PolarHBondContact O-N 2.81Å; I13-T17 PolarHBondContact O-OG1 2.92Å; E14-T17 CarbonylContact O-C 3.6Å; K15-T17 PolarHBondContact O-N 3.08Å; T17-L50 HydrophobicContact CG2-CD2 4.45Å; T17-R53 PolarHBondContact O-NH2 3.45Å; T17-R53 PolarHBondContact OG1-NE 3.37Å; T17-R53 PolarHBondContact OG1-NH2 2.95Å; T17-V68 HydrophobicContact CG2-CG2 3.71Å
18S92.8Very high92.1Very high37 Ų3772.7 Ų72.726%0.25936%0.356SS..  trans-67.2138.7178.4176.10000111.3E14 K15 M20 L21E14-S18 WeakPolarHBondContact O-CA 3.47Å; E14-S18 PolarHBondContact O-N 3.34Å; E14-S18 VanDerWaalsContact O-N 3.07Å; K15-S18 WeakPolarHBondContact O-CB 3.36Å; K15-S18 PolarHBondContact O-N 3.08Å; S18-M20 PolarHBondContact O-N 3.49Å; S18-M20 PolarHBondContact OG-N 3.32Å; S18-L21 WeakPolarHBondContact O-CB 3.32Å; S18-L21 PolarHBondContact O-N 3.14Å; S18-L21 VanDerWaalsContact O-N 3.15Å
19E91.4Very high92.2Very high101 Ų10166.6 Ų66.647%0.47233%0.329SS..THydrogen-bonded Turntrans-67-15.6178.251177.3-164.400114.4L21 N58 V61E19-L21 VanDerWaalsContact C-N 3.3Å; E19-N58 WeakPolarHBondContact CB-ND2 3.39Å; E19-N58 PolarHBondContact OE2-ND2 3.23Å; E19-V61 HydrophobicContact CB-CG2 3.8Å
20M88.5Confident92.1Very high146 Ų14670.8 Ų70.872%0.71935%0.351SS*.THydrogen-bonded Turntrans-84.7-0.8175.7-59.3-68.999.200113S18 I22S18-M20 PolarHBondContact O-N 3.49Å; S18-M20 PolarHBondContact OG-N 3.32Å; M20-I22 PolarHBondContact O-N 2.87Å
21L88.4Confident92Very high42 Ų4270.3 Ų70.322%0.2235%0.352CS..  trans-84.8105.7179.3-75.9178.7000112.1K15 S18 E19 E23 D25 R64K15-L21 VanDerWaalsContact O-CD1 3.31Å; K15-L21 WeakPolarHBondContact O-CD1 3.2Å; S18-L21 WeakPolarHBondContact O-CB 3.32Å; S18-L21 PolarHBondContact O-N 3.14Å; S18-L21 VanDerWaalsContact O-N 3.15Å; E19-L21 VanDerWaalsContact C-N 3.3Å; L21-E23 WeakPolarHBondContact CB-O 3.3Å; L21-D25 HydrophobicContact CD1-CB 3.86Å; L21-D25 HydrophobicContact CD2-CB 4.26Å; L21-R64 HydrophobicContact CB-CG 4.42Å
22I87.4Confident92Very high151 Ų15163.7 Ų63.777%0.77432%0.324SS*.SBendtrans-64.4-47.7169-57175.5000109.8M20 R64M20-I22 PolarHBondContact O-N 2.87Å; I22-R64 PolarHBondContact O-NH2 3.18Å
23E88.4Confident91.9Very high155 Ų15562.5 Ų62.572%0.72432%0.318SS*.SBendtrans-111.3167-179.8-62.3-178.3174.600111.5L21L21-E23 WeakPolarHBondContact CB-O 3.3Å
24S89.3Confident91.6Very high51 Ų5164.8 Ų64.836%0.35733%0.33SS..  trans-77.2127.4-179.945.40000112.2I26S24-I26 VanDerWaalsContact C-N 3.33Å; S24-I26 PolarHBondContact O-N 3.05Å
25D91.9Very high91.4Very high25 Ų2561.1 Ų61.113%0.13431%0.314CS..  trans-76.582.3177.5-179.8-8.4000110.7K15 L21 E27 S28 I29K15-D25 WeakPolarHBondContact CG-OD2 3.48Å; K15-D25 IonicContact NZ-OD1 2.75Å; K15-D25 IonicContact NZ-OD2 2.72Å; K15-D25 PolarHBondContact NZ-OD2 3.41Å; L21-D25 HydrophobicContact CD1-CB 3.86Å; L21-D25 HydrophobicContact CD2-CB 4.26Å; D25-E27 VanDerWaalsContact C-N 3.25Å; D25-E27 PolarHBondContact O-N 3.49Å; D25-E27 PolarHBondContact OD1-N 2.89Å; D25-S28 VanDerWaalsContact CG-CB 3.47Å; D25-S28 PolarHBondContact O-N 3Å; D25-S28 PolarHBondContact OD1-N 2.89Å; D25-S28 PolarHBondContact OD1-OG 3.37Å; D25-S28 VanDerWaalsContact OD2-CB 3.31Å; D25-S28 WeakPolarHBondContact OD2-CB 3.46Å; D25-S28 PolarHBondContact OD2-OG 3.07Å; D25-I29 WeakPolarHBondContact O-CB 3.43Å; D25-I29 VanDerWaalsContact O-CG1 3.22Å; D25-I29 WeakPolarHBondContact O-CG1 3.29Å; D25-I29 PolarHBondContact O-N 2.91Å
26I92.6Very high91.2Very high112 Ų11256.7 Ų56.757%0.57430%0.295SS*.Hα-helixtrans-56.8-37.2-177.1-63.4171.5000111.8S24 I29 I30S24-I26 VanDerWaalsContact C-N 3.33Å; S24-I26 PolarHBondContact O-N 3.05Å; I26-I29 PolarHBondContact O-N 2.59Å; I26-I30 HydrophobicContact CG2-CD1 3.73Å; I26-I30 HydrophobicContact CG2-CG1 4.26Å; I26-I30 WeakPolarHBondContact O-CB 3.33Å; I26-I30 VanDerWaalsContact O-CG1 3.29Å; I26-I30 WeakPolarHBondContact O-CG1 3.45Å; I26-I30 PolarHBondContact O-N 2.99Å
27E92.9Very high90.8Very high150 Ų15057.5 Ų57.570%0.70130%0.298SS*.Hα-helixtrans-63.5-48.8178.7-172.3-167.9-160.100111D25 A31D25-E27 VanDerWaalsContact C-N 3.25Å; D25-E27 PolarHBondContact O-N 3.49Å; D25-E27 PolarHBondContact OD1-N 2.89Å; E27-A31 WeakPolarHBondContact O-CB 3.47Å; E27-A31 PolarHBondContact O-N 3.19Å
28S93.6Very high90.3Very high6 Ų659.8 Ų59.84%0.04231%0.314CS..Hα-helixtrans-64.6-40.8174.5-61.90000111.7L12 K15 D25 I30 A31 V32L12-S28 VanDerWaalsContact CD2-O 3.28Å; L12-S28 WeakPolarHBondContact CD2-O 3.3Å; K15-S28 VanDerWaalsContact CD-OG 3.25Å; K15-S28 WeakPolarHBondContact CD-OG 3.29Å; K15-S28 WeakPolarHBondContact CG-OG 3.31Å; K15-S28 PolarHBondContact NZ-OG 2.8Å; D25-S28 VanDerWaalsContact CG-CB 3.47Å; D25-S28 PolarHBondContact O-N 3Å; D25-S28 PolarHBondContact OD1-N 2.89Å; D25-S28 PolarHBondContact OD1-OG 3.37Å; D25-S28 VanDerWaalsContact OD2-CB 3.31Å; D25-S28 WeakPolarHBondContact OD2-CB 3.46Å; D25-S28 PolarHBondContact OD2-OG 3.07Å; S28-I30 PolarHBondContact O-N 3.43Å; S28-A31 CarbonylContact O-C 3.59Å; S28-A31 PolarHBondContact O-N 3.48Å; S28-A31 VanDerWaalsContact O-N 3.16Å; S28-V32 WeakPolarHBondContact O-CG2 3.25Å; S28-V32 PolarHBondContact O-N 2.96Å
29I94.2Very high89.8Confident9 Ų961.6 Ų61.65%0.04632%0.318CS..Hα-helixtrans-60.3-45.4179.3-72.2166.1000111.5A16 D25 I26 A31 V32 C33 D67 V68 S71A16-I29 HydrophobicContact CB-CG1 4.4Å; D25-I29 WeakPolarHBondContact O-CB 3.43Å; D25-I29 VanDerWaalsContact O-CG1 3.22Å; D25-I29 WeakPolarHBondContact O-CG1 3.29Å; D25-I29 PolarHBondContact O-N 2.91Å; I26-I29 PolarHBondContact O-N 2.59Å; I29-A31 VanDerWaalsContact C-N 3.34Å; I29-V32 WeakPolarHBondContact O-CB 3.42Å; I29-V32 PolarHBondContact O-N 2.71Å; I29-C33 PolarHBondContact O-N 2.9Å; I29-C33 VanDerWaalsContact O-N 3.07Å; I29-C33 PolarHBondContact O-SG 2.9Å; I29-D67 HydrophobicContact CD1-CB 4.23Å; I29-V68 HydrophobicContact CG1-CG2 4.02Å; I29-S71 VanDerWaalsContact CG2-OG 3.26Å; I29-S71 WeakPolarHBondContact CG2-OG 3.38Å
30I91.3Very high89.4Confident89 Ų8961.2 Ų61.246%0.45632%0.317SS..Hα-helixtrans-60.4-46.4174.1-70.6169.3000109.8I26 S28 V32 C33 D34I26-I30 HydrophobicContact CG2-CD1 3.73Å; I26-I30 HydrophobicContact CG2-CG1 4.26Å; I26-I30 WeakPolarHBondContact O-CB 3.33Å; I26-I30 VanDerWaalsContact O-CG1 3.29Å; I26-I30 WeakPolarHBondContact O-CG1 3.45Å; I26-I30 PolarHBondContact O-N 2.99Å; S28-I30 PolarHBondContact O-N 3.43Å; I30-V32 VanDerWaalsContact C-N 3.34Å; I30-V32 PolarHBondContact O-N 2.86Å; I30-C33 CarbonylContact O-C 3.53Å; I30-C33 WeakPolarHBondContact O-CA 3.14Å; I30-C33 WeakPolarHBondContact O-CB 3.25Å; I30-C33 PolarHBondContact O-N 3.5Å; I30-D34 WeakPolarHBondContact CG2-OD2 3.31Å; I30-D34 VanDerWaalsContact O-CG 3.31Å; I30-D34 PolarHBondContact O-N 3.24Å
31A92Very high89.5Confident29 Ų2954.6 Ų54.624%0.2428%0.284CS..Hα-helixtrans-64.2-32177.700000113.7L12 E27 S28 I29 N35L12-A31 HydrophobicContact CD1-CB 3.98Å; L12-A31 HydrophobicContact CD2-CB 4.05Å; E27-A31 WeakPolarHBondContact O-CB 3.47Å; E27-A31 PolarHBondContact O-N 3.19Å; S28-A31 CarbonylContact O-C 3.59Å; S28-A31 PolarHBondContact O-N 3.48Å; S28-A31 VanDerWaalsContact O-N 3.16Å; I29-A31 VanDerWaalsContact C-N 3.34Å; A31-N35 PolarHBondContact O-N 2.89Å; A31-N35 VanDerWaalsContact O-N 3.15Å; A31-N35 PolarHBondContact O-ND2 3.26Å
32V93.6Very high89.6Confident0 Ų055.5 Ų55.50%029%0.294CS..Hα-helixtrans-59.9-51.1168.3175.50000109.5F9 L12 I13 A16 S28 I29 I30 D34 N35 V36 V68 L72F9-V32 HydrophobicContact CE2-CG1 3.86Å; F9-V32 HydrophobicContact CZ-CG1 3.93Å; L12-V32 HydrophobicContact CD2-CB 4.29Å; L12-V32 HydrophobicContact CD2-CG2 3.37Å; I13-V32 HydrophobicContact CD1-CB 4.48Å; I13-V32 HydrophobicContact CD1-CG1 3.71Å; I13-V32 HydrophobicContact CD1-CG2 3.78Å; I13-V32 HydrophobicContact CG1-CG2 4.49Å; A16-V32 HydrophobicContact CB-CG2 4.43Å; S28-V32 WeakPolarHBondContact O-CG2 3.25Å; S28-V32 PolarHBondContact O-N 2.96Å; I29-V32 WeakPolarHBondContact O-CB 3.42Å; I29-V32 PolarHBondContact O-N 2.71Å; I30-V32 VanDerWaalsContact C-N 3.34Å; I30-V32 PolarHBondContact O-N 2.86Å; V32-D34 VanDerWaalsContact C-N 3.35Å; V32-D34 PolarHBondContact O-N 3.02Å; V32-N35 PolarHBondContact O-N 3.38Å; V32-V36 PolarHBondContact O-N 2.83Å; V32-V68 HydrophobicContact CB-CG1 4.13Å; V32-V68 HydrophobicContact CG1-CG1 3.76Å; V32-V68 HydrophobicContact CG2-CG1 4.09Å; V32-L72 HydrophobicContact CG1-CD1 4.1Å; V32-L72 HydrophobicContact CG1-CD2 4.16Å; V32-L72 HydrophobicContact CG1-CG 4.25Å
33C91.1Very high89.8Confident3 Ų349.7 Ų49.72%0.0227%0.266CS..Hα-helixtrans-59.8-44.7-179-62.60000111.7I29 I30 N35 V36 R37 L72 N75 C76I29-C33 PolarHBondContact O-N 2.9Å; I29-C33 VanDerWaalsContact O-N 3.07Å; I29-C33 PolarHBondContact O-SG 2.9Å; I30-C33 CarbonylContact O-C 3.53Å; I30-C33 WeakPolarHBondContact O-CA 3.14Å; I30-C33 WeakPolarHBondContact O-CB 3.25Å; I30-C33 PolarHBondContact O-N 3.5Å; C33-N35 PolarHBondContact O-N 3.27Å; C33-V36 PolarHBondContact O-N 2.94Å; C33-V36 VanDerWaalsContact O-N 3.13Å; C33-R37 WeakPolarHBondContact O-CB 3.25Å; C33-R37 PolarHBondContact O-N 3.48Å; C33-L72 HydrophobicContact CB-CD2 4.42Å; C33-N75 HydrophobicContact CB-CB 4.46Å; C33-C76 PolarHBondContact O-SG 3.46Å
34D88.9Confident90Very high52 Ų5247.9 Ų47.928%0.27826%0.256SS..Hα-helixtrans-66.9-36.4-178.1-65.3-19.8000112.4I30 V32 V36 R37 S38I30-D34 WeakPolarHBondContact CG2-OD2 3.31Å; I30-D34 VanDerWaalsContact O-CG 3.31Å; I30-D34 PolarHBondContact O-N 3.24Å; V32-D34 VanDerWaalsContact C-N 3.35Å; V32-D34 PolarHBondContact O-N 3.02Å; D34-V36 PolarHBondContact O-N 2.76Å; D34-R37 PolarHBondContact O-N 2.95Å; D34-R37 IonicContact OD1-CZ 2.66Å; D34-R37 IonicContact OD1-NH1 3.88Å; D34-R37 PolarHBondContact OD1-NH1 2.85Å; D34-R37 IonicContact OD1-NH2 3.19Å; D34-R37 PolarHBondContact OD1-NH2 2.86Å; D34-S38 WeakPolarHBondContact O-CB 3.23Å; D34-S38 PolarHBondContact O-N 3.48Å; D34-S38 PolarHBondContact O-OG 3.18Å
35N89.4Confident90.2Very high26 Ų2647.1 Ų47.114%0.13925%0.245CC..Hα-helixtrans-62.2-31.1174.1-84.9-98.8000112.3F9 A31 V32 C33 S38 E40 I41F9-N35 HydrophobicContact CD2-CB 3.86Å; F9-N35 HydrophobicContact CE2-CB 4.15Å; A31-N35 PolarHBondContact O-N 2.89Å; A31-N35 VanDerWaalsContact O-N 3.15Å; A31-N35 PolarHBondContact O-ND2 3.26Å; V32-N35 PolarHBondContact O-N 3.38Å; C33-N35 PolarHBondContact O-N 3.27Å; N35-S38 PolarHBondContact O-OG 3Å; N35-E40 PolarHBondContact O-N 2.78Å; N35-E40 VanDerWaalsContact O-N 3.11Å; N35-I41 HydrophobicContact CB-CG1 4.27Å; N35-I41 PolarHBondContact O-N 3.3Å
36V90Very high90.3Very high7 Ų745.9 Ų45.94%0.04224%0.239CC..Hα-helixtrans-81.4-47.4174.9-179.90000111.3F9 V32 C33 D34 S38 Q39 P43 A46 L72 C76 V80F9-V36 HydrophobicContact CE2-CG2 4.27Å; F9-V36 HydrophobicContact CZ-CG2 4.49Å; V32-V36 PolarHBondContact O-N 2.83Å; C33-V36 PolarHBondContact O-N 2.94Å; C33-V36 VanDerWaalsContact O-N 3.13Å; D34-V36 PolarHBondContact O-N 2.76Å; V36-S38 VanDerWaalsContact C-N 3.34Å; V36-S38 PolarHBondContact O-N 3.46Å; V36-Q39 WeakPolarHBondContact O-CA 3.45Å; V36-Q39 PolarHBondContact O-N 3.49Å; V36-P43 HydrophobicContact CG1-CB 4.33Å; V36-P43 HydrophobicContact CG1-CG 3.93Å; V36-A46 HydrophobicContact CG2-CB 3.68Å; V36-L72 HydrophobicContact CB-CD2 4.23Å; V36-L72 HydrophobicContact CG2-CD2 3.99Å; V36-C76 HydrophobicContact CG1-CB 4.28Å; V36-V80 HydrophobicContact CG1-CG2 4Å
37R85.4Confident90.4Very high16 Ų1640.9 Ų40.96%0.0621%0.214CC..Hα-helixtrans-65.1-34.3-177.4-142.6-175.6-43.791.92.6113C33 D34 Q39 N75 A156 F202C33-R37 WeakPolarHBondContact O-CB 3.25Å; C33-R37 PolarHBondContact O-N 3.48Å; D34-R37 PolarHBondContact O-N 2.95Å; D34-R37 IonicContact OD1-CZ 2.66Å; D34-R37 IonicContact OD1-NH1 3.88Å; D34-R37 PolarHBondContact OD1-NH1 2.85Å; D34-R37 IonicContact OD1-NH2 3.19Å; D34-R37 PolarHBondContact OD1-NH2 2.86Å; R37-Q39 PolarHBondContact O-N 3.19Å; R37-N75 WeakPolarHBondContact CD-O 3.43Å; R37-N75 PolarHBondContact NE-O 3.37Å; R37-A156 WeakPolarHBondContact O-CB 3.4Å; R37-F202 WeakPolarHBondContact CD-O 3.48Å; R37-F202 PolarHBondContact NH1-O 3.13Å
38S83.3Confident90.4Very high48 Ų4838.9 Ų38.934%0.33620%0.204SC..THydrogen-bonded Turntrans-76.2-4.3172.261.70000114.6D34 N35 V36 E40D34-S38 WeakPolarHBondContact O-CB 3.23Å; D34-S38 PolarHBondContact O-N 3.48Å; D34-S38 PolarHBondContact O-OG 3.18Å; N35-S38 PolarHBondContact O-OG 3Å; V36-S38 VanDerWaalsContact C-N 3.34Å; V36-S38 PolarHBondContact O-N 3.46Å; S38-E40 PolarHBondContact O-N 3.28Å
39Q81.7Confident90.4Very high75 Ų7539 Ų3935%0.3521%0.205SC..THydrogen-bonded Turntrans61.225.5-176.8-53.51764.800113.7V36 R37 I41 A156 P157 W159V36-Q39 WeakPolarHBondContact O-CA 3.45Å; V36-Q39 PolarHBondContact O-N 3.49Å; R37-Q39 PolarHBondContact O-N 3.19Å; Q39-I41 VanDerWaalsContact C-N 3.33Å; Q39-A156 PolarHBondContact NE2-O 2.94Å; Q39-P157 PolarHBondContact NE2-O 3.35Å; Q39-W159 VanDerWaalsContact OE1-CD1 3.29Å
40E84.5Confident90.4Very high93 Ų9338.6 Ų38.644%0.43520%0.203SC..SBendtrans-73.1-27.4168.9-74.6-147.8-151.600112.6K5 N35 S38K5-E40 VanDerWaalsContact NZ-CD 3.26Å; K5-E40 IonicContact NZ-OE2 3.62Å; K5-E40 PolarHBondContact NZ-OE2 2.7Å; N35-E40 PolarHBondContact O-N 2.78Å; N35-E40 VanDerWaalsContact O-N 3.11Å; S38-E40 PolarHBondContact O-N 3.28Å
41I90.1Very high90.5Very high7 Ų737.3 Ų37.34%0.03619%0.194CC..SBendtrans-127.7137.7174-62.9-67.6000109K5 R6 F9 N35 Q39 Y45 A46K5-I41 HydrophobicContact CB-CD1 4.17Å; R6-I41 HydrophobicContact CG-CD1 4.34Å; F9-I41 HydrophobicContact CB-CD1 3.81Å; F9-I41 HydrophobicContact CB-CG1 3.87Å; F9-I41 HydrophobicContact CD1-CG2 4.21Å; F9-I41 HydrophobicContact CD2-CB 4.22Å; F9-I41 HydrophobicContact CD2-CG1 3.7Å; F9-I41 HydrophobicContact CD2-CG2 4.2Å; F9-I41 HydrophobicContact CE1-CG2 4.21Å; F9-I41 HydrophobicContact CE2-CB 4.41Å; F9-I41 HydrophobicContact CE2-CG1 4.38Å; F9-I41 HydrophobicContact CE2-CG2 4.17Å; F9-I41 HydrophobicContact CG-CB 4.49Å; F9-I41 HydrophobicContact CG-CD1 4.13Å; F9-I41 HydrophobicContact CG-CG1 3.79Å; F9-I41 HydrophobicContact CG-CG2 4.2Å; F9-I41 HydrophobicContact CZ-CG2 4.18Å; N35-I41 HydrophobicContact CB-CG1 4.27Å; N35-I41 PolarHBondContact O-N 3.3Å; Q39-I41 VanDerWaalsContact C-N 3.33Å; I41-Y45 HydrophobicContact CG2-CD1 3.93Å; I41-A46 HydrophobicContact CG2-CB 4.45Å
42S90.2Very high90.6Very high62 Ų6241.5 Ų41.543%0.43421%0.207SC..  trans-73.2137.5177.152.60000111.3K44 Y45 A46S42-K44 VanDerWaalsContact C-N 3.27Å; S42-K44 PolarHBondContact O-N 2.98Å; S42-Y45 WeakPolarHBondContact O-CB 3.43Å; S42-Y45 PolarHBondContact O-N 3.45Å; S42-Y45 WeakPolarHBondContact OG-CB 3.28Å; S42-A46 PolarHBondContact O-N 3.23Å
43P90.9Very high90.6Very high29 Ų2944.1 Ų44.119%0.18822%0.217CC..Hα-helixtrans-49.2-45.2177.9-30.134.2000113.7V36 Y45 A46 V47 P79 V80V36-P43 HydrophobicContact CG1-CB 4.33Å; V36-P43 HydrophobicContact CG1-CG 3.93Å; P43-Y45 VanDerWaalsContact C-N 3.27Å; P43-Y45 PolarHBondContact O-N 2.65Å; P43-A46 WeakPolarHBondContact O-CB 3.39Å; P43-A46 PolarHBondContact O-N 3.42Å; P43-A46 VanDerWaalsContact O-N 3.08Å; P43-V47 WeakPolarHBondContact O-CG2 3.32Å; P43-V47 PolarHBondContact O-N 3.08Å; P43-P79 HydrophobicContact CB-CB 4.46Å; P43-P79 WeakPolarHBondContact CB-O 3.23Å; P43-P79 HydrophobicContact CG-CB 3.74Å; P43-V80 HydrophobicContact CB-CG2 4.01Å
44K92.8Very high90.7Very high117 Ų11744.2 Ų44.251%0.50922%0.217SC..Hα-helixtrans-51.5-41174.7-170.8167-145.769.10113.8S42 Q48 E83S42-K44 VanDerWaalsContact C-N 3.27Å; S42-K44 PolarHBondContact O-N 2.98Å; K44-Q48 WeakPolarHBondContact O-CB 3.47Å; K44-Q48 PolarHBondContact O-N 3.08Å; K44-E83 HydrophobicContact CB-CG 4.26Å; K44-E83 WeakPolarHBondContact CB-OE1 3.48Å; K44-E83 WeakPolarHBondContact CD-OE1 3.42Å; K44-E83 WeakPolarHBondContact CG-OE1 3.31Å; K44-E83 WeakPolarHBondContact CG-OE2 3.24Å; K44-E83 IonicContact NZ-OE1 3.16Å; K44-E83 PolarHBondContact NZ-OE1 3.14Å; K44-E83 IonicContact NZ-OE2 2.61Å; K44-E83 PolarHBondContact NZ-OE2 3.02Å
45Y93.7Very high90.8Very high34 Ų3447.4 Ų47.413%0.13323%0.23CC..Hα-helixtrans-73.2-40.9178.6-173.2-96.5000111.3R6 F9 D10 I41 S42 P43 Q48 C49R6-Y45 HydrophobicContact CB-CE1 3.99Å; R6-Y45 HydrophobicContact CG-CD1 4.25Å; R6-Y45 HydrophobicContact CG-CE1 3.77Å; R6-Y45 HydrophobicContact CG-CE2 4.28Å; F9-Y45 HydrophobicContact CD1-CD1 4.25Å; F9-Y45 HydrophobicContact CD1-CE1 4.15Å; F9-Y45 HydrophobicContact CE1-CD1 4.48Å; D10-Y45 VanDerWaalsContact CG-OH 3.29Å; D10-Y45 VanDerWaalsContact OD1-CE1 3.25Å; D10-Y45 WeakPolarHBondContact OD1-CE1 3.37Å; D10-Y45 PolarHBondContact OD1-OH 3.03Å; D10-Y45 PolarHBondContact OD2-OH 3.38Å; I41-Y45 HydrophobicContact CG2-CD1 3.93Å; S42-Y45 WeakPolarHBondContact O-CB 3.43Å; S42-Y45 PolarHBondContact O-N 3.45Å; S42-Y45 WeakPolarHBondContact OG-CB 3.28Å; P43-Y45 VanDerWaalsContact C-N 3.27Å; P43-Y45 PolarHBondContact O-N 2.65Å; Y45-Q48 PolarHBondContact O-N 2.72Å; Y45-C49 PolarHBondContact O-N 3.13Å
46A94.2Very high90.9Very high0 Ų048.2 Ų48.20%024%0.237CC..Hα-helixtrans-60-48.8175.800000111.9F9 V36 I41 S42 P43 Q48 C49 L50F9-A46 HydrophobicContact CE1-CB 4.04Å; F9-A46 HydrophobicContact CE2-CB 4.48Å; F9-A46 HydrophobicContact CZ-CB 3.54Å; V36-A46 HydrophobicContact CG2-CB 3.68Å; I41-A46 HydrophobicContact CG2-CB 4.45Å; S42-A46 PolarHBondContact O-N 3.23Å; P43-A46 WeakPolarHBondContact O-CB 3.39Å; P43-A46 PolarHBondContact O-N 3.42Å; P43-A46 VanDerWaalsContact O-N 3.08Å; A46-Q48 VanDerWaalsContact C-N 3.34Å; A46-Q48 PolarHBondContact O-N 2.93Å; A46-C49 PolarHBondContact O-N 3.23Å; A46-L50 PolarHBondContact O-N 3.39Å
47V94.5Very high90.8Very high7 Ų755.6 Ų55.64%0.04228%0.277CS..Hα-helixtrans-64.2-38.2175.8178.20000111.1P43 C49 L50 K51 E83 V84 F89P43-V47 WeakPolarHBondContact O-CG2 3.32Å; P43-V47 PolarHBondContact O-N 3.08Å; V47-C49 PolarHBondContact O-N 3.44Å; V47-L50 PolarHBondContact O-N 3.32Å; V47-K51 WeakPolarHBondContact O-CB 3.47Å; V47-K51 PolarHBondContact O-N 2.91Å; V47-E83 HydrophobicContact CB-CB 4.36Å; V47-E83 HydrophobicContact CG1-CB 4.48Å; V47-E83 HydrophobicContact CG2-CB 4.05Å; V47-V84 HydrophobicContact CG1-CG2 4.17Å; V47-V84 HydrophobicContact CG2-CG2 3.67Å; V47-F89 HydrophobicContact CG1-CD2 3.84Å; V47-F89 HydrophobicContact CG1-CE2 3.54Å; V47-F89 HydrophobicContact CG1-CZ 4.09Å
48Q93.5Very high91Very high108 Ų10857 Ų5751%0.50529%0.286SS..Hα-helixtrans-65.7-34.8175.2-171.5178.524.100112.9K44 Y45 A46K44-Q48 WeakPolarHBondContact O-CB 3.47Å; K44-Q48 PolarHBondContact O-N 3.08Å; Y45-Q48 PolarHBondContact O-N 2.72Å; A46-Q48 VanDerWaalsContact C-N 3.34Å; A46-Q48 PolarHBondContact O-N 2.93Å
49C93.8Very high91.4Very high9 Ų957.3 Ų57.36%0.06129%0.286CS..Hα-helixtrans-71.1-41174.3-72.70000111.6D10 Y45 A46 V47 K52 R53D10-C49 PolarHBondContact OD1-SG 3.43Å; Y45-C49 PolarHBondContact O-N 3.13Å; A46-C49 PolarHBondContact O-N 3.23Å; V47-C49 PolarHBondContact O-N 3.44Å; C49-K52 WeakPolarHBondContact O-CB 3.46Å; C49-K52 PolarHBondContact O-N 3.02Å; C49-R53 PolarHBondContact O-N 3.36Å
50L94.3Very high91.8Very high0 Ų057.2 Ų57.20%029%0.288CS..Hα-helixtrans-64.5-38.2172.5-71.8174.8000112.9I13 T17 A46 V47 K52 R53 L54 V68 L69 L72I13-L50 HydrophobicContact CD1-CD2 4.1Å; I13-L50 HydrophobicContact CD1-CG 4.32Å; I13-L50 HydrophobicContact CG2-CD2 4.41Å; T17-L50 HydrophobicContact CG2-CD2 4.45Å; A46-L50 PolarHBondContact O-N 3.39Å; V47-L50 PolarHBondContact O-N 3.32Å; L50-K52 PolarHBondContact O-N 2.9Å; L50-K52 VanDerWaalsContact O-N 3.1Å; L50-R53 PolarHBondContact O-N 3.4Å; L50-L54 WeakPolarHBondContact O-CG 3.47Å; L50-L54 PolarHBondContact O-N 3.13Å; L50-V68 HydrophobicContact CD1-CB 4.34Å; L50-V68 HydrophobicContact CD1-CG1 4.11Å; L50-V68 HydrophobicContact CD2-CB 3.95Å; L50-V68 HydrophobicContact CD2-CG1 4.07Å; L50-V68 HydrophobicContact CD2-CG2 4.48Å; L50-L69 HydrophobicContact CD1-CB 4.24Å; L50-L69 HydrophobicContact CD1-CD1 4.32Å; L50-L72 HydrophobicContact CD1-CD1 3.59Å
51K93.8Very high92.3Very high62 Ų6253 Ų5327%0.2727%0.269SS..Hα-helixtrans-54-30.7174.6-166179.8174.279.40112.6V47 Q55 F89 Q92V47-K51 WeakPolarHBondContact O-CB 3.47Å; V47-K51 PolarHBondContact O-N 2.91Å; K51-Q55 VanDerWaalsContact O-CD 3.31Å; K51-Q55 VanDerWaalsContact O-CG 3.24Å; K51-Q55 WeakPolarHBondContact O-CG 3.35Å; K51-Q55 PolarHBondContact O-OE1 2.89Å; K51-F89 HydrophobicContact CB-CE2 4.04Å; K51-F89 HydrophobicContact CD-CD2 4.43Å; K51-F89 HydrophobicContact CG-CD2 4.42Å; K51-F89 HydrophobicContact CG-CE2 4.2Å; K51-Q92 VanDerWaalsContact CG-OE1 3.27Å
52K93.7Very high92.5Very high117 Ų11752.9 Ų52.951%0.50927%0.268SS..Hα-helixtrans-78-39.6174.2-61.8171.4-175.4173.10113C49 L50 L54 Q55C49-K52 WeakPolarHBondContact O-CB 3.46Å; C49-K52 PolarHBondContact O-N 3.02Å; L50-K52 PolarHBondContact O-N 2.9Å; L50-K52 VanDerWaalsContact O-N 3.1Å; K52-L54 VanDerWaalsContact C-N 3.34Å; K52-Q55 WeakPolarHBondContact O-CA 3.36Å; K52-Q55 WeakPolarHBondContact O-CB 3.32Å; K52-Q55 PolarHBondContact O-N 2.96Å
53R93.5Very high92.7Very high55 Ų5551.2 Ų51.221%0.20825%0.254CS..Hα-helixtrans-70.8-32.3179.4-57-64-73.4178.7-1111.8I13 T17 C49 L50 Q55 C56 V61 S65I13-R53 HydrophobicContact CG2-CG 3.9Å; T17-R53 PolarHBondContact O-NH2 3.45Å; T17-R53 PolarHBondContact OG1-NE 3.37Å; T17-R53 PolarHBondContact OG1-NH2 2.95Å; C49-R53 PolarHBondContact O-N 3.36Å; L50-R53 PolarHBondContact O-N 3.4Å; R53-Q55 PolarHBondContact O-N 2.75Å; R53-C56 WeakPolarHBondContact O-CB 3.47Å; R53-C56 PolarHBondContact O-N 2.91Å; R53-V61 HydrophobicContact CB-CG1 4.23Å; R53-S65 WeakPolarHBondContact CB-OG 3.22Å
54L93.6Very high92.9Very high4 Ų452 Ų522%0.02125%0.254CS..THydrogen-bonded Turntrans-67.5-8.9166.9-67.4168.8000113.8L50 K52 I62 F66 L69 F89 L93 M96L50-L54 WeakPolarHBondContact O-CG 3.47Å; L50-L54 PolarHBondContact O-N 3.13Å; K52-L54 VanDerWaalsContact C-N 3.34Å; L54-I62 HydrophobicContact CD2-CG2 4.16Å; L54-F66 HydrophobicContact CD2-CD2 3.83Å; L54-F66 HydrophobicContact CD2-CE2 3.69Å; L54-F66 HydrophobicContact CD2-CG 4.35Å; L54-F66 HydrophobicContact CD2-CZ 4.1Å; L54-L69 HydrophobicContact CD1-CD2 4.35Å; L54-F89 HydrophobicContact CD1-CZ 3.97Å; L54-L93 HydrophobicContact CD1-CD2 3.98Å; L54-M96 HydrophobicContact CB-CE 3.99Å; L54-M96 HydrophobicContact CB-SD 4.14Å; L54-M96 HydrophobicContact CD2-CE 4.01Å; L54-M96 WeakPolarHBondContact O-CE 3.07Å
55Q90.8Very high93Very high120 Ų12046.5 Ų46.556%0.56123%0.229SC*.THydrogen-bonded Turntrans-105.410.2175.5-72172.2-20.100112.6K51 K52 R53K51-Q55 VanDerWaalsContact O-CD 3.31Å; K51-Q55 VanDerWaalsContact O-CG 3.24Å; K51-Q55 WeakPolarHBondContact O-CG 3.35Å; K51-Q55 PolarHBondContact O-OE1 2.89Å; K52-Q55 WeakPolarHBondContact O-CA 3.36Å; K52-Q55 WeakPolarHBondContact O-CB 3.32Å; K52-Q55 PolarHBondContact O-N 2.96Å; R53-Q55 PolarHBondContact O-N 2.75Å
56C90.1Very high93Very high42 Ų4244.9 Ų44.928%0.28422%0.223SC..SBendtrans-84.9140.8173.4-63.30000110.8R53 N58 V61 I62R53-C56 WeakPolarHBondContact O-CB 3.47Å; R53-C56 PolarHBondContact O-N 2.91Å; C56-N58 PolarHBondContact O-N 3.44Å; C56-V61 HydrophobicContact CB-CB 4.3Å; C56-V61 HydrophobicContact CB-CG1 3.96Å; C56-I62 WeakPolarHBondContact O-CD1 3.46Å; C56-I62 WeakPolarHBondContact O-CG1 3.46Å
57D89.1Confident93Very high163 Ų16346 Ų4687%0.87223%0.229SC*.SBendtrans-66.9-19.4-177.3-46.9-80.5000113.9P59D57-P59 WeakPolarHBondContact O-CD 3.19Å
58N90.1Very high93Very high46 Ų4645.6 Ų45.625%0.24623%0.227CC..  trans-78.3115.9-177.7-174.9-26.3000111E19 C56 N60 V61 I62E19-N58 WeakPolarHBondContact CB-ND2 3.39Å; E19-N58 PolarHBondContact OE2-ND2 3.23Å; C56-N58 PolarHBondContact O-N 3.44Å; N58-N60 VanDerWaalsContact C-N 3.27Å; N58-N60 PolarHBondContact O-N 2.95Å; N58-N60 WeakPolarHBondContact OD1-CB 3.42Å; N58-N60 PolarHBondContact OD1-N 3.24Å; N58-V61 HydrophobicContact CB-CB 4.33Å; N58-V61 HydrophobicContact CB-CG2 3.9Å; N58-V61 WeakPolarHBondContact O-CB 3.35Å; N58-V61 PolarHBondContact O-N 2.86Å; N58-I62 PolarHBondContact O-N 3.48Å
59P91.1Very high93.1Very high53 Ų5340.5 Ų40.534%0.34420%0.203SC..Hα-helixtrans-63.4-28.6-175.926-34.8000113.3D57 V61 I62 L63 V103D57-P59 WeakPolarHBondContact O-CD 3.19Å; P59-V61 VanDerWaalsContact C-N 3.34Å; P59-V61 PolarHBondContact O-N 2.95Å; P59-I62 PolarHBondContact O-N 3.27Å; P59-L63 WeakPolarHBondContact O-CB 3.5Å; P59-L63 VanDerWaalsContact O-CG 3.31Å; P59-L63 WeakPolarHBondContact O-CG 3.46Å; P59-L63 PolarHBondContact O-N 3.07Å; P59-V103 HydrophobicContact CB-CG2 4.44Å
60N90.7Very high93Very high73 Ų7341.3 Ų41.339%0.3921%0.206SC..Hα-helixtrans-65.9-38.9175.3-70.8-11.1000111.4N58 I62 L63 R64N58-N60 VanDerWaalsContact C-N 3.27Å; N58-N60 PolarHBondContact O-N 2.95Å; N58-N60 WeakPolarHBondContact OD1-CB 3.42Å; N58-N60 PolarHBondContact OD1-N 3.24Å; N60-I62 VanDerWaalsContact C-N 3.33Å; N60-L63 PolarHBondContact O-N 3.06Å; N60-R64 WeakPolarHBondContact O-CB 3.15Å; N60-R64 VanDerWaalsContact O-CG 3.29Å; N60-R64 WeakPolarHBondContact O-CG 3.42Å; N60-R64 PolarHBondContact O-N 3.22Å
61V94.3Very high92.8Very high5 Ų542.7 Ų42.73%0.0322%0.215CC..Hα-helixtrans-65.4-39.9175.9-1800000110.4E19 R53 C56 N58 P59 S65E19-V61 HydrophobicContact CB-CG2 3.8Å; R53-V61 HydrophobicContact CB-CG1 4.23Å; C56-V61 HydrophobicContact CB-CB 4.3Å; C56-V61 HydrophobicContact CB-CG1 3.96Å; N58-V61 HydrophobicContact CB-CB 4.33Å; N58-V61 HydrophobicContact CB-CG2 3.9Å; N58-V61 WeakPolarHBondContact O-CB 3.35Å; N58-V61 PolarHBondContact O-N 2.86Å; P59-V61 VanDerWaalsContact C-N 3.34Å; P59-V61 PolarHBondContact O-N 2.95Å; V61-S65 VanDerWaalsContact O-CB 3.29Å; V61-S65 WeakPolarHBondContact O-CB 3.41Å; V61-S65 PolarHBondContact O-N 3.22Å; V61-S65 PolarHBondContact O-OG 3.35Å
62I94.2Very high92.8Very high4 Ų439.7 Ų39.72%0.02120%0.202CC..Hα-helixtrans-62-52.2174.1-62174.1000110.7L54 C56 N58 P59 N60 R64 S65 F66 M96 T99 V103L54-I62 HydrophobicContact CD2-CG2 4.16Å; C56-I62 WeakPolarHBondContact O-CD1 3.46Å; C56-I62 WeakPolarHBondContact O-CG1 3.46Å; N58-I62 PolarHBondContact O-N 3.48Å; P59-I62 PolarHBondContact O-N 3.27Å; N60-I62 VanDerWaalsContact C-N 3.33Å; I62-R64 PolarHBondContact O-N 3.16Å; I62-S65 WeakPolarHBondContact O-CA 3.44Å; I62-S65 VanDerWaalsContact O-CB 3.31Å; I62-S65 WeakPolarHBondContact O-CB 3.29Å; I62-S65 PolarHBondContact O-N 2.97Å; I62-S65 VanDerWaalsContact O-N 3.08Å; I62-F66 HydrophobicContact CG2-CD2 3.83Å; I62-F66 HydrophobicContact CG2-CE2 3.61Å; I62-F66 WeakPolarHBondContact O-CD2 3.38Å; I62-F66 PolarHBondContact O-N 3.44Å; I62-M96 HydrophobicContact CD1-CE 4.19Å; I62-M96 HydrophobicContact CG1-CE 4.32Å; I62-M96 HydrophobicContact CG2-CE 3.47Å; I62-M96 VanDerWaalsContact CG2-CE 3.47Å; I62-T99 HydrophobicContact CD1-CG2 4.08Å; I62-V103 HydrophobicContact CB-CG2 4.01Å; I62-V103 HydrophobicContact CG2-CB 4.35Å; I62-V103 HydrophobicContact CG2-CG1 3.73Å; I62-V103 HydrophobicContact CG2-CG2 3.62Å
63L93.6Very high92.6Very high28 Ų2834.1 Ų34.115%0.14718%0.178CC..Hα-helixtrans-58.8-49.2-178.6-73.2169.5000112.1P59 N60 S65 F66 D67 D102 V103 K106P59-L63 WeakPolarHBondContact O-CB 3.5Å; P59-L63 VanDerWaalsContact O-CG 3.31Å; P59-L63 WeakPolarHBondContact O-CG 3.46Å; P59-L63 PolarHBondContact O-N 3.07Å; N60-L63 PolarHBondContact O-N 3.06Å; L63-S65 PolarHBondContact O-N 3.36Å; L63-F66 WeakPolarHBondContact O-CA 3.42Å; L63-F66 WeakPolarHBondContact O-CB 3.36Å; L63-F66 PolarHBondContact O-N 2.86Å; L63-D67 PolarHBondContact O-N 2.78Å; L63-D67 VanDerWaalsContact O-N 3.13Å; L63-D102 HydrophobicContact CD1-CB 4.06Å; L63-D102 HydrophobicContact CD2-CB 4.3Å; L63-V103 HydrophobicContact CD2-CG2 4.11Å; L63-V103 HydrophobicContact CG-CG2 4.07Å; L63-K106 HydrophobicContact CD2-CB 3.91Å; L63-K106 HydrophobicContact CD2-CG 4.34Å
64R94.8Very high92.3Very high46 Ų4633.1 Ų33.117%0.17418%0.175CC..Hα-helixtrans-64.9-29.7176.7-59.6-67.6155.5-116.3-2111.8L21 I22 N60 I62 D67 V68L21-R64 HydrophobicContact CB-CG 4.42Å; I22-R64 PolarHBondContact O-NH2 3.18Å; N60-R64 WeakPolarHBondContact O-CB 3.15Å; N60-R64 VanDerWaalsContact O-CG 3.29Å; N60-R64 WeakPolarHBondContact O-CG 3.42Å; N60-R64 PolarHBondContact O-N 3.22Å; I62-R64 PolarHBondContact O-N 3.16Å; R64-D67 IonicContact CZ-OD2 2.76Å; R64-D67 IonicContact NH1-OD2 2.69Å; R64-D67 PolarHBondContact NH1-OD2 3.22Å; R64-D67 PolarHBondContact O-N 3.11Å; R64-V68 VanDerWaalsContact O-CG2 3.25Å; R64-V68 WeakPolarHBondContact O-CG2 3.21Å; R64-V68 PolarHBondContact O-N 3.21Å; R64-V68 VanDerWaalsContact O-N 3.15Å
65S95.3Very high91.9Very high0 Ų034.8 Ų34.80%018%0.184CC..Hα-helixtrans-67.5-33.8171.6-58.90000113R53 V61 I62 L63 L69R53-S65 WeakPolarHBondContact CB-OG 3.22Å; V61-S65 VanDerWaalsContact O-CB 3.29Å; V61-S65 WeakPolarHBondContact O-CB 3.41Å; V61-S65 PolarHBondContact O-N 3.22Å; V61-S65 PolarHBondContact O-OG 3.35Å; I62-S65 WeakPolarHBondContact O-CA 3.44Å; I62-S65 VanDerWaalsContact O-CB 3.31Å; I62-S65 WeakPolarHBondContact O-CB 3.29Å; I62-S65 PolarHBondContact O-N 2.97Å; I62-S65 VanDerWaalsContact O-N 3.08Å; L63-S65 PolarHBondContact O-N 3.36Å; S65-L69 VanDerWaalsContact O-CB 3.25Å; S65-L69 WeakPolarHBondContact O-CB 3.47Å; S65-L69 PolarHBondContact O-N 2.99Å
66F94.5Very high91.6Very high0 Ų029 Ų290%016%0.157CC..Hα-helixtrans-65.6-40.1170.2-83.7-76.8000111.8L54 I62 L63 V68 L69 E70 L93 M96 V103 K106 L107L54-F66 HydrophobicContact CD2-CD2 3.83Å; L54-F66 HydrophobicContact CD2-CE2 3.69Å; L54-F66 HydrophobicContact CD2-CG 4.35Å; L54-F66 HydrophobicContact CD2-CZ 4.1Å; I62-F66 HydrophobicContact CG2-CD2 3.83Å; I62-F66 HydrophobicContact CG2-CE2 3.61Å; I62-F66 WeakPolarHBondContact O-CD2 3.38Å; I62-F66 PolarHBondContact O-N 3.44Å; L63-F66 WeakPolarHBondContact O-CA 3.42Å; L63-F66 WeakPolarHBondContact O-CB 3.36Å; L63-F66 PolarHBondContact O-N 2.86Å; F66-V68 PolarHBondContact O-N 3.36Å; F66-L69 HydrophobicContact CD1-CD2 4.35Å; F66-L69 PolarHBondContact O-N 3.43Å; F66-E70 WeakPolarHBondContact O-CB 3.35Å; F66-E70 PolarHBondContact O-N 3.37Å; F66-L93 HydrophobicContact CE1-CD2 3.95Å; F66-L93 HydrophobicContact CZ-CD2 3.94Å; F66-M96 HydrophobicContact CE2-CE 4.15Å; F66-V103 HydrophobicContact CE2-CG1 4.12Å; F66-K106 HydrophobicContact CB-CG 3.8Å; F66-K106 HydrophobicContact CG-CG 4.22Å; F66-L107 HydrophobicContact CE1-CB 4.44Å; F66-L107 HydrophobicContact CE1-CD1 3.99Å; F66-L107 HydrophobicContact CZ-CB 4.19Å; F66-L107 HydrophobicContact CZ-CD1 4.03Å
67D93.5Very high91.3Very high23 Ų2327.6 Ų27.612%0.12315%0.15CC..Hα-helixtrans-61.7-42.8176.5-56.8-35.5000112.2I29 L63 R64 S71I29-D67 HydrophobicContact CD1-CB 4.23Å; L63-D67 PolarHBondContact O-N 2.78Å; L63-D67 VanDerWaalsContact O-N 3.13Å; R64-D67 IonicContact CZ-OD2 2.76Å; R64-D67 IonicContact NH1-OD2 2.69Å; R64-D67 PolarHBondContact NH1-OD2 3.22Å; R64-D67 PolarHBondContact O-N 3.11Å; D67-S71 VanDerWaalsContact O-CB 3.27Å; D67-S71 WeakPolarHBondContact O-CB 3.39Å; D67-S71 PolarHBondContact O-N 2.75Å; D67-S71 PolarHBondContact O-OG 2.99Å
68V95.1Very high91.1Very high0 Ų023.1 Ų23.10%013%0.128CC..Hα-helixtrans-64.9-41.8174.5-169.30000111I13 A16 T17 I29 V32 L50 R64 F66 S71 L72I13-V68 HydrophobicContact CD1-CG1 4.29Å; A16-V68 HydrophobicContact CB-CG2 3.98Å; T17-V68 HydrophobicContact CG2-CG2 3.71Å; I29-V68 HydrophobicContact CG1-CG2 4.02Å; V32-V68 HydrophobicContact CB-CG1 4.13Å; V32-V68 HydrophobicContact CG1-CG1 3.76Å; V32-V68 HydrophobicContact CG2-CG1 4.09Å; L50-V68 HydrophobicContact CD1-CB 4.34Å; L50-V68 HydrophobicContact CD1-CG1 4.11Å; L50-V68 HydrophobicContact CD2-CB 3.95Å; L50-V68 HydrophobicContact CD2-CG1 4.07Å; L50-V68 HydrophobicContact CD2-CG2 4.48Å; R64-V68 VanDerWaalsContact O-CG2 3.25Å; R64-V68 WeakPolarHBondContact O-CG2 3.21Å; R64-V68 PolarHBondContact O-N 3.21Å; R64-V68 VanDerWaalsContact O-N 3.15Å; F66-V68 PolarHBondContact O-N 3.36Å; V68-S71 PolarHBondContact O-N 3.45Å; V68-L72 HydrophobicContact CG1-CD1 4.37Å; V68-L72 WeakPolarHBondContact O-CB 3.46Å; V68-L72 WeakPolarHBondContact O-CG 3.26Å; V68-L72 PolarHBondContact O-N 3.32Å
69L94.7Very high90.9Very high0 Ų022.8 Ų22.80%013%0.128CC..Hα-helixtrans-65.1-45.7180-179.263.8000111.9L50 L54 S65 F66 S71 L72 M73 V84 F89 W114L50-L69 HydrophobicContact CD1-CB 4.24Å; L50-L69 HydrophobicContact CD1-CD1 4.32Å; L54-L69 HydrophobicContact CD1-CD2 4.35Å; S65-L69 VanDerWaalsContact O-CB 3.25Å; S65-L69 WeakPolarHBondContact O-CB 3.47Å; S65-L69 PolarHBondContact O-N 2.99Å; F66-L69 HydrophobicContact CD1-CD2 4.35Å; F66-L69 PolarHBondContact O-N 3.43Å; L69-S71 VanDerWaalsContact C-N 3.33Å; L69-L72 PolarHBondContact O-N 2.98Å; L69-M73 WeakPolarHBondContact O-CB 3.34Å; L69-M73 VanDerWaalsContact O-CG 3.29Å; L69-M73 WeakPolarHBondContact O-CG 3.35Å; L69-M73 PolarHBondContact O-N 3.4Å; L69-V84 HydrophobicContact CD1-CG1 4.04Å; L69-V84 HydrophobicContact CD1-CG2 3.69Å; L69-F89 HydrophobicContact CD1-CE1 4.31Å; L69-F89 HydrophobicContact CD1-CZ 4.23Å; L69-F89 HydrophobicContact CD2-CE1 3.94Å; L69-F89 HydrophobicContact CD2-CZ 4.14Å; L69-W114 HydrophobicContact CD2-CH2 3.82Å; L69-W114 HydrophobicContact CD2-CZ2 4.44Å; L69-W114 HydrophobicContact CG-CH2 4.15Å; L69-W114 HydrophobicContact CG-CZ2 4.34Å
70E92Very high90.9Very high26 Ų2620.2 Ų20.212%0.12111%0.112CC..Hα-helixtrans-61.1-43.8175.6-168.7-166.114700110.9F66 M73 K74 K106F66-E70 WeakPolarHBondContact O-CB 3.35Å; F66-E70 PolarHBondContact O-N 3.37Å; E70-M73 PolarHBondContact O-N 2.95Å; E70-K74 HydrophobicContact CG-CD 4.31Å; E70-K74 WeakPolarHBondContact O-CB 3.37Å; E70-K74 WeakPolarHBondContact O-CG 3.25Å; E70-K74 PolarHBondContact O-N 2.87Å; E70-K74 WeakPolarHBondContact OE1-CE 3.43Å; E70-K74 IonicContact OE1-NZ 2.65Å; E70-K74 PolarHBondContact OE1-NZ 3.37Å; E70-K106 WeakPolarHBondContact OE2-CE 3.25Å; E70-K106 IonicContact OE2-NZ 3.19Å; E70-K106 PolarHBondContact OE2-NZ 2.94Å
