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Protein ROLLING AND ERECT LEAF 2

Involved in the regulation of leaf shape formation1. May function by coordinating the expression of genes associated with leaf and bulliform cell development2.

AlphaFold DB , UniProt , Accession Q9AQW1, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene REL2, Length 767 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
1M44.9Very low67.6Low244 Ų24484.2 Ų84.2100%1.20249%0.494SS*.  0550-72.4-157.9-75.700111
2G53.6Low69.2Low60 Ų6087.7 Ų87.762%0.61951%0.509SS*.  trans-106.4-4.6-176.500000116.1T4G2-T4 VanDerWaalsContact C-N 3.33Å; G2-T4 PolarHBondContact O-N 3.15Å
3C60.7Low70.6Confident107 Ų10782.7 Ų82.772%0.72348%0.48SS*.Hα-helixtrans-78.6-9.1-169.1-550000114.9K7C3-K7 WeakPolarHBondContact O-CB 3.27Å; C3-K7 PolarHBondContact O-N 3.4Å; C3-K7 VanDerWaalsContact O-N 3.12Å
4T60.9Low72.1Confident76 Ų7676.8 Ų76.847%0.46645%0.446SS..Hα-helixtrans-76.3-39.7-175.555.60000112.6G2 K7 V8G2-T4 VanDerWaalsContact C-N 3.33Å; G2-T4 PolarHBondContact O-N 3.15Å; T4-K7 PolarHBondContact O-N 3.26Å; T4-V8 WeakPolarHBondContact O-CG2 3.32Å; T4-V8 PolarHBondContact O-N 3.07Å; T4-V8 VanDerWaalsContact O-N 3.15Å
5A64Low73.4Confident65 Ų6580.1 Ų80.154%0.53745%0.448SS..Hα-helixtrans-63.1-46.917500000110.8K7 V8 E9A5-K7 VanDerWaalsContact C-N 3.3Å; A5-K7 PolarHBondContact O-N 2.71Å; A5-V8 PolarHBondContact O-N 2.99Å; A5-E9 PolarHBondContact O-N 3.07Å; A5-E9 VanDerWaalsContact O-N 3.07Å
6S67.4Low74.4Confident64 Ų6478.5 Ų78.545%0.44843%0.433SS..Hα-helixtrans-58.7-39.2176.3-171.30000112.5Q10S6-Q10 VanDerWaalsContact O-CG 3.23Å; S6-Q10 WeakPolarHBondContact O-CG 3.34Å; S6-Q10 PolarHBondContact O-N 3.39Å; S6-Q10 PolarHBondContact OG-NE2 3.49Å
7K76.4Confident75.5Confident87 Ų8773.9 Ų73.938%0.37841%0.408SS..Hα-helixtrans-66.7-40.9177.5-164.4179.3-179.8-166.20112.5C3 T4 A5 Q10 I434C3-K7 WeakPolarHBondContact O-CB 3.27Å; C3-K7 PolarHBondContact O-N 3.4Å; C3-K7 VanDerWaalsContact O-N 3.12Å; T4-K7 PolarHBondContact O-N 3.26Å; A5-K7 VanDerWaalsContact C-N 3.3Å; A5-K7 PolarHBondContact O-N 2.71Å; K7-Q10 PolarHBondContact O-N 3.06Å; K7-I434 HydrophobicContact CB-CD1 4.39Å; K7-I434 HydrophobicContact CD-CD1 4.29Å; K7-I434 HydrophobicContact CD-CG1 4.49Å; K7-I434 HydrophobicContact CD-CG2 4.1Å; K7-I434 HydrophobicContact CG-CD1 4.04Å
8V77.4Confident76.5Confident11 Ų1175.1 Ų75.17%0.06741%0.408CS..Hα-helixtrans-65.7-42.4178.5176.40000111.3T4 A5 Q10 E11 V14 K427 E430 I434T4-V8 WeakPolarHBondContact O-CG2 3.32Å; T4-V8 PolarHBondContact O-N 3.07Å; T4-V8 VanDerWaalsContact O-N 3.15Å; A5-V8 PolarHBondContact O-N 2.99Å; V8-Q10 PolarHBondContact O-N 2.89Å; V8-E11 WeakPolarHBondContact O-CB 3.42Å; V8-E11 PolarHBondContact O-N 3.16Å; V8-V14 HydrophobicContact CG1-CG2 4.26Å; V8-V14 WeakPolarHBondContact O-CG2 3.38Å; V8-K427 HydrophobicContact CG1-CG 3.87Å; V8-E430 HydrophobicContact CG1-CB 4.43Å; V8-I434 HydrophobicContact CB-CD1 4.34Å; V8-I434 HydrophobicContact CG2-CD1 3.66Å
9E74.3Confident77.4Confident47 Ų4773.6 Ų73.622%0.2240%0.398CS..Hα-helixtrans-69.4-18.1178.3-65.3-64.3152.400113.2A5 R15 Y423 K427A5-E9 PolarHBondContact O-N 3.07Å; A5-E9 VanDerWaalsContact O-N 3.07Å; E9-R15 VanDerWaalsContact O-CG 3.23Å; E9-R15 WeakPolarHBondContact O-CG 3.39Å; E9-R15 PolarHBondContact O-NE 3.49Å; E9-Y423 PolarHBondContact OE1-OH 3.19Å; E9-Y423 VanDerWaalsContact OE1-OH 3.09Å; E9-Y423 PolarHBondContact OE2-OH 2.9Å; E9-Y423 VanDerWaalsContact OE2-OH 3.14Å; E9-K427 WeakPolarHBondContact OE1-CE 3.43Å; E9-K427 IonicContact OE1-NZ 2.71Å; E9-K427 PolarHBondContact OE1-NZ 2.69Å
10Q77.5Confident78.3Confident106 Ų10670.5 Ų70.550%0.49538%0.38SS..THydrogen-bonded Turntrans-81.7-13.6174.7-74.6174.924.400113.4S6 K7 V8 D12S6-Q10 VanDerWaalsContact O-CG 3.23Å; S6-Q10 WeakPolarHBondContact O-CG 3.34Å; S6-Q10 PolarHBondContact O-N 3.39Å; S6-Q10 PolarHBondContact OG-NE2 3.49Å; K7-Q10 PolarHBondContact O-N 3.06Å; V8-Q10 PolarHBondContact O-N 2.89Å; Q10-D12 PolarHBondContact O-N 2.73Å
11E86.9Confident79Confident59 Ų5969.4 Ų69.428%0.27637%0.371SS..SBendtrans-65.6126.8177.2-65-62.4153.200110.5V8 T13 V14 R15 E430 I434V8-E11 WeakPolarHBondContact O-CB 3.42Å; V8-E11 PolarHBondContact O-N 3.16Å; E11-T13 PolarHBondContact O-N 3.19Å; E11-V14 HydrophobicContact CB-CB 4.46Å; E11-V14 HydrophobicContact CB-CG2 4.13Å; E11-V14 PolarHBondContact O-N 2.93Å; E11-R15 PolarHBondContact O-N 3.21Å; E11-E430 HydrophobicContact CB-CG 4.3Å; E11-E430 HydrophobicContact CG-CB 4.25Å; E11-E430 HydrophobicContact CG-CG 4.46Å; E11-I434 HydrophobicContact CG-CD1 4.12Å
12D87Confident81.5Confident126 Ų12662.9 Ų62.967%0.67433%0.333SS*.Hα-helixtrans-55.3-32.7-175.8-71.4-28.9000112.5Q10 R16Q10-D12 PolarHBondContact O-N 2.73Å; D12-R16 VanDerWaalsContact O-CB 3.31Å; D12-R16 WeakPolarHBondContact O-CB 3.43Å; D12-R16 PolarHBondContact O-N 2.82Å
13T87.5Confident83.5Confident23 Ų2361.8 Ų61.814%0.14131%0.312CS..Hα-helixtrans-67.4-39.9178.763.10000112.4E11 C17 E430 V583E11-T13 PolarHBondContact O-N 3.19Å; T13-C17 PolarHBondContact O-N 3.43Å; T13-C17 PolarHBondContact O-SG 3.09Å; T13-E430 VanDerWaalsContact OG1-CG 3.24Å; T13-E430 WeakPolarHBondContact OG1-CG 3.39Å; T13-E430 PolarHBondContact OG1-OE1 2.95Å; T13-V583 VanDerWaalsContact CB-CG1 3.46Å; T13-V583 HydrophobicContact CG2-CG1 3.37Å
14V91.3Very high85.2Confident0 Ų056.7 Ų56.70%028%0.277CS..Hα-helixtrans-71.2-46.2177.2177.90000109.9V8 E11 R16 C17 K18 Y423 V426 E430V8-V14 HydrophobicContact CG1-CG2 4.26Å; V8-V14 WeakPolarHBondContact O-CG2 3.38Å; E11-V14 HydrophobicContact CB-CB 4.46Å; E11-V14 HydrophobicContact CB-CG2 4.13Å; E11-V14 PolarHBondContact O-N 2.93Å; V14-R16 VanDerWaalsContact C-N 3.31Å; V14-R16 PolarHBondContact O-N 3.43Å; V14-C17 PolarHBondContact O-N 2.9Å; V14-C17 VanDerWaalsContact O-N 3.15Å; V14-K18 PolarHBondContact O-N 2.87Å; V14-Y423 HydrophobicContact CG1-CD2 4.45Å; V14-Y423 HydrophobicContact CG1-CE2 3.71Å; V14-V426 HydrophobicContact CG2-CG1 4.14Å; V14-E430 HydrophobicContact CG2-CB 4.07Å; V14-E430 HydrophobicContact CG2-CG 3.78Å
15R91Very high86.9Confident126 Ų12659.8 Ų59.848%0.47528%0.284SS..Hα-helixtrans-56.2-44.8175.8-70.4178.9168.4178-9.9112.1E9 E11 C17 K18 E19E9-R15 VanDerWaalsContact O-CG 3.23Å; E9-R15 WeakPolarHBondContact O-CG 3.39Å; E9-R15 PolarHBondContact O-NE 3.49Å; E11-R15 PolarHBondContact O-N 3.21Å; R15-C17 PolarHBondContact O-N 2.81Å; R15-K18 WeakPolarHBondContact O-CB 3.44Å; R15-K18 PolarHBondContact O-N 2.85Å; R15-E19 WeakPolarHBondContact O-CB 3.38Å; R15-E19 PolarHBondContact O-N 3.21Å
16R90.2Very high88.5Confident55 Ų5560.3 Ų60.321%0.20828%0.275CS..Hα-helixtrans-63-41.3177.1-170.2-169.4-170.1114.312112.8D12 V14 E19 R20 L578 F581D12-R16 VanDerWaalsContact O-CB 3.31Å; D12-R16 WeakPolarHBondContact O-CB 3.43Å; D12-R16 PolarHBondContact O-N 2.82Å; V14-R16 VanDerWaalsContact C-N 3.31Å; V14-R16 PolarHBondContact O-N 3.43Å; R16-E19 PolarHBondContact O-N 3.01Å; R16-R20 WeakPolarHBondContact O-CG 3.49Å; R16-R20 PolarHBondContact O-N 2.71Å; R16-L578 VanDerWaalsContact CZ-O 3.3Å; R16-L578 PolarHBondContact NE-O 3.41Å; R16-L578 PolarHBondContact NH2-O 2.89Å; R16-F581 PolarHBondContact NE-O 3.2Å; R16-F581 VanDerWaalsContact NH2-CG 3.33Å; R16-F581 PolarHBondContact NH2-O 3.34Å; R16-F581 VanDerWaalsContact NH2-O 3.11Å
17C92.2Very high89.9Confident0 Ų057.3 Ų57.30%025%0.254CS..Hα-helixtrans-68.2-37.6176.6-65.90000111.6T13 V14 R15 E19 R20 R21 Y423T13-C17 PolarHBondContact O-N 3.43Å; T13-C17 PolarHBondContact O-SG 3.09Å; V14-C17 PolarHBondContact O-N 2.9Å; V14-C17 VanDerWaalsContact O-N 3.15Å; R15-C17 PolarHBondContact O-N 2.81Å; C17-E19 VanDerWaalsContact C-N 3.31Å; C17-E19 PolarHBondContact O-N 3.31Å; C17-R20 PolarHBondContact O-N 3.26Å; C17-R21 WeakPolarHBondContact O-CB 3.46Å; C17-R21 PolarHBondContact O-N 3.37Å; C17-Y423 HydrophobicContact CB-CD2 4.08Å
18K93.5Very high90.8Very high95 Ų9553.9 Ų53.941%0.41324%0.24SC..Hα-helixtrans-58.4-44.8172.5-171.2178.8179.8178.70110.9V14 R15 R21 R22 Y423V14-K18 PolarHBondContact O-N 2.87Å; R15-K18 WeakPolarHBondContact O-CB 3.44Å; R15-K18 PolarHBondContact O-N 2.85Å; K18-R21 WeakPolarHBondContact O-CB 3.48Å; K18-R21 PolarHBondContact O-N 3.19Å; K18-R22 PolarHBondContact O-N 3.46Å; K18-Y423 HydrophobicContact CB-CD2 4.13Å; K18-Y423 HydrophobicContact CB-CE2 3.82Å; K18-Y423 HydrophobicContact CG-CE2 4.35Å
19E93.8Very high91.6Very high47 Ų4755.3 Ų55.322%0.2225%0.253CS..Hα-helixtrans-68.1-45179-17256.5-139.500112.9R15 R16 C17 R21 R22 H23 L578R15-E19 WeakPolarHBondContact O-CB 3.38Å; R15-E19 PolarHBondContact O-N 3.21Å; R16-E19 PolarHBondContact O-N 3.01Å; C17-E19 VanDerWaalsContact C-N 3.31Å; C17-E19 PolarHBondContact O-N 3.31Å; E19-R21 VanDerWaalsContact C-N 3.28Å; E19-R21 PolarHBondContact O-N 3.03Å; E19-R22 WeakPolarHBondContact O-CB 3.35Å; E19-R22 PolarHBondContact O-N 2.96Å; E19-R22 IonicContact OE1-CZ 3.91Å; E19-R22 IonicContact OE1-NE 3.69Å; E19-R22 PolarHBondContact OE1-NE 3.34Å; E19-R22 IonicContact OE1-NH2 3.6Å; E19-R22 PolarHBondContact OE1-NH2 3.47Å; E19-R22 IonicContact OE2-CZ 3.48Å; E19-R22 IonicContact OE2-NE 3.83Å; E19-R22 PolarHBondContact OE2-NE 3.36Å; E19-R22 VanDerWaalsContact OE2-NE 3.15Å; E19-R22 IonicContact OE2-NH1 3.24Å; E19-R22 IonicContact OE2-NH2 3.43Å; E19-R22 PolarHBondContact OE2-NH2 2.96Å; E19-H23 PolarHBondContact O-N 3.21Å; E19-H23 IonicContact OE1-CD2 2.74Å; E19-H23 IonicContact OE1-CE1 2.8Å; E19-H23 PolarHBondContact OE1-CE1 3.49Å; E19-H23 IonicContact OE1-CG 3.32Å; E19-H23 IonicContact OE1-ND1 3.51Å; E19-H23 IonicContact OE1-NE2 3.6Å; E19-H23 PolarHBondContact OE1-NE2 3Å; E19-L578 HydrophobicContact CB-CD1 3.93Å; E19-L578 HydrophobicContact CG-CD1 3.35Å
20R94.7Very high92.6Very high11 Ų1153.6 Ų53.64%0.04225%0.247CC..Hα-helixtrans-55.9-44.3173.4-76.5171.157.5173.51.8111.8R16 C17 R22 H23 M24 E419 L578R16-R20 WeakPolarHBondContact O-CG 3.49Å; R16-R20 PolarHBondContact O-N 2.71Å; C17-R20 PolarHBondContact O-N 3.26Å; R20-R22 VanDerWaalsContact C-N 3.34Å; R20-R22 PolarHBondContact O-N 3.04Å; R20-H23 PolarHBondContact O-N 3.25Å; R20-M24 WeakPolarHBondContact O-CB 3.46Å; R20-M24 PolarHBondContact O-N 2.94Å; R20-E419 IonicContact CZ-OE1 3.87Å; R20-E419 IonicContact CZ-OE2 2.72Å; R20-E419 IonicContact NE-OE1 3.9Å; R20-E419 PolarHBondContact NE-OE1 3.47Å; R20-E419 IonicContact NE-OE2 3.89Å; R20-E419 PolarHBondContact NE-OE2 2.7Å; R20-E419 IonicContact NH2-OE1 3.84Å; R20-E419 PolarHBondContact NH2-OE1 3.14Å; R20-E419 IonicContact NH2-OE2 3.69Å; R20-E419 PolarHBondContact NH2-OE2 2.93Å; R20-L578 HydrophobicContact CG-CB 3.55Å; R20-L578 HydrophobicContact CG-CD1 4.11Å
21R94.6Very high93.4Very high48 Ų4849.1 Ų49.118%0.18123%0.225CC..Hα-helixtrans-61.1-41175.7-176.5-172.976.1171.210.4111.6C17 K18 E19 K25 E230 K420C17-R21 WeakPolarHBondContact O-CB 3.46Å; C17-R21 PolarHBondContact O-N 3.37Å; K18-R21 WeakPolarHBondContact O-CB 3.48Å; K18-R21 PolarHBondContact O-N 3.19Å; E19-R21 VanDerWaalsContact C-N 3.28Å; E19-R21 PolarHBondContact O-N 3.03Å; R21-K25 WeakPolarHBondContact O-CB 3.36Å; R21-K25 PolarHBondContact O-N 3.48Å; R21-E230 IonicContact NH2-OE1 2.76Å; R21-E230 PolarHBondContact NH2-OE1 2.99Å; R21-K420 HydrophobicContact CG-CG 4.19Å
22R96.4Very high93.7Very high108 Ų10848.3 Ų48.341%0.40822%0.222SC..Hα-helixtrans-60.6-54.3176-179.6175.473.3167.16.5111.2K18 E19 R20 M24 K25 E26 E234K18-R22 PolarHBondContact O-N 3.46Å; E19-R22 WeakPolarHBondContact O-CB 3.35Å; E19-R22 PolarHBondContact O-N 2.96Å; E19-R22 IonicContact OE1-CZ 3.91Å; E19-R22 IonicContact OE1-NE 3.69Å; E19-R22 PolarHBondContact OE1-NE 3.34Å; E19-R22 IonicContact OE1-NH2 3.6Å; E19-R22 PolarHBondContact OE1-NH2 3.47Å; E19-R22 IonicContact OE2-CZ 3.48Å; E19-R22 IonicContact OE2-NE 3.83Å; E19-R22 PolarHBondContact OE2-NE 3.36Å; E19-R22 VanDerWaalsContact OE2-NE 3.15Å; E19-R22 IonicContact OE2-NH1 3.24Å; E19-R22 IonicContact OE2-NH2 3.43Å; E19-R22 PolarHBondContact OE2-NH2 2.96Å; R20-R22 VanDerWaalsContact C-N 3.34Å; R20-R22 PolarHBondContact O-N 3.04Å; R22-M24 VanDerWaalsContact C-N 3.32Å; R22-M24 PolarHBondContact O-N 3.39Å; R22-K25 WeakPolarHBondContact O-CB 3.3Å; R22-K25 PolarHBondContact O-N 3.24Å; R22-K25 VanDerWaalsContact O-N 3.08Å; R22-E26 WeakPolarHBondContact CG-OE1 3.44Å; R22-E26 WeakPolarHBondContact O-CG 3.45Å; R22-E26 PolarHBondContact O-N 3.48Å; R22-E234 IonicContact NH1-OE1 3.12Å
23H96.5Very high94Very high37 Ų3746.2 Ų46.217%0.17121%0.208CC..Hα-helixtrans-61.5-36.9179.1-76.2-41.6000113.5E19 R20 E26 A27 G574 W575E19-H23 PolarHBondContact O-N 3.21Å; E19-H23 IonicContact OE1-CD2 2.74Å; E19-H23 IonicContact OE1-CE1 2.8Å; E19-H23 PolarHBondContact OE1-CE1 3.49Å; E19-H23 IonicContact OE1-CG 3.32Å; E19-H23 IonicContact OE1-ND1 3.51Å; E19-H23 IonicContact OE1-NE2 3.6Å; E19-H23 PolarHBondContact OE1-NE2 3Å; R20-H23 PolarHBondContact O-N 3.25Å; H23-E26 IonicContact CE1-OE2 2.82Å; H23-E26 IonicContact ND1-OE2 3.6Å; H23-E26 PolarHBondContact ND1-OE2 3.17Å; H23-E26 PolarHBondContact O-N 3.2Å; H23-A27 WeakPolarHBondContact O-CB 3.49Å; H23-A27 PolarHBondContact O-N 3.23Å; H23-G574 VanDerWaalsContact CD2-C 3.42Å; H23-W575 HydrophobicContact CB-CB 3.82Å
24M96.4Very high94.4Very high0 Ų045.3 Ų45.30%020%0.202CC..Hα-helixtrans-67.7-37.3175.1-174.254.662.300111.9R20 R22 A27 V28 L412 L415 L416 E419 W575R20-M24 WeakPolarHBondContact O-CB 3.46Å; R20-M24 PolarHBondContact O-N 2.94Å; R22-M24 VanDerWaalsContact C-N 3.32Å; R22-M24 PolarHBondContact O-N 3.39Å; M24-A27 PolarHBondContact O-N 2.96Å; M24-V28 WeakPolarHBondContact O-CG2 3.44Å; M24-V28 PolarHBondContact O-N 3.45Å; M24-L412 HydrophobicContact SD-CD2 4.24Å; M24-L415 HydrophobicContact CE-CB 3.93Å; M24-L415 HydrophobicContact CE-CD1 4.12Å; M24-L415 HydrophobicContact CG-CB 4.38Å; M24-L415 HydrophobicContact SD-CB 3.88Å; M24-L416 HydrophobicContact CB-CD1 4.29Å; M24-L416 HydrophobicContact CG-CB 3.86Å; M24-L416 HydrophobicContact CG-CD1 4.14Å; M24-E419 HydrophobicContact CB-CG 4.35Å; M24-E419 HydrophobicContact CG-CG 4.41Å; M24-W575 HydrophobicContact CE-CD2 3.29Å; M24-W575 HydrophobicContact CE-CE3 3.72Å; M24-W575 HydrophobicContact CE-CG 3.66Å; M24-W575 HydrophobicContact CE-CH2 4.05Å; M24-W575 HydrophobicContact CE-CZ2 3.66Å; M24-W575 HydrophobicContact CE-CZ3 4.09Å
25K96.6Very high94.5Very high140 Ų14045.3 Ų45.361%0.60920%0.202SC*.Hα-helixtrans-62.7-43.6173.4-175.5-175.5177.7-174.50111R21 R22 V28 A29 L416R21-K25 WeakPolarHBondContact O-CB 3.36Å; R21-K25 PolarHBondContact O-N 3.48Å; R22-K25 WeakPolarHBondContact O-CB 3.3Å; R22-K25 PolarHBondContact O-N 3.24Å; R22-K25 VanDerWaalsContact O-N 3.08Å; K25-V28 PolarHBondContact O-N 3.1Å; K25-A29 PolarHBondContact O-N 2.87Å; K25-A29 VanDerWaalsContact O-N 3.08Å; K25-L416 HydrophobicContact CB-CD1 4.04Å
26E96.7Very high94.6Very high77 Ų7739.6 Ų39.636%0.3618%0.182SC..Hα-helixtrans-62-44.1173.7-70.7166.4-178.900111.5R22 H23 V28 A29 S30 A571R22-E26 WeakPolarHBondContact CG-OE1 3.44Å; R22-E26 WeakPolarHBondContact O-CG 3.45Å; R22-E26 PolarHBondContact O-N 3.48Å; H23-E26 IonicContact CE1-OE2 2.82Å; H23-E26 IonicContact ND1-OE2 3.6Å; H23-E26 PolarHBondContact ND1-OE2 3.17Å; H23-E26 PolarHBondContact O-N 3.2Å; E26-V28 PolarHBondContact O-N 3.23Å; E26-A29 PolarHBondContact O-N 3.11Å; E26-S30 WeakPolarHBondContact O-CB 3.41Å; E26-S30 PolarHBondContact O-N 2.87Å; E26-S30 PolarHBondContact O-OG 3.3Å; E26-S30 VanDerWaalsContact O-OG 3.07Å; E26-A571 HydrophobicContact CB-CB 3.93Å
27A96.3Very high94.8Very high0 Ų037.1 Ų37.10%017%0.173CC..Hα-helixtrans-60.6-43.9178.500000111.9H23 M24 R31 Y568 A571 L572H23-A27 WeakPolarHBondContact O-CB 3.49Å; H23-A27 PolarHBondContact O-N 3.23Å; M24-A27 PolarHBondContact O-N 2.96Å; A27-R31 VanDerWaalsContact O-CB 3.3Å; A27-R31 WeakPolarHBondContact O-CB 3.44Å; A27-R31 PolarHBondContact O-N 2.91Å; A27-Y568 WeakPolarHBondContact O-CD2 3.37Å; A27-A571 HydrophobicContact CB-CB 3.94Å; A27-L572 HydrophobicContact CB-CD2 3.92Å; A27-L572 HydrophobicContact CB-CG 4.22Å
28V95.1Very high95Very high15 Ų1537.2 Ų37.29%0.09117%0.173CC..Hα-helixtrans-61.3-44.8174.7172.70000111.3M24 K25 E26 R31 Q32 L412 E413 L416M24-V28 WeakPolarHBondContact O-CG2 3.44Å; M24-V28 PolarHBondContact O-N 3.45Å; K25-V28 PolarHBondContact O-N 3.1Å; E26-V28 PolarHBondContact O-N 3.23Å; V28-R31 PolarHBondContact O-N 3.32Å; V28-Q32 WeakPolarHBondContact O-CG 3.37Å; V28-Q32 PolarHBondContact O-N 3.05Å; V28-L412 HydrophobicContact CG2-CB 3.88Å; V28-E413 HydrophobicContact CG1-CG 4.45Å; V28-L416 HydrophobicContact CG2-CB 4.26Å; V28-L416 HydrophobicContact CG2-CD2 4.18Å
29A94.8Very high95Very high41 Ų4133.3 Ų33.334%0.33916%0.158SC..Hα-helixtrans-65.5-47.5178.900000112.2K25 E26 R31 Q32 Q33K25-A29 PolarHBondContact O-N 2.87Å; K25-A29 VanDerWaalsContact O-N 3.08Å; E26-A29 PolarHBondContact O-N 3.11Å; A29-R31 VanDerWaalsContact C-N 3.32Å; A29-R31 PolarHBondContact O-N 2.96Å; A29-Q32 PolarHBondContact O-N 3.02Å; A29-Q33 WeakPolarHBondContact O-CG 3.34Å; A29-Q33 PolarHBondContact O-N 3.35Å
30S95Very high95Very high12 Ų1231.9 Ų31.98%0.08415%0.152CC..Hα-helixtrans-62.9-36.1177.8-64.50000111.9E26 Q33 L34E26-S30 WeakPolarHBondContact O-CB 3.41Å; E26-S30 PolarHBondContact O-N 2.87Å; E26-S30 PolarHBondContact O-OG 3.3Å; E26-S30 VanDerWaalsContact O-OG 3.07Å; S30-Q33 PolarHBondContact O-N 3.36Å; S30-L34 WeakPolarHBondContact O-CB 3.22Å; S30-L34 PolarHBondContact O-N 3.08Å
31R94.5Very high95.1Very high12 Ų1231.5 Ų31.55%0.04515%0.151CC..Hα-helixtrans-60.6-46.4172.7-172.9-132.584.797.25111.8A27 V28 A29 Q33 L34 A35 L349 L412 Y568A27-R31 VanDerWaalsContact O-CB 3.3Å; A27-R31 WeakPolarHBondContact O-CB 3.44Å; A27-R31 PolarHBondContact O-N 2.91Å; V28-R31 PolarHBondContact O-N 3.32Å; A29-R31 VanDerWaalsContact C-N 3.32Å; A29-R31 PolarHBondContact O-N 2.96Å; R31-Q33 VanDerWaalsContact C-N 3.35Å; R31-L34 PolarHBondContact O-N 3.41Å; R31-A35 VanDerWaalsContact O-CB 3.29Å; R31-A35 WeakPolarHBondContact O-CB 3.3Å; R31-A35 PolarHBondContact O-N 2.83Å; R31-L349 PolarHBondContact NH1-O 2.84Å; R31-L349 PolarHBondContact NH2-O 3.44Å; R31-L412 HydrophobicContact CB-CD1 4.06Å; R31-L412 HydrophobicContact CG-CD1 3.83Å; R31-Y568 HydrophobicContact CB-CD2 3.91Å; R31-Y568 HydrophobicContact CB-CE2 3.69Å; R31-Y568 HydrophobicContact CG-CE2 4.19Å