71S91.4Very high90.8Very high29 Ų2917.1 Ų17.120%0.20310%0.095CC..Hα-helixtrans-65.6-39.2178.1-60.50000112.5I29 D67 V68 L69 N75I29-S71 VanDerWaalsContact CG2-OG 3.26Å; I29-S71 WeakPolarHBondContact CG2-OG 3.38Å; D67-S71 VanDerWaalsContact O-CB 3.27Å; D67-S71 WeakPolarHBondContact O-CB 3.39Å; D67-S71 PolarHBondContact O-N 2.75Å; D67-S71 PolarHBondContact O-OG 2.99Å; V68-S71 PolarHBondContact O-N 3.45Å; L69-S71 VanDerWaalsContact C-N 3.33Å; S71-N75 WeakPolarHBondContact O-CB 3.24Å; S71-N75 PolarHBondContact O-N 3.14Å; S71-N75 PolarHBondContact O-ND2 3.29Å
72L91.9Very high90.6Very high0 Ų022.7 Ų22.70%012%0.121CC..Hα-helixtrans-64.8-43.5171.6-81.8175000111.9V32 C33 V36 L50 V68 L69 N75 C76 V80V32-L72 HydrophobicContact CG1-CD1 4.1Å; V32-L72 HydrophobicContact CG1-CD2 4.16Å; V32-L72 HydrophobicContact CG1-CG 4.25Å; C33-L72 HydrophobicContact CB-CD2 4.42Å; V36-L72 HydrophobicContact CB-CD2 4.23Å; V36-L72 HydrophobicContact CG2-CD2 3.99Å; L50-L72 HydrophobicContact CD1-CD1 3.59Å; V68-L72 HydrophobicContact CG1-CD1 4.37Å; V68-L72 WeakPolarHBondContact O-CB 3.46Å; V68-L72 WeakPolarHBondContact O-CG 3.26Å; V68-L72 PolarHBondContact O-N 3.32Å; L69-L72 PolarHBondContact O-N 2.98Å; L72-N75 PolarHBondContact O-N 3.21Å; L72-C76 HydrophobicContact CD2-CB 4.39Å; L72-C76 VanDerWaalsContact O-CB 3.26Å; L72-C76 WeakPolarHBondContact O-CB 3.42Å; L72-C76 PolarHBondContact O-N 2.97Å; L72-V80 HydrophobicContact CB-CG1 4.15Å
73M89.8Confident90.5Very high0 Ų025.2 Ų25.20%013%0.132CC..Hα-helixtrans-59.7-47176.3-76.2-67.5-80.300111.2L69 E70 V80 H81 V84 W114 F118 F151L69-M73 WeakPolarHBondContact O-CB 3.34Å; L69-M73 VanDerWaalsContact O-CG 3.29Å; L69-M73 WeakPolarHBondContact O-CG 3.35Å; L69-M73 PolarHBondContact O-N 3.4Å; E70-M73 PolarHBondContact O-N 2.95Å; M73-V80 HydrophobicContact CG-CG1 4.5Å; M73-V80 HydrophobicContact SD-CG1 3.94Å; M73-H81 PolarHBondContact O-NE2 3.45Å; M73-V84 HydrophobicContact CE-CB 4.32Å; M73-V84 HydrophobicContact CE-CG1 4.03Å; M73-V84 HydrophobicContact CG-CG1 4.15Å; M73-V84 HydrophobicContact CG-CG2 4.49Å; M73-V84 HydrophobicContact SD-CB 3.55Å; M73-V84 VanDerWaalsContact SD-CB 3.55Å; M73-V84 HydrophobicContact SD-CG1 3.62Å; M73-V84 HydrophobicContact SD-CG2 3.83Å; M73-W114 HydrophobicContact CE-CD2 4.09Å; M73-W114 HydrophobicContact CE-CG 4.24Å; M73-W114 HydrophobicContact CG-CZ2 4.04Å; M73-F118 HydrophobicContact CE-CE2 3.56Å; M73-F118 HydrophobicContact CE-CZ 3.78Å; M73-F151 HydrophobicContact CB-CE1 4.14Å; M73-F151 HydrophobicContact CB-CZ 4.27Å; M73-F151 VanDerWaalsContact O-CD1 3.24Å; M73-F151 WeakPolarHBondContact O-CD1 3.44Å; M73-F151 WeakPolarHBondContact O-CE1 3.27Å
74K87.5Confident90.4Very high34 Ų3423.9 Ų23.915%0.14813%0.125CC..Hα-helixtrans-63.9-49.1177.9-74.9174.4170.8175.60112.3E70 A148 F151E70-K74 HydrophobicContact CG-CD 4.31Å; E70-K74 WeakPolarHBondContact O-CB 3.37Å; E70-K74 WeakPolarHBondContact O-CG 3.25Å; E70-K74 PolarHBondContact O-N 2.87Å; E70-K74 WeakPolarHBondContact OE1-CE 3.43Å; E70-K74 IonicContact OE1-NZ 2.65Å; E70-K74 PolarHBondContact OE1-NZ 3.37Å; K74-A148 WeakPolarHBondContact CE-O 3.45Å; K74-A148 PolarHBondContact NZ-O 2.75Å; K74-F151 HydrophobicContact CG-CD2 4.11Å; K74-F151 HydrophobicContact CG-CE2 4.28Å; K74-F151 HydrophobicContact CG-CG 4.31Å
75N85.6Confident90.3Very high38 Ų3822 Ų2220%0.20312%0.12CC..Hα-helixtrans-101.7-7.9-164.4-62.4-78.7000116.5C33 R37 S71 L72 S152C33-N75 HydrophobicContact CB-CB 4.46Å; R37-N75 WeakPolarHBondContact CD-O 3.43Å; R37-N75 PolarHBondContact NE-O 3.37Å; S71-N75 WeakPolarHBondContact O-CB 3.24Å; S71-N75 PolarHBondContact O-N 3.14Å; S71-N75 PolarHBondContact O-ND2 3.29Å; L72-N75 PolarHBondContact O-N 3.21Å; N75-S152 PolarHBondContact OD1-OG 3.42Å
76C84.6Confident90.1Very high0 Ų024.2 Ų24.20%014%0.135CC..Hα-helixtrans-116.11.8-176.6-65.50000114.7C33 V36 L72 V80 C155C33-C76 PolarHBondContact O-SG 3.46Å; V36-C76 HydrophobicContact CG1-CB 4.28Å; L72-C76 HydrophobicContact CD2-CB 4.39Å; L72-C76 VanDerWaalsContact O-CB 3.26Å; L72-C76 WeakPolarHBondContact O-CB 3.42Å; L72-C76 PolarHBondContact O-N 2.97Å; C76-V80 HydrophobicContact CB-CB 4.19Å; C76-V80 HydrophobicContact CB-CG2 3.5Å; C76-C155 VanDerWaalsContact O-CB 3.3Å; C76-C155 WeakPolarHBondContact O-CB 3.25Å; C76-C155 PolarHBondContact O-SG 2.92Å
77G83.5Confident89.9Confident12 Ų1227.7 Ų27.712%0.12416%0.156CC..  trans60.7-159.2168.400000115.9P79 V80 H81G77-P79 VanDerWaalsContact O-N 3.16Å; G77-V80 PolarHBondContact O-N 3.21Å; G77-H81 PolarHBondContact O-CD2 3.25Å; G77-H81 PolarHBondContact O-N 2.94Å; G77-H81 VanDerWaalsContact O-N 3.13Å; G77-H81 PolarHBondContact O-NE2 3.24Å
78T84.2Confident89.8Confident69 Ų6932.4 Ų32.442%0.42318%0.181SC..Hα-helixtrans-56.4-34.4-166.8790000115.9V80 H81 E82T78-V80 PolarHBondContact O-N 2.89Å; T78-H81 PolarHBondContact O-N 3.09Å; T78-E82 WeakPolarHBondContact CB-OE1 3.48Å; T78-E82 WeakPolarHBondContact O-CB 3.25Å; T78-E82 VanDerWaalsContact O-CG 3.31Å; T78-E82 WeakPolarHBondContact O-CG 3.32Å; T78-E82 PolarHBondContact O-N 3.23Å; T78-E82 PolarHBondContact OG1-OE1 2.95Å
79P86.6Confident89.7Confident38 Ų3832.7 Ų32.725%0.24718%0.183CC..Hα-helixtrans-64.5-20.5177.6-23.335.7000114.3P43 G77P43-P79 HydrophobicContact CB-CB 4.46Å; P43-P79 WeakPolarHBondContact CB-O 3.23Å; P43-P79 HydrophobicContact CG-CB 3.74Å; G77-P79 VanDerWaalsContact O-N 3.16Å
80V90.2Very high89.7Confident0 Ų032.9 Ų32.90%018%0.184CC..Hα-helixtrans-89.7-41.31681700000110.6V36 P43 L72 M73 C76 G77 T78 E82 E83 V84V36-V80 HydrophobicContact CG1-CG2 4Å; P43-V80 HydrophobicContact CB-CG2 4.01Å; L72-V80 HydrophobicContact CB-CG1 4.15Å; M73-V80 HydrophobicContact CG-CG1 4.5Å; M73-V80 HydrophobicContact SD-CG1 3.94Å; C76-V80 HydrophobicContact CB-CB 4.19Å; C76-V80 HydrophobicContact CB-CG2 3.5Å; G77-V80 PolarHBondContact O-N 3.21Å; T78-V80 PolarHBondContact O-N 2.89Å; V80-E82 VanDerWaalsContact C-N 3.26Å; V80-E82 PolarHBondContact O-N 3.49Å; V80-E83 PolarHBondContact O-N 3.16Å; V80-E83 VanDerWaalsContact O-N 3.09Å; V80-V84 HydrophobicContact CG1-CG2 3.76Å; V80-V84 WeakPolarHBondContact O-CG2 3.4Å; V80-V84 PolarHBondContact O-N 2.89Å
81H89.8Confident89.7Confident8 Ų837.9 Ų37.94%0.03721%0.207CC..Hα-helixtrans-55.9-41.1178.7-52.3165.7000111.6M73 G77 T78 E83 V84 C85 F118 Y124 F151M73-H81 PolarHBondContact O-NE2 3.45Å; G77-H81 PolarHBondContact O-CD2 3.25Å; G77-H81 PolarHBondContact O-N 2.94Å; G77-H81 VanDerWaalsContact O-N 3.13Å; G77-H81 PolarHBondContact O-NE2 3.24Å; T78-H81 PolarHBondContact O-N 3.09Å; H81-E83 VanDerWaalsContact C-N 3.34Å; H81-E83 PolarHBondContact O-N 3.04Å; H81-V84 PolarHBondContact O-N 3.38Å; H81-C85 WeakPolarHBondContact O-CB 3.35Å; H81-C85 PolarHBondContact O-N 2.79Å; H81-C85 PolarHBondContact O-SG 2.85Å; H81-F118 HydrophobicContact CB-CZ 4.19Å; H81-F118 AromaticContact CG-CZ 3.75Å; H81-F118 AromaticContact ND1-CE1 3.68Å; H81-F118 AromaticContact ND1-CZ 3.8Å; H81-Y124 HydrophobicContact CB-CE1 3.93Å; H81-Y124 HydrophobicContact CB-CE2 4.32Å; H81-F151 AromaticContact CE1-CD1 3.91Å; H81-F151 AromaticContact CE1-CE1 3.93Å; H81-F151 AromaticContact NE2-CD1 3.71Å; H81-F151 AromaticContact NE2-CE1 3.49Å; H81-F151 WeakPolarHBondContact NE2-CE1 3.32Å
82E89.3Confident89.7Confident122 Ų12238.3 Ų38.357%0.5721%0.206SC*.Hα-helixtrans-64.4-30.8178.5-71.7160.7-141.300113.8T78 V80 Y124T78-E82 WeakPolarHBondContact CB-OE1 3.48Å; T78-E82 WeakPolarHBondContact O-CB 3.25Å; T78-E82 VanDerWaalsContact O-CG 3.31Å; T78-E82 WeakPolarHBondContact O-CG 3.32Å; T78-E82 PolarHBondContact O-N 3.23Å; T78-E82 PolarHBondContact OG1-OE1 2.95Å; V80-E82 VanDerWaalsContact C-N 3.26Å; V80-E82 PolarHBondContact O-N 3.49Å; E82-Y124 HydrophobicContact CG-CE1 4.38Å
83E92.3Very high89.8Confident56 Ų5638.4 Ų38.426%0.26221%0.206SC..Hα-helixtrans-89.7-31.2178.3-68.2-80.9171.600112.3K44 V47 V80 H81K44-E83 HydrophobicContact CB-CG 4.26Å; K44-E83 WeakPolarHBondContact CB-OE1 3.48Å; K44-E83 WeakPolarHBondContact CD-OE1 3.42Å; K44-E83 WeakPolarHBondContact CG-OE1 3.31Å; K44-E83 WeakPolarHBondContact CG-OE2 3.24Å; K44-E83 IonicContact NZ-OE1 3.16Å; K44-E83 PolarHBondContact NZ-OE1 3.14Å; K44-E83 IonicContact NZ-OE2 2.61Å; K44-E83 PolarHBondContact NZ-OE2 3.02Å; V47-E83 HydrophobicContact CB-CB 4.36Å; V47-E83 HydrophobicContact CG1-CB 4.48Å; V47-E83 HydrophobicContact CG2-CB 4.05Å; V80-E83 PolarHBondContact O-N 3.16Å; V80-E83 VanDerWaalsContact O-N 3.09Å; H81-E83 VanDerWaalsContact C-N 3.34Å; H81-E83 PolarHBondContact O-N 3.04Å
84V92.6Very high89.9Confident0 Ų040.5 Ų40.50%022%0.219CC..Hα-helixtrans-83.6-40.5179.9175.50000112.3V47 L69 M73 V80 H81 S86 F89 I90 W114V47-V84 HydrophobicContact CG1-CG2 4.17Å; V47-V84 HydrophobicContact CG2-CG2 3.67Å; L69-V84 HydrophobicContact CD1-CG1 4.04Å; L69-V84 HydrophobicContact CD1-CG2 3.69Å; M73-V84 HydrophobicContact CE-CB 4.32Å; M73-V84 HydrophobicContact CE-CG1 4.03Å; M73-V84 HydrophobicContact CG-CG1 4.15Å; M73-V84 HydrophobicContact CG-CG2 4.49Å; M73-V84 HydrophobicContact SD-CB 3.55Å; M73-V84 VanDerWaalsContact SD-CB 3.55Å; M73-V84 HydrophobicContact SD-CG1 3.62Å; M73-V84 HydrophobicContact SD-CG2 3.83Å; V80-V84 HydrophobicContact CG1-CG2 3.76Å; V80-V84 WeakPolarHBondContact O-CG2 3.4Å; V80-V84 PolarHBondContact O-N 2.89Å; H81-V84 PolarHBondContact O-N 3.38Å; V84-S86 PolarHBondContact O-N 2.81Å; V84-F89 HydrophobicContact CG1-CD1 4.04Å; V84-F89 HydrophobicContact CG1-CE1 3.91Å; V84-F89 VanDerWaalsContact O-CD1 3.27Å; V84-F89 WeakPolarHBondContact O-CD1 3.45Å; V84-I90 VanDerWaalsContact O-CD1 3.31Å; V84-I90 WeakPolarHBondContact O-CD1 3.47Å; V84-W114 HydrophobicContact CG1-CH2 4.29Å; V84-W114 HydrophobicContact CG1-CZ3 4.23Å
85C90.9Very high90.1Very high8 Ų841.6 Ų41.65%0.05424%0.24CC..SBendtrans-78.910.3177.4-570000113.2H81 Y124 V127H81-C85 WeakPolarHBondContact O-CB 3.35Å; H81-C85 PolarHBondContact O-N 2.79Å; H81-C85 PolarHBondContact O-SG 2.85Å; C85-Y124 HydrophobicContact CB-CD1 3.5Å; C85-Y124 HydrophobicContact CB-CE1 4.28Å; C85-Y124 HydrophobicContact CB-CG 4.1Å; C85-V127 HydrophobicContact CB-CG2 3.75Å
86S91.3Very high90.2Very high45 Ų4540.5 Ų40.532%0.31523%0.234SC..SBendtrans-64.7137.3171.7177.60000111.1V84 D88 F89 I90V84-S86 PolarHBondContact O-N 2.81Å; S86-D88 VanDerWaalsContact C-N 3.26Å; S86-D88 PolarHBondContact O-N 2.95Å; S86-F89 WeakPolarHBondContact O-CA 3.49Å; S86-F89 WeakPolarHBondContact O-CB 3.34Å; S86-F89 PolarHBondContact O-N 2.95Å; S86-I90 PolarHBondContact O-N 3.01Å
87T90.9Very high90.5Very high74 Ų7440.8 Ų40.845%0.45424%0.236SC..Hα-helixtrans-51.4-43.5179.5-46.80000112.4F89 I90 Q91T87-F89 PolarHBondContact O-N 3.3Å; T87-I90 PolarHBondContact O-N 3.49Å; T87-Q91 HydrophobicContact CG2-CG 4.31Å; T87-Q91 WeakPolarHBondContact O-CB 3.43Å; T87-Q91 VanDerWaalsContact O-CG 3.31Å; T87-Q91 WeakPolarHBondContact O-CG 3.42Å; T87-Q91 PolarHBondContact O-N 3.14Å
88D91.7Very high90.6Very high121 Ų12147.5 Ų47.565%0.64726%0.264SS*.Hα-helixtrans-65-24.8179-59.7-17.3000113.7S86S86-D88 VanDerWaalsContact C-N 3.26Å; S86-D88 PolarHBondContact O-N 2.95Å
89F93.2Very high90.7Very high7 Ų748.1 Ų48.13%0.03127%0.268CS..Hα-helixtrans-88.1-46.5178.6-166.5-89.9000110.2V47 K51 L54 L69 V84 S86 T87 Q91 Q92 L93V47-F89 HydrophobicContact CG1-CD2 3.84Å; V47-F89 HydrophobicContact CG1-CE2 3.54Å; V47-F89 HydrophobicContact CG1-CZ 4.09Å; K51-F89 HydrophobicContact CB-CE2 4.04Å; K51-F89 HydrophobicContact CD-CD2 4.43Å; K51-F89 HydrophobicContact CG-CD2 4.42Å; K51-F89 HydrophobicContact CG-CE2 4.2Å; L54-F89 HydrophobicContact CD1-CZ 3.97Å; L69-F89 HydrophobicContact CD1-CE1 4.31Å; L69-F89 HydrophobicContact CD1-CZ 4.23Å; L69-F89 HydrophobicContact CD2-CE1 3.94Å; L69-F89 HydrophobicContact CD2-CZ 4.14Å; V84-F89 HydrophobicContact CG1-CD1 4.04Å; V84-F89 HydrophobicContact CG1-CE1 3.91Å; V84-F89 VanDerWaalsContact O-CD1 3.27Å; V84-F89 WeakPolarHBondContact O-CD1 3.45Å; S86-F89 WeakPolarHBondContact O-CA 3.49Å; S86-F89 WeakPolarHBondContact O-CB 3.34Å; S86-F89 PolarHBondContact O-N 2.95Å; T87-F89 PolarHBondContact O-N 3.3Å; F89-Q91 PolarHBondContact O-N 3.25Å; F89-Q92 WeakPolarHBondContact O-CB 3.47Å; F89-Q92 PolarHBondContact O-N 3.39Å; F89-Q92 VanDerWaalsContact O-N 3.16Å; F89-L93 HydrophobicContact CD1-CD1 3.98Å; F89-L93 HydrophobicContact CD1-CG 4.06Å; F89-L93 HydrophobicContact CE1-CD1 3.8Å; F89-L93 HydrophobicContact CE1-CD2 3.99Å; F89-L93 HydrophobicContact CE1-CG 3.93Å; F89-L93 HydrophobicContact CZ-CD2 4.45Å; F89-L93 WeakPolarHBondContact O-CG 3.43Å; F89-L93 PolarHBondContact O-N 3.41Å
90I93.6Very high90.7Very high3 Ų347.1 Ų47.12%0.01526%0.262CS..Hα-helixtrans-63.6-41.1177.5-59-56.2000111.7V84 S86 T87 Q92 L93 V94 W114 V127 A130V84-I90 VanDerWaalsContact O-CD1 3.31Å; V84-I90 WeakPolarHBondContact O-CD1 3.47Å; S86-I90 PolarHBondContact O-N 3.01Å; T87-I90 PolarHBondContact O-N 3.49Å; I90-Q92 VanDerWaalsContact C-N 3.3Å; I90-Q92 PolarHBondContact O-N 3.02Å; I90-L93 HydrophobicContact CD1-CD1 4.12Å; I90-L93 PolarHBondContact O-N 3.44Å; I90-L93 VanDerWaalsContact O-N 3.15Å; I90-V94 HydrophobicContact CG2-CG2 4.4Å; I90-V94 WeakPolarHBondContact O-CG2 3.4Å; I90-V94 PolarHBondContact O-N 3.23Å; I90-W114 HydrophobicContact CD1-CZ3 4.46Å; I90-V127 HydrophobicContact CD1-CG2 3.89Å; I90-V127 HydrophobicContact CG1-CG2 4.05Å; I90-A130 HydrophobicContact CG2-CB 3.39Å
91Q92.4Very high90.8Very high132 Ų13250.9 Ų50.962%0.61729%0.286SS*.Hα-helixtrans-61.4-37173.9-74.7-179.1-1.200112.5T87 F89 G95T87-Q91 HydrophobicContact CG2-CG 4.31Å; T87-Q91 WeakPolarHBondContact O-CB 3.43Å; T87-Q91 VanDerWaalsContact O-CG 3.31Å; T87-Q91 WeakPolarHBondContact O-CG 3.42Å; T87-Q91 PolarHBondContact O-N 3.14Å; F89-Q91 PolarHBondContact O-N 3.25Å; Q91-G95 PolarHBondContact O-N 3.26Å; Q91-G95 VanDerWaalsContact O-N 3.07Å
92Q91.8Very high90.8Very high38 Ų3855 Ų5518%0.17831%0.309CS..Hα-helixtrans-64.8-45.1172.7-179.2-176.5-23.600111.3K51 F89 I90 V94 G95 M96K51-Q92 VanDerWaalsContact CG-OE1 3.27Å; F89-Q92 WeakPolarHBondContact O-CB 3.47Å; F89-Q92 PolarHBondContact O-N 3.39Å; F89-Q92 VanDerWaalsContact O-N 3.16Å; I90-Q92 VanDerWaalsContact C-N 3.3Å; I90-Q92 PolarHBondContact O-N 3.02Å; Q92-V94 PolarHBondContact O-N 3.09Å; Q92-G95 PolarHBondContact O-N 2.97Å; Q92-M96 WeakPolarHBondContact O-CG 3.36Å; Q92-M96 PolarHBondContact O-N 2.99Å
93L93Very high90.9Very high1 Ų149.2 Ų49.21%0.00528%0.282CS..Hα-helixtrans-60.1-45.1177.8-65.6-176.4000111.4L54 F66 F89 I90 G95 M96 L107 W114L54-L93 HydrophobicContact CD1-CD2 3.98Å; F66-L93 HydrophobicContact CE1-CD2 3.95Å; F66-L93 HydrophobicContact CZ-CD2 3.94Å; F89-L93 HydrophobicContact CD1-CD1 3.98Å; F89-L93 HydrophobicContact CD1-CG 4.06Å; F89-L93 HydrophobicContact CE1-CD1 3.8Å; F89-L93 HydrophobicContact CE1-CD2 3.99Å; F89-L93 HydrophobicContact CE1-CG 3.93Å; F89-L93 HydrophobicContact CZ-CD2 4.45Å; F89-L93 WeakPolarHBondContact O-CG 3.43Å; F89-L93 PolarHBondContact O-N 3.41Å; I90-L93 HydrophobicContact CD1-CD1 4.12Å; I90-L93 PolarHBondContact O-N 3.44Å; I90-L93 VanDerWaalsContact O-N 3.15Å; L93-G95 VanDerWaalsContact C-N 3.26Å; L93-G95 PolarHBondContact O-N 2.92Å; L93-M96 HydrophobicContact CD2-SD 4.37Å; L93-M96 WeakPolarHBondContact O-CB 3.35Å; L93-M96 PolarHBondContact O-N 3.03Å; L93-L107 HydrophobicContact CB-CD1 3.8Å; L93-L107 WeakPolarHBondContact O-CD2 3.22Å; L93-W114 HydrophobicContact CD1-CH2 4.18Å; L93-W114 HydrophobicContact CD1-CZ3 3.8Å
94V92.5Very high91Very high44 Ų4450 Ų5027%0.26728%0.282SS..Hα-helixtrans-58.1-39.4175.6172.10000111.1I90 Q92 M96 V97 A130 L134I90-V94 HydrophobicContact CG2-CG2 4.4Å; I90-V94 WeakPolarHBondContact O-CG2 3.4Å; I90-V94 PolarHBondContact O-N 3.23Å; Q92-V94 PolarHBondContact O-N 3.09Å; V94-M96 PolarHBondContact O-N 3.33Å; V94-V97 VanDerWaalsContact O-CB 3.32Å; V94-V97 WeakPolarHBondContact O-CB 3.4Å; V94-V97 WeakPolarHBondContact O-CG1 3.15Å; V94-V97 PolarHBondContact O-N 3.05Å; V94-V97 VanDerWaalsContact O-N 3.12Å; V94-A130 HydrophobicContact CG2-CB 3.81Å; V94-L134 HydrophobicContact CG1-CD2 4.32Å; V94-L134 HydrophobicContact CG2-CD1 4.3Å
95G91Very high91Very high58 Ų5853.7 Ų53.760%0.59831%0.305SS*.Hα-helixtrans-63.1-15.6173.900000115.3Q91 Q92 L93Q91-G95 PolarHBondContact O-N 3.26Å; Q91-G95 VanDerWaalsContact O-N 3.07Å; Q92-G95 PolarHBondContact O-N 2.97Å; L93-G95 VanDerWaalsContact C-N 3.26Å; L93-G95 PolarHBondContact O-N 2.92Å
96M89.3Confident91Very high14 Ų1454.9 Ų54.97%0.06931%0.309CS..THydrogen-bonded Turntrans-89.4-1.7176.4-60.3170.563.900113.2L54 I62 F66 Q92 L93 V94 E98 T99L54-M96 HydrophobicContact CB-CE 3.99Å; L54-M96 HydrophobicContact CB-SD 4.14Å; L54-M96 HydrophobicContact CD2-CE 4.01Å; L54-M96 WeakPolarHBondContact O-CE 3.07Å; I62-M96 HydrophobicContact CD1-CE 4.19Å; I62-M96 HydrophobicContact CG1-CE 4.32Å; I62-M96 HydrophobicContact CG2-CE 3.47Å; I62-M96 VanDerWaalsContact CG2-CE 3.47Å; F66-M96 HydrophobicContact CE2-CE 4.15Å; Q92-M96 WeakPolarHBondContact O-CG 3.36Å; Q92-M96 PolarHBondContact O-N 2.99Å; L93-M96 HydrophobicContact CD2-SD 4.37Å; L93-M96 WeakPolarHBondContact O-CB 3.35Å; L93-M96 PolarHBondContact O-N 3.03Å; V94-M96 PolarHBondContact O-N 3.33Å; M96-E98 PolarHBondContact O-N 3.37Å; M96-E98 VanDerWaalsContact O-N 3.16Å; M96-T99 PolarHBondContact O-N 3.44Å; M96-T99 PolarHBondContact O-OG1 3.29Å
97V89.5Confident91.2Very high7 Ų752.8 Ų52.84%0.04229%0.294CS..THydrogen-bonded Turntrans-63.8-19.7-179.880.30000112.9V94 R104 L107 L134 Y139V94-V97 VanDerWaalsContact O-CB 3.32Å; V94-V97 WeakPolarHBondContact O-CB 3.4Å; V94-V97 WeakPolarHBondContact O-CG1 3.15Å; V94-V97 PolarHBondContact O-N 3.05Å; V94-V97 VanDerWaalsContact O-N 3.12Å; V97-R104 HydrophobicContact CG2-CG 3.87Å; V97-R104 VanDerWaalsContact O-CZ 3.24Å; V97-R104 PolarHBondContact O-NE 3.47Å; V97-R104 PolarHBondContact O-NH2 3.45Å; V97-L107 HydrophobicContact CB-CD2 3.9Å; V97-L107 HydrophobicContact CG2-CD2 4.19Å; V97-L134 HydrophobicContact CG1-CD2 4.39Å; V97-L134 HydrophobicContact CG2-CD2 4.22Å; V97-Y139 HydrophobicContact CG1-CE1 4.46Å; V97-Y139 HydrophobicContact CG1-CE2 4.37Å; V97-Y139 HydrophobicContact CG2-CD1 4.12Å; V97-Y139 HydrophobicContact CG2-CE1 3.78Å; V97-Y139 HydrophobicContact CG2-CE2 4.43Å
98E86.8Confident91.3Very high152 Ų15249.4 Ų49.471%0.7127%0.273SS*.THydrogen-bonded Turntrans-90.1-18.3178.7-62.8-171.4168.800113.4M96 R104M96-E98 PolarHBondContact O-N 3.37Å; M96-E98 VanDerWaalsContact O-N 3.16Å; E98-R104 PolarHBondContact O-NH2 2.69Å
99T85.7Confident91.3Very high82 Ų8246.3 Ų46.350%0.50326%0.255SS..THydrogen-bonded Turntrans-63.8-48.6-167.1-52.70000114.9I62 M96I62-T99 HydrophobicContact CD1-CG2 4.08Å; M96-T99 PolarHBondContact O-N 3.44Å; M96-T99 PolarHBondContact O-OG1 3.29Å
100S87.5Confident91.2Very high17 Ų1746 Ų4612%0.11925%0.254CS..  trans-154.1157.8175.8102.40000111D102 V103 R104S100-D102 VanDerWaalsContact C-N 3.34Å; S100-D102 PolarHBondContact O-N 3.39Å; S100-D102 PolarHBondContact OG-N 3.07Å; S100-V103 WeakPolarHBondContact OG-CB 3.47Å; S100-V103 WeakPolarHBondContact OG-CG2 3.19Å; S100-V103 PolarHBondContact OG-N 3.38Å; S100-V103 VanDerWaalsContact OG-N 3.09Å; S100-R104 WeakPolarHBondContact O-CB 3.5Å; S100-R104 PolarHBondContact O-N 3.47Å
101P90.6Very high91.2Very high79 Ų7945.9 Ų45.951%0.51325%0.253SS..Hα-helixtrans-64.9-36.4178.227-33.8000112.6T105P101-T105 WeakPolarHBondContact O-CB 3.49Å; P101-T105 PolarHBondContact O-N 2.99Å; P101-T105 PolarHBondContact O-OG1 2.9Å
102D90.8Very high91.1Very high96 Ų9640.5 Ų40.551%0.51323%0.228SC..Hα-helixtrans-72.4-44.3-179.8-40.9-72.1000110.9L63 S100 R104 T105 K106L63-D102 HydrophobicContact CD1-CB 4.06Å; L63-D102 HydrophobicContact CD2-CB 4.3Å; S100-D102 VanDerWaalsContact C-N 3.34Å; S100-D102 PolarHBondContact O-N 3.39Å; S100-D102 PolarHBondContact OG-N 3.07Å; D102-R104 VanDerWaalsContact C-N 3.34Å; D102-R104 PolarHBondContact O-N 2.94Å; D102-T105 PolarHBondContact O-N 3.43Å; D102-K106 PolarHBondContact O-N 2.99Å
103V92.4Very high91.1Very high0 Ų039 Ų390%022%0.221CC..Hα-helixtrans-61.6-43174.8169.30000110.6P59 I62 L63 F66 S100 K106 L107P59-V103 HydrophobicContact CB-CG2 4.44Å; I62-V103 HydrophobicContact CB-CG2 4.01Å; I62-V103 HydrophobicContact CG2-CB 4.35Å; I62-V103 HydrophobicContact CG2-CG1 3.73Å; I62-V103 HydrophobicContact CG2-CG2 3.62Å; L63-V103 HydrophobicContact CD2-CG2 4.11Å; L63-V103 HydrophobicContact CG-CG2 4.07Å; F66-V103 HydrophobicContact CE2-CG1 4.12Å; S100-V103 WeakPolarHBondContact OG-CB 3.47Å; S100-V103 WeakPolarHBondContact OG-CG2 3.19Å; S100-V103 PolarHBondContact OG-N 3.38Å; S100-V103 VanDerWaalsContact OG-N 3.09Å; V103-K106 PolarHBondContact O-N 2.9Å; V103-L107 WeakPolarHBondContact O-CB 3.45Å; V103-L107 PolarHBondContact O-N 3.39Å
104R93.3Very high91Very high72 Ų7239 Ų3927%0.27222%0.221SC..Hα-helixtrans-56.9-49.1172.2174.4-177.4-53.5119.819.4111.6V97 E98 S100 D102 L107 L108V97-R104 HydrophobicContact CG2-CG 3.87Å; V97-R104 VanDerWaalsContact O-CZ 3.24Å; V97-R104 PolarHBondContact O-NE 3.47Å; V97-R104 PolarHBondContact O-NH2 3.45Å; E98-R104 PolarHBondContact O-NH2 2.69Å; S100-R104 WeakPolarHBondContact O-CB 3.5Å; S100-R104 PolarHBondContact O-N 3.47Å; D102-R104 VanDerWaalsContact C-N 3.34Å; D102-R104 PolarHBondContact O-N 2.94Å; R104-L107 PolarHBondContact O-N 2.82Å; R104-L108 HydrophobicContact CG-CD1 3.74Å; R104-L108 HydrophobicContact CG-CG 4.42Å; R104-L108 WeakPolarHBondContact O-CB 3.44Å; R104-L108 WeakPolarHBondContact O-CG 3.31Å; R104-L108 PolarHBondContact O-N 3.19Å
105T92.8Very high90.9Very high78 Ų7837.3 Ų37.348%0.47921%0.212SC..Hα-helixtrans-61.9-46.6-178.7-55.40000110.9P101 D102 L108 E109 P142P101-T105 WeakPolarHBondContact O-CB 3.49Å; P101-T105 PolarHBondContact O-N 2.99Å; P101-T105 PolarHBondContact O-OG1 2.9Å; D102-T105 PolarHBondContact O-N 3.43Å; T105-L108 PolarHBondContact O-N 3.34Å; T105-E109 WeakPolarHBondContact O-CB 3.47Å; T105-E109 PolarHBondContact O-N 3.14Å; T105-P142 HydrophobicContact CG2-CG 4.13Å
106K91.7Very high90.8Very high33 Ų3338.3 Ų38.314%0.14320%0.198CC..Hα-helixtrans-66.4-37.8178.1-17257.5-177.91710112.7L63 F66 E70 D102 V103 E109 C110L63-K106 HydrophobicContact CD2-CB 3.91Å; L63-K106 HydrophobicContact CD2-CG 4.34Å; F66-K106 HydrophobicContact CB-CG 3.8Å; F66-K106 HydrophobicContact CG-CG 4.22Å; E70-K106 WeakPolarHBondContact OE2-CE 3.25Å; E70-K106 IonicContact OE2-NZ 3.19Å; E70-K106 PolarHBondContact OE2-NZ 2.94Å; D102-K106 PolarHBondContact O-N 2.99Å; V103-K106 PolarHBondContact O-N 2.9Å; K106-E109 WeakPolarHBondContact CD-OE2 3.16Å; K106-E109 IonicContact NZ-OE1 2.81Å; K106-E109 IonicContact NZ-OE2 2.68Å; K106-E109 PolarHBondContact NZ-OE2 2.95Å; K106-C110 WeakPolarHBondContact O-CB 3.43Å; K106-C110 PolarHBondContact O-N 2.95Å; K106-C110 PolarHBondContact O-SG 3.13Å
107L93.7Very high90.6Very high0 Ų039.4 Ų39.40%021%0.205CC..Hα-helixtrans-63.4-47.1174.9170.463.4000112.1F66 L93 V97 V103 R104 C110 L111F66-L107 HydrophobicContact CE1-CB 4.44Å; F66-L107 HydrophobicContact CE1-CD1 3.99Å; F66-L107 HydrophobicContact CZ-CB 4.19Å; F66-L107 HydrophobicContact CZ-CD1 4.03Å; L93-L107 HydrophobicContact CB-CD1 3.8Å; L93-L107 WeakPolarHBondContact O-CD2 3.22Å; V97-L107 HydrophobicContact CB-CD2 3.9Å; V97-L107 HydrophobicContact CG2-CD2 4.19Å; V103-L107 WeakPolarHBondContact O-CB 3.45Å; V103-L107 PolarHBondContact O-N 3.39Å; R104-L107 PolarHBondContact O-N 2.82Å; L107-C110 PolarHBondContact O-N 3.23Å; L107-L111 HydrophobicContact CD1-CD1 3.81Å; L107-L111 HydrophobicContact CD1-CG 4.03Å; L107-L111 HydrophobicContact CG-CD1 4.12Å; L107-L111 WeakPolarHBondContact O-CG 3.47Å; L107-L111 PolarHBondContact O-N 2.85Å
108L93.3Very high90.4Very high4 Ų439 Ų392%0.02120%0.203CC..Hα-helixtrans-64-42.5179.2-68.9169.3000110.8R104 T105 L111 Q112 L134 Y139 I140 F141R104-L108 HydrophobicContact CG-CD1 3.74Å; R104-L108 HydrophobicContact CG-CG 4.42Å; R104-L108 WeakPolarHBondContact O-CB 3.44Å; R104-L108 WeakPolarHBondContact O-CG 3.31Å; R104-L108 PolarHBondContact O-N 3.19Å; T105-L108 PolarHBondContact O-N 3.34Å; L108-L111 PolarHBondContact O-N 2.94Å; L108-Q112 WeakPolarHBondContact O-CB 3.21Å; L108-Q112 PolarHBondContact O-N 3.48Å; L108-L134 HydrophobicContact CD2-CB 4.31Å; L108-L134 HydrophobicContact CD2-CD1 3.96Å; L108-Y139 HydrophobicContact CD1-CD1 4.49Å; L108-I140 WeakPolarHBondContact CD1-O 3.27Å; L108-F141 HydrophobicContact CB-CD1 3.77Å; L108-F141 HydrophobicContact CB-CE1 3.82Å; L108-F141 HydrophobicContact CD2-CD1 4.1Å; L108-F141 HydrophobicContact CD2-CE1 3.49Å; L108-F141 VanDerWaalsContact CD2-CE1 3.49Å; L108-F141 HydrophobicContact CD2-CE2 4.09Å; L108-F141 HydrophobicContact CD2-CZ 3.5Å; L108-F141 VanDerWaalsContact CD2-CZ 3.5Å; L108-F141 HydrophobicContact CG-CD1 4.47Å; L108-F141 HydrophobicContact CG-CE1 4.24Å; L108-F141 WeakPolarHBondContact O-CE1 3.32Å
109E92.1Very high90.4Very high55 Ų5538.7 Ų38.726%0.25720%0.195SC..Hα-helixtrans-55.9-50.1171-169.5-156.2179.100111.8T105 K106 Q112 N113 P142T105-E109 WeakPolarHBondContact O-CB 3.47Å; T105-E109 PolarHBondContact O-N 3.14Å; K106-E109 WeakPolarHBondContact CD-OE2 3.16Å; K106-E109 IonicContact NZ-OE1 2.81Å; K106-E109 IonicContact NZ-OE2 2.68Å; K106-E109 PolarHBondContact NZ-OE2 2.95Å; E109-Q112 PolarHBondContact O-N 3.46Å; E109-N113 WeakPolarHBondContact O-CB 3.32Å; E109-N113 PolarHBondContact O-N 3.41Å; E109-N113 PolarHBondContact O-ND2 3.11Å; E109-P142 HydrophobicContact CB-CG 4.29Å
110C91.9Very high90.2Very high1 Ų139 Ų391%0.00719%0.194CC..Hα-helixtrans-59.5-50.1179.6-70.50000111.9K106 L107 Q112 N113 W114K106-C110 WeakPolarHBondContact O-CB 3.43Å; K106-C110 PolarHBondContact O-N 2.95Å; K106-C110 PolarHBondContact O-SG 3.13Å; L107-C110 PolarHBondContact O-N 3.23Å; C110-Q112 PolarHBondContact O-N 2.95Å; C110-N113 PolarHBondContact O-N 3.37Å; C110-W114 HydrophobicContact CB-CH2 3.99Å; C110-W114 HydrophobicContact CB-CZ2 3.79Å; C110-W114 HydrophobicContact CB-CZ3 4.44Å; C110-W114 WeakPolarHBondContact O-CB 3.4Å; C110-W114 PolarHBondContact O-N 2.95Å
111L92.8Very high89.8Confident0 Ų042.4 Ų42.40%021%0.207CC..Hα-helixtrans-64.6-40.4-179.1-71.7175.2000112.2L107 L108 W114 A115 V127 L134L107-L111 HydrophobicContact CD1-CD1 3.81Å; L107-L111 HydrophobicContact CD1-CG 4.03Å; L107-L111 HydrophobicContact CG-CD1 4.12Å; L107-L111 WeakPolarHBondContact O-CG 3.47Å; L107-L111 PolarHBondContact O-N 2.85Å; L108-L111 PolarHBondContact O-N 2.94Å; L111-W114 HydrophobicContact CD2-CE3 4.18Å; L111-W114 HydrophobicContact CD2-CZ3 4.34Å; L111-W114 PolarHBondContact O-N 3.25Å; L111-A115 WeakPolarHBondContact O-CB 3.44Å; L111-A115 PolarHBondContact O-N 3.13Å; L111-V127 HydrophobicContact CD2-CG1 4.3Å; L111-L134 HydrophobicContact CD1-CD1 3.55Å
112Q91.6Very high89.3Confident19 Ų1944.4 Ų44.49%0.08922%0.219CC..Hα-helixtrans-61.8-46.4175.9-179.5179.21.200111.8L108 E109 C110 Y116 Y131 F141 P142 F144L108-Q112 WeakPolarHBondContact O-CB 3.21Å; L108-Q112 PolarHBondContact O-N 3.48Å; E109-Q112 PolarHBondContact O-N 3.46Å; C110-Q112 PolarHBondContact O-N 2.95Å; Q112-Y116 PolarHBondContact O-N 3.35Å; Q112-Y116 VanDerWaalsContact O-N 3.12Å; Q112-Y131 HydrophobicContact CB-CD2 4.17Å; Q112-Y131 HydrophobicContact CB-CE2 3.85Å; Q112-Y131 HydrophobicContact CG-CE2 3.98Å; Q112-F141 HydrophobicContact CB-CD1 3.92Å; Q112-F141 HydrophobicContact CB-CE1 4.23Å; Q112-F141 HydrophobicContact CG-CD1 4.35Å; Q112-P142 PolarHBondContact NE2-O 3.49Å; Q112-P142 PolarHBondContact OE1-O 2.75Å; Q112-F144 HydrophobicContact CG-CD2 4.16Å
113N90.8Very high88.9Confident7 Ų742.9 Ų42.94%0.03723%0.227CC..Hα-helixtrans-65-42.2176.6-73.9-26000111.9E109 C110 V117 A149E109-N113 WeakPolarHBondContact O-CB 3.32Å; E109-N113 PolarHBondContact O-N 3.41Å; E109-N113 PolarHBondContact O-ND2 3.11Å; C110-N113 PolarHBondContact O-N 3.37Å; N113-V117 VanDerWaalsContact O-CG2 3.32Å; N113-V117 WeakPolarHBondContact O-CG2 3.28Å; N113-V117 PolarHBondContact O-N 2.67Å; N113-A149 HydrophobicContact CB-CB 4.46Å
114W91Very high88.7Confident1 Ų144 Ų440%0.00423%0.231CC..Hα-helixtrans-71.2-40.5179-58.9-13.6000112.4L69 M73 V84 I90 L93 C110 L111 Y116 V117 F118 V127 F151L69-W114 HydrophobicContact CD2-CH2 3.82Å; L69-W114 HydrophobicContact CD2-CZ2 4.44Å; L69-W114 HydrophobicContact CG-CH2 4.15Å; L69-W114 HydrophobicContact CG-CZ2 4.34Å; M73-W114 HydrophobicContact CE-CD2 4.09Å; M73-W114 HydrophobicContact CE-CG 4.24Å; M73-W114 HydrophobicContact CG-CZ2 4.04Å; V84-W114 HydrophobicContact CG1-CH2 4.29Å; V84-W114 HydrophobicContact CG1-CZ3 4.23Å; I90-W114 HydrophobicContact CD1-CZ3 4.46Å; L93-W114 HydrophobicContact CD1-CH2 4.18Å; L93-W114 HydrophobicContact CD1-CZ3 3.8Å; C110-W114 HydrophobicContact CB-CH2 3.99Å; C110-W114 HydrophobicContact CB-CZ2 3.79Å; C110-W114 HydrophobicContact CB-CZ3 4.44Å; C110-W114 WeakPolarHBondContact O-CB 3.4Å; C110-W114 PolarHBondContact O-N 2.95Å; L111-W114 HydrophobicContact CD2-CE3 4.18Å; L111-W114 HydrophobicContact CD2-CZ3 4.34Å; L111-W114 PolarHBondContact O-N 3.25Å; W114-Y116 VanDerWaalsContact C-N 3.32Å; W114-Y116 PolarHBondContact O-N 3.41Å; W114-V117 PolarHBondContact O-N 2.91Å; W114-F118 HydrophobicContact CB-CD2 4.03Å; W114-F118 HydrophobicContact CB-CE2 4Å; W114-F118 HydrophobicContact CG-CE2 4.44Å; W114-F118 WeakPolarHBondContact O-CB 3.46Å; W114-F118 WeakPolarHBondContact O-CD2 3.32Å; W114-F118 WeakPolarHBondContact O-CG 3.21Å; W114-F118 PolarHBondContact O-N 3.12Å; W114-V127 HydrophobicContact CB-CG1 3.72Å; W114-V127 HydrophobicContact CE3-CG1 4.49Å; W114-F151 AromaticContact CD1-CZ 3.77Å
115A90.4Very high88.5Confident8 Ų843.6 Ų43.67%0.06624%0.236CC..Hα-helixtrans-60.5-41.8175.700000111.4L111 V117 F118 R119 Y131L111-A115 WeakPolarHBondContact O-CB 3.44Å; L111-A115 PolarHBondContact O-N 3.13Å; A115-V117 PolarHBondContact O-N 3.49Å; A115-F118 PolarHBondContact O-N 3.48Å; A115-R119 WeakPolarHBondContact O-CB 3.4Å; A115-R119 PolarHBondContact O-N 3.02Å; A115-Y131 HydrophobicContact CB-CD1 3.97Å; A115-Y131 HydrophobicContact CB-CD2 4.49Å; A115-Y131 HydrophobicContact CB-CG 3.83Å
116Y88.3Confident88.5Confident80 Ų8040.9 Ų40.931%0.31422%0.222SC..Hα-helixtrans-59.2-46.4173.7-176.7-86000112.4Q112 W114 R119 F144 A149Q112-Y116 PolarHBondContact O-N 3.35Å; Q112-Y116 VanDerWaalsContact O-N 3.12Å; W114-Y116 VanDerWaalsContact C-N 3.32Å; W114-Y116 PolarHBondContact O-N 3.41Å; Y116-R119 WeakPolarHBondContact O-CD 3.48Å; Y116-R119 WeakPolarHBondContact O-CG 3.32Å; Y116-R119 PolarHBondContact OH-NH1 2.83Å; Y116-F144 AromaticContact CD1-CZ 3.83Å; Y116-F144 HydrophobicContact CD1-CZ 3.83Å; Y116-F144 AromaticContact CD2-CE1 3.85Å; Y116-F144 HydrophobicContact CD2-CE1 3.85Å; Y116-F144 HydrophobicContact CD2-CE2 4.01Å; Y116-F144 AromaticContact CD2-CZ 3.36Å; Y116-F144 HydrophobicContact CD2-CZ 3.36Å; Y116-F144 HydrophobicContact CE1-CZ 4.11Å; Y116-F144 AromaticContact CE2-CE1 3.74Å; Y116-F144 HydrophobicContact CE2-CE1 3.74Å; Y116-F144 AromaticContact CE2-CZ 3.65Å; Y116-F144 HydrophobicContact CE2-CZ 3.65Å; Y116-F144 HydrophobicContact CG-CE1 4.38Å; Y116-F144 AromaticContact CG-CE2 3.91Å; Y116-F144 HydrophobicContact CG-CE2 3.91Å; Y116-F144 AromaticContact CG-CZ 3.46Å; Y116-F144 HydrophobicContact CG-CZ 3.46Å; Y116-F144 VanDerWaalsContact CG-CZ 3.46Å; Y116-A149 HydrophobicContact CD1-CB 3.97Å
117V86Confident88.5Confident36 Ų3639.3 Ų39.322%0.21822%0.215CC..Hα-helixtrans-73.1-27.1-176.6171.30000113.4N113 W114 A115 A149 F151N113-V117 VanDerWaalsContact O-CG2 3.32Å; N113-V117 WeakPolarHBondContact O-CG2 3.28Å; N113-V117 PolarHBondContact O-N 2.67Å; W114-V117 PolarHBondContact O-N 2.91Å; A115-V117 PolarHBondContact O-N 3.49Å; V117-A149 HydrophobicContact CG2-CB 4.1Å; V117-A149 WeakPolarHBondContact CG2-O 3.2Å; V117-F151 HydrophobicContact CB-CD2 4.28Å; V117-F151 HydrophobicContact CB-CE2 4.03Å; V117-F151 HydrophobicContact CB-CZ 4.48Å; V117-F151 HydrophobicContact CG1-CD1 4.31Å; V117-F151 HydrophobicContact CG1-CD2 3.84Å; V117-F151 HydrophobicContact CG1-CE1 4.34Å; V117-F151 HydrophobicContact CG1-CE2 3.89Å; V117-F151 HydrophobicContact CG1-CG 4.06Å; V117-F151 HydrophobicContact CG1-CZ 4.13Å; V117-F151 HydrophobicContact CG2-CD2 3.74Å; V117-F151 HydrophobicContact CG2-CE2 3.7Å
118F86.1Confident88.4Confident0 Ų040.9 Ų40.90%022%0.223CC..Hα-helixtrans-104.5-0.1-177.2-58.7-45.8000114.6M73 H81 W114 A115 D120 K121 Y124 F151M73-F118 HydrophobicContact CE-CE2 3.56Å; M73-F118 HydrophobicContact CE-CZ 3.78Å; H81-F118 HydrophobicContact CB-CZ 4.19Å; H81-F118 AromaticContact CG-CZ 3.75Å; H81-F118 AromaticContact ND1-CE1 3.68Å; H81-F118 AromaticContact ND1-CZ 3.8Å; W114-F118 HydrophobicContact CB-CD2 4.03Å; W114-F118 HydrophobicContact CB-CE2 4Å; W114-F118 HydrophobicContact CG-CE2 4.44Å; W114-F118 WeakPolarHBondContact O-CB 3.46Å; W114-F118 WeakPolarHBondContact O-CD2 3.32Å; W114-F118 WeakPolarHBondContact O-CG 3.21Å; W114-F118 PolarHBondContact O-N 3.12Å; A115-F118 PolarHBondContact O-N 3.48Å; F118-D120 PolarHBondContact O-N 3.4Å; F118-K121 HydrophobicContact CD1-CD 4.1Å; F118-K121 PolarHBondContact O-N 2.74Å; F118-Y124 HydrophobicContact CB-CD2 4.01Å; F118-Y124 HydrophobicContact CB-CG 4.45Å; F118-Y124 AromaticContact CD1-CD2 3.46Å; F118-Y124 HydrophobicContact CD1-CD2 3.46Å; F118-Y124 VanDerWaalsContact CD1-CD2 3.46Å; F118-Y124 AromaticContact CD1-CE2 3.87Å; F118-Y124 HydrophobicContact CD1-CE2 3.87Å; F118-Y124 HydrophobicContact CD1-CG 4.38Å; F118-Y124 HydrophobicContact CD2-CD2 4.34Å; F118-Y124 AromaticContact CE1-CD2 3.94Å; F118-Y124 HydrophobicContact CE1-CD2 3.94Å; F118-Y124 AromaticContact CE1-CE2 3.95Å; F118-Y124 HydrophobicContact CE1-CE2 3.95Å; F118-Y124 AromaticContact CG-CD2 3.68Å; F118-Y124 HydrophobicContact CG-CD2 3.68Å; F118-Y124 HydrophobicContact CG-CG 4.22Å; F118-F151 HydrophobicContact CE1-CE1 4.48Å; F118-F151 HydrophobicContact CE2-CZ 4.48Å; F118-F151 AromaticContact CZ-CE1 3.89Å; F118-F151 HydrophobicContact CZ-CE1 3.89Å; F118-F151 HydrophobicContact CZ-CZ 4.14Å