32Q93.1Very high95.1Very high42 Ų4229.4 Ų29.420%0.19614%0.144CC..Hα-helixtrans-62.7-42.2177-69.8176.52.400111.5V28 A29 S36V28-Q32 WeakPolarHBondContact O-CG 3.37Å; V28-Q32 PolarHBondContact O-N 3.05Å; A29-Q32 PolarHBondContact O-N 3.02Å; Q32-S36 PolarHBondContact O-N 3.15Å
33Q94.7Very high95Very high81 Ų8128.7 Ų28.738%0.37914%0.141SC..Hα-helixtrans-66.7-42.6177.3-69.8173.2-15.800112.2A29 S30 R31 S36 A37 Y564A29-Q33 WeakPolarHBondContact O-CG 3.34Å; A29-Q33 PolarHBondContact O-N 3.35Å; S30-Q33 PolarHBondContact O-N 3.36Å; R31-Q33 VanDerWaalsContact C-N 3.35Å; Q33-S36 PolarHBondContact O-N 3.2Å; Q33-A37 VanDerWaalsContact O-CB 3.3Å; Q33-A37 WeakPolarHBondContact O-CB 3.43Å; Q33-A37 PolarHBondContact O-N 2.87Å; Q33-Y564 HydrophobicContact CB-CD1 3.58Å; Q33-Y564 HydrophobicContact CB-CD2 4.01Å; Q33-Y564 HydrophobicContact CB-CE1 3.75Å; Q33-Y564 HydrophobicContact CB-CE2 4.16Å; Q33-Y564 HydrophobicContact CB-CG 3.72Å; Q33-Y564 HydrophobicContact CG-CD1 4.33Å; Q33-Y564 HydrophobicContact CG-CE1 4.07Å; Q33-Y564 VanDerWaalsContact OE1-CD1 3.23Å
34L95.3Very high95Very high5 Ų527 Ų273%0.02613%0.133CC..Hα-helixtrans-60.4-48.9174.9174.657.5000111S30 R31 S36 A37 H38 L349 L561 Q565 Y568S30-L34 WeakPolarHBondContact O-CB 3.22Å; S30-L34 PolarHBondContact O-N 3.08Å; R31-L34 PolarHBondContact O-N 3.41Å; L34-S36 VanDerWaalsContact C-N 3.32Å; L34-S36 PolarHBondContact O-N 2.92Å; L34-A37 PolarHBondContact O-N 2.74Å; L34-H38 VanDerWaalsContact O-CB 3.22Å; L34-H38 WeakPolarHBondContact O-CB 3.43Å; L34-H38 PolarHBondContact O-N 3.49Å; L34-L349 HydrophobicContact CD2-CD1 4.37Å; L34-L349 HydrophobicContact CD2-CD2 4.23Å; L34-L349 HydrophobicContact CG-CD1 4.03Å; L34-L561 HydrophobicContact CD1-CD1 3.87Å; L34-Q565 HydrophobicContact CD1-CB 3.88Å; L34-Y568 HydrophobicContact CD2-CD1 3.85Å; L34-Y568 HydrophobicContact CD2-CG 4.18Å
35A93.8Very high95Very high0 Ų027 Ų270%013%0.133CC..Hα-helixtrans-58.7-43.4178.200000111.9R31 A39 L349 A351 A354R31-A35 VanDerWaalsContact O-CB 3.29Å; R31-A35 WeakPolarHBondContact O-CB 3.3Å; R31-A35 PolarHBondContact O-N 2.83Å; A35-A39 PolarHBondContact O-N 2.91Å; A35-L349 HydrophobicContact CB-CB 3.97Å; A35-L349 WeakPolarHBondContact CB-O 3.36Å; A35-A351 HydrophobicContact CB-CB 4.42Å; A35-A351 WeakPolarHBondContact O-CB 3.38Å; A35-A354 HydrophobicContact CB-CB 3.58Å
36S92.8Very high94.9Very high6 Ų624.3 Ų24.34%0.04212%0.119CC..Hα-helixtrans-67.1-44.7175.2178.40000112.7Q32 Q33 L34 H38 A39 D40 R358Q32-S36 PolarHBondContact O-N 3.15Å; Q33-S36 PolarHBondContact O-N 3.2Å; L34-S36 VanDerWaalsContact C-N 3.32Å; L34-S36 PolarHBondContact O-N 2.92Å; S36-H38 VanDerWaalsContact C-N 3.29Å; S36-H38 PolarHBondContact O-N 3.3Å; S36-A39 PolarHBondContact O-N 3.12Å; S36-D40 WeakPolarHBondContact O-CB 3.37Å; S36-D40 VanDerWaalsContact O-CG 3.28Å; S36-D40 PolarHBondContact O-N 3.29Å; S36-R358 WeakPolarHBondContact OG-CD 3.42Å; S36-R358 PolarHBondContact OG-NH1 2.89Å
37A94.9Very high94.9Very high3 Ų325.1 Ų25.13%0.02513%0.125CC..Hα-helixtrans-66.5-33.9-179.800000112Q33 L34 D40 Y41 R560 Y564Q33-A37 VanDerWaalsContact O-CB 3.3Å; Q33-A37 WeakPolarHBondContact O-CB 3.43Å; Q33-A37 PolarHBondContact O-N 2.87Å; L34-A37 PolarHBondContact O-N 2.74Å; A37-D40 PolarHBondContact O-N 3.43Å; A37-Y41 VanDerWaalsContact O-CB 3.28Å; A37-Y41 WeakPolarHBondContact O-CB 3.41Å; A37-Y41 PolarHBondContact O-N 3.41Å; A37-R560 HydrophobicContact CB-CB 4.07Å; A37-Y564 HydrophobicContact CB-CD2 3.66Å; A37-Y564 HydrophobicContact CB-CE2 4.25Å
38H95.1Very high94.9Very high1 Ų125.3 Ų25.31%0.00513%0.127CC..Hα-helixtrans-61.5-51.8173.1-170.3-89.3000111.6L34 S36 D40 Y41 L42 G342 S346 L349 M506 L561L34-H38 VanDerWaalsContact O-CB 3.22Å; L34-H38 WeakPolarHBondContact O-CB 3.43Å; L34-H38 PolarHBondContact O-N 3.49Å; S36-H38 VanDerWaalsContact C-N 3.29Å; S36-H38 PolarHBondContact O-N 3.3Å; H38-D40 VanDerWaalsContact C-N 3.33Å; H38-D40 PolarHBondContact O-N 3.21Å; H38-Y41 PolarHBondContact O-N 3.37Å; H38-L42 WeakPolarHBondContact O-CG 3.48Å; H38-L42 PolarHBondContact O-N 3.38Å; H38-G342 PolarHBondContact CE1-O 3.47Å; H38-G342 VanDerWaalsContact CE1-O 3.24Å; H38-S346 PolarHBondContact CE1-OG 3.24Å; H38-S346 VanDerWaalsContact CE1-OG 3.25Å; H38-S346 PolarHBondContact ND1-OG 3.38Å; H38-L349 HydrophobicContact CB-CD1 4.26Å; H38-M506 PolarHBondContact NE2-SD 3.49Å; H38-L561 HydrophobicContact CB-CD1 4.15Å
39A93.9Very high94.9Very high13 Ų1324.6 Ų24.611%0.10712%0.123CC..Hα-helixtrans-60.3-41.5176.100000112.6A35 S36 L42 R43 A351A35-A39 PolarHBondContact O-N 2.91Å; S36-A39 PolarHBondContact O-N 3.12Å; A39-L42 PolarHBondContact O-N 3.31Å; A39-R43 WeakPolarHBondContact O-CB 3.36Å; A39-R43 PolarHBondContact O-N 3.12Å; A39-A351 HydrophobicContact CB-CB 4.21Å
40D94.2Very high94.9Very high17 Ų1723.8 Ų23.89%0.09112%0.116CC..Hα-helixtrans-65.6-38.7177.5-71.7-13.1000112.1S36 A37 H38 R43 S44 R358 N557S36-D40 WeakPolarHBondContact O-CB 3.37Å; S36-D40 VanDerWaalsContact O-CG 3.28Å; S36-D40 PolarHBondContact O-N 3.29Å; A37-D40 PolarHBondContact O-N 3.43Å; H38-D40 VanDerWaalsContact C-N 3.33Å; H38-D40 PolarHBondContact O-N 3.21Å; D40-R43 PolarHBondContact O-N 3.04Å; D40-R43 IonicContact OD1-CZ 3.39Å; D40-R43 IonicContact OD1-NH1 2.87Å; D40-R43 PolarHBondContact OD1-NH1 3.08Å; D40-S44 WeakPolarHBondContact O-CB 3.34Å; D40-S44 PolarHBondContact O-N 3.29Å; D40-S44 PolarHBondContact O-OG 3.44Å; D40-R358 IonicContact OD2-CZ 2.65Å; D40-R358 IonicContact OD2-NH1 3.24Å; D40-R358 PolarHBondContact OD2-NH1 3.37Å; D40-R358 IonicContact OD2-NH2 2.85Å; D40-N557 HydrophobicContact CB-CB 4.48Å; D40-N557 PolarHBondContact O-ND2 3.36Å; D40-N557 VanDerWaalsContact O-ND2 3.12Å
41Y96Very high95Very high4 Ų423.3 Ų23.32%0.01611%0.113CC..Hα-helixtrans-61.9-51.8174.9176.7-104.4000111.3A37 H38 R43 S44 L45 M510 W554 F558 L561A37-Y41 VanDerWaalsContact O-CB 3.28Å; A37-Y41 WeakPolarHBondContact O-CB 3.41Å; A37-Y41 PolarHBondContact O-N 3.41Å; H38-Y41 PolarHBondContact O-N 3.37Å; Y41-R43 VanDerWaalsContact C-N 3.28Å; Y41-R43 PolarHBondContact O-N 3.24Å; Y41-S44 WeakPolarHBondContact CA-OG 3.39Å; Y41-S44 PolarHBondContact O-N 3.01Å; Y41-S44 PolarHBondContact O-OG 3.18Å; Y41-L45 HydrophobicContact CD1-CD1 4.28Å; Y41-L45 HydrophobicContact CE1-CD1 3.75Å; Y41-L45 HydrophobicContact CE1-CG 4.28Å; Y41-L45 HydrophobicContact CE2-CD2 4.47Å; Y41-L45 PolarHBondContact O-N 3.32Å; Y41-M510 HydrophobicContact CE1-CE 3.82Å; Y41-M510 HydrophobicContact CE1-SD 3.98Å; Y41-W554 AromaticContact CE2-CD1 3.74Å; Y41-W554 AromaticContact CE2-NE1 3.44Å; Y41-F558 HydrophobicContact CD2-CB 4.23Å; Y41-F558 HydrophobicContact CE2-CB 4.03Å; Y41-F558 AromaticContact CE2-CD2 3.93Å; Y41-F558 HydrophobicContact CE2-CD2 3.93Å; Y41-F558 HydrophobicContact CE2-CG 4.5Å; Y41-L561 HydrophobicContact CD1-CD2 3.65Å; Y41-L561 HydrophobicContact CD2-CD2 4.27Å; Y41-L561 HydrophobicContact CE1-CD2 4.08Å; Y41-L561 HydrophobicContact CG-CD2 3.76Å
42L95Very high95Very high4 Ų423.1 Ų23.12%0.02111%0.112CC..Hα-helixtrans-61.6-36177.6-59.2-179.7000112.5H38 A39 L45 R46 A339 S346H38-L42 WeakPolarHBondContact O-CG 3.48Å; H38-L42 PolarHBondContact O-N 3.38Å; A39-L42 PolarHBondContact O-N 3.31Å; L42-L45 HydrophobicContact CD2-CD1 4.48Å; L42-R46 PolarHBondContact O-N 2.67Å; L42-R46 PolarHBondContact O-NH1 3.08Å; L42-A339 HydrophobicContact CB-CB 4.47Å; L42-S346 WeakPolarHBondContact CD1-OG 3.44Å
43R94.9Very high95.1Very high92 Ų9221.6 Ų21.635%0.34711%0.106SC..Hα-helixtrans-65.5-44173.2-171.3-174.4-56.410412.4111A39 D40 Y41 L45 R46 L47A39-R43 WeakPolarHBondContact O-CB 3.36Å; A39-R43 PolarHBondContact O-N 3.12Å; D40-R43 PolarHBondContact O-N 3.04Å; D40-R43 IonicContact OD1-CZ 3.39Å; D40-R43 IonicContact OD1-NH1 2.87Å; D40-R43 PolarHBondContact OD1-NH1 3.08Å; Y41-R43 VanDerWaalsContact C-N 3.28Å; Y41-R43 PolarHBondContact O-N 3.24Å; R43-L45 VanDerWaalsContact C-N 3.31Å; R43-L45 PolarHBondContact O-N 3.44Å; R43-R46 PolarHBondContact O-N 3Å; R43-L47 HydrophobicContact CG-CD1 4Å; R43-L47 HydrophobicContact CG-CG 4.28Å; R43-L47 WeakPolarHBondContact O-CG 3.45Å; R43-L47 PolarHBondContact O-N 3.18Å
44S96.1Very high95Very high2 Ų224.3 Ų24.31%0.01411%0.113CC..Hα-helixtrans-64.6-33.1179.964.60000113.1D40 Y41 R46 L47 T48D40-S44 WeakPolarHBondContact O-CB 3.34Å; D40-S44 PolarHBondContact O-N 3.29Å; D40-S44 PolarHBondContact O-OG 3.44Å; Y41-S44 WeakPolarHBondContact CA-OG 3.39Å; Y41-S44 PolarHBondContact O-N 3.01Å; Y41-S44 PolarHBondContact O-OG 3.18Å; S44-R46 PolarHBondContact O-N 3.3Å; S44-L47 PolarHBondContact O-N 2.97Å; S44-T48 VanDerWaalsContact O-CB 3.31Å; S44-T48 WeakPolarHBondContact O-CB 3.38Å; S44-T48 PolarHBondContact O-N 3.07Å; S44-T48 PolarHBondContact O-OG1 2.88Å
45L95.4Very high94.9Very high0 Ų024.4 Ų24.40%011%0.113CC..Hα-helixtrans-58.5-47.7171-68.1176.8000111.5Y41 L42 R43 T48 A49 F335 A339 M510 W554Y41-L45 HydrophobicContact CD1-CD1 4.28Å; Y41-L45 HydrophobicContact CE1-CD1 3.75Å; Y41-L45 HydrophobicContact CE1-CG 4.28Å; Y41-L45 HydrophobicContact CE2-CD2 4.47Å; Y41-L45 PolarHBondContact O-N 3.32Å; L42-L45 HydrophobicContact CD2-CD1 4.48Å; R43-L45 VanDerWaalsContact C-N 3.31Å; R43-L45 PolarHBondContact O-N 3.44Å; L45-T48 PolarHBondContact O-N 3.26Å; L45-A49 WeakPolarHBondContact O-CB 3.39Å; L45-A49 PolarHBondContact O-N 3.29Å; L45-F335 HydrophobicContact CB-CD1 4.15Å; L45-F335 HydrophobicContact CD2-CD1 3.85Å; L45-F335 HydrophobicContact CD2-CE1 3.78Å; L45-A339 HydrophobicContact CB-CB 4.22Å; L45-A339 HydrophobicContact CD1-CB 4.35Å; L45-M510 HydrophobicContact CD1-SD 4.17Å; L45-W554 HydrophobicContact CD2-CZ2 3.94Å
46R95.7Very high94.9Very high83 Ų8324.4 Ų24.431%0.31311%0.113SC..Hα-helixtrans-64.8-42.1177.9-64.8-178.7179.989.8-1.8112.5L42 R43 S44 A49 A50 A339L42-R46 PolarHBondContact O-N 2.67Å; L42-R46 PolarHBondContact O-NH1 3.08Å; R43-R46 PolarHBondContact O-N 3Å; S44-R46 PolarHBondContact O-N 3.3Å; R46-A49 PolarHBondContact O-N 3.19Å; R46-A50 PolarHBondContact O-N 3.4Å; R46-A339 HydrophobicContact CG-CB 3.83Å; R46-A339 VanDerWaalsContact CZ-CB 3.41Å; R46-A339 VanDerWaalsContact NH2-C 3.32Å; R46-A339 PolarHBondContact NH2-O 3.46Å; R46-A339 VanDerWaalsContact NH2-O 3.12Å
47L95.9Very high94.7Very high94 Ų9430.6 Ų30.649%0.49214%0.142SC..Hα-helixtrans-66.6-42.5178.9-69.7175.4000111.9R43 S44 A49 A50 A51R43-L47 HydrophobicContact CG-CD1 4Å; R43-L47 HydrophobicContact CG-CG 4.28Å; R43-L47 WeakPolarHBondContact O-CG 3.45Å; R43-L47 PolarHBondContact O-N 3.18Å; S44-L47 PolarHBondContact O-N 2.97Å; L47-A49 VanDerWaalsContact C-N 3.34Å; L47-A50 PolarHBondContact O-N 2.9Å; L47-A51 VanDerWaalsContact O-CB 3.27Å; L47-A51 WeakPolarHBondContact O-CB 3.49Å; L47-A51 PolarHBondContact O-N 3.21Å
48T96.6Very high94.2Very high4 Ų431.1 Ų31.13%0.02515%0.147CC..Hα-helixtrans-62.5-42.4175.3-62.80000111S44 L45 A51 L52 A550 V551 W554S44-T48 VanDerWaalsContact O-CB 3.31Å; S44-T48 WeakPolarHBondContact O-CB 3.38Å; S44-T48 PolarHBondContact O-N 3.07Å; S44-T48 PolarHBondContact O-OG1 2.88Å; L45-T48 PolarHBondContact O-N 3.26Å; T48-A51 PolarHBondContact O-N 2.89Å; T48-L52 VanDerWaalsContact O-CB 3.25Å; T48-L52 WeakPolarHBondContact O-CB 3.41Å; T48-L52 PolarHBondContact O-N 3.29Å; T48-A550 PolarHBondContact OG1-O 3.5Å; T48-V551 HydrophobicContact CG2-CG2 3.9Å; T48-W554 HydrophobicContact CG2-CE3 3.92Å; T48-W554 HydrophobicContact CG2-CZ3 4.16Å
49A94.8Very high93.5Very high1 Ų131.3 Ų31.31%0.00815%0.148CC..Hα-helixtrans-59.5-51.917600000111.9L45 R46 L47 A51 L52 S53 E332 F335L45-A49 WeakPolarHBondContact O-CB 3.39Å; L45-A49 PolarHBondContact O-N 3.29Å; R46-A49 PolarHBondContact O-N 3.19Å; L47-A49 VanDerWaalsContact C-N 3.34Å; A49-A51 VanDerWaalsContact C-N 3.34Å; A49-A51 PolarHBondContact O-N 3.42Å; A49-L52 PolarHBondContact O-N 3.38Å; A49-S53 PolarHBondContact O-N 3.49Å; A49-S53 PolarHBondContact O-OG 2.85Å; A49-E332 HydrophobicContact CB-CB 4.21Å; A49-E332 HydrophobicContact CB-CG 3.98Å; A49-F335 HydrophobicContact CB-CB 3.55Å; A49-F335 HydrophobicContact CB-CD2 3.76Å; A49-F335 HydrophobicContact CB-CG 3.87Å
50A95.8Very high92.7Very high23 Ų2334.7 Ų34.719%0.1917%0.169CC..Hα-helixtrans-62.6-39.1178.600000112.7R46 L47 S53 R54R46-A50 PolarHBondContact O-N 3.4Å; L47-A50 PolarHBondContact O-N 2.9Å; A50-S53 PolarHBondContact O-N 3.45Å; A50-R54 WeakPolarHBondContact O-CG 3.4Å; A50-R54 PolarHBondContact O-N 3.35Å
51A96.2Very high91.9Very high3 Ų334.5 Ų34.53%0.02517%0.169CC..Hα-helixtrans-68.1-39.7177.200000111.9L47 T48 A49 S53 R54 F55 L547 A550L47-A51 VanDerWaalsContact O-CB 3.27Å; L47-A51 WeakPolarHBondContact O-CB 3.49Å; L47-A51 PolarHBondContact O-N 3.21Å; T48-A51 PolarHBondContact O-N 2.89Å; A49-A51 VanDerWaalsContact C-N 3.34Å; A49-A51 PolarHBondContact O-N 3.42Å; A51-S53 VanDerWaalsContact C-N 3.34Å; A51-R54 PolarHBondContact O-N 3.27Å; A51-F55 WeakPolarHBondContact O-CB 3.15Å; A51-F55 PolarHBondContact O-N 3.09Å; A51-L547 HydrophobicContact CB-CB 4.43Å; A51-L547 HydrophobicContact CB-CD1 4.29Å; A51-A550 HydrophobicContact CB-CB 3.76Å
52L95.1Very high91.3Very high7 Ų734.5 Ų34.54%0.03717%0.169CC..Hα-helixtrans-63.2-41.9175-169.865.3000110.8T48 A49 F55 A56 V328 I331 L547 L738T48-L52 VanDerWaalsContact O-CB 3.25Å; T48-L52 WeakPolarHBondContact O-CB 3.41Å; T48-L52 PolarHBondContact O-N 3.29Å; A49-L52 PolarHBondContact O-N 3.38Å; L52-F55 WeakPolarHBondContact O-CB 3.23Å; L52-F55 PolarHBondContact O-N 3.46Å; L52-A56 WeakPolarHBondContact O-CB 3.08Å; L52-A56 PolarHBondContact O-N 3.46Å; L52-V328 HydrophobicContact CB-CG1 4.06Å; L52-V328 HydrophobicContact CD2-CG1 3.99Å; L52-V328 HydrophobicContact CD2-CG2 4.24Å; L52-V328 HydrophobicContact CG-CG1 3.62Å; L52-V328 HydrophobicContact CG-CG2 4.05Å; L52-I331 HydrophobicContact CD2-CG2 4.39Å; L52-L547 HydrophobicContact CB-CD1 4.09Å; L52-L547 HydrophobicContact CD1-CD1 4.01Å; L52-L547 HydrophobicContact CD1-CD2 4.09Å; L52-L738 HydrophobicContact CD1-CD2 4.3Å
53S94.2Very high90.7Very high10 Ų1035.3 Ų35.37%0.0718%0.177CC..Hα-helixtrans-63.7-43.9175.9-65.80000112.8A49 A50 A51 F55 A56 Q57 E332A49-S53 PolarHBondContact O-N 3.49Å; A49-S53 PolarHBondContact O-OG 2.85Å; A50-S53 PolarHBondContact O-N 3.45Å; A51-S53 VanDerWaalsContact C-N 3.34Å; S53-F55 VanDerWaalsContact C-N 3.32Å; S53-F55 PolarHBondContact O-N 2.91Å; S53-A56 PolarHBondContact O-N 2.9Å; S53-Q57 VanDerWaalsContact O-CG 3.24Å; S53-Q57 WeakPolarHBondContact O-CG 3.38Å; S53-Q57 PolarHBondContact O-N 2.86Å; S53-E332 VanDerWaalsContact CB-OE2 3.27Å; S53-E332 WeakPolarHBondContact CB-OE2 3.23Å; S53-E332 VanDerWaalsContact OG-CD 3.3Å; S53-E332 PolarHBondContact OG-OE2 2.84Å
54R93.7Very high90.1Very high138 Ų13832 Ų3252%0.52117%0.166SC..Hα-helixtrans-61.9-40.9173.8-72-179.6-166.9124.45.8112.1A50 A51 Q57 G58A50-R54 WeakPolarHBondContact O-CG 3.4Å; A50-R54 PolarHBondContact O-N 3.35Å; A51-R54 PolarHBondContact O-N 3.27Å; R54-Q57 PolarHBondContact O-N 2.68Å; R54-G58 PolarHBondContact O-N 3.14Å
55F93.5Very high89.4Confident8 Ų833.7 Ų33.74%0.03518%0.179CC..Hα-helixtrans-62-48.1175.2174.5-99.3000111.1A51 L52 S53 Q57 G58 H59 T544 L547 I633 T730 I734A51-F55 WeakPolarHBondContact O-CB 3.15Å; A51-F55 PolarHBondContact O-N 3.09Å; L52-F55 WeakPolarHBondContact O-CB 3.23Å; L52-F55 PolarHBondContact O-N 3.46Å; S53-F55 VanDerWaalsContact C-N 3.32Å; S53-F55 PolarHBondContact O-N 2.91Å; F55-Q57 VanDerWaalsContact C-N 3.33Å; F55-Q57 PolarHBondContact O-N 2.86Å; F55-G58 PolarHBondContact O-N 3.06Å; F55-H59 AromaticContact CE2-CD2 3.95Å; F55-H59 AromaticContact CE2-NE2 3.53Å; F55-H59 AromaticContact CZ-CD2 3.89Å; F55-H59 AromaticContact CZ-NE2 3.66Å; F55-H59 PolarHBondContact O-CD2 3.26Å; F55-H59 VanDerWaalsContact O-CD2 3.28Å; F55-T544 WeakPolarHBondContact CD2-OG1 3.39Å; F55-T544 HydrophobicContact CE2-CG2 4.36Å; F55-T544 VanDerWaalsContact CE2-OG1 3.27Å; F55-T544 WeakPolarHBondContact CE2-OG1 3.14Å; F55-L547 HydrophobicContact CB-CD2 3.99Å; F55-L547 HydrophobicContact CD1-CD2 3.88Å; F55-L547 HydrophobicContact CD2-CD2 4.17Å; F55-L547 HydrophobicContact CE1-CD2 4.4Å; F55-L547 HydrophobicContact CG-CD2 3.74Å; F55-I633 HydrophobicContact CZ-CD1 4.37Å; F55-T730 HydrophobicContact CZ-CG2 4.01Å; F55-I734 HydrophobicContact CE1-CD1 3.53Å; F55-I734 HydrophobicContact CE1-CG1 4.07Å; F55-I734 HydrophobicContact CZ-CD1 3.82Å; F55-I734 HydrophobicContact CZ-CG1 4.4Å
56A92.3Very high88.5Confident0 Ų042.8 Ų42.80%022%0.221CC..Hα-helixtrans-62.2-36.9178.700000113.5L52 S53 G58 H59 L324 V328L52-A56 WeakPolarHBondContact O-CB 3.08Å; L52-A56 PolarHBondContact O-N 3.46Å; S53-A56 PolarHBondContact O-N 2.9Å; A56-G58 PolarHBondContact O-N 3.31Å; A56-H59 PolarHBondContact O-N 3.34Å; A56-L324 HydrophobicContact CB-CD2 4.27Å; A56-L324 HydrophobicContact CB-CG 3.96Å; A56-V328 HydrophobicContact CB-CB 3.8Å; A56-V328 HydrophobicContact CB-CG1 4.01Å; A56-V328 HydrophobicContact CB-CG2 3.83Å
57Q88.7Confident87.4Confident135 Ų13547.4 Ų47.463%0.63125%0.245SC*.Hα-helixtrans-63.6-27.4174.5-73.1168.412.500112.9S53 R54 F55 H59S53-Q57 VanDerWaalsContact O-CG 3.24Å; S53-Q57 WeakPolarHBondContact O-CG 3.38Å; S53-Q57 PolarHBondContact O-N 2.86Å; R54-Q57 PolarHBondContact O-N 2.68Å; F55-Q57 VanDerWaalsContact C-N 3.33Å; F55-Q57 PolarHBondContact O-N 2.86Å; Q57-H59 PolarHBondContact O-N 3.2Å
58G84.4Confident86.3Confident14 Ų1444.2 Ų44.214%0.14423%0.23CC..THydrogen-bonded Turntrans-75.4-0.9172.800000114.7R54 F55 A56 P60 H540R54-G58 PolarHBondContact O-N 3.14Å; F55-G58 PolarHBondContact O-N 3.06Å; A56-G58 PolarHBondContact O-N 3.31Å; G58-P60 VanDerWaalsContact C-CD 3.45Å; G58-H540 PolarHBondContact O-CD2 3.28Å; G58-H540 PolarHBondContact O-NE2 3.07Å
59H82Confident85.2Confident5 Ų547.5 Ų47.52%0.02326%0.258CS..  trans-13058.5-178.8-69.3-79.2000112F55 A56 Q57 S61 L62 L324 R727F55-H59 AromaticContact CE2-CD2 3.95Å; F55-H59 AromaticContact CE2-NE2 3.53Å; F55-H59 AromaticContact CZ-CD2 3.89Å; F55-H59 AromaticContact CZ-NE2 3.66Å; F55-H59 PolarHBondContact O-CD2 3.26Å; F55-H59 VanDerWaalsContact O-CD2 3.28Å; A56-H59 PolarHBondContact O-N 3.34Å; Q57-H59 PolarHBondContact O-N 3.2Å; H59-S61 PolarHBondContact O-N 3.05Å; H59-S61 VanDerWaalsContact O-N 3.17Å; H59-L62 HydrophobicContact CB-CD1 3.77Å; H59-L62 HydrophobicContact CB-CG 4.03Å; H59-L62 PolarHBondContact O-N 3.37Å; H59-L324 HydrophobicContact CB-CD2 4.39Å; H59-R727 PolarHBondContact CE1-NH1 3.05Å; H59-R727 PolarHBondContact ND1-NH1 3.41Å