119R84.9Confident88.4Confident145 Ų14544.5 Ų44.555%0.54724%0.242SC..THydrogen-bonded Turntrans-47.4-34.5178.777.2-171.4-171.8-156.41.1114.8A115 Y116A115-R119 WeakPolarHBondContact O-CB 3.4Å; A115-R119 PolarHBondContact O-N 3.02Å; Y116-R119 WeakPolarHBondContact O-CD 3.48Å; Y116-R119 WeakPolarHBondContact O-CG 3.32Å; Y116-R119 PolarHBondContact OH-NH1 2.83Å
120D81.4Confident88.5Confident87 Ų8742.3 Ų42.347%0.46523%0.234SC..THydrogen-bonded Turntrans-97.38.7-177.8-68.8-65.3000113.1F118 K395F118-D120 PolarHBondContact O-N 3.4Å; D120-K395 IonicContact OD1-NZ 2.85Å; D120-K395 PolarHBondContact OD1-NZ 2.96Å
121K81Confident88.5Confident90 Ų9044.5 Ų44.539%0.39124%0.242SC..  trans-122.3101.9-176.8-64-175.1-164.8158.80111.7F118 G123 Y124F118-K121 HydrophobicContact CD1-CD 4.1Å; F118-K121 PolarHBondContact O-N 2.74Å; K121-G123 PolarHBondContact O-N 2.95Å; K121-Y124 HydrophobicContact CB-CD2 3.9Å; K121-Y124 HydrophobicContact CB-CE2 4.31Å; K121-Y124 HydrophobicContact CD-CD2 4.08Å; K121-Y124 HydrophobicContact CD-CE2 3.82Å; K121-Y124 PolarHBondContact O-N 3.2Å
122P80Confident88.5Confident120 Ų12049.4 Ų49.478%0.77927%0.265SS*.G310 helixtrans-68.1-2.4-176.128.3-36.2000115Y124 V125P122-Y124 VanDerWaalsContact C-N 3.33Å; P122-V125 WeakPolarHBondContact O-CG2 3.49Å
123G81.4Confident88.5Confident65 Ų6553.4 Ų53.467%0.6729%0.287SS*.G310 helixtrans-77.9-11.3173.800000114.9K121K121-G123 PolarHBondContact O-N 2.95Å
124Y88Confident88.6Confident23 Ų2353.4 Ų53.49%0.0929%0.287CS..G310 helixtrans-124.323.6-171.3-52.5-50.5000113.5H81 E82 C85 F118 K121 P122 A126 V127H81-Y124 HydrophobicContact CB-CE1 3.93Å; H81-Y124 HydrophobicContact CB-CE2 4.32Å; E82-Y124 HydrophobicContact CG-CE1 4.38Å; C85-Y124 HydrophobicContact CB-CD1 3.5Å; C85-Y124 HydrophobicContact CB-CE1 4.28Å; C85-Y124 HydrophobicContact CB-CG 4.1Å; F118-Y124 HydrophobicContact CB-CD2 4.01Å; F118-Y124 HydrophobicContact CB-CG 4.45Å; F118-Y124 AromaticContact CD1-CD2 3.46Å; F118-Y124 HydrophobicContact CD1-CD2 3.46Å; F118-Y124 VanDerWaalsContact CD1-CD2 3.46Å; F118-Y124 AromaticContact CD1-CE2 3.87Å; F118-Y124 HydrophobicContact CD1-CE2 3.87Å; F118-Y124 HydrophobicContact CD1-CG 4.38Å; F118-Y124 HydrophobicContact CD2-CD2 4.34Å; F118-Y124 AromaticContact CE1-CD2 3.94Å; F118-Y124 HydrophobicContact CE1-CD2 3.94Å; F118-Y124 AromaticContact CE1-CE2 3.95Å; F118-Y124 HydrophobicContact CE1-CE2 3.95Å; F118-Y124 AromaticContact CG-CD2 3.68Å; F118-Y124 HydrophobicContact CG-CD2 3.68Å; F118-Y124 HydrophobicContact CG-CG 4.22Å; K121-Y124 HydrophobicContact CB-CD2 3.9Å; K121-Y124 HydrophobicContact CB-CE2 4.31Å; K121-Y124 HydrophobicContact CD-CD2 4.08Å; K121-Y124 HydrophobicContact CD-CE2 3.82Å; K121-Y124 PolarHBondContact O-N 3.2Å; P122-Y124 VanDerWaalsContact C-N 3.33Å; Y124-A126 PolarHBondContact O-N 3.17Å; Y124-A126 VanDerWaalsContact O-N 3.13Å; Y124-V127 WeakPolarHBondContact O-CB 3.35Å; Y124-V127 PolarHBondContact O-N 3.37Å
125V90.3Very high88.6Confident64 Ų6459 Ų5939%0.38831%0.312SS..Hα-helixtrans-52.2-36.5-175.8171.80000113P122 V127 I128 D129P122-V125 WeakPolarHBondContact O-CG2 3.49Å; V125-V127 PolarHBondContact O-N 3.4Å; V125-I128 WeakPolarHBondContact O-CA 3.2Å; V125-I128 WeakPolarHBondContact O-CB 3.48Å; V125-I128 PolarHBondContact O-N 3.37Å; V125-D129 VanDerWaalsContact CG1-OD1 3.32Å; V125-D129 WeakPolarHBondContact CG1-OD1 3.39Å; V125-D129 PolarHBondContact O-N 2.79Å
126A91.9Very high88.7Confident21 Ų2164.9 Ų64.917%0.17434%0.342CS..Hα-helixtrans-54.4-28.2176.900000114.6Y124 A130Y124-A126 PolarHBondContact O-N 3.17Å; Y124-A126 VanDerWaalsContact O-N 3.13Å; A126-A130 VanDerWaalsContact O-CB 3.27Å; A126-A130 WeakPolarHBondContact O-CB 3.49Å; A126-A130 PolarHBondContact O-N 3.26Å; A126-A130 VanDerWaalsContact O-N 3.14Å
127V92Very high88.9Confident0 Ų064.5 Ų64.50%036%0.355CS..Hα-helixtrans-75-40174.6-176.50000111.5C85 I90 L111 W114 Y124 V125 A130 Y131C85-V127 HydrophobicContact CB-CG2 3.75Å; I90-V127 HydrophobicContact CD1-CG2 3.89Å; I90-V127 HydrophobicContact CG1-CG2 4.05Å; L111-V127 HydrophobicContact CD2-CG1 4.3Å; W114-V127 HydrophobicContact CB-CG1 3.72Å; W114-V127 HydrophobicContact CE3-CG1 4.49Å; Y124-V127 WeakPolarHBondContact O-CB 3.35Å; Y124-V127 PolarHBondContact O-N 3.37Å; V125-V127 PolarHBondContact O-N 3.4Å; V127-A130 PolarHBondContact O-N 3.34Å; V127-Y131 WeakPolarHBondContact O-CB 3.46Å; V127-Y131 PolarHBondContact O-N 2.9Å
128I91.6Very high89.1Confident33 Ų3365.5 Ų65.517%0.16937%0.373CS..Hα-helixtrans-67.5-49.7178.8-54173.8000108.7V125 A130 Y131 E132V125-I128 WeakPolarHBondContact O-CA 3.2Å; V125-I128 WeakPolarHBondContact O-CB 3.48Å; V125-I128 PolarHBondContact O-N 3.37Å; I128-A130 VanDerWaalsContact C-N 3.29Å; I128-A130 PolarHBondContact O-N 3.49Å; I128-Y131 PolarHBondContact O-N 3.44Å; I128-E132 PolarHBondContact O-N 2.83Å
129D93.1Very high89.3Confident79 Ų7968.8 Ų68.842%0.42239%0.386SS..Hα-helixtrans-54.1-44.8174.2-64-9.1000111.3V125 E132 N133V125-D129 VanDerWaalsContact CG1-OD1 3.32Å; V125-D129 WeakPolarHBondContact CG1-OD1 3.39Å; V125-D129 PolarHBondContact O-N 2.79Å; D129-E132 PolarHBondContact O-N 3.45Å; D129-N133 VanDerWaalsContact O-CB 3.22Å; D129-N133 WeakPolarHBondContact O-CB 3.01Å; D129-N133 VanDerWaalsContact O-CG 3.25Å; D129-N133 PolarHBondContact O-N 2.87Å; D129-N133 PolarHBondContact O-ND2 3.02Å
130A93Very high89.5Confident10 Ų1069.3 Ų69.38%0.08340%0.398CS..Hα-helixtrans-66.2-41.8179.300000112.8I90 V94 A126 V127 I128 L134I90-A130 HydrophobicContact CG2-CB 3.39Å; V94-A130 HydrophobicContact CG2-CB 3.81Å; A126-A130 VanDerWaalsContact O-CB 3.27Å; A126-A130 WeakPolarHBondContact O-CB 3.49Å; A126-A130 PolarHBondContact O-N 3.26Å; A126-A130 VanDerWaalsContact O-N 3.14Å; V127-A130 PolarHBondContact O-N 3.34Å; I128-A130 VanDerWaalsContact C-N 3.29Å; I128-A130 PolarHBondContact O-N 3.49Å; A130-L134 WeakPolarHBondContact O-CB 3.32Å; A130-L134 WeakPolarHBondContact O-CG 3.39Å; A130-L134 PolarHBondContact O-N 3.12Å
131Y92.8Very high89.9Confident47 Ų4766.9 Ų66.918%0.18438%0.383CS..Hα-helixtrans-62.3-47.7174.6169.6-102.6000111.6Q112 A115 V127 I128 L134 K135 F141Q112-Y131 HydrophobicContact CB-CD2 4.17Å; Q112-Y131 HydrophobicContact CB-CE2 3.85Å; Q112-Y131 HydrophobicContact CG-CE2 3.98Å; A115-Y131 HydrophobicContact CB-CD1 3.97Å; A115-Y131 HydrophobicContact CB-CD2 4.49Å; A115-Y131 HydrophobicContact CB-CG 3.83Å; V127-Y131 WeakPolarHBondContact O-CB 3.46Å; V127-Y131 PolarHBondContact O-N 2.9Å; I128-Y131 PolarHBondContact O-N 3.44Å; Y131-L134 PolarHBondContact O-N 3.45Å; Y131-K135 HydrophobicContact CE1-CD 4.37Å; Y131-K135 WeakPolarHBondContact O-CB 3.12Å; Y131-K135 PolarHBondContact O-N 3.19Å; Y131-F141 HydrophobicContact CD2-CD1 4.17Å; Y131-F141 AromaticContact CD2-CE1 3.41Å; Y131-F141 HydrophobicContact CD2-CE1 3.41Å; Y131-F141 VanDerWaalsContact CD2-CE1 3.41Å; Y131-F141 HydrophobicContact CD2-CE2 4.34Å; Y131-F141 AromaticContact CD2-CZ 3.5Å; Y131-F141 HydrophobicContact CD2-CZ 3.5Å; Y131-F141 AromaticContact CE2-CD1 3.74Å; Y131-F141 HydrophobicContact CE2-CD1 3.74Å; Y131-F141 HydrophobicContact CE2-CD2 4.34Å; Y131-F141 AromaticContact CE2-CE1 3.45Å; Y131-F141 HydrophobicContact CE2-CE1 3.45Å; Y131-F141 VanDerWaalsContact CE2-CE1 3.45Å; Y131-F141 HydrophobicContact CE2-CE2 4.1Å; Y131-F141 HydrophobicContact CE2-CG 4.16Å; Y131-F141 AromaticContact CE2-CZ 3.63Å; Y131-F141 HydrophobicContact CE2-CZ 3.63Å
132E92.3Very high90.2Very high102 Ų10264.6 Ų64.648%0.47738%0.378SS..Hα-helixtrans-66.9-41179.1-70.2-171.5-176.700112.3I128 D129 K135 N136I128-E132 PolarHBondContact O-N 2.83Å; D129-E132 PolarHBondContact O-N 3.45Å; E132-K135 PolarHBondContact O-N 3.12Å; E132-N136 WeakPolarHBondContact O-CB 3.42Å; E132-N136 PolarHBondContact O-N 3.41Å; E132-N136 PolarHBondContact O-ND2 3.03Å; E132-N136 VanDerWaalsContact O-ND2 3.17Å
133N93.3Very high90.4Very high103 Ų10368.2 Ų68.255%0.55138%0.384SS*.Hα-helixtrans-64.1-41.4176.2-78-55.6000112.4D129 N136 A137D129-N133 VanDerWaalsContact O-CB 3.22Å; D129-N133 WeakPolarHBondContact O-CB 3.01Å; D129-N133 VanDerWaalsContact O-CG 3.25Å; D129-N133 PolarHBondContact O-N 2.87Å; D129-N133 PolarHBondContact O-ND2 3.02Å; N133-N136 PolarHBondContact O-N 3.04Å; N133-A137 WeakPolarHBondContact O-CB 3.39Å; N133-A137 PolarHBondContact O-N 2.88Å
134L92.5Very high90.5Very high8 Ų868.8 Ų68.84%0.04237%0.368CS..Hα-helixtrans-66.3-37.7174.9-74.7171000112.1V94 V97 L108 L111 A130 Y131 A137 G138 Y139 F141V94-L134 HydrophobicContact CG1-CD2 4.32Å; V94-L134 HydrophobicContact CG2-CD1 4.3Å; V97-L134 HydrophobicContact CG1-CD2 4.39Å; V97-L134 HydrophobicContact CG2-CD2 4.22Å; L108-L134 HydrophobicContact CD2-CB 4.31Å; L108-L134 HydrophobicContact CD2-CD1 3.96Å; L111-L134 HydrophobicContact CD1-CD1 3.55Å; A130-L134 WeakPolarHBondContact O-CB 3.32Å; A130-L134 WeakPolarHBondContact O-CG 3.39Å; A130-L134 PolarHBondContact O-N 3.12Å; Y131-L134 PolarHBondContact O-N 3.45Å; L134-A137 PolarHBondContact O-N 3Å; L134-G138 PolarHBondContact O-N 2.91Å; L134-Y139 HydrophobicContact CB-CD2 4.27Å; L134-Y139 HydrophobicContact CD2-CD2 3.57Å; L134-Y139 HydrophobicContact CD2-CE2 3.69Å; L134-Y139 HydrophobicContact CD2-CG 4.39Å; L134-Y139 WeakPolarHBondContact O-CD2 3.26Å; L134-Y139 PolarHBondContact O-N 3.45Å; L134-Y139 VanDerWaalsContact O-N 3.17Å; L134-F141 HydrophobicContact CB-CE2 4.43Å; L134-F141 HydrophobicContact CB-CZ 4.06Å
135K91.1Very high90.1Very high118 Ų11870.1 Ų70.151%0.51338%0.381SS..Hα-helixtrans-64.8-42.8174.2-173177.6179.4178.90112Y131 E132 A137 G138 F141Y131-K135 HydrophobicContact CE1-CD 4.37Å; Y131-K135 WeakPolarHBondContact O-CB 3.12Å; Y131-K135 PolarHBondContact O-N 3.19Å; E132-K135 PolarHBondContact O-N 3.12Å; K135-A137 VanDerWaalsContact C-N 3.31Å; K135-A137 PolarHBondContact O-N 3.38Å; K135-G138 PolarHBondContact O-N 3.05Å; K135-G138 VanDerWaalsContact O-N 3.12Å; K135-F141 HydrophobicContact CB-CE2 3.86Å; K135-F141 HydrophobicContact CG-CE2 4.49Å
136N92.3Very high89.5Confident132 Ų13273.4 Ų73.471%0.70639%0.392SS*.Hα-helixtrans-69.5-27.5176.2-67.5-23.7000112.5E132 N133 G138E132-N136 WeakPolarHBondContact O-CB 3.42Å; E132-N136 PolarHBondContact O-N 3.41Å; E132-N136 PolarHBondContact O-ND2 3.03Å; E132-N136 VanDerWaalsContact O-ND2 3.17Å; N133-N136 PolarHBondContact O-N 3.04Å; N136-G138 PolarHBondContact O-N 3.27Å
137A91.8Very high88.8Confident71 Ų7176.8 Ų76.859%0.58741%0.414SS*.THydrogen-bonded Turntrans-76-2.5171.200000113.9N133 L134 K135 Y139N133-A137 WeakPolarHBondContact O-CB 3.39Å; N133-A137 PolarHBondContact O-N 2.88Å; L134-A137 PolarHBondContact O-N 3Å; K135-A137 VanDerWaalsContact C-N 3.31Å; K135-A137 PolarHBondContact O-N 3.38Å; A137-Y139 HydrophobicContact CB-CD2 4.08Å; A137-Y139 HydrophobicContact CB-CE2 4.21Å
138G89.6Confident88Confident58 Ų5877.8 Ų77.860%0.59842%0.423SS*.THydrogen-bonded Turntrans87.613.7174.400000115.6L134 K135 N136 I140L134-G138 PolarHBondContact O-N 2.91Å; K135-G138 PolarHBondContact O-N 3.05Å; K135-G138 VanDerWaalsContact O-N 3.12Å; N136-G138 PolarHBondContact O-N 3.27Å; G138-I140 PolarHBondContact O-N 3.22Å
139Y90.7Very high87.1Confident68 Ų6876.5 Ų76.527%0.26742%0.417SS..PPolyproline II helixtrans-68.3130.3174.1-74.9-79.9000111.4V97 L108 L134 A137 F141V97-Y139 HydrophobicContact CG1-CE1 4.46Å; V97-Y139 HydrophobicContact CG1-CE2 4.37Å; V97-Y139 HydrophobicContact CG2-CD1 4.12Å; V97-Y139 HydrophobicContact CG2-CE1 3.78Å; V97-Y139 HydrophobicContact CG2-CE2 4.43Å; L108-Y139 HydrophobicContact CD1-CD1 4.49Å; L134-Y139 HydrophobicContact CB-CD2 4.27Å; L134-Y139 HydrophobicContact CD2-CD2 3.57Å; L134-Y139 HydrophobicContact CD2-CE2 3.69Å; L134-Y139 HydrophobicContact CD2-CG 4.39Å; L134-Y139 WeakPolarHBondContact O-CD2 3.26Å; L134-Y139 PolarHBondContact O-N 3.45Å; L134-Y139 VanDerWaalsContact O-N 3.17Å; A137-Y139 HydrophobicContact CB-CD2 4.08Å; A137-Y139 HydrophobicContact CB-CE2 4.21Å; Y139-F141 WeakPolarHBondContact O-CD2 3.36Å; Y139-F141 PolarHBondContact O-N 3.28Å
140I89.6Confident85.9Confident156 Ų15679.4 Ų79.480%0.843%0.43SS*.PPolyproline II helixtrans-77.9121.1176.8-56.6176.1000108.8L108 G138L108-I140 WeakPolarHBondContact CD1-O 3.27Å; G138-I140 PolarHBondContact O-N 3.22Å
141F89.5Confident84.8Confident37 Ų3781.4 Ų81.416%0.16244%0.437CS..PPolyproline II helixtrans-90.2147.4177.6-79.4-91.2000112L108 Q112 Y131 L134 K135 Y139L108-F141 HydrophobicContact CB-CD1 3.77Å; L108-F141 HydrophobicContact CB-CE1 3.82Å; L108-F141 HydrophobicContact CD2-CD1 4.1Å; L108-F141 HydrophobicContact CD2-CE1 3.49Å; L108-F141 VanDerWaalsContact CD2-CE1 3.49Å; L108-F141 HydrophobicContact CD2-CE2 4.09Å; L108-F141 HydrophobicContact CD2-CZ 3.5Å; L108-F141 VanDerWaalsContact CD2-CZ 3.5Å; L108-F141 HydrophobicContact CG-CD1 4.47Å; L108-F141 HydrophobicContact CG-CE1 4.24Å; L108-F141 WeakPolarHBondContact O-CE1 3.32Å; Q112-F141 HydrophobicContact CB-CD1 3.92Å; Q112-F141 HydrophobicContact CB-CE1 4.23Å; Q112-F141 HydrophobicContact CG-CD1 4.35Å; Y131-F141 HydrophobicContact CD2-CD1 4.17Å; Y131-F141 AromaticContact CD2-CE1 3.41Å; Y131-F141 HydrophobicContact CD2-CE1 3.41Å; Y131-F141 VanDerWaalsContact CD2-CE1 3.41Å; Y131-F141 HydrophobicContact CD2-CE2 4.34Å; Y131-F141 AromaticContact CD2-CZ 3.5Å; Y131-F141 HydrophobicContact CD2-CZ 3.5Å; Y131-F141 AromaticContact CE2-CD1 3.74Å; Y131-F141 HydrophobicContact CE2-CD1 3.74Å; Y131-F141 HydrophobicContact CE2-CD2 4.34Å; Y131-F141 AromaticContact CE2-CE1 3.45Å; Y131-F141 HydrophobicContact CE2-CE1 3.45Å; Y131-F141 VanDerWaalsContact CE2-CE1 3.45Å; Y131-F141 HydrophobicContact CE2-CE2 4.1Å; Y131-F141 HydrophobicContact CE2-CG 4.16Å; Y131-F141 AromaticContact CE2-CZ 3.63Å; Y131-F141 HydrophobicContact CE2-CZ 3.63Å; L134-F141 HydrophobicContact CB-CE2 4.43Å; L134-F141 HydrophobicContact CB-CZ 4.06Å; K135-F141 HydrophobicContact CB-CE2 3.86Å; K135-F141 HydrophobicContact CG-CE2 4.49Å; Y139-F141 WeakPolarHBondContact O-CD2 3.36Å; Y139-F141 PolarHBondContact O-N 3.28Å
142P87.2Confident83Confident42 Ų4281.8 Ų81.827%0.27345%0.446SS..PPolyproline II helixtrans-58.9164.7171.1-25.636000114.3T105 E109 Q112 F144T105-P142 HydrophobicContact CG2-CG 4.13Å; E109-P142 HydrophobicContact CB-CG 4.29Å; Q112-P142 PolarHBondContact NE2-O 3.49Å; Q112-P142 PolarHBondContact OE1-O 2.75Å; P142-F144 PolarHBondContact O-N 3.32Å
143E84.4Confident81.5Confident195 Ų19580.9 Ų80.991%0.91145%0.447SS*.PPolyproline II helixtrans-60.4128172.2-173.3174.8-178.300110.3
144F84.1Confident79.9Confident77 Ų7781 Ų8134%0.33845%0.451SS..PPolyproline II helixtrans-75.9129.1-177.6179.3-107.4000111.6Q112 Y116 P142 E146 A149Q112-F144 HydrophobicContact CG-CD2 4.16Å; Y116-F144 AromaticContact CD1-CZ 3.83Å; Y116-F144 HydrophobicContact CD1-CZ 3.83Å; Y116-F144 AromaticContact CD2-CE1 3.85Å; Y116-F144 HydrophobicContact CD2-CE1 3.85Å; Y116-F144 HydrophobicContact CD2-CE2 4.01Å; Y116-F144 AromaticContact CD2-CZ 3.36Å; Y116-F144 HydrophobicContact CD2-CZ 3.36Å; Y116-F144 HydrophobicContact CE1-CZ 4.11Å; Y116-F144 AromaticContact CE2-CE1 3.74Å; Y116-F144 HydrophobicContact CE2-CE1 3.74Å; Y116-F144 AromaticContact CE2-CZ 3.65Å; Y116-F144 HydrophobicContact CE2-CZ 3.65Å; Y116-F144 HydrophobicContact CG-CE1 4.38Å; Y116-F144 AromaticContact CG-CE2 3.91Å; Y116-F144 HydrophobicContact CG-CE2 3.91Å; Y116-F144 AromaticContact CG-CZ 3.46Å; Y116-F144 HydrophobicContact CG-CZ 3.46Å; Y116-F144 VanDerWaalsContact CG-CZ 3.46Å; P142-F144 PolarHBondContact O-N 3.32Å; F144-E146 HydrophobicContact CE1-CB 4.16Å; F144-A149 HydrophobicContact CE2-CB 3.96Å; F144-A149 HydrophobicContact CZ-CB 3.91Å
145S78.8Confident78.5Confident52 Ų5281.8 Ų81.836%0.36446%0.458SS..  trans-121119.8170.5-178.30000111.4S147 A148 A149S145-S147 PolarHBondContact O-N 3.5Å; S145-S147 PolarHBondContact OG-OG 2.95Å; S145-A148 WeakPolarHBondContact O-CB 3.34Å; S145-A148 PolarHBondContact O-N 2.98Å; S145-A149 PolarHBondContact O-N 3.39Å; S145-A149 VanDerWaalsContact O-N 3.13Å
146E77.7Confident77.5Confident133 Ų13376.4 Ų76.462%0.62144%0.435SS*.THydrogen-bonded Turntrans-61-29.3176.8-170.3175.7178.100112.4F144 A149 M150F144-E146 HydrophobicContact CE1-CB 4.16Å; E146-A149 CarbonylContact O-C 3.55Å; E146-A149 PolarHBondContact O-N 3.44Å; E146-M150 PolarHBondContact O-N 3.28Å
147S77Confident76.8Confident91 Ų9172 Ų7264%0.63641%0.414SS*.THydrogen-bonded Turntrans-71.9-31174.264.80000112.8S145 A149 M150S145-S147 PolarHBondContact O-N 3.5Å; S145-S147 PolarHBondContact OG-OG 2.95Å; S147-A149 VanDerWaalsContact C-N 3.31Å; S147-M150 WeakPolarHBondContact O-CB 3.45Å; S147-M150 PolarHBondContact O-N 2.98Å
148A74.7Confident76.1Confident22 Ų2272.4 Ų72.418%0.18241%0.412CS..THydrogen-bonded Turntrans-69.9-31.3171.200000111.4K74 S145 M150K74-A148 WeakPolarHBondContact CE-O 3.45Å; K74-A148 PolarHBondContact NZ-O 2.75Å; S145-A148 WeakPolarHBondContact O-CB 3.34Å; S145-A148 PolarHBondContact O-N 2.98Å; A148-M150 VanDerWaalsContact C-N 3.29Å; A148-M150 PolarHBondContact O-N 3.03Å
149A73Confident75.9Confident5 Ų574.6 Ų74.64%0.04140%0.403CS..THydrogen-bonded Turntrans-79.50.7172.700000114.4N113 Y116 V117 F144 S145 E146 S147 F151N113-A149 HydrophobicContact CB-CB 4.46Å; Y116-A149 HydrophobicContact CD1-CB 3.97Å; V117-A149 HydrophobicContact CG2-CB 4.1Å; V117-A149 WeakPolarHBondContact CG2-O 3.2Å; F144-A149 HydrophobicContact CE2-CB 3.96Å; F144-A149 HydrophobicContact CZ-CB 3.91Å; S145-A149 PolarHBondContact O-N 3.39Å; S145-A149 VanDerWaalsContact O-N 3.13Å; E146-A149 CarbonylContact O-C 3.55Å; E146-A149 PolarHBondContact O-N 3.44Å; S147-A149 VanDerWaalsContact C-N 3.31Å; A149-F151 WeakPolarHBondContact O-CD2 3.43Å; A149-F151 PolarHBondContact O-N 3.46Å
150M68.3Low75.6Confident141 Ų14176.6 Ų76.670%0.69541%0.413SS*.  trans-76.6117-179-162.3177.6-168.800111.7E146 S147 A148E146-M150 PolarHBondContact O-N 3.28Å; S147-M150 WeakPolarHBondContact O-CB 3.45Å; S147-M150 PolarHBondContact O-N 2.98Å; A148-M150 VanDerWaalsContact C-N 3.29Å; A148-M150 PolarHBondContact O-N 3.03Å
151F69.3Low75.6Confident52 Ų5275.4 Ų75.423%0.22840%0.404CS..  trans-92.6114.8175.7-83.1-132.3000110.1M73 K74 H81 W114 V117 F118 A149M73-F151 HydrophobicContact CB-CE1 4.14Å; M73-F151 HydrophobicContact CB-CZ 4.27Å; M73-F151 VanDerWaalsContact O-CD1 3.24Å; M73-F151 WeakPolarHBondContact O-CD1 3.44Å; M73-F151 WeakPolarHBondContact O-CE1 3.27Å; K74-F151 HydrophobicContact CG-CD2 4.11Å; K74-F151 HydrophobicContact CG-CE2 4.28Å; K74-F151 HydrophobicContact CG-CG 4.31Å; H81-F151 AromaticContact CE1-CD1 3.91Å; H81-F151 AromaticContact CE1-CE1 3.93Å; H81-F151 AromaticContact NE2-CD1 3.71Å; H81-F151 AromaticContact NE2-CE1 3.49Å; H81-F151 WeakPolarHBondContact NE2-CE1 3.32Å; W114-F151 AromaticContact CD1-CZ 3.77Å; V117-F151 HydrophobicContact CB-CD2 4.28Å; V117-F151 HydrophobicContact CB-CE2 4.03Å; V117-F151 HydrophobicContact CB-CZ 4.48Å; V117-F151 HydrophobicContact CG1-CD1 4.31Å; V117-F151 HydrophobicContact CG1-CD2 3.84Å; V117-F151 HydrophobicContact CG1-CE1 4.34Å; V117-F151 HydrophobicContact CG1-CE2 3.89Å; V117-F151 HydrophobicContact CG1-CG 4.06Å; V117-F151 HydrophobicContact CG1-CZ 4.13Å; V117-F151 HydrophobicContact CG2-CD2 3.74Å; V117-F151 HydrophobicContact CG2-CE2 3.7Å; F118-F151 HydrophobicContact CE1-CE1 4.48Å; F118-F151 HydrophobicContact CE2-CZ 4.48Å; F118-F151 AromaticContact CZ-CE1 3.89Å; F118-F151 HydrophobicContact CZ-CE1 3.89Å; F118-F151 HydrophobicContact CZ-CZ 4.14Å; A149-F151 WeakPolarHBondContact O-CD2 3.43Å; A149-F151 PolarHBondContact O-N 3.46Å
152S56.6Low75.5Confident54 Ų5474.7 Ų74.738%0.37841%0.407SS..  trans-99140.5-175.853.40000113.4N75N75-S152 PolarHBondContact OD1-OG 3.42Å
153V61.2Low75.7Confident83 Ų8379 Ų7950%0.50343%0.427SS..SBendtrans80.3140.1171-168.10000115.5E201V153-E201 WeakPolarHBondContact CG1-O 3.36Å
154V58.4Low76.2Confident105 Ų10571.6 Ų71.664%0.63640%0.4SS*.PPolyproline II helixtrans-81.9136.9177.2-172.30000109F202V154-F202 HydrophobicContact CB-CE1 4.3Å; V154-F202 HydrophobicContact CG1-CE1 4.06Å; V154-F202 WeakPolarHBondContact O-CD1 3.46Å
155C64.1Low76.7Confident26 Ų2668 Ų6818%0.17638%0.384CS..PPolyproline II helixtrans-79.6147.3174.6-170.80000111.9C76 F202C76-C155 VanDerWaalsContact O-CB 3.3Å; C76-C155 WeakPolarHBondContact O-CB 3.25Å; C76-C155 PolarHBondContact O-SG 2.92Å; C155-F202 WeakPolarHBondContact O-CE1 3.33Å
156A69.3Low77.5Confident5 Ų569.7 Ų69.74%0.04139%0.386CS..PPolyproline II helixtrans-58.5129.1171.400000110.1R37 Q39 F202R37-A156 WeakPolarHBondContact O-CB 3.4Å; Q39-A156 PolarHBondContact NE2-O 2.94Å; A156-F202 VanDerWaalsContact CA-CD1 3.5Å; A156-F202 HydrophobicContact CB-CB 4.08Å; A156-F202 HydrophobicContact CB-CD1 4.14Å; A156-F202 HydrophobicContact CB-CD2 4.47Å; A156-F202 HydrophobicContact CB-CG 3.97Å
157P77.2Confident78.2Confident40 Ų4068.9 Ų68.926%0.2638%0.378SS..PPolyproline II helixtrans-63146-173.123.4-33.2000112.5Q39 W159 K183Q39-P157 PolarHBondContact NE2-O 3.35Å; P157-W159 PolarHBondContact O-N 2.86Å; P157-K183 WeakPolarHBondContact CG-O 3.43Å
158S76.8Confident79.1Confident78 Ų7867.5 Ų67.555%0.54537%0.367SS..PPolyproline II helixtrans-58.2135.7174.852.30000111.1K160S158-K160 PolarHBondContact O-N 3.11Å
159W85Confident80.1Confident105 Ų10573.2 Ų73.240%0.39839%0.388SS..PPolyproline II helixtrans-73.2116.2179.3-73.616.6000109.4Q39 P157 H180 R182 G185Q39-W159 VanDerWaalsContact OE1-CD1 3.29Å; P157-W159 PolarHBondContact O-N 2.86Å; W159-H180 HydrophobicContact CD2-CB 3.68Å; W159-H180 AromaticContact CD2-CG 3.73Å; W159-H180 HydrophobicContact CE3-CB 3.85Å; W159-H180 AromaticContact CE3-CG 3.59Å; W159-H180 AromaticContact CE3-ND1 3.64Å; W159-H180 HydrophobicContact CG-CB 4.01Å; W159-H180 AromaticContact CG-CD2 3.81Å; W159-H180 AromaticContact CG-CG 3.94Å; W159-H180 HydrophobicContact CZ3-CB 4.47Å; W159-R182 HydrophobicContact CZ2-CG 4.49Å; W159-R182 VanDerWaalsContact CZ2-CZ 3.48Å; W159-G185 WeakPolarHBondContact CA-O 3.08Å
160K86.4Confident81Confident110 Ų11074.4 Ų74.448%0.47840%0.396SS..PPolyproline II helixtrans-79.7154.3179.5-59.9-173.2-180-175.80109.5S158 H180 G185 V187S158-K160 PolarHBondContact O-N 3.11Å; K160-H180 PolarHBondContact O-CD2 2.84Å; K160-H180 PolarHBondContact O-NE2 3.49Å; K160-G185 PolarHBondContact N-O 3.34Å; K160-V187 WeakPolarHBondContact O-CG2 3.42Å
161E87.7Confident82.3Confident131 Ų13170.6 Ų70.661%0.61239%0.387SS*.PPolyproline II helixtrans-100.9153.8174-168.943-11000110.2K178E161-K178 WeakPolarHBondContact OE1-CD 3.48Å; E161-K178 WeakPolarHBondContact OE1-CE 3.22Å; E161-K178 IonicContact OE1-NZ 3.86Å; E161-K178 PolarHBondContact OE1-NZ 3.23Å
162G87.8Confident83.6Confident22 Ų2269.6 Ų69.623%0.22738%0.383CS..  trans-174.2148-176.500000114.4F172 K178G162-F172 VanDerWaalsContact O-CD2 3.27Å; G162-F172 WeakPolarHBondContact O-CD2 3.29Å; G162-F172 WeakPolarHBondContact O-CE2 3.49Å; G162-K178 WeakPolarHBondContact O-CE 3.47Å; G162-K178 PolarHBondContact O-NZ 2.68Å
163N91.4Very high85.3Confident131 Ų13170.9 Ų70.970%0.70139%0.388SS*.SBendtrans-93.7-3.5-175.9-67.5-18.9000114.2A171 F172N163-A171 WeakPolarHBondContact O-CA 3.31Å; N163-F172 PolarHBondContact O-N 3.48Å
164A94.5Very high86.7Confident41 Ų4172.5 Ų72.534%0.33940%0.398SS..BIsolated β-bridgetrans-143.6155.7174.300000111.9H166 K169 S170 F172A164-H166 PolarHBondContact O-N 3.29Å; A164-K169 WeakPolarHBondContact CB-O 3.5Å; A164-S170 CarbonylContact C-O 3.59Å; A164-S170 WeakPolarHBondContact CA-O 3.46Å; A164-F172 VanDerWaalsContact O-CE2 3.28Å; A164-F172 WeakPolarHBondContact O-CE2 3.36Å
165C96Very high88.3Confident1 Ų176.7 Ų76.71%0.00741%0.408CS..  trans-59.9128.1176.8173.80000111.6R167 K169 S170 F172 F188 C189C165-R167 VanDerWaalsContact C-N 3.28Å; C165-R167 PolarHBondContact O-N 3.17Å; C165-K169 WeakPolarHBondContact O-CA 3.27Å; C165-K169 PolarHBondContact O-N 2.9Å; C165-S170 PolarHBondContact N-O 2.99Å; C165-F172 HydrophobicContact CB-CE1 4.36Å; C165-F172 HydrophobicContact CB-CZ 4.21Å; C165-F188 VanDerWaalsContact SG-CA 3.58Å; C165-C189 HydrophobicContact CB-CB 4.32Å; C165-C189 PolarHBondContact SG-N 3.01Å; C165-C189 VanDerWaalsContact SG-N 3.36Å
166H94.9Very high89.6Confident88 Ų8879.1 Ų79.141%0.40741%0.414SS..THydrogen-bonded Turntrans-62.2-32.1-177.4-17196.7000113.2A164 K169 Q186 V187 F188A164-H166 PolarHBondContact O-N 3.29Å; H166-K169 WeakPolarHBondContact O-CE 3.22Å; H166-K169 PolarHBondContact O-NZ 3.44Å; H166-Q186 HydrophobicContact CB-CB 4.07Å; H166-Q186 VanDerWaalsContact CE1-CD 3.42Å; H166-Q186 PolarHBondContact CE1-NE2 3.5Å; H166-Q186 VanDerWaalsContact ND1-CD 3.31Å; H166-Q186 PolarHBondContact ND1-OE1 3.04Å; H166-Q186 VanDerWaalsContact ND1-OE1 3.09Å; H166-V187 WeakPolarHBondContact CB-O 3.36Å; H166-V187 PolarHBondContact N-O 3.46Å; H166-F188 HydrophobicContact CB-CD1 4.15Å; H166-F188 HydrophobicContact CB-CE1 3.77Å; H166-F188 HydrophobicContact CB-CZ 4.03Å
167R93.1Very high90.7Very high116 Ų11687.2 Ų87.244%0.43844%0.443SS..THydrogen-bonded Turntrans-79-76.5175.4-167177.2-168.7-153.6-1.9111.5C165 K169 F188 C192 D212C165-R167 VanDerWaalsContact C-N 3.28Å; C165-R167 PolarHBondContact O-N 3.17Å; R167-K169 VanDerWaalsContact C-N 3.35Å; R167-K169 PolarHBondContact O-N 2.86Å; R167-F188 HydrophobicContact CB-CD1 3.86Å; R167-F188 HydrophobicContact CB-CE1 3.92Å; R167-C192 HydrophobicContact CB-CB 3.97Å; R167-D212 IonicContact CZ-OD2 2.68Å; R167-D212 IonicContact NH1-OD2 2.62Å; R167-D212 PolarHBondContact NH1-OD2 2.87Å
168C95.5Very high91.5Very high62 Ų6289.2 Ų89.242%0.41945%0.448SS..THydrogen-bonded Turntrans-82.81.6-17266.60000116S170C168-S170 PolarHBondContact O-N 3.43Å; C168-S170 PolarHBondContact SG-OG 2.75Å
169K94.6Very high92.3Very high142 Ų14288.2 Ų88.262%0.61743%0.434SS*.  trans57.98.1-180-45.7-53.8-176.3-171.50116.2A164 C165 H166 R167 A171A164-K169 WeakPolarHBondContact CB-O 3.5Å; C165-K169 WeakPolarHBondContact O-CA 3.27Å; C165-K169 PolarHBondContact O-N 2.9Å; H166-K169 WeakPolarHBondContact O-CE 3.22Å; H166-K169 PolarHBondContact O-NZ 3.44Å; R167-K169 VanDerWaalsContact C-N 3.35Å; R167-K169 PolarHBondContact O-N 2.86Å; K169-A171 PolarHBondContact O-N 3.09Å
170S93.7Very high92.7Very high29 Ų2984.5 Ų84.520%0.20342%0.421CS..PPolyproline II helixtrans-61.5127.1173.666.80000111A164 C165 C168 R176A164-S170 CarbonylContact C-O 3.59Å; A164-S170 WeakPolarHBondContact CA-O 3.46Å; C165-S170 PolarHBondContact N-O 2.99Å; C168-S170 PolarHBondContact O-N 3.43Å; C168-S170 PolarHBondContact SG-OG 2.75Å; S170-R176 WeakPolarHBondContact OG-CD 3.13Å; S170-R176 PolarHBondContact OG-NH1 3.41Å
171A95.1Very high93.1Very high62 Ų6279.2 Ų79.251%0.51240%0.399SS..BIsolated β-bridgetrans-59146174.700000111.9N163 K169 R176N163-A171 WeakPolarHBondContact O-CA 3.31Å; K169-A171 PolarHBondContact O-N 3.09Å; A171-R176 VanDerWaalsContact O-CD 3.27Å; A171-R176 WeakPolarHBondContact O-CD 3.36Å
172F95.4Very high93.2Very high31 Ų3176.3 Ų76.314%0.13638%0.382CS..PPolyproline II helixtrans-81.4143.4175.4-64.3-63.8000111.4G162 N163 A164 C165 R176 R177 K178 V187 F188G162-F172 VanDerWaalsContact O-CD2 3.27Å; G162-F172 WeakPolarHBondContact O-CD2 3.29Å; G162-F172 WeakPolarHBondContact O-CE2 3.49Å; N163-F172 PolarHBondContact O-N 3.48Å; A164-F172 VanDerWaalsContact O-CE2 3.28Å; A164-F172 WeakPolarHBondContact O-CE2 3.36Å; C165-F172 HydrophobicContact CB-CE1 4.36Å; C165-F172 HydrophobicContact CB-CZ 4.21Å; F172-R176 WeakPolarHBondContact CA-O 3.45Å; F172-R176 HydrophobicContact CD1-CG 4.44Å; F172-R176 WeakPolarHBondContact CD1-O 3.36Å; F172-R177 WeakPolarHBondContact CD1-O 3.37Å; F172-K178 HydrophobicContact CB-CG 4.04Å; F172-K178 HydrophobicContact CD1-CG 3.85Å; F172-K178 HydrophobicContact CD2-CD 4.08Å; F172-K178 HydrophobicContact CD2-CG 3.57Å; F172-K178 HydrophobicContact CE1-CG 4.14Å; F172-K178 HydrophobicContact CE2-CD 4.46Å; F172-K178 HydrophobicContact CE2-CG 3.87Å; F172-K178 HydrophobicContact CG-CD 4.41Å; F172-K178 HydrophobicContact CG-CG 3.55Å; F172-K178 HydrophobicContact CZ-CG 4.15Å; F172-V187 HydrophobicContact CE1-CG1 4.47Å; F172-V187 HydrophobicContact CE2-CB 4.04Å; F172-V187 HydrophobicContact CE2-CG1 3.66Å; F172-V187 HydrophobicContact CZ-CB 4.04Å; F172-V187 HydrophobicContact CZ-CG1 3.52Å; F172-F188 VanDerWaalsContact CE1-O 3.32Å; F172-F188 WeakPolarHBondContact CE1-O 3.42Å
173T92.5Very high93.3Very high81 Ų8177.4 Ų77.450%0.49738%0.38SS..  trans-141.5174.5-178.472.40000110.4F175 R176T173-F175 PolarHBondContact O-N 2.93Å; T173-F175 VanDerWaalsContact O-N 3.09Å; T173-F175 PolarHBondContact OG1-N 3.18Å; T173-R176 PolarHBondContact N-O 2.93Å; T173-R176 CarbonylContact O-C 3.23Å; T173-R176 VanDerWaalsContact O-C 3.23Å; T173-R176 PolarHBondContact O-N 3.16Å; T173-R176 WeakPolarHBondContact OG1-CB 3.31Å; T173-R176 PolarHBondContact OG1-N 3.2Å
174T90.4Very high93.3Very high116 Ų11673 Ų7371%0.71236%0.36SS*.SBendtrans-52-33.2176-40.10000113R177T174-R177 PolarHBondContact O-NE 3.42Å
175F91.9Very high93.1Very high193 Ų19371.1 Ų71.185%0.84634%0.344SS*.SBendtrans-90.5-44.4175.5-57.4-76.1000112.2T173 R177T173-F175 PolarHBondContact O-N 2.93Å; T173-F175 VanDerWaalsContact O-N 3.09Å; T173-F175 PolarHBondContact OG1-N 3.18Å; F175-R177 PolarHBondContact O-N 3.25Å
176R91.5Very high93Very high78 Ų7873.2 Ų73.229%0.29435%0.354SS..SBendtrans-88.182.5179-175.3169.5-76.9-92.6-16.1110.2S170 A171 F172 T173 C189 E191S170-R176 WeakPolarHBondContact OG-CD 3.13Å; S170-R176 PolarHBondContact OG-NH1 3.41Å; A171-R176 VanDerWaalsContact O-CD 3.27Å; A171-R176 WeakPolarHBondContact O-CD 3.36Å; F172-R176 WeakPolarHBondContact CA-O 3.45Å; F172-R176 HydrophobicContact CD1-CG 4.44Å; F172-R176 WeakPolarHBondContact CD1-O 3.36Å; T173-R176 PolarHBondContact N-O 2.93Å; T173-R176 CarbonylContact O-C 3.23Å; T173-R176 VanDerWaalsContact O-C 3.23Å; T173-R176 PolarHBondContact O-N 3.16Å; T173-R176 WeakPolarHBondContact OG1-CB 3.31Å; T173-R176 PolarHBondContact OG1-N 3.2Å; R176-C189 HydrophobicContact CG-CB 4.32Å; R176-E191 IonicContact CZ-OE1 3.51Å; R176-E191 IonicContact CZ-OE2 3.48Å; R176-E191 IonicContact NH1-OE1 3.51Å; R176-E191 IonicContact NH1-OE2 2.69Å; R176-E191 PolarHBondContact NH1-OE2 3.12Å; R176-E191 IonicContact NH2-OE1 2.69Å; R176-E191 PolarHBondContact NH2-OE1 3.44Å; R176-E191 IonicContact NH2-OE2 3.42Å; R176-E191 PolarHBondContact NH2-OE2 2.99Å
177R92.5Very high93Very high175 Ų17569.3 Ų69.366%0.6634%0.336SS*.  trans-75.1161.4-174.5-63.8179-177.9169.8-1113.5F172 T174 F175 H179F172-R177 WeakPolarHBondContact CD1-O 3.37Å; T174-R177 PolarHBondContact O-NE 3.42Å; F175-R177 PolarHBondContact O-N 3.25Å; R177-H179 PolarHBondContact O-CD2 3.47Å; R177-H179 VanDerWaalsContact O-CD2 3.31Å
178K93.9Very high93.2Very high81 Ų8164 Ų6435%0.35232%0.316SS..  trans-83.6134.4-179.5-66.5-177.3-179.6-172.70111.1E161 G162 F172 V187E161-K178 WeakPolarHBondContact OE1-CD 3.48Å; E161-K178 WeakPolarHBondContact OE1-CE 3.22Å; E161-K178 IonicContact OE1-NZ 3.86Å; E161-K178 PolarHBondContact OE1-NZ 3.23Å; G162-K178 WeakPolarHBondContact O-CE 3.47Å; G162-K178 PolarHBondContact O-NZ 2.68Å; F172-K178 HydrophobicContact CB-CG 4.04Å; F172-K178 HydrophobicContact CD1-CG 3.85Å; F172-K178 HydrophobicContact CD2-CD 4.08Å; F172-K178 HydrophobicContact CD2-CG 3.57Å; F172-K178 HydrophobicContact CE1-CG 4.14Å; F172-K178 HydrophobicContact CE2-CD 4.46Å; F172-K178 HydrophobicContact CE2-CG 3.87Å; F172-K178 HydrophobicContact CG-CD 4.41Å; F172-K178 HydrophobicContact CG-CG 3.55Å; F172-K178 HydrophobicContact CZ-CG 4.15Å; K178-V187 HydrophobicContact CB-CG1 3.67Å; K178-V187 HydrophobicContact CD-CG1 4.4Å; K178-V187 HydrophobicContact CG-CG1 4Å
179H94.4Very high93.2Very high58 Ų5861.1 Ų61.127%0.26930%0.296SS..EExtended strand (participates in β ladder)trans-139.5122.7176.5-56.4-83.1000112R177 F188 G190R177-H179 PolarHBondContact O-CD2 3.47Å; R177-H179 VanDerWaalsContact O-CD2 3.31Å; H179-F188 PolarHBondContact N-O 3.09Å; H179-F188 PolarHBondContact O-N 3.02Å; H179-G190 PolarHBondContact CD2-N 3.47Å
180H94Very high93.1Very high26 Ų2655.8 Ų55.812%0.1228%0.282CS..EExtended strand (participates in β ladder)trans-86136.8179.3-60.377.6000113.4W159 K160 R182 Q186W159-H180 HydrophobicContact CD2-CB 3.68Å; W159-H180 AromaticContact CD2-CG 3.73Å; W159-H180 HydrophobicContact CE3-CB 3.85Å; W159-H180 AromaticContact CE3-CG 3.59Å; W159-H180 AromaticContact CE3-ND1 3.64Å; W159-H180 HydrophobicContact CG-CB 4.01Å; W159-H180 AromaticContact CG-CD2 3.81Å; W159-H180 AromaticContact CG-CG 3.94Å; W159-H180 HydrophobicContact CZ3-CB 4.47Å; K160-H180 PolarHBondContact O-CD2 2.84Å; K160-H180 PolarHBondContact O-NE2 3.49Å; H180-R182 PolarHBondContact O-NH1 2.67Å; H180-Q186 WeakPolarHBondContact CA-O 3.47Å
181C94.6Very high93.2Very high0 Ų060 Ų600%030%0.298CS..  trans-77.1127.3166.3172.20000110.1K183 C184 G185 Q186 F188 C211 C214C181-K183 PolarHBondContact O-N 3.33Å; C181-K183 PolarHBondContact SG-N 3.04Å; C181-C184 VanDerWaalsContact SG-SG 3.63Å; C181-G185 WeakPolarHBondContact O-CA 3.4Å; C181-G185 PolarHBondContact O-N 3.2Å; C181-Q186 PolarHBondContact N-O 3.34Å; C181-F188 HydrophobicContact CB-CD2 4.01Å; C181-F188 HydrophobicContact CB-CE2 3.55Å; C181-C211 HydrophobicContact CB-CB 3.99Å; C181-C211 PolarHBondContact SG-N 3.03Å; C181-C211 VanDerWaalsContact SG-SG 3.68Å; C181-C214 VanDerWaalsContact SG-SG 3.64Å
182R90.2Very high93.2Very high69 Ų6957.5 Ų57.526%0.2628%0.277SS..THydrogen-bonded Turntrans-70.5-27.3-178.9-82.768.3173.9142.85.9114W159 H180 L199 V208 R209W159-R182 HydrophobicContact CZ2-CG 4.49Å; W159-R182 VanDerWaalsContact CZ2-CZ 3.48Å; H180-R182 PolarHBondContact O-NH1 2.67Å; R182-L199 HydrophobicContact CB-CD1 3.78Å; R182-V208 HydrophobicContact CB-CB 4.07Å; R182-V208 HydrophobicContact CB-CG2 3.71Å; R182-V208 HydrophobicContact CG-CB 3.84Å; R182-V208 HydrophobicContact CG-CG1 4.3Å; R182-V208 HydrophobicContact CG-CG2 4.02Å; R182-R209 VanDerWaalsContact CD-O 3.3Å; R182-R209 WeakPolarHBondContact CD-O 3.17Å; R182-R209 PolarHBondContact N-O 3.08Å
183K88.7Confident93.2Very high45 Ų4556 Ų5620%0.19627%0.271CS..THydrogen-bonded Turntrans-78.8-24.5177.5179.6166.9178.2111.80114.5P157 C181 L199 E201 F202 V210 C214 I218P157-K183 WeakPolarHBondContact CG-O 3.43Å; C181-K183 PolarHBondContact O-N 3.33Å; C181-K183 PolarHBondContact SG-N 3.04Å; K183-L199 HydrophobicContact CB-CD1 3.97Å; K183-L199 HydrophobicContact CB-CD2 4Å; K183-L199 HydrophobicContact CD-CD2 4.16Å; K183-L199 HydrophobicContact CG-CD2 4.44Å; K183-E201 WeakPolarHBondContact CD-OE1 3.44Å; K183-E201 WeakPolarHBondContact CE-OE1 3.29Å; K183-E201 IonicContact NZ-OE1 3.36Å; K183-E201 PolarHBondContact NZ-OE1 3.46Å; K183-E201 IonicContact NZ-OE2 2.69Å; K183-E201 PolarHBondContact NZ-OE2 2.69Å; K183-F202 HydrophobicContact CB-CE2 4.28Å; K183-F202 HydrophobicContact CG-CE2 4.14Å; K183-V210 HydrophobicContact CB-CG1 4.27Å; K183-C214 HydrophobicContact CB-CB 4.01Å; K183-C214 HydrophobicContact CD-CB 4.09Å; K183-C214 HydrophobicContact CG-CB 4.29Å; K183-I218 HydrophobicContact CD-CD1 3.91Å; K183-I218 HydrophobicContact CD-CG1 3.86Å
184C90.7Very high93.2Very high40 Ų4056.2 Ų56.227%0.2728%0.275SS..THydrogen-bonded Turntrans-131.50.1-17479.70000116C181 Q186C181-C184 VanDerWaalsContact SG-SG 3.63Å; C184-Q186 PolarHBondContact O-N 2.85Å
185G90.8Very high93.3Very high0 Ų051.8 Ų51.80%025%0.249CC..  trans67.4-6.4175.700000116.3W159 K160 C181W159-G185 WeakPolarHBondContact CA-O 3.08Å; K160-G185 PolarHBondContact N-O 3.34Å; C181-G185 WeakPolarHBondContact O-CA 3.4Å; C181-G185 PolarHBondContact O-N 3.2Å
186Q93.6Very high93.4Very high46 Ų4649.1 Ų49.122%0.21523%0.234CC..  trans-76.1154.1-178-61.6-72.1-1.400112.3H166 H180 C181 C184 F188H166-Q186 HydrophobicContact CB-CB 4.07Å; H166-Q186 VanDerWaalsContact CE1-CD 3.42Å; H166-Q186 PolarHBondContact CE1-NE2 3.5Å; H166-Q186 VanDerWaalsContact ND1-CD 3.31Å; H166-Q186 PolarHBondContact ND1-OE1 3.04Å; H166-Q186 VanDerWaalsContact ND1-OE1 3.09Å; H180-Q186 WeakPolarHBondContact CA-O 3.47Å; C181-Q186 PolarHBondContact N-O 3.34Å; C184-Q186 PolarHBondContact O-N 2.85Å; Q186-F188 HydrophobicContact CB-CD2 4.49Å; Q186-F188 HydrophobicContact CB-CE2 3.55Å; Q186-F188 HydrophobicContact CB-CZ 3.74Å; Q186-F188 WeakPolarHBondContact O-CD2 3.44Å; Q186-F188 WeakPolarHBondContact O-CE2 3.41Å
187V95.5Very high93.4Very high5 Ų545.9 Ų45.93%0.0322%0.223CC..EExtended strand (participates in β ladder)trans-91.2136.9178.5-152.30000111.9K160 H166 F172 K178K160-V187 WeakPolarHBondContact O-CG2 3.42Å; H166-V187 WeakPolarHBondContact CB-O 3.36Å; H166-V187 PolarHBondContact N-O 3.46Å; F172-V187 HydrophobicContact CE1-CG1 4.47Å; F172-V187 HydrophobicContact CE2-CB 4.04Å; F172-V187 HydrophobicContact CE2-CG1 3.66Å; F172-V187 HydrophobicContact CZ-CB 4.04Å; F172-V187 HydrophobicContact CZ-CG1 3.52Å; K178-V187 HydrophobicContact CB-CG1 3.67Å; K178-V187 HydrophobicContact CD-CG1 4.4Å; K178-V187 HydrophobicContact CG-CG1 4Å
188F96.8Very high93.3Very high4 Ų441.3 Ų41.32%0.01821%0.211CC..EExtended strand (participates in β ladder)trans-137.9165.8-180-58.5-91.4000111.3C165 H166 R167 F172 H179 C181 Q186 C192 T193 C211C165-F188 VanDerWaalsContact SG-CA 3.58Å; H166-F188 HydrophobicContact CB-CD1 4.15Å; H166-F188 HydrophobicContact CB-CE1 3.77Å; H166-F188 HydrophobicContact CB-CZ 4.03Å; R167-F188 HydrophobicContact CB-CD1 3.86Å; R167-F188 HydrophobicContact CB-CE1 3.92Å; F172-F188 VanDerWaalsContact CE1-O 3.32Å; F172-F188 WeakPolarHBondContact CE1-O 3.42Å; H179-F188 PolarHBondContact N-O 3.09Å; H179-F188 PolarHBondContact O-N 3.02Å; C181-F188 HydrophobicContact CB-CD2 4.01Å; C181-F188 HydrophobicContact CB-CE2 3.55Å; Q186-F188 HydrophobicContact CB-CD2 4.49Å; Q186-F188 HydrophobicContact CB-CE2 3.55Å; Q186-F188 HydrophobicContact CB-CZ 3.74Å; Q186-F188 WeakPolarHBondContact O-CD2 3.44Å; Q186-F188 WeakPolarHBondContact O-CE2 3.41Å; F188-C192 HydrophobicContact CB-CB 4.14Å; F188-C192 HydrophobicContact CD1-CB 4.04Å; F188-C192 HydrophobicContact CG-CB 4.49Å; F188-T193 HydrophobicContact CB-CG2 3.53Å; F188-T193 HydrophobicContact CD2-CG2 3.68Å; F188-T193 HydrophobicContact CG-CG2 3.75Å; F188-C211 HydrophobicContact CD1-CB 4.03Å; F188-C211 HydrophobicContact CD2-CB 3.86Å; F188-C211 HydrophobicContact CE1-CB 3.7Å; F188-C211 HydrophobicContact CE2-CB 3.53Å; F188-C211 HydrophobicContact CG-CB 4.12Å; F188-C211 HydrophobicContact CZ-CB 3.45Å; F188-C211 VanDerWaalsContact CZ-CB 3.45Å; F188-C211 VanDerWaalsContact CZ-SG 3.52Å
189C96Very high92.8Very high2 Ų237.5 Ų37.51%0.01420%0.195CC..  trans-76169.2161.3620000110.6C165 R176 E191 C192 T193C165-C189 HydrophobicContact CB-CB 4.32Å; C165-C189 PolarHBondContact SG-N 3.01Å; C165-C189 VanDerWaalsContact SG-N 3.36Å; R176-C189 HydrophobicContact CG-CB 4.32Å; C189-E191 VanDerWaalsContact C-N 3.29Å; C189-E191 PolarHBondContact O-N 3.49Å; C189-E191 PolarHBondContact SG-OE2 3.22Å; C189-C192 PolarHBondContact O-N 2.93Å; C189-T193 PolarHBondContact O-N 2.75Å; C189-T193 PolarHBondContact O-OG1 2.65Å
190G93.6Very high92Very high31 Ų3139.7 Ų39.732%0.3221%0.214SC..SBendtrans-59.6-37.7177.400000113.4H179 C192 T193 S194H179-G190 PolarHBondContact CD2-N 3.47Å; G190-C192 VanDerWaalsContact C-N 3.33Å; G190-C192 PolarHBondContact O-N 2.92Å; G190-T193 CarbonylContact O-C 3.6Å; G190-T193 VanDerWaalsContact O-C 3.31Å; G190-T193 PolarHBondContact O-N 3.03Å; G190-S194 PolarHBondContact O-N 2.93Å
191E94Very high91Very high116 Ų11642.1 Ų42.154%0.54223%0.225SC..G310 helixtrans-60.1-41.2179.1-54.4142.5169.100111.9R176 C189 T193R176-E191 IonicContact CZ-OE1 3.51Å; R176-E191 IonicContact CZ-OE2 3.48Å; R176-E191 IonicContact NH1-OE1 3.51Å; R176-E191 IonicContact NH1-OE2 2.69Å; R176-E191 PolarHBondContact NH1-OE2 3.12Å; R176-E191 IonicContact NH2-OE1 2.69Å; R176-E191 PolarHBondContact NH2-OE1 3.44Å; R176-E191 IonicContact NH2-OE2 3.42Å; R176-E191 PolarHBondContact NH2-OE2 2.99Å; C189-E191 VanDerWaalsContact C-N 3.29Å; C189-E191 PolarHBondContact O-N 3.49Å; C189-E191 PolarHBondContact SG-OE2 3.22Å; E191-T193 VanDerWaalsContact C-N 3.28Å; E191-T193 PolarHBondContact O-N 3.23Å
192C95.8Very high90Very high10 Ų1042.7 Ų42.77%0.06823%0.228CC..G310 helixtrans-88.39-178.5-64.70000113.7R167 F188 C189 G190 C211 D212R167-C192 HydrophobicContact CB-CB 3.97Å; F188-C192 HydrophobicContact CB-CB 4.14Å; F188-C192 HydrophobicContact CD1-CB 4.04Å; F188-C192 HydrophobicContact CG-CB 4.49Å; C189-C192 PolarHBondContact O-N 2.93Å; G190-C192 VanDerWaalsContact C-N 3.33Å; G190-C192 PolarHBondContact O-N 2.92Å; C192-C211 WeakPolarHBondContact O-CA 3.49Å; C192-C211 WeakPolarHBondContact O-CB 3.46Å; C192-D212 VanDerWaalsContact C-OD2 3.26Å; C192-D212 VanDerWaalsContact CA-OD2 3.24Å; C192-D212 WeakPolarHBondContact CA-OD2 3.47Å; C192-D212 VanDerWaalsContact O-OD2 3.14Å
193T94.8Very high89Confident0 Ų040.9 Ų40.90%023%0.231CC..G310 helixtrans-140.340.9173.949.80000110.4F188 C189 G190 E191 S195 R209 V210 C211F188-T193 HydrophobicContact CB-CG2 3.53Å; F188-T193 HydrophobicContact CD2-CG2 3.68Å; F188-T193 HydrophobicContact CG-CG2 3.75Å; C189-T193 PolarHBondContact O-N 2.75Å; C189-T193 PolarHBondContact O-OG1 2.65Å; G190-T193 CarbonylContact O-C 3.6Å; G190-T193 VanDerWaalsContact O-C 3.31Å; G190-T193 PolarHBondContact O-N 3.03Å; E191-T193 VanDerWaalsContact C-N 3.28Å; E191-T193 PolarHBondContact O-N 3.23Å; T193-S195 PolarHBondContact O-N 3.42Å; T193-R209 HydrophobicContact CG2-CG 4.21Å; T193-R209 PolarHBondContact O-NH1 2.71Å; T193-R209 PolarHBondContact OG1-NH1 2.96Å; T193-V210 VanDerWaalsContact CA-O 3.32Å; T193-V210 WeakPolarHBondContact CA-O 3.24Å; T193-C211 HydrophobicContact CG2-CB 3.95Å
194S92.6Very high88.5Confident85 Ų8539.6 Ų39.659%0.59423%0.226SC*.  trans-61.8-35.3178.561.10000112.1G190 D212G190-S194 PolarHBondContact O-N 2.93Å; S194-D212 PolarHBondContact OG-OD1 3.41Å
195S93.9Very high87.8Confident23 Ų2345.7 Ų45.716%0.16125%0.25CS..  trans-86.2154.7-168.6-57.70000113.7T193 V210 F215T193-S195 PolarHBondContact O-N 3.42Å; S195-V210 PolarHBondContact O-N 2.83Å; S195-V210 VanDerWaalsContact O-N 3.08Å; S195-F215 VanDerWaalsContact CB-CG 3.44Å; S195-F215 WeakPolarHBondContact OG-CD1 3.46Å
196R94.3Very high87.5Confident138 Ų13853.3 Ų53.352%0.52128%0.284SS..EExtended strand (participates in β ladder)trans-125.7150.4172.4-49.3-174.975119.4-2.9110E207 V208 F215R196-E207 HydrophobicContact CB-CB 4.08Å; R196-E207 VanDerWaalsContact CZ-O 3.31Å; R196-E207 PolarHBondContact NE-O 3.14Å; R196-E207 PolarHBondContact NH2-O 2.76Å; R196-V208 VanDerWaalsContact CA-O 3.27Å; R196-V208 WeakPolarHBondContact CA-O 3.3Å; R196-F215 WeakPolarHBondContact O-CD2 3.48Å; R196-F215 WeakPolarHBondContact O-CE2 3.25Å
197A91.5Very high87.3Confident9 Ų956.8 Ų56.87%0.07430%0.3CS..EExtended strand (participates in β ladder)trans-151.9154.7174.300000110.9V208 V210 F215 I218A197-V208 PolarHBondContact N-O 2.85Å; A197-V208 WeakPolarHBondContact O-CG2 3.38Å; A197-V208 PolarHBondContact O-N 3.31Å; A197-V210 HydrophobicContact CB-CG1 4.38Å; A197-V210 HydrophobicContact CB-CG2 4.06Å; A197-F215 HydrophobicContact CB-CD2 4.27Å; A197-I218 HydrophobicContact CB-CD1 3.65Å
198I88.6Confident87.2Confident80 Ų8057.7 Ų57.741%0.4131%0.305SS..EExtended strand (participates in β ladder)trans-74.2143.9163.5-58.9178.3000107.6P200 I204 E207I198-P200 HydrophobicContact CG2-CG 4.07Å; I198-I204 VanDerWaalsContact CG2-O 3.26Å; I198-I204 WeakPolarHBondContact CG2-O 3.5Å; I198-E207 HydrophobicContact CG1-CG 4.07Å
199L84.9Confident87.1Confident1 Ų161 Ų611%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-127.179.5178.1-57.2172.4000110.6R182 K183 E201 F202 G203 I204 V208 V210 I218R182-L199 HydrophobicContact CB-CD1 3.78Å; K183-L199 HydrophobicContact CB-CD1 3.97Å; K183-L199 HydrophobicContact CB-CD2 4Å; K183-L199 HydrophobicContact CD-CD2 4.16Å; K183-L199 HydrophobicContact CG-CD2 4.44Å; L199-E201 PolarHBondContact O-N 3.02Å; L199-F202 HydrophobicContact CB-CD2 3.82Å; L199-F202 HydrophobicContact CD1-CD2 3.93Å; L199-F202 HydrophobicContact CD1-CE2 4.28Å; L199-F202 HydrophobicContact CG-CD2 4.41Å; L199-F202 PolarHBondContact O-N 3.31Å; L199-G203 PolarHBondContact O-N 3.17Å; L199-I204 HydrophobicContact CB-CB 4.19Å; L199-I204 HydrophobicContact CD1-CD1 4.42Å; L199-I204 PolarHBondContact N-O 3.2Å; L199-I204 PolarHBondContact O-N 3.32Å; L199-V208 HydrophobicContact CD1-CG2 3.66Å; L199-V208 HydrophobicContact CG-CG2 4.01Å; L199-V210 HydrophobicContact CD1-CG1 4.3Å; L199-V210 HydrophobicContact CD2-CG1 4.32Å; L199-I218 HydrophobicContact CD2-CD1 3.42Å; L199-I218 VanDerWaalsContact CD2-CD1 3.42Å; L199-I218 HydrophobicContact CD2-CG1 4.22Å
200P76.4Confident87Confident103 Ų10361 Ų6167%0.66932%0.317SS*.G310 helixtrans-61.7-31.3-179.1-21.634.3000112.7I198 F202 G203I198-P200 HydrophobicContact CG2-CG 4.07Å; P200-F202 PolarHBondContact O-N 2.87Å; P200-G203 PolarHBondContact O-N 2.89Å
201E72.7Confident87.1Confident77 Ų7759.7 Ų59.736%0.3630%0.303SS..G310 helixtrans-56.5-18.8174.369.6-168.8167.700114.1V153 K183 L199V153-E201 WeakPolarHBondContact CG1-O 3.36Å; K183-E201 WeakPolarHBondContact CD-OE1 3.44Å; K183-E201 WeakPolarHBondContact CE-OE1 3.29Å; K183-E201 IonicContact NZ-OE1 3.36Å; K183-E201 PolarHBondContact NZ-OE1 3.46Å; K183-E201 IonicContact NZ-OE2 2.69Å; K183-E201 PolarHBondContact NZ-OE2 2.69Å; L199-E201 PolarHBondContact O-N 3.02Å
202F74.9Confident87.1Confident12 Ų1254.9 Ų54.95%0.05328%0.282CS..G310 helixtrans-119.111.3175.4-52.8-52.9000112.9R37 V154 C155 A156 K183 L199 P200 I204R37-F202 WeakPolarHBondContact CD-O 3.48Å; R37-F202 PolarHBondContact NH1-O 3.13Å; V154-F202 HydrophobicContact CB-CE1 4.3Å; V154-F202 HydrophobicContact CG1-CE1 4.06Å; V154-F202 WeakPolarHBondContact O-CD1 3.46Å; C155-F202 WeakPolarHBondContact O-CE1 3.33Å; A156-F202 VanDerWaalsContact CA-CD1 3.5Å; A156-F202 HydrophobicContact CB-CB 4.08Å; A156-F202 HydrophobicContact CB-CD1 4.14Å; A156-F202 HydrophobicContact CB-CD2 4.47Å; A156-F202 HydrophobicContact CB-CG 3.97Å; K183-F202 HydrophobicContact CB-CE2 4.28Å; K183-F202 HydrophobicContact CG-CE2 4.14Å; L199-F202 HydrophobicContact CB-CD2 3.82Å; L199-F202 HydrophobicContact CD1-CD2 3.93Å; L199-F202 HydrophobicContact CD1-CE2 4.28Å; L199-F202 HydrophobicContact CG-CD2 4.41Å; L199-F202 PolarHBondContact O-N 3.31Å; P200-F202 PolarHBondContact O-N 2.87Å; F202-I204 VanDerWaalsContact C-N 3.26Å; F202-I204 HydrophobicContact CB-CD1 3.97Å; F202-I204 HydrophobicContact CB-CG1 4Å; F202-I204 PolarHBondContact O-N 3.15Å
203G68.7Low86.9Confident32 Ų3259.4 Ų59.433%0.3330%0.304SS..THydrogen-bonded Turntrans62.428.5-173.400000114L199 P200L199-G203 PolarHBondContact O-N 3.17Å; P200-G203 PolarHBondContact O-N 2.89Å
204I77.9Confident86.9Confident17 Ų1760.1 Ų60.19%0.08731%0.309CS..EExtended strand (participates in β ladder)trans-101.387.8179.2-52.8174.2000108.7I198 L199 F202 K206 V208I198-I204 VanDerWaalsContact CG2-O 3.26Å; I198-I204 WeakPolarHBondContact CG2-O 3.5Å; L199-I204 HydrophobicContact CB-CB 4.19Å; L199-I204 HydrophobicContact CD1-CD1 4.42Å; L199-I204 PolarHBondContact N-O 3.2Å; L199-I204 PolarHBondContact O-N 3.32Å; F202-I204 VanDerWaalsContact C-N 3.26Å; F202-I204 HydrophobicContact CB-CD1 3.97Å; F202-I204 HydrophobicContact CB-CG1 4Å; F202-I204 PolarHBondContact O-N 3.15Å; I204-K206 PolarHBondContact O-N 3.46Å; I204-V208 HydrophobicContact CG2-CB 4.37Å; I204-V208 HydrophobicContact CG2-CG1 3.62Å; I204-V208 HydrophobicContact CG2-CG2 3.83Å
205E76.9Confident86.9Confident168 Ų16859.2 Ų59.279%0.78530%0.295SS*.EExtended strand (participates in β ladder)trans-69.9-12.5-179.8-57.9-172139.700114.2
206K84.7Confident86.8Confident161 Ų16161.7 Ų61.770%0.730%0.303SS*.EExtended strand (participates in β ladder)trans-101.4144.2-176.3-64.9170-175166.30110.9I204 V208I204-K206 PolarHBondContact O-N 3.46Å; K206-V208 PolarHBondContact O-N 3Å
207E89.6Confident86.6Confident118 Ų11858 Ų5855%0.55130%0.299SS*.EExtended strand (participates in β ladder)trans-61.8106.5178.2-77.1-166.7-174.900113.1R196 I198R196-E207 HydrophobicContact CB-CB 4.08Å; R196-E207 VanDerWaalsContact CZ-O 3.31Å; R196-E207 PolarHBondContact NE-O 3.14Å; R196-E207 PolarHBondContact NH2-O 2.76Å; I198-E207 HydrophobicContact CG1-CG 4.07Å
208V92Very high86.3Confident25 Ų2559.1 Ų59.115%0.15230%0.303CS..EExtended strand (participates in β ladder)trans-106.7152.8179.2-74.20000112.4R182 R196 A197 L199 I204 K206 V210R182-V208 HydrophobicContact CB-CB 4.07Å; R182-V208 HydrophobicContact CB-CG2 3.71Å; R182-V208 HydrophobicContact CG-CB 3.84Å; R182-V208 HydrophobicContact CG-CG1 4.3Å; R182-V208 HydrophobicContact CG-CG2 4.02Å; R196-V208 VanDerWaalsContact CA-O 3.27Å; R196-V208 WeakPolarHBondContact CA-O 3.3Å; A197-V208 PolarHBondContact N-O 2.85Å; A197-V208 WeakPolarHBondContact O-CG2 3.38Å; A197-V208 PolarHBondContact O-N 3.31Å; L199-V208 HydrophobicContact CD1-CG2 3.66Å; L199-V208 HydrophobicContact CG-CG2 4.01Å; I204-V208 HydrophobicContact CG2-CB 4.37Å; I204-V208 HydrophobicContact CG2-CG1 3.62Å; I204-V208 HydrophobicContact CG2-CG2 3.83Å; K206-V208 PolarHBondContact O-N 3Å; V208-V210 PolarHBondContact O-N 3.48Å
209R94.6Very high86Confident74 Ų7458.1 Ų58.128%0.27930%0.299SS..EExtended strand (participates in β ladder)trans-60.5122.9178.4179.7178.6-70-92.7-9.1111.1R182 T193R182-R209 VanDerWaalsContact CD-O 3.3Å; R182-R209 WeakPolarHBondContact CD-O 3.17Å; R182-R209 PolarHBondContact N-O 3.08Å; T193-R209 HydrophobicContact CG2-CG 4.21Å; T193-R209 PolarHBondContact O-NH1 2.71Å; T193-R209 PolarHBondContact OG1-NH1 2.96Å
210V95.4Very high85.4Confident0 Ų065.5 Ų65.50%033%0.326CS..  trans-119.5156.3172.7-72.90000109.8K183 T193 S195 A197 L199 V208 C214 F215 I218K183-V210 HydrophobicContact CB-CG1 4.27Å; T193-V210 VanDerWaalsContact CA-O 3.32Å; T193-V210 WeakPolarHBondContact CA-O 3.24Å; S195-V210 PolarHBondContact O-N 2.83Å; S195-V210 VanDerWaalsContact O-N 3.08Å; A197-V210 HydrophobicContact CB-CG1 4.38Å; A197-V210 HydrophobicContact CB-CG2 4.06Å; L199-V210 HydrophobicContact CD1-CG1 4.3Å; L199-V210 HydrophobicContact CD2-CG1 4.32Å; V208-V210 PolarHBondContact O-N 3.48Å; V210-C214 HydrophobicContact CB-CB 4.09Å; V210-C214 HydrophobicContact CG1-CB 4.45Å; V210-F215 HydrophobicContact CG2-CB 3.84Å; V210-F215 HydrophobicContact CG2-CD2 4.13Å; V210-F215 HydrophobicContact CG2-CG 4.43Å; V210-I218 HydrophobicContact CG1-CD1 4.29Å
211C95.9Very high84.5Confident4 Ų462.9 Ų62.93%0.02732%0.319CS..  trans-78.9157.616666.30000109.8C181 F188 C192 T193 L213 C214 F215C181-C211 HydrophobicContact CB-CB 3.99Å; C181-C211 PolarHBondContact SG-N 3.03Å; C181-C211 VanDerWaalsContact SG-SG 3.68Å; F188-C211 HydrophobicContact CD1-CB 4.03Å; F188-C211 HydrophobicContact CD2-CB 3.86Å; F188-C211 HydrophobicContact CE1-CB 3.7Å; F188-C211 HydrophobicContact CE2-CB 3.53Å; F188-C211 HydrophobicContact CG-CB 4.12Å; F188-C211 HydrophobicContact CZ-CB 3.45Å; F188-C211 VanDerWaalsContact CZ-CB 3.45Å; F188-C211 VanDerWaalsContact CZ-SG 3.52Å; C192-C211 WeakPolarHBondContact O-CA 3.49Å; C192-C211 WeakPolarHBondContact O-CB 3.46Å; T193-C211 HydrophobicContact CG2-CB 3.95Å; C211-L213 PolarHBondContact O-N 2.98Å; C211-C214 WeakPolarHBondContact O-CA 3.46Å; C211-C214 WeakPolarHBondContact O-CB 3.46Å; C211-C214 PolarHBondContact O-N 2.9Å; C211-F215 PolarHBondContact O-N 2.96Å
212D93Very high83.6Confident16 Ų1665.7 Ų65.79%0.08634%0.335CS..Hα-helixtrans-63.8-32.9-166.8-31.9-67.6000111.8R167 C192 S194 C214 F215 E216R167-D212 IonicContact CZ-OD2 2.68Å; R167-D212 IonicContact NH1-OD2 2.62Å; R167-D212 PolarHBondContact NH1-OD2 2.87Å; C192-D212 VanDerWaalsContact C-OD2 3.26Å; C192-D212 VanDerWaalsContact CA-OD2 3.24Å; C192-D212 WeakPolarHBondContact CA-OD2 3.47Å; C192-D212 VanDerWaalsContact O-OD2 3.14Å; S194-D212 PolarHBondContact OG-OD1 3.41Å; D212-C214 VanDerWaalsContact C-N 3.35Å; D212-C214 PolarHBondContact O-N 3.48Å; D212-F215 WeakPolarHBondContact O-CB 3.29Å; D212-F215 PolarHBondContact O-N 3.34Å; D212-E216 WeakPolarHBondContact O-CG 3.31Å; D212-E216 PolarHBondContact O-N 3.43Å
213L92.6Very high82.3Confident105 Ų10568.5 Ų68.555%0.5536%0.356SS..Hα-helixtrans-64.1-34.9172-62.3176.7000113.3C211 S217C211-L213 PolarHBondContact O-N 2.98Å; L213-S217 WeakPolarHBondContact O-CB 3.49Å; L213-S217 PolarHBondContact O-N 3.22Å
214C93.7Very high81.2Confident14 Ų1471.6 Ų71.610%0.09537%0.373CS..Hα-helixtrans-74.5-37.8174.7-75.20000111.3C181 K183 V210 C211 D212 S217 I218C181-C214 VanDerWaalsContact SG-SG 3.64Å; K183-C214 HydrophobicContact CB-CB 4.01Å; K183-C214 HydrophobicContact CD-CB 4.09Å; K183-C214 HydrophobicContact CG-CB 4.29Å; V210-C214 HydrophobicContact CB-CB 4.09Å; V210-C214 HydrophobicContact CG1-CB 4.45Å; C211-C214 WeakPolarHBondContact O-CA 3.46Å; C211-C214 WeakPolarHBondContact O-CB 3.46Å; C211-C214 PolarHBondContact O-N 2.9Å; D212-C214 VanDerWaalsContact C-N 3.35Å; D212-C214 PolarHBondContact O-N 3.48Å; C214-S217 WeakPolarHBondContact O-CB 3.22Å; C214-S217 PolarHBondContact O-N 3.5Å; C214-I218 VanDerWaalsContact O-CD1 3.23Å; C214-I218 WeakPolarHBondContact O-CD1 3.43Å; C214-I218 WeakPolarHBondContact O-CG1 3.43Å; C214-I218 PolarHBondContact O-N 3.06Å
215F93.9Very high79.7Confident67 Ų6774.9 Ų74.929%0.29440%0.402SS..Hα-helixtrans-61.3-47173.6-173.4-116.4000111.5S195 R196 A197 V210 C211 D212 S217 I218 N219S195-F215 VanDerWaalsContact CB-CG 3.44Å; S195-F215 WeakPolarHBondContact OG-CD1 3.46Å; R196-F215 WeakPolarHBondContact O-CD2 3.48Å; R196-F215 WeakPolarHBondContact O-CE2 3.25Å; A197-F215 HydrophobicContact CB-CD2 4.27Å; V210-F215 HydrophobicContact CG2-CB 3.84Å; V210-F215 HydrophobicContact CG2-CD2 4.13Å; V210-F215 HydrophobicContact CG2-CG 4.43Å; C211-F215 PolarHBondContact O-N 2.96Å; D212-F215 WeakPolarHBondContact O-CB 3.29Å; D212-F215 PolarHBondContact O-N 3.34Å; F215-S217 PolarHBondContact O-N 3.15Å; F215-I218 PolarHBondContact O-N 3.23Å; F215-N219 VanDerWaalsContact CE1-ND2 3.32Å; F215-N219 WeakPolarHBondContact CE1-ND2 3.36Å; F215-N219 WeakPolarHBondContact CE2-ND2 3.25Å; F215-N219 WeakPolarHBondContact CZ-ND2 3.27Å; F215-N219 PolarHBondContact O-N 3.04Å
216E91.7Very high78.2Confident74 Ų7468.4 Ų68.435%0.34638%0.376SS..Hα-helixtrans-58.2-44.5171-77-171.4-119.700112.3D212 I218 N219 R220D212-E216 WeakPolarHBondContact O-CG 3.31Å; D212-E216 PolarHBondContact O-N 3.43Å; E216-I218 VanDerWaalsContact C-N 3.33Å; E216-I218 PolarHBondContact O-N 3.22Å; E216-N219 PolarHBondContact O-N 3.29Å; E216-R220 WeakPolarHBondContact O-CB 3.31Å; E216-R220 WeakPolarHBondContact O-CD 3.44Å; E216-R220 WeakPolarHBondContact O-CG 3.46Å; E216-R220 PolarHBondContact O-N 3.12Å; E216-R220 IonicContact OE2-CZ 3.59Å; E216-R220 IonicContact OE2-NE 2.75Å; E216-R220 PolarHBondContact OE2-NE 3.17Å; E216-R220 VanDerWaalsContact OE2-NE 3.16Å; E216-R220 IonicContact OE2-NH2 3.16Å; E216-R220 PolarHBondContact OE2-NH2 2.87Å
217S88.7Confident76.1Confident60 Ų6068.4 Ų68.442%0.4238%0.384SS..Hα-helixtrans-57.7-43.1177.3162.90000112.7L213 C214 F215 G221L213-S217 WeakPolarHBondContact O-CB 3.49Å; L213-S217 PolarHBondContact O-N 3.22Å; C214-S217 WeakPolarHBondContact O-CB 3.22Å; C214-S217 PolarHBondContact O-N 3.5Å; F215-S217 PolarHBondContact O-N 3.15Å; S217-G221 PolarHBondContact O-N 3.2Å
218I85.8Confident74Confident34 Ų3468.5 Ų68.517%0.17439%0.388CS..Hα-helixtrans-67.2-49.7179.3-63.5154.6000110K183 A197 L199 V210 C214 F215 E216 R220 G221 L222K183-I218 HydrophobicContact CD-CD1 3.91Å; K183-I218 HydrophobicContact CD-CG1 3.86Å; A197-I218 HydrophobicContact CB-CD1 3.65Å; L199-I218 HydrophobicContact CD2-CD1 3.42Å; L199-I218 VanDerWaalsContact CD2-CD1 3.42Å; L199-I218 HydrophobicContact CD2-CG1 4.22Å; V210-I218 HydrophobicContact CG1-CD1 4.29Å; C214-I218 VanDerWaalsContact O-CD1 3.23Å; C214-I218 WeakPolarHBondContact O-CD1 3.43Å; C214-I218 WeakPolarHBondContact O-CG1 3.43Å; C214-I218 PolarHBondContact O-N 3.06Å; F215-I218 PolarHBondContact O-N 3.23Å; E216-I218 VanDerWaalsContact C-N 3.33Å; E216-I218 PolarHBondContact O-N 3.22Å; I218-R220 PolarHBondContact O-N 3.17Å; I218-G221 PolarHBondContact O-N 3.38Å; I218-L222 PolarHBondContact O-N 3.21Å
219N82.6Confident72Confident58 Ų5872.6 Ų72.631%0.3142%0.418SS..Hα-helixtrans-72.8-30.1-175.8-62.1-7.7000112.7F215 E216 G221 L222 S223F215-N219 VanDerWaalsContact CE1-ND2 3.32Å; F215-N219 WeakPolarHBondContact CE1-ND2 3.36Å; F215-N219 WeakPolarHBondContact CE2-ND2 3.25Å; F215-N219 WeakPolarHBondContact CZ-ND2 3.27Å; F215-N219 PolarHBondContact O-N 3.04Å; E216-N219 PolarHBondContact O-N 3.29Å; N219-G221 VanDerWaalsContact C-N 3.33Å; N219-L222 PolarHBondContact O-N 3.28Å; N219-S223 PolarHBondContact O-N 3.17Å; N219-S223 PolarHBondContact O-OG 2.91Å
220R73.1Confident70Confident156 Ų15676.9 Ų76.959%0.58944%0.441SS*.Hα-helixtrans-68.7-31.1171.7-71.8169.4-173.4-90.56.8111.8E216 I218 L222 S223 S224E216-R220 WeakPolarHBondContact O-CB 3.31Å; E216-R220 WeakPolarHBondContact O-CD 3.44Å; E216-R220 WeakPolarHBondContact O-CG 3.46Å; E216-R220 PolarHBondContact O-N 3.12Å; E216-R220 IonicContact OE2-CZ 3.59Å; E216-R220 IonicContact OE2-NE 2.75Å; E216-R220 PolarHBondContact OE2-NE 3.17Å; E216-R220 VanDerWaalsContact OE2-NE 3.16Å; E216-R220 IonicContact OE2-NH2 3.16Å; E216-R220 PolarHBondContact OE2-NH2 2.87Å; I218-R220 PolarHBondContact O-N 3.17Å; R220-L222 VanDerWaalsContact C-N 3.28Å; R220-L222 PolarHBondContact O-N 3.36Å; R220-S223 PolarHBondContact O-N 3.08Å; R220-S224 WeakPolarHBondContact O-CB 3.44Å; R220-S224 PolarHBondContact O-N 3.04Å; R220-S224 PolarHBondContact O-OG 3.4Å
221G57.6Low68Low49 Ų4982.1 Ų82.151%0.50547%0.469SS..Hα-helixtrans-60.3-36.7171.700000113S217 I218 N219 S223S217-G221 PolarHBondContact O-N 3.2Å; I218-G221 PolarHBondContact O-N 3.38Å; N219-G221 VanDerWaalsContact C-N 3.33Å; G221-S223 VanDerWaalsContact C-N 3.33Å
222L53.1Low65.9Low136 Ų13687.4 Ų87.471%0.71249%0.491SS*.Hα-helixtrans-76.6-16.3172.8-71.4157.2000113.7I218 N219 R220I218-L222 PolarHBondContact O-N 3.21Å; N219-L222 PolarHBondContact O-N 3.28Å; R220-L222 VanDerWaalsContact C-N 3.28Å; R220-L222 PolarHBondContact O-N 3.36Å
223S46.3Very low64Low70 Ų7096.4 Ų96.449%0.4952%0.524SS..Hα-helixtrans-103.1-25.8-171.7-57.30000114.4N219 R220 G221 S226N219-S223 PolarHBondContact O-N 3.17Å; N219-S223 PolarHBondContact O-OG 2.91Å; R220-S223 PolarHBondContact O-N 3.08Å; G221-S223 VanDerWaalsContact C-N 3.33Å; S223-S226 PolarHBondContact O-N 2.85Å; S223-S226 PolarHBondContact O-OG 2.7Å
224S45.9Very low62.4Low98 Ų9894.7 Ų94.769%0.68552%0.521SS*.THydrogen-bonded Turntrans-82.4-11.5-172.945.60000114.6R220 S226R220-S224 WeakPolarHBondContact O-CB 3.44Å; R220-S224 PolarHBondContact O-N 3.04Å; R220-S224 PolarHBondContact O-OG 3.4Å; S224-S226 VanDerWaalsContact C-N 3.3Å
225A47.5Very low61Low85 Ų8598 Ų9870%0.70254%0.54SS*.THydrogen-bonded Turntrans-78.1-12.1169.700000113.4N227A225-N227 VanDerWaalsContact C-N 3.3Å; A225-N227 PolarHBondContact O-N 3Å; A225-N227 VanDerWaalsContact O-N 3.08Å
226S44.1Very low59.6Low32 Ų32101 Ų10122%0.22456%0.556CS.*THydrogen-bonded Turntrans-87.837.4-165.2-48.10000115.9S223 S224 N228 K232S223-S226 PolarHBondContact O-N 2.85Å; S223-S226 PolarHBondContact O-OG 2.7Å; S224-S226 VanDerWaalsContact C-N 3.3Å; S226-N228 VanDerWaalsContact C-N 3.32Å; S226-K232 VanDerWaalsContact CB-CE 3.4Å; S226-K232 WeakPolarHBondContact OG-CE 3.45Å; S226-K232 PolarHBondContact OG-NZ 2.97Å
227N41.6Very low58.6Low162 Ų162104.3 Ų104.387%0.86657%0.568SS**THydrogen-bonded Turntrans-87-1.9168.9-83.72.9000113.3A225A225-N227 VanDerWaalsContact C-N 3.3Å; A225-N227 PolarHBondContact O-N 3Å; A225-N227 VanDerWaalsContact O-N 3.08Å
228N44.9Very low57.9Low119 Ų119106.8 Ų106.864%0.63657%0.574SS**SBendtrans-94.7124.4158.4-71.2-10.5000108.7S226 E230S226-N228 VanDerWaalsContact C-N 3.32Å; N228-E230 VanDerWaalsContact C-N 3.34Å; N228-E230 PolarHBondContact O-N 3.39Å
229S49.9Very low57.3Low112 Ų112108.6 Ų108.678%0.78358%0.583SS**SBendtrans-84.72.8-166.840.40000115.4
230E52.5Low57Low164 Ų164111.7 Ų111.777%0.76660%0.596SS**SBendtrans-102-44.4-172.4-58-168.5118.400113.1N228 K232 R233N228-E230 VanDerWaalsContact C-N 3.34Å; N228-E230 PolarHBondContact O-N 3.39Å; E230-K232 VanDerWaalsContact C-N 3.29Å; E230-K232 PolarHBondContact O-N 3.47Å; E230-R233 PolarHBondContact O-N 3.3Å
231D54.9Low57.2Low109 Ų109109.5 Ų109.558%0.58360%0.596SS**THydrogen-bonded Turntrans-61.3-28.8-174-76.1-53.9000115R233 S234D231-R233 PolarHBondContact O-N 3.42Å; D231-R233 VanDerWaalsContact O-N 3.07Å; D231-S234 PolarHBondContact O-N 3.47Å; D231-S234 PolarHBondContact O-OG 2.96Å
232K50.3Low58.2Low116 Ų116115.2 Ų115.250%0.50460%0.602SS.*Hα-helixtrans-56.7-29.1179.2-97.2176.9167.5160.30113S226 E230 E236S226-K232 VanDerWaalsContact CB-CE 3.4Å; S226-K232 WeakPolarHBondContact OG-CE 3.45Å; S226-K232 PolarHBondContact OG-NZ 2.97Å; E230-K232 VanDerWaalsContact C-N 3.29Å; E230-K232 PolarHBondContact O-N 3.47Å; K232-E236 PolarHBondContact O-N 3.31Å
233R54.6Low59.4Low205 Ų205116.6 Ų116.677%0.77460%0.598SS**Hα-helixtrans-74.8-21.9179.4-71.8-175.7170.1-168.2-2.4114.1E230 D231 K237E230-R233 PolarHBondContact O-N 3.3Å; D231-R233 PolarHBondContact O-N 3.42Å; D231-R233 VanDerWaalsContact O-N 3.07Å; R233-K237 WeakPolarHBondContact O-CB 3.29Å; R233-K237 PolarHBondContact O-N 2.92Å
234S57.8Low61Low68 Ų68117.4 Ų117.448%0.47659%0.594SS.*Hα-helixtrans-76.7-49.1178.667.40000110.9D231 K237 E238D231-S234 PolarHBondContact O-N 3.47Å; D231-S234 PolarHBondContact O-OG 2.96Å; S234-K237 PolarHBondContact O-N 2.85Å; S234-E238 PolarHBondContact O-N 3.06Å
235V64.3Low62.6Low84 Ų84118.9 Ų118.951%0.50959%0.588SS.*Hα-helixtrans-67.6-38.7-176.8-176.80000112.3N239V235-N239 WeakPolarHBondContact O-CB 3.1Å; V235-N239 PolarHBondContact O-N 2.95Å; V235-N239 VanDerWaalsContact O-N 3.09Å; V235-N239 PolarHBondContact O-ND2 2.88Å
236E65.5Low64.2Low131 Ų131121 Ų12161%0.61258%0.583SS**Hα-helixtrans-64.5-41.6171.8-77.7-167.1124.200111.7K232 N239 Q240K232-E236 PolarHBondContact O-N 3.31Å; E236-N239 PolarHBondContact O-N 3.36Å; E236-Q240 WeakPolarHBondContact O-CB 3.46Å; E236-Q240 WeakPolarHBondContact O-CG 3.31Å; E236-Q240 PolarHBondContact O-N 2.98Å
237K70.9Confident66Low142 Ų142125.9 Ų125.962%0.61760%0.596SS**Hα-helixtrans-65.8-39.6179.3-172174.6-178.1-179.20112.1R233 S234 Q240 L241R233-K237 WeakPolarHBondContact O-CB 3.29Å; R233-K237 PolarHBondContact O-N 2.92Å; S234-K237 PolarHBondContact O-N 2.85Å; K237-Q240 PolarHBondContact O-N 3.41Å; K237-L241 WeakPolarHBondContact O-CB 3.39Å; K237-L241 PolarHBondContact O-N 2.94Å
238E73.1Confident67.8Low113 Ų113123.3 Ų123.353%0.52858%0.579SS.*Hα-helixtrans-65-45174.3-167.1-167.6150.300111.5S234 Q240 L241 R242S234-E238 PolarHBondContact O-N 3.06Å; E238-Q240 VanDerWaalsContact C-N 3.32Å; E238-Q240 PolarHBondContact O-N 2.87Å; E238-L241 WeakPolarHBondContact O-CB 3.33Å; E238-L241 PolarHBondContact O-N 3.46Å; E238-L241 VanDerWaalsContact O-N 3.13Å; E238-R242 WeakPolarHBondContact O-CG 3.48Å; E238-R242 PolarHBondContact O-N 2.95Å
239N74.1Confident69.6Low71 Ų71122.2 Ų122.238%0.3857%0.573SS.*Hα-helixtrans-66-33.8177.9-80.3-79.2000112.6V235 E236 R243V235-N239 WeakPolarHBondContact O-CB 3.1Å; V235-N239 PolarHBondContact O-N 2.95Å; V235-N239 VanDerWaalsContact O-N 3.09Å; V235-N239 PolarHBondContact O-ND2 2.88Å; E236-N239 PolarHBondContact O-N 3.36Å; N239-R243 WeakPolarHBondContact O-CG 3.18Å; N239-R243 PolarHBondContact O-N 3.49Å
240Q74.6Confident70.9Confident123 Ų123122.6 Ų122.658%0.57556%0.562SS**Hα-helixtrans-64.1-47.4168.2-74.9177.21.200111.1E236 K237 E238 R242 R243 E244E236-Q240 WeakPolarHBondContact O-CB 3.46Å; E236-Q240 WeakPolarHBondContact O-CG 3.31Å; E236-Q240 PolarHBondContact O-N 2.98Å; K237-Q240 PolarHBondContact O-N 3.41Å; E238-Q240 VanDerWaalsContact C-N 3.32Å; E238-Q240 PolarHBondContact O-N 2.87Å; Q240-R242 VanDerWaalsContact C-N 3.32Å; Q240-R242 PolarHBondContact O-N 3.22Å; Q240-R243 CarbonylContact O-C 3.54Å; Q240-R243 PolarHBondContact O-N 2.78Å; Q240-E244 VanDerWaalsContact O-CB 3.31Å; Q240-E244 WeakPolarHBondContact O-CB 3.41Å; Q240-E244 PolarHBondContact O-N 3.43Å
241L78.5Confident72.1Confident111 Ų111120.6 Ų120.658%0.58155%0.553SS**Hα-helixtrans-59.7-40179.7-140.787.2000112.5K237 E238 E244 K245K237-L241 WeakPolarHBondContact O-CB 3.39Å; K237-L241 PolarHBondContact O-N 2.94Å; E238-L241 WeakPolarHBondContact O-CB 3.33Å; E238-L241 PolarHBondContact O-N 3.46Å; E238-L241 VanDerWaalsContact O-N 3.13Å; L241-E244 PolarHBondContact O-N 3.24Å; L241-K245 WeakPolarHBondContact O-CB 3.49Å; L241-K245 PolarHBondContact O-N 2.95Å
242R78.2Confident73.2Confident169 Ų169120.4 Ų120.464%0.63855%0.549SS*.Hα-helixtrans-66-48.6176.6-67.2-177.784.2-175.94.8111.2E238 Q240 E244 K245 E246E238-R242 WeakPolarHBondContact O-CG 3.48Å; E238-R242 PolarHBondContact O-N 2.95Å; Q240-R242 VanDerWaalsContact C-N 3.32Å; Q240-R242 PolarHBondContact O-N 3.22Å; R242-E244 PolarHBondContact O-N 3.28Å; R242-K245 PolarHBondContact O-N 3.33Å; R242-E246 VanDerWaalsContact O-CB 3.26Å; R242-E246 WeakPolarHBondContact O-CB 3.49Å; R242-E246 PolarHBondContact O-N 3.07Å
243R78.8Confident74.4Confident165 Ų165120.9 Ų120.962%0.62355%0.553SS**Hα-helixtrans-65.4-18.7174.7-69.1175.8-175.5174.23.4113.5N239 Q240 R247N239-R243 WeakPolarHBondContact O-CG 3.18Å; N239-R243 PolarHBondContact O-N 3.49Å; Q240-R243 CarbonylContact O-C 3.54Å; Q240-R243 PolarHBondContact O-N 2.78Å; R243-R247 VanDerWaalsContact O-CG 3.31Å; R243-R247 WeakPolarHBondContact O-CG 3.47Å; R243-R247 PolarHBondContact O-N 3.05Å; R243-R247 PolarHBondContact O-NE 3.36Å
244E78.8Confident75.5Confident87 Ų87115.6 Ų115.641%0.40754%0.54SS..Hα-helixtrans-86.3-44.2174.1-171.5162.3-168.300111.8Q240 L241 R242 E246 R247 Q248Q240-E244 VanDerWaalsContact O-CB 3.31Å; Q240-E244 WeakPolarHBondContact O-CB 3.41Å; Q240-E244 PolarHBondContact O-N 3.43Å; L241-E244 PolarHBondContact O-N 3.24Å; R242-E244 PolarHBondContact O-N 3.28Å; E244-E246 VanDerWaalsContact C-N 3.26Å; E244-E246 PolarHBondContact O-N 3.27Å; E244-R247 PolarHBondContact O-N 2.89Å; E244-Q248 WeakPolarHBondContact O-CB 3.42Å; E244-Q248 VanDerWaalsContact O-CG 3.27Å; E244-Q248 WeakPolarHBondContact O-CG 3.38Å; E244-Q248 PolarHBondContact O-N 3.42Å
245K80.9Confident76.4Confident129 Ų129116.9 Ų116.956%0.56154%0.538SS*.Hα-helixtrans-60.2-36.6171-167.7171.7-176174.60111.6L241 R242 L249 E505L241-K245 WeakPolarHBondContact O-CB 3.49Å; L241-K245 PolarHBondContact O-N 2.95Å; R242-K245 PolarHBondContact O-N 3.33Å; K245-L249 WeakPolarHBondContact O-CB 3.19Å; K245-L249 PolarHBondContact O-N 3.47Å; K245-E505 IonicContact NZ-OE1 2.69Å; K245-E505 PolarHBondContact NZ-OE1 3.49Å
246E79.5Confident76.9Confident128 Ų128117.2 Ų117.260%0.59854%0.537SS*.Hα-helixtrans-66-50.7174.7-171.3168.7-144.500111.9R242 E244 Q248 L249 E250R242-E246 VanDerWaalsContact O-CB 3.26Å; R242-E246 WeakPolarHBondContact O-CB 3.49Å; R242-E246 PolarHBondContact O-N 3.07Å; E244-E246 VanDerWaalsContact C-N 3.26Å; E244-E246 PolarHBondContact O-N 3.27Å; E246-Q248 VanDerWaalsContact C-N 3.32Å; E246-Q248 PolarHBondContact O-N 3.26Å; E246-L249 WeakPolarHBondContact O-CB 3.45Å; E246-L249 PolarHBondContact O-N 3.24Å; E246-E250 WeakPolarHBondContact O-CB 3.47Å; E246-E250 PolarHBondContact O-N 2.89Å
247R82.1Confident77.4Confident135 Ų135115.7 Ų115.751%0.50953%0.533SS..Hα-helixtrans-63.2-33.5174.4-76.8177.9-64.6142.36.5113.5R243 E244 Q251R243-R247 VanDerWaalsContact O-CG 3.31Å; R243-R247 WeakPolarHBondContact O-CG 3.47Å; R243-R247 PolarHBondContact O-N 3.05Å; R243-R247 PolarHBondContact O-NE 3.36Å; E244-R247 PolarHBondContact O-N 2.89Å; R247-Q251 WeakPolarHBondContact O-CB 3.25Å; R247-Q251 VanDerWaalsContact O-CG 3.26Å; R247-Q251 WeakPolarHBondContact O-CG 3.31Å; R247-Q251 PolarHBondContact O-N 2.9Å