60P75.4Confident84.1Confident84 Ų8449.2 Ų49.255%0.54527%0.269SS..THydrogen-bonded Turntrans-65.3-19.9-176.828.9-35.9000113.4G58 L62G58-P60 VanDerWaalsContact C-CD 3.45Å; P60-L62 VanDerWaalsContact C-N 3.29Å; P60-L62 PolarHBondContact O-N 3.06Å
61S78.6Confident83.1Confident14 Ų1448.8 Ų48.810%0.09826%0.264CS..THydrogen-bonded Turntrans-74.1-15.6179.167.40000114.6H59 A63 D529 N530H59-S61 PolarHBondContact O-N 3.05Å; H59-S61 VanDerWaalsContact O-N 3.17Å; S61-A63 PolarHBondContact O-N 3.21Å; S61-D529 VanDerWaalsContact CB-OD1 3.25Å; S61-D529 WeakPolarHBondContact CB-OD1 3.43Å; S61-D529 PolarHBondContact OG-OD1 2.88Å; S61-N530 PolarHBondContact O-N 2.77Å
62L83.2Confident81.9Confident3 Ų352.6 Ų52.62%0.01628%0.283CS..EExtended strand (participates in β ladder)trans-80.998.6-178.6-63.4-174.6000110.1H59 P60 T323 L324 L527 D529 L731 I734H59-L62 HydrophobicContact CB-CD1 3.77Å; H59-L62 HydrophobicContact CB-CG 4.03Å; H59-L62 PolarHBondContact O-N 3.37Å; P60-L62 VanDerWaalsContact C-N 3.29Å; P60-L62 PolarHBondContact O-N 3.06Å; L62-T323 WeakPolarHBondContact O-CA 3.44Å; L62-L324 HydrophobicContact CB-CB 4Å; L62-L324 HydrophobicContact CD1-CD2 3.7Å; L62-L324 PolarHBondContact O-N 2.61Å; L62-L527 HydrophobicContact CB-CD2 4.37Å; L62-D529 HydrophobicContact CD2-CB 3.77Å; L62-L731 HydrophobicContact CD2-CD1 4.08Å; L62-I734 HydrophobicContact CD1-CD1 4.23Å
63A83.2Confident80.8Confident22 Ų2252.6 Ų52.618%0.18228%0.283CS..EExtended strand (participates in β ladder)trans-104.5148.3179.400000111S61 R322 L527 V528 N530S61-A63 PolarHBondContact O-N 3.21Å; A63-R322 WeakPolarHBondContact CA-O 3.45Å; A63-L527 CarbonylContact O-C 3.59Å; A63-L527 WeakPolarHBondContact O-CA 3.35Å; A63-V528 PolarHBondContact N-O 3Å; A63-V528 PolarHBondContact O-N 3.43Å; A63-N530 VanDerWaalsContact CB-ND2 3.35Å; A63-N530 WeakPolarHBondContact CB-ND2 3.47Å
64V82.3Confident79Confident21 Ų2154.4 Ų54.413%0.12729%0.294CS..EExtended strand (participates in β ladder)trans-81.3126.9174.6-176.20000108.6T68 H321 R322 I327 L527V64-T68 HydrophobicContact CG1-CG2 3.95Å; V64-H321 WeakPolarHBondContact CB-O 3.49Å; V64-H321 WeakPolarHBondContact CG2-O 3.32Å; V64-R322 PolarHBondContact N-O 3.36Å; V64-I327 HydrophobicContact CG2-CD1 3.56Å; V64-I327 HydrophobicContact CG2-CG1 4.32Å; V64-L527 HydrophobicContact CG2-CD2 3.72Å
65S81.4Confident76.8Confident39 Ų3951.8 Ų51.827%0.27329%0.293SS..  trans-58.7140176.7177.40000111.6H67 T68 G526S65-H67 PolarHBondContact O-N 2.97Å; S65-H67 PolarHBondContact OG-N 3.13Å; S65-T68 VanDerWaalsContact O-CB 3.31Å; S65-T68 WeakPolarHBondContact O-CB 3.1Å; S65-T68 PolarHBondContact O-N 2.8Å; S65-T68 PolarHBondContact O-OG1 3.43Å; S65-T68 VanDerWaalsContact O-OG1 3.05Å; S65-G526 WeakPolarHBondContact CB-O 3.43Å; S65-G526 PolarHBondContact N-O 3.45Å
66H76.1Confident74.3Confident190 Ų19054.9 Ų54.988%0.8832%0.32SS*.THydrogen-bonded Turntrans-59.3-19.7176.1-68.1-64.4000113.7T68H66-T68 VanDerWaalsContact C-N 3.33Å
67H71.8Confident71.3Confident180 Ų18058.7 Ų58.783%0.83335%0.352SS*.THydrogen-bonded Turntrans-82.6-8.4177.1-57.6-59.4000113.7S65 A69S65-H67 PolarHBondContact O-N 2.97Å; S65-H67 PolarHBondContact OG-N 3.13Å; H67-A69 PolarHBondContact O-N 3.15Å
68T72.5Confident68.8Low28 Ų2857.6 Ų57.617%0.17236%0.357CS..SBendtrans-69.4131.3178.6-53.10000110.3V64 S65 H66 G526V64-T68 HydrophobicContact CG1-CG2 3.95Å; S65-T68 VanDerWaalsContact O-CB 3.31Å; S65-T68 WeakPolarHBondContact O-CB 3.1Å; S65-T68 PolarHBondContact O-N 2.8Å; S65-T68 PolarHBondContact O-OG1 3.43Å; S65-T68 VanDerWaalsContact O-OG1 3.05Å; H66-T68 VanDerWaalsContact C-N 3.33Å; T68-G526 WeakPolarHBondContact OG1-CA 3.38Å
69A74.6Confident66.4Low73 Ų7361.7 Ų61.760%0.60339%0.389SS*.PPolyproline II helixtrans-58.7135178.600000110H67H67-A69 PolarHBondContact O-N 3.15Å
70P72.1Confident64.2Low37 Ų3769.2 Ų69.224%0.2443%0.428CS..PPolyproline II helixtrans-64.6154.1172.129.6-33.8000110.1V318 R320P70-V318 HydrophobicContact CB-CG1 3.4Å; P70-V318 VanDerWaalsContact CB-CG1 3.4Å; P70-V318 HydrophobicContact CG-CG1 3.76Å; P70-R320 HydrophobicContact CB-CG 3.59Å
71V73.6Confident62.4Low13 Ų1369.1 Ų69.18%0.07944%0.435CS..EExtended strand (participates in β ladder)trans-86.5130.9172.5171.70000109.1L73 I319 E519 Q523V71-L73 HydrophobicContact CG1-CD2 3.46Å; V71-L73 VanDerWaalsContact CG1-CD2 3.46Å; V71-L73 HydrophobicContact CG1-CG 4Å; V71-I319 PolarHBondContact N-O 2.76Å; V71-I319 PolarHBondContact O-N 3.33Å; V71-E519 HydrophobicContact CG1-CB 3.81Å; V71-E519 WeakPolarHBondContact CG2-O 3.24Å; V71-Q523 HydrophobicContact CG2-CG 3.51Å
72L72.4Confident60.5Low84 Ų8474.3 Ų74.344%0.4447%0.468SS..EExtended strand (participates in β ladder)trans-99.389.4177-60.6-177.4000108.3T74 V318L72-T74 PolarHBondContact O-N 3.4Å; L72-V318 HydrophobicContact CD2-CB 4.27Å; L72-V318 HydrophobicContact CD2-CG1 4.24Å; L72-V318 HydrophobicContact CD2-CG2 3.65Å
73L71.6Confident58.5Low6 Ų679.8 Ų79.83%0.03150%0.502CS..EExtended strand (participates in β ladder)trans-76.1122.6175.2-63.5-168.1000109V71 T75 R316 M317 I319 I516 E519 I520V71-L73 HydrophobicContact CG1-CD2 3.46Å; V71-L73 VanDerWaalsContact CG1-CD2 3.46Å; V71-L73 HydrophobicContact CG1-CG 4Å; L73-T75 PolarHBondContact O-N 2.93Å; L73-R316 WeakPolarHBondContact O-CA 3.44Å; L73-M317 PolarHBondContact N-O 3Å; L73-M317 PolarHBondContact O-N 2.94Å; L73-I319 HydrophobicContact CB-CD1 4.41Å; L73-I319 HydrophobicContact CD1-CD1 3.41Å; L73-I319 VanDerWaalsContact CD1-CD1 3.41Å; L73-I319 HydrophobicContact CG-CD1 3.9Å; L73-I516 HydrophobicContact CD1-CG2 3.94Å; L73-I516 HydrophobicContact CD2-CG2 3.78Å; L73-E519 HydrophobicContact CD2-CB 4.25Å; L73-E519 WeakPolarHBondContact CD2-OE2 3.48Å; L73-I520 HydrophobicContact CD1-CD1 4.37Å; L73-I520 HydrophobicContact CD2-CG1 4.28Å
74T55.5Low56.8Low48 Ų4884.6 Ų84.629%0.29453%0.531SS..EExtended strand (participates in β ladder)trans-82.8101.6168.8-51.10000107.3L72 A76 E314L72-T74 PolarHBondContact O-N 3.4Å; T74-A76 VanDerWaalsContact C-N 3.32Å; T74-A76 PolarHBondContact O-N 3.49Å; T74-E314 HydrophobicContact CG2-CB 4.42Å; T74-E314 HydrophobicContact CG2-CG 4.3Å
75T47.6Very low55.2Low83 Ų8389.6 Ų89.651%0.50956%0.562SS.*  trans-73.893.9169.356.90000107.4L73 A77 M315L73-T75 PolarHBondContact O-N 2.93Å; T75-A77 VanDerWaalsContact C-N 3.33Å; T75-A77 PolarHBondContact O-N 3.2Å; T75-M315 PolarHBondContact OG1-O 2.6Å
76A40.5Very low53.7Low73 Ų7393 Ų9360%0.60358%0.583SS**  trans-64.6102.616000000106.1T74T74-A76 VanDerWaalsContact C-N 3.32Å; T74-A76 PolarHBondContact O-N 3.49Å
77A30.4Very low53.2Low80 Ų8089.6 Ų89.666%0.66158%0.578SS**  trans-52.7130.6167.400000106.8T75 A79T75-A77 VanDerWaalsContact C-N 3.33Å; T75-A77 PolarHBondContact O-N 3.2Å; A77-A79 PolarHBondContact O-N 2.72Å
78P35.5Very low52.2Low113 Ų11386 Ų8673%0.73457%0.57SS**  trans-57.8118.6176.224.4-29.9000105.7L80P78-L80 PolarHBondContact O-N 2.98Å
79A33.4Very low50.8Low99 Ų9990.7 Ų90.782%0.81860%0.601SS**  trans-58.998.416900000105.6A77 A81A77-A79 PolarHBondContact O-N 2.72Å; A79-A81 VanDerWaalsContact C-N 3.32Å; A79-A81 PolarHBondContact O-N 3.36Å
80L36.1Very low49.6Very low164 Ų16492.9 Ų92.986%0.85961%0.612SS**  trans-53.6105.6165.8-81.7157.1000104.8P78P78-L80 PolarHBondContact O-N 2.98Å
81A38Very low48Very low82 Ų8296 Ų9668%0.67864%0.635SS**  trans-49.6132.6167.400000106.7A79 T83A79-A81 VanDerWaalsContact C-N 3.32Å; A79-A81 PolarHBondContact O-N 3.36Å; A81-T83 PolarHBondContact O-N 3.08Å
82P38.9Very low46.5Very low122 Ų122102 Ų10279%0.79267%0.672SS**  trans-60.3114.8-177.124.4-31000107.3
83T42.1Very low45.1Very low119 Ų119102.3 Ų102.373%0.7369%0.686SS**PPolyproline II helixtrans-52.9127.1166430000107.2A81 T85A81-T83 PolarHBondContact O-N 3.08Å; T83-T85 PolarHBondContact O-N 3.36Å
84P46.3Very low43.5Very low123 Ų123107.5 Ų107.580%0.79972%0.723SS**PPolyproline II helixtrans-59.7116.8174.624.3-30.6000107.4
85T48.7Very low43Very low125 Ų125110.9 Ų110.977%0.76775%0.749SS**PPolyproline II helixtrans-58.1131.8172.6340000108.4T83T83-T85 PolarHBondContact O-N 3.36Å
86P49.7Very low42.9Very low112 Ų112112 Ų11273%0.72776%0.76SS**PPolyproline II helixtrans-63.6138.8174.427-31.7000108.5
87P65Low43.2Very low118 Ų118116.8 Ų116.877%0.76677%0.774SS**PPolyproline II helixtrans-60.8141.9175.625.4-32.3000109.8
88P51.9Low44.5Very low104 Ų104118.4 Ų118.468%0.67578%0.778SS**PPolyproline II helixtrans-65.8149.5-178.628.1-33.9000110.8S90P88-S90 PolarHBondContact O-N 3.48Å; P88-S90 VanDerWaalsContact O-N 3.09Å
89P42.2Very low45.3Very low126 Ų126118.4 Ų118.482%0.81878%0.779SS**  trans-72.7108.3-178.129.9-31.4000109.4S91P89-S91 PolarHBondContact O-N 2.93Å; P89-S91 VanDerWaalsContact O-N 3.17Å
90S49.6Very low45.8Very low119 Ų119119.5 Ų119.583%0.83278%0.777SS**  trans-8094.5169.1-52.30000109.5P88P88-S90 PolarHBondContact O-N 3.48Å; P88-S90 VanDerWaalsContact O-N 3.09Å
91S38.1Very low46.7Very low103 Ų103118.2 Ų118.272%0.7278%0.776SS**  trans-63118.3161.341.10000111P89P89-S91 PolarHBondContact O-N 2.93Å; P89-S91 VanDerWaalsContact O-N 3.17Å
92T42.3Very low46.8Very low139 Ų139120 Ų12085%0.85378%0.781SS**  trans-178.7127.8131.514.10000114.2
93A43.7Very low46.9Very low90 Ų90121.6 Ų121.674%0.74478%0.782SS**  trans70.391.8138.500000121
94S38.6Very low46.9Very low115 Ų115123 Ų12380%0.80479%0.785SS**  22.6139.3123-49.60000122.3
95S44.4Very low46.7Very low119 Ų119122 Ų12283%0.83278%0.777SS**  trans89.4127.4165.3-52.50000114
96S46.1Very low46.2Very low107 Ų107125 Ų12575%0.74878%0.78SS**  cis-171.3135.712.440.80000107.5
97L46.4Very low46Very low173 Ų173127.5 Ų127.591%0.90678%0.782SS**  trans-64.9150.8167.2-75156.1000111
98P57.7Low44.9Very low114 Ų114131.5 Ų131.574%0.7479%0.79SS**  -139.6174.1126.643.9-30.2000111.8
99P51.7Low44.5Very low114 Ų114135.1 Ų135.174%0.7480%0.798SS**  -116.8-178.4-115.311.217000113.5
100P45Very low45Very low122 Ų122133.4 Ų133.479%0.79280%0.795SS**  trans-86.1145.1-170.834.8-32.2000112.9
101T54.1Low45.6Very low137 Ų137133.5 Ų133.584%0.8479%0.792SS**  trans-156.3160.3171.914.70000112.1
102P40.5Very low46.9Very low120 Ų120134 Ų13478%0.77979%0.793SS**  -127.4178.5-120.723.52.5000115.9
103L40.4Very low48.2Very low154 Ų154133.1 Ų133.181%0.80679%0.79SS**  trans-19.2136171.6-63.4170.6000122.2
104L42.8Very low49.5Very low150 Ų150134.4 Ų134.479%0.78579%0.791SS**  trans71.1164.5141.7-9390.4000120.3
105P41.7Very low50.6Low100 Ų100134.1 Ų134.165%0.64979%0.786SS**  cis-143177.4-28.134.9-15.2000116.8
106K39.2Very low51.2Low190 Ų190134.4 Ų134.483%0.82679%0.785SS**  trans89.6125.8146-93177.7179179.60121.1
107H44.7Very low51.2Low163 Ų163135.8 Ų135.876%0.75579%0.789SS**  trans69.5102.6148.4-92.711.6000118.6
108Q41.6Very low51Low203 Ų203135.8 Ų135.895%0.94978%0.784SS**  trans-149.2120.3130.3-106.9164.440.500110
109Q44.6Very low50.4Low180 Ų180135.7 Ų135.784%0.84179%0.787SS**PPolyproline II helixtrans-84.8121.8-171.4-161.6170.17.400107.9
110A51.3Low50.3Low90 Ų90138.3 Ų138.374%0.74479%0.788SS**PPolyproline II helixtrans-68.2139.7175.300000110.3
111P62.2Low50.5Low120 Ų120141.2 Ų141.278%0.77979%0.791SS**PPolyproline II helixtrans-73.2146.5-175.929.7-33000111.5
112P66.2Low51.1Low114 Ų114139.8 Ų139.874%0.7478%0.784SS**PPolyproline II helixtrans-74.2155.6177.431.6-33.6000111.7
113P68.9Low52.1Low120 Ų120139.8 Ų139.878%0.77978%0.784SS**PPolyproline II helixtrans-67149.6178.928.5-33.7000111.6
114P71.6Confident53.1Low118 Ų118137.8 Ų137.877%0.76678%0.781SS**PPolyproline II helixtrans-66.9149-176.927.5-33.8000112.2
115P62.4Low54.2Low108 Ų108137 Ų13770%0.70179%0.785SS**PPolyproline II helixtrans-70.4154179.930.3-34000111.3T117P115-T117 PolarHBondContact O-N 3.49Å
116P55.3Low54.8Low125 Ų125138.8 Ų138.881%0.81279%0.794SS**PPolyproline II helixtrans-68.5120.1-178.727.4-32000110.5Q118P116-Q118 PolarHBondContact O-N 3.25Å
117T47.7Very low54.8Low136 Ų136133.9 Ų133.983%0.83479%0.788SS**PPolyproline II helixtrans-63.8122.1173.1-27.50000109.5P115 S119P115-T117 PolarHBondContact O-N 3.49Å; T117-S119 PolarHBondContact O-N 3.41Å
118Q41.1Very low54.9Low173 Ų173133 Ų13381%0.80879%0.794SS**  trans-61.7105.7172.7-67.3173.715.800109.1P116P116-Q118 PolarHBondContact O-N 3.25Å
119S45.7Very low54.8Low113 Ų113135 Ų13579%0.7979%0.793SS**  trans-95.2113.4164.9-178.30000108T117 Q121T117-S119 PolarHBondContact O-N 3.41Å; S119-Q121 PolarHBondContact O-N 3.48Å
120H50.1Low55Low168 Ų168130.5 Ų130.578%0.77879%0.787SS**  trans-61.4113.2173.7-74.1-82.3000110.2
121Q49.4Very low54.5Low183 Ų183132.2 Ų132.286%0.85579%0.79SS**PPolyproline II helixtrans-76.2130.1172-163.1175.39.100109.5S119S119-Q121 PolarHBondContact O-N 3.48Å
122P65Low53.3Low107 Ų107138.9 Ų138.970%0.69580%0.8SS**PPolyproline II helixtrans-72.6152.8172.429.3-31.2000110.8
123P63.1Low52Low120 Ų120136.9 Ų136.978%0.77980%0.8SS**PPolyproline II helixtrans-72.9153.5-171.730.4-34.6000112.3
124P61.4Low50.5Low113 Ų113135 Ų13573%0.73480%0.802SS**PPolyproline II helixtrans-73.3142.1176.331.3-32.7000110.5
125P65.9Low49.5Very low133 Ų133135.5 Ų135.586%0.86481%0.805SS**PPolyproline II helixtrans-71133.8174.627.4-30.7000111.2
126V53.3Low48.5Very low138 Ų138140.7 Ų140.784%0.83681%0.811SS**PPolyproline II helixtrans-75141.9-179.8171.60000111.7
127A39.9Very low47.6Very low86 Ų86142.2 Ų142.271%0.71180%0.801SS**  trans-16.5133.1170.900000119.5
128V45.9Very low47.4Very low144 Ų144144.8 Ų144.887%0.87381%0.808SS**  trans-128.5119.6144.2-179.60000109.7
129R40.5Very low47.2Very low245 Ų245143.1 Ų143.193%0.92580%0.798SS**  trans-81.4123.3177178.2-178.8174.1-174.2-1.5108.8
130A48.3Very low47Very low87 Ų87143.2 Ų143.272%0.71979%0.794SS**  trans-156.9156.7171.100000109.8
131P40Very low46.6Very low126 Ų126140.2 Ų140.282%0.81879%0.789SS**  -107.4165.7-116.210.111.6000114.5G133P131-G133 PolarHBondContact O-N 2.99Å
132R36.6Very low45.9Very low259 Ų259139.4 Ų139.498%0.97779%0.785SS**  trans-47120.5162.8-70.6176.1170.5-169.4-4110.8
133G39.6Very low44.9Very low72 Ų72141.5 Ų141.574%0.74279%0.789SS**  trans-160.6100.1170.400000109.8P131P131-G133 PolarHBondContact O-N 2.99Å
134G37.9Very low43.5Very low80 Ų80143.1 Ų143.183%0.82579%0.79SS**  trans-80.9154.2168.700000111
135P51.3Low42.3Very low129 Ų129142.7 Ų142.784%0.83879%0.79SS**  trans-108.9123153.627.1-12.7000110.1
136R39.7Very low40.7Very low217 Ų217144 Ų14482%0.81979%0.79SS**  trans-64146.8161.5-82.9175.8158.8-160.2-3.8110.5
137R36.9Very low40.2Very low158 Ų158143.1 Ų143.160%0.59679%0.79SS**  trans68.3109.1146.5-67.6175-173.6-736.5117.7
138L43.2Very low40.2Very low189 Ų189144.3 Ų144.399%0.9979%0.793SS**  -121.8141.2119.7-77.4172000109.2
139K36.8Very low39.5Very low138 Ų138143.5 Ų143.560%0.679%0.788SS**  trans-111.3132.3-158.9-120.4147.6157.1175.10107.9
140V41.5Very low39.3Very low115 Ų115136.7 Ų136.770%0.69778%0.784SS**  38.6136.5127.1-150.20000115.2
141P43.8Very low38.9Very low105 Ų105137.1 Ų137.168%0.68278%0.782SS**  -152.5154.551.140.4-17.8000121.4
142H32.8Very low38.9Very low167 Ų167137.3 Ų137.377%0.77378%0.783SS**  trans-31130.1145.3-79.1-95.3000112.3
143I45.1Very low39.1Very low151 Ų151130 Ų13077%0.77478%0.778SS**  trans-127.6104154.6-54.2178.9000106.6
144L33.4Very low38.8Very low153 Ų153138.7 Ų138.780%0.80179%0.788SS**  trans-64.5137.9156.5-65.2163.6000108.4
145S36.7Very low39Very low105 Ų105140.2 Ų140.273%0.73479%0.787SS**  trans-175.796.6154.5-77.80000105.9
146D32.7Very low38.5Very low161 Ų161139.2 Ų139.286%0.86178%0.783SS**  42.598.784-85.1-21.3000113.9
147S42.6Very low38.3Very low119 Ų119138.4 Ų138.483%0.83279%0.785SS**  trans179.1100.8141.517.50000108.3
148S38.9Very low38.6Very low110 Ų110142.7 Ų142.777%0.76980%0.802SS**  93.910278.3-170.50000112.3
149V32.3Very low38.3Very low127 Ų127143 Ų14377%0.7780%0.795SS**  trans-2115.3144.9-167.40000114.9
150A36.2Very low38.4Very low102 Ų102141.9 Ų141.984%0.84380%0.801SS**  trans-10299.5163.600000109.3
151S40.1Very low38.3Very low97 Ų97142.3 Ų142.368%0.67880%0.804SS**PPolyproline II helixtrans-66.5149167-56.50000111.3A153S151-A153 PolarHBondContact O-N 3.32Å
152P39.9Very low38.1Very low130 Ų130144.3 Ų144.384%0.84481%0.814SS**PPolyproline II helixtrans-77.9122.8167.231.2-28.2000109.3
153A39.3Very low38.5Very low105 Ų105139.4 Ų139.487%0.86881%0.809SS**PPolyproline II helixtrans-76.2136.7176.700000111.5S151S151-A153 PolarHBondContact O-N 3.32Å
154R33.6Very low38.4Very low254 Ų254138.9 Ų138.996%0.95881%0.813SS**PPolyproline II helixtrans-93117.9178.7-171.8179.1173.7-165.5-1.1108.2
155S41.9Very low38.6Very low113 Ų113137.7 Ų137.779%0.7981%0.814SS**  trans-148.9108.5159.374.10000108.7
156S40.7Very low38.7Very low108 Ų108138.6 Ų138.676%0.75582%0.821SS**  84.295.286.2-148.70000113.2
157F37.1Very low38.7Very low200 Ų200136.7 Ų136.788%0.87782%0.82SS**  trans29.1114.9142-80.7-94.8000119.3
158R41.9Very low38.2Very low248 Ų248136.2 Ų136.294%0.93682%0.816SS**  -171.9123124.7-99.8160-171.9-115.73.4111.4
159K37.2Very low38Very low196 Ų196135.9 Ų135.985%0.85281%0.814SS**  trans-67.8161.3161.3-84.4-177.4179.3-179.10109.3
160P38Very low38.2Very low113 Ų113134.5 Ų134.573%0.73482%0.816SS**  -160.9179.853.342.7-18.6000120.5
161V40.1Very low38.6Very low124 Ų124140 Ų14075%0.75282%0.815SS**  trans73.797.1155.6-164.40000118.5
162V39.9Very low38.7Very low147 Ų147139.8 Ų139.889%0.89181%0.806SS**  67.2114.296.5-179.40000115.5
163G40.4Very low39.1Very low64 Ų64144.5 Ų144.566%0.6681%0.808SS**  trans171.777.6167.200000114.4
164T43.9Very low39.7Very low140 Ų140147.6 Ų147.686%0.85980%0.804SS**  trans44.8143.6151.848.60000123.5
165P38Very low40.5Very low129 Ų129141 Ų14184%0.83879%0.788SS**  trans-102.2150.9-155.237.9-28.2000114.9
166S37.4Very low40.5Very low124 Ų124144.1 Ų144.187%0.86779%0.788SS**  trans-124.6138.6164.6-166.50000110.1
167S32.9Very low40.8Very low120 Ų120149.1 Ų149.184%0.83979%0.791SS**  trans-65.9126.6-164.2-171.10000114.5
168S32Very low41.3Very low109 Ų109144.7 Ų144.776%0.76278%0.783SS**  trans-178.2131147.9-1760000110.5
169S35.6Very low41.8Very low103 Ų103138.8 Ų138.872%0.7278%0.776SS**  trans62.495159.7167.20000117.5
170A35.8Very low42.8Very low99 Ų99134.6 Ų134.682%0.81877%0.772SS**  trans-137.9104.415700000110D172A170-D172 PolarHBondContact O-N 2.92Å