248Q80.8Confident77.7Confident108 Ų108115.7 Ų115.751%0.50554%0.535SS..Hα-helixtrans-69.2-38.5175.1-75174.211.400111.6E244 E246 Q252E244-Q248 WeakPolarHBondContact O-CB 3.42Å; E244-Q248 VanDerWaalsContact O-CG 3.27Å; E244-Q248 WeakPolarHBondContact O-CG 3.38Å; E244-Q248 PolarHBondContact O-N 3.42Å; E246-Q248 VanDerWaalsContact C-N 3.32Å; E246-Q248 PolarHBondContact O-N 3.26Å; Q248-Q252 WeakPolarHBondContact O-CB 3.49Å; Q248-Q252 PolarHBondContact O-N 2.88Å
249L80.9Confident77.9Confident97 Ų97114.4 Ų114.451%0.50853%0.531SS..Hα-helixtrans-65-47173.1-166.578.9000111K245 E246 Q251 Q252 E253K245-L249 WeakPolarHBondContact O-CB 3.19Å; K245-L249 PolarHBondContact O-N 3.47Å; E246-L249 WeakPolarHBondContact O-CB 3.45Å; E246-L249 PolarHBondContact O-N 3.24Å; L249-Q251 VanDerWaalsContact C-N 3.33Å; L249-Q251 PolarHBondContact O-N 3.29Å; L249-Q252 PolarHBondContact O-N 3.01Å; L249-Q252 VanDerWaalsContact O-N 3.13Å; L249-E253 WeakPolarHBondContact O-CG 3.39Å; L249-E253 PolarHBondContact O-N 2.83Å
250E78.4Confident78Confident119 Ų119113.2 Ų113.256%0.55653%0.531SS*.Hα-helixtrans-62.7-37.9178-170.8176.3-139.300111.7E246 N254E246-E250 WeakPolarHBondContact O-CB 3.47Å; E246-E250 PolarHBondContact O-N 2.89Å; E250-N254 PolarHBondContact O-N 2.68Å; E250-N254 VanDerWaalsContact O-N 3.1Å; E250-N254 PolarHBondContact O-ND2 2.8Å
251Q77.9Confident77.9Confident122 Ų122112.6 Ų112.657%0.5753%0.531SS*.Hα-helixtrans-63.9-46.2170.4-78.7176.4-18.400111.9R247 L249 E253 N254 E255R247-Q251 WeakPolarHBondContact O-CB 3.25Å; R247-Q251 VanDerWaalsContact O-CG 3.26Å; R247-Q251 WeakPolarHBondContact O-CG 3.31Å; R247-Q251 PolarHBondContact O-N 2.9Å; L249-Q251 VanDerWaalsContact C-N 3.33Å; L249-Q251 PolarHBondContact O-N 3.29Å; Q251-E253 PolarHBondContact O-N 3.04Å; Q251-N254 PolarHBondContact O-N 2.58Å; Q251-E255 WeakPolarHBondContact O-CG 3.36Å; Q251-E255 PolarHBondContact O-N 2.96Å
252Q77.5Confident77.7Confident105 Ų105110.1 Ų110.149%0.49153%0.527SS..Hα-helixtrans-62.5-40.2178.2-174.4177.8-2.900112.3Q248 L249 N254 E255 D256Q248-Q252 WeakPolarHBondContact O-CB 3.49Å; Q248-Q252 PolarHBondContact O-N 2.88Å; L249-Q252 PolarHBondContact O-N 3.01Å; L249-Q252 VanDerWaalsContact O-N 3.13Å; Q252-N254 VanDerWaalsContact C-N 3.35Å; Q252-E255 PolarHBondContact O-N 3.44Å; Q252-D256 PolarHBondContact O-N 3.13Å
253E75.5Confident77.2Confident126 Ų126105.8 Ų105.859%0.58952%0.516SS*.Hα-helixtrans-66-35.8176.2-73.4-178.3172.400112.1L249 Q251 L257L249-E253 WeakPolarHBondContact O-CG 3.39Å; L249-E253 PolarHBondContact O-N 2.83Å; Q251-E253 PolarHBondContact O-N 3.04Å; E253-L257 VanDerWaalsContact O-CB 3.23Å; E253-L257 WeakPolarHBondContact O-CB 3.47Å; E253-L257 PolarHBondContact O-N 2.66Å
254N78Confident77Confident95 Ų95101.4 Ų101.451%0.50851%0.51SS..Hα-helixtrans-70.3-40.2172.9-78.5-70.6000112.4E250 Q251 Q252 L257 E258E250-N254 PolarHBondContact O-N 2.68Å; E250-N254 VanDerWaalsContact O-N 3.1Å; E250-N254 PolarHBondContact O-ND2 2.8Å; Q251-N254 PolarHBondContact O-N 2.58Å; Q252-N254 VanDerWaalsContact C-N 3.35Å; N254-L257 PolarHBondContact O-N 3.26Å; N254-E258 WeakPolarHBondContact O-CB 3.4Å; N254-E258 PolarHBondContact O-N 2.99Å
255E76.3Confident76.6Confident95 Ų9599.8 Ų99.844%0.44451%0.512SS..Hα-helixtrans-63.5-42.8175.3-73.4177.1178.700111.7Q251 Q252 E258 L259Q251-E255 WeakPolarHBondContact O-CG 3.36Å; Q251-E255 PolarHBondContact O-N 2.96Å; Q252-E255 PolarHBondContact O-N 3.44Å; E255-E258 PolarHBondContact O-N 3.29Å; E255-L259 WeakPolarHBondContact O-CB 3.44Å; E255-L259 PolarHBondContact O-N 3.2Å
256D74.1Confident76.2Confident91 Ų9196.9 Ų96.949%0.48751%0.508SS..Hα-helixtrans-69.1-32.7176.4-126.837.6000111.6Q252 A260Q252-D256 PolarHBondContact O-N 3.13Å; D256-A260 WeakPolarHBondContact O-CB 3.42Å; D256-A260 PolarHBondContact O-N 3.07Å
257L77Confident75.9Confident99 Ų9996.9 Ų96.952%0.51851%0.508SS..Hα-helixtrans-69.3-44.6174179.162.6000112.3E253 N254 L259 A260 L261E253-L257 VanDerWaalsContact O-CB 3.23Å; E253-L257 WeakPolarHBondContact O-CB 3.47Å; E253-L257 PolarHBondContact O-N 2.66Å; N254-L257 PolarHBondContact O-N 3.26Å; L257-L259 VanDerWaalsContact C-N 3.34Å; L257-A260 PolarHBondContact O-N 3.33Å; L257-L261 HydrophobicContact CG-CD1 4.35Å; L257-L261 WeakPolarHBondContact O-CG 3.48Å; L257-L261 PolarHBondContact O-N 3.27Å
258E76.8Confident75.4Confident142 Ų14292.6 Ų92.666%0.66450%0.501SS*.Hα-helixtrans-64.3-40.1176.4-174.7165-148.900111.1N254 E255 A260 L261 A262N254-E258 WeakPolarHBondContact O-CB 3.4Å; N254-E258 PolarHBondContact O-N 2.99Å; E255-E258 PolarHBondContact O-N 3.29Å; E258-A260 PolarHBondContact O-N 2.63Å; E258-L261 PolarHBondContact O-N 2.83Å; E258-A262 WeakPolarHBondContact O-CB 3.38Å; E258-A262 PolarHBondContact O-N 3.15Å
259L76.5Confident74.9Confident85 Ų8593 Ų9345%0.44550%0.503SS..Hα-helixtrans-60.7-43171.6179.760.1000112.1E255 L257 A262 L263E255-L259 WeakPolarHBondContact O-CB 3.44Å; E255-L259 PolarHBondContact O-N 3.2Å; L257-L259 VanDerWaalsContact C-N 3.34Å; L259-A262 PolarHBondContact O-N 2.97Å; L259-L263 HydrophobicContact CD1-CD1 4.36Å; L259-L263 HydrophobicContact CD1-CG 4.41Å; L259-L263 HydrophobicContact CG-CD1 4.25Å; L259-L263 WeakPolarHBondContact O-CB 3.34Å; L259-L263 VanDerWaalsContact O-CG 3.3Å; L259-L263 WeakPolarHBondContact O-CG 3.48Å; L259-L263 PolarHBondContact O-N 2.91Å
260A76.7Confident74.3Confident46 Ų4690.4 Ų90.438%0.3849%0.493SS..Hα-helixtrans-64.2-38.6176.200000112.3D256 L257 E258 S264D256-A260 WeakPolarHBondContact O-CB 3.42Å; D256-A260 PolarHBondContact O-N 3.07Å; L257-A260 PolarHBondContact O-N 3.33Å; E258-A260 PolarHBondContact O-N 2.63Å; A260-S264 WeakPolarHBondContact O-CB 3.26Å; A260-S264 PolarHBondContact O-N 2.89Å; A260-S264 PolarHBondContact O-OG 3.28Å
261L72.4Confident74.1Confident110 Ų11088.6 Ų88.658%0.57649%0.488SS*.Hα-helixtrans-67.3-43.6175.1-72170.6000111.9L257 E258 S264 A265L257-L261 HydrophobicContact CG-CD1 4.35Å; L257-L261 WeakPolarHBondContact O-CG 3.48Å; L257-L261 PolarHBondContact O-N 3.27Å; E258-L261 PolarHBondContact O-N 2.83Å; L261-S264 PolarHBondContact O-N 2.78Å; L261-A265 WeakPolarHBondContact O-CB 3.47Å; L261-A265 PolarHBondContact O-N 3.04Å
262A73.9Confident73.7Confident59 Ų5989.6 Ų89.649%0.48849%0.49SS..Hα-helixtrans-62.8-43.1177.300000112.2E258 L259 A265 S266E258-A262 WeakPolarHBondContact O-CB 3.38Å; E258-A262 PolarHBondContact O-N 3.15Å; L259-A262 PolarHBondContact O-N 2.97Å; A262-A265 PolarHBondContact O-N 3.38Å; A262-S266 WeakPolarHBondContact O-CB 3.39Å; A262-S266 PolarHBondContact O-N 3.16Å
263L68.8Low73.2Confident79 Ų7992.9 Ų92.941%0.41450%0.498SS..Hα-helixtrans-59.6-51172.2-72.4169.2000111L259 A265 S266 E267 M523L259-L263 HydrophobicContact CD1-CD1 4.36Å; L259-L263 HydrophobicContact CD1-CG 4.41Å; L259-L263 HydrophobicContact CG-CD1 4.25Å; L259-L263 WeakPolarHBondContact O-CB 3.34Å; L259-L263 VanDerWaalsContact O-CG 3.3Å; L259-L263 WeakPolarHBondContact O-CG 3.48Å; L259-L263 PolarHBondContact O-N 2.91Å; L263-A265 VanDerWaalsContact C-N 3.32Å; L263-A265 PolarHBondContact O-N 3.07Å; L263-S266 PolarHBondContact O-N 3.48Å; L263-S266 VanDerWaalsContact O-N 3.16Å; L263-S266 PolarHBondContact O-OG 3.44Å; L263-E267 PolarHBondContact O-N 3.47Å; L263-M523 HydrophobicContact CD1-SD 4.48Å
264S74.1Confident72.5Confident72 Ų7291.1 Ų91.150%0.50349%0.492SS..Hα-helixtrans-58.3-40.6178.8-56.50000112.8A260 L261 E267 A268A260-S264 WeakPolarHBondContact O-CB 3.26Å; A260-S264 PolarHBondContact O-N 2.89Å; A260-S264 PolarHBondContact O-OG 3.28Å; L261-S264 PolarHBondContact O-N 2.78Å; S264-E267 PolarHBondContact O-N 2.89Å; S264-A268 WeakPolarHBondContact O-CB 3.47Å; S264-A268 PolarHBondContact O-N 3.27Å
265A71.3Confident71.6Confident54 Ų5491.9 Ų91.945%0.44650%0.497SS..Hα-helixtrans-64.9-46.4176.200000111.4L261 A262 L263 E267 A268 E269L261-A265 WeakPolarHBondContact O-CB 3.47Å; L261-A265 PolarHBondContact O-N 3.04Å; A262-A265 PolarHBondContact O-N 3.38Å; L263-A265 VanDerWaalsContact C-N 3.32Å; L263-A265 PolarHBondContact O-N 3.07Å; A265-E267 VanDerWaalsContact C-N 3.29Å; A265-E267 PolarHBondContact O-N 3.17Å; A265-A268 PolarHBondContact O-N 3.07Å; A265-E269 PolarHBondContact O-N 3.43Å
266S72.8Confident70.6Confident68 Ų6893.7 Ų93.748%0.47651%0.505SS..Hα-helixtrans-62.8-34.6178.4790000112.9A262 L263 S270A262-S266 WeakPolarHBondContact O-CB 3.39Å; A262-S266 PolarHBondContact O-N 3.16Å; L263-S266 PolarHBondContact O-N 3.48Å; L263-S266 VanDerWaalsContact O-N 3.16Å; L263-S266 PolarHBondContact O-OG 3.44Å; S266-S270 WeakPolarHBondContact O-CB 3.28Å; S266-S270 PolarHBondContact O-N 3.39Å
267E71.7Confident69.6Low128 Ų12894.2 Ų94.260%0.59851%0.507SS*.Hα-helixtrans-70.6-43.6174.8-173.5169.2-162.400111.5L263 S264 A265 E269 S270 N271L263-E267 PolarHBondContact O-N 3.47Å; S264-E267 PolarHBondContact O-N 2.89Å; A265-E267 VanDerWaalsContact C-N 3.29Å; A265-E267 PolarHBondContact O-N 3.17Å; E267-E269 VanDerWaalsContact C-N 3.35Å; E267-E269 PolarHBondContact O-N 2.89Å; E267-S270 PolarHBondContact O-N 3.42Å; E267-N271 WeakPolarHBondContact O-CB 3.42Å; E267-N271 PolarHBondContact O-N 3.03Å; E267-N271 PolarHBondContact O-ND2 3.39Å
268A71.8Confident68.1Low44 Ų4498 Ų9836%0.36452%0.519SS..Hα-helixtrans-61.6-39.4174.400000112.5S264 A265 N271 K272S264-A268 WeakPolarHBondContact O-CB 3.47Å; S264-A268 PolarHBondContact O-N 3.27Å; A265-A268 PolarHBondContact O-N 3.07Å; A268-N271 PolarHBondContact O-N 3.33Å; A268-K272 WeakPolarHBondContact O-CG 3.12Å; A268-K272 PolarHBondContact O-N 3.42Å
269E71.1Confident66.5Low117 Ų11795.4 Ų95.455%0.54752%0.516SS..Hα-helixtrans-70.2-41.8174.4-72.5-160.3162.600113.1A265 E267 N271 K272 R273A265-E269 PolarHBondContact O-N 3.43Å; E267-E269 VanDerWaalsContact C-N 3.35Å; E267-E269 PolarHBondContact O-N 2.89Å; E269-N271 PolarHBondContact O-N 2.86Å; E269-K272 PolarHBondContact O-N 2.96Å; E269-R273 PolarHBondContact O-N 3.06Å
270S68.3Low65Low42 Ų4296.6 Ų96.629%0.29453%0.527SS..Hα-helixtrans-55.7-42.8171.9173.30000110.6S266 E267 N274 K534S266-S270 WeakPolarHBondContact O-CB 3.28Å; S266-S270 PolarHBondContact O-N 3.39Å; E267-S270 PolarHBondContact O-N 3.42Å; S270-N274 VanDerWaalsContact O-CB 3.25Å; S270-N274 WeakPolarHBondContact O-CB 3.45Å; S270-N274 PolarHBondContact O-N 2.82Å; S270-K534 PolarHBondContact OG-NZ 3.45Å
271N73.7Confident63.5Low82 Ų82100.8 Ų100.844%0.43954%0.542SS..Hα-helixtrans-69.5-38.9177.5-73.2-29.8000112.9E267 A268 E269 N274 N275E267-N271 WeakPolarHBondContact O-CB 3.42Å; E267-N271 PolarHBondContact O-N 3.03Å; E267-N271 PolarHBondContact O-ND2 3.39Å; A268-N271 PolarHBondContact O-N 3.33Å; E269-N271 PolarHBondContact O-N 2.86Å; N271-N274 PolarHBondContact O-N 3.09Å; N271-N275 PolarHBondContact O-N 3.25Å; N271-N275 VanDerWaalsContact O-N 3.08Å
272K70.5Confident61.8Low142 Ų142102 Ų10262%0.61755%0.549SS*.Hα-helixtrans-62.4-48.6173.2-75.7172.2-176.9174.50112.3A268 E269 N274 N275 Q276A268-K272 WeakPolarHBondContact O-CG 3.12Å; A268-K272 PolarHBondContact O-N 3.42Å; E269-K272 PolarHBondContact O-N 2.96Å; K272-N274 PolarHBondContact O-N 3.14Å; K272-N275 PolarHBondContact O-N 2.86Å; K272-Q276 PolarHBondContact O-N 2.89Å
273R65.4Low60.1Low175 Ų175105.1 Ų105.166%0.6656%0.558SS**Hα-helixtrans-59.7-45176-96.1180165.4134.3-6.6111.6E269 N275 Q276 I277E269-R273 PolarHBondContact O-N 3.06Å; R273-N275 PolarHBondContact O-N 3.35Å; R273-Q276 PolarHBondContact O-N 3.13Å; R273-I277 WeakPolarHBondContact O-CB 3.38Å; R273-I277 WeakPolarHBondContact O-CD1 3.45Å; R273-I277 VanDerWaalsContact O-CG1 3.26Å; R273-I277 WeakPolarHBondContact O-CG1 3.45Å; R273-I277 PolarHBondContact O-N 3.43Å
274N62Low58.7Low89 Ų89109.2 Ų109.248%0.47658%0.58SS.*Hα-helixtrans-63.5-29.3179.4-159.726.9000112.9S270 N271 K272S270-N274 VanDerWaalsContact O-CB 3.25Å; S270-N274 WeakPolarHBondContact O-CB 3.45Å; S270-N274 PolarHBondContact O-N 2.82Å; N271-N274 PolarHBondContact O-N 3.09Å; K272-N274 PolarHBondContact O-N 3.14Å
275N58.2Low57.1Low111 Ų111115 Ų11559%0.59460%0.596SS**Hα-helixtrans-79.1-39.6172.9-74.8-16.3000113.1N271 K272 R273 K278N271-N275 PolarHBondContact O-N 3.25Å; N271-N275 VanDerWaalsContact O-N 3.08Å; K272-N275 PolarHBondContact O-N 2.86Å; R273-N275 PolarHBondContact O-N 3.35Å; N275-K278 PolarHBondContact O-N 3Å
276Q55.5Low55.8Low132 Ų132117.5 Ų117.562%0.61761%0.608SS**Hα-helixtrans-67.3-32.7175.2-88.5-175.5-26.500113.6K272 R273 K278 S279 T280K272-Q276 PolarHBondContact O-N 2.89Å; R273-Q276 PolarHBondContact O-N 3.13Å; Q276-K278 PolarHBondContact O-N 3.28Å; Q276-S279 PolarHBondContact O-N 2.93Å; Q276-S279 PolarHBondContact O-OG 3.04Å; Q276-T280 PolarHBondContact O-N 3.07Å; Q276-T280 PolarHBondContact O-OG1 2.96Å
277I54Low54.2Low102 Ų102119.4 Ų119.452%0.52362%0.621SS.*THydrogen-bonded Turntrans-62.6-25.3174.7-72.5165.5000111.5R273 S279 I281R273-I277 WeakPolarHBondContact O-CB 3.38Å; R273-I277 WeakPolarHBondContact O-CD1 3.45Å; R273-I277 VanDerWaalsContact O-CG1 3.26Å; R273-I277 WeakPolarHBondContact O-CG1 3.45Å; R273-I277 PolarHBondContact O-N 3.43Å; I277-S279 VanDerWaalsContact C-N 3.35Å; I277-I281 HydrophobicContact CG2-CD1 4.09Å
278K45.1Very low52.8Low179 Ų179118.7 Ų118.778%0.77863%0.63SS**THydrogen-bonded Turntrans-81.4-6173.5-77-176.9172.3-179.80114.8N275 Q276N275-K278 PolarHBondContact O-N 3Å; Q276-K278 PolarHBondContact O-N 3.28Å
279S43.6Very low51.3Low87 Ų87121.4 Ų121.461%0.60865%0.653SS**THydrogen-bonded Turntrans-115.6-9.1-175.763.10000114.8Q276 I277Q276-S279 PolarHBondContact O-N 2.93Å; Q276-S279 PolarHBondContact O-OG 3.04Å; I277-S279 VanDerWaalsContact C-N 3.35Å
280T44.5Very low49.7Very low110 Ų110121.4 Ų121.468%0.67567%0.666SS**SBendtrans-148.449.9-164.8-2.90000113.3Q276Q276-T280 PolarHBondContact O-N 3.07Å; Q276-T280 PolarHBondContact O-OG1 2.96Å
281I44.8Very low48.4Very low135 Ų135125.3 Ų125.369%0.69269%0.69SS**  trans-130.891164.3-56-177.7000109.1I277I277-I281 HydrophobicContact CG2-CD1 4.09Å
282N37.3Very low46.7Very low134 Ų134128.2 Ų128.272%0.71771%0.711SS**  trans-132.1141153.1-135.868.9000106.1
283D37.5Very low45Very low126 Ų126128.1 Ų128.167%0.67472%0.721SS**  trans53.484.7166.7-47.2-49000117.7
284N40.2Very low43.6Very low165 Ų165123.5 Ų123.588%0.88272%0.721SS**  -173.8153.592.2-97.1-67.6000116.8
285K39.2Very low42.4Very low194 Ų194127.2 Ų127.284%0.84374%0.735SS**  trans-67.9-179.8-167.8-111.9-157.6158.3-178.10116.7
286P44.3Very low41.4Very low106 Ų106128.7 Ų128.769%0.68874%0.742SS**  trans-132.8-166.5-13345.4-26.2000114.6
287S40Very low40.3Very low107 Ų107130.3 Ų130.375%0.74875%0.754SS**  trans178.9119.7144.1-77.70000108.2
288S42.5Very low39.8Very low114 Ų114130.1 Ų130.180%0.79776%0.76SS**  87.194.253.675.50000115.1
289A39.8Very low39.4Very low101 Ų101128.8 Ų128.884%0.83577%0.766SS**  trans-153.5166.515700000109.3
290S37Very low39.3Very low117 Ų117131.8 Ų131.882%0.81878%0.775SS**  trans-144.1161.7-174-79.70000112.4
291P41.1Very low39.3Very low123 Ų123131.8 Ų131.880%0.79977%0.771SS**  trans-93.7174.2-150.636.8-38.1000115.3
292T37.4Very low39.5Very low144 Ų144129.8 Ų129.888%0.88377%0.765SS**  trans-143.4166.6166.8-38.30000109.9
293V35.4Very low40.3Very low139 Ų139127.5 Ų127.584%0.84276%0.759SS**  trans-113143.7-162178.40000111.7
294A36Very low41.2Very low79 Ų79131 Ų13165%0.65377%0.771SS**  trans143.4152135.600000115.6
295H37.5Very low42Very low166 Ų166127.1 Ų127.177%0.76975%0.749SS**  trans59.7119.3159.6-72.5-66.4000122.6
296L36.6Very low43.3Very low143 Ų143122.5 Ų122.575%0.74973%0.734SS**  58.3117.8129.3-60.4168.7000120.6
297L33.2Very low44.5Very low165 Ų165122 Ų12286%0.86473%0.73SS**  trans43.691.3148.7-63.6176.4000118.6
298P43.6Very low45.9Very low99 Ų99124.3 Ų124.364%0.64373%0.73SS**  trans-84.4122.6147.9-6.625.4000110.2L300P298-L300 HydrophobicContact CB-CB 4.23Å; P298-L300 HydrophobicContact CB-CD1 3.7Å; P298-L300 HydrophobicContact CG-CD1 4.32Å; P298-L300 PolarHBondContact O-N 3.34Å; P298-L300 VanDerWaalsContact O-N 3.09Å
299V36.2Very low47.1Very low151 Ų151123.1 Ų123.192%0.91571%0.713SS**  trans-64.597.7140.9171.20000104.5D301V299-D301 VanDerWaalsContact C-N 3.29Å; V299-D301 PolarHBondContact O-N 2.94Å
300L41.8Very low48.6Very low150 Ų150119.3 Ų119.379%0.78568%0.682SS**  trans-81.683.8-170.1-156.874.2000110.8P298P298-L300 HydrophobicContact CB-CB 4.23Å; P298-L300 HydrophobicContact CB-CD1 3.7Å; P298-L300 HydrophobicContact CG-CD1 4.32Å; P298-L300 PolarHBondContact O-N 3.34Å; P298-L300 VanDerWaalsContact O-N 3.09Å
301D43.3Very low50.1Low110 Ų110119.7 Ų119.759%0.58867%0.671SS**  trans8.3121.3154.3-167.712.5000117.5V299 S303V299-D301 VanDerWaalsContact C-N 3.29Å; V299-D301 PolarHBondContact O-N 2.94Å; D301-S303 VanDerWaalsContact C-N 3.33Å; D301-S303 VanDerWaalsContact OD1-CB 3.23Å; D301-S303 WeakPolarHBondContact OD1-CB 3.5Å; D301-S303 PolarHBondContact OD1-N 3.31Å; D301-S303 PolarHBondContact OD1-OG 3.48Å; D301-S303 VanDerWaalsContact OD2-CB 3.3Å; D301-S303 WeakPolarHBondContact OD2-CB 3.5Å; D301-S303 PolarHBondContact OD2-OG 2.89Å
302T49.3Very low51.5Low92 Ų92120 Ų12056%0.56466%0.657SS**  trans-89.810.7174.9560000113.4E304 M305T302-E304 VanDerWaalsContact C-N 3.26Å; T302-E304 PolarHBondContact O-N 3.22Å; T302-M305 PolarHBondContact O-N 3.49Å
303S55.3Low52.7Low86 Ų86117.4 Ų117.460%0.60164%0.637SS**THydrogen-bonded Turntrans-57.5-29.1-174.760.70000115.7D301D301-S303 VanDerWaalsContact C-N 3.33Å; D301-S303 VanDerWaalsContact OD1-CB 3.23Å; D301-S303 WeakPolarHBondContact OD1-CB 3.5Å; D301-S303 PolarHBondContact OD1-N 3.31Å; D301-S303 PolarHBondContact OD1-OG 3.48Å; D301-S303 VanDerWaalsContact OD2-CB 3.3Å; D301-S303 WeakPolarHBondContact OD2-CB 3.5Å; D301-S303 PolarHBondContact OD2-OG 2.89Å
304E55.1Low54.2Low199 Ų199114.1 Ų114.193%0.9362%0.621SS**THydrogen-bonded Turntrans-944.7176.4-63.1-165.5138.800114.1T302T302-E304 VanDerWaalsContact C-N 3.26Å; T302-E304 PolarHBondContact O-N 3.22Å
305M58.4Low55.8Low84 Ų84117.8 Ų117.841%0.41462%0.618SS.*SBendtrans-100139.6-179.1-160.4177.6-5400111.5T302 L309 L313T302-M305 PolarHBondContact O-N 3.49Å; M305-L309 HydrophobicContact CG-CD2 4.35Å; M305-L309 HydrophobicContact SD-CD2 4.47Å; M305-L313 HydrophobicContact SD-CD1 4.08Å
306D65.8Low57Low98 Ų98114.3 Ų114.352%0.52460%0.601SS.*  trans-53.5124.9176.3-169.5-46.2000110.7E308 L309 A310D306-E308 PolarHBondContact O-N 3.46Å; D306-E308 PolarHBondContact OD1-N 3.04Å; D306-L309 HydrophobicContact CB-CB 4.13Å; D306-L309 PolarHBondContact O-N 2.87Å; D306-L309 VanDerWaalsContact O-N 3.11Å; D306-A310 PolarHBondContact O-N 3.14Å
307P68.3Low58.1Low95 Ų95115 Ų11562%0.61760%0.595SS**Hα-helixtrans-61.5-25.9-176.224.2-34.5000113.5Q311P307-Q311 WeakPolarHBondContact O-CG 3.37Å; P307-Q311 PolarHBondContact O-N 3.49Å; P307-Q311 VanDerWaalsContact O-N 3.1Å
308E69.5Low59.3Low156 Ų156114 Ų11473%0.72959%0.586SS**Hα-helixtrans-71.7-43.7174.7-174.2160.9-140.700111.1D306 Q311 Y312D306-E308 PolarHBondContact O-N 3.46Å; D306-E308 PolarHBondContact OD1-N 3.04Å; E308-Q311 PolarHBondContact O-N 3.02Å; E308-Y312 WeakPolarHBondContact O-CB 3.5Å; E308-Y312 PolarHBondContact O-N 2.81Å
309L69.5Low60.1Low88 Ų88118.5 Ų118.546%0.46159%0.59SS.*Hα-helixtrans-65.4-40176-176.261.9000112M305 D306 Y312 L313M305-L309 HydrophobicContact CG-CD2 4.35Å; M305-L309 HydrophobicContact SD-CD2 4.47Å; D306-L309 HydrophobicContact CB-CB 4.13Å; D306-L309 PolarHBondContact O-N 2.87Å; D306-L309 VanDerWaalsContact O-N 3.11Å; L309-Y312 PolarHBondContact O-N 2.68Å; L309-L313 HydrophobicContact CD1-CD1 4.42Å; L309-L313 HydrophobicContact CD1-CG 4.44Å; L309-L313 HydrophobicContact CG-CD1 4.18Å; L309-L313 WeakPolarHBondContact O-CG 3.43Å; L309-L313 PolarHBondContact O-N 3.43Å
310A70.9Confident61Low22 Ų22114.5 Ų114.518%0.18257%0.573CS.*Hα-helixtrans-63.4-40.5175.400000112D306 S314D306-A310 PolarHBondContact O-N 3.14Å; A310-S314 WeakPolarHBondContact O-CB 3.24Å; A310-S314 PolarHBondContact O-N 3.31Å; A310-S314 VanDerWaalsContact O-N 3.09Å; A310-S314 PolarHBondContact O-OG 3.45Å
311Q68.7Low60.9Low124 Ų124111 Ų11158%0.57956%0.555SS**Hα-helixtrans-66.3-41.2172.6-77-172.434.500112.4P307 E308 S314 R315P307-Q311 WeakPolarHBondContact O-CG 3.37Å; P307-Q311 PolarHBondContact O-N 3.49Å; P307-Q311 VanDerWaalsContact O-N 3.1Å; E308-Q311 PolarHBondContact O-N 3.02Å; Q311-S314 PolarHBondContact O-N 2.9Å; Q311-R315 VanDerWaalsContact O-CB 3.3Å; Q311-R315 WeakPolarHBondContact O-CB 3.47Å; Q311-R315 PolarHBondContact O-N 2.95Å
312Y70.9Confident60.8Low130 Ų130111.5 Ų111.551%0.5156%0.564SS.*Hα-helixtrans-59.7-52.1178-171.5-92.7000111.4E308 L309 S314 R315 H316E308-Y312 WeakPolarHBondContact O-CB 3.5Å; E308-Y312 PolarHBondContact O-N 2.81Å; L309-Y312 PolarHBondContact O-N 2.68Å; Y312-S314 VanDerWaalsContact C-N 3.33Å; Y312-S314 PolarHBondContact O-N 2.85Å; Y312-R315 PolarHBondContact O-N 3.19Å; Y312-H316 WeakPolarHBondContact O-CB 3.34Å; Y312-H316 PolarHBondContact O-N 2.99Å
313L61.5Low60.2Low89 Ų89112.4 Ų112.447%0.46657%0.574SS.*Hα-helixtrans-60.1-41.1178-70.1169.9000112.3M305 L309 H316 Y317M305-L313 HydrophobicContact SD-CD1 4.08Å; L309-L313 HydrophobicContact CD1-CD1 4.42Å; L309-L313 HydrophobicContact CD1-CG 4.44Å; L309-L313 HydrophobicContact CG-CD1 4.18Å; L309-L313 WeakPolarHBondContact O-CG 3.43Å; L309-L313 PolarHBondContact O-N 3.43Å; L313-H316 PolarHBondContact O-N 2.85Å; L313-Y317 PolarHBondContact O-N 3.42Å
314S67.1Low59.3Low70 Ų70112.2 Ų112.249%0.4957%0.573SS.*Hα-helixtrans-65-45.6177.6-59.40000112.2A310 Q311 Y312 H316 Y317 Q318A310-S314 WeakPolarHBondContact O-CB 3.24Å; A310-S314 PolarHBondContact O-N 3.31Å; A310-S314 VanDerWaalsContact O-N 3.09Å; A310-S314 PolarHBondContact O-OG 3.45Å; Q311-S314 PolarHBondContact O-N 2.9Å; Y312-S314 VanDerWaalsContact C-N 3.33Å; Y312-S314 PolarHBondContact O-N 2.85Å; S314-H316 VanDerWaalsContact C-N 3.29Å; S314-H316 PolarHBondContact O-N 2.82Å; S314-Y317 PolarHBondContact O-N 3.13Å; S314-Q318 PolarHBondContact O-N 3.13Å
315R69.1Low58.3Low156 Ų156108.7 Ų108.759%0.58957%0.565SS**Hα-helixtrans-63.7-35.3177.1-173.5-179.7-70.5166.41.1111.5Q311 Y312 R319Q311-R315 VanDerWaalsContact O-CB 3.3Å; Q311-R315 WeakPolarHBondContact O-CB 3.47Å; Q311-R315 PolarHBondContact O-N 2.95Å; Y312-R315 PolarHBondContact O-N 3.19Å; R315-R319 PolarHBondContact O-N 2.72Å
316H62.2Low57Low93 Ų93113.9 Ų113.943%0.43159%0.589SS.*Hα-helixtrans-70-39.3175.9-140.3-61.2000112.5Y312 L313 S314 R319 A320Y312-H316 WeakPolarHBondContact O-CB 3.34Å; Y312-H316 PolarHBondContact O-N 2.99Å; L313-H316 PolarHBondContact O-N 2.85Å; S314-H316 VanDerWaalsContact C-N 3.29Å; S314-H316 PolarHBondContact O-N 2.82Å; H316-R319 PolarHBondContact O-N 2.89Å; H316-A320 WeakPolarHBondContact O-CB 3.45Å; H316-A320 PolarHBondContact O-N 3.04Å
317Y60.6Low55.3Low157 Ų157116.6 Ų116.662%0.61660%0.603SS**Hα-helixtrans-62.8-42.4173.5-115.8-80.7000112.2L313 S314 A320 N321L313-Y317 PolarHBondContact O-N 3.42Å; S314-Y317 PolarHBondContact O-N 3.13Å; Y317-A320 PolarHBondContact O-N 3.35Å; Y317-N321 PolarHBondContact O-N 3.36Å; Y317-N321 VanDerWaalsContact O-N 3.14Å
318Q57.3Low53.5Low145 Ų145121.9 Ų121.968%0.67862%0.617SS**Hα-helixtrans-68.1-34.2177.6-73.8179-27.100113S314S314-Q318 PolarHBondContact O-N 3.13Å
319R61.2Low51.8Low193 Ų193120.9 Ų120.973%0.72862%0.615SS**Hα-helixtrans-68-36.6169.9-85.2-174.2171.8179.6-2.9112.9R315 H316R315-R319 PolarHBondContact O-N 2.72Å; H316-R319 PolarHBondContact O-N 2.89Å
320A55.8Low49.9Very low67 Ų67127.6 Ų127.655%0.55464%0.636SS**Hα-helixtrans-72.9-30.2-176.700000113.7H316 Y317 P322H316-A320 WeakPolarHBondContact O-CB 3.45Å; H316-A320 PolarHBondContact O-N 3.04Å; Y317-A320 PolarHBondContact O-N 3.35Å; A320-P322 WeakPolarHBondContact O-CD 3.16Å
321N40.1Very low48Very low77 Ų77134.2 Ų134.241%0.41266%0.663SS.*  trans-121.477.1-178.9-72.2-20.6000113.5Y317 S323 S324Y317-N321 PolarHBondContact O-N 3.36Å; Y317-N321 VanDerWaalsContact O-N 3.14Å; N321-S323 PolarHBondContact O-N 3.36Å; N321-S324 PolarHBondContact O-OG 2.8Å
322P41Very low46.2Very low120 Ų120135 Ų13578%0.77967%0.667SS**THydrogen-bonded Turntrans-62.4-5.9172.4-21.733.8000115.1A320A320-P322 WeakPolarHBondContact O-CD 3.16Å
323S37Very low44.3Very low111 Ų111134.9 Ų134.978%0.77668%0.675SS**THydrogen-bonded Turntrans-103.817-167.850.50000114.8N321N321-S323 PolarHBondContact O-N 3.36Å
324S35.4Very low42.8Very low82 Ų82134.6 Ų134.657%0.57368%0.681SS**SBendtrans-140.318.4-169.358.80000117.4N321N321-S324 PolarHBondContact O-OG 2.8Å
325T34.2Very low41Very low125 Ų125138.7 Ų138.777%0.76769%0.692SS**SBendtrans-147.461.3171.9-380000113.4
326Q31Very low39.2Very low193 Ų193138.2 Ų138.290%0.90270%0.696SS**  trans-145.927.1167.7-141.4172.517.400115.9
327D29.7Very low37.8Very low156 Ų156142 Ų14283%0.83471%0.714SS**  trans-116.295.7167.7-81.6-60.4000110
328F31.9Very low36.5Very low206 Ų206139.4 Ų139.490%0.90472%0.716SS**  trans-175.8143.1148.9-97.7-61000109.8
329I33.5Very low35.1Very low134 Ų134140.2 Ų140.269%0.68772%0.722SS**SBendtrans6481.6178.5-36.9177.3000114.8
330Y29.7Very low33.7Very low230 Ų230138.3 Ų138.390%0.90273%0.725SS**  -158.3170.891.4-96-67.4000110.3
331Q31.2Very low32.5Very low160 Ų160142.2 Ų142.275%0.74873%0.732SS**  trans-133.9147.5-153.8177.1176.3-26.200112.5
332E30.3Very low32.3Very low140 Ų140146.4 Ų146.465%0.65475%0.749SS**  trans75133.2161.2-93.6172.886.400121.8
333N30.4Very low31.8Very low129 Ų129146.2 Ų146.269%0.6975%0.751SS**  trans68.4148.9151.6-66.4-50.2000120.8
334S29.2Very low31.5Very low83 Ų83147.4 Ų147.458%0.5875%0.754SS**  cis-172.8146.9-34-103.90000109.5
335Q31Very low31.4Very low156 Ų156150.5 Ų150.573%0.72977%0.769SS**  trans64.4122.9151.3-69.4170.8-92.400122.1
336E31Very low31.4Very low146 Ų146152.5 Ų152.568%0.68277%0.77SS**  89.2107.8125.7-67.8171.7-14700124.6
337H32.6Very low31.9Very low172 Ų172149.2 Ų149.280%0.79677%0.765SS**  84.8161.4124.6-85.2-49.9000122.9
338P33.2Very low32.1Very low102 Ų102147.1 Ų147.166%0.66276%0.763SS**  -143.2-171.1-127.547.2-27.7000119.5
339M28Very low32.3Very low163 Ų163141.1 Ų141.180%0.80375%0.751SS**  trans86.6156151.9-75.8-159.476.300122.9
340L32.7Very low32.4Very low152 Ų152140.5 Ų140.580%0.79676%0.756SS**  trans110.3117.3177.3-64.8163.4000112.5
341Q29.5Very low32.7Very low149 Ų149137.1 Ų137.170%0.69675%0.752SS**  cis96.2110.130.8-168.5-166.380.700113.4
342Q35.4Very low32.8Very low166 Ų166140 Ų14078%0.77676%0.757SS**  trans161.1146.9132.6-90.1-177.616.900117.3
343S32Very low32.8Very low116 Ų116136.9 Ų136.981%0.81176%0.755SS**  trans81.2148.1143.7720000122.9
344T29.3Very low32.8Very low136 Ų136136.9 Ų136.983%0.83477%0.766SS**  trans-125.7147-173.649.90000111
345T34.3Very low33Very low146 Ų146137.7 Ų137.790%0.89677%0.771SS**  trans-140.1130.9164.150.50000112.6
346Q33.3Very low32.9Very low168 Ų168136.8 Ų136.879%0.78578%0.776SS**  trans-104.6140176.1-179.9-175.320.100109.1S348Q346-S348 PolarHBondContact O-N 2.76Å
347P42.1Very low33.1Very low124 Ų124135.6 Ų135.681%0.80578%0.781SS**PPolyproline II helixtrans-75.3116.6170.330-31.5000109.8
348S33.4Very low33.2Very low112 Ų112132 Ų13278%0.78378%0.776SS**PPolyproline II helixtrans-71.6135.4-171.9-52.30000113.8Q346Q346-S348 PolarHBondContact O-N 2.76Å
349A35.9Very low33.2Very low80 Ų80133.2 Ų133.266%0.66178%0.777SS**PPolyproline II helixtrans-70.1150.8157.800000110.4I351A349-I351 PolarHBondContact O-N 3.15Å
350P37Very low33.5Very low121 Ų121134.3 Ų134.379%0.78678%0.78SS**  trans-69.6114.4177.527.9-33.6000111Y352P350-Y352 PolarHBondContact O-N 2.95Å
351I35.4Very low33.5Very low158 Ų158130.9 Ų130.981%0.8178%0.781SS**  trans-74.9106.7175.9-60.1170.9000109A349 A353A349-I351 PolarHBondContact O-N 3.15Å; I351-A353 PolarHBondContact O-N 3.16Å
352Y32.4Very low33.6Very low221 Ų221130.4 Ų130.487%0.86779%0.788SS**  trans-76.796.4162.5-104.6-85.8000109.3P350 S354P350-Y352 PolarHBondContact O-N 2.95Å; Y352-S354 PolarHBondContact O-N 3.48Å
353A32Very low33.5Very low74 Ų74130.4 Ų130.461%0.61279%0.792SS**  trans-69.6120.3175.600000110.5I351 S355I351-A353 PolarHBondContact O-N 3.16Å; A353-S355 VanDerWaalsContact C-N 3.33Å; A353-S355 PolarHBondContact O-N 3.27Å
354S28.7Very low33.5Very low130 Ų130129.4 Ų129.491%0.90979%0.785SS**  trans-75.286.8166.6-73.60000109.9Y352Y352-S354 PolarHBondContact O-N 3.48Å
355S33.4Very low33.5Very low99 Ų99130 Ų13069%0.69278%0.781SS**  trans-100.8106.516956.40000109.8A353 P357A353-S355 VanDerWaalsContact C-N 3.33Å; A353-S355 PolarHBondContact O-N 3.27Å; S355-P357 WeakPolarHBondContact O-CD 3.33Å
356T30.4Very low33.3Very low137 Ų137130.1 Ų130.184%0.8478%0.777SS**PPolyproline II helixtrans-76.2124.7174.248.90000111.6
357P34.3Very low33.3Very low121 Ų121128.7 Ų128.779%0.78678%0.78SS**PPolyproline II helixtrans-101130.7161.37.214.9000109.8S355S355-P357 WeakPolarHBondContact O-CD 3.33Å
358S34Very low32.9Very low98 Ų98131.2 Ų131.269%0.68579%0.785SS**PPolyproline II helixtrans-78.4163162.862.50000110.7
359D34.8Very low32.8Very low127 Ų127135.1 Ų135.168%0.67979%0.788SS**SBendtrans71.2113.5157.3-53.7-44.2000120.3
360H33.4Very low32.8Very low186 Ų186137.2 Ų137.286%0.86180%0.798SS**  trans50.4101138.8-64.7-76.4000120.3
361G31.8Very low32.5Very low80 Ų80134.7 Ų134.783%0.82579%0.794SS**  trans-179.390.4161.300000115.8I363G361-I363 PolarHBondContact O-N 3.09Å
362T32.8Very low32.6Very low139 Ų139133.2 Ų133.285%0.85379%0.792SS**  trans-81.3109.8176.3-520000112
363I31.9Very low32.7Very low166 Ų166129.4 Ų129.485%0.85179%0.786SS**  trans-138.7134.9160.4-60-176.2000109.2G361G361-I363 PolarHBondContact O-N 3.09Å
364S32.2Very low32.8Very low95 Ų95130.4 Ų130.466%0.66479%0.789SS**  trans-97.6143.8-172.8-50.10000113.8
365I29.8Very low33Very low147 Ų147130.8 Ų130.875%0.75478%0.781SS**  trans53.4134.3132.5-64173.5000119.4
366N29.5Very low33Very low150 Ų150136.4 Ų136.480%0.80279%0.793SS**  trans6890.9166.8-66.1-21.6000118.2
367T33.3Very low33Very low138 Ų138136.9 Ų136.985%0.84779%0.79SS**  -172.1117.3123.9-77.70000110.3
368L35.4Very low33Very low176 Ų176137.1 Ų137.192%0.92179%0.789SS**  trans-175.5112.6147.8-104.8164.3000109
369K31.5Very low33.1Very low195 Ų195138.1 Ų138.185%0.84879%0.794SS**  trans-155.3150.7-179.1-157.7176.5-173.8179.80108.6
370S34.4Very low32.9Very low124 Ų124135.5 Ų135.587%0.86780%0.797SS**  trans81.9139.8-165.3-35.20000112.9
371G31.2Very low32.8Very low67 Ų67134.6 Ų134.669%0.69180%0.798SS**  cis-146.1-177.5-8.200000109.6
372V37.6Very low32.7Very low127 Ų127136 Ų13677%0.7780%0.796SS**  cis-152.2146.722.5-78.20000111.9
373N33.8Very low32.8Very low141 Ų141141.7 Ų141.775%0.75480%0.801SS**  trans39.7148.3131.2-51.57.1000120.8
374S34.3Very low32.6Very low95 Ų95139.3 Ų139.366%0.66480%0.799SS**  cis177.6153.5-11.250.20000108.8
375D32.5Very low32.8Very low138 Ų138140.4 Ų140.474%0.73881%0.807SS**  cis-169.7149.2-22.2-96.7-52.1000107.3
376F33.4Very low32.8Very low218 Ų218141.9 Ų141.996%0.95681%0.811SS**  trans-144.9129.1160.7-105-73.9000110.6
377N31.2Very low33.2Very low146 Ų146142.4 Ų142.478%0.78181%0.812SS**  trans-114.8147.6-156.3-166.2-1.6000112.7
378V35.2Very low33.1Very low126 Ų126142.6 Ų142.676%0.76481%0.808SS**  trans-133121.1178178.10000110.6
379P34.7Very low33.1Very low120 Ų120139.5 Ų139.578%0.77980%0.801SS**  trans-105.7134.3151.534-24.9000109.6
380G30.7Very low33.1Very low72 Ų72134.2 Ų134.274%0.74279%0.794SS**  cis101.111012.200000110.6
381N32.6Very low33.1Very low167 Ų167135.8 Ų135.889%0.89379%0.793SS**  trans-148.1128.7167.2-16712.2000109.4
382S29.3Very low33.2Very low110 Ų110137.5 Ų137.577%0.76979%0.794SS**  trans-108.9147.1-171.6-51.80000110.9
383R33.6Very low33Very low257 Ų257138.2 Ų138.297%0.9779%0.793SS**  trans-149.7121.2152.4-115.9171.5-170.3-161.9-0.5111.6
384S29.1Very low32.8Very low116 Ų116135.3 Ų135.381%0.81180%0.796SS**  trans-104.5140.2-178.550.20000111
385S35.2Very low32.9Very low119 Ų119137.5 Ų137.583%0.83279%0.794SS**  trans-160.5137160.748.60000109
386E31.1Very low33.1Very low178 Ų178136.8 Ų136.883%0.83280%0.795SS**  trans-85.4167.9-170.6-53.5125.2124.900113.3
387I36.5Very low33.2Very low160 Ų160132.8 Ų132.882%0.82178%0.783SS**  172.1142.3117.9-85.8155.9000111
388N32.1Very low33.4Very low142 Ų142134.1 Ų134.176%0.75979%0.79SS**  trans-55.3147.9-179.3-42.1-69.7000113.2
389S34.9Very low33.4Very low112 Ų112135.2 Ų135.278%0.78379%0.791SS**  177.2148.476.2-63.50000113.7
390A32.5Very low33.4Very low84 Ų84135.7 Ų135.769%0.69479%0.792SS**  trans57.9127.9143.700000122.9
391N33.4Very low33.5Very low157 Ų157138.2 Ų138.284%0.8480%0.798SS**  trans94.3138.3148.9-59.2-20.9000121.1
392S33.3Very low33.9Very low102 Ų102138.5 Ų138.571%0.71379%0.794SS**  trans69.8150.9164.4890000121.6
393D33.1Very low34.7Very low143 Ų143140.3 Ų140.377%0.76579%0.794SS**  trans64.572.6153.9-46-40.2000119.3K395D393-K395 VanDerWaalsContact C-N 3.27Å; D393-K395 PolarHBondContact O-N 3.4Å
394G30.7Very low35.6Very low79 Ų79131.9 Ų131.981%0.81477%0.772SS**  trans-70.868.9167.900000114.4T396G394-T396 PolarHBondContact O-N 2.85Å
395K36.3Very low36.9Very low142 Ų142132.5 Ų132.562%0.61777%0.766SS**  trans-82.595.7162.8-176174.2-179.4172.60109.3D120 D393 D397D120-K395 IonicContact OD1-NZ 2.85Å; D120-K395 PolarHBondContact OD1-NZ 2.96Å; D393-K395 VanDerWaalsContact C-N 3.27Å; D393-K395 PolarHBondContact O-N 3.4Å; K395-D397 PolarHBondContact O-N 3.45Å
396T37Very low38.1Very low123 Ų123133 Ų13376%0.75576%0.759SS**  trans-85106.6177.651.70000111.3G394 L398G394-T396 PolarHBondContact O-N 2.85Å; T396-L398 PolarHBondContact O-N 3.25Å
397D34.3Very low39.6Very low134 Ų134126.1 Ų126.172%0.71773%0.733SS**  trans-67.1114.7171.4-70.7-45000110.7K395 N399K395-D397 PolarHBondContact O-N 3.45Å; D397-N399 PolarHBondContact O-N 3.48Å
398L36.1Very low41.4Very low174 Ų174122.6 Ų122.691%0.91172%0.716SS**  trans-78.384.8176.3-92.9159.3000110.6T396T396-L398 PolarHBondContact O-N 3.25Å