171W46Very low44.1Very low217 Ų217134.6 Ų134.682%0.82277%0.772SS**  trans-62.7114.7160.2-66.187.6000107.5W173W171-W173 PolarHBondContact O-N 3.03Å
172D41.4Very low45.6Very low92 Ų92131.9 Ų131.949%0.49276%0.757SS.*  trans-78.296.8177179.611.7000109.8A170 E174 N175A170-D172 PolarHBondContact O-N 2.92Å; D172-E174 PolarHBondContact O-N 3.23Å; D172-E174 WeakPolarHBondContact OD1-CB 3.23Å; D172-E174 PolarHBondContact OD1-N 3.24Å; D172-N175 PolarHBondContact OD2-ND2 3.02Å
173W48.2Very low47.5Very low229 Ų229129 Ų12987%0.86774%0.736SS**THydrogen-bonded Turntrans-75.7-2.5175.7-7096.7000113.3W171W171-W173 PolarHBondContact O-N 3.03Å
174E51.5Low49.3Very low170 Ų170130.1 Ų130.179%0.79473%0.734SS**THydrogen-bonded Turntrans-88.1-4.5-172.7-67.7-179.7148.500113.7D172D172-E174 PolarHBondContact O-N 3.23Å; D172-E174 WeakPolarHBondContact OD1-CB 3.23Å; D172-E174 PolarHBondContact OD1-N 3.24Å
175N49.9Very low51.1Low116 Ų116129.8 Ų129.862%0.6272%0.723SS**SBendtrans-120.62.9-171.6-78.3-49.7000117.3D172D172-N175 PolarHBondContact OD2-ND2 3.02Å
176F43.1Very low53.3Low179 Ų179128.1 Ų128.179%0.78570%0.703SS**  trans-137.591.9176.5-83.1-90.5000112.2
177Y47.6Very low55.4Low213 Ų213127.9 Ų127.984%0.83569%0.686SS**PPolyproline II helixtrans-72127162.3-84.3-92.7000109
178P46.8Very low57.9Low107 Ų107127 Ų12770%0.69567%0.672SS**PPolyproline II helixtrans-58.3142.4169.325.1-32000109.1S180P178-S180 PolarHBondContact O-N 3.3Å
179P52.6Low60.4Low123 Ų123130.7 Ų130.780%0.79967%0.669SS**PPolyproline II helixtrans-55.8139.9176.723.6-32000109.5
180S57.1Low62.6Low109 Ų109133.7 Ų133.776%0.76267%0.665SS**PPolyproline II helixtrans-51.9136.9175.3-56.80000109.6P178P178-S180 PolarHBondContact O-N 3.3Å
181P65.1Low64.9Low113 Ų113135.2 Ų135.273%0.73465%0.653SS**PPolyproline II helixtrans-54.3145.617720.6-30.1000109.9
182P72.8Confident66.9Low67 Ų67127.2 Ų127.244%0.43563%0.633SS.*PPolyproline II helixtrans-52.8143.7175.4-20.430.1000110.6F186 F187P182-F186 HydrophobicContact CB-CB 3.52Å; P182-F186 HydrophobicContact CB-CD1 3.53Å; P182-F186 HydrophobicContact CB-CD2 4.39Å; P182-F186 HydrophobicContact CB-CE1 4.34Å; P182-F186 HydrophobicContact CB-CG 3.55Å; P182-F186 HydrophobicContact CG-CD1 3.83Å; P182-F186 HydrophobicContact CG-CE1 4.16Å; P182-F186 HydrophobicContact CG-CG 4.19Å; P182-F187 HydrophobicContact CB-CE2 4.35Å
183D80Confident69Low86 Ų86127.5 Ų127.546%0.4664%0.635SS.*PPolyproline II helixtrans-62.3166.8171.94529.1000111.8E185 F186D183-E185 HydrophobicContact CB-CG 3.98Å; D183-E185 PolarHBondContact O-N 3.48Å; D183-E185 WeakPolarHBondContact OD1-CG 3.39Å; D183-F186 WeakPolarHBondContact O-CB 2.9Å; D183-F186 PolarHBondContact O-N 2.88Å; D183-F186 VanDerWaalsContact O-N 3.14Å; D183-F186 PolarHBondContact OD1-N 3.28Å
184S77.6Confident70.8Confident88 Ų88122 Ų12262%0.61562%0.622SS**Hα-helixtrans-58.8-30.3-178.651.40000112.7F186 F187 D188S184-F186 VanDerWaalsContact C-N 3.3Å; S184-F186 PolarHBondContact O-N 2.89Å; S184-F187 PolarHBondContact O-N 3.09Å; S184-F187 VanDerWaalsContact O-N 3.08Å; S184-D188 PolarHBondContact O-N 3.38Å
185E82.8Confident72.5Confident133 Ų133118.6 Ų118.662%0.62161%0.606SS**Hα-helixtrans-64.6-29.3178.551.5-167.713100113.2D183 R189D183-E185 HydrophobicContact CB-CG 3.98Å; D183-E185 PolarHBondContact O-N 3.48Å; D183-E185 WeakPolarHBondContact OD1-CG 3.39Å; E185-R189 VanDerWaalsContact O-CB 3.3Å; E185-R189 WeakPolarHBondContact O-CB 3.46Å; E185-R189 PolarHBondContact O-N 3.48Å
186F83.7Confident74.3Confident93 Ų93119.3 Ų119.341%0.40861%0.605SS.*Hα-helixtrans-64-43.4169.2174.3-97000112.5P182 D183 S184 R190P182-F186 HydrophobicContact CB-CB 3.52Å; P182-F186 HydrophobicContact CB-CD1 3.53Å; P182-F186 HydrophobicContact CB-CD2 4.39Å; P182-F186 HydrophobicContact CB-CE1 4.34Å; P182-F186 HydrophobicContact CB-CG 3.55Å; P182-F186 HydrophobicContact CG-CD1 3.83Å; P182-F186 HydrophobicContact CG-CE1 4.16Å; P182-F186 HydrophobicContact CG-CG 4.19Å; D183-F186 WeakPolarHBondContact O-CB 2.9Å; D183-F186 PolarHBondContact O-N 2.88Å; D183-F186 VanDerWaalsContact O-N 3.14Å; D183-F186 PolarHBondContact OD1-N 3.28Å; S184-F186 VanDerWaalsContact C-N 3.3Å; S184-F186 PolarHBondContact O-N 2.89Å; F186-R190 WeakPolarHBondContact O-CB 3.46Å; F186-R190 PolarHBondContact O-N 3.37Å
187F80.5Confident76.2Confident119 Ų119113.2 Ų113.252%0.52259%0.588SS.*Hα-helixtrans-72.1-37.8179.7-68.8-78.3000111.8P182 S184 R190 K191P182-F187 HydrophobicContact CB-CE2 4.35Å; S184-F187 PolarHBondContact O-N 3.09Å; S184-F187 VanDerWaalsContact O-N 3.08Å; F187-R190 PolarHBondContact O-N 3.23Å; F187-K191 VanDerWaalsContact O-CB 3.31Å; F187-K191 WeakPolarHBondContact O-CB 3.07Å; F187-K191 PolarHBondContact O-N 2.97Å
188D85.2Confident78Confident103 Ų103107.3 Ų107.355%0.55157%0.571SS**Hα-helixtrans-63.6-43.6175.3-69.2-31.6000111.2S184 K191 A192S184-D188 PolarHBondContact O-N 3.38Å; D188-K191 PolarHBondContact O-N 3.15Å; D188-A192 PolarHBondContact O-N 2.96Å
189R84.6Confident79.9Confident186 Ų186110.5 Ų110.570%0.70257%0.569SS**Hα-helixtrans-66-41.7176.5-167.4165.1-171.5157.13.7112.4E185 K191 A192 D193E185-R189 VanDerWaalsContact O-CB 3.3Å; E185-R189 WeakPolarHBondContact O-CB 3.46Å; E185-R189 PolarHBondContact O-N 3.48Å; R189-K191 VanDerWaalsContact C-N 3.31Å; R189-K191 PolarHBondContact O-N 3.2Å; R189-A192 PolarHBondContact O-N 3.46Å; R189-D193 VanDerWaalsContact O-CG 3.29Å; R189-D193 PolarHBondContact O-N 2.94Å
190R81.5Confident81.5Confident165 Ų165109.8 Ų109.862%0.62356%0.558SS**Hα-helixtrans-65.1-35175.8-172.3174-177.7125.8-0.2112.2F186 F187 L194F186-R190 WeakPolarHBondContact O-CB 3.46Å; F186-R190 PolarHBondContact O-N 3.37Å; F187-R190 PolarHBondContact O-N 3.23Å; R190-L194 WeakPolarHBondContact O-CB 3.46Å; R190-L194 PolarHBondContact O-N 3.05Å; R190-L194 VanDerWaalsContact O-N 3.12Å
191K84.5Confident82.9Confident131 Ų131112.1 Ų112.157%0.5755%0.55SS**Hα-helixtrans-66.4-44.4173.7-174-178.9175-171.90110.9F187 D188 R189 L194 E195F187-K191 VanDerWaalsContact O-CB 3.31Å; F187-K191 WeakPolarHBondContact O-CB 3.07Å; F187-K191 PolarHBondContact O-N 2.97Å; D188-K191 PolarHBondContact O-N 3.15Å; R189-K191 VanDerWaalsContact C-N 3.31Å; R189-K191 PolarHBondContact O-N 3.2Å; K191-L194 PolarHBondContact O-N 3.26Å; K191-E195 VanDerWaalsContact CE-OE1 3.25Å; K191-E195 WeakPolarHBondContact CE-OE1 3.37Å; K191-E195 WeakPolarHBondContact O-CG 3.38Å; K191-E195 PolarHBondContact O-N 3.5Å
192A87.6Confident83.8Confident49 Ų49112.6 Ų112.641%0.40554%0.543SS..Hα-helixtrans-62.1-45.1175.700000112.3D188 R189 L194 E195 E196D188-A192 PolarHBondContact O-N 2.96Å; R189-A192 PolarHBondContact O-N 3.46Å; A192-L194 VanDerWaalsContact C-N 3.28Å; A192-L194 PolarHBondContact O-N 2.88Å; A192-E195 PolarHBondContact O-N 2.98Å; A192-E196 PolarHBondContact O-N 3.03Å
193D86.9Confident84.3Confident99 Ų99114.4 Ų114.453%0.52955%0.548SS..Hα-helixtrans-61.8-36.4177.6-69.7-14.2000111.7R189 A197R189-D193 VanDerWaalsContact O-CG 3.29Å; R189-D193 PolarHBondContact O-N 2.94Å; D193-A197 WeakPolarHBondContact O-CB 3.47Å; D193-A197 PolarHBondContact O-N 3.2Å
194L85.7Confident84.4Confident114 Ų114116.1 Ų116.160%0.59755%0.554SS**Hα-helixtrans-72.8-39.4177.1-163.775.6000112.2R190 K191 A192 E196 A197 N198R190-L194 WeakPolarHBondContact O-CB 3.46Å; R190-L194 PolarHBondContact O-N 3.05Å; R190-L194 VanDerWaalsContact O-N 3.12Å; K191-L194 PolarHBondContact O-N 3.26Å; A192-L194 VanDerWaalsContact C-N 3.28Å; A192-L194 PolarHBondContact O-N 2.88Å; L194-E196 VanDerWaalsContact C-N 3.35Å; L194-A197 PolarHBondContact O-N 2.99Å; L194-N198 PolarHBondContact O-N 3.3Å
195E87.1Confident84.5Confident98 Ų98116.6 Ų116.646%0.45855%0.546SS..Hα-helixtrans-64.3-38.8174-77.6178-169.400111.6K191 A192 N198 R199K191-E195 VanDerWaalsContact CE-OE1 3.25Å; K191-E195 WeakPolarHBondContact CE-OE1 3.37Å; K191-E195 WeakPolarHBondContact O-CG 3.38Å; K191-E195 PolarHBondContact O-N 3.5Å; A192-E195 PolarHBondContact O-N 2.98Å; E195-N198 PolarHBondContact O-N 2.91Å; E195-R199 WeakPolarHBondContact O-CG 3.28Å; E195-R199 PolarHBondContact O-N 3.4Å
196E87.4Confident84.2Confident130 Ų130116 Ų11661%0.60754%0.544SS*.Hα-helixtrans-70.3-39.3176.3-170.6150.9-171.100112.2A192 L194 N198 R199 L200A192-E196 PolarHBondContact O-N 3.03Å; L194-E196 VanDerWaalsContact C-N 3.35Å; E196-N198 PolarHBondContact O-N 3.17Å; E196-R199 PolarHBondContact O-N 2.96Å; E196-L200 WeakPolarHBondContact O-CG 3.38Å; E196-L200 PolarHBondContact O-N 3.46Å
197A84.3Confident83.8Confident52 Ų52118.9 Ų118.943%0.4356%0.558SS.*Hα-helixtrans-62.9-40.1173.100000112.6D193 L194 L200 R201D193-A197 WeakPolarHBondContact O-CB 3.47Å; D193-A197 PolarHBondContact O-N 3.2Å; L194-A197 PolarHBondContact O-N 2.99Å; A197-L200 PolarHBondContact O-N 2.99Å; A197-R201 PolarHBondContact O-N 3.34Å; A197-R201 VanDerWaalsContact O-N 3.13Å
198N85.1Confident83.5Confident89 Ų89120 Ų12048%0.47656%0.563SS.*Hα-helixtrans-66.2-42175.1-82.1-8.6000112L194 E195 E196 L200 R201 E202L194-N198 PolarHBondContact O-N 3.3Å; E195-N198 PolarHBondContact O-N 2.91Å; E196-N198 PolarHBondContact O-N 3.17Å; N198-L200 VanDerWaalsContact C-N 3.34Å; N198-L200 PolarHBondContact O-N 3.18Å; N198-R201 PolarHBondContact O-N 2.84Å; N198-E202 PolarHBondContact O-N 2.89Å
199R86.3Confident82.8Confident173 Ų173117.9 Ų117.965%0.65356%0.56SS**Hα-helixtrans-61.2-40.3175.4-78.6-178.3179173.23.7112.9E195 E196 R201 E202 L203E195-R199 WeakPolarHBondContact O-CG 3.28Å; E195-R199 PolarHBondContact O-N 3.4Å; E196-R199 PolarHBondContact O-N 2.96Å; R199-R201 VanDerWaalsContact C-N 3.32Å; R199-E202 PolarHBondContact O-N 3Å; R199-L203 WeakPolarHBondContact O-CG 3.4Å; R199-L203 PolarHBondContact O-N 3.12Å; R199-L203 VanDerWaalsContact O-N 3.13Å
200L86.6Confident82Confident108 Ų108119 Ų11957%0.56556%0.564SS**Hα-helixtrans-65.9-37176.6-73.4171.9000111.9E196 A197 N198 L203 E204E196-L200 WeakPolarHBondContact O-CG 3.38Å; E196-L200 PolarHBondContact O-N 3.46Å; A197-L200 PolarHBondContact O-N 2.99Å; N198-L200 VanDerWaalsContact C-N 3.34Å; N198-L200 PolarHBondContact O-N 3.18Å; L200-L203 PolarHBondContact O-N 3.44Å; L200-E204 PolarHBondContact O-N 3.43Å; L200-E204 VanDerWaalsContact O-N 3.13Å
201R85.1Confident81.2Confident158 Ų158114.2 Ų114.260%0.59657%0.566SS**Hα-helixtrans-68.6-41.2176.4-170.2-179.7166.9179.70.6112.4A197 N198 R199 L203 E204 E205A197-R201 PolarHBondContact O-N 3.34Å; A197-R201 VanDerWaalsContact O-N 3.13Å; N198-R201 PolarHBondContact O-N 2.84Å; R199-R201 VanDerWaalsContact C-N 3.32Å; R201-L203 VanDerWaalsContact C-N 3.32Å; R201-L203 PolarHBondContact O-N 3.28Å; R201-E204 PolarHBondContact O-N 3.24Å; R201-E205 IonicContact CZ-OE1 3.78Å; R201-E205 IonicContact NE-OE1 3.05Å; R201-E205 PolarHBondContact NE-OE1 3.07Å; R201-E205 VanDerWaalsContact NE-OE1 3.12Å; R201-E205 IonicContact NH2-OE1 3.98Å; R201-E205 WeakPolarHBondContact O-CG 3.27Å; R201-E205 PolarHBondContact O-N 3.01Å
202E84Confident79.8Confident123 Ų123118.1 Ų118.158%0.57558%0.579SS**Hα-helixtrans-61-39.8174.4-75.6175.7173.600111.7N198 R199 E205 E206N198-E202 PolarHBondContact O-N 2.89Å; R199-E202 PolarHBondContact O-N 3Å; E202-E205 PolarHBondContact O-N 3.49Å; E202-E206 PolarHBondContact O-N 3.42Å
203L83.5Confident77.7Confident106 Ų106122.6 Ų122.656%0.55560%0.595SS**Hα-helixtrans-66.4-39.7175.9-70.8171.8000112.7R199 L200 R201 E205 E206 E207R199-L203 WeakPolarHBondContact O-CG 3.4Å; R199-L203 PolarHBondContact O-N 3.12Å; R199-L203 VanDerWaalsContact O-N 3.13Å; L200-L203 PolarHBondContact O-N 3.44Å; R201-L203 VanDerWaalsContact C-N 3.32Å; R201-L203 PolarHBondContact O-N 3.28Å; L203-E205 VanDerWaalsContact C-N 3.32Å; L203-E206 PolarHBondContact O-N 3.33Å; L203-E207 WeakPolarHBondContact O-CB 3.49Å; L203-E207 PolarHBondContact O-N 2.99Å
204E81.6Confident75.5Confident121 Ų121126.6 Ų126.657%0.56561%0.61SS**Hα-helixtrans-65.2-35.2173.8-83.4-169.816600112.4L200 R201 K208L200-E204 PolarHBondContact O-N 3.43Å; L200-E204 VanDerWaalsContact O-N 3.13Å; R201-E204 PolarHBondContact O-N 3.24Å; E204-K208 WeakPolarHBondContact O-CG 3.39Å; E204-K208 PolarHBondContact O-N 3.45Å; E204-K208 VanDerWaalsContact O-N 3.09Å
205E80.1Confident73.2Confident99 Ų99126.3 Ų126.346%0.46362%0.615SS.*Hα-helixtrans-72.6-39.6176.4-73.6174.4-170.700111.7R201 E202 L203 K208 A209R201-E205 IonicContact CZ-OE1 3.78Å; R201-E205 IonicContact NE-OE1 3.05Å; R201-E205 PolarHBondContact NE-OE1 3.07Å; R201-E205 VanDerWaalsContact NE-OE1 3.12Å; R201-E205 IonicContact NH2-OE1 3.98Å; R201-E205 WeakPolarHBondContact O-CG 3.27Å; R201-E205 PolarHBondContact O-N 3.01Å; E202-E205 PolarHBondContact O-N 3.49Å; L203-E205 VanDerWaalsContact C-N 3.32Å; E205-K208 PolarHBondContact O-N 2.92Å; E205-A209 WeakPolarHBondContact O-CB 3.31Å; E205-A209 PolarHBondContact O-N 2.99Å
206E76.3Confident70.8Confident121 Ų121130.5 Ų130.557%0.56563%0.634SS**Hα-helixtrans-65.1-38.5172.4-79.4-167.7166.700112.7E202 L203 A209 R210E202-E206 PolarHBondContact O-N 3.42Å; L203-E206 PolarHBondContact O-N 3.33Å; E206-A209 PolarHBondContact O-N 3.47Å; E206-R210 PolarHBondContact O-N 3.32Å
207E76.9Confident68.5Low153 Ų153132 Ų13272%0.71564%0.641SS**Hα-helixtrans-66.5-39.8176.2-166.3175-176.700111.2L203L203-E207 WeakPolarHBondContact O-CB 3.49Å; L203-E207 PolarHBondContact O-N 2.99Å
208K74Confident66.3Low142 Ų142135.2 Ų135.262%0.61765%0.65SS**Hα-helixtrans-64.5-39.8171.4-77.6172.8-175.9163.90112.2E204 E205 G211 Y212E204-K208 WeakPolarHBondContact O-CG 3.39Å; E204-K208 PolarHBondContact O-N 3.45Å; E204-K208 VanDerWaalsContact O-N 3.09Å; E205-K208 PolarHBondContact O-N 2.92Å; K208-G211 PolarHBondContact O-N 3Å; K208-Y212 WeakPolarHBondContact O-CD2 3.43Å
209A70.6Confident64Low59 Ų59139.3 Ų139.349%0.48866%0.664SS.*Hα-helixtrans-67.7-35.1-179.900000112.9E205 E206 G211 Y212E205-A209 WeakPolarHBondContact O-CB 3.31Å; E205-A209 PolarHBondContact O-N 2.99Å; E206-A209 PolarHBondContact O-N 3.47Å; A209-G211 PolarHBondContact O-N 3.38Å; A209-Y212 PolarHBondContact O-N 3.29Å
210R68.1Low61.6Low209 Ų209138.9 Ų138.979%0.78967%0.669SS**Hα-helixtrans-66.7-19.1175-76.2-173-171.3-131.93.1113.7E206 Y212E206-R210 PolarHBondContact O-N 3.32Å; R210-Y212 VanDerWaalsContact C-N 3.35Å; R210-Y212 PolarHBondContact O-N 3.13Å
211G62.9Low59.2Low65 Ų65141.8 Ų141.867%0.6768%0.68SS**THydrogen-bonded Turntrans-74.7-14.2178.100000115.7K208 A209K208-G211 PolarHBondContact O-N 3Å; A209-G211 PolarHBondContact O-N 3.38Å
212Y55.2Low56.9Low213 Ų213142.1 Ų142.184%0.83569%0.694SS**SBendtrans-116.87.9-165.4-82.1-85.1000116.4K208 A209 R210 H214K208-Y212 WeakPolarHBondContact O-CD2 3.43Å; A209-Y212 PolarHBondContact O-N 3.29Å; R210-Y212 VanDerWaalsContact C-N 3.35Å; R210-Y212 PolarHBondContact O-N 3.13Å; Y212-H214 PolarHBondContact O-N 3.46Å
213L44.4Very low54.5Low143 Ų143145.4 Ų145.475%0.74971%0.709SS**  trans-95.690.6-177.7-76.7161.9000113.1
214H40.6Very low52.5Low183 Ų183146.9 Ų146.985%0.84772%0.722SS**  trans-157.1107.8148.4-129-30.9000112.1Y212Y212-H214 PolarHBondContact O-N 3.46Å
215P36.9Very low50.1Low108 Ų108148.3 Ų148.370%0.70173%0.734SS**  trans-120.4147.2-18034.8-21.1000115.3
216H37.3Very low48.3Very low185 Ų185151 Ų15186%0.85675%0.751SS**  trans-154.2117.5164.1-96.7-82.3000106.4
217H39.7Very low46.5Very low161 Ų161152.6 Ų152.675%0.74576%0.763SS**  cis86.593.647.3-151.339.3000115.4
218L38.1Very low44.8Very low120 Ų120152.7 Ų152.763%0.62877%0.769SS**  132.2130.4127.8-78.2171.5000120.1
219K36.8Very low43.2Very low175 Ų175153.8 Ų153.876%0.76178%0.782SS**  trans76.4148.7144.2-70169.7-179.4-174.60120
220E35.9Very low42Very low164 Ų164157.7 Ų157.777%0.76679%0.79SS**  cis-174.5151-31.8-142.1168.3-166.300104
221E34.8Very low40.5Very low169 Ų169159.3 Ų159.379%0.7980%0.796SS**  trans81.1106.6167.1-54.4176.3-176.900119.3
222D37.5Very low39.3Very low166 Ų166165.3 Ų165.389%0.88881%0.807SS**  -175.5139116.9-94-26.2000112.1
223E33.3Very low38.4Very low192 Ų192164.1 Ų164.190%0.89781%0.809SS**  trans-68.2132.7-172.3-62.2173.7146.500114.3
224V40.8Very low38.2Very low136 Ų136165.9 Ų165.982%0.82481%0.813SS**  trans-144.6121.8156.8-172.60000110.4
225D32.8Very low38Very low152 Ų152165.8 Ų165.881%0.81382%0.815SS**  trans-54.6126.2166.2-98.8-53.6000112
226D41.5Very low37.7Very low154 Ų154168.9 Ų168.982%0.82482%0.82SS**  trans-150.5116.6151.9-101.1-45.9000109.8D228D226-D228 PolarHBondContact O-N 3.12Å
227D38.8Very low37.7Very low155 Ų155166.4 Ų166.483%0.82982%0.822SS**  trans-63.4111.5173.5-77.1-73.5000110.9
228D41.4Very low37.3Very low155 Ų155162.2 Ų162.283%0.82982%0.823SS**  trans-140.963.3167.2-110.3-27.7000110.8D226D226-D228 PolarHBondContact O-N 3.12Å
229D39.2Very low37Very low165 Ų165160.1 Ų160.188%0.88283%0.83SS**  trans-103.875.5168.8-83.5-37.6000110.7
230E45.5Very low37.1Very low142 Ų142162.2 Ų162.266%0.66483%0.833SS**  trans-123.963.4160-76.4-163.716700110R21R21-E230 IonicContact NH2-OE1 2.76Å; R21-E230 PolarHBondContact NH2-OE1 2.99Å
231R37.4Very low37.1Very low242 Ų242163.9 Ų163.991%0.91384%0.841SS**  trans-15075.1163.7-69.7-164.6-156-142.26.5113.4
232E37.5Very low37.2Very low192 Ų192161.5 Ų161.590%0.89783%0.834SS**  trans-149142.6146.8-69.8-161.1161.400108.3
233E36.6Very low37.3Very low188 Ų188161.7 Ų161.788%0.87984%0.835SS**  trans91.465.8-178.8-53.1-170.8179.300118.2
234E39.6Very low37.5Very low179 Ų179158.7 Ų158.784%0.83683%0.825SS**  trans-14995.2138.6-125.6170.2-154.600110R22R22-E234 IonicContact NH1-OE1 3.12Å
235M36.9Very low37.3Very low182 Ų182158.1 Ų158.190%0.89782%0.817SS**  trans-93116.5176.1176.3-176.7-84.900109.3
236H31.3Very low37.5Very low172 Ų172159.7 Ų159.780%0.79682%0.819SS**  trans53.1120.6155.1-89.337000118.1
237C37.2Very low37.3Very low133 Ų133162.8 Ų162.890%0.89982%0.821SS**  -150.7113.280.5-800000114.1
238G30.7Very low37.3Very low74 Ų74159.9 Ų159.976%0.76382%0.819SS**  trans40.6121.6133.800000123.1
239G31.8Very low37Very low76 Ų76157.3 Ų157.378%0.78481%0.813SS**  trans175.271.4161.400000112.9
240W38.9Very low36.8Very low219 Ų219156.6 Ų156.683%0.8382%0.815SS**  trans-42137.8-174.7-51.983.7000118.4
241E36.6Very low36.3Very low198 Ų198155.8 Ų155.893%0.92582%0.819SS**  -169.4122.4113.5-98.7170-179.700109.5
242D35.4Very low36.3Very low119 Ų119149.8 Ų149.864%0.63681%0.81SS**  trans-70.7148.6-175.1-76.5-43.8000113.8
243D39.2Very low36.3Very low170 Ų170145.9 Ų145.991%0.90980%0.804SS**  trans-168.890.2136.2-93.9-30.1000108.5
244D37.8Very low36.4Very low130 Ų130145 Ų14570%0.69580%0.799SS**  trans-60.7160152.5-77.2-46.2000108.9
245D38.2Very low36.2Very low123 Ų123143.5 Ų143.566%0.65880%0.803SS**  cis-172.8169.522.1-122-32.6000108.4
246H36.3Very low36.2Very low186 Ų186145.9 Ų145.986%0.86180%0.802SS**  trans122.5120.6150.5-60.1-50.4000119.5
247Y37.8Very low36.6Very low218 Ų218142.8 Ų142.886%0.85580%0.799SS**  trans-114141.4-171.1169.1-86.5000109.1
248A37.6Very low36.6Very low95 Ų95144.9 Ų144.979%0.78580%0.796SS**  trans-178.3123.6143.100000111.8
249S35.5Very low36.8Very low101 Ų101150.7 Ų150.771%0.70680%0.803SS**  trans-104.8145.2165.5-69.20000109.7
250T35.3Very low37Very low150 Ų150150.9 Ų150.992%0.9281%0.806SS**  trans-149.4125.6149.633.90000112.4
251T35.5Very low36.9Very low124 Ų124149.6 Ų149.676%0.76181%0.809SS**  trans-77.7171.4164.940000109.4
252T36.4Very low37.2Very low116 Ų116149.5 Ų149.571%0.71281%0.811SS**  cis175.3179.647.8-5.60000110.8
253S38.5Very low37.3Very low110 Ų110146.9 Ų146.977%0.76981%0.812SS**  trans11198.6157.270.60000114.6
254E37.4Very low37.3Very low169 Ų169146.4 Ų146.479%0.7981%0.81SS**  82.511658.5-72-159.613700114.8
255T35.7Very low37.3Very low149 Ų149151.1 Ų151.191%0.91482%0.818SS**  trans-148.6132.5136.236.50000109.4
256R37.2Very low37.3Very low232 Ų232151.1 Ų151.188%0.87583%0.827SS**  trans-87.4156.9178.6-69.3166.596.2-173.47.9111.1
257S38.6Very low37.4Very low106 Ų106150.4 Ų150.474%0.74182%0.824SS**  trans162.3103.8138.5-81.60000108.4
258E38.1Very low37.2Very low177 Ų177146.3 Ų146.383%0.82783%0.826SS**  89.8110.895.8-80.6-176.8172.500114.5
259E34.5Very low36.9Very low196 Ų196144.9 Ų144.992%0.91682%0.821SS**  trans46127.6139.9-52-167.7163.400122.4
260G36.8Very low36.7Very low81 Ų81149.8 Ų149.884%0.83583%0.83SS**  trans171.4111.5163.300000114.1
261E36.9Very low36.4Very low191 Ų191146.6 Ų146.689%0.89382%0.819SS**  trans-67.3172.2177.7-80.4175.7116.800116.1
262M43Very low36.4Very low196 Ų196144.9 Ų144.997%0.96682%0.817SS**  trans76.4136.9169.7-69-175.717200115.6
263G38.1Very low36.2Very low65 Ų65149.6 Ų149.667%0.6782%0.822SS**  cis152.1149.212.300000107.6
264N38.1Very low36.1Very low160 Ų160149.6 Ų149.686%0.85682%0.822SS**  trans76.7110.7173.3-61-16.4000117.1
265R37.8Very low36.1Very low229 Ų229148 Ų14886%0.86482%0.815SS**  7098.173.4-169.1-179.1-175.8168.81.8112.3
266S38.4Very low36.4Very low123 Ų123152.3 Ų152.386%0.8682%0.816SS**  trans-158.2128.2135.5-1600000111.7
267E38.1Very low36.3Very low171 Ų171144.9 Ų144.980%0.79981%0.812SS**  trans-77.6137.6173.6-176.7179.4177.100109.3
268C34.6Very low36.3Very low131 Ų131143.7 Ų143.789%0.88582%0.816SS**  trans-162.1109.9152.8-138.60000109.8
269G30.1Very low36.3Very low66 Ų66141.9 Ų141.968%0.6882%0.817SS**  trans-80.5148160.500000110.3
270F31.9Very low36.3Very low203 Ų203136.8 Ų136.889%0.8981%0.808SS**  trans-157.4134.8151.6-150.5-99.7000111
271A29.9Very low36.3Very low84 Ų84138.5 Ų138.569%0.69481%0.805SS**  trans-92.2140.9173.200000110.4
272A34.9Very low36.1Very low88 Ų88134.5 Ų134.573%0.72780%0.798SS**  trans-163.7116159.800000106.2
273R32.4Very low35.8Very low214 Ų214131.7 Ų131.781%0.80878%0.783SS**  47.8105.165.9-164173.9179.7155.9-0.9114E275R273-E275 IonicContact CZ-OE1 2.78Å; R273-E275 IonicContact NE-OE1 2.74Å; R273-E275 PolarHBondContact NE-OE1 2.65Å; R273-E275 IonicContact NH2-OE1 2.91Å; R273-E275 PolarHBondContact NH2-OE1 3.15Å
274S36Very low35.9Very low111 Ų111138 Ų13878%0.77679%0.788SS**  trans-160.999.3149.7-172.10000105.8
275E36.9Very low35.6Very low135 Ų135135.5 Ų135.563%0.63179%0.789SS**  47.6105.183.5-75.1-179.8-163.500113.8R273R273-E275 IonicContact CZ-OE1 2.78Å; R273-E275 IonicContact NE-OE1 2.74Å; R273-E275 PolarHBondContact NE-OE1 2.65Å; R273-E275 IonicContact NH2-OE1 2.91Å; R273-E275 PolarHBondContact NH2-OE1 3.15Å
276Y41.7Very low35.6Very low239 Ų239129.3 Ų129.394%0.93779%0.787SS**  trans-129.8113.3149.4-120.1-91.1000107.1
277G35.8Very low35.5Very low77 Ų77127.8 Ų127.879%0.79478%0.782SS**  trans-88.4151.9178.300000112.5
278G39.4Very low35.8Very low80 Ų80126 Ų12683%0.82579%0.785SS**  trans-156.7119.8167.800000108.6
279T37Very low36.1Very low140 Ų140127.2 Ų127.286%0.85978%0.782SS**  trans-89.9128.6-154.6-39.20000113.5
280A33.8Very low36.3Very low88 Ų88129.8 Ų129.873%0.72779%0.786SS**  trans35.7163.7137.300000122.3
281P37Very low36.8Very low117 Ų117128.1 Ų128.176%0.7679%0.786SS**  cis-139.7148.113.134.8-12.6000119
282S33.5Very low37Very low107 Ų107129.6 Ų129.675%0.74879%0.788SS**  trans38.2119.2132.5-170.30000120.4
283E35.9Very low37Very low138 Ų138133.8 Ų133.865%0.64580%0.798SS**  -176.7149.9106.4-94.2178.8145.300112.9
284Y40.8Very low37.3Very low197 Ų197135.1 Ų135.177%0.77380%0.803SS**  trans81.986.1163.7-38.5-64.5000119.7
285A32.4Very low37.1Very low108 Ų108141 Ų14189%0.89381%0.808SS**  trans-90.2131.2152.800000109.9
286A37.4Very low37.3Very low98 Ų98145 Ų14581%0.8182%0.817SS**  trans-148.1110161.600000110
287A36.9Very low37Very low92 Ų92140.7 Ų140.776%0.7681%0.81SS**PPolyproline II helixtrans-68140.4167.700000110.4L289A287-L289 PolarHBondContact O-N 2.85Å
288P42.5Very low37.3Very low132 Ų132145.4 Ų145.486%0.85781%0.812SS**PPolyproline II helixtrans-79.3117.2168.3-9.826.9000110.3
289L42Very low37.2Very low157 Ų157152.8 Ų152.882%0.82282%0.815SS**PPolyproline II helixtrans-62.2148.2168.8-68.7164.3000111.5A287A287-L289 PolarHBondContact O-N 2.85Å
290P35.2Very low37.4Very low120 Ų120151 Ų15178%0.77981%0.808SS**PPolyproline II helixtrans-76.9126.6172.327.6-25.3000110.5
291L41.3Very low37.9Very low169 Ų169155.4 Ų155.489%0.88581%0.813SS**PPolyproline II helixtrans-72.6141177.7-75.3169.2000111.7
292P34.6Very low38Very low114 Ų114155 Ų15574%0.7482%0.82SS**PPolyproline II helixtrans-90.2125.9-170.36.913000112.2R294P292-R294 PolarHBondContact O-N 3.24Å
293L33.6Very low38.5Very low176 Ų176153.6 Ų153.692%0.92182%0.822SS**  trans-69.8105.7165.8-83.7165000110R295L293-R295 PolarHBondContact O-N 3.49Å
294R39.9Very low38.5Very low243 Ų243154.7 Ų154.792%0.91783%0.832SS**  trans-74.9112.5167.1-86.9-157.7153.2166.1-2.7110.5P292P292-R294 PolarHBondContact O-N 3.24Å
295R31.6Very low38.6Very low234 Ų234151 Ų15188%0.88384%0.835SS**  trans-66.9135.1159.3-69.7-176.4-178.4170.70.4109.5L293L293-R295 PolarHBondContact O-N 3.49Å
296R41.1Very low38.9Very low220 Ų220151.3 Ų151.383%0.8383%0.831SS**  trans-126.6108.7156.1-171.6171.8-177.6151.5-0.2107.4
297D34.6Very low38.8Very low147 Ų147151.4 Ų151.479%0.78683%0.826SS**  trans-64.9127.3166-73.4-57.9000109.4
298E42.6Very low38.7Very low176 Ų176153.3 Ų153.382%0.82283%0.828SS**  trans-135.4130.5145-78.2-165.5114.700110.4
299R36.9Very low38.5Very low235 Ų235154 Ų15489%0.88783%0.83SS**  trans-92.7133.9-172.3175-176.1-169.4-1512107.9
300S42.4Very low38.1Very low102 Ų102152.3 Ų152.371%0.71383%0.826SS**  171.3132.4127.4-76.60000114.1
301E43.2Very low38Very low182 Ų182151.2 Ų151.285%0.8583%0.827SS**  trans75.993.7142-65.9-174.1160.900121.6
302A39.6Very low37.8Very low109 Ų109148.3 Ų148.390%0.90183%0.827SS**  31109.5119.900000118.9
303G43.9Very low38.1Very low77 Ų77147.1 Ų147.179%0.79483%0.827SS**  trans-158.898.2162.100000109.6
304D36.9Very low38.7Very low160 Ų160144.8 Ų144.886%0.85681%0.812SS**  trans-67.8122.2179.5-162.67.8000110.4
305S43Very low39.1Very low119 Ų119141 Ų14183%0.83281%0.806SS**  trans-16388165.8-80.50000111S307S305-S307 PolarHBondContact O-N 2.75Å
306S38Very low40.5Very low115 Ų115136.5 Ų136.580%0.80479%0.789SS**  trans-63.4103.7162.4162.40000111.1
307S35.1Very low41.9Very low101 Ų101131.3 Ų131.371%0.70678%0.776SS**  trans171.993.1142.956.90000111.7S305S305-S307 PolarHBondContact O-N 2.75Å
308T35.2Very low43.7Very low132 Ų132128.1 Ų128.181%0.8176%0.761SS**  trans-166.487.4151.14.10000109.9T310T308-T310 VanDerWaalsContact C-N 3.3Å; T308-T310 PolarHBondContact O-N 3.11Å
309V37.2Very low45.4Very low146 Ų146121.4 Ų121.489%0.88573%0.731SS**  trans-81.482.5161.9178.70000106.2
310T34.9Very low47.3Very low122 Ų122117.7 Ų117.775%0.74872%0.717SS**  trans166.7107.3163.839.20000109.8T308T308-T310 VanDerWaalsContact C-N 3.3Å; T308-T310 PolarHBondContact O-N 3.11Å
311A33.4Very low49.4Very low97 Ų97114.1 Ų114.180%0.80269%0.689SS**  trans139.465.715900000112.1A313A311-A313 VanDerWaalsContact C-N 3.29Å; A311-A313 PolarHBondContact O-N 2.96Å; A311-A313 VanDerWaalsContact O-N 3.08Å
312A36.4Very low51.5Low107 Ų107114.6 Ų114.688%0.88468%0.683SS**  trans-71.497151.500000106.2E314A312-E314 PolarHBondContact O-N 3.35Å
313A39.9Very low53.9Low90 Ų90111.4 Ų111.474%0.74465%0.652SS**  trans-56.4120.4178.200000109.9A311 M315A311-A313 VanDerWaalsContact C-N 3.29Å; A311-A313 PolarHBondContact O-N 2.96Å; A311-A313 VanDerWaalsContact O-N 3.08Å; A313-M315 PolarHBondContact O-N 3.3Å
314E46.6Very low56.1Low126 Ų126107.8 Ų107.859%0.58962%0.615SS**  trans-53.8102.1166.9-76.1179.116300109.1T74 A312 R316T74-E314 HydrophobicContact CG2-CB 4.42Å; T74-E314 HydrophobicContact CG2-CG 4.3Å; A312-E314 PolarHBondContact O-N 3.35Å; E314-R316 PolarHBondContact O-N 3.13Å; E314-R316 IonicContact OE2-CZ 2.69Å; E314-R316 IonicContact OE2-NE 3.56Å; E314-R316 IonicContact OE2-NH2 3.51Å; E314-R316 PolarHBondContact OE2-NH2 3.49Å
315M49.3Very low58.7Low163 Ų163101.8 Ų101.880%0.80359%0.587SS**  trans-73.796.3174-155.5170.4-138.600107.8T75 A313 M317T75-M315 PolarHBondContact OG1-O 2.6Å; A313-M315 PolarHBondContact O-N 3.3Å; M315-M317 PolarHBondContact O-N 3.11Å
316R60.2Low61Low140 Ų14099.9 Ų99.953%0.52857%0.565SS.*EExtended strand (participates in β ladder)trans-77117.8174.7-65.4-177.3-173.8169.13.4109.1L73 E314L73-R316 WeakPolarHBondContact O-CA 3.44Å; E314-R316 PolarHBondContact O-N 3.13Å; E314-R316 IonicContact OE2-CZ 2.69Å; E314-R316 IonicContact OE2-NE 3.56Å; E314-R316 IonicContact OE2-NH2 3.51Å; E314-R316 PolarHBondContact OE2-NH2 3.49Å
317M69.7Low63.6Low112 Ų11294.4 Ų94.455%0.55253%0.527SS*.EExtended strand (participates in β ladder)trans-82.2121.1177.1-167.4175.3173.800109.2L73 M315 I319L73-M317 PolarHBondContact N-O 3Å; L73-M317 PolarHBondContact O-N 2.94Å; M315-M317 PolarHBondContact O-N 3.11Å; M317-I319 HydrophobicContact CE-CD1 4.38Å; M317-I319 HydrophobicContact CE-CG1 4.13Å; M317-I319 HydrophobicContact CG-CD1 4.22Å; M317-I319 HydrophobicContact CG-CG1 3.93Å; M317-I319 PolarHBondContact O-N 3.18Å; M317-I319 HydrophobicContact SD-CD1 4.05Å; M317-I319 HydrophobicContact SD-CG1 4.2Å
318V73.5Confident66.4Low79 Ų7989.6 Ų89.648%0.47949%0.494SS..EExtended strand (participates in β ladder)trans-84.6106.5176.1-172.10000108.3P70 L72P70-V318 HydrophobicContact CB-CG1 3.4Å; P70-V318 VanDerWaalsContact CB-CG1 3.4Å; P70-V318 HydrophobicContact CG-CG1 3.76Å; L72-V318 HydrophobicContact CD2-CB 4.27Å; L72-V318 HydrophobicContact CD2-CG1 4.24Å; L72-V318 HydrophobicContact CD2-CG2 3.65Å
319I78.2Confident69.2Low36 Ų3685.8 Ų85.819%0.18548%0.475CS..EExtended strand (participates in β ladder)trans-108.7130.1179.3-63.5165.2000109.4V71 L73 M317 H321V71-I319 PolarHBondContact N-O 2.76Å; V71-I319 PolarHBondContact O-N 3.33Å; L73-I319 HydrophobicContact CB-CD1 4.41Å; L73-I319 HydrophobicContact CD1-CD1 3.41Å; L73-I319 VanDerWaalsContact CD1-CD1 3.41Å; L73-I319 HydrophobicContact CG-CD1 3.9Å; M317-I319 HydrophobicContact CE-CD1 4.38Å; M317-I319 HydrophobicContact CE-CG1 4.13Å; M317-I319 HydrophobicContact CG-CD1 4.22Å; M317-I319 HydrophobicContact CG-CG1 3.93Å; M317-I319 PolarHBondContact O-N 3.18Å; M317-I319 HydrophobicContact SD-CD1 4.05Å; M317-I319 HydrophobicContact SD-CG1 4.2Å; I319-H321 VanDerWaalsContact CG2-CE1 3.47Å; I319-H321 WeakPolarHBondContact CG2-CE1 3.48Å
320R77Confident71.8Confident157 Ų15779.5 Ų79.559%0.59244%0.439SS*.  trans-123.5114.6172.1-72.9-169.9170.293.3-7.3108.9P70P70-R320 HydrophobicContact CB-CG 3.59Å
321H87.2Confident74.6Confident27 Ų2773.7 Ų73.713%0.12540%0.403CS..  trans-86.8141.7168.8-57.6105.2000109V64 I319 E326 I327 A330 Q523V64-H321 WeakPolarHBondContact CB-O 3.49Å; V64-H321 WeakPolarHBondContact CG2-O 3.32Å; I319-H321 VanDerWaalsContact CG2-CE1 3.47Å; I319-H321 WeakPolarHBondContact CG2-CE1 3.48Å; H321-E326 HydrophobicContact CB-CB 3.9Å; H321-E326 PolarHBondContact CD2-O 2.81Å; H321-I327 HydrophobicContact CB-CB 4.4Å; H321-I327 HydrophobicContact CB-CG1 3.46Å; H321-I327 VanDerWaalsContact CB-CG1 3.46Å; H321-A330 VanDerWaalsContact NE2-CB 3.33Å; H321-A330 WeakPolarHBondContact NE2-CB 3.33Å; H321-Q523 PolarHBondContact ND1-NE2 3.22Å; H321-Q523 PolarHBondContact ND1-OE1 3Å
322R85.9Confident77.5Confident192 Ų19272.1 Ų72.173%0.72538%0.379SS*.  trans-95.2-26.5-175-60.1177.2179.5-175.90.6112.9A63 V64 E326A63-R322 WeakPolarHBondContact CA-O 3.45Å; V64-R322 PolarHBondContact N-O 3.36Å; R322-E326 WeakPolarHBondContact CB-OE2 3.45Å; R322-E326 PolarHBondContact N-OE2 3.44Å
323T89.8Confident80.3Confident41 Ų4171.9 Ų71.925%0.25236%0.36SS..BIsolated β-bridgetrans-134.4160.1-17463.70000110.7L62 A325 E326 I327L62-T323 WeakPolarHBondContact O-CA 3.44Å; T323-A325 PolarHBondContact O-N 3.24Å; T323-E326 PolarHBondContact O-N 2.93Å; T323-E326 WeakPolarHBondContact OG1-CG 3.37Å; T323-E326 PolarHBondContact OG1-N 3.36Å; T323-I327 PolarHBondContact O-N 3.18Å; T323-I327 VanDerWaalsContact O-N 3.11Å
324L91.3Very high82.9Confident2 Ų269.3 Ų69.31%0.0133%0.331CS..Hα-helixtrans-56.4-38.2171.5176.463.8000111.5A56 H59 L62 E326 I327 V328 L527 I734A56-L324 HydrophobicContact CB-CD2 4.27Å; A56-L324 HydrophobicContact CB-CG 3.96Å; H59-L324 HydrophobicContact CB-CD2 4.39Å; L62-L324 HydrophobicContact CB-CB 4Å; L62-L324 HydrophobicContact CD1-CD2 3.7Å; L62-L324 PolarHBondContact O-N 2.61Å; L324-E326 PolarHBondContact O-N 3.39Å; L324-I327 PolarHBondContact O-N 3.34Å; L324-V328 HydrophobicContact CD1-CG2 3.84Å; L324-V328 HydrophobicContact CG-CG2 4.26Å; L324-V328 WeakPolarHBondContact O-CB 3.47Å; L324-V328 WeakPolarHBondContact O-CG2 3.41Å; L324-V328 PolarHBondContact O-N 3.28Å; L324-L527 HydrophobicContact CB-CD1 4.24Å; L324-L527 HydrophobicContact CB-CD2 4.14Å; L324-L527 HydrophobicContact CD1-CD1 3.83Å; L324-L527 HydrophobicContact CG-CD1 4.46Å; L324-I734 HydrophobicContact CD1-CG2 4.29Å; L324-I734 HydrophobicContact CD2-CD1 4.1Å
325A91.2Very high85.1Confident34 Ų3463.3 Ų63.328%0.28130%0.303SS..Hα-helixtrans-61.5-41.3177.600000112.5T323 V328 A329T323-A325 PolarHBondContact O-N 3.24Å; A325-V328 PolarHBondContact O-N 2.89Å; A325-A329 VanDerWaalsContact O-CB 3.24Å; A325-A329 WeakPolarHBondContact O-CB 3.45Å; A325-A329 PolarHBondContact O-N 3.3Å
326E91.8Very high87.2Confident78 Ų7857.9 Ų57.936%0.36428%0.279SS..Hα-helixtrans-66.7-42.3175.3-75.4176.6-157.400112.3H321 R322 T323 L324 V328 A329 A330H321-E326 HydrophobicContact CB-CB 3.9Å; H321-E326 PolarHBondContact CD2-O 2.81Å; R322-E326 WeakPolarHBondContact CB-OE2 3.45Å; R322-E326 PolarHBondContact N-OE2 3.44Å; T323-E326 PolarHBondContact O-N 2.93Å; T323-E326 WeakPolarHBondContact OG1-CG 3.37Å; T323-E326 PolarHBondContact OG1-N 3.36Å; L324-E326 PolarHBondContact O-N 3.39Å; E326-V328 VanDerWaalsContact C-N 3.34Å; E326-V328 PolarHBondContact O-N 3.47Å; E326-A329 PolarHBondContact O-N 3.44Å; E326-A330 PolarHBondContact O-N 3.46Å; E326-A330 VanDerWaalsContact O-N 3.13Å
327I92.1Very high88.8Confident0 Ų054.4 Ų54.40%027%0.267CS..Hα-helixtrans-58.9-49.5175.4-65.8172.7000110V64 H321 T323 L324 A330 I331 I520 Q523 V524 L527V64-I327 HydrophobicContact CG2-CD1 3.56Å; V64-I327 HydrophobicContact CG2-CG1 4.32Å; H321-I327 HydrophobicContact CB-CB 4.4Å; H321-I327 HydrophobicContact CB-CG1 3.46Å; H321-I327 VanDerWaalsContact CB-CG1 3.46Å; T323-I327 PolarHBondContact O-N 3.18Å; T323-I327 VanDerWaalsContact O-N 3.11Å; L324-I327 PolarHBondContact O-N 3.34Å; I327-A330 PolarHBondContact O-N 3.2Å; I327-I331 HydrophobicContact CG2-CD1 3.87Å; I327-I331 WeakPolarHBondContact O-CG1 3.37Å; I327-I331 PolarHBondContact O-N 3.14Å; I327-I520 HydrophobicContact CG2-CG2 3.92Å; I327-Q523 HydrophobicContact CD1-CB 3.69Å; I327-Q523 HydrophobicContact CG1-CB 4.22Å; I327-V524 HydrophobicContact CD1-CG2 4.03Å; I327-V524 HydrophobicContact CG2-CG2 3.82Å; I327-L527 HydrophobicContact CD1-CD2 4.39Å
328V94Very high89.9Confident1 Ų149 Ų491%0.00624%0.241CC..Hα-helixtrans-69.6-37.3-175.7169.30000111.6L52 A56 L324 A325 E326 A330 I331 E332L52-V328 HydrophobicContact CB-CG1 4.06Å; L52-V328 HydrophobicContact CD2-CG1 3.99Å; L52-V328 HydrophobicContact CD2-CG2 4.24Å; L52-V328 HydrophobicContact CG-CG1 3.62Å; L52-V328 HydrophobicContact CG-CG2 4.05Å; A56-V328 HydrophobicContact CB-CB 3.8Å; A56-V328 HydrophobicContact CB-CG1 4.01Å; A56-V328 HydrophobicContact CB-CG2 3.83Å; L324-V328 HydrophobicContact CD1-CG2 3.84Å; L324-V328 HydrophobicContact CG-CG2 4.26Å; L324-V328 WeakPolarHBondContact O-CB 3.47Å; L324-V328 WeakPolarHBondContact O-CG2 3.41Å; L324-V328 PolarHBondContact O-N 3.28Å; A325-V328 PolarHBondContact O-N 2.89Å; E326-V328 VanDerWaalsContact C-N 3.34Å; E326-V328 PolarHBondContact O-N 3.47Å; V328-A330 VanDerWaalsContact C-N 3.29Å; V328-A330 PolarHBondContact O-N 3.32Å; V328-I331 CarbonylContact O-C 3.59Å; V328-I331 PolarHBondContact O-N 3.43Å; V328-I331 VanDerWaalsContact O-N 3.16Å; V328-E332 WeakPolarHBondContact O-CB 3.46Å; V328-E332 PolarHBondContact O-N 2.89Å
329A93.2Very high90.8Very high51 Ų5145.3 Ų45.342%0.42122%0.218SC..Hα-helixtrans-59.7-40.7173.500000111.7A325 E326 E332 E333A325-A329 VanDerWaalsContact O-CB 3.24Å; A325-A329 WeakPolarHBondContact O-CB 3.45Å; A325-A329 PolarHBondContact O-N 3.3Å; E326-A329 PolarHBondContact O-N 3.44Å; A329-E332 PolarHBondContact O-N 2.95Å; A329-E333 PolarHBondContact O-N 2.89Å; A329-E333 VanDerWaalsContact O-N 3.17Å
330A92.6Very high91.5Very high15 Ų1548.3 Ų48.312%0.12423%0.232CC..Hα-helixtrans-65.6-42.917400000111.7H321 E326 I327 V328 E332 E333 Y334 I520H321-A330 VanDerWaalsContact NE2-CB 3.33Å; H321-A330 WeakPolarHBondContact NE2-CB 3.33Å; E326-A330 PolarHBondContact O-N 3.46Å; E326-A330 VanDerWaalsContact O-N 3.13Å; I327-A330 PolarHBondContact O-N 3.2Å; V328-A330 VanDerWaalsContact C-N 3.29Å; V328-A330 PolarHBondContact O-N 3.32Å; A330-E332 VanDerWaalsContact C-N 3.32Å; A330-E332 PolarHBondContact O-N 3.45Å; A330-E333 PolarHBondContact O-N 3.33Å; A330-Y334 WeakPolarHBondContact O-CD2 3.36Å; A330-Y334 PolarHBondContact O-N 3Å; A330-I520 HydrophobicContact CB-CD1 4.16Å; A330-I520 HydrophobicContact CB-CG2 4.25Å