399N34.4Very low43.7Very low148 Ų148120 Ų12079%0.79171%0.706SS**  trans-146141.3169.9-126.1-32.3000110.7D397D397-N399 PolarHBondContact O-N 3.48Å
400T34.9Very low45.8Very low131 Ų131122 Ų12280%0.80470%0.701SS**SBendtrans83.8131.3-168-40.30000114.5E402T400-E402 PolarHBondContact O-N 3.03Å
401S32.8Very low48.2Very low124 Ų124120 Ų12087%0.86768%0.677SS**  trans-84.6107.1-179.1-520000111.7
402E41.4Very low50.7Low174 Ų174118.1 Ų118.181%0.81366%0.663SS**  trans-105.8123159.2-67.1-163.816800109.5T400 P404T400-E402 PolarHBondContact O-N 3.03Å; E402-P404 VanDerWaalsContact O-CD 3.25Å; E402-P404 WeakPolarHBondContact O-CD 3.31Å
403I45.2Very low53.3Low148 Ų148119.9 Ų119.976%0.75966%0.66SS**PPolyproline II helixtrans-65.4116.2168-62.8171.4000106N405I403-N405 PolarHBondContact O-N 2.92Å; I403-N405 VanDerWaalsContact O-N 3.09Å
404P52.6Low55.9Low79 Ų79114.9 Ų114.951%0.51363%0.632SS.*PPolyproline II helixtrans-59.9122.1-174.7-24.935.3000109.7E402 L406 R469E402-P404 VanDerWaalsContact O-CD 3.25Å; E402-P404 WeakPolarHBondContact O-CD 3.31Å; P404-L406 PolarHBondContact O-N 3.21Å; P404-R469 PolarHBondContact O-NH2 3.21Å
405N57.5Low58.7Low129 Ų129114 Ų11469%0.6961%0.608SS**PPolyproline II helixtrans-50.6133.6-168.9-126.6-37.6000111.4I403 A407 R469I403-N405 PolarHBondContact O-N 2.92Å; I403-N405 VanDerWaalsContact O-N 3.09Å; N405-A407 VanDerWaalsContact C-N 3.27Å; N405-A407 PolarHBondContact O-N 3.19Å; N405-R469 PolarHBondContact O-NH1 2.89Å; N405-R469 PolarHBondContact O-NH2 2.98Å
406L60.3Low61.3Low130 Ų130112.2 Ų112.268%0.68161%0.606SS**SBendtrans-64.4-32.9-166-95.167.1000112.6P404P404-L406 PolarHBondContact O-N 3.21Å
407A62.9Low63.8Low34 Ų34108.9 Ų108.928%0.28159%0.59SS.*SBendtrans-127.7148.7162.800000109N405N405-A407 VanDerWaalsContact C-N 3.27Å; N405-A407 PolarHBondContact O-N 3.19Å
408N73.5Confident66.6Low86 Ų86103 Ų10346%0.4656%0.559SS.*  trans-82.3130.9165.5-168.8-30.3000107.1K410 Q411 E412N408-K410 PolarHBondContact O-N 2.96Å; N408-Q411 HydrophobicContact CB-CG 4.08Å; N408-Q411 VanDerWaalsContact CB-OE1 3.3Å; N408-Q411 WeakPolarHBondContact O-CA 3.33Å; N408-Q411 VanDerWaalsContact O-CB 3.29Å; N408-Q411 WeakPolarHBondContact O-CB 3.48Å; N408-Q411 PolarHBondContact O-N 3.49Å; N408-E412 PolarHBondContact O-N 3.28Å
409P80Confident69.3Low87 Ų87101.2 Ų101.257%0.56554%0.54SS*.Hα-helixtrans-55.5-26.9-173.517.3-32000114.3Q411 E412 E413P409-Q411 VanDerWaalsContact C-N 3.3Å; P409-Q411 PolarHBondContact O-N 3.26Å; P409-E412 PolarHBondContact O-N 3.36Å; P409-E413 WeakPolarHBondContact O-CB 3.39Å; P409-E413 PolarHBondContact O-N 2.83Å
410K80.4Confident72Confident154 Ų15495.7 Ų95.767%0.6752%0.518SS*.Hα-helixtrans-67.2-26.2173.3-62.7-177.4178.3-178.50114.1N408 F414N408-K410 PolarHBondContact O-N 2.96Å; K410-F414 WeakPolarHBondContact O-CB 3.27Å; K410-F414 PolarHBondContact O-N 2.97Å; K410-F414 VanDerWaalsContact O-N 3.11Å
411Q82.3Confident74.7Confident41 Ų4190.8 Ų90.819%0.19249%0.489CS..Hα-helixtrans-76.8-39.6175.3-64.9167-33.500110.2N408 P409 F414 L415 Y462N408-Q411 HydrophobicContact CB-CG 4.08Å; N408-Q411 VanDerWaalsContact CB-OE1 3.3Å; N408-Q411 WeakPolarHBondContact O-CA 3.33Å; N408-Q411 VanDerWaalsContact O-CB 3.29Å; N408-Q411 WeakPolarHBondContact O-CB 3.48Å; N408-Q411 PolarHBondContact O-N 3.49Å; P409-Q411 VanDerWaalsContact C-N 3.3Å; P409-Q411 PolarHBondContact O-N 3.26Å; Q411-F414 PolarHBondContact O-N 2.88Å; Q411-L415 WeakPolarHBondContact O-CB 3.38Å; Q411-L415 VanDerWaalsContact O-CG 3.23Å; Q411-L415 WeakPolarHBondContact O-CG 3.26Å; Q411-L415 PolarHBondContact O-N 3.1Å; Q411-Y462 HydrophobicContact CB-CD2 4.34Å; Q411-Y462 HydrophobicContact CB-CE2 3.86Å; Q411-Y462 HydrophobicContact CG-CD2 4.03Å; Q411-Y462 HydrophobicContact CG-CE2 3.83Å
412E85.2Confident77.5Confident118 Ų11888.7 Ų88.755%0.55147%0.467SS*.Hα-helixtrans-62.9-48.1173.4-165.8167.3-157.100110.8N408 P409 F414 L415 D416N408-E412 PolarHBondContact O-N 3.28Å; P409-E412 PolarHBondContact O-N 3.36Å; E412-F414 VanDerWaalsContact C-N 3.34Å; E412-F414 PolarHBondContact O-N 3.25Å; E412-L415 PolarHBondContact O-N 2.91Å; E412-L415 VanDerWaalsContact O-N 3.13Å; E412-D416 PolarHBondContact O-N 3.47Å
413E87.5Confident80Confident139 Ų13984.4 Ų84.465%0.6545%0.447SS*.Hα-helixtrans-56.1-42.7172.5-175.7-177.9-167.800112.8P409 A417P409-E413 WeakPolarHBondContact O-CB 3.39Å; P409-E413 PolarHBondContact O-N 2.83Å; E413-A417 VanDerWaalsContact O-CB 3.28Å; E413-A417 WeakPolarHBondContact O-CB 3.45Å; E413-A417 PolarHBondContact O-N 3.36Å
414F89.3Confident82.2Confident38 Ų3882.8 Ų82.817%0.16744%0.435CS..Hα-helixtrans-64.2-43.9174.9168.5-90.2000112.3K410 Q411 E412 A417 L418 M455 Q458 L459K410-F414 WeakPolarHBondContact O-CB 3.27Å; K410-F414 PolarHBondContact O-N 2.97Å; K410-F414 VanDerWaalsContact O-N 3.11Å; Q411-F414 PolarHBondContact O-N 2.88Å; E412-F414 VanDerWaalsContact C-N 3.34Å; E412-F414 PolarHBondContact O-N 3.25Å; F414-A417 PolarHBondContact O-N 2.88Å; F414-L418 HydrophobicContact CE1-CD2 4.04Å; F414-L418 HydrophobicContact CZ-CD2 4.21Å; F414-L418 VanDerWaalsContact O-CB 3.25Å; F414-L418 WeakPolarHBondContact O-CB 3.31Å; F414-L418 PolarHBondContact O-N 3.04Å; F414-M455 HydrophobicContact CD2-CE 3.54Å; F414-M455 HydrophobicContact CD2-SD 4.4Å; F414-M455 HydrophobicContact CE2-CB 4.4Å; F414-M455 HydrophobicContact CE2-CE 3.33Å; F414-M455 HydrophobicContact CE2-SD 3.81Å; F414-M455 HydrophobicContact CZ-CB 4.45Å; F414-M455 HydrophobicContact CZ-CE 4.19Å; F414-Q458 HydrophobicContact CE2-CB 3.78Å; F414-Q458 HydrophobicContact CZ-CB 3.66Å; F414-L459 HydrophobicContact CE1-CB 4.47Å
415L89Confident84.1Confident60 Ų6080.9 Ų80.931%0.31442%0.419SS..Hα-helixtrans-65.5-41.4179.3-71.8170.1000111.3Q411 E412 L418 R419 L459 Y462Q411-L415 WeakPolarHBondContact O-CB 3.38Å; Q411-L415 VanDerWaalsContact O-CG 3.23Å; Q411-L415 WeakPolarHBondContact O-CG 3.26Å; Q411-L415 PolarHBondContact O-N 3.1Å; E412-L415 PolarHBondContact O-N 2.91Å; E412-L415 VanDerWaalsContact O-N 3.13Å; L415-L418 PolarHBondContact O-N 3.36Å; L415-R419 WeakPolarHBondContact O-CB 3.4Å; L415-R419 PolarHBondContact O-N 3.26Å; L415-L459 HydrophobicContact CD2-CD1 4.07Å; L415-Y462 HydrophobicContact CD1-CE1 3.77Å; L415-Y462 HydrophobicContact CD2-CD1 4.24Å; L415-Y462 HydrophobicContact CD2-CE1 4.21Å; L415-Y462 HydrophobicContact CG-CE1 4.33Å
416D90.5Very high85.7Confident106 Ų10678.2 Ų78.257%0.56741%0.407SS*.Hα-helixtrans-66.8-42.6175.4-85.4-20.2000112.2E412 L418 R419 G420E412-D416 PolarHBondContact O-N 3.47Å; D416-L418 VanDerWaalsContact C-N 3.31Å; D416-L418 PolarHBondContact O-N 3.28Å; D416-R419 PolarHBondContact O-N 3.47Å; D416-G420 PolarHBondContact O-N 3.43Å
417A90.3Very high87.2Confident52 Ų5276.6 Ų76.643%0.4340%0.399SS..Hα-helixtrans-62.2-39.1174.500000112.1E413 F414 S421E413-A417 VanDerWaalsContact O-CB 3.28Å; E413-A417 WeakPolarHBondContact O-CB 3.45Å; E413-A417 PolarHBondContact O-N 3.36Å; F414-A417 PolarHBondContact O-N 2.88Å; A417-S421 VanDerWaalsContact O-CB 3.31Å; A417-S421 WeakPolarHBondContact O-CB 3.33Å; A417-S421 PolarHBondContact O-N 2.81Å; A417-S421 PolarHBondContact O-OG 2.78Å
418L91.8Very high88.5Confident12 Ų1279 Ų796%0.06340%0.401CS..Hα-helixtrans-69.2-44.5174.9-179.759.1000111.7F414 L415 D416 S421 I422 L452 M455 L459F414-L418 HydrophobicContact CE1-CD2 4.04Å; F414-L418 HydrophobicContact CZ-CD2 4.21Å; F414-L418 VanDerWaalsContact O-CB 3.25Å; F414-L418 WeakPolarHBondContact O-CB 3.31Å; F414-L418 PolarHBondContact O-N 3.04Å; L415-L418 PolarHBondContact O-N 3.36Å; D416-L418 VanDerWaalsContact C-N 3.31Å; D416-L418 PolarHBondContact O-N 3.28Å; L418-S421 WeakPolarHBondContact O-CB 3.26Å; L418-S421 PolarHBondContact O-N 3.48Å; L418-I422 HydrophobicContact CD1-CD1 4.06Å; L418-I422 HydrophobicContact CD1-CG1 4.3Å; L418-I422 HydrophobicContact CG-CD1 3.98Å; L418-I422 VanDerWaalsContact O-CG1 3.31Å; L418-I422 WeakPolarHBondContact O-CG1 3.39Å; L418-I422 PolarHBondContact O-N 3.33Å; L418-L452 HydrophobicContact CD1-CD2 3.71Å; L418-M455 HydrophobicContact CD1-CB 3.92Å; L418-L459 HydrophobicContact CD2-CB 4.11Å; L418-L459 HydrophobicContact CD2-CD1 3.96Å; L418-L459 HydrophobicContact CD2-CD2 4.06Å; L418-L459 HydrophobicContact CD2-CG 4.25Å
419R92.7Very high89.2Confident135 Ų13577.8 Ų77.851%0.50939%0.394SS..Hα-helixtrans-57.5-50.4176.4-174.9-173.7179-59.3-23.7110.8L415 D416 S421 I422 E423L415-R419 WeakPolarHBondContact O-CB 3.4Å; L415-R419 PolarHBondContact O-N 3.26Å; D416-R419 PolarHBondContact O-N 3.47Å; R419-S421 VanDerWaalsContact C-N 3.34Å; R419-S421 PolarHBondContact O-N 3.19Å; R419-I422 PolarHBondContact O-N 3.23Å; R419-E423 IonicContact CZ-OE1 3.62Å; R419-E423 IonicContact CZ-OE2 2.67Å; R419-E423 IonicContact NH1-OE1 3.23Å; R419-E423 PolarHBondContact NH1-OE1 2.72Å; R419-E423 IonicContact NH1-OE2 3.11Å; R419-E423 PolarHBondContact NH1-OE2 3.42Å; R419-E423 IonicContact NH2-OE1 2.82Å; R419-E423 PolarHBondContact NH2-OE1 3.27Å; R419-E423 WeakPolarHBondContact O-CG 3.41Å; R419-E423 PolarHBondContact O-N 2.91Å
420G92.5Very high89.7Confident33 Ų3378.5 Ų78.534%0.3439%0.39SS..Hα-helixtrans-63.3-36.417500000113.3D416 F424D416-G420 PolarHBondContact O-N 3.43Å; G420-F424 VanDerWaalsContact O-CB 3.3Å; G420-F424 WeakPolarHBondContact O-CB 3.45Å; G420-F424 PolarHBondContact O-N 3.24Å
421S90.9Very high90.1Very high28 Ų2872.6 Ų72.620%0.19637%0.368CS..Hα-helixtrans-65.6-40.4174.6-62.50000112.4A417 L418 R419 F425A417-S421 VanDerWaalsContact O-CB 3.31Å; A417-S421 WeakPolarHBondContact O-CB 3.33Å; A417-S421 PolarHBondContact O-N 2.81Å; A417-S421 PolarHBondContact O-OG 2.78Å; L418-S421 WeakPolarHBondContact O-CB 3.26Å; L418-S421 PolarHBondContact O-N 3.48Å; R419-S421 VanDerWaalsContact C-N 3.34Å; R419-S421 PolarHBondContact O-N 3.19Å; S421-F425 VanDerWaalsContact O-CB 3.25Å; S421-F425 WeakPolarHBondContact O-CB 3.3Å; S421-F425 PolarHBondContact O-N 3.26Å
422I92.9Very high90.4Very high79 Ų7970.8 Ų70.841%0.40536%0.36SS..Hα-helixtrans-67.7-47.5175.4-68.3167.6000110.3L418 R419 F424 F425 V426 L452L418-I422 HydrophobicContact CD1-CD1 4.06Å; L418-I422 HydrophobicContact CD1-CG1 4.3Å; L418-I422 HydrophobicContact CG-CD1 3.98Å; L418-I422 VanDerWaalsContact O-CG1 3.31Å; L418-I422 WeakPolarHBondContact O-CG1 3.39Å; L418-I422 PolarHBondContact O-N 3.33Å; R419-I422 PolarHBondContact O-N 3.23Å; I422-F424 VanDerWaalsContact C-N 3.35Å; I422-F424 PolarHBondContact O-N 2.85Å; I422-F425 PolarHBondContact O-N 3.19Å; I422-V426 HydrophobicContact CG2-CG2 4.3Å; I422-V426 WeakPolarHBondContact O-CB 3.32Å; I422-V426 WeakPolarHBondContact O-CG2 3.21Å; I422-V426 PolarHBondContact O-N 3.47Å; I422-L452 HydrophobicContact CG1-CD1 4.49Å; I422-L452 HydrophobicContact CG1-CD2 3.65Å
423E93.6Very high90.4Very high84 Ų8469 Ų6939%0.39336%0.36SS..Hα-helixtrans-58.8-45176.8-75.7-179152.500111.4R419 V426 N427R419-E423 IonicContact CZ-OE1 3.62Å; R419-E423 IonicContact CZ-OE2 2.67Å; R419-E423 IonicContact NH1-OE1 3.23Å; R419-E423 PolarHBondContact NH1-OE1 2.72Å; R419-E423 IonicContact NH1-OE2 3.11Å; R419-E423 PolarHBondContact NH1-OE2 3.42Å; R419-E423 IonicContact NH2-OE1 2.82Å; R419-E423 PolarHBondContact NH2-OE1 3.27Å; R419-E423 WeakPolarHBondContact O-CG 3.41Å; R419-E423 PolarHBondContact O-N 2.91Å; E423-V426 PolarHBondContact O-N 3.3Å; E423-N427 VanDerWaalsContact O-CB 3.27Å; E423-N427 WeakPolarHBondContact O-CB 3.47Å; E423-N427 VanDerWaalsContact O-CG 3.29Å; E423-N427 PolarHBondContact O-N 3.31Å; E423-N427 PolarHBondContact O-ND2 3Å
424F91.3Very high90.4Very high114 Ų11469.3 Ų69.350%0.536%0.362SS..Hα-helixtrans-66.8-39.4177.7-172.9-119.3000112.4G420 I422 R428 L448G420-F424 VanDerWaalsContact O-CB 3.3Å; G420-F424 WeakPolarHBondContact O-CB 3.45Å; G420-F424 PolarHBondContact O-N 3.24Å; I422-F424 VanDerWaalsContact C-N 3.35Å; I422-F424 PolarHBondContact O-N 2.85Å; F424-R428 VanDerWaalsContact O-CB 3.23Å; F424-R428 WeakPolarHBondContact O-CB 3.47Å; F424-R428 PolarHBondContact O-N 2.9Å; F424-L448 HydrophobicContact CD1-CD1 3.42Å; F424-L448 VanDerWaalsContact CD1-CD1 3.42Å; F424-L448 HydrophobicContact CD1-CD2 3.75Å; F424-L448 HydrophobicContact CD1-CG 4.18Å; F424-L448 HydrophobicContact CE1-CD1 3.7Å; F424-L448 HydrophobicContact CE1-CD2 4.29Å; F424-L448 HydrophobicContact CE1-CG 4.46Å; F424-L448 HydrophobicContact CG-CD1 4.4Å
425F91.6Very high90.3Very high39 Ų3975 Ų7517%0.17138%0.382CS..Hα-helixtrans-61.7-48.5174178.8-106.2000112.3S421 I422 R428 L429 V445 L448 F449 L452S421-F425 VanDerWaalsContact O-CB 3.25Å; S421-F425 WeakPolarHBondContact O-CB 3.3Å; S421-F425 PolarHBondContact O-N 3.26Å; I422-F425 PolarHBondContact O-N 3.19Å; F425-R428 PolarHBondContact O-N 3.09Å; F425-L429 HydrophobicContact CE1-CD2 4.49Å; F425-L429 VanDerWaalsContact O-CB 3.24Å; F425-L429 WeakPolarHBondContact O-CB 3.31Å; F425-L429 PolarHBondContact O-N 2.95Å; F425-V445 HydrophobicContact CD2-CG1 4.23Å; F425-V445 HydrophobicContact CE2-CG1 3.61Å; F425-V445 HydrophobicContact CZ-CG1 4.39Å; F425-L448 HydrophobicContact CB-CB 4.32Å; F425-L448 HydrophobicContact CB-CD1 4.34Å; F425-L448 HydrophobicContact CD2-CB 3.71Å; F425-L448 HydrophobicContact CD2-CD1 4.48Å; F425-L448 HydrophobicContact CG-CB 4.46Å; F425-F449 HydrophobicContact CE2-CB 4.03Å; F425-F449 HydrophobicContact CZ-CD2 4.32Å; F425-L452 HydrophobicContact CB-CD1 3.81Å; F425-L452 HydrophobicContact CD1-CD1 3.81Å; F425-L452 HydrophobicContact CD2-CD1 4.18Å; F425-L452 HydrophobicContact CE1-CD1 4.41Å; F425-L452 HydrophobicContact CG-CD1 3.68Å
426V92.2Very high90Very high74 Ų7475.4 Ų75.445%0.44840%0.401SS..Hα-helixtrans-63.5-47.5178.5171.40000111.1I422 E423 R428 L429 Q430I422-V426 HydrophobicContact CG2-CG2 4.3Å; I422-V426 WeakPolarHBondContact O-CB 3.32Å; I422-V426 WeakPolarHBondContact O-CG2 3.21Å; I422-V426 PolarHBondContact O-N 3.47Å; E423-V426 PolarHBondContact O-N 3.3Å; V426-R428 VanDerWaalsContact C-N 3.3Å; V426-R428 PolarHBondContact O-N 3.02Å; V426-L429 PolarHBondContact O-N 2.94Å; V426-Q430 WeakPolarHBondContact O-CB 3.5Å; V426-Q430 PolarHBondContact O-N 2.86Å
427N91.8Very high89.5Confident96 Ų9676.7 Ų76.751%0.51340%0.398SS..Hα-helixtrans-59.8-40.2176.8-78.7-53.7000112E423 S431E423-N427 VanDerWaalsContact O-CB 3.27Å; E423-N427 WeakPolarHBondContact O-CB 3.47Å; E423-N427 VanDerWaalsContact O-CG 3.29Å; E423-N427 PolarHBondContact O-N 3.31Å; E423-N427 PolarHBondContact O-ND2 3Å; N427-S431 WeakPolarHBondContact O-CB 3.36Å; N427-S431 PolarHBondContact O-N 2.9Å
428R89Confident89Confident85 Ų8580.4 Ų80.432%0.32141%0.411SS..Hα-helixtrans-69.6-42.6178-17067.7-174.1-152-8.9112.2F424 F425 V426 S431 N432 D442 T444 V445F424-R428 VanDerWaalsContact O-CB 3.23Å; F424-R428 WeakPolarHBondContact O-CB 3.47Å; F424-R428 PolarHBondContact O-N 2.9Å; F425-R428 PolarHBondContact O-N 3.09Å; V426-R428 VanDerWaalsContact C-N 3.3Å; V426-R428 PolarHBondContact O-N 3.02Å; R428-S431 PolarHBondContact O-N 3Å; R428-N432 PolarHBondContact O-N 3.32Å; R428-D442 IonicContact CZ-OD2 2.69Å; R428-D442 IonicContact NE-OD1 2.75Å; R428-D442 IonicContact NE-OD2 3.66Å; R428-D442 PolarHBondContact NE-OD2 2.92Å; R428-D442 IonicContact NH2-OD1 3.17Å; R428-D442 PolarHBondContact NH2-OD1 3.01Å; R428-D442 IonicContact NH2-OD2 3.65Å; R428-D442 PolarHBondContact NH2-OD2 3.4Å; R428-T444 PolarHBondContact NE-OG1 3.39Å; R428-T444 VanDerWaalsContact NE-OG1 3.14Å; R428-T444 PolarHBondContact NH2-OG1 3.39Å; R428-V445 HydrophobicContact CB-CG2 4.27Å; R428-V445 HydrophobicContact CG-CG2 3.56Å
429L89.2Confident88.4Confident59 Ų5983 Ų8331%0.30942%0.424SS..Hα-helixtrans-59.1-46.9175-174.866.1000111.1F425 V426 N432 S433 I439F425-L429 HydrophobicContact CE1-CD2 4.49Å; F425-L429 VanDerWaalsContact O-CB 3.24Å; F425-L429 WeakPolarHBondContact O-CB 3.31Å; F425-L429 PolarHBondContact O-N 2.95Å; V426-L429 PolarHBondContact O-N 2.94Å; L429-N432 PolarHBondContact O-N 3.39Å; L429-S433 WeakPolarHBondContact O-CB 3.25Å; L429-S433 PolarHBondContact O-N 3.33Å; L429-I439 HydrophobicContact CD1-CB 4.37Å; L429-I439 HydrophobicContact CD1-CD1 3.75Å; L429-I439 HydrophobicContact CD1-CG1 4Å; L429-I439 HydrophobicContact CD1-CG2 3.45Å; L429-I439 VanDerWaalsContact CD1-CG2 3.45Å
430Q90.5Very high87.9Confident103 Ų10381.3 Ų81.348%0.48143%0.433SS..Hα-helixtrans-64-44.2177.2-167179.221.200111.9V426 N432 S433 Q434V426-Q430 WeakPolarHBondContact O-CB 3.5Å; V426-Q430 PolarHBondContact O-N 2.86Å; Q430-N432 VanDerWaalsContact C-N 3.3Å; Q430-N432 PolarHBondContact O-N 3.38Å; Q430-S433 PolarHBondContact O-N 3.34Å; Q430-Q434 WeakPolarHBondContact O-CB 3.08Å; Q430-Q434 WeakPolarHBondContact O-CG 3.41Å; Q430-Q434 PolarHBondContact O-N 2.76Å
431S88.5Confident87.4Confident30 Ų3083.9 Ų83.921%0.2145%0.445CS..Hα-helixtrans-60.7-35.3175165.50000112.9N427 R428 R435N427-S431 WeakPolarHBondContact O-CB 3.36Å; N427-S431 PolarHBondContact O-N 2.9Å; R428-S431 PolarHBondContact O-N 3Å; S431-R435 WeakPolarHBondContact O-CB 3.45Å; S431-R435 VanDerWaalsContact O-CD 3.26Å; S431-R435 WeakPolarHBondContact O-CD 3.34Å; S431-R435 WeakPolarHBondContact O-CG 3.37Å; S431-R435 PolarHBondContact O-N 2.69Å; S431-R435 PolarHBondContact OG-NE 3.4Å
432N87.3Confident87.2Confident3 Ų383.2 Ų83.22%0.01644%0.44CS..Hα-helixtrans-74.8-40.6176.6-76.6-27.6000112.5R428 L429 Q430 R435 G436 R437 I439 D442R428-N432 PolarHBondContact O-N 3.32Å; L429-N432 PolarHBondContact O-N 3.39Å; Q430-N432 VanDerWaalsContact C-N 3.3Å; Q430-N432 PolarHBondContact O-N 3.38Å; N432-R435 CarbonylContact O-C 3.52Å; N432-R435 PolarHBondContact O-N 3.29Å; N432-G436 PolarHBondContact O-N 3.38Å; N432-R437 PolarHBondContact O-N 3.47Å; N432-I439 HydrophobicContact CB-CG1 4.31Å; N432-D442 WeakPolarHBondContact ND2-CB 3.41Å; N432-D442 PolarHBondContact ND2-OD2 3.39Å
433S86Confident87Confident81 Ų8184 Ų8457%0.56645%0.448SS*.Hα-helixtrans-57.2-52.5172.4-179.10000111.6L429 Q430 R435 G436L429-S433 WeakPolarHBondContact O-CB 3.25Å; L429-S433 PolarHBondContact O-N 3.33Å; Q430-S433 PolarHBondContact O-N 3.34Å; S433-R435 PolarHBondContact O-N 2.91Å; S433-R435 VanDerWaalsContact O-N 3.13Å; S433-G436 PolarHBondContact O-N 3.34Å
434Q88Confident86.8Confident145 Ų14582.2 Ų82.268%0.67844%0.443SS*.Hα-helixtrans-59.4-25.6177.5-73.8174.4-800114Q430Q430-Q434 WeakPolarHBondContact O-CB 3.08Å; Q430-Q434 WeakPolarHBondContact O-CG 3.41Å; Q430-Q434 PolarHBondContact O-N 2.76Å
435R87Confident86.8Confident156 Ų15677.2 Ų77.259%0.58942%0.422SS*.THydrogen-bonded Turntrans-95.94.2179-66.4171.7-168.8-103.36.8113.4S431 N432 S433 R437S431-R435 WeakPolarHBondContact O-CB 3.45Å; S431-R435 VanDerWaalsContact O-CD 3.26Å; S431-R435 WeakPolarHBondContact O-CD 3.34Å; S431-R435 WeakPolarHBondContact O-CG 3.37Å; S431-R435 PolarHBondContact O-N 2.69Å; S431-R435 PolarHBondContact OG-NE 3.4Å; N432-R435 CarbonylContact O-C 3.52Å; N432-R435 PolarHBondContact O-N 3.29Å; S433-R435 PolarHBondContact O-N 2.91Å; S433-R435 VanDerWaalsContact O-N 3.13Å; R435-R437 HydrophobicContact CB-CG 4.1Å; R435-R437 PolarHBondContact O-N 2.98Å
436G82Confident86.6Confident70 Ų7080.1 Ų80.172%0.72244%0.436SS*.THydrogen-bonded Turntrans61.726.8-178.400000114.1N432 S433N432-G436 PolarHBondContact O-N 3.38Å; S433-G436 PolarHBondContact O-N 3.34Å
437R80.9Confident86.6Confident132 Ų13280.7 Ų80.750%0.49844%0.44SS..  trans-94.3138.9-177.8-66.4-179.7-177161.1-3.8110.9N432 R435 I439N432-R437 PolarHBondContact O-N 3.47Å; R435-R437 HydrophobicContact CB-CG 4.1Å; R435-R437 PolarHBondContact O-N 2.98Å; R437-I439 PolarHBondContact O-N 3.18Å
438N79.8Confident86.5Confident130 Ų13077.2 Ų77.270%0.69542%0.421SS*.  trans-58.4107.5173.5-69.40.1000109.9S440 S441N438-S440 PolarHBondContact O-N 3.04Å; N438-S440 VanDerWaalsContact O-N 3.16Å; N438-S441 WeakPolarHBondContact O-CB 3.49Å; N438-S441 PolarHBondContact O-N 3.23Å; N438-S441 PolarHBondContact O-OG 2.61Å
439I79.6Confident86.6Confident67 Ų6778.6 Ų78.634%0.34443%0.43SS..G310 helixtrans-52-41.4-176.6-67.7158000111.1L429 N432 R437 S441 D442 V445L429-I439 HydrophobicContact CD1-CB 4.37Å; L429-I439 HydrophobicContact CD1-CD1 3.75Å; L429-I439 HydrophobicContact CD1-CG1 4Å; L429-I439 HydrophobicContact CD1-CG2 3.45Å; L429-I439 VanDerWaalsContact CD1-CG2 3.45Å; N432-I439 HydrophobicContact CB-CG1 4.31Å; R437-I439 PolarHBondContact O-N 3.18Å; I439-S441 PolarHBondContact O-N 3.46Å; I439-S441 VanDerWaalsContact O-N 3.08Å; I439-D442 PolarHBondContact O-N 3.44Å; I439-D442 VanDerWaalsContact O-N 3.08Å; I439-V445 HydrophobicContact CG2-CG1 4.01Å
440S81.1Confident86.6Confident100 Ų10081.6 Ų81.670%0.69945%0.446SS*.G310 helixtrans-61.9-13.6178.4-37.80000115N438 Q446N438-S440 PolarHBondContact O-N 3.04Å; N438-S440 VanDerWaalsContact O-N 3.16Å; S440-Q446 PolarHBondContact O-NE2 2.9Å
441S82.4Confident86.6Confident86 Ų8679.5 Ų79.560%0.60144%0.44SS*.G310 helixtrans-89.4-10176.369.30000114N438 I439 T443N438-S441 WeakPolarHBondContact O-CB 3.49Å; N438-S441 PolarHBondContact O-N 3.23Å; N438-S441 PolarHBondContact O-OG 2.61Å; I439-S441 PolarHBondContact O-N 3.46Å; I439-S441 VanDerWaalsContact O-N 3.08Å; S441-T443 PolarHBondContact O-N 2.98Å
442D87.1Confident86.8Confident15 Ų1579.3 Ų79.38%0.0844%0.436CS..  trans-88.8106.1-179.4-166.3-26.1000111.2R428 N432 I439 T444 V445 Q446R428-D442 IonicContact CZ-OD2 2.69Å; R428-D442 IonicContact NE-OD1 2.75Å; R428-D442 IonicContact NE-OD2 3.66Å; R428-D442 PolarHBondContact NE-OD2 2.92Å; R428-D442 IonicContact NH2-OD1 3.17Å; R428-D442 PolarHBondContact NH2-OD1 3.01Å; R428-D442 IonicContact NH2-OD2 3.65Å; R428-D442 PolarHBondContact NH2-OD2 3.4Å; N432-D442 WeakPolarHBondContact ND2-CB 3.41Å; N432-D442 PolarHBondContact ND2-OD2 3.39Å; I439-D442 PolarHBondContact O-N 3.44Å; I439-D442 VanDerWaalsContact O-N 3.08Å; D442-T444 VanDerWaalsContact CG-OG1 3.27Å; D442-T444 PolarHBondContact O-N 3.07Å; D442-T444 WeakPolarHBondContact OD1-CB 3.42Å; D442-T444 PolarHBondContact OD1-N 2.94Å; D442-T444 PolarHBondContact OD1-OG1 3.23Å; D442-T444 PolarHBondContact OD2-OG1 3.41Å; D442-V445 HydrophobicContact CB-CB 4.2Å; D442-V445 HydrophobicContact CB-CG2 3.86Å; D442-V445 PolarHBondContact O-N 2.95Å; D442-Q446 PolarHBondContact O-N 3.31Å; D442-Q446 VanDerWaalsContact O-N 3.07Å
443T89.1Confident86.9Confident94 Ų9483.1 Ų83.158%0.57746%0.457SS*.Hα-helixtrans-55.3-32.4176.751.70000112.7S441 Q446 T447S441-T443 PolarHBondContact O-N 2.98Å; T443-Q446 PolarHBondContact O-N 2.97Å; T443-T447 PolarHBondContact O-N 3.17Å; T443-T447 PolarHBondContact O-OG1 2.86Å
444T89.3Confident87.1Confident47 Ų4787.2 Ų87.229%0.28846%0.464SS..Hα-helixtrans-68.4-38.7177.665.60000111.8R428 D442 T447 L448R428-T444 PolarHBondContact NE-OG1 3.39Å; R428-T444 VanDerWaalsContact NE-OG1 3.14Å; R428-T444 PolarHBondContact NH2-OG1 3.39Å; D442-T444 VanDerWaalsContact CG-OG1 3.27Å; D442-T444 PolarHBondContact O-N 3.07Å; D442-T444 WeakPolarHBondContact OD1-CB 3.42Å; D442-T444 PolarHBondContact OD1-N 2.94Å; D442-T444 PolarHBondContact OD1-OG1 3.23Å; D442-T444 PolarHBondContact OD2-OG1 3.41Å; T444-T447 PolarHBondContact O-N 3.47Å; T444-L448 WeakPolarHBondContact O-CB 3.43Å; T444-L448 WeakPolarHBondContact O-CD1 3.22Å; T444-L448 WeakPolarHBondContact O-CG 3.45Å; T444-L448 PolarHBondContact O-N 3.01Å
445V89.8Confident87.1Confident10 Ų1082 Ų826%0.06144%0.44CS..Hα-helixtrans-67.6-40.4175.2-179.30000110.4F425 R428 I439 D442 F449F425-V445 HydrophobicContact CD2-CG1 4.23Å; F425-V445 HydrophobicContact CE2-CG1 3.61Å; F425-V445 HydrophobicContact CZ-CG1 4.39Å; R428-V445 HydrophobicContact CB-CG2 4.27Å; R428-V445 HydrophobicContact CG-CG2 3.56Å; I439-V445 HydrophobicContact CG2-CG1 4.01Å; D442-V445 HydrophobicContact CB-CB 4.2Å; D442-V445 HydrophobicContact CB-CG2 3.86Å; D442-V445 PolarHBondContact O-N 2.95Å; V445-F449 WeakPolarHBondContact O-CB 3.45Å; V445-F449 PolarHBondContact O-N 2.93Å
446Q89Confident87.3Confident99 Ų9979 Ų7946%0.46343%0.433SS..Hα-helixtrans-61.4-48.7174.4-65-179.54.400112.1S440 D442 T443 L448 F449 L450S440-Q446 PolarHBondContact O-NE2 2.9Å; D442-Q446 PolarHBondContact O-N 3.31Å; D442-Q446 VanDerWaalsContact O-N 3.07Å; T443-Q446 PolarHBondContact O-N 2.97Å; Q446-L448 PolarHBondContact O-N 3.16Å; Q446-F449 PolarHBondContact O-N 2.7Å; Q446-L450 WeakPolarHBondContact O-CG 3.46Å; Q446-L450 PolarHBondContact O-N 3.26Å
447T90.5Very high87.8Confident86 Ų8679 Ų7953%0.52842%0.42SS..Hα-helixtrans-60.9-45.6178.4-58.10000111.4T443 T444 F449 L450 T451T443-T447 PolarHBondContact O-N 3.17Å; T443-T447 PolarHBondContact O-OG1 2.86Å; T444-T447 PolarHBondContact O-N 3.47Å; T447-F449 PolarHBondContact O-N 3Å; T447-L450 PolarHBondContact O-N 3.47Å; T447-T451 PolarHBondContact O-N 3Å; T447-T451 PolarHBondContact O-OG1 3.23Å
448L90.4Very high88.1Confident23 Ų2377.5 Ų77.512%0.1242%0.419CS..Hα-helixtrans-63.7-40177.4-70.2165.8000112.2F424 F425 T444 Q446 L450 T451 L452F424-L448 HydrophobicContact CD1-CD1 3.42Å; F424-L448 VanDerWaalsContact CD1-CD1 3.42Å; F424-L448 HydrophobicContact CD1-CD2 3.75Å; F424-L448 HydrophobicContact CD1-CG 4.18Å; F424-L448 HydrophobicContact CE1-CD1 3.7Å; F424-L448 HydrophobicContact CE1-CD2 4.29Å; F424-L448 HydrophobicContact CE1-CG 4.46Å; F424-L448 HydrophobicContact CG-CD1 4.4Å; F425-L448 HydrophobicContact CB-CB 4.32Å; F425-L448 HydrophobicContact CB-CD1 4.34Å; F425-L448 HydrophobicContact CD2-CB 3.71Å; F425-L448 HydrophobicContact CD2-CD1 4.48Å; F425-L448 HydrophobicContact CG-CB 4.46Å; T444-L448 WeakPolarHBondContact O-CB 3.43Å; T444-L448 WeakPolarHBondContact O-CD1 3.22Å; T444-L448 WeakPolarHBondContact O-CG 3.45Å; T444-L448 PolarHBondContact O-N 3.01Å; Q446-L448 PolarHBondContact O-N 3.16Å; L448-L450 PolarHBondContact O-N 2.89Å; L448-T451 PolarHBondContact O-N 2.96Å; L448-L452 WeakPolarHBondContact O-CB 3.36Å; L448-L452 VanDerWaalsContact O-CG 3.29Å; L448-L452 WeakPolarHBondContact O-CG 3.3Å; L448-L452 PolarHBondContact O-N 2.9Å
449F90.4Very high88.7Confident115 Ų11574 Ų7450%0.50440%0.4SS..Hα-helixtrans-59.9-44.8174.1-179.1-106000111.4F425 V445 Q446 T447 T451 L452 N453F425-F449 HydrophobicContact CE2-CB 4.03Å; F425-F449 HydrophobicContact CZ-CD2 4.32Å; V445-F449 WeakPolarHBondContact O-CB 3.45Å; V445-F449 PolarHBondContact O-N 2.93Å; Q446-F449 PolarHBondContact O-N 2.7Å; T447-F449 PolarHBondContact O-N 3Å; F449-T451 PolarHBondContact O-N 2.94Å; F449-L452 PolarHBondContact O-N 3.27Å; F449-N453 WeakPolarHBondContact CD1-ND2 3.38Å; F449-N453 WeakPolarHBondContact CD2-ND2 3.35Å; F449-N453 VanDerWaalsContact CE1-ND2 3.29Å; F449-N453 WeakPolarHBondContact CE1-ND2 3.25Å; F449-N453 VanDerWaalsContact CE2-ND2 3.3Å; F449-N453 WeakPolarHBondContact CE2-ND2 3.11Å; F449-N453 WeakPolarHBondContact CZ-ND2 3.45Å; F449-N453 PolarHBondContact O-N 2.69Å; F449-N453 PolarHBondContact O-ND2 2.87Å
450L90.8Very high89.2Confident122 Ų12274.7 Ų74.764%0.63940%0.402SS*.Hα-helixtrans-63-41.2175.7-68170.7000112.2Q446 T447 L448 K454Q446-L450 WeakPolarHBondContact O-CG 3.46Å; Q446-L450 PolarHBondContact O-N 3.26Å; T447-L450 PolarHBondContact O-N 3.47Å; L448-L450 PolarHBondContact O-N 2.89Å; L450-K454 PolarHBondContact O-N 2.97Å; L450-K454 VanDerWaalsContact O-N 3.08Å
451T90.3Very high89.6Confident58 Ų5875 Ų7536%0.35640%0.396SS..Hα-helixtrans-62.3-48.2174.2-60.90000111.6T447 L448 F449 N453 K454 M455T447-T451 PolarHBondContact O-N 3Å; T447-T451 PolarHBondContact O-OG1 3.23Å; L448-T451 PolarHBondContact O-N 2.96Å; F449-T451 PolarHBondContact O-N 2.94Å; T451-N453 PolarHBondContact O-N 2.9Å; T451-K454 WeakPolarHBondContact O-CB 3.23Å; T451-K454 PolarHBondContact O-N 3.08Å; T451-K454 VanDerWaalsContact O-N 3.08Å; T451-M455 HydrophobicContact CG2-CG 4.31Å; T451-M455 VanDerWaalsContact O-CG 3.25Å; T451-M455 WeakPolarHBondContact O-CG 3.46Å; T451-M455 PolarHBondContact O-N 3.19Å
452L91.6Very high89.9Confident27 Ų2772.8 Ų72.814%0.14138%0.375CS..Hα-helixtrans-62.7-41179.7-70.6174000112.1L418 I422 F425 L448 F449 K454 M455 H456L418-L452 HydrophobicContact CD1-CD2 3.71Å; I422-L452 HydrophobicContact CG1-CD1 4.49Å; I422-L452 HydrophobicContact CG1-CD2 3.65Å; F425-L452 HydrophobicContact CB-CD1 3.81Å; F425-L452 HydrophobicContact CD1-CD1 3.81Å; F425-L452 HydrophobicContact CD2-CD1 4.18Å; F425-L452 HydrophobicContact CE1-CD1 4.41Å; F425-L452 HydrophobicContact CG-CD1 3.68Å; L448-L452 WeakPolarHBondContact O-CB 3.36Å; L448-L452 VanDerWaalsContact O-CG 3.29Å; L448-L452 WeakPolarHBondContact O-CG 3.3Å; L448-L452 PolarHBondContact O-N 2.9Å; F449-L452 PolarHBondContact O-N 3.27Å; L452-K454 VanDerWaalsContact C-N 3.28Å; L452-K454 PolarHBondContact O-N 3.23Å; L452-M455 PolarHBondContact O-N 2.92Å; L452-H456 WeakPolarHBondContact O-CB 3.2Å; L452-H456 PolarHBondContact O-N 3.19Å
453N90.9Very high90Very high82 Ų8276.4 Ų76.444%0.43939%0.39SS..Hα-helixtrans-62.9-33.8173.2-79.5-81.2000112.5F449 T451 P457F449-N453 WeakPolarHBondContact CD1-ND2 3.38Å; F449-N453 WeakPolarHBondContact CD2-ND2 3.35Å; F449-N453 VanDerWaalsContact CE1-ND2 3.29Å; F449-N453 WeakPolarHBondContact CE1-ND2 3.25Å; F449-N453 VanDerWaalsContact CE2-ND2 3.3Å; F449-N453 WeakPolarHBondContact CE2-ND2 3.11Å; F449-N453 WeakPolarHBondContact CZ-ND2 3.45Å; F449-N453 PolarHBondContact O-N 2.69Å; F449-N453 PolarHBondContact O-ND2 2.87Å; T451-N453 PolarHBondContact O-N 2.9Å; N453-P457 VanDerWaalsContact O-CD 3.23Å; N453-P457 WeakPolarHBondContact O-CD 3.2Å
454K90.3Very high90.1Very high168 Ų16876.5 Ų76.573%0.7338%0.384SS*.Hα-helixtrans-71.8-33.3175.2-172.2179177.5-175.50112.9L450 T451 L452L450-K454 PolarHBondContact O-N 2.97Å; L450-K454 VanDerWaalsContact O-N 3.08Å; T451-K454 WeakPolarHBondContact O-CB 3.23Å; T451-K454 PolarHBondContact O-N 3.08Å; T451-K454 VanDerWaalsContact O-N 3.08Å; L452-K454 VanDerWaalsContact C-N 3.28Å; L452-K454 PolarHBondContact O-N 3.23Å
455M88Confident90.1Very high34 Ų3479 Ų7917%0.16739%0.388CS..Hα-helixtrans-81.7-21.5178.3-59-75-8400112.5F414 L418 T451 L452 Q458 L459F414-M455 HydrophobicContact CD2-CE 3.54Å; F414-M455 HydrophobicContact CD2-SD 4.4Å; F414-M455 HydrophobicContact CE2-CB 4.4Å; F414-M455 HydrophobicContact CE2-CE 3.33Å; F414-M455 HydrophobicContact CE2-SD 3.81Å; F414-M455 HydrophobicContact CZ-CB 4.45Å; F414-M455 HydrophobicContact CZ-CE 4.19Å; L418-M455 HydrophobicContact CD1-CB 3.92Å; T451-M455 HydrophobicContact CG2-CG 4.31Å; T451-M455 VanDerWaalsContact O-CG 3.25Å; T451-M455 WeakPolarHBondContact O-CG 3.46Å; T451-M455 PolarHBondContact O-N 3.19Å; L452-M455 PolarHBondContact O-N 2.92Å; M455-Q458 PolarHBondContact O-N 2.93Å; M455-L459 PolarHBondContact O-N 3.4Å; M455-L459 VanDerWaalsContact O-N 3.07Å
456H90.4Very high89.9Confident94 Ų9481.7 Ų81.744%0.43540%0.401SS..Hα-helixtrans-61.4-43.7-174.8-178.758.9000114.7L452 Q458 L459 M460L452-H456 WeakPolarHBondContact O-CB 3.2Å; L452-H456 PolarHBondContact O-N 3.19Å; H456-Q458 VanDerWaalsContact C-N 3.33Å; H456-Q458 PolarHBondContact O-N 2.66Å; H456-L459 WeakPolarHBondContact O-CB 3.44Å; H456-L459 PolarHBondContact O-N 3.37Å; H456-M460 PolarHBondContact O-N 2.77Å; H456-M460 VanDerWaalsContact O-N 3.13Å
457P91.8Very high90Very high69 Ų6981.3 Ų81.345%0.44840%0.399SS..Hα-helixtrans-57.3-45.2172.6-25.835.1000112.3N453 L459 M460 D461N453-P457 VanDerWaalsContact O-CD 3.23Å; N453-P457 WeakPolarHBondContact O-CD 3.2Å; P457-L459 VanDerWaalsContact C-N 3.27Å; P457-L459 PolarHBondContact O-N 3.41Å; P457-M460 WeakPolarHBondContact O-CA 3.37Å; P457-M460 WeakPolarHBondContact O-CB 3.32Å; P457-M460 PolarHBondContact O-N 3.31Å; P457-D461 VanDerWaalsContact O-CG 3.24Å; P457-D461 PolarHBondContact O-N 3.24Å
458Q88.4Confident90Very high102 Ų10284 Ų8448%0.47741%0.406SS..Hα-helixtrans-63.5-31.4-179.8-60.5-175.9-46.400112.7F414 M455 H456 Y462F414-Q458 HydrophobicContact CE2-CB 3.78Å; F414-Q458 HydrophobicContact CZ-CB 3.66Å; M455-Q458 PolarHBondContact O-N 2.93Å; H456-Q458 VanDerWaalsContact C-N 3.33Å; H456-Q458 PolarHBondContact O-N 2.66Å; Q458-Y462 WeakPolarHBondContact O-CB 3.49Å; Q458-Y462 PolarHBondContact O-N 2.69Å
459L90.9Very high89.9Confident57 Ų5785 Ų8530%0.29841%0.408SS..Hα-helixtrans-67.5-41170.4179.168.2000111.9F414 L415 L418 M455 H456 P457 Y462 K463F414-L459 HydrophobicContact CE1-CB 4.47Å; L415-L459 HydrophobicContact CD2-CD1 4.07Å; L418-L459 HydrophobicContact CD2-CB 4.11Å; L418-L459 HydrophobicContact CD2-CD1 3.96Å; L418-L459 HydrophobicContact CD2-CD2 4.06Å; L418-L459 HydrophobicContact CD2-CG 4.25Å; M455-L459 PolarHBondContact O-N 3.4Å; M455-L459 VanDerWaalsContact O-N 3.07Å; H456-L459 WeakPolarHBondContact O-CB 3.44Å; H456-L459 PolarHBondContact O-N 3.37Å; P457-L459 VanDerWaalsContact C-N 3.27Å; P457-L459 PolarHBondContact O-N 3.41Å; L459-Y462 PolarHBondContact O-N 3.16Å; L459-K463 WeakPolarHBondContact O-CB 3.23Å; L459-K463 PolarHBondContact O-N 2.9Å
460M91.7Very high89.9Confident80 Ų8087.2 Ų87.239%0.39441%0.413SS..Hα-helixtrans-68.2-42.5177.9-64.4-60.9-131.600111.5H456 P457 Y462 K463 H464H456-M460 PolarHBondContact O-N 2.77Å; H456-M460 VanDerWaalsContact O-N 3.13Å; P457-M460 WeakPolarHBondContact O-CA 3.37Å; P457-M460 WeakPolarHBondContact O-CB 3.32Å; P457-M460 PolarHBondContact O-N 3.31Å; M460-Y462 VanDerWaalsContact C-N 3.33Å; M460-Y462 PolarHBondContact O-N 2.94Å; M460-K463 WeakPolarHBondContact O-CB 3.2Å; M460-K463 PolarHBondContact O-N 3.29Å; M460-H464 PolarHBondContact O-CD2 3.46Å; M460-H464 PolarHBondContact O-N 2.84Å
461D89.4Confident90Very high106 Ų10683.1 Ų83.157%0.56740%0.397SS*.Hα-helixtrans-57.8-46.5173.6-60.5-30.1000110.8P457 H464 Y465P457-D461 VanDerWaalsContact O-CG 3.24Å; P457-D461 PolarHBondContact O-N 3.24Å; D461-H464 PolarHBondContact O-N 2.89Å; D461-Y465 WeakPolarHBondContact O-CB 3.26Å; D461-Y465 PolarHBondContact O-N 3.28Å