331I94.1Very high92.2Very high0 Ų042.1 Ų42.10%021%0.214CC..Hα-helixtrans-61-40.2174.9-69.3170.7000111.6L52 I327 V328 Y334 F335 Q517 I520 V521 F742L52-I331 HydrophobicContact CD2-CG2 4.39Å; I327-I331 HydrophobicContact CG2-CD1 3.87Å; I327-I331 WeakPolarHBondContact O-CG1 3.37Å; I327-I331 PolarHBondContact O-N 3.14Å; V328-I331 CarbonylContact O-C 3.59Å; V328-I331 PolarHBondContact O-N 3.43Å; V328-I331 VanDerWaalsContact O-N 3.16Å; I331-Y334 PolarHBondContact O-N 3.25Å; I331-F335 HydrophobicContact CG2-CD2 3.71Å; I331-F335 HydrophobicContact CG2-CE2 3.56Å; I331-F335 WeakPolarHBondContact O-CD2 3.48Å; I331-F335 PolarHBondContact O-N 2.97Å; I331-Q517 HydrophobicContact CG2-CG 4.24Å; I331-Q517 PolarHBondContact O-NE2 2.93Å; I331-I520 HydrophobicContact CD1-CG2 4.33Å; I331-I520 HydrophobicContact CG1-CB 4.37Å; I331-I520 HydrophobicContact CG1-CG2 3.83Å; I331-V521 HydrophobicContact CD1-CB 3.94Å; I331-V521 HydrophobicContact CD1-CG2 3.94Å; I331-F742 HydrophobicContact CD1-CE2 4.39Å; I331-F742 HydrophobicContact CG2-CE1 4.12Å; I331-F742 HydrophobicContact CG2-CE2 4.35Å; I331-F742 HydrophobicContact CG2-CZ 3.57Å
332E94.4Very high92.3Very high63 Ų6340.9 Ų40.929%0.29421%0.208SC..Hα-helixtrans-60.1-44.9178.2169.5173.3-157.100111.7A49 S53 V328 A329 A330 Y334 F335 V336A49-E332 HydrophobicContact CB-CB 4.21Å; A49-E332 HydrophobicContact CB-CG 3.98Å; S53-E332 VanDerWaalsContact CB-OE2 3.27Å; S53-E332 WeakPolarHBondContact CB-OE2 3.23Å; S53-E332 VanDerWaalsContact OG-CD 3.3Å; S53-E332 PolarHBondContact OG-OE2 2.84Å; V328-E332 WeakPolarHBondContact O-CB 3.46Å; V328-E332 PolarHBondContact O-N 2.89Å; A329-E332 PolarHBondContact O-N 2.95Å; A330-E332 VanDerWaalsContact C-N 3.32Å; A330-E332 PolarHBondContact O-N 3.45Å; E332-Y334 PolarHBondContact O-N 3.49Å; E332-F335 WeakPolarHBondContact O-CB 3.37Å; E332-F335 PolarHBondContact O-N 3.43Å; E332-V336 WeakPolarHBondContact O-CG2 3.23Å; E332-V336 PolarHBondContact O-N 3.08Å
333E94.3Very high92.4Very high102 Ų10235 Ų3548%0.47719%0.192SC..Hα-helixtrans-55-43.5176.4-172.7-175.2159.900111.4A329 A330 V336 K337A329-E333 PolarHBondContact O-N 2.89Å; A329-E333 VanDerWaalsContact O-N 3.17Å; A330-E333 PolarHBondContact O-N 3.33Å; E333-V336 PolarHBondContact O-N 3.49Å; E333-K337 WeakPolarHBondContact O-CG 3.35Å; E333-K337 PolarHBondContact O-N 3.08Å; E333-K337 VanDerWaalsContact OE1-CE 3.27Å; E333-K337 WeakPolarHBondContact OE1-CE 2.98Å; E333-K337 IonicContact OE1-NZ 2.69Å; E333-K337 PolarHBondContact OE1-NZ 3.32Å
334Y94.1Very high92.4Very high37 Ų3734.9 Ų34.915%0.14520%0.198CC..Hα-helixtrans-73.4-28.2178.5-70.5-68.9000113.6A330 I331 E332 K337 A338 F513 I516 Q517 I520A330-Y334 WeakPolarHBondContact O-CD2 3.36Å; A330-Y334 PolarHBondContact O-N 3Å; I331-Y334 PolarHBondContact O-N 3.25Å; E332-Y334 PolarHBondContact O-N 3.49Å; Y334-K337 HydrophobicContact CD1-CD 4.25Å; Y334-A338 VanDerWaalsContact O-CB 3.27Å; Y334-A338 WeakPolarHBondContact O-CB 3.44Å; Y334-A338 PolarHBondContact O-N 3.03Å; Y334-F513 HydrophobicContact CD1-CB 4.39Å; Y334-F513 AromaticContact CD1-CD1 3.67Å; Y334-F513 HydrophobicContact CD1-CD1 3.67Å; Y334-F513 HydrophobicContact CD1-CE1 4.4Å; Y334-F513 HydrophobicContact CD1-CG 4.36Å; Y334-F513 HydrophobicContact CE1-CD1 4.22Å; Y334-I516 HydrophobicContact CD1-CB 4.47Å; Y334-I516 HydrophobicContact CD1-CD1 4.37Å; Y334-I516 HydrophobicContact CD1-CG2 4.18Å; Y334-I516 HydrophobicContact CD2-CG2 3.78Å; Y334-I516 HydrophobicContact CE1-CB 4.29Å; Y334-I516 HydrophobicContact CE1-CD1 3.74Å; Y334-I516 HydrophobicContact CE1-CG2 3.77Å; Y334-I516 HydrophobicContact CE2-CG2 3.38Å; Y334-I516 HydrophobicContact CG-CG2 4.19Å; Y334-Q517 HydrophobicContact CG-CG 4.32Å; Y334-I520 HydrophobicContact CD2-CD1 3.78Å; Y334-I520 HydrophobicContact CE2-CD1 3.52Å
335F93.3Very high92.3Very high0 Ų034.9 Ų34.90%020%0.199CC..Hα-helixtrans-66.3-41.5171-91.6-62.9000111.6L45 A49 I331 E332 A338 A339 Q517 W554 F742L45-F335 HydrophobicContact CB-CD1 4.15Å; L45-F335 HydrophobicContact CD2-CD1 3.85Å; L45-F335 HydrophobicContact CD2-CE1 3.78Å; A49-F335 HydrophobicContact CB-CB 3.55Å; A49-F335 HydrophobicContact CB-CD2 3.76Å; A49-F335 HydrophobicContact CB-CG 3.87Å; I331-F335 HydrophobicContact CG2-CD2 3.71Å; I331-F335 HydrophobicContact CG2-CE2 3.56Å; I331-F335 WeakPolarHBondContact O-CD2 3.48Å; I331-F335 PolarHBondContact O-N 2.97Å; E332-F335 WeakPolarHBondContact O-CB 3.37Å; E332-F335 PolarHBondContact O-N 3.43Å; F335-A338 PolarHBondContact O-N 3.32Å; F335-A339 WeakPolarHBondContact O-CB 3.43Å; F335-A339 PolarHBondContact O-N 2.77Å; F335-Q517 VanDerWaalsContact CD2-NE2 3.27Å; F335-Q517 VanDerWaalsContact CG-NE2 3.27Å; F335-W554 HydrophobicContact CE1-CH2 4.01Å; F335-W554 HydrophobicContact CE1-CZ2 4.13Å; F335-W554 AromaticContact CZ-CH2 3.95Å; F335-W554 HydrophobicContact CZ-CH2 3.95Å; F335-W554 HydrophobicContact CZ-CZ3 4.37Å; F335-F742 AromaticContact CE2-CE1 3.9Å; F335-F742 HydrophobicContact CE2-CE1 3.9Å; F335-F742 AromaticContact CE2-CZ 3.65Å; F335-F742 HydrophobicContact CE2-CZ 3.65Å; F335-F742 AromaticContact CZ-CE1 3.66Å; F335-F742 HydrophobicContact CZ-CE1 3.66Å; F335-F742 AromaticContact CZ-CZ 3.71Å; F335-F742 HydrophobicContact CZ-CZ 3.71Å
336V93.8Very high92.2Very high49 Ų4934.2 Ų34.230%0.29719%0.192SC..Hα-helixtrans-63.4-47.3177.1175.40000110E332 E333 A338 A339 E340E332-V336 WeakPolarHBondContact O-CG2 3.23Å; E332-V336 PolarHBondContact O-N 3.08Å; E333-V336 PolarHBondContact O-N 3.49Å; V336-A338 PolarHBondContact O-N 2.74Å; V336-A339 CarbonylContact O-C 3.6Å; V336-A339 PolarHBondContact O-N 3.02Å; V336-A339 VanDerWaalsContact O-N 3.13Å; V336-E340 WeakPolarHBondContact CG1-OE1 3.27Å; V336-E340 WeakPolarHBondContact O-CG 3.49Å; V336-E340 PolarHBondContact O-N 2.92Å
337K93.7Very high92Very high66 Ų6637.8 Ų37.829%0.28721%0.209SC..Hα-helixtrans-60.5-41.5175.4-70.3175.1-176.1170.20112.8E333 Y334 A339 E340 A341 F513E333-K337 WeakPolarHBondContact O-CG 3.35Å; E333-K337 PolarHBondContact O-N 3.08Å; E333-K337 VanDerWaalsContact OE1-CE 3.27Å; E333-K337 WeakPolarHBondContact OE1-CE 2.98Å; E333-K337 IonicContact OE1-NZ 2.69Å; E333-K337 PolarHBondContact OE1-NZ 3.32Å; Y334-K337 HydrophobicContact CD1-CD 4.25Å; K337-A339 VanDerWaalsContact C-N 3.32Å; K337-A339 PolarHBondContact O-N 3.38Å; K337-E340 PolarHBondContact O-N 3.33Å; K337-A341 PolarHBondContact O-N 3Å; K337-F513 HydrophobicContact CB-CD1 4.31Å; K337-F513 HydrophobicContact CB-CD2 4.11Å; K337-F513 HydrophobicContact CB-CE1 3.99Å; K337-F513 HydrophobicContact CB-CE2 3.78Å; K337-F513 HydrophobicContact CB-CG 4.36Å; K337-F513 HydrophobicContact CB-CZ 3.72Å; K337-F513 HydrophobicContact CD-CE1 4.1Å; K337-F513 HydrophobicContact CD-CZ 4.43Å
338A92.6Very high91.7Very high0 Ų040 Ų400%022%0.22CC..Hα-helixtrans-61.9-41.117400000111.8Y334 F335 V336 E340 A341 M510 F513Y334-A338 VanDerWaalsContact O-CB 3.27Å; Y334-A338 WeakPolarHBondContact O-CB 3.44Å; Y334-A338 PolarHBondContact O-N 3.03Å; F335-A338 PolarHBondContact O-N 3.32Å; V336-A338 PolarHBondContact O-N 2.74Å; A338-E340 VanDerWaalsContact C-N 3.32Å; A338-E340 PolarHBondContact O-N 3Å; A338-A341 PolarHBondContact O-N 3.2Å; A338-M510 HydrophobicContact CB-CG 4.2Å; A338-M510 HydrophobicContact CB-SD 4.39Å; A338-F513 HydrophobicContact CB-CB 4.22Å; A338-F513 HydrophobicContact CB-CD2 3.98Å
339A93Very high91.3Very high0 Ų040 Ų400%022%0.22CC..Hα-helixtrans-71.3-26177.600000113.1L42 L45 R46 F335 V336 K337L42-A339 HydrophobicContact CB-CB 4.47Å; L45-A339 HydrophobicContact CB-CB 4.22Å; L45-A339 HydrophobicContact CD1-CB 4.35Å; R46-A339 HydrophobicContact CG-CB 3.83Å; R46-A339 VanDerWaalsContact CZ-CB 3.41Å; R46-A339 VanDerWaalsContact NH2-C 3.32Å; R46-A339 PolarHBondContact NH2-O 3.46Å; R46-A339 VanDerWaalsContact NH2-O 3.12Å; F335-A339 WeakPolarHBondContact O-CB 3.43Å; F335-A339 PolarHBondContact O-N 2.77Å; V336-A339 CarbonylContact O-C 3.6Å; V336-A339 PolarHBondContact O-N 3.02Å; V336-A339 VanDerWaalsContact O-N 3.13Å; K337-A339 VanDerWaalsContact C-N 3.32Å; K337-A339 PolarHBondContact O-N 3.38Å
340E92.1Very high90.9Very high99 Ų9939 Ų3946%0.46321%0.206SC..Hα-helixtrans-76.7-34.5173.2-74.1170.7178.200112.6V336 K337 A338 G342 N343V336-E340 WeakPolarHBondContact CG1-OE1 3.27Å; V336-E340 WeakPolarHBondContact O-CG 3.49Å; V336-E340 PolarHBondContact O-N 2.92Å; K337-E340 PolarHBondContact O-N 3.33Å; A338-E340 VanDerWaalsContact C-N 3.32Å; A338-E340 PolarHBondContact O-N 3Å; E340-G342 PolarHBondContact O-N 2.84Å; E340-G342 VanDerWaalsContact O-N 3.14Å; E340-N343 VanDerWaalsContact O-CB 3.27Å; E340-N343 WeakPolarHBondContact O-CB 3.47Å; E340-N343 VanDerWaalsContact O-CG 3.31Å; E340-N343 PolarHBondContact O-N 2.96Å; E340-N343 PolarHBondContact O-ND2 3.07Å
341A91.3Very high89.4Confident28 Ų2838.4 Ų38.423%0.23120%0.202CC..Hα-helixtrans-59.1-25.2175.200000112.9K337 A338 F513K337-A341 PolarHBondContact O-N 3Å; A338-A341 PolarHBondContact O-N 3.2Å; A341-F513 HydrophobicContact CB-CE2 4.36Å
342G89.4Confident87.6Confident0 Ų042.6 Ų42.60%023%0.231CC..THydrogen-bonded Turntrans-81.1-5.5174.200000115.3H38 E340 G344 V345 S346 M506H38-G342 PolarHBondContact CE1-O 3.47Å; H38-G342 VanDerWaalsContact CE1-O 3.24Å; E340-G342 PolarHBondContact O-N 2.84Å; E340-G342 VanDerWaalsContact O-N 3.14Å; G342-G344 VanDerWaalsContact C-N 3.33Å; G342-G344 PolarHBondContact O-N 3.41Å; G342-V345 PolarHBondContact O-N 3.11Å; G342-S346 PolarHBondContact O-N 3.46Å; G342-S346 PolarHBondContact O-OG 3.26Å; G342-M506 VanDerWaalsContact CA-SD 3.52Å
343N89.4Confident86Confident70 Ų7046 Ų4637%0.37424%0.241SC..Hα-helixtrans-62.8-39.9-177.8-70.5-18.8000111.9E340 V345 S346 E347E340-N343 VanDerWaalsContact O-CB 3.27Å; E340-N343 WeakPolarHBondContact O-CB 3.47Å; E340-N343 VanDerWaalsContact O-CG 3.31Å; E340-N343 PolarHBondContact O-N 2.96Å; E340-N343 PolarHBondContact O-ND2 3.07Å; N343-V345 PolarHBondContact O-N 3.35Å; N343-S346 WeakPolarHBondContact O-CA 3.32Å; N343-S346 VanDerWaalsContact O-CB 3.32Å; N343-S346 WeakPolarHBondContact O-CB 3.45Å; N343-S346 PolarHBondContact O-N 3.04Å; N343-E347 PolarHBondContact O-N 2.88Å
344G88.1Confident84.3Confident38 Ų3841.3 Ų41.339%0.39222%0.22SC..Hα-helixtrans-62.4-38.717800000113.6G342 S346 E347 L348G342-G344 VanDerWaalsContact C-N 3.33Å; G342-G344 PolarHBondContact O-N 3.41Å; G344-S346 VanDerWaalsContact C-N 3.34Å; G344-E347 PolarHBondContact O-N 3.03Å; G344-L348 PolarHBondContact O-N 3.5Å
345V90.3Very high82.5Confident2 Ų242.1 Ų42.11%0.01223%0.225CC..Hα-helixtrans-69.3-35.7173.4176.80000110.9G342 N343 E347 L348 L349 L499 A502 L503 M506G342-V345 PolarHBondContact O-N 3.11Å; N343-V345 PolarHBondContact O-N 3.35Å; V345-E347 VanDerWaalsContact C-N 3.29Å; V345-E347 PolarHBondContact O-N 3.34Å; V345-L348 PolarHBondContact O-N 3.47Å; V345-L349 HydrophobicContact CG1-CD1 3.72Å; V345-L349 HydrophobicContact CG1-CG 4.12Å; V345-L349 WeakPolarHBondContact O-CB 3.42Å; V345-L349 WeakPolarHBondContact O-CG 3.48Å; V345-L349 PolarHBondContact O-N 3.21Å; V345-L499 HydrophobicContact CG1-CD1 4.43Å; V345-A502 HydrophobicContact CG2-CB 3.98Å; V345-L503 HydrophobicContact CG1-CD2 3.72Å; V345-L503 HydrophobicContact CG1-CG 4.24Å; V345-L503 HydrophobicContact CG2-CD2 4.18Å; V345-L503 HydrophobicContact CG2-CG 4.33Å; V345-M506 HydrophobicContact CB-SD 4.1Å; V345-M506 HydrophobicContact CG2-CB 3.92Å; V345-M506 HydrophobicContact CG2-CG 4.46Å; V345-M506 HydrophobicContact CG2-SD 3.85Å
346S89.2Confident80.3Confident20 Ų2047.7 Ų47.714%0.1425%0.254CS..Hα-helixtrans-64.3-34.4177-57.60000112.3H38 L42 G342 N343 G344 E350 A351H38-S346 PolarHBondContact CE1-OG 3.24Å; H38-S346 VanDerWaalsContact CE1-OG 3.25Å; H38-S346 PolarHBondContact ND1-OG 3.38Å; L42-S346 WeakPolarHBondContact CD1-OG 3.44Å; G342-S346 PolarHBondContact O-N 3.46Å; G342-S346 PolarHBondContact O-OG 3.26Å; N343-S346 WeakPolarHBondContact O-CA 3.32Å; N343-S346 VanDerWaalsContact O-CB 3.32Å; N343-S346 WeakPolarHBondContact O-CB 3.45Å; N343-S346 PolarHBondContact O-N 3.04Å; G344-S346 VanDerWaalsContact C-N 3.34Å; S346-E350 PolarHBondContact O-N 3.43Å; S346-E350 VanDerWaalsContact O-N 3.13Å; S346-A351 WeakPolarHBondContact O-CB 3.49Å; S346-A351 PolarHBondContact O-N 3.48Å
347E87Confident78.7Confident153 Ų15348.2 Ų48.272%0.71526%0.255SS*.Hα-helixtrans-67.5-49.3173.2-71.4175.1-175.300111.3N343 G344 V345 L349 E350N343-E347 PolarHBondContact O-N 2.88Å; G344-E347 PolarHBondContact O-N 3.03Å; V345-E347 VanDerWaalsContact C-N 3.29Å; V345-E347 PolarHBondContact O-N 3.34Å; E347-L349 VanDerWaalsContact C-N 3.31Å; E347-L349 PolarHBondContact O-N 3.13Å; E347-E350 PolarHBondContact O-N 3.47Å
348L85.3Confident77.3Confident46 Ų4648.7 Ų48.724%0.24126%0.255CS..Hα-helixtrans-63.1-35.2178.2-70.2171.9000113.3G344 V345 E350 E498 L499 A502G344-L348 PolarHBondContact O-N 3.5Å; V345-L348 PolarHBondContact O-N 3.47Å; L348-E350 VanDerWaalsContact C-N 3.29Å; L348-E498 HydrophobicContact CD1-CG 4.22Å; L348-E498 HydrophobicContact CD2-CG 4.26Å; L348-L499 HydrophobicContact CB-CD1 4.32Å; L348-A502 HydrophobicContact CD1-CB 3.34Å
349L86.5Confident75.8Confident1 Ų152.2 Ų52.21%0.00527%0.274CS..THydrogen-bonded Turntrans-83.2-1.1174.8-68.9179.2000113.1R31 L34 A35 H38 V345 E347 A351 L499R31-L349 PolarHBondContact NH1-O 2.84Å; R31-L349 PolarHBondContact NH2-O 3.44Å; L34-L349 HydrophobicContact CD2-CD1 4.37Å; L34-L349 HydrophobicContact CD2-CD2 4.23Å; L34-L349 HydrophobicContact CG-CD1 4.03Å; A35-L349 HydrophobicContact CB-CB 3.97Å; A35-L349 WeakPolarHBondContact CB-O 3.36Å; H38-L349 HydrophobicContact CB-CD1 4.26Å; V345-L349 HydrophobicContact CG1-CD1 3.72Å; V345-L349 HydrophobicContact CG1-CG 4.12Å; V345-L349 WeakPolarHBondContact O-CB 3.42Å; V345-L349 WeakPolarHBondContact O-CG 3.48Å; V345-L349 PolarHBondContact O-N 3.21Å; E347-L349 VanDerWaalsContact C-N 3.31Å; E347-L349 PolarHBondContact O-N 3.13Å; L349-A351 PolarHBondContact O-N 3.11Å; L349-L499 HydrophobicContact CD2-CD1 3.85Å; L349-L499 HydrophobicContact CD2-CD2 4.09Å; L349-L499 HydrophobicContact CG-CD1 4.07Å
350E84Confident74Confident29 Ų2957.4 Ų57.414%0.13630%0.297CS..THydrogen-bonded Turntrans48.644.1-175.1-59.7161.8-134.600111.9S346 E347 L348 S352 R353 A354 S407 H408 G409S346-E350 PolarHBondContact O-N 3.43Å; S346-E350 VanDerWaalsContact O-N 3.13Å; E347-E350 PolarHBondContact O-N 3.47Å; L348-E350 VanDerWaalsContact C-N 3.29Å; E350-S352 PolarHBondContact O-N 3.11Å; E350-R353 HydrophobicContact CB-CB 4.39Å; E350-R353 PolarHBondContact O-N 3.44Å; E350-A354 PolarHBondContact O-N 3.47Å; E350-A354 VanDerWaalsContact O-N 3.14Å; E350-S407 WeakPolarHBondContact OE1-CB 3.45Å; E350-S407 PolarHBondContact OE1-OG 2.96Å; E350-H408 PolarHBondContact OE1-N 3.02Å; E350-G409 WeakPolarHBondContact OE1-CA 3.4Å; E350-G409 PolarHBondContact OE1-N 2.99Å
351A61.1Low72.8Confident3 Ų359.4 Ų59.43%0.02530%0.3CS..Hα-helixtrans-61.6-28.4-171.400000112.7A35 A39 S346 L349 A354 Q355A35-A351 HydrophobicContact CB-CB 4.42Å; A35-A351 WeakPolarHBondContact O-CB 3.38Å; A39-A351 HydrophobicContact CB-CB 4.21Å; S346-A351 WeakPolarHBondContact O-CB 3.49Å; S346-A351 PolarHBondContact O-N 3.48Å; L349-A351 PolarHBondContact O-N 3.11Å; A351-A354 PolarHBondContact O-N 3.48Å; A351-Q355 VanDerWaalsContact O-CB 3.23Å; A351-Q355 WeakPolarHBondContact O-CB 3.39Å; A351-Q355 PolarHBondContact O-N 2.69Å
352S57.2Low71.5Confident88 Ų8862.1 Ų62.162%0.61531%0.308SS*.Hα-helixtrans-60.9-45.717357.90000112.1E350 Q355 L356E350-S352 PolarHBondContact O-N 3.11Å; S352-Q355 PolarHBondContact O-N 2.81Å; S352-L356 WeakPolarHBondContact O-CG 3.46Å; S352-L356 PolarHBondContact O-N 2.57Å
353R59.8Low69.9Low135 Ų13567 Ų6751%0.50933%0.334SS..Hα-helixtrans-66.8-44.4177.8-172.4174.6177.1160.2-2.4111.2E350 Q355 L356 D357E350-R353 HydrophobicContact CB-CB 4.39Å; E350-R353 PolarHBondContact O-N 3.44Å; R353-Q355 VanDerWaalsContact C-N 3.34Å; R353-Q355 PolarHBondContact O-N 2.92Å; R353-L356 PolarHBondContact O-N 2.8Å; R353-D357 PolarHBondContact O-N 3.42Å
354A58.1Low68.5Low4 Ų468.4 Ų68.43%0.03334%0.337CS..Hα-helixtrans-64.1-37.9177.800000112.8A35 E350 A351 D357 R358A35-A354 HydrophobicContact CB-CB 3.58Å; E350-A354 PolarHBondContact O-N 3.47Å; E350-A354 VanDerWaalsContact O-N 3.14Å; A351-A354 PolarHBondContact O-N 3.48Å; A354-D357 PolarHBondContact O-N 2.78Å; A354-R358 WeakPolarHBondContact O-CB 3.4Å; A354-R358 PolarHBondContact O-N 3.17Å
355Q56.7Low67.2Low53 Ų5373.7 Ų73.725%0.24835%0.349CS..Hα-helixtrans-67.2-41175.4-171.5-176-64.300111.5A351 S352 R353 R358 N359A351-Q355 VanDerWaalsContact O-CB 3.23Å; A351-Q355 WeakPolarHBondContact O-CB 3.39Å; A351-Q355 PolarHBondContact O-N 2.69Å; S352-Q355 PolarHBondContact O-N 2.81Å; R353-Q355 VanDerWaalsContact C-N 3.34Å; R353-Q355 PolarHBondContact O-N 2.92Å; Q355-R358 PolarHBondContact O-N 3.45Å; Q355-N359 VanDerWaalsContact O-CB 3.25Å; Q355-N359 WeakPolarHBondContact O-CB 3.48Å; Q355-N359 PolarHBondContact O-N 2.77Å; Q355-N359 PolarHBondContact O-ND2 3.22Å; Q355-N359 PolarHBondContact O-OD1 2.78Å
356L47.3Very low65.7Low118 Ų11877.3 Ų77.362%0.61837%0.371SS*.Hα-helixtrans-62.8-44.5173.8-72.9169.3000111.6S352 R353 R358 N359 F360S352-L356 WeakPolarHBondContact O-CG 3.46Å; S352-L356 PolarHBondContact O-N 2.57Å; R353-L356 PolarHBondContact O-N 2.8Å; L356-R358 PolarHBondContact O-N 3.03Å; L356-N359 PolarHBondContact O-N 3.15Å; L356-F360 VanDerWaalsContact O-CB 3.26Å; L356-F360 WeakPolarHBondContact O-CB 3.41Å; L356-F360 PolarHBondContact O-N 3.44Å
357D60.2Low63.9Low60 Ų6079.9 Ų79.932%0.32139%0.386SS..Hα-helixtrans-62.7-42176.8-79.6-20.2000112R353 A354 F360 R361R353-D357 PolarHBondContact O-N 3.42Å; A354-D357 PolarHBondContact O-N 2.78Å; D357-F360 PolarHBondContact O-N 2.76Å; D357-R361 WeakPolarHBondContact O-CB 3.44Å; D357-R361 VanDerWaalsContact O-CG 3.25Å; D357-R361 WeakPolarHBondContact O-CG 3.49Å; D357-R361 PolarHBondContact O-N 3.44Å
358R65.5Low62.3Low75 Ų7580.5 Ų80.528%0.28338%0.383SS..Hα-helixtrans-65.9-46.7175-179.6177.3169.4-167.5-11.4111.2S36 D40 A354 Q355 L356 F360 R361 Q362S36-R358 WeakPolarHBondContact OG-CD 3.42Å; S36-R358 PolarHBondContact OG-NH1 2.89Å; D40-R358 IonicContact OD2-CZ 2.65Å; D40-R358 IonicContact OD2-NH1 3.24Å; D40-R358 PolarHBondContact OD2-NH1 3.37Å; D40-R358 IonicContact OD2-NH2 2.85Å; A354-R358 WeakPolarHBondContact O-CB 3.4Å; A354-R358 PolarHBondContact O-N 3.17Å; Q355-R358 PolarHBondContact O-N 3.45Å; L356-R358 PolarHBondContact O-N 3.03Å; R358-F360 VanDerWaalsContact C-N 3.26Å; R358-F360 PolarHBondContact O-N 3.2Å; R358-R361 PolarHBondContact O-N 2.98Å; R358-Q362 HydrophobicContact CG-CG 4.25Å; R358-Q362 WeakPolarHBondContact O-CB 3.09Å; R358-Q362 WeakPolarHBondContact O-CG 3.5Å; R358-Q362 PolarHBondContact O-N 3.24Å
359N60.2Low60.7Low75 Ų7586.1 Ų86.140%0.40141%0.407SS..Hα-helixtrans-58.7-41.7177.1-73-8.8000110.3Q355 L356 Q362 L363Q355-N359 VanDerWaalsContact O-CB 3.25Å; Q355-N359 WeakPolarHBondContact O-CB 3.48Å; Q355-N359 PolarHBondContact O-N 2.77Å; Q355-N359 PolarHBondContact O-ND2 3.22Å; Q355-N359 PolarHBondContact O-OD1 2.78Å; L356-N359 PolarHBondContact O-N 3.15Å; N359-Q362 PolarHBondContact O-N 3.39Å; N359-L363 VanDerWaalsContact O-CB 3.24Å; N359-L363 WeakPolarHBondContact O-CB 3.24Å; N359-L363 PolarHBondContact O-N 2.87Å
360F55.7Low58.7Low109 Ų10988.1 Ų88.148%0.47842%0.421SS..Hα-helixtrans-69.2-37.7176.7-172.9-115.1000112.8L356 D357 R358 L363 K364L356-F360 VanDerWaalsContact O-CB 3.26Å; L356-F360 WeakPolarHBondContact O-CB 3.41Å; L356-F360 PolarHBondContact O-N 3.44Å; D357-F360 PolarHBondContact O-N 2.76Å; R358-F360 VanDerWaalsContact C-N 3.26Å; R358-F360 PolarHBondContact O-N 3.2Å; F360-L363 PolarHBondContact O-N 2.85Å; F360-K364 HydrophobicContact CD1-CD 4.22Å; F360-K364 HydrophobicContact CE1-CD 4.01Å; F360-K364 VanDerWaalsContact CE1-NZ 3.26Å; F360-K364 HydrophobicContact CZ-CD 4.48Å; F360-K364 VanDerWaalsContact CZ-CE 3.48Å; F360-K364 WeakPolarHBondContact O-CB 3.47Å; F360-K364 WeakPolarHBondContact O-CG 3.44Å; F360-K364 PolarHBondContact O-N 3.49Å
361R66.1Low56.6Low140 Ų14092.4 Ų92.453%0.52845%0.445SS..Hα-helixtrans-68.5-39.2173-73.6179.3-156.2-147.614.6112.2D357 R358 K364 K365D357-R361 WeakPolarHBondContact O-CB 3.44Å; D357-R361 VanDerWaalsContact O-CG 3.25Å; D357-R361 WeakPolarHBondContact O-CG 3.49Å; D357-R361 PolarHBondContact O-N 3.44Å; R358-R361 PolarHBondContact O-N 2.98Å; R361-K364 PolarHBondContact O-N 3.4Å; R361-K365 WeakPolarHBondContact O-CG 3.25Å; R361-K365 PolarHBondContact O-N 3.29Å
362Q65Low55.8Low86 Ų8697 Ų9740%0.40248%0.477SS..Hα-helixtrans-65.2-43.1173-75.5179.2-25.400110.2R358 N359 K364 K365 T366R358-Q362 HydrophobicContact CG-CG 4.25Å; R358-Q362 WeakPolarHBondContact O-CB 3.09Å; R358-Q362 WeakPolarHBondContact O-CG 3.5Å; R358-Q362 PolarHBondContact O-N 3.24Å; N359-Q362 PolarHBondContact O-N 3.39Å; Q362-K364 VanDerWaalsContact C-N 3.32Å; Q362-K364 PolarHBondContact O-N 3.31Å; Q362-K365 CarbonylContact O-C 3.59Å; Q362-K365 PolarHBondContact O-N 3.5Å; Q362-T366 WeakPolarHBondContact O-CG2 3.21Å; Q362-T366 PolarHBondContact O-N 3Å; Q362-T366 PolarHBondContact O-OG1 3.19Å
363L55.7Low55.4Low103 Ų10399.9 Ų99.954%0.53949%0.485SS..Hα-helixtrans-61-41.2173.7-155.790.6000111N359 F360 T366 V367N359-L363 VanDerWaalsContact O-CB 3.24Å; N359-L363 WeakPolarHBondContact O-CB 3.24Å; N359-L363 PolarHBondContact O-N 2.87Å; F360-L363 PolarHBondContact O-N 2.85Å; L363-T366 WeakPolarHBondContact CA-OG1 3.2Å; L363-T366 PolarHBondContact O-N 3.42Å; L363-T366 PolarHBondContact O-OG1 3.42Å; L363-V367 HydrophobicContact CG-CG2 4.39Å; L363-V367 VanDerWaalsContact O-CB 3.23Å; L363-V367 WeakPolarHBondContact O-CB 3.32Å; L363-V367 WeakPolarHBondContact O-CG2 3.21Å; L363-V367 PolarHBondContact O-N 3Å
364K60.5Low54.8Low99 Ų9997.8 Ų97.843%0.4348%0.483SS..Hα-helixtrans-60.3-49.8172.3-79.9177.6169.8177.70110.9F360 R361 Q362 T366 V367 Y368F360-K364 HydrophobicContact CD1-CD 4.22Å; F360-K364 HydrophobicContact CE1-CD 4.01Å; F360-K364 VanDerWaalsContact CE1-NZ 3.26Å; F360-K364 HydrophobicContact CZ-CD 4.48Å; F360-K364 VanDerWaalsContact CZ-CE 3.48Å; F360-K364 WeakPolarHBondContact O-CB 3.47Å; F360-K364 WeakPolarHBondContact O-CG 3.44Å; F360-K364 PolarHBondContact O-N 3.49Å; R361-K364 PolarHBondContact O-N 3.4Å; Q362-K364 VanDerWaalsContact C-N 3.32Å; Q362-K364 PolarHBondContact O-N 3.31Å; K364-T366 VanDerWaalsContact C-N 3.35Å; K364-T366 PolarHBondContact O-N 2.99Å; K364-V367 PolarHBondContact O-N 3.01Å; K364-Y368 HydrophobicContact CB-CD2 4.37Å; K364-Y368 HydrophobicContact CB-CE2 4.27Å; K364-Y368 WeakPolarHBondContact O-CD2 3.34Å; K364-Y368 PolarHBondContact O-N 3.19Å
365K59.2Low54.1Low149 Ų149102.1 Ų102.165%0.64851%0.514SS*.Hα-helixtrans-60.8-41.2177.7-74.9-173.2177.1-168.30112.3R361 Q362 H369R361-K365 WeakPolarHBondContact O-CG 3.25Å; R361-K365 PolarHBondContact O-N 3.29Å; Q362-K365 CarbonylContact O-C 3.59Å; Q362-K365 PolarHBondContact O-N 3.5Å; K365-H369 WeakPolarHBondContact O-CB 3.26Å; K365-H369 PolarHBondContact O-CD2 3.01Å; K365-H369 PolarHBondContact O-N 3.49Å; K365-H369 VanDerWaalsContact O-N 3.14Å
366T60Low53.7Low78 Ų78104.5 Ų104.548%0.47954%0.536SS..Hα-helixtrans-70-40.8176.955.90000111.2Q362 L363 K364 Y368 H369 S370Q362-T366 WeakPolarHBondContact O-CG2 3.21Å; Q362-T366 PolarHBondContact O-N 3Å; Q362-T366 PolarHBondContact O-OG1 3.19Å; L363-T366 WeakPolarHBondContact CA-OG1 3.2Å; L363-T366 PolarHBondContact O-N 3.42Å; L363-T366 PolarHBondContact O-OG1 3.42Å; K364-T366 VanDerWaalsContact C-N 3.35Å; K364-T366 PolarHBondContact O-N 2.99Å; T366-Y368 PolarHBondContact O-N 3.21Å; T366-H369 CarbonylContact O-C 3.57Å; T366-H369 PolarHBondContact O-N 3.43Å; T366-S370 WeakPolarHBondContact O-CB 3.42Å; T366-S370 PolarHBondContact O-N 2.83Å; T366-S370 PolarHBondContact O-OG 2.88Å
367V51.6Low53.7Low74 Ų74105.1 Ų105.145%0.44854%0.539SS..Hα-helixtrans-63.7-39176.2170.50000111.5L363 K364 H369 N371L363-V367 HydrophobicContact CG-CG2 4.39Å; L363-V367 VanDerWaalsContact O-CB 3.23Å; L363-V367 WeakPolarHBondContact O-CB 3.32Å; L363-V367 WeakPolarHBondContact O-CG2 3.21Å; L363-V367 PolarHBondContact O-N 3Å; K364-V367 PolarHBondContact O-N 3.01Å; V367-H369 VanDerWaalsContact C-N 3.32Å; V367-H369 PolarHBondContact O-N 2.9Å; V367-N371 PolarHBondContact O-OD1 3.12Å
368Y52.9Low52.8Low165 Ų165106.1 Ų106.165%0.64755%0.551SS**Hα-helixtrans-74.3-17.2175.4-71.3-65.3000114.1K364 T366K364-Y368 HydrophobicContact CB-CD2 4.37Å; K364-Y368 HydrophobicContact CB-CE2 4.27Å; K364-Y368 WeakPolarHBondContact O-CD2 3.34Å; K364-Y368 PolarHBondContact O-N 3.19Å; T366-Y368 PolarHBondContact O-N 3.21Å
369H50.9Low51.7Low164 Ų164108 Ų10876%0.75958%0.575SS**Hα-helixtrans-109.4-7.5178.9-63.3-20.4000114.7K365 T366 V367K365-H369 WeakPolarHBondContact O-CB 3.26Å; K365-H369 PolarHBondContact O-CD2 3.01Å; K365-H369 PolarHBondContact O-N 3.49Å; K365-H369 VanDerWaalsContact O-N 3.14Å; T366-H369 CarbonylContact O-C 3.57Å; T366-H369 PolarHBondContact O-N 3.43Å; V367-H369 VanDerWaalsContact C-N 3.32Å; V367-H369 PolarHBondContact O-N 2.9Å
370S45.3Very low51Low43 Ų43110.6 Ų110.630%0.30159%0.594SS.*  trans-106.214.6-179.958.60000114.3T366 S372 L373T366-S370 WeakPolarHBondContact O-CB 3.42Å; T366-S370 PolarHBondContact O-N 2.83Å; T366-S370 PolarHBondContact O-OG 2.88Å; S370-S372 PolarHBondContact O-N 3.07Å; S370-L373 PolarHBondContact O-N 2.78Å
371N39.9Very low50.2Low119 Ų119117.1 Ų117.164%0.63662%0.616SS**THydrogen-bonded Turntrans-61.5-2.1178-85.3-11.2000115.3V367V367-N371 PolarHBondContact O-OD1 3.12Å
372S44.9Very low48.9Very low99 Ų99116.6 Ų116.669%0.69263%0.628SS**THydrogen-bonded Turntrans-93.8-12.8174.8840000115.5S370S370-S372 PolarHBondContact O-N 3.07Å
373L47.5Very low47.8Very low150 Ų150117.3 Ų117.379%0.78564%0.643SS**THydrogen-bonded Turntrans-117.7-4.5-176.9-67.6177.3000115.1S370S370-L373 PolarHBondContact O-N 2.78Å
374L47.2Very low47Very low90 Ų90121.7 Ų121.747%0.47166%0.658SS.*SBendtrans-112.211.3178.1-67.1174.3000113.8S376 L377 S378L374-S376 PolarHBondContact O-N 3.07Å; L374-L377 PolarHBondContact O-N 3.47Å; L374-S378 PolarHBondContact O-OG 2.85Å
375S44.3Very low46Very low96 Ų96122.8 Ų122.867%0.67168%0.675SS**THydrogen-bonded Turntrans-63.7-18.2177.454.10000113.8
376S47.2Very low44.9Very low103 Ų103121.1 Ų121.172%0.7268%0.679SS**THydrogen-bonded Turntrans-85.2-8.3177.368.50000115.2L374L374-S376 PolarHBondContact O-N 3.07Å
377L47.1Very low43.9Very low131 Ų131125 Ų12569%0.68670%0.696SS**SBendtrans-122.44.8-174.8-63.4176000114.3L374L374-L377 PolarHBondContact O-N 3.47Å
378S41.4Very low43.1Very low81 Ų81126 Ų12657%0.56671%0.712SS**  trans-98.115.7-164.7-62.30000115.6L374 T380L374-S378 PolarHBondContact O-OG 2.85Å; S378-T380 PolarHBondContact O-N 3.32Å; S378-T380 VanDerWaalsContact O-N 3.11Å
379S43.5Very low42.2Very low113 Ų113122.8 Ų122.879%0.7971%0.709SS**THydrogen-bonded Turntrans-77.913.8-175600000116.2
380T46.1Very low41.2Very low131 Ų131125.8 Ų125.880%0.80471%0.714SS**THydrogen-bonded Turntrans-1368.3-177.122.70000116S378S378-T380 PolarHBondContact O-N 3.32Å; S378-T380 VanDerWaalsContact O-N 3.11Å
381W38.7Very low40.8Very low246 Ų246132.5 Ų132.593%0.93273%0.734SS**  trans-107.168.7177.6-138.4-29.4000112.5
382T37.4Very low40.6Very low128 Ų128136.3 Ų136.379%0.78575%0.745SS**  trans-105.3102.9168.372.10000109.4
383S42.1Very low40.1Very low102 Ų102135 Ų13571%0.71373%0.73SS**SBendtrans164.9111.714059.10000110
384K39.5Very low39.7Very low195 Ų195133.3 Ų133.385%0.84872%0.721SS**  trans23.4112151.4-61.4175.9-179.5174.10116.1P386K384-P386 WeakPolarHBondContact O-CD 3.47Å
385P39.7Very low39.9Very low122 Ų122131.5 Ų131.579%0.79271%0.714SS**  trans-61.9125.2165.626.9-29.2000108
386P36Very low40.1Very low113 Ų113132.4 Ų132.473%0.73471%0.712SS**SBendtrans-67.5162.8164.832.3-30.6000107.3K384K384-P386 WeakPolarHBondContact O-CD 3.47Å
387L39.7Very low40.2Very low161 Ų161129.8 Ų129.884%0.84370%0.696SS**  trans9547.6-176.3-44.6179000115.5V389L387-V389 VanDerWaalsContact C-N 3.34Å; L387-V389 PolarHBondContact O-N 3Å
388A33.5Very low40.4Very low93 Ų93124.5 Ų124.577%0.76967%0.668SS**  trans-83.587.1138.200000107.3R390A388-R390 PolarHBondContact O-N 3.43Å
389V35Very low40.8Very low99 Ų99126 Ų12660%0.667%0.667SS**  trans-68.392.2167.7176.80000106.5L387 Y391L387-V389 VanDerWaalsContact C-N 3.34Å; L387-V389 PolarHBondContact O-N 3Å; V389-Y391 PolarHBondContact O-N 3.29Å; V389-Y391 VanDerWaalsContact O-N 3.13Å
390R29.9Very low40.9Very low226 Ų226128.4 Ų128.485%0.85367%0.667SS**  trans-61.4111.7162.5-72.1-175.7173179.1-3.4106.1A388 K392A388-R390 PolarHBondContact O-N 3.43Å; R390-K392 PolarHBondContact O-N 2.7Å
391Y36.7Very low40.9Very low185 Ų185128.6 Ų128.673%0.72566%0.659SS**  trans-64.879.4174.7-76.4-87.9000110V389V389-Y391 PolarHBondContact O-N 3.29Å; V389-Y391 VanDerWaalsContact O-N 3.13Å
392K34.3Very low41.2Very low198 Ų198120 Ų12086%0.86164%0.636SS**  trans-87.898.2152.2-91.9-170.9172.7-176.40106.3R390 D394R390-K392 PolarHBondContact O-N 2.7Å; K392-D394 PolarHBondContact O-N 3.3Å
393L35.8Very low41.3Very low73 Ų73122.4 Ų122.438%0.38264%0.641SS.*  trans-7290.5179.3-173.270.6000109T395 L398 A417 K421L393-T395 PolarHBondContact O-N 2.92Å; L393-L398 HydrophobicContact CD1-CD1 3.88Å; L393-L398 HydrophobicContact CG-CD1 4.46Å; L393-A417 HydrophobicContact CD1-CB 4.26Å; L393-K421 HydrophobicContact CD2-CB 3.82Å; L393-K421 HydrophobicContact CD2-CD 3.82Å; L393-K421 HydrophobicContact CD2-CG 4.13Å
394D39.3Very low41.1Very low113 Ų113126.1 Ų126.160%0.60465%0.647SS**  trans-80.3114.7174.2-130.2-23.4000109.2K392 N396 A397K392-D394 PolarHBondContact O-N 3.3Å; D394-N396 PolarHBondContact O-N 3.39Å; D394-N396 VanDerWaalsContact O-N 3.17Å; D394-A397 HydrophobicContact CB-CB 4.17Å; D394-A397 WeakPolarHBondContact O-CB 3.25Å; D394-A397 PolarHBondContact O-N 2.91Å
395T51.3Low41.6Very low52 Ų52120.1 Ų120.132%0.31964%0.64SS.*Hα-helixtrans-62.8-26.7-173.7-44.80000111.5L393 W418 K421L393-T395 PolarHBondContact O-N 2.92Å; T395-W418 HydrophobicContact CG2-CH2 3.94Å; T395-W418 HydrophobicContact CG2-CZ3 4.43Å; T395-K421 PolarHBondContact OG1-NZ 3.43Å
396N47.3Very low42.8Very low116 Ų116119.4 Ų119.462%0.6263%0.625SS**Hα-helixtrans-75.9-27.8177-67.5-0.8000112.9D394 L398 E399 M400D394-N396 PolarHBondContact O-N 3.39Å; D394-N396 VanDerWaalsContact O-N 3.17Å; N396-L398 VanDerWaalsContact C-N 3.33Å; N396-E399 PolarHBondContact O-N 3.2Å; N396-M400 PolarHBondContact O-N 3.31Å
397A49.4Very low45.1Very low48 Ų48115.8 Ų115.840%0.39760%0.602SS.*Hα-helixtrans-67.5-37.6177.300000111.1D394 E399 M400 E401D394-A397 HydrophobicContact CB-CB 4.17Å; D394-A397 WeakPolarHBondContact O-CB 3.25Å; D394-A397 PolarHBondContact O-N 2.91Å; A397-E399 VanDerWaalsContact C-N 3.28Å; A397-E399 PolarHBondContact O-N 3.35Å; A397-M400 PolarHBondContact O-N 3Å; A397-E401 WeakPolarHBondContact O-CG 3.4Å; A397-E401 PolarHBondContact O-N 2.87Å
398L51Low47.5Very low19 Ų19108.9 Ų108.910%0.09957%0.566CS.*Hα-helixtrans-64.7-28.9175.9-81.1169.4000113.7L393 N396 R414 W418L393-L398 HydrophobicContact CD1-CD1 3.88Å; L393-L398 HydrophobicContact CG-CD1 4.46Å; N396-L398 VanDerWaalsContact C-N 3.33Å; L398-R414 HydrophobicContact CD2-CB 4.48Å; L398-R414 HydrophobicContact CD2-CG 3.75Å; L398-R414 PolarHBondContact O-NH1 3.4Å; L398-W418 HydrophobicContact CB-CZ2 4.22Å; L398-W418 HydrophobicContact CD1-CD2 4.33Å; L398-W418 HydrophobicContact CD1-CH2 4.34Å; L398-W418 HydrophobicContact CD1-CZ2 3.91Å
399E50.9Low50.2Low113 Ų113104.6 Ų104.653%0.52853%0.531SS..Hα-helixtrans-85.6-34.6176.6-66.6-164.3154.700112.2N396 A397 S402N396-E399 PolarHBondContact O-N 3.2Å; A397-E399 VanDerWaalsContact C-N 3.28Å; A397-E399 PolarHBondContact O-N 3.35Å; E399-S402 VanDerWaalsContact O-CB 3.27Å; E399-S402 WeakPolarHBondContact O-CB 3.48Å; E399-S402 PolarHBondContact O-N 3.45Å; E399-S402 PolarHBondContact O-OG 2.89Å
400M45.8Very low52.7Low164 Ų164101.8 Ų101.881%0.80852%0.515SS*.Hα-helixtrans-74-30.4175.8-90.2-172.16800113.9N396 A397 S402N396-M400 PolarHBondContact O-N 3.31Å; A397-M400 PolarHBondContact O-N 3Å; M400-S402 PolarHBondContact O-N 2.87Å; M400-S402 VanDerWaalsContact O-N 3.11Å
401E46Very low55.7Low135 Ų13591 Ų9163%0.63148%0.475SS*.G310 helixtrans-68.4-3.5173-78.3-179.5171.300113.4A397 M403A397-E401 WeakPolarHBondContact O-CG 3.4Å; A397-E401 PolarHBondContact O-N 2.87Å; E401-M403 PolarHBondContact O-N 3.46Å; E401-M403 VanDerWaalsContact O-N 3.11Å
402S45Very low58.4Low65 Ų6582.2 Ų82.246%0.45544%0.441SS..G310 helixtrans-67.7-5.4176.868.20000114.9E399 M400E399-S402 VanDerWaalsContact O-CB 3.27Å; E399-S402 WeakPolarHBondContact O-CB 3.48Å; E399-S402 PolarHBondContact O-N 3.45Å; E399-S402 PolarHBondContact O-OG 2.89Å; M400-S402 PolarHBondContact O-N 2.87Å; M400-S402 VanDerWaalsContact O-N 3.11Å
403M39Very low61.2Low179 Ų17977 Ų7788%0.88242%0.419SS*.G310 helixtrans-100.6-11.6-174.6-128.5-171.7-171.700115.7E401E401-M403 PolarHBondContact O-N 3.46Å; E401-M403 VanDerWaalsContact O-N 3.11Å
404E37.2Very low63.9Low179 Ų17974.8 Ų74.884%0.83641%0.406SS*.SBendtrans-110.5107.9176.3-88.3176.3156.600110.8
405G50.8Low66.5Low69 Ų6969.4 Ų69.471%0.71138%0.377SS*.  trans28.697.1166.700000117.5S407G405-S407 PolarHBondContact O-N 3.02Å
406K65.3Low68.6Low108 Ų10868 Ų6847%0.4737%0.367SS..  trans-63.775.7178.7-58.6-177.5-175.1-160.80112.6E491 Q495K406-E491 HydrophobicContact CD-CG 4.05Å; K406-E491 VanDerWaalsContact CE-OE1 3.32Å; K406-E491 WeakPolarHBondContact CE-OE1 3.39Å; K406-E491 IonicContact NZ-OE1 3.94Å; K406-E491 PolarHBondContact NZ-OE1 3.32Å; K406-Q495 PolarHBondContact O-NE2 2.92Å
407S84.7Confident70.8Confident37 Ų3763.4 Ų63.426%0.25935%0.346SS..  trans-68.9144.5175.372.90000110E350 G405 G409 S410 T411E350-S407 WeakPolarHBondContact OE1-CB 3.45Å; E350-S407 PolarHBondContact OE1-OG 2.96Å; G405-S407 PolarHBondContact O-N 3.02Å; S407-G409 VanDerWaalsContact C-N 3.25Å; S407-G409 PolarHBondContact O-N 2.9Å; S407-S410 PolarHBondContact N-OG 2.8Å; S407-S410 PolarHBondContact O-N 3.27Å; S407-S410 VanDerWaalsContact O-N 3.11Å; S407-S410 PolarHBondContact O-OG 3.47Å; S407-S410 WeakPolarHBondContact OG-CB 3.5Å; S407-S410 PolarHBondContact OG-N 2.94Å; S407-S410 PolarHBondContact OG-OG 2.91Å; S407-T411 PolarHBondContact O-N 3.26Å; S407-T411 VanDerWaalsContact O-N 3.09Å; S407-T411 PolarHBondContact O-OG1 3.36Å
408H89.3Confident73Confident15 Ų1562 Ų627%0.06933%0.33CS..Hα-helixtrans-61.5-35.5-175.1-175.754.4000112.6E350 T411 L412 Q495 Y568E350-H408 PolarHBondContact OE1-N 3.02Å; H408-T411 PolarHBondContact O-N 3.32Å; H408-L412 WeakPolarHBondContact O-CG 3.36Å; H408-L412 PolarHBondContact O-N 3.47Å; H408-Q495 PolarHBondContact ND1-OE1 3.13Å; H408-Y568 PolarHBondContact CE1-OH 2.9Å; H408-Y568 AromaticContact NE2-CZ 3.65Å; H408-Y568 PolarHBondContact NE2-OH 3.29Å
409G89.3Confident75.1Confident4 Ų461 Ų614%0.04133%0.325CS..Hα-helixtrans-61-48.1172.100000112.4E350 S407 T411 L412 E413E350-G409 WeakPolarHBondContact OE1-CA 3.4Å; E350-G409 PolarHBondContact OE1-N 2.99Å; S407-G409 VanDerWaalsContact C-N 3.25Å; S407-G409 PolarHBondContact O-N 2.9Å; G409-T411 VanDerWaalsContact C-N 3.33Å; G409-T411 PolarHBondContact O-N 3.12Å; G409-L412 PolarHBondContact O-N 3.32Å; G409-E413 WeakPolarHBondContact O-CG 3.43Å; G409-E413 PolarHBondContact O-N 3.03Å
410S88.1Confident77.2Confident39 Ų3959.6 Ų59.627%0.27332%0.317SS..Hα-helixtrans-62-37.5178.969.90000113S407 L412 E413 R414S407-S410 PolarHBondContact N-OG 2.8Å; S407-S410 PolarHBondContact O-N 3.27Å; S407-S410 VanDerWaalsContact O-N 3.11Å; S407-S410 PolarHBondContact O-OG 3.47Å; S407-S410 WeakPolarHBondContact OG-CB 3.5Å; S407-S410 PolarHBondContact OG-N 2.94Å; S407-S410 PolarHBondContact OG-OG 2.91Å; S410-L412 PolarHBondContact O-N 2.7Å; S410-E413 PolarHBondContact O-N 3.38Å; S410-R414 WeakPolarHBondContact O-CB 3.28Å; S410-R414 PolarHBondContact O-N 3.45Å
411T92.2Very high79.5Confident0 Ų053.4 Ų53.40%029%0.286CS..Hα-helixtrans-59.7-47.3175.6-51.60000111.1S407 H408 G409 R414 L415 V487 E491 L492 Q495S407-T411 PolarHBondContact O-N 3.26Å; S407-T411 VanDerWaalsContact O-N 3.09Å; S407-T411 PolarHBondContact O-OG1 3.36Å; H408-T411 PolarHBondContact O-N 3.32Å; G409-T411 VanDerWaalsContact C-N 3.33Å; G409-T411 PolarHBondContact O-N 3.12Å; T411-R414 PolarHBondContact O-N 3.44Å; T411-L415 HydrophobicContact CG2-CD1 4.3Å; T411-L415 WeakPolarHBondContact O-CB 3.18Å; T411-L415 WeakPolarHBondContact O-CG 3.3Å; T411-L415 PolarHBondContact O-N 3.33Å; T411-V487 HydrophobicContact CG2-CG1 3.79Å; T411-E491 HydrophobicContact CG2-CB 3.86Å; T411-L492 HydrophobicContact CG2-CB 4.27Å; T411-Q495 PolarHBondContact OG1-NE2 2.91Å; T411-Q495 PolarHBondContact OG1-OE1 3.41Å