462Y87.9Confident90Very high41 Ų4186.8 Ų86.816%0.16141%0.405CS..Hα-helixtrans-65.7-40.7176.6177.6-110.4000112.7Q411 L415 Q458 L459 M460 Y465 M466Q411-Y462 HydrophobicContact CB-CD2 4.34Å; Q411-Y462 HydrophobicContact CB-CE2 3.86Å; Q411-Y462 HydrophobicContact CG-CD2 4.03Å; Q411-Y462 HydrophobicContact CG-CE2 3.83Å; L415-Y462 HydrophobicContact CD1-CE1 3.77Å; L415-Y462 HydrophobicContact CD2-CD1 4.24Å; L415-Y462 HydrophobicContact CD2-CE1 4.21Å; L415-Y462 HydrophobicContact CG-CE1 4.33Å; Q458-Y462 WeakPolarHBondContact O-CB 3.49Å; Q458-Y462 PolarHBondContact O-N 2.69Å; L459-Y462 PolarHBondContact O-N 3.16Å; M460-Y462 VanDerWaalsContact C-N 3.33Å; M460-Y462 PolarHBondContact O-N 2.94Å; Y462-Y465 HydrophobicContact CD2-CD1 4.45Å; Y462-Y465 PolarHBondContact O-N 2.97Å; Y462-M466 HydrophobicContact CD1-CG 4.44Å; Y462-M466 HydrophobicContact CD2-CG 4.11Å; Y462-M466 HydrophobicContact CE1-CG 3.93Å; Y462-M466 HydrophobicContact CE2-CG 3.55Å; Y462-M466 HydrophobicContact CE2-SD 3.76Å; Y462-M466 VanDerWaalsContact CZ-CG 3.47Å; Y462-M466 VanDerWaalsContact O-CG 3.32Å; Y462-M466 WeakPolarHBondContact O-CG 3.46Å; Y462-M466 PolarHBondContact O-N 3.01Å
463K90Very high89.9Confident90 Ų9090.1 Ų90.139%0.39142%0.419SS..Hα-helixtrans-57.8-50174.6177.1-175.1172.8-69.80110.8L459 M460 M466 E467L459-K463 WeakPolarHBondContact O-CB 3.23Å; L459-K463 PolarHBondContact O-N 2.9Å; M460-K463 WeakPolarHBondContact O-CB 3.2Å; M460-K463 PolarHBondContact O-N 3.29Å; K463-M466 PolarHBondContact O-N 3.39Å; K463-E467 WeakPolarHBondContact CE-OE1 3.37Å; K463-E467 IonicContact NZ-OE1 2.74Å; K463-E467 PolarHBondContact NZ-OE1 3.1Å; K463-E467 IonicContact NZ-OE2 3.32Å; K463-E467 PolarHBondContact NZ-OE2 3.09Å; K463-E467 WeakPolarHBondContact O-CG 3.5Å; K463-E467 PolarHBondContact O-N 3.31Å
464H91.4Very high90.1Very high97 Ų9790 Ų9045%0.44942%0.415SS..Hα-helixtrans-64.3-42.6179.4-70.5-45.5000112.2M460 D461 M466 E467 E468M460-H464 PolarHBondContact O-CD2 3.46Å; M460-H464 PolarHBondContact O-N 2.84Å; D461-H464 PolarHBondContact O-N 2.89Å; H464-M466 VanDerWaalsContact C-N 3.29Å; H464-M466 PolarHBondContact O-N 3.45Å; H464-E467 IonicContact CE1-OE2 3.89Å; H464-E467 IonicContact ND1-OE2 2.75Å; H464-E467 PolarHBondContact ND1-OE2 2.62Å; H464-E467 VanDerWaalsContact ND1-OE2 3.16Å; H464-E467 PolarHBondContact O-N 2.88Å; H464-E467 VanDerWaalsContact O-N 3.14Å; H464-E468 WeakPolarHBondContact O-CG 3.38Å; H464-E468 PolarHBondContact O-N 2.97Å
465Y89.1Confident90.2Very high99 Ų9988.7 Ų88.739%0.38841%0.41SS..Hα-helixtrans-55.8-41.5172.7173.1-97.7000112.7D461 Y462 R469D461-Y465 WeakPolarHBondContact O-CB 3.26Å; D461-Y465 PolarHBondContact O-N 3.28Å; Y462-Y465 HydrophobicContact CD2-CD1 4.45Å; Y462-Y465 PolarHBondContact O-N 2.97Å; Y465-R469 WeakPolarHBondContact O-CB 3.34Å; Y465-R469 PolarHBondContact O-N 3.25Å; Y465-R469 PolarHBondContact OH-NH1 2.91Å
466M85.3Confident90.4Very high66 Ų6690.7 Ų90.733%0.32542%0.419SS..Hα-helixtrans-72.8-32.9177.5-66.6-62-7500112.8Y462 K463 H464 R470Y462-M466 HydrophobicContact CD1-CG 4.44Å; Y462-M466 HydrophobicContact CD2-CG 4.11Å; Y462-M466 HydrophobicContact CE1-CG 3.93Å; Y462-M466 HydrophobicContact CE2-CG 3.55Å; Y462-M466 HydrophobicContact CE2-SD 3.76Å; Y462-M466 VanDerWaalsContact CZ-CG 3.47Å; Y462-M466 VanDerWaalsContact O-CG 3.32Å; Y462-M466 WeakPolarHBondContact O-CG 3.46Å; Y462-M466 PolarHBondContact O-N 3.01Å; K463-M466 PolarHBondContact O-N 3.39Å; H464-M466 VanDerWaalsContact C-N 3.29Å; H464-M466 PolarHBondContact O-N 3.45Å; M466-R470 WeakPolarHBondContact O-CB 3.43Å; M466-R470 PolarHBondContact O-N 3.03Å
467E91.3Very high90.6Very high91 Ų9192.2 Ų92.243%0.42543%0.427SS..Hα-helixtrans-68.2-44.7173.6-73173144.400111.9K463 H464 R470 A471K463-E467 WeakPolarHBondContact CE-OE1 3.37Å; K463-E467 IonicContact NZ-OE1 2.74Å; K463-E467 PolarHBondContact NZ-OE1 3.1Å; K463-E467 IonicContact NZ-OE2 3.32Å; K463-E467 PolarHBondContact NZ-OE2 3.09Å; K463-E467 WeakPolarHBondContact O-CG 3.5Å; K463-E467 PolarHBondContact O-N 3.31Å; H464-E467 IonicContact CE1-OE2 3.89Å; H464-E467 IonicContact ND1-OE2 2.75Å; H464-E467 PolarHBondContact ND1-OE2 2.62Å; H464-E467 VanDerWaalsContact ND1-OE2 3.16Å; H464-E467 PolarHBondContact O-N 2.88Å; H464-E467 VanDerWaalsContact O-N 3.14Å; E467-R470 PolarHBondContact O-N 3.5Å; E467-A471 PolarHBondContact O-N 3.1Å
468E90.3Very high90.7Very high143 Ų14393.1 Ų93.167%0.66843%0.428SS*.Hα-helixtrans-60.8-46.1173-72.3-17816400111.7H464 R470 A471 Y472H464-E468 WeakPolarHBondContact O-CG 3.38Å; H464-E468 PolarHBondContact O-N 2.97Å; E468-R470 VanDerWaalsContact C-N 3.33Å; E468-R470 PolarHBondContact O-N 3.37Å; E468-A471 PolarHBondContact O-N 2.95Å; E468-Y472 PolarHBondContact O-N 3.13Å
469R87.2Confident91Very high43 Ų4394.4 Ų94.416%0.16243%0.432CS..Hα-helixtrans-65-35.2178.9-177.5168.8171.3166-7.6112.2P404 N405 Y465 F473P404-R469 PolarHBondContact O-NH2 3.21Å; N405-R469 PolarHBondContact O-NH1 2.89Å; N405-R469 PolarHBondContact O-NH2 2.98Å; Y465-R469 WeakPolarHBondContact O-CB 3.34Å; Y465-R469 PolarHBondContact O-N 3.25Å; Y465-R469 PolarHBondContact OH-NH1 2.91Å; R469-F473 HydrophobicContact CG-CD2 4.16Å; R469-F473 HydrophobicContact CG-CE2 3.78Å; R469-F473 WeakPolarHBondContact O-CD2 3.43Å; R469-F473 PolarHBondContact O-N 2.84Å
470R90.9Very high91.2Very high163 Ų16396.5 Ų96.562%0.61544%0.443SS*.Hα-helixtrans-62.4-51.8170.1176.8-178.2168.3172-0.4110.9M466 E467 E468 Y472 F473 E474M466-R470 WeakPolarHBondContact O-CB 3.43Å; M466-R470 PolarHBondContact O-N 3.03Å; E467-R470 PolarHBondContact O-N 3.5Å; E468-R470 VanDerWaalsContact C-N 3.33Å; E468-R470 PolarHBondContact O-N 3.37Å; R470-Y472 PolarHBondContact O-N 2.9Å; R470-F473 PolarHBondContact O-N 3.43Å; R470-E474 HydrophobicContact CG-CG 4.4Å; R470-E474 IonicContact CZ-OE1 3.14Å; R470-E474 IonicContact NE-OE1 2.65Å; R470-E474 PolarHBondContact NE-OE1 2.93Å; R470-E474 IonicContact NE-OE2 2.67Å; R470-E474 IonicContact NH2-OE1 3.92Å; R470-E474 PolarHBondContact NH2-OE1 3.23Å; R470-E474 PolarHBondContact O-N 2.87Å
471A92.6Very high91.3Very high36 Ų3695.2 Ų95.230%0.29844%0.438SS..Hα-helixtrans-61.8-29.1-179.900000112.9E467 E468 K475E467-A471 PolarHBondContact O-N 3.1Å; E468-A471 PolarHBondContact O-N 2.95Å; A471-K475 WeakPolarHBondContact O-CB 3.45Å; A471-K475 WeakPolarHBondContact O-CD 3.41Å; A471-K475 WeakPolarHBondContact O-CG 3.38Å; A471-K475 PolarHBondContact O-N 2.98Å; A471-K475 VanDerWaalsContact O-N 3.14Å
472Y90.2Very high91.6Very high134 Ų13495.8 Ų95.853%0.52544%0.437SS..Hα-helixtrans-64.7-46.8170.6176-89.8000112.3E468 R470 K475 M476E468-Y472 PolarHBondContact O-N 3.13Å; R470-Y472 PolarHBondContact O-N 2.9Å; Y472-K475 PolarHBondContact O-N 3.02Å; Y472-M476 HydrophobicContact CE1-CE 4.12Å; Y472-M476 PolarHBondContact O-N 3.45Å; Y472-M476 WeakPolarHBondContact OH-CE 3.23Å
473F90.4Very high91.9Very high98 Ų9898.1 Ų98.143%0.4345%0.451SS..Hα-helixtrans-70.8-36179-73.9-60.3000113R469 R470 M476 Q477R469-F473 HydrophobicContact CG-CD2 4.16Å; R469-F473 HydrophobicContact CG-CE2 3.78Å; R469-F473 WeakPolarHBondContact O-CD2 3.43Å; R469-F473 PolarHBondContact O-N 2.84Å; R470-F473 PolarHBondContact O-N 3.43Å; F473-M476 WeakPolarHBondContact O-CB 3.39Å; F473-M476 PolarHBondContact O-N 2.75Å; F473-M476 VanDerWaalsContact O-N 3.16Å; F473-Q477 WeakPolarHBondContact O-CB 3.47Å; F473-Q477 PolarHBondContact O-N 2.99Å
474E93.5Very high92.1Very high79 Ų7999.9 Ų99.937%0.36946%0.455SS..Hα-helixtrans-60.3-49.1172.8-71.6171.7154.800110.4R470 M476 Q477 D478R470-E474 HydrophobicContact CG-CG 4.4Å; R470-E474 IonicContact CZ-OE1 3.14Å; R470-E474 IonicContact NE-OE1 2.65Å; R470-E474 PolarHBondContact NE-OE1 2.93Å; R470-E474 IonicContact NE-OE2 2.67Å; R470-E474 IonicContact NH2-OE1 3.92Å; R470-E474 PolarHBondContact NH2-OE1 3.23Å; R470-E474 PolarHBondContact O-N 2.87Å; E474-M476 VanDerWaalsContact C-N 3.25Å; E474-M476 PolarHBondContact O-N 3.46Å; E474-Q477 WeakPolarHBondContact O-CB 3.27Å; E474-Q477 PolarHBondContact O-N 2.9Å; E474-Q477 VanDerWaalsContact O-N 3.09Å; E474-D478 PolarHBondContact O-N 3.18Å
475K93.2Very high92.3Very high141 Ų141101 Ų10161%0.61346%0.461SS*.Hα-helixtrans-59-31.9172.8-72.8169.5-176.7176.30113.8A471 Y472 K479A471-K475 WeakPolarHBondContact O-CB 3.45Å; A471-K475 WeakPolarHBondContact O-CD 3.41Å; A471-K475 WeakPolarHBondContact O-CG 3.38Å; A471-K475 PolarHBondContact O-N 2.98Å; A471-K475 VanDerWaalsContact O-N 3.14Å; Y472-K475 PolarHBondContact O-N 3.02Å; K475-K479 WeakPolarHBondContact O-CG 3.48Å; K475-K479 PolarHBondContact O-N 3.46Å
476M93.1Very high92.6Very high75 Ų7598.8 Ų98.837%0.36946%0.463SS..Hα-helixtrans-72.6-39.8175.9-169.166.174.500111.4Y472 F473 E474 K479 L480Y472-M476 HydrophobicContact CE1-CE 4.12Å; Y472-M476 PolarHBondContact O-N 3.45Å; Y472-M476 WeakPolarHBondContact OH-CE 3.23Å; F473-M476 WeakPolarHBondContact O-CB 3.39Å; F473-M476 PolarHBondContact O-N 2.75Å; F473-M476 VanDerWaalsContact O-N 3.16Å; E474-M476 VanDerWaalsContact C-N 3.25Å; E474-M476 PolarHBondContact O-N 3.46Å; M476-K479 PolarHBondContact O-N 3.26Å; M476-L480 WeakPolarHBondContact O-CG 3.39Å; M476-L480 PolarHBondContact O-N 3.11Å
477Q93.3Very high93.1Very high127 Ų127103.5 Ų103.559%0.59348%0.477SS*.Hα-helixtrans-65-41.1175.8-177.9171.8-3200111.6F473 E474 L480 N481F473-Q477 WeakPolarHBondContact O-CB 3.47Å; F473-Q477 PolarHBondContact O-N 2.99Å; E474-Q477 WeakPolarHBondContact O-CB 3.27Å; E474-Q477 PolarHBondContact O-N 2.9Å; E474-Q477 VanDerWaalsContact O-N 3.09Å; Q477-L480 PolarHBondContact O-N 2.91Å; Q477-N481 PolarHBondContact O-N 2.61Å
478D95.3Very high93.2Very high87 Ų87104.8 Ų104.847%0.46548%0.483SS..Hα-helixtrans-60.3-46.9174-66.9-26.4000111.7E474 L480 N481 Q482E474-D478 PolarHBondContact O-N 3.18Å; D478-L480 VanDerWaalsContact C-N 3.32Å; D478-L480 PolarHBondContact O-N 3.32Å; D478-N481 PolarHBondContact O-N 3.45Å; D478-N481 VanDerWaalsContact O-N 3.14Å; D478-Q482 WeakPolarHBondContact O-CG 3.47Å; D478-Q482 PolarHBondContact O-N 2.87Å
479K93.5Very high93.5Very high129 Ų129100.6 Ų100.656%0.56147%0.473SS*.Hα-helixtrans-59.4-40.3175.1-75.4178.7177.7-170.10112.5K475 M476 N481 Q482 I483K475-K479 WeakPolarHBondContact O-CG 3.48Å; K475-K479 PolarHBondContact O-N 3.46Å; M476-K479 PolarHBondContact O-N 3.26Å; K479-N481 VanDerWaalsContact C-N 3.32Å; K479-N481 PolarHBondContact O-N 3.21Å; K479-Q482 PolarHBondContact O-N 2.9Å; K479-I483 WeakPolarHBondContact O-CD1 3.36Å; K479-I483 VanDerWaalsContact O-CG1 3.26Å; K479-I483 WeakPolarHBondContact O-CG1 3.43Å; K479-I483 PolarHBondContact O-N 3.34Å
480L94.8Very high93.8Very high102 Ų102103.1 Ų103.153%0.53449%0.489SS..Hα-helixtrans-66.8-32.5176.6-72.9170.6000112.6M476 Q477 D478 R484M476-L480 WeakPolarHBondContact O-CG 3.39Å; M476-L480 PolarHBondContact O-N 3.11Å; Q477-L480 PolarHBondContact O-N 2.91Å; D478-L480 VanDerWaalsContact C-N 3.32Å; D478-L480 PolarHBondContact O-N 3.32Å; L480-R484 PolarHBondContact O-N 3.03Å
481N94.5Very high94Very high52 Ų5299.4 Ų99.428%0.27848%0.481SS..Hα-helixtrans-72.4-44.5173.3-72.3-25.6000112Q477 D478 K479 I483 R484 E485Q477-N481 PolarHBondContact O-N 2.61Å; D478-N481 PolarHBondContact O-N 3.45Å; D478-N481 VanDerWaalsContact O-N 3.14Å; K479-N481 VanDerWaalsContact C-N 3.32Å; K479-N481 PolarHBondContact O-N 3.21Å; N481-I483 VanDerWaalsContact C-N 3.28Å; N481-I483 PolarHBondContact O-N 2.94Å; N481-R484 WeakPolarHBondContact O-CA 3.47Å; N481-R484 VanDerWaalsContact O-CB 3.22Å; N481-R484 WeakPolarHBondContact O-CB 3.25Å; N481-R484 PolarHBondContact O-N 3.45Å; N481-R484 PolarHBondContact OD1-NH2 3.46Å; N481-E485 PolarHBondContact O-N 3.39Å
482Q94.9Very high94.1Very high119 Ų119100.5 Ų100.556%0.55649%0.49SS*.Hα-helixtrans-57.4-40174.2-69.3168.78.300112.2D478 K479 R484 A486D478-Q482 WeakPolarHBondContact O-CG 3.47Å; D478-Q482 PolarHBondContact O-N 2.87Å; K479-Q482 PolarHBondContact O-N 2.9Å; Q482-R484 VanDerWaalsContact C-N 3.29Å; Q482-R484 PolarHBondContact O-N 3.39Å; Q482-A486 VanDerWaalsContact O-CB 3.24Å; Q482-A486 WeakPolarHBondContact O-CB 3.43Å; Q482-A486 PolarHBondContact O-N 3.29Å
483I94.6Very high94.3Very high89 Ų8999.5 Ų99.546%0.45649%0.493SS..Hα-helixtrans-66.4-30.6175.2-69.8165.3000112K479 N481 R487K479-I483 WeakPolarHBondContact O-CD1 3.36Å; K479-I483 VanDerWaalsContact O-CG1 3.26Å; K479-I483 WeakPolarHBondContact O-CG1 3.43Å; K479-I483 PolarHBondContact O-N 3.34Å; N481-I483 VanDerWaalsContact C-N 3.28Å; N481-I483 PolarHBondContact O-N 2.94Å; I483-R487 VanDerWaalsContact O-CG 3.27Å; I483-R487 WeakPolarHBondContact O-CG 3.36Å; I483-R487 PolarHBondContact O-N 3.33Å
484R94.6Very high94.5Very high127 Ų127102.5 Ų102.548%0.47950%0.502SS..Hα-helixtrans-70.3-53.5175.4-166.1-156.6-44.9-72.2-6.9110.7L480 N481 Q482 A486 R487 E488L480-R484 PolarHBondContact O-N 3.03Å; N481-R484 WeakPolarHBondContact O-CA 3.47Å; N481-R484 VanDerWaalsContact O-CB 3.22Å; N481-R484 WeakPolarHBondContact O-CB 3.25Å; N481-R484 PolarHBondContact O-N 3.45Å; N481-R484 PolarHBondContact OD1-NH2 3.46Å; Q482-R484 VanDerWaalsContact C-N 3.29Å; Q482-R484 PolarHBondContact O-N 3.39Å; R484-A486 VanDerWaalsContact C-N 3.32Å; R484-A486 PolarHBondContact O-N 3.01Å; R484-R487 WeakPolarHBondContact O-CB 3.45Å; R484-R487 PolarHBondContact O-N 2.92Å; R484-E488 WeakPolarHBondContact CD-OE1 3.49Å; R484-E488 WeakPolarHBondContact CG-OE1 3.48Å; R484-E488 PolarHBondContact O-N 2.94Å
485E95Very high94.5Very high121 Ų121105 Ų10557%0.56551%0.514SS*.Hα-helixtrans-58-42.6178.2-68.7166-166.800111.6N481 R487 E488 A489N481-E485 PolarHBondContact O-N 3.39Å; E485-R487 VanDerWaalsContact C-N 3.32Å; E485-R487 PolarHBondContact O-N 3.05Å; E485-E488 PolarHBondContact O-N 3.2Å; E485-A489 WeakPolarHBondContact O-CB 3.3Å; E485-A489 PolarHBondContact O-N 3.01Å
486A95.3Very high94.5Very high52 Ų52101.1 Ų101.143%0.4350%0.499SS..Hα-helixtrans-63.9-33.1176.100000113.3Q482 R484 L490Q482-A486 VanDerWaalsContact O-CB 3.24Å; Q482-A486 WeakPolarHBondContact O-CB 3.43Å; Q482-A486 PolarHBondContact O-N 3.29Å; R484-A486 VanDerWaalsContact C-N 3.32Å; R484-A486 PolarHBondContact O-N 3.01Å; A486-L490 WeakPolarHBondContact O-CB 3.47Å; A486-L490 VanDerWaalsContact O-CG 3.25Å; A486-L490 WeakPolarHBondContact O-CG 3.41Å; A486-L490 PolarHBondContact O-N 3.26Å; A486-L490 VanDerWaalsContact O-N 3.07Å
487R95.6Very high94.5Very high166 Ų166103.7 Ų103.763%0.62651%0.51SS*.Hα-helixtrans-71.3-46.6173.8-74.7171.2-179.6-156.10.8111.4I483 R484 E485 A489 L490 D491I483-R487 VanDerWaalsContact O-CG 3.27Å; I483-R487 WeakPolarHBondContact O-CG 3.36Å; I483-R487 PolarHBondContact O-N 3.33Å; R484-R487 WeakPolarHBondContact O-CB 3.45Å; R484-R487 PolarHBondContact O-N 2.92Å; E485-R487 VanDerWaalsContact C-N 3.32Å; E485-R487 PolarHBondContact O-N 3.05Å; R487-A489 VanDerWaalsContact C-N 3.29Å; R487-A489 PolarHBondContact O-N 3.2Å; R487-L490 PolarHBondContact O-N 2.85Å; R487-L490 VanDerWaalsContact O-N 3.13Å; R487-D491 PolarHBondContact O-N 2.91Å
488E95Very high94.5Very high118 Ų118100.2 Ų100.255%0.55150%0.503SS*.Hα-helixtrans-59.9-40.3177.9-69.5170.3-161.900111.1R484 E485 A492R484-E488 WeakPolarHBondContact CD-OE1 3.49Å; R484-E488 WeakPolarHBondContact CG-OE1 3.48Å; R484-E488 PolarHBondContact O-N 2.94Å; E485-E488 PolarHBondContact O-N 3.2Å; E488-A492 WeakPolarHBondContact O-CB 2.98Å; E488-A492 PolarHBondContact O-N 3.19Å
489A95.7Very high94.5Very high54 Ų5498.7 Ų98.745%0.44650%0.497SS..Hα-helixtrans-65.1-42.3172.400000113.4E485 R487 A492 L493E485-A489 WeakPolarHBondContact O-CB 3.3Å; E485-A489 PolarHBondContact O-N 3.01Å; R487-A489 VanDerWaalsContact C-N 3.29Å; R487-A489 PolarHBondContact O-N 3.2Å; A489-A492 PolarHBondContact O-N 3.23Å; A489-L493 WeakPolarHBondContact O-CG 3.49Å; A489-L493 PolarHBondContact O-N 3.2Å
490L94.1Very high94.4Very high97 Ų97100.1 Ų100.151%0.50850%0.499SS..Hα-helixtrans-64.2-40.4176.4-79.9168.7000112.4A486 R487 L493 R494A486-L490 WeakPolarHBondContact O-CB 3.47Å; A486-L490 VanDerWaalsContact O-CG 3.25Å; A486-L490 WeakPolarHBondContact O-CG 3.41Å; A486-L490 PolarHBondContact O-N 3.26Å; A486-L490 VanDerWaalsContact O-N 3.07Å; R487-L490 PolarHBondContact O-N 2.85Å; R487-L490 VanDerWaalsContact O-N 3.13Å; L490-L493 PolarHBondContact O-N 3.45Å; L490-R494 WeakPolarHBondContact O-CD 3.48Å; L490-R494 VanDerWaalsContact O-CG 3.24Å; L490-R494 WeakPolarHBondContact O-CG 3.44Å; L490-R494 PolarHBondContact O-N 3.34Å
491D94.6Very high94.4Very high85 Ų85101.4 Ų101.446%0.45550%0.5SS..Hα-helixtrans-73.9-31.9178.7-71.7-32.3000112.2R487 R494 H495R487-D491 PolarHBondContact O-N 2.91Å; D491-R494 PolarHBondContact O-N 2.92Å; D491-R494 VanDerWaalsContact OD1-CD 3.25Å; D491-R494 WeakPolarHBondContact OD1-CD 3.27Å; D491-R494 IonicContact OD1-CZ 2.69Å; D491-R494 IonicContact OD1-NE 2.71Å; D491-R494 IonicContact OD1-NH1 3.71Å; D491-R494 PolarHBondContact OD1-NH1 3.08Å; D491-H495 WeakPolarHBondContact O-CB 3.37Å; D491-H495 PolarHBondContact O-N 3.11Å
492A94.4Very high94.3Very high59 Ų59104.8 Ų104.849%0.48851%0.514SS..Hα-helixtrans-62.5-45.2167.600000112.3E488 A489 R494 H495 D496E488-A492 WeakPolarHBondContact O-CB 2.98Å; E488-A492 PolarHBondContact O-N 3.19Å; A489-A492 PolarHBondContact O-N 3.23Å; A492-R494 PolarHBondContact O-N 3.47Å; A492-H495 PolarHBondContact O-N 2.89Å; A492-D496 PolarHBondContact O-N 2.95Å
493L94.9Very high94.2Very high112 Ų112102.9 Ų102.959%0.58651%0.507SS*.Hα-helixtrans-64.1-37.8175.9-73.6170.4000112.5A489 L490 H495 H497A489-L493 WeakPolarHBondContact O-CG 3.49Å; A489-L493 PolarHBondContact O-N 3.2Å; L490-L493 PolarHBondContact O-N 3.45Å; L493-H495 VanDerWaalsContact C-N 3.35Å; L493-H497 VanDerWaalsContact O-CB 3.31Å; L493-H497 WeakPolarHBondContact O-CB 3.32Å; L493-H497 PolarHBondContact O-N 2.87Å
494R94.1Very high94Very high161 Ų161105.1 Ų105.161%0.60852%0.515SS*.Hα-helixtrans-62.7-41172.9-75.1161.1169.2176.3-2.8111.9L490 D491 A492 A498L490-R494 WeakPolarHBondContact O-CD 3.48Å; L490-R494 VanDerWaalsContact O-CG 3.24Å; L490-R494 WeakPolarHBondContact O-CG 3.44Å; L490-R494 PolarHBondContact O-N 3.34Å; D491-R494 PolarHBondContact O-N 2.92Å; D491-R494 VanDerWaalsContact OD1-CD 3.25Å; D491-R494 WeakPolarHBondContact OD1-CD 3.27Å; D491-R494 IonicContact OD1-CZ 2.69Å; D491-R494 IonicContact OD1-NE 2.71Å; D491-R494 IonicContact OD1-NH1 3.71Å; D491-R494 PolarHBondContact OD1-NH1 3.08Å; A492-R494 PolarHBondContact O-N 3.47Å; R494-A498 WeakPolarHBondContact O-CB 3.3Å; R494-A498 PolarHBondContact O-N 2.99Å
495H93.9Very high93.8Very high133 Ų133103.8 Ų103.862%0.61651%0.514SS*.Hα-helixtrans-65.8-49.3177.1-175.173.2000111.8D491 A492 L493 H497 A498 V499D491-H495 WeakPolarHBondContact O-CB 3.37Å; D491-H495 PolarHBondContact O-N 3.11Å; A492-H495 PolarHBondContact O-N 2.89Å; L493-H495 VanDerWaalsContact C-N 3.35Å; H495-H497 PolarHBondContact O-N 3.02Å; H495-A498 WeakPolarHBondContact O-CB 3.33Å; H495-A498 PolarHBondContact O-N 2.75Å; H495-A498 VanDerWaalsContact O-N 3.14Å; H495-V499 WeakPolarHBondContact O-CG2 3.44Å; H495-V499 PolarHBondContact O-N 3.3Å
496D92.8Very high93.6Very high59 Ų59103.7 Ų103.732%0.31651%0.514SS..Hα-helixtrans-58.4-46.7176.117827.4000111.7A492 A498 V499 R500A492-D496 PolarHBondContact O-N 2.95Å; D496-A498 VanDerWaalsContact C-N 3.32Å; D496-A498 PolarHBondContact O-N 3.06Å; D496-V499 PolarHBondContact O-N 2.81Å; D496-R500 VanDerWaalsContact CG-NE 3.26Å; D496-R500 VanDerWaalsContact O-CG 3.32Å; D496-R500 WeakPolarHBondContact O-CG 3.19Å; D496-R500 PolarHBondContact O-N 2.87Å; D496-R500 IonicContact OD1-CZ 2.7Å; D496-R500 IonicContact OD1-NE 3.5Å; D496-R500 PolarHBondContact OD1-NE 3.42Å; D496-R500 IonicContact OD1-NH2 2.68Å; D496-R500 IonicContact OD2-CZ 2.71Å; D496-R500 VanDerWaalsContact OD2-CZ 3.23Å; D496-R500 IonicContact OD2-NE 3.81Å; D496-R500 PolarHBondContact OD2-NE 3.22Å; D496-R500 VanDerWaalsContact OD2-NE 3.11Å; D496-R500 IonicContact OD2-NH2 2.9Å; D496-R500 PolarHBondContact OD2-NH2 3.27Å
497H93.4Very high93.4Very high129 Ų129107 Ų10760%0.59752%0.521SS*.Hα-helixtrans-58.7-40.2174.3175.3-95.1000113L493 H495 K501L493-H497 VanDerWaalsContact O-CB 3.31Å; L493-H497 WeakPolarHBondContact O-CB 3.32Å; L493-H497 PolarHBondContact O-N 2.87Å; H495-H497 PolarHBondContact O-N 3.02Å; H497-K501 WeakPolarHBondContact O-CB 3.48Å; H497-K501 PolarHBondContact O-N 2.91Å
498A94Very high93.2Very high54 Ų54101 Ų10145%0.44651%0.507SS..Hα-helixtrans-65.6-41.6175.900000112.3R494 H495 D496 Q502R494-A498 WeakPolarHBondContact O-CB 3.3Å; R494-A498 PolarHBondContact O-N 2.99Å; H495-A498 WeakPolarHBondContact O-CB 3.33Å; H495-A498 PolarHBondContact O-N 2.75Å; H495-A498 VanDerWaalsContact O-N 3.14Å; D496-A498 VanDerWaalsContact C-N 3.32Å; D496-A498 PolarHBondContact O-N 3.06Å; A498-Q502 PolarHBondContact O-N 3.36Å
499V94.2Very high92.9Very high54 Ų5497.8 Ų97.833%0.32750%0.495SS..Hα-helixtrans-65.2-47.3176.3171.40000111.2H495 D496 K501 Q502 I503H495-V499 WeakPolarHBondContact O-CG2 3.44Å; H495-V499 PolarHBondContact O-N 3.3Å; D496-V499 PolarHBondContact O-N 2.81Å; V499-K501 VanDerWaalsContact C-N 3.35Å; V499-K501 PolarHBondContact O-N 3.48Å; V499-Q502 WeakPolarHBondContact O-CB 3.37Å; V499-Q502 PolarHBondContact O-N 3.48Å; V499-Q502 VanDerWaalsContact O-N 3.12Å; V499-I503 HydrophobicContact CG1-CD1 3.99Å; V499-I503 WeakPolarHBondContact O-CG1 3.4Å; V499-I503 PolarHBondContact O-N 2.79Å
500R92.9Very high92.8Very high159 Ų159103.7 Ų103.760%0.651%0.506SS*.Hα-helixtrans-56.5-47.1175.9-70.2176.7-167.1-150.19.4111.8D496 Q502 I503 E504D496-R500 VanDerWaalsContact CG-NE 3.26Å; D496-R500 VanDerWaalsContact O-CG 3.32Å; D496-R500 WeakPolarHBondContact O-CG 3.19Å; D496-R500 PolarHBondContact O-N 2.87Å; D496-R500 IonicContact OD1-CZ 2.7Å; D496-R500 IonicContact OD1-NE 3.5Å; D496-R500 PolarHBondContact OD1-NE 3.42Å; D496-R500 IonicContact OD1-NH2 2.68Å; D496-R500 IonicContact OD2-CZ 2.71Å; D496-R500 VanDerWaalsContact OD2-CZ 3.23Å; D496-R500 IonicContact OD2-NE 3.81Å; D496-R500 PolarHBondContact OD2-NE 3.22Å; D496-R500 VanDerWaalsContact OD2-NE 3.11Å; D496-R500 IonicContact OD2-NH2 2.9Å; D496-R500 PolarHBondContact OD2-NH2 3.27Å; R500-Q502 VanDerWaalsContact C-N 3.3Å; R500-Q502 PolarHBondContact O-N 2.99Å; R500-I503 PolarHBondContact O-N 3.29Å; R500-E504 PolarHBondContact O-N 3.45Å
501K93.4Very high92.6Very high130 Ų130104.2 Ų104.257%0.56551%0.507SS*.Hα-helixtrans-61.8-35.7176.9-177175.2178.9177.20112.8H497 V499 E504 E505H497-K501 WeakPolarHBondContact O-CB 3.48Å; H497-K501 PolarHBondContact O-N 2.91Å; V499-K501 VanDerWaalsContact C-N 3.35Å; V499-K501 PolarHBondContact O-N 3.48Å; K501-E504 PolarHBondContact O-N 3.37Å; K501-E505 PolarHBondContact O-N 3Å
502Q92.7Very high92.4Very high122 Ų122106.2 Ų106.257%0.5751%0.508SS*.Hα-helixtrans-68.8-38.6175.8-171.3179.6900112A498 V499 R500 Q506A498-Q502 PolarHBondContact O-N 3.36Å; V499-Q502 WeakPolarHBondContact O-CB 3.37Å; V499-Q502 PolarHBondContact O-N 3.48Å; V499-Q502 VanDerWaalsContact O-N 3.12Å; R500-Q502 VanDerWaalsContact C-N 3.3Å; R500-Q502 PolarHBondContact O-N 2.99Å; Q502-Q506 VanDerWaalsContact O-CG 3.32Å; Q502-Q506 WeakPolarHBondContact O-CG 3.3Å; Q502-Q506 PolarHBondContact O-N 2.93Å
503I92.4Very high92.1Very high80 Ų80109.5 Ų109.541%0.4151%0.513SS..Hα-helixtrans-64.4-45.3173.3-65.2165000109.9V499 R500 E505 Q506 E507V499-I503 HydrophobicContact CG1-CD1 3.99Å; V499-I503 WeakPolarHBondContact O-CG1 3.4Å; V499-I503 PolarHBondContact O-N 2.79Å; R500-I503 PolarHBondContact O-N 3.29Å; I503-E505 PolarHBondContact O-N 2.99Å; I503-Q506 WeakPolarHBondContact O-CB 3.45Å; I503-Q506 PolarHBondContact O-N 3.35Å; I503-Q506 VanDerWaalsContact O-N 3.12Å; I503-E507 HydrophobicContact CG2-CG 4.33Å; I503-E507 PolarHBondContact O-N 3.16Å
504E91.2Very high92Very high135 Ų135107.6 Ų107.663%0.63150%0.503SS*.Hα-helixtrans-61.2-41.9178.3-168.8-178.6-175.500112.7R500 K501 Q506 E507 A508R500-E504 PolarHBondContact O-N 3.45Å; K501-E504 PolarHBondContact O-N 3.37Å; E504-Q506 VanDerWaalsContact C-N 3.31Å; E504-Q506 PolarHBondContact O-N 3.32Å; E504-E507 PolarHBondContact O-N 2.95Å; E504-A508 WeakPolarHBondContact O-CB 3.49Å; E504-A508 PolarHBondContact O-N 3.44Å
505E89.8Confident91.7Very high99 Ų99105.4 Ų105.446%0.46350%0.5SS..Hα-helixtrans-65.9-32.8175-172.4170.6-169.200112.2K245 K501 I503 T509K245-E505 IonicContact NZ-OE1 2.69Å; K245-E505 PolarHBondContact NZ-OE1 3.49Å; K501-E505 PolarHBondContact O-N 3Å; I503-E505 PolarHBondContact O-N 2.99Å; E505-T509 VanDerWaalsContact O-CB 3.28Å; E505-T509 WeakPolarHBondContact O-CB 3.46Å; E505-T509 PolarHBondContact O-N 2.71Å; E505-T509 VanDerWaalsContact O-N 3.09Å; E505-T509 PolarHBondContact O-OG1 3.26Å
506Q90.9Very high91.4Very high119 Ų119103.2 Ų103.256%0.55649%0.492SS*.Hα-helixtrans-69.4-47.2174.1-70.5173.823.300111.8Q502 I503 E504 T509 R510Q502-Q506 VanDerWaalsContact O-CG 3.32Å; Q502-Q506 WeakPolarHBondContact O-CG 3.3Å; Q502-Q506 PolarHBondContact O-N 2.93Å; I503-Q506 WeakPolarHBondContact O-CB 3.45Å; I503-Q506 PolarHBondContact O-N 3.35Å; I503-Q506 VanDerWaalsContact O-N 3.12Å; E504-Q506 VanDerWaalsContact C-N 3.31Å; E504-Q506 PolarHBondContact O-N 3.32Å; Q506-T509 PolarHBondContact O-N 3.2Å; Q506-R510 PolarHBondContact O-N 3.15Å
507E91.4Very high91.1Very high123 Ų123105.7 Ų105.758%0.57550%0.503SS*.Hα-helixtrans-65.4-44.1178.4-70.5-172.1166.200112I503 E504 T509 R510 M511I503-E507 HydrophobicContact CG2-CG 4.33Å; I503-E507 PolarHBondContact O-N 3.16Å; E504-E507 PolarHBondContact O-N 2.95Å; E507-T509 VanDerWaalsContact C-N 3.26Å; E507-T509 PolarHBondContact O-N 3.24Å; E507-R510 WeakPolarHBondContact O-CB 3.37Å; E507-R510 PolarHBondContact O-N 3.45Å; E507-M511 WeakPolarHBondContact O-CB 3.48Å; E507-M511 WeakPolarHBondContact O-CG 3.38Å; E507-M511 PolarHBondContact O-N 3.4Å
508A91.5Very high90.9Very high40 Ų40105.3 Ų105.333%0.33150%0.501SS..Hα-helixtrans-60.4-36173.700000112.1E504 M511 R512E504-A508 WeakPolarHBondContact O-CB 3.49Å; E504-A508 PolarHBondContact O-N 3.44Å; A508-M511 PolarHBondContact O-N 2.97Å; A508-R512 WeakPolarHBondContact O-CG 3.48Å; A508-R512 PolarHBondContact O-N 3.42Å
509T89.6Confident90.6Very high50 Ų50108.8 Ų108.831%0.30751%0.507SS..Hα-helixtrans-69.8-41.6175.7-60.30000111.9E505 Q506 E507 M511 R512 Q513E505-T509 VanDerWaalsContact O-CB 3.28Å; E505-T509 WeakPolarHBondContact O-CB 3.46Å; E505-T509 PolarHBondContact O-N 2.71Å; E505-T509 VanDerWaalsContact O-N 3.09Å; E505-T509 PolarHBondContact O-OG1 3.26Å; Q506-T509 PolarHBondContact O-N 3.2Å; E507-T509 VanDerWaalsContact C-N 3.26Å; E507-T509 PolarHBondContact O-N 3.24Å; T509-M511 VanDerWaalsContact C-N 3.35Å; T509-R512 PolarHBondContact O-N 3.01Å; T509-R512 PolarHBondContact OG1-NH2 3.04Å; T509-Q513 WeakPolarHBondContact O-CG 3.44Å; T509-Q513 PolarHBondContact O-N 3.49Å
510R92.9Very high90.1Very high178 Ų178109.8 Ų109.867%0.67251%0.51SS*.Hα-helixtrans-61.9-41.3172.8-173.4179.7-177.1179.71111.9Q506 E507 Q513 L514Q506-R510 PolarHBondContact O-N 3.15Å; E507-R510 WeakPolarHBondContact O-CB 3.37Å; E507-R510 PolarHBondContact O-N 3.45Å; R510-Q513 PolarHBondContact O-N 3.17Å; R510-L514 HydrophobicContact CG-CD1 4.44Å; R510-L514 WeakPolarHBondContact O-CG 3.47Å; R510-L514 PolarHBondContact O-N 3.02Å
511M89.8Confident89.9Confident108 Ų108107.9 Ų107.953%0.53251%0.508SS..Hα-helixtrans-65.2-41.8176.3-73.2-64.2-73.200112.2E507 A508 T509 Q513 L514 Q515E507-M511 WeakPolarHBondContact O-CB 3.48Å; E507-M511 WeakPolarHBondContact O-CG 3.38Å; E507-M511 PolarHBondContact O-N 3.4Å; A508-M511 PolarHBondContact O-N 2.97Å; T509-M511 VanDerWaalsContact C-N 3.35Å; M511-Q513 PolarHBondContact O-N 2.91Å; M511-L514 PolarHBondContact O-N 2.68Å; M511-L514 HydrophobicContact SD-CD1 4.45Å; M511-Q515 WeakPolarHBondContact O-CG 3.5Å; M511-Q515 PolarHBondContact O-N 3.32Å
512R90.1Very high89.4Confident126 Ų126104.6 Ų104.648%0.47550%0.504SS..Hα-helixtrans-58.4-45.2172.1-77.6-177-71-113.30.1112.1A508 T509 L514 Q515 I516A508-R512 WeakPolarHBondContact O-CG 3.48Å; A508-R512 PolarHBondContact O-N 3.42Å; T509-R512 PolarHBondContact O-N 3.01Å; T509-R512 PolarHBondContact OG1-NH2 3.04Å; R512-L514 PolarHBondContact O-N 3.37Å; R512-Q515 PolarHBondContact O-N 3.49Å; R512-I516 VanDerWaalsContact O-CG1 3.3Å; R512-I516 WeakPolarHBondContact O-CG1 3.47Å; R512-I516 PolarHBondContact O-N 3.45Å
513Q88.2Confident88.6Confident128 Ų128102.3 Ų102.360%0.59850%0.495SS*.Hα-helixtrans-60.4-44177.1-71.7172-6.800112T509 R510 M511 I516 M517T509-Q513 WeakPolarHBondContact O-CG 3.44Å; T509-Q513 PolarHBondContact O-N 3.49Å; R510-Q513 PolarHBondContact O-N 3.17Å; M511-Q513 PolarHBondContact O-N 2.91Å; Q513-I516 PolarHBondContact O-N 3.01Å; Q513-M517 WeakPolarHBondContact O-CB 3.24Å; Q513-M517 PolarHBondContact O-N 2.81Å
514L92Very high88.4Confident72 Ų72105.9 Ų105.938%0.37750%0.503SS..Hα-helixtrans-64.9-40.2176.5-70.1169.9000112.5R510 M511 R512 M517 Q518R510-L514 HydrophobicContact CG-CD1 4.44Å; R510-L514 WeakPolarHBondContact O-CG 3.47Å; R510-L514 PolarHBondContact O-N 3.02Å; M511-L514 PolarHBondContact O-N 2.68Å; M511-L514 HydrophobicContact SD-CD1 4.45Å; R512-L514 PolarHBondContact O-N 3.37Å; L514-M517 HydrophobicContact CD2-CE 4.01Å; L514-M517 PolarHBondContact O-N 3.42Å; L514-Q518 WeakPolarHBondContact O-CG 3.21Å; L514-Q518 PolarHBondContact O-N 2.81Å
515Q87.7Confident88.2Confident116 Ų116103.1 Ų103.154%0.54249%0.49SS..Hα-helixtrans-64.5-42.5175.4-75.3177.4-11.600112.4M511 R512 Q518 K519M511-Q515 WeakPolarHBondContact O-CG 3.5Å; M511-Q515 PolarHBondContact O-N 3.32Å; R512-Q515 PolarHBondContact O-N 3.49Å; Q515-Q518 PolarHBondContact O-N 3.41Å; Q515-K519 WeakPolarHBondContact O-CB 3.21Å; Q515-K519 PolarHBondContact O-N 3.09Å
516I87.9Confident87.9Confident87 Ų87104.4 Ų104.445%0.44650%0.496SS..Hα-helixtrans-63.1-44.4175.5-66.5163.8000110.1R512 Q513 Q518 K519 L520R512-I516 VanDerWaalsContact O-CG1 3.3Å; R512-I516 WeakPolarHBondContact O-CG1 3.47Å; R512-I516 PolarHBondContact O-N 3.45Å; Q513-I516 PolarHBondContact O-N 3.01Å; I516-Q518 PolarHBondContact O-N 2.78Å; I516-K519 PolarHBondContact O-N 3.42Å; I516-L520 HydrophobicContact CG2-CD1 3.95Å; I516-L520 HydrophobicContact CG2-CG 4.46Å; I516-L520 WeakPolarHBondContact O-CB 3.34Å; I516-L520 VanDerWaalsContact O-CG 3.31Å; I516-L520 WeakPolarHBondContact O-CG 3.37Å; I516-L520 PolarHBondContact O-N 3.28Å
517M86.7Confident87.6Confident110 Ų110106 Ų10654%0.54250%0.501SS..Hα-helixtrans-58.1-48.3175.7-172.9-176.175.300112.1Q513 L514 L520 E521Q513-M517 WeakPolarHBondContact O-CB 3.24Å; Q513-M517 PolarHBondContact O-N 2.81Å; L514-M517 HydrophobicContact CD2-CE 4.01Å; L514-M517 PolarHBondContact O-N 3.42Å; M517-L520 PolarHBondContact O-N 3.18Å; M517-E521 PolarHBondContact O-N 3.26Å
518Q89Confident87.4Confident121 Ų121106.6 Ų106.657%0.56550%0.498SS*.Hα-helixtrans-63.4-41.2177-73.8176.5-6.800112.5L514 Q515 I516 L520 E521 A522L514-Q518 WeakPolarHBondContact O-CG 3.21Å; L514-Q518 PolarHBondContact O-N 2.81Å; Q515-Q518 PolarHBondContact O-N 3.41Å; I516-Q518 PolarHBondContact O-N 2.78Å; Q518-L520 PolarHBondContact O-N 2.79Å; Q518-E521 PolarHBondContact O-N 2.87Å; Q518-A522 WeakPolarHBondContact O-CB 3.49Å; Q518-A522 PolarHBondContact O-N 3.22Å
519K87.9Confident87.1Confident128 Ų128108.4 Ų108.456%0.55750%0.502SS*.Hα-helixtrans-62.7-41.2176.3-173.4-176.5176.4-167.80111.5Q515 I516 A522 M523Q515-K519 WeakPolarHBondContact O-CB 3.21Å; Q515-K519 PolarHBondContact O-N 3.09Å; I516-K519 PolarHBondContact O-N 3.42Å; K519-A522 PolarHBondContact O-N 2.84Å; K519-M523 WeakPolarHBondContact O-CG 3.03Å; K519-M523 PolarHBondContact O-N 2.94Å
520L83.4Confident86.6Confident75 Ų75109 Ų10939%0.39351%0.506SS..Hα-helixtrans-66.9-39.1175.4-71.8170.2000112.2I516 M517 Q518 M523 R524I516-L520 HydrophobicContact CG2-CD1 3.95Å; I516-L520 HydrophobicContact CG2-CG 4.46Å; I516-L520 WeakPolarHBondContact O-CB 3.34Å; I516-L520 VanDerWaalsContact O-CG 3.31Å; I516-L520 WeakPolarHBondContact O-CG 3.37Å; I516-L520 PolarHBondContact O-N 3.28Å; M517-L520 PolarHBondContact O-N 3.18Å; Q518-L520 PolarHBondContact O-N 2.79Å; L520-M523 HydrophobicContact CD2-CE 4.33Å; L520-R524 VanDerWaalsContact O-CG 3.25Å; L520-R524 WeakPolarHBondContact O-CG 3.25Å; L520-R524 PolarHBondContact O-N 2.88Å
521E88.7Confident86.2Confident119 Ų119105.7 Ų105.756%0.55650%0.501SS*.Hα-helixtrans-66.2-43.1174.3-175.1164.5-148.900112.1M517 Q518 M523 R524 Q525M517-E521 PolarHBondContact O-N 3.26Å; Q518-E521 PolarHBondContact O-N 2.87Å; E521-M523 PolarHBondContact O-N 2.93Å; E521-R524 WeakPolarHBondContact O-CB 3.4Å; E521-R524 PolarHBondContact O-N 2.88Å; E521-R524 VanDerWaalsContact O-N 3.14Å; E521-Q525 PolarHBondContact O-N 2.88Å
522A83.9Confident86.1Confident60 Ų60106.6 Ų106.650%0.49650%0.504SS..Hα-helixtrans-60.1-43.7174.800000112.2Q518 K519 R524 Q525 Q526Q518-A522 WeakPolarHBondContact O-CB 3.49Å; Q518-A522 PolarHBondContact O-N 3.22Å; K519-A522 PolarHBondContact O-N 2.84Å; A522-R524 VanDerWaalsContact C-N 3.34Å; A522-R524 PolarHBondContact O-N 3.48Å; A522-Q525 PolarHBondContact O-N 3.21Å; A522-Q526 PolarHBondContact O-N 2.99Å
523M76.1Confident86Confident74 Ų74107.5 Ų107.537%0.36551%0.508SS..Hα-helixtrans-64.7-35.9174-71.8-151-59.200112.7L263 K519 L520 E521 Q525 K527L263-M523 HydrophobicContact CD1-SD 4.48Å; K519-M523 WeakPolarHBondContact O-CG 3.03Å; K519-M523 PolarHBondContact O-N 2.94Å; L520-M523 HydrophobicContact CD2-CE 4.33Å; E521-M523 PolarHBondContact O-N 2.93Å; M523-Q525 VanDerWaalsContact C-N 3.35Å; M523-K527 WeakPolarHBondContact O-CB 3.44Å; M523-K527 PolarHBondContact O-N 3.01Å
524R87.7Confident85.8Confident156 Ų156106 Ų10659%0.58950%0.5SS*.Hα-helixtrans-64.2-39.8173.1-71.9166.4-176.1179.31.6111.3L520 E521 A522 R528L520-R524 VanDerWaalsContact O-CG 3.25Å; L520-R524 WeakPolarHBondContact O-CG 3.25Å; L520-R524 PolarHBondContact O-N 2.88Å; E521-R524 WeakPolarHBondContact O-CB 3.4Å; E521-R524 PolarHBondContact O-N 2.88Å; E521-R524 VanDerWaalsContact O-N 3.14Å; A522-R524 VanDerWaalsContact C-N 3.34Å; A522-R524 PolarHBondContact O-N 3.48Å; R524-R528 PolarHBondContact O-N 3.48Å
525Q86.2Confident85.5Confident76 Ų76107.9 Ų107.936%0.35551%0.51SS..Hα-helixtrans-64.5-53.5174.4-172.959.33600111.5E521 A522 M523 K527 R528 D529E521-Q525 PolarHBondContact O-N 2.88Å; A522-Q525 PolarHBondContact O-N 3.21Å; M523-Q525 VanDerWaalsContact C-N 3.35Å; Q525-K527 PolarHBondContact O-N 3.45Å; Q525-K527 VanDerWaalsContact O-N 3.16Å; Q525-R528 WeakPolarHBondContact O-CA 3.49Å; Q525-R528 WeakPolarHBondContact O-CB 3.13Å; Q525-R528 PolarHBondContact O-N 3.34Å; Q525-R528 VanDerWaalsContact OE1-CZ 3.3Å; Q525-D529 PolarHBondContact NE2-OD1 3.08Å; Q525-D529 VanDerWaalsContact O-CG 3.3Å; Q525-D529 PolarHBondContact O-N 3.26Å
526Q84.9Confident85.6Confident127 Ų127111.2 Ų111.259%0.59352%0.518SS*.Hα-helixtrans-56.6-35.7179.2-171.9-178.2200112.2A522 T530A522-Q526 PolarHBondContact O-N 2.99Å; Q526-T530 VanDerWaalsContact O-CB 3.25Å; Q526-T530 WeakPolarHBondContact O-CB 3.35Å; Q526-T530 PolarHBondContact O-N 3.31Å; Q526-T530 PolarHBondContact O-OG1 3.35Å
527K85.2Confident85.5Confident151 Ų151111.2 Ų111.266%0.65752%0.516SS*.Hα-helixtrans-66.2-38.8173.8-171.5172.5-178.5176.10112.6M523 Q525 L531M523-K527 WeakPolarHBondContact O-CB 3.44Å; M523-K527 PolarHBondContact O-N 3.01Å; Q525-K527 PolarHBondContact O-N 3.45Å; Q525-K527 VanDerWaalsContact O-N 3.16Å; K527-L531 HydrophobicContact CG-CD1 4.4Å; K527-L531 WeakPolarHBondContact O-CD1 3.27Å; K527-L531 VanDerWaalsContact O-CG 3.27Å; K527-L531 WeakPolarHBondContact O-CG 3.28Å; K527-L531 PolarHBondContact O-N 2.93Å
528R85.6Confident85.5Confident136 Ų136109.3 Ų109.351%0.51351%0.511SS..Hα-helixtrans-63-54.5171.6-70.4-171.4-74.6-155.1-3.9110.9R524 Q525 T530 L531 E532R524-R528 PolarHBondContact O-N 3.48Å; Q525-R528 WeakPolarHBondContact O-CA 3.49Å; Q525-R528 WeakPolarHBondContact O-CB 3.13Å; Q525-R528 PolarHBondContact O-N 3.34Å; Q525-R528 VanDerWaalsContact OE1-CZ 3.3Å; R528-T530 VanDerWaalsContact C-N 3.26Å; R528-T530 PolarHBondContact O-N 3.45Å; R528-L531 WeakPolarHBondContact O-CB 3.48Å; R528-L531 PolarHBondContact O-N 2.94Å; R528-E532 PolarHBondContact O-N 3.05Å
529D86Confident85.4Confident78 Ų78108.9 Ų108.942%0.41751%0.512SS..Hα-helixtrans-57.1-40.2-177.8-55.9-25000112Q525 E532 Y533Q525-D529 PolarHBondContact NE2-OD1 3.08Å; Q525-D529 VanDerWaalsContact O-CG 3.3Å; Q525-D529 PolarHBondContact O-N 3.26Å; D529-E532 PolarHBondContact O-N 3.11Å; D529-Y533 WeakPolarHBondContact O-CB 3.32Å; D529-Y533 PolarHBondContact O-N 3.41Å
530T79.4Confident85.5Confident64 Ų64109 Ų10939%0.39351%0.513SS..Hα-helixtrans-67.8-36.5177.8-58.20000112.4Q526 R528 K534Q526-T530 VanDerWaalsContact O-CB 3.25Å; Q526-T530 WeakPolarHBondContact O-CB 3.35Å; Q526-T530 PolarHBondContact O-N 3.31Å; Q526-T530 PolarHBondContact O-OG1 3.35Å; R528-T530 VanDerWaalsContact C-N 3.26Å; R528-T530 PolarHBondContact O-N 3.45Å; T530-K534 WeakPolarHBondContact O-CB 3.48Å; T530-K534 WeakPolarHBondContact O-CG 3.41Å; T530-K534 PolarHBondContact O-N 3.49Å
531L83.1Confident85.4Confident107 Ų107112 Ų11256%0.5653%0.525SS*.Hα-helixtrans-70.7-42.7175.6-73168.8000111.2K527 R528 K534 L535K527-L531 HydrophobicContact CG-CD1 4.4Å; K527-L531 WeakPolarHBondContact O-CD1 3.27Å; K527-L531 VanDerWaalsContact O-CG 3.27Å; K527-L531 WeakPolarHBondContact O-CG 3.28Å; K527-L531 PolarHBondContact O-N 2.93Å; R528-L531 WeakPolarHBondContact O-CB 3.48Å; R528-L531 PolarHBondContact O-N 2.94Å; L531-K534 PolarHBondContact O-N 2.94Å; L531-L535 WeakPolarHBondContact O-CB 3.49Å; L531-L535 PolarHBondContact O-N 3.35Å
532E89.6Confident85.1Confident128 Ų128110.8 Ų110.860%0.59852%0.522SS*.Hα-helixtrans-63.1-41.1174.5-70.8-176.2-159.800112R528 D529 L535 R536R528-E532 PolarHBondContact O-N 3.05Å; D529-E532 PolarHBondContact O-N 3.11Å; E532-L535 PolarHBondContact O-N 3.31Å; E532-R536 VanDerWaalsContact O-CB 3.25Å; E532-R536 WeakPolarHBondContact O-CB 3.44Å; E532-R536 PolarHBondContact O-N 3.37Å
533Y87.3Confident85.1Confident144 Ų144112.8 Ų112.857%0.56552%0.523SS*.Hα-helixtrans-62-45.7173.7-179.8-98.5000112.1D529 R536 M537D529-Y533 WeakPolarHBondContact O-CB 3.32Å; D529-Y533 PolarHBondContact O-N 3.41Å; Y533-R536 PolarHBondContact O-N 3.41Å; Y533-M537 HydrophobicContact CD1-CG 4.26Å; Y533-M537 HydrophobicContact CD2-CG 4.49Å; Y533-M537 HydrophobicContact CE1-CG 3.79Å; Y533-M537 HydrophobicContact CE2-CG 4.05Å; Y533-M537 HydrophobicContact CE2-SD 4.37Å; Y533-M537 WeakPolarHBondContact O-CB 3.39Å; Y533-M537 WeakPolarHBondContact O-CG 3.08Å; Y533-M537 PolarHBondContact O-N 3.13Å
534K82.7Confident85.4Confident97 Ų97114.5 Ų114.542%0.42253%0.529SS..Hα-helixtrans-58.3-49.4174.7-78.4178175.7-176.30110.9S270 T530 L531 R536 M537 T538S270-K534 PolarHBondContact OG-NZ 3.45Å; T530-K534 WeakPolarHBondContact O-CB 3.48Å; T530-K534 WeakPolarHBondContact O-CG 3.41Å; T530-K534 PolarHBondContact O-N 3.49Å; L531-K534 PolarHBondContact O-N 2.94Å; K534-R536 PolarHBondContact O-N 3.31Å; K534-M537 PolarHBondContact O-N 2.92Å; K534-T538 PolarHBondContact O-N 2.89Å; K534-T538 PolarHBondContact O-OG1 3.01Å
535L87.4Confident85Confident112 Ų112114.1 Ų114.159%0.58653%0.529SS*.Hα-helixtrans-58.7-46.4178179.862000112.4L531 E532 M537 T538 L539L531-L535 WeakPolarHBondContact O-CB 3.49Å; L531-L535 PolarHBondContact O-N 3.35Å; E532-L535 PolarHBondContact O-N 3.31Å; L535-M537 VanDerWaalsContact C-N 3.33Å; L535-M537 PolarHBondContact O-N 3.36Å; L535-T538 PolarHBondContact O-N 2.95Å; L535-L539 HydrophobicContact CD1-CD1 4.47Å; L535-L539 HydrophobicContact CG-CD1 4.21Å; L535-L539 WeakPolarHBondContact O-CB 3.47Å; L535-L539 PolarHBondContact O-N 2.9Å
536R90Very high84.5Confident186 Ų186117.5 Ų117.570%0.70255%0.545SS*.Hα-helixtrans-61.9-37.7176.6174.5175.3163.5177.1-5.6112.5E532 Y533 K534 K540E532-R536 VanDerWaalsContact O-CB 3.25Å; E532-R536 WeakPolarHBondContact O-CB 3.44Å; E532-R536 PolarHBondContact O-N 3.37Å; Y533-R536 PolarHBondContact O-N 3.41Å; K534-R536 PolarHBondContact O-N 3.31Å; R536-K540 PolarHBondContact O-N 3.24Å
537M84.9Confident84.1Confident86 Ų86118.6 Ų118.642%0.42455%0.55SS.*Hα-helixtrans-70.2-42.4175.7-74.4-59.4-6200112.1Y533 K534 L535 K540 Q541Y533-M537 HydrophobicContact CD1-CG 4.26Å; Y533-M537 HydrophobicContact CD2-CG 4.49Å; Y533-M537 HydrophobicContact CE1-CG 3.79Å; Y533-M537 HydrophobicContact CE2-CG 4.05Å; Y533-M537 HydrophobicContact CE2-SD 4.37Å; Y533-M537 WeakPolarHBondContact O-CB 3.39Å; Y533-M537 WeakPolarHBondContact O-CG 3.08Å; Y533-M537 PolarHBondContact O-N 3.13Å; K534-M537 PolarHBondContact O-N 2.92Å; L535-M537 VanDerWaalsContact C-N 3.33Å; L535-M537 PolarHBondContact O-N 3.36Å; M537-K540 PolarHBondContact O-N 3.3Å; M537-Q541 WeakPolarHBondContact O-CB 3.48Å; M537-Q541 PolarHBondContact O-N 2.96Å
538T86.1Confident83.4Confident71 Ų71117.3 Ų117.344%0.43655%0.547SS..Hα-helixtrans-61.9-41.9173.6-59.20000111.9K534 L535 Q541 N542K534-T538 PolarHBondContact O-N 2.89Å; K534-T538 PolarHBondContact O-OG1 3.01Å; L535-T538 PolarHBondContact O-N 2.95Å; T538-Q541 PolarHBondContact O-N 3.37Å; T538-N542 WeakPolarHBondContact O-CB 3.4Å; T538-N542 PolarHBondContact O-N 3.31Å; T538-N542 PolarHBondContact O-ND2 3.22Å
539L88.4Confident82.4Confident111 Ų111117.3 Ų117.358%0.58155%0.547SS*.Hα-helixtrans-58.5-46.7172.9-83.6162.5000112L535 Q541 N542 M543L535-L539 HydrophobicContact CD1-CD1 4.47Å; L535-L539 HydrophobicContact CG-CD1 4.21Å; L535-L539 WeakPolarHBondContact O-CB 3.47Å; L535-L539 PolarHBondContact O-N 2.9Å; L539-Q541 PolarHBondContact O-N 2.62Å; L539-N542 PolarHBondContact O-N 2.97Å; L539-M543 WeakPolarHBondContact O-CB 3.27Å; L539-M543 PolarHBondContact O-N 3.08Å
540K88.1Confident80.9Confident131 Ų131116.6 Ų116.657%0.5756%0.559SS**Hα-helixtrans-63-41.5177.3-170.2-179.5179-174.20112R536 M537 M543 Q544R536-K540 PolarHBondContact O-N 3.24Å; M537-K540 PolarHBondContact O-N 3.3Å; K540-M543 PolarHBondContact O-N 3.41Å; K540-Q544 WeakPolarHBondContact O-CB 3.26Å; K540-Q544 PolarHBondContact O-N 2.69Å
541Q83.2Confident79.5Confident138 Ų138120.5 Ų120.565%0.64558%0.575SS**Hα-helixtrans-64.5-44.9178.3-173.3175.81.400111.9M537 T538 L539 M543 Q544 Y545M537-Q541 WeakPolarHBondContact O-CB 3.48Å; M537-Q541 PolarHBondContact O-N 2.96Å; T538-Q541 PolarHBondContact O-N 3.37Å; L539-Q541 PolarHBondContact O-N 2.62Å; Q541-M543 PolarHBondContact O-N 2.92Å; Q541-Q544 PolarHBondContact O-N 3.07Å; Q541-Y545 WeakPolarHBondContact O-CB 3.48Å; Q541-Y545 PolarHBondContact O-N 3.34Å
542N82.2Confident77.7Confident94 Ų94121.2 Ų121.250%0.50359%0.587SS.*Hα-helixtrans-62-42.2175.5-77.5-25.1000112.2T538 L539 Y545 Q546T538-N542 WeakPolarHBondContact O-CB 3.4Å; T538-N542 PolarHBondContact O-N 3.31Å; T538-N542 PolarHBondContact O-ND2 3.22Å; L539-N542 PolarHBondContact O-N 2.97Å; N542-Y545 PolarHBondContact O-N 3.22Å; N542-Q546 WeakPolarHBondContact O-CG 3.33Å; N542-Q546 PolarHBondContact O-N 3.25Å
543M83.6Confident75.6Confident102 Ų102124 Ų12450%0.50260%0.6SS.*Hα-helixtrans-66.2-38.1177.6-164-160.875.600111.9L539 K540 Q541 Q546 Q547L539-M543 WeakPolarHBondContact O-CB 3.27Å; L539-M543 PolarHBondContact O-N 3.08Å; K540-M543 PolarHBondContact O-N 3.41Å; Q541-M543 PolarHBondContact O-N 2.92Å; M543-Q546 PolarHBondContact O-N 3.42Å; M543-Q547 WeakPolarHBondContact O-CG 3.35Å; M543-Q547 PolarHBondContact O-N 2.69Å
544Q81.8Confident73.3Confident109 Ų109126.4 Ų126.451%0.50962%0.616SS.*Hα-helixtrans-66.7-42.5175.2-174.4170.6-18.700111.6K540 Q541 Q546 Q547 E548K540-Q544 WeakPolarHBondContact O-CB 3.26Å; K540-Q544 PolarHBondContact O-N 2.69Å; Q541-Q544 PolarHBondContact O-N 3.07Å; Q544-Q546 VanDerWaalsContact C-N 3.32Å; Q544-Q546 PolarHBondContact O-N 2.93Å; Q544-Q547 PolarHBondContact O-N 2.95Å; Q544-Q547 VanDerWaalsContact O-N 3.11Å; Q544-E548 PolarHBondContact O-N 3.42Å
545Y78.9Confident71.1Confident149 Ų149126.1 Ų126.158%0.58463%0.626SS**Hα-helixtrans-61.4-38.3175.4-174.4-98.8000112.5Q541 N542 Q547 E548 Y549Q541-Y545 WeakPolarHBondContact O-CB 3.48Å; Q541-Y545 PolarHBondContact O-N 3.34Å; N542-Y545 PolarHBondContact O-N 3.22Å; Y545-Q547 VanDerWaalsContact C-N 3.34Å; Y545-Q547 PolarHBondContact O-N 3.18Å; Y545-E548 PolarHBondContact O-N 3.02Å; Y545-Y549 AromaticContact CD2-CD2 3.62Å; Y545-Y549 HydrophobicContact CD2-CD2 3.62Å; Y545-Y549 AromaticContact CD2-CE2 3.94Å; Y545-Y549 HydrophobicContact CD2-CE2 3.94Å; Y545-Y549 AromaticContact CE2-CD2 3.49Å; Y545-Y549 HydrophobicContact CE2-CD2 3.49Å; Y545-Y549 VanDerWaalsContact CE2-CD2 3.49Å; Y545-Y549 AromaticContact CE2-CE2 3.84Å; Y545-Y549 HydrophobicContact CE2-CE2 3.84Å; Y545-Y549 HydrophobicContact CE2-CG 4.28Å; Y545-Y549 HydrophobicContact CG-CD2 4.27Å; Y545-Y549 PolarHBondContact O-N 3.18Å; Y545-Y549 VanDerWaalsContact O-N 3.08Å
546Q76.3Confident68.9Low147 Ų147130 Ų13069%0.68764%0.638SS**Hα-helixtrans-65.4-33173.3-76.9-176.1-12.500113.5N542 M543 Q544 G550N542-Q546 WeakPolarHBondContact O-CG 3.33Å; N542-Q546 PolarHBondContact O-N 3.25Å; M543-Q546 PolarHBondContact O-N 3.42Å; Q544-Q546 VanDerWaalsContact C-N 3.32Å; Q544-Q546 PolarHBondContact O-N 2.93Å; Q546-G550 PolarHBondContact O-N 3.02Å
547Q76.4Confident66.6Low150 Ų150125.9 Ų125.970%0.70164%0.636SS**Hα-helixtrans-72.7-31.3174.7-71.8179.6-4.900112.6M543 Q544 Y545M543-Q547 WeakPolarHBondContact O-CG 3.35Å; M543-Q547 PolarHBondContact O-N 2.69Å; Q544-Q547 PolarHBondContact O-N 2.95Å; Q544-Q547 VanDerWaalsContact O-N 3.11Å; Y545-Q547 VanDerWaalsContact C-N 3.34Å; Y545-Q547 PolarHBondContact O-N 3.18Å
548E69.3Low64.2Low124 Ų124132.2 Ų132.258%0.57966%0.657SS**Hα-helixtrans-85.4-29.4-175-162.8167.9-14100113.3Q544 Y545Q544-E548 PolarHBondContact O-N 3.42Å; Y545-E548 PolarHBondContact O-N 3.02Å
549Y66Low61.9Low136 Ų136134.6 Ų134.653%0.53368%0.676SS.*Hα-helixtrans-124.818.5-174.2-60.5-79.1000115.3Y545 I551Y545-Y549 AromaticContact CD2-CD2 3.62Å; Y545-Y549 HydrophobicContact CD2-CD2 3.62Å; Y545-Y549 AromaticContact CD2-CE2 3.94Å; Y545-Y549 HydrophobicContact CD2-CE2 3.94Å; Y545-Y549 AromaticContact CE2-CD2 3.49Å; Y545-Y549 HydrophobicContact CE2-CD2 3.49Å; Y545-Y549 VanDerWaalsContact CE2-CD2 3.49Å; Y545-Y549 AromaticContact CE2-CE2 3.84Å; Y545-Y549 HydrophobicContact CE2-CE2 3.84Å; Y545-Y549 HydrophobicContact CE2-CG 4.28Å; Y545-Y549 HydrophobicContact CG-CD2 4.27Å; Y545-Y549 PolarHBondContact O-N 3.18Å; Y545-Y549 VanDerWaalsContact O-N 3.08Å; Y549-I551 PolarHBondContact O-N 3.09Å
550G54.5Low59.8Low63 Ų63135.3 Ų135.365%0.64969%0.685SS**  trans-7371.7-177.600000115.8Q546Q546-G550 PolarHBondContact O-N 3.02Å
551I50.1Low57.5Low145 Ų145137 Ų13774%0.74470%0.695SS**  trans-79.9131.2176.5-57.4174.1000111.2Y549 Q553Y549-I551 PolarHBondContact O-N 3.09Å; I551-Q553 PolarHBondContact O-N 3.36Å
552P44.8Very low55.5Low123 Ų123135.4 Ų135.480%0.79970%0.699SS**  trans-77.6115.217330.8-33000111.6
553Q44.9Very low53.6Low186 Ų186140.8 Ų140.887%0.86972%0.718SS**PPolyproline II helixtrans-99.9143.6167.7-75.7-160.3-35.600112I551I551-Q553 PolarHBondContact O-N 3.36Å
554Q39.6Very low51.8Low195 Ų195141.2 Ų141.291%0.91173%0.729SS**PPolyproline II helixtrans-87.5152.4174.6-70.7179.1-19.600111.8
555S37.3Very low49.9Very low90 Ų90140.9 Ų140.963%0.62974%0.738SS**PPolyproline II helixtrans-72.9167173.460.10000112.1
556F40.1Very low48.4Very low193 Ų193140.4 Ų140.485%0.84675%0.751SS**  cis-151.9-149.524.8-99.3-56.3000109.5
557P41.3Very low46.9Very low100 Ų100138.4 Ų138.465%0.64975%0.75SS**  -126.4165.9-98.636.3-16000117.2
558Y35.7Very low45.3Very low219 Ų219137.7 Ų137.786%0.85976%0.757SS**  trans55125.4146.6-85.6-122.3000121.5
559S37.5Very low43.9Very low122 Ų122136.4 Ų136.485%0.85377%0.767SS**  -164.9160.8111.4-79.70000111.8
560V43.4Very low42.6Very low125 Ų125134.3 Ų134.376%0.75878%0.778SS**  trans-86.7176.9178-121.90000109.9
561E40.3Very low42.2Very low166 Ų166137.7 Ų137.778%0.77679%0.789SS**  cis-171.5161.339-139.7155.8154.500113.4
562S42.1Very low41.8Very low106 Ų106134.2 Ų134.274%0.74179%0.789SS**  trans75.4143152.2-66.80000124.5
563F42.1Very low41.5Very low206 Ų206136.9 Ų136.990%0.90479%0.79SS**  trans-101.8-158.2177.1-64.6-90.3000110.5
564P45.5Very low41.2Very low112 Ų112130.6 Ų130.673%0.72778%0.775SS**  cis-147.4-171.31.441.5-18.2000119.5
565S42.1Very low41.3Very low101 Ų101131.4 Ų131.471%0.70677%0.772SS**  trans98.4119.1156-44.90000119.2
566V48.3Very low41.5Very low139 Ų139132.9 Ų132.984%0.84278%0.779SS**  57.5155.263.9-920000117.5
567P44.3Very low41.4Very low105 Ų105129.4 Ų129.468%0.68277%0.774SS**  cis-142.1-171-3.130.8-5.8000118.9
568T41.6Very low41.2Very low136 Ų136130.7 Ų130.783%0.83478%0.775SS**  trans77.2154.2150.918.90000120.5
569A39.9Very low41.6Very low97 Ų97130.3 Ų130.380%0.80277%0.774SS**  cis-152.8-176.23.500000113.9
570A40.1Very low41.6Very low91 Ų91129.2 Ų129.275%0.75277%0.772SS**  trans-127.4-155.5177.800000110.7
571P46Very low41.1Very low135 Ų135130.6 Ų130.688%0.87777%0.774SS**  cis-141.5-170.9-9.543.5-23.4000117.1
572G40.9Very low41Very low72 Ų72128.9 Ų128.974%0.74278%0.777SS**  trans147.6177.4165.300000113.5
573E38.5Very low40.5Very low178 Ų178132.6 Ų132.683%0.83278%0.776SS**  cis-178.8158.7-24.1-99.6-76.959.900107.3
574G38.7Very low40.2Very low54 Ų54130.4 Ų130.456%0.55777%0.772SS**  cis171.4142.8-8.100000114.1
575Y42.2Very low39.7Very low213 Ų213128.8 Ų128.884%0.83576%0.764SS**  trans65.1163.2162.6-74.3-80.1000122.6
576P41.5Very low39.1Very low121 Ų121127.6 Ų127.679%0.78677%0.768SS**  cis-128.3-173.5-8.134.1-13000116.7
577T37.4Very low38.4Very low120 Ų120128.1 Ų128.174%0.73676%0.764SS**  trans-120.1154.8-164.7-42.20000114.7
578N38.2Very low37.8Very low126 Ų126130 Ų13067%0.67477%0.769SS**  trans-171.9159.6151.4-105.4-42000109.8
579Y42.7Very low37.2Very low212 Ų212135 Ų13583%0.83177%0.774SS**  cis-117.2-118.4-2.6-72.7-79.4000111.4
580A37.9Very low37.1Very low99 Ų99134.8 Ų134.882%0.81877%0.772SS**  trans-153.1165.2-17000000115.4
581L33.9Very low36.8Very low154 Ų154136 Ų13681%0.80678%0.775SS**  trans-76.2179.2172-61.7167.4000112
582P38.2Very low36.1Very low129 Ų129139.4 Ų139.484%0.83878%0.776SS**  -134.9143.490.537.5-27.6000115.2
583Y31.3Very low36Very low184 Ų184141.5 Ų141.572%0.72278%0.777SS**  trans-89.1139167.1162.4-98.7000109.5S585Y583-S585 WeakPolarHBondContact CE1-OG 3.48Å
584I34.7Very low35.8Very low160 Ų160138.7 Ų138.782%0.82177%0.774SS**  trans-124.5141.2169.5-89.9179.3000109.2
585S34.6Very low35.8Very low79 Ų79142.1 Ų142.155%0.55278%0.784SS**  trans-111.2154.2-166.8-40.50000113.2Y583Y583-S585 WeakPolarHBondContact CE1-OG 3.48Å
586G30.5Very low35.6Very low76 Ų76137.5 Ų137.578%0.78478%0.78SS**  trans88.3165.8169.700000114.7
587I33.4Very low35.2Very low150 Ų150138.4 Ų138.477%0.76978%0.778SS**  cis-136.5140.49.3-71.3179000111.1
588N32.3Very low34.9Very low145 Ų145136.5 Ų136.578%0.77578%0.782SS**  trans33.2124.1160.5-59.6-6.4000121.5
589Y28.6Very low34.7Very low240 Ų240140.4 Ų140.494%0.94179%0.789SS**  trans-61.3139.2144.2-66.9-95.8000110.5
590A36.5Very low34.1Very low93 Ų93138 Ų13877%0.76979%0.79SS**  trans-138.6105.216900000111.2
591S34Very low34.1Very low116 Ų116139.4 Ų139.481%0.81179%0.791SS**  trans22121.3150.3-51.30000120.9
592F31Very low34.1Very low206 Ų206142.4 Ų142.490%0.90479%0.791SS**  trans-62.1150.3154.3-69.9-92.4000112.4
593P39.4Very low33.9Very low117 Ų117143.9 Ų143.976%0.7679%0.792SS**  trans-99.9161136.9-1129.7000111.8
594P34.8Very low34Very low118 Ų118140.4 Ų140.477%0.76679%0.786SS**  trans-106.9167.3-157.940.4-36.4000117.7
595V37.6Very low34.1Very low126 Ų126143.8 Ų143.876%0.76479%0.789SS**  trans-12.3154.3155.6-88.60000119.5
596P38.3Very low34.1Very low117 Ų117145.4 Ų145.476%0.7680%0.795SS**  -157.1157.158.542.2-19.9000123.5
597N33.3Very low34.1Very low139 Ų139151.9 Ų151.974%0.74380%0.797SS**  trans34.8140.9142.4-68.4-2.6000124.6
598G31.3Very low34Very low80 Ų80149.3 Ų149.383%0.82580%0.798SS**  trans-163.757.5172.900000116.1
599Y34.1Very low34.2Very low208 Ų208148 Ų14882%0.81680%0.796SS**  trans-6.6144.1168.8-85.1-93.3000123.8
600L29.9Very low34.4Very low161 Ų161145.3 Ų145.384%0.84379%0.792SS**  trans-98.5145.1152.2-72.2171.3000111.3
601P38.1Very low34.4Very low129 Ų129150.7 Ų150.784%0.83880%0.798SS**  trans-88.8154.5163.2-625.4000112.8
602R33.6Very low34.7Very low217 Ų217150.5 Ų150.582%0.81979%0.794SS**  trans-125134.2176.4170-166.6-173.6-174.45108N604R602-N604 HydrophobicContact CG-CB 4.38Å
603D34.8Very low34.8Very low161 Ų161148.6 Ų148.686%0.86179%0.794SS**  trans-132.7140.2158.2-142.6-30.7000109.9
604N33.6Very low34.7Very low111 Ų111147.9 Ų147.959%0.59479%0.789SS**  trans-159.595.2-161.2-176.597000111.3R602R602-N604 HydrophobicContact CG-CB 4.38Å
605R36.8Very low35Very low231 Ų231149.3 Ų149.387%0.87279%0.79SS**  trans-126.5111.5172.6-92.9-175.8164.5156.2-2.4113.3
606V33.5Very low35Very low112 Ų112148.6 Ų148.668%0.67979%0.791SS**  47107.5125.3-176.80000116.3
607Y32Very low35Very low212 Ų212150.6 Ų150.683%0.83179%0.793SS**  -149.3135.5107.9-108-75.4000110.6T609Y607-T609 HydrophobicContact CD1-CG2 4.16Å
608A31Very low35.1Very low96 Ų96150.5 Ų150.579%0.79380%0.798SS**  trans-139.5123.7169.600000107.5
609T37.2Very low35.5Very low118 Ų118151.9 Ų151.972%0.72479%0.792SS**  trans-136.1105.9-176.743.20000109.8Y607Y607-T609 HydrophobicContact CD1-CG2 4.16Å
610Q32.1Very low35.5Very low183 Ų183147.9 Ų147.986%0.85579%0.789SS**  trans-76.6142.6163.9-57.4157.6-56.200108.6
611F37.1Very low35.9Very low207 Ų207149.3 Ų149.391%0.90879%0.792SS**  trans-163.7163.1152.2-89.8-47000109.6
612P38.5Very low35.9Very low112 Ų112148.3 Ų148.373%0.72779%0.788SS**  trans-126.9162.9-131.241.3-27.9000117.1
613D33.7Very low36Very low166 Ų166141.7 Ų141.789%0.88879%0.787SS**  trans-80.9142.3167.6-84.4-48.1000113.7
614P38.2Very low36.2Very low102 Ų102139 Ų13966%0.66279%0.787SS**  trans-130.6153.8156.536.5-23000114.9
615N40.6Very low36.4Very low147 Ų147138.1 Ų138.179%0.78679%0.79SS**  trans96.4109.7177-51.6-50.2000114.4
616S37.3Very low36.7Very low112 Ų112134.8 Ų134.878%0.78379%0.787SS**  67.5131.257.2-53.20000111.7
617I37.8Very low36.9Very low159 Ų159134.4 Ų134.482%0.81579%0.787SS**  cis-146.9153.932.2-64.8169.1000110.4
618V36.4Very low37Very low137 Ų137129.2 Ų129.283%0.8378%0.782SS**  trans-145.4130.7177.7174.60000113.7
619P38.5Very low37.3Very low108 Ų108135.6 Ų135.670%0.70179%0.787SS**  trans-145.2108.8154.834.7-15.1000117.2
620T34.5Very low37.2Very low125 Ų125137.3 Ų137.377%0.76779%0.792SS**  trans41127.4136.559.40000124.4
621Q39Very low37.5Very low191 Ų191136.3 Ų136.389%0.89379%0.789SS**  trans-176152.8134.8-100.7170.294.400107.8
622S38.8Very low37.4Very low108 Ų108130.4 Ų130.476%0.75577%0.774SS**  cis166.8116-43.250.60000107.3
623G34.8Very low37.2Very low78 Ų78136 Ų13680%0.80478%0.782SS**  trans129.1119.9161.100000118.9
624A38.1Very low37.3Very low103 Ų103134.4 Ų134.485%0.85178%0.778SS**  trans51.8150.2143.600000122.2
625S39.1Very low37.3Very low94 Ų94135.4 Ų135.466%0.65779%0.785SS**  cis-177.1135.2-18.9530000112.1
626I41.8Very low37.1Very low160 Ų160137.2 Ų137.282%0.82179%0.788SS**  trans60.7138.6139.4-58167.8000119.3
627P38.7Very low37Very low104 Ų104142.2 Ų142.268%0.67580%0.796SS**  cis-135.7-165.1-26.141.3-21000113.9
628S33.2Very low37Very low104 Ų104140 Ų14073%0.72780%0.795SS**  trans-83.5156.8-179.2-41.50000116.3
629Y38.1Very low37Very low229 Ų229139 Ų13990%0.89879%0.794SS**  trans-137.7161.4148.4-71.9-73.2000110.4
630N35.9Very low36.9Very low154 Ų154144.3 Ų144.382%0.82480%0.802SS**  trans-144154.4-164.8-175.220.4000111.2
631M37.7Very low37.2Very low162 Ų162145 Ų14580%0.79881%0.805SS**  trans141.9154.8170.8-81.7-88.8126.200109.4
632S34.1Very low37.3Very low84 Ų84140.7 Ų140.759%0.58779%0.794SS**  cis-176.3146.8-31.1-97.50000107.8
633Y35.7Very low37.4Very low230 Ų230143.3 Ų143.390%0.90280%0.8SS**  trans-131.7121.7175-104.3-85.5000114.2
634T35.9Very low37.7Very low132 Ų132144.4 Ų144.481%0.8179%0.793SS**  trans-96.4113.9174.698.30000121.1
635P38.2Very low37.7Very low122 Ų122146 Ų14679%0.79279%0.792SS**PPolyproline II helixtrans-101.6129.1159.133.4-26.9000111.2
636Q35.6Very low37.6Very low185 Ų185145 Ų14586%0.86480%0.797SS**PPolyproline II helixtrans-103.3131.5169.9-75.5-171.4-22.600111
637F35.6Very low37.5Very low217 Ų217145.9 Ų145.995%0.95280%0.797SS**PPolyproline II helixtrans-90.8148.4155.4-107.2-99.6000109.2
638S37.7Very low37.3Very low113 Ų113147.1 Ų147.179%0.7980%0.798SS**  trans-138132.2178-175.20000110.4
639S35.6Very low37.5Very low116 Ų116150.1 Ų150.181%0.81180%0.804SS**  trans-111.2142.8-178-710000111.4
640Y36.1Very low37.4Very low219 Ų219147.6 Ų147.686%0.85980%0.8SS**  trans-88132.4-172.5-119.6-95.5000112.5
641V41.2Very low37.7Very low139 Ų139144.4 Ų144.484%0.84279%0.788SS**  trans-136.1131.1152-175.40000107.7
642P41.4Very low37.7Very low101 Ų101143.7 Ų143.766%0.65678%0.782SS**  trans-103158.4-172.738.6-34.4000114.1
643D40.9Very low37.9Very low164 Ų164149.5 Ų149.588%0.87779%0.791SS**  trans-135.3159.2165.7-105.9-41.4000111.8
644P40.1Very low37.8Very low101 Ų101142.7 Ų142.766%0.65678%0.778SS**  trans-107151.1-155.738.9-36.6000117.7
645V38.7Very low37.8Very low136 Ų136145.6 Ų145.682%0.82478%0.779SS**  trans46.599141.1-173.30000118.2
646G37.6Very low37.7Very low74 Ų74143.9 Ų143.976%0.76377%0.77SS**  trans-134.2147.816100000111.2
647H39.7Very low37.8Very low177 Ų177144 Ų14482%0.81977%0.771SS**  trans-89.4124.5-170.1-85.724.2000114.9
648N33.6Very low37.9Very low131 Ų131137.3 Ų137.370%0.70176%0.763SS**  35.8117.2118.3-173.524.8000119.2
649I39.1Very low37.8Very low167 Ų167138.7 Ų138.786%0.85676%0.762SS**  -164.8159.9122.9-98.2153.1000109.6
650Q35.1Very low37.9Very low175 Ų175141.8 Ų141.882%0.81876%0.763SS**  trans-114.1-162.4-155.9-137-161.5-3.200113.2
651P42.6Very low37.6Very low88 Ų88138.6 Ų138.657%0.57176%0.761SS**  trans-116.1-177.4-132.243.1-27.2000114.8
652H37.9Very low37.5Very low147 Ų147138.3 Ų138.368%0.68176%0.762SS**  trans-178.6137134.6-99.6-24.7000116.8
653R37.2Very low37.5Very low205 Ų205140 Ų14077%0.77477%0.77SS**  trans65155.9137.8-61.6170.5-168.6-125.82.6120
654S34.1Very low37.6Very low88 Ų88137.5 Ų137.562%0.61576%0.763SS**  cis-174.4168.5-24.1-88.70000110.2
655F35Very low37.4Very low193 Ų193138.8 Ų138.885%0.84677%0.772SS**  trans72.8149.3164.6-70-76.8000118
656S37.9Very low37.1Very low86 Ų86135.3 Ų135.360%0.60176%0.763SS**  cis-150.4139.5-3.8-150.80000115.5
657Q37.4Very low36.7Very low186 Ų186137 Ų13787%0.86976%0.763SS**  trans30.8142.5140.2-61.7175.3-18.800124.8
658G36.7Very low36.4Very low77 Ų77138.9 Ų138.979%0.79477%0.769SS**  trans127.880.9153.900000115.3
659N35.3Very low36.3Very low142 Ų142136.6 Ų136.676%0.75976%0.763SS**  cis89.89037.1-167.961.1000116.3
660Q37.6Very low36.1Very low182 Ų182137.4 Ų137.485%0.8577%0.766SS**  trans-176144.2137.6-102.7153.1105.200113.1
661N31.1Very low36.2Very low151 Ų151136.8 Ų136.881%0.80776%0.763SS**  trans-95.2167.1172.5-69.6-18.8000110.8
662P39.3Very low35.9Very low134 Ų134137.8 Ų137.887%0.8777%0.772SS**  -143.6-174.594.637.1-19.7000115.9
663V40.4Very low36Very low136 Ų136138.6 Ų138.682%0.82478%0.78SS**  trans-97158.5-167.9165.50000112
664P42.7Very low36Very low111 Ų111138 Ų13872%0.72179%0.786SS**  trans-109.5171.3-165.342-34.9000115.6
665P36.5Very low36.2Very low129 Ų129138 Ų13884%0.83879%0.791SS**  trans-104.5168140.137.4-28.8000110.3
666G32.4Very low36.3Very low62 Ų62134.1 Ų134.164%0.63979%0.788SS**  cis141.6121.14.500000109.6
667S30.3Very low36.1Very low110 Ų110138 Ų13877%0.76980%0.801SS**  trans33.6115163.759.80000119.8
668F32.5Very low36Very low217 Ų217134.9 Ų134.995%0.95280%0.797SS**  trans-148.2136.7136-96.7-63000114.2
669S31.5Very low35.9Very low82 Ų82136.9 Ų136.957%0.57379%0.794SS**  trans-51.4151.9174.8-175.40000115.5
670M35.9Very low35.9Very low185 Ų185141.7 Ų141.791%0.91180%0.803SS**  trans-131.2110154.7-96.1-69.2-167.700108.8
671Q36.8Very low35.9Very low161 Ų161138.1 Ų138.175%0.75279%0.794SS**  trans-102.7160.6171.4-74169-57.200109.9
672S36.3Very low36Very low110 Ų110142.2 Ų142.277%0.76980%0.798SS**  trans64.8133.2-164.7770000112.2
673I38.7Very low35.9Very low164 Ų164144.1 Ų144.184%0.84180%0.795SS**  cis-125.5140.337.9-72.5155.1000111.7
674Q38.1Very low35.6Very low192 Ų192144.4 Ų144.490%0.89779%0.792SS**  trans-104133.9174.2-67.2170.1-74.400111.2
675A39Very low35.4Very low87 Ų87147 Ų14772%0.71980%0.8SS**  trans-159.2143.6155.400000110.6
676S35.1Very low35.5Very low112 Ų112145.5 Ų145.578%0.78379%0.792SS**SBendtrans46.389.816459.50000118.8
677L34.1Very low35.9Very low167 Ų167152.9 Ų152.987%0.87481%0.807SS**  -173.2141.9125.9-96.9160.7000108.5
678P36.7Very low36Very low122 Ų122151.3 Ų151.379%0.79281%0.809SS**  trans-86.2133.3-172.832.5-32.5000113
679T34.6Very low36.1Very low119 Ų119152.4 Ų152.473%0.7381%0.808SS**  trans-86.5132.1178.8-39.90000111.6T681T679-T681 HydrophobicContact CG2-CG2 3.94Å; T679-T681 PolarHBondContact O-N 2.93Å
680Y34.8Very low36.5Very low243 Ų243154.4 Ų154.495%0.95382%0.819SS**  trans-84.796.2163.7-108.4-89.4000109.8
681T37.1Very low36.5Very low107 Ų107148.7 Ų148.766%0.65681%0.808SS**  trans-107.8119.6167.743.20000110T679T679-T681 HydrophobicContact CG2-CG2 3.94Å; T679-T681 PolarHBondContact O-N 2.93Å
682R33.8Very low36.5Very low237 Ų237148.1 Ų148.189%0.89481%0.81SS**  trans-89.8107.6175.5-176.9-178.7178.8-173-0.8109.1
683Q35.8Very low36.5Very low174 Ų174152.1 Ų152.181%0.81382%0.816SS**  trans-116.6139165.1-77.3-179.5-79.800109.1
684D35.2Very low36.3Very low142 Ų142150.1 Ų150.176%0.75981%0.812SS**  trans-80.5130.4169.7-79.1-66.6000109.7
685D38.6Very low36.1Very low164 Ų164151 Ų15188%0.87781%0.809SS**  trans-133.2114.4168.5-122.8-38.1000109.3
686S39.1Very low36.3Very low98 Ų98152.8 Ų152.869%0.68581%0.813SS**  trans-112.3100.7-172.5-78.80000111.9
687K39.3Very low36.2Very low217 Ų217152.7 Ų152.794%0.94381%0.812SS**  trans177.4132.3148.6-93.2138.9-162.9167.70111.2
688G33.6Very low36.5Very low78 Ų78150.5 Ų150.580%0.80481%0.811SS**  trans145.971.6164.200000117
689Y33.9Very low36.4Very low239 Ų239153.5 Ų153.594%0.93781%0.814SS**  trans-80.3142.1161.3-100.7-84.2000110.4
690P40.5Very low36.6Very low125 Ų125156.9 Ų156.981%0.81282%0.821SS**  -145.9150.7119.537-23.2000115.5
691G36.1Very low36.6Very low65 Ų65151.2 Ų151.267%0.6781%0.812SS**  trans99.191.2137.200000120.5
692N35.9Very low36.8Very low149 Ų149154.2 Ų154.280%0.79782%0.82SS**  trans44.7116.9135-60.7-9.4000122.1
693Q35.8Very low37Very low194 Ų194149.4 Ų149.491%0.90781%0.812SS**  trans-151.884.9136.7-107.4166.288.900107.8
694T36.3Very low37Very low122 Ų122148 Ų14875%0.74881%0.806SS**  71.996.687.3-54.50000113.5
695Y32.8Very low37.3Very low210 Ų210149 Ų14982%0.82480%0.804SS**  trans-80.2144169-74.5-94.5000111.7S697Y695-S697 PolarHBondContact O-N 3.02Å
696P43.6Very low37.3Very low125 Ų125148.5 Ų148.581%0.81280%0.801SS**  trans-82.1105.2163.132.3-30.2000110.4
697S32.9Very low37.3Very low109 Ų109149.9 Ų149.976%0.76281%0.805SS**  trans-94.4132.6161.1-73.80000109.8Y695Y695-S697 PolarHBondContact O-N 3.02Å
698S40.6Very low37.2Very low121 Ų121144.9 Ų144.985%0.84679%0.794SS**  trans-131.9112.6167.3-75.70000108.7
699Q34Very low37.3Very low185 Ų185151.5 Ų151.586%0.86480%0.795SS**  trans-82.8133.4175-65.8170.5-45.100109.1
700H39.5Very low37.6Very low191 Ų191151 Ų15188%0.88479%0.793SS**  trans-143.3136.8150-129.1-84.6000110.1
701V35Very low37.5Very low123 Ų123150.4 Ų150.475%0.74579%0.787SS**  trans-99.3143.5-173.3174.70000109.4
702M39.8Very low37.6Very low170 Ų170154.9 Ų154.984%0.83779%0.791SS**  trans-166.6139.1134.5-73.6-141.6-175.800112.5
703D38.2Very low37.7Very low137 Ų137153.8 Ų153.873%0.73379%0.789SS**  trans49.290.8147-60.60.8000123.9
704E36Very low37.8Very low145 Ų145150.2 Ų150.268%0.67878%0.78SS**  29.1116.4108.5-149-145.2141.100120.4
705K41.4Very low37.8Very low163 Ų163149.6 Ų149.671%0.70978%0.777SS**  174.3150.3109.6-92.9168.4-173.981.30117.7
706N39.8Very low38Very low152 Ų152147.9 Ų147.981%0.81378%0.776SS**  trans87122.3157.4-150.26.1000120
707V38.1Very low37.8Very low128 Ų128147.1 Ų147.178%0.77677%0.771SS**  trans-155.6121-177177.30000113.3
708P38.4Very low38Very low111 Ų111146.5 Ų146.572%0.72177%0.766SS**  trans-135.5150.913737.4-26.7000112.1
709R35.5Very low38Very low218 Ų218148.5 Ų148.582%0.82377%0.768SS**  cis84.8111.312.2-159.4-176.2-169.5175.85.7117.5
710Y39.5Very low38.2Very low228 Ų228144 Ų14489%0.89476%0.762SS**  trans-154.2161.4153.8-122-84.8000112
711T38.6Very low38.2Very low113 Ų113140.3 Ų140.369%0.69376%0.755SS**  trans-158.7-163-179.4-15.30000110.2
712Q37.7Very low38.3Very low159 Ų159141.2 Ų141.274%0.74376%0.756SS**  cis-167.7161.426.1-152.6174.6-102.400112.4
713V37.4Very low38.3Very low125 Ų125140.6 Ų140.676%0.75876%0.756SS**  trans60.4176.4171.5-1020000116.3
714V38.1Very low38.1Very low120 Ų120145 Ų14573%0.72776%0.764SS**  cis-148.2144.824.2-146.30000114.2
715T37Very low38.4Very low109 Ų109144.8 Ų144.867%0.66977%0.772SS**  trans21.5123.8157.656.50000125.4
716H36.3Very low38.4Very low174 Ų174145.4 Ų145.481%0.80678%0.778SS**  34160.3102.7-64.3-60.6000122.7
717P39.6Very low38.8Very low108 Ų108144.3 Ų144.370%0.70178%0.779SS**  cis-141.1-167-2236.9-15.2000115.6
718S38Very low38.9Very low96 Ų96141.2 Ų141.267%0.67177%0.773SS**  trans75.4106150.4-61.10000121.4
719D40Very low38.9Very low164 Ų164140.8 Ų140.888%0.87778%0.779SS**  172.1161.692.3-90.3-23.8000112
720A37.8Very low39.5Very low91 Ų91137.5 Ų137.575%0.75278%0.783SS**  trans-126.8169.7-175.200000111.8
721P41Very low39.6Very low112 Ų112135.3 Ų135.373%0.72778%0.78SS**  -150.3156.281.439.1-20.7000117.9
722N37.1Very low39.6Very low143 Ų143133.5 Ų133.577%0.76578%0.777SS**  trans34.2115.6143.2-55.9-1.8000121.2
723N38Very low40Very low156 Ų156134.8 Ų134.883%0.83478%0.783SS**  -159.112299.9-114.6-10.5000111.4
724Y35.3Very low40.2Very low231 Ų231136.9 Ų136.991%0.90679%0.789SS**  trans-138.1143.9170.8-80.5-80.9000108.9
725T42.3Very low41Very low139 Ų139138 Ų13885%0.85379%0.789SS**  trans-119.8133.8172.8-540000108.1
726E41.9Very low41.5Very low177 Ų177137.8 Ų137.883%0.82779%0.792SS**  trans-73.3141.4-172.2-61.9175.3108.200113.1
727P46.6Very low42.2Very low128 Ų128138.8 Ų138.883%0.83180%0.795SS**  trans-82.4101.4147.132.3-25.6000108.4A729P727-A729 PolarHBondContact O-N 3.45Å
728G41.2Very low42.7Very low63 Ų63145.3 Ų145.365%0.64982%0.824SS**  trans-63.1126.6-178.400000112.7
729A38.8Very low43Very low102 Ų102147.8 Ų147.884%0.84383%0.831SS**  trans-74.4133.717300000110.7P727P727-A729 PolarHBondContact O-N 3.45Å
730V47.4Very low43.1Very low150 Ų150146.9 Ų146.991%0.90983%0.829SS**  trans-114.799.4172.5-170.40000108.2
731E41.9Very low43.4Very low181 Ų181150 Ų15085%0.84683%0.833SS**  trans-89.9141-179.4-172.7175.4176.200111.6
732A39Very low43.6Very low75 Ų75152.2 Ų152.262%0.6284%0.839SS**  trans50.1112.9162.700000119.6
733Q45.1Very low44Very low186 Ų186152.8 Ų152.887%0.86984%0.844SS**  -146.6105.3118.8-115.5163.662.900110.3
734L42.2Very low44.4Very low170 Ų170152.6 Ų152.689%0.8985%0.845SS**  trans-71.7129.5162.4-88.593.9000108.2
735I54.2Low45Very low142 Ų142147 Ų14773%0.72884%0.84SS**  trans-101.2114165.4-63.5175.3000107.3F737I735-F737 HydrophobicContact CG2-CD2 3.63Å; I735-F737 HydrophobicContact CG2-CE2 3.74Å
736S47.5Very low45.2Very low105 Ų105147.6 Ų147.673%0.73484%0.839SS**  trans-110.7130.5165.257.50000109
737F52.5Low45.5Very low195 Ų195145.2 Ų145.286%0.85584%0.84SS**  trans-131148.4161.4-79.6-79.6000108.2I735I735-F737 HydrophobicContact CG2-CD2 3.63Å; I735-F737 HydrophobicContact CG2-CE2 3.74Å
738D49.6Very low45.4Very low245 Ų245146.7 Ų146.7100%1.3184%0.841SS**  trans-67.50173.6-64.7-73.8000112.6

Retrieved 738 of 738 residues in 330.3 ms (Link to these results)

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