412L93.9Very high81.7Confident1 Ų147.2 Ų47.21%0.00526%0.257CS..Hα-helixtrans-69.7-40-179-67.3169.5000112.3M24 V28 R31 H408 G409 S410 R414 L415 L416 L492 Y568 L572M24-L412 HydrophobicContact SD-CD2 4.24Å; V28-L412 HydrophobicContact CG2-CB 3.88Å; R31-L412 HydrophobicContact CB-CD1 4.06Å; R31-L412 HydrophobicContact CG-CD1 3.83Å; H408-L412 WeakPolarHBondContact O-CG 3.36Å; H408-L412 PolarHBondContact O-N 3.47Å; G409-L412 PolarHBondContact O-N 3.32Å; S410-L412 PolarHBondContact O-N 2.7Å; L412-R414 VanDerWaalsContact C-N 3.32Å; L412-R414 PolarHBondContact O-N 2.94Å; L412-L415 PolarHBondContact O-N 3.11Å; L412-L416 WeakPolarHBondContact O-CB 3.31Å; L412-L416 PolarHBondContact O-N 2.8Å; L412-L492 HydrophobicContact CD2-CD1 3.82Å; L412-Y568 HydrophobicContact CD1-CE2 4.07Å; L412-Y568 WeakPolarHBondContact CD1-OH 3.27Å; L412-L572 HydrophobicContact CD2-CD2 4.06Å
413E92.6Very high84.1Confident89 Ų8944.8 Ų44.842%0.41624%0.238SC..Hα-helixtrans-63-40.6175-72.8-179.2177.700111.5V28 G409 S410 L416 A417V28-E413 HydrophobicContact CG1-CG 4.45Å; G409-E413 WeakPolarHBondContact O-CG 3.43Å; G409-E413 PolarHBondContact O-N 3.03Å; S410-E413 PolarHBondContact O-N 3.38Å; E413-L416 WeakPolarHBondContact O-CB 3.36Å; E413-L416 PolarHBondContact O-N 3.27Å; E413-A417 PolarHBondContact O-N 3.3Å
414R93Very high86.7Confident25 Ų2541.4 Ų41.49%0.09422%0.22CC..Hα-helixtrans-65.3-43.8174178.8152.264.7176-1.6112.2L398 S410 T411 L412 L416 A417 W418 E491L398-R414 HydrophobicContact CD2-CB 4.48Å; L398-R414 HydrophobicContact CD2-CG 3.75Å; L398-R414 PolarHBondContact O-NH1 3.4Å; S410-R414 WeakPolarHBondContact O-CB 3.28Å; S410-R414 PolarHBondContact O-N 3.45Å; T411-R414 PolarHBondContact O-N 3.44Å; L412-R414 VanDerWaalsContact C-N 3.32Å; L412-R414 PolarHBondContact O-N 2.94Å; R414-L416 VanDerWaalsContact C-N 3.31Å; R414-L416 PolarHBondContact O-N 3.17Å; R414-A417 WeakPolarHBondContact O-CB 3.37Å; R414-A417 PolarHBondContact O-N 2.82Å; R414-W418 PolarHBondContact O-N 3.4Å; R414-E491 IonicContact CZ-OE2 3.12Å; R414-E491 VanDerWaalsContact NH2-CD 3.34Å; R414-E491 IonicContact NH2-OE1 2.99Å; R414-E491 PolarHBondContact NH2-OE1 2.7Å; R414-E491 IonicContact NH2-OE2 3.11Å; R414-E491 PolarHBondContact NH2-OE2 3.28Å
415L94.5Very high89.3Confident0 Ų034.5 Ų34.50%019%0.188CC..Hα-helixtrans-59.3-42.2173-77.5170000111.4M24 T411 L412 A417 W418 E419 I484 V487 L492 W575M24-L415 HydrophobicContact CE-CB 3.93Å; M24-L415 HydrophobicContact CE-CD1 4.12Å; M24-L415 HydrophobicContact CG-CB 4.38Å; M24-L415 HydrophobicContact SD-CB 3.88Å; T411-L415 HydrophobicContact CG2-CD1 4.3Å; T411-L415 WeakPolarHBondContact O-CB 3.18Å; T411-L415 WeakPolarHBondContact O-CG 3.3Å; T411-L415 PolarHBondContact O-N 3.33Å; L412-L415 PolarHBondContact O-N 3.11Å; L415-A417 VanDerWaalsContact C-N 3.34Å; L415-A417 PolarHBondContact O-N 3.43Å; L415-W418 PolarHBondContact O-N 3.44Å; L415-E419 WeakPolarHBondContact O-CB 3.42Å; L415-E419 VanDerWaalsContact O-CG 3.32Å; L415-E419 WeakPolarHBondContact O-CG 3.4Å; L415-E419 PolarHBondContact O-N 3.31Å; L415-I484 HydrophobicContact CD2-CG2 4.16Å; L415-V487 HydrophobicContact CD1-CG1 4.26Å; L415-V487 HydrophobicContact CD2-CB 3.85Å; L415-V487 HydrophobicContact CD2-CG1 3.68Å; L415-V487 HydrophobicContact CG-CB 4.43Å; L415-V487 HydrophobicContact CG-CG1 3.7Å; L415-L492 HydrophobicContact CD1-CB 4.28Å; L415-L492 HydrophobicContact CD1-CD2 3.79Å; L415-L492 HydrophobicContact CD1-CG 4.43Å; L415-W575 HydrophobicContact CD1-CH2 4.27Å; L415-W575 HydrophobicContact CD2-CH2 4.38Å; L415-W575 HydrophobicContact CD2-CZ2 4.3Å
416L94.8Very high91.3Very high22 Ų2231.4 Ų31.412%0.11516%0.155CC..Hα-helixtrans-61.6-41174.8179.759.9000112.1M24 K25 V28 L412 E413 R414 E419 K420M24-L416 HydrophobicContact CB-CD1 4.29Å; M24-L416 HydrophobicContact CG-CB 3.86Å; M24-L416 HydrophobicContact CG-CD1 4.14Å; K25-L416 HydrophobicContact CB-CD1 4.04Å; V28-L416 HydrophobicContact CG2-CB 4.26Å; V28-L416 HydrophobicContact CG2-CD2 4.18Å; L412-L416 WeakPolarHBondContact O-CB 3.31Å; L412-L416 PolarHBondContact O-N 2.8Å; E413-L416 WeakPolarHBondContact O-CB 3.36Å; E413-L416 PolarHBondContact O-N 3.27Å; R414-L416 VanDerWaalsContact C-N 3.31Å; R414-L416 PolarHBondContact O-N 3.17Å; L416-E419 PolarHBondContact O-N 3.21Å; L416-K420 WeakPolarHBondContact O-CB 3.44Å; L416-K420 WeakPolarHBondContact O-CG 3.33Å; L416-K420 PolarHBondContact O-N 3.09Å
417A93.9Very high92.7Very high21 Ų2129.6 Ų29.617%0.17415%0.147CC..Hα-helixtrans-64-43.3175.700000111.9L393 E413 R414 L415 K420 K421L393-A417 HydrophobicContact CD1-CB 4.26Å; E413-A417 PolarHBondContact O-N 3.3Å; R414-A417 WeakPolarHBondContact O-CB 3.37Å; R414-A417 PolarHBondContact O-N 2.82Å; L415-A417 VanDerWaalsContact C-N 3.34Å; L415-A417 PolarHBondContact O-N 3.43Å; A417-K420 PolarHBondContact O-N 2.92Å; A417-K421 PolarHBondContact O-N 3.04Å
418W95.1Very high93Very high17 Ų1729.7 Ų29.76%0.06415%0.151CC..Hα-helixtrans-65.6-40.5175-75.4120.8000112.9T395 L398 R414 L415 K421 L422 T480 A483 I484T395-W418 HydrophobicContact CG2-CH2 3.94Å; T395-W418 HydrophobicContact CG2-CZ3 4.43Å; L398-W418 HydrophobicContact CB-CZ2 4.22Å; L398-W418 HydrophobicContact CD1-CD2 4.33Å; L398-W418 HydrophobicContact CD1-CH2 4.34Å; L398-W418 HydrophobicContact CD1-CZ2 3.91Å; R414-W418 PolarHBondContact O-N 3.4Å; L415-W418 PolarHBondContact O-N 3.44Å; W418-K421 HydrophobicContact CE3-CD 3.96Å; W418-K421 HydrophobicContact CZ3-CD 3.81Å; W418-K421 WeakPolarHBondContact O-CB 3.23Å; W418-K421 PolarHBondContact O-N 2.98Å; W418-L422 WeakPolarHBondContact O-CB 3.35Å; W418-L422 PolarHBondContact O-N 3.35Å; W418-T480 HydrophobicContact CE3-CG2 3.83Å; W418-T480 HydrophobicContact CZ3-CG2 4.36Å; W418-A483 HydrophobicContact CD2-CB 4.24Å; W418-A483 HydrophobicContact CE3-CB 4.32Å; W418-A483 HydrophobicContact CH2-CB 4.07Å; W418-A483 HydrophobicContact CZ2-CB 4.02Å; W418-A483 HydrophobicContact CZ3-CB 4.21Å; W418-I484 HydrophobicContact CB-CD1 4.08Å; W418-I484 HydrophobicContact CB-CG1 3.52Å; W418-I484 HydrophobicContact CG-CG1 4.32Å
419E95.4Very high93.2Very high0 Ų029.3 Ų29.30%015%0.148CC..Hα-helixtrans-65-38.5175.4-73.6-69.9174.700111.8R20 M24 L415 L416 K421 L422 Y423 I484 W575R20-E419 IonicContact CZ-OE1 3.87Å; R20-E419 IonicContact CZ-OE2 2.72Å; R20-E419 IonicContact NE-OE1 3.9Å; R20-E419 PolarHBondContact NE-OE1 3.47Å; R20-E419 IonicContact NE-OE2 3.89Å; R20-E419 PolarHBondContact NE-OE2 2.7Å; R20-E419 IonicContact NH2-OE1 3.84Å; R20-E419 PolarHBondContact NH2-OE1 3.14Å; R20-E419 IonicContact NH2-OE2 3.69Å; R20-E419 PolarHBondContact NH2-OE2 2.93Å; M24-E419 HydrophobicContact CB-CG 4.35Å; M24-E419 HydrophobicContact CG-CG 4.41Å; L415-E419 WeakPolarHBondContact O-CB 3.42Å; L415-E419 VanDerWaalsContact O-CG 3.32Å; L415-E419 WeakPolarHBondContact O-CG 3.4Å; L415-E419 PolarHBondContact O-N 3.31Å; L416-E419 PolarHBondContact O-N 3.21Å; E419-K421 VanDerWaalsContact C-N 3.35Å; E419-L422 PolarHBondContact O-N 3.06Å; E419-Y423 PolarHBondContact O-N 2.91Å; E419-I484 HydrophobicContact CG-CD1 4.41Å; E419-W575 PolarHBondContact OE1-NE1 3.35Å
420K94.6Very high93.4Very high83 Ų8329.6 Ų29.636%0.36115%0.149SC..Hα-helixtrans-60.3-44.7170.8-76.3175.4179.2-177.20111.3R21 L416 A417 Y423 Q424R21-K420 HydrophobicContact CG-CG 4.19Å; L416-K420 WeakPolarHBondContact O-CB 3.44Å; L416-K420 WeakPolarHBondContact O-CG 3.33Å; L416-K420 PolarHBondContact O-N 3.09Å; A417-K420 PolarHBondContact O-N 2.92Å; K420-Y423 PolarHBondContact O-N 2.66Å; K420-Q424 WeakPolarHBondContact O-CG 3.39Å; K420-Q424 PolarHBondContact O-N 2.89Å
421K94.2Very high93.7Very high34 Ų3430.1 Ų30.115%0.14815%0.152CC..Hα-helixtrans-63.8-45.3177-175.7171.9173.61740111.7L393 T395 A417 W418 E419 Y423 Q424 E425 T480L393-K421 HydrophobicContact CD2-CB 3.82Å; L393-K421 HydrophobicContact CD2-CD 3.82Å; L393-K421 HydrophobicContact CD2-CG 4.13Å; T395-K421 PolarHBondContact OG1-NZ 3.43Å; A417-K421 PolarHBondContact O-N 3.04Å; W418-K421 HydrophobicContact CE3-CD 3.96Å; W418-K421 HydrophobicContact CZ3-CD 3.81Å; W418-K421 WeakPolarHBondContact O-CB 3.23Å; W418-K421 PolarHBondContact O-N 2.98Å; E419-K421 VanDerWaalsContact C-N 3.35Å; K421-Y423 VanDerWaalsContact C-N 3.32Å; K421-Y423 PolarHBondContact O-N 3.36Å; K421-Q424 PolarHBondContact O-N 3.29Å; K421-Q424 VanDerWaalsContact O-N 3.15Å; K421-E425 WeakPolarHBondContact CE-OE1 3.3Å; K421-E425 HydrophobicContact CG-CG 4.4Å; K421-E425 IonicContact NZ-OE1 2.86Å; K421-E425 WeakPolarHBondContact O-CG 3.39Å; K421-E425 PolarHBondContact O-N 2.79Å; K421-T480 HydrophobicContact CB-CG2 4.34Å; K421-T480 HydrophobicContact CG-CG2 4.29Å
422L93.3Very high93.7Very high5 Ų531 Ų313%0.02616%0.158CC..Hα-helixtrans-58.3-45.4177.7-17664000111.2W418 E419 Q424 E425 V426 T480 I484W418-L422 WeakPolarHBondContact O-CB 3.35Å; W418-L422 PolarHBondContact O-N 3.35Å; E419-L422 PolarHBondContact O-N 3.06Å; L422-Q424 VanDerWaalsContact C-N 3.33Å; L422-Q424 PolarHBondContact O-N 2.95Å; L422-E425 PolarHBondContact O-N 3.39Å; L422-V426 HydrophobicContact CD1-CG2 3.98Å; L422-V426 HydrophobicContact CG-CG2 4.22Å; L422-V426 WeakPolarHBondContact O-CB 3.49Å; L422-V426 VanDerWaalsContact O-CG2 3.28Å; L422-V426 WeakPolarHBondContact O-CG2 3.25Å; L422-V426 PolarHBondContact O-N 2.82Å; L422-T480 HydrophobicContact CB-CG2 3.79Å; L422-T480 HydrophobicContact CD1-CG2 4.16Å; L422-I484 HydrophobicContact CB-CD1 4.02Å; L422-I484 HydrophobicContact CD2-CD1 3.76Å; L422-I484 HydrophobicContact CG-CD1 4.42Å
423Y93.8Very high93.7Very high13 Ų1333.5 Ų33.55%0.05117%0.168CC..Hα-helixtrans-57.5-45176.7172-103.1000111.9E9 V14 C17 K18 E419 K420 K421 K427E9-Y423 PolarHBondContact OE1-OH 3.19Å; E9-Y423 VanDerWaalsContact OE1-OH 3.09Å; E9-Y423 PolarHBondContact OE2-OH 2.9Å; E9-Y423 VanDerWaalsContact OE2-OH 3.14Å; V14-Y423 HydrophobicContact CG1-CD2 4.45Å; V14-Y423 HydrophobicContact CG1-CE2 3.71Å; C17-Y423 HydrophobicContact CB-CD2 4.08Å; K18-Y423 HydrophobicContact CB-CD2 4.13Å; K18-Y423 HydrophobicContact CB-CE2 3.82Å; K18-Y423 HydrophobicContact CG-CE2 4.35Å; E419-Y423 PolarHBondContact O-N 2.91Å; K420-Y423 PolarHBondContact O-N 2.66Å; K421-Y423 VanDerWaalsContact C-N 3.32Å; K421-Y423 PolarHBondContact O-N 3.36Å; Y423-K427 HydrophobicContact CE1-CD 4.34Å; Y423-K427 VanDerWaalsContact O-CB 3.23Å; Y423-K427 WeakPolarHBondContact O-CB 3.35Å; Y423-K427 PolarHBondContact O-N 3.07Å
424Q94.5Very high93.7Very high109 Ų10929.5 Ų29.551%0.50915%0.15SC..Hα-helixtrans-66.9-41.9178.4-64.1-62.1-7.200112.5K420 K421 L422 K427 A428K420-Q424 WeakPolarHBondContact O-CG 3.39Å; K420-Q424 PolarHBondContact O-N 2.89Å; K421-Q424 PolarHBondContact O-N 3.29Å; K421-Q424 VanDerWaalsContact O-N 3.15Å; L422-Q424 VanDerWaalsContact C-N 3.33Å; L422-Q424 PolarHBondContact O-N 2.95Å; Q424-K427 PolarHBondContact O-N 3.41Å; Q424-A428 WeakPolarHBondContact O-CB 3.31Å; Q424-A428 PolarHBondContact O-N 3.48Å
425E92.2Very high93.6Very high34 Ų3432.8 Ų32.816%0.15917%0.166CC..Hα-helixtrans-67.2-39.4178.3-71.8176.4171.200112.3K421 L422 A428 R429 A476 A477 T480K421-E425 WeakPolarHBondContact CE-OE1 3.3Å; K421-E425 HydrophobicContact CG-CG 4.4Å; K421-E425 IonicContact NZ-OE1 2.86Å; K421-E425 WeakPolarHBondContact O-CG 3.39Å; K421-E425 PolarHBondContact O-N 2.79Å; L422-E425 PolarHBondContact O-N 3.39Å; E425-A428 PolarHBondContact O-N 3.31Å; E425-R429 WeakPolarHBondContact O-CB 3.42Å; E425-R429 PolarHBondContact O-N 2.89Å; E425-A476 HydrophobicContact CG-CB 4.43Å; E425-A476 VanDerWaalsContact OE2-C 3.27Å; E425-A476 VanDerWaalsContact OE2-O 3.07Å; E425-A477 HydrophobicContact CB-CB 4.27Å; E425-A477 WeakPolarHBondContact OE2-CA 3.31Å; E425-A477 PolarHBondContact OE2-N 2.95Å; E425-T480 VanDerWaalsContact CD-OG1 3.24Å; E425-T480 PolarHBondContact OE1-OG1 3.27Å; E425-T480 WeakPolarHBondContact OE2-CB 3.1Å; E425-T480 PolarHBondContact OE2-OG1 3.44Å
426V93.3Very high93.6Very high4 Ų434.1 Ų34.12%0.02417%0.173CC..Hα-helixtrans-68.5-43.2175.2172.90000110.7V14 L422 A428 R429 E430 A477V14-V426 HydrophobicContact CG2-CG1 4.14Å; L422-V426 HydrophobicContact CD1-CG2 3.98Å; L422-V426 HydrophobicContact CG-CG2 4.22Å; L422-V426 WeakPolarHBondContact O-CB 3.49Å; L422-V426 VanDerWaalsContact O-CG2 3.28Å; L422-V426 WeakPolarHBondContact O-CG2 3.25Å; L422-V426 PolarHBondContact O-N 2.82Å; V426-A428 VanDerWaalsContact C-N 3.32Å; V426-A428 PolarHBondContact O-N 3.43Å; V426-R429 PolarHBondContact O-N 3.17Å; V426-E430 HydrophobicContact CG1-CG 4.33Å; V426-E430 WeakPolarHBondContact O-CG 3.36Å; V426-E430 PolarHBondContact O-N 3.42Å; V426-A477 HydrophobicContact CG2-CB 4.17Å
427K93.3Very high93.6Very high69 Ų6938 Ų3830%0.319%0.19SC..Hα-helixtrans-58.3-43.9173.9-176.8171.3176.1163.30111.5V8 E9 Y423 Q424 S431V8-K427 HydrophobicContact CG1-CG 3.87Å; E9-K427 WeakPolarHBondContact OE1-CE 3.43Å; E9-K427 IonicContact OE1-NZ 2.71Å; E9-K427 PolarHBondContact OE1-NZ 2.69Å; Y423-K427 HydrophobicContact CE1-CD 4.34Å; Y423-K427 VanDerWaalsContact O-CB 3.23Å; Y423-K427 WeakPolarHBondContact O-CB 3.35Å; Y423-K427 PolarHBondContact O-N 3.07Å; Q424-K427 PolarHBondContact O-N 3.41Å; K427-S431 WeakPolarHBondContact O-CB 3.37Å; K427-S431 PolarHBondContact O-N 3.04Å
428A92.7Very high93.6Very high40 Ų4041.3 Ų41.333%0.33120%0.2SC..Hα-helixtrans-62.4-48.1174.100000111.7Q424 E425 V426 E430 S431 V432Q424-A428 WeakPolarHBondContact O-CB 3.31Å; Q424-A428 PolarHBondContact O-N 3.48Å; E425-A428 PolarHBondContact O-N 3.31Å; V426-A428 VanDerWaalsContact C-N 3.32Å; V426-A428 PolarHBondContact O-N 3.43Å; A428-E430 PolarHBondContact O-N 2.93Å; A428-S431 PolarHBondContact O-N 3Å; A428-S431 PolarHBondContact O-OG 2.92Å; A428-V432 WeakPolarHBondContact O-CG2 3.38Å; A428-V432 PolarHBondContact O-N 3.5Å; A428-V432 VanDerWaalsContact O-N 3.08Å
429R92.6Very high93.5Very high7 Ų743.9 Ų43.93%0.02621%0.212CC..Hα-helixtrans-57-48.2178.2-174.2-174.973164.41.5112.5E425 V426 V432 K433 D584E425-R429 WeakPolarHBondContact O-CB 3.42Å; E425-R429 PolarHBondContact O-N 2.89Å; V426-R429 PolarHBondContact O-N 3.17Å; R429-V432 PolarHBondContact O-N 3.21Å; R429-K433 WeakPolarHBondContact O-CG 3.5Å; R429-K433 PolarHBondContact O-N 2.92Å; R429-D584 IonicContact NH1-OD1 3.98Å
430E93.5Very high93.4Very high9 Ų947.3 Ų47.34%0.04223%0.23CC..Hα-helixtrans-68.6-35.2179.3-62.2-43.4132.500112.2V8 E11 T13 V14 V426 A428 V432 K433 I434V8-E430 HydrophobicContact CG1-CB 4.43Å; E11-E430 HydrophobicContact CB-CG 4.3Å; E11-E430 HydrophobicContact CG-CB 4.25Å; E11-E430 HydrophobicContact CG-CG 4.46Å; T13-E430 VanDerWaalsContact OG1-CG 3.24Å; T13-E430 WeakPolarHBondContact OG1-CG 3.39Å; T13-E430 PolarHBondContact OG1-OE1 2.95Å; V14-E430 HydrophobicContact CG2-CB 4.07Å; V14-E430 HydrophobicContact CG2-CG 3.78Å; V426-E430 HydrophobicContact CG1-CG 4.33Å; V426-E430 WeakPolarHBondContact O-CG 3.36Å; V426-E430 PolarHBondContact O-N 3.42Å; A428-E430 PolarHBondContact O-N 2.93Å; E430-V432 VanDerWaalsContact C-N 3.33Å; E430-V432 PolarHBondContact O-N 3.37Å; E430-K433 PolarHBondContact O-N 3.36Å; E430-K433 IonicContact OE1-NZ 3.26Å; E430-K433 PolarHBondContact OE1-NZ 3.09Å; E430-K433 WeakPolarHBondContact OE2-CD 3.29Å; E430-K433 IonicContact OE2-NZ 2.68Å; E430-K433 PolarHBondContact OE2-NZ 2.94Å; E430-I434 WeakPolarHBondContact O-CG1 3.44Å; E430-I434 PolarHBondContact O-N 3.34Å
431S93.4Very high93.3Very high50 Ų5046.9 Ų46.935%0.3524%0.237SC..Hα-helixtrans-60.5-41.6173.676.70000112.7K427 A428 I434 E435K427-S431 WeakPolarHBondContact O-CB 3.37Å; K427-S431 PolarHBondContact O-N 3.04Å; A428-S431 PolarHBondContact O-N 3Å; A428-S431 PolarHBondContact O-OG 2.92Å; S431-I434 PolarHBondContact O-N 3.22Å; S431-E435 PolarHBondContact O-N 2.71Å; S431-E435 VanDerWaalsContact O-N 3.08Å
432V93.3Very high93.2Very high19 Ų1948 Ų4812%0.11525%0.248CC..Hα-helixtrans-70.1-38.4176.9-178.80000110.9A428 R429 E430 E435 H436 L466 L469 I470 T473A428-V432 WeakPolarHBondContact O-CG2 3.38Å; A428-V432 PolarHBondContact O-N 3.5Å; A428-V432 VanDerWaalsContact O-N 3.08Å; R429-V432 PolarHBondContact O-N 3.21Å; E430-V432 VanDerWaalsContact C-N 3.33Å; E430-V432 PolarHBondContact O-N 3.37Å; V432-E435 PolarHBondContact O-N 3.44Å; V432-H436 WeakPolarHBondContact O-CB 3.14Å; V432-H436 PolarHBondContact O-N 3.29Å; V432-L466 HydrophobicContact CG1-CD2 3.9Å; V432-L469 HydrophobicContact CG1-CB 3.72Å; V432-I470 HydrophobicContact CB-CG1 4.38Å; V432-I470 HydrophobicContact CG1-CG1 3.71Å; V432-T473 HydrophobicContact CG2-CG2 4.49Å
433K92.8Very high93.1Very high53 Ų5348.9 Ų48.923%0.2325%0.252CS..Hα-helixtrans-60.8-45.8174-77.6170170.4-178.50112R429 E430 E435 H436 E437 I470R429-K433 WeakPolarHBondContact O-CG 3.5Å; R429-K433 PolarHBondContact O-N 2.92Å; E430-K433 PolarHBondContact O-N 3.36Å; E430-K433 IonicContact OE1-NZ 3.26Å; E430-K433 PolarHBondContact OE1-NZ 3.09Å; E430-K433 WeakPolarHBondContact OE2-CD 3.29Å; E430-K433 IonicContact OE2-NZ 2.68Å; E430-K433 PolarHBondContact OE2-NZ 2.94Å; K433-E435 VanDerWaalsContact C-N 3.31Å; K433-E435 PolarHBondContact O-N 2.73Å; K433-H436 WeakPolarHBondContact O-CB 3.49Å; K433-H436 PolarHBondContact O-N 3.12Å; K433-E437 WeakPolarHBondContact O-CG 3.17Å; K433-E437 PolarHBondContact O-N 3.45Å; K433-I470 HydrophobicContact CG-CD1 4.12Å; K433-I470 HydrophobicContact CG-CG1 4.11Å; K433-I470 HydrophobicContact CG-CG2 4.33Å
434I92.7Very high92.9Very high5 Ų554.9 Ų54.93%0.02628%0.28CS..Hα-helixtrans-62.2-39.1176.5-72.2165000111.1K7 V8 E11 E430 S431 K438K7-I434 HydrophobicContact CB-CD1 4.39Å; K7-I434 HydrophobicContact CD-CD1 4.29Å; K7-I434 HydrophobicContact CD-CG1 4.49Å; K7-I434 HydrophobicContact CD-CG2 4.1Å; K7-I434 HydrophobicContact CG-CD1 4.04Å; V8-I434 HydrophobicContact CB-CD1 4.34Å; V8-I434 HydrophobicContact CG2-CD1 3.66Å; E11-I434 HydrophobicContact CG-CD1 4.12Å; E430-I434 WeakPolarHBondContact O-CG1 3.44Å; E430-I434 PolarHBondContact O-N 3.34Å; S431-I434 PolarHBondContact O-N 3.22Å; I434-K438 HydrophobicContact CG2-CD 4.36Å; I434-K438 VanDerWaalsContact O-CG 3.3Å; I434-K438 WeakPolarHBondContact O-CG 3.49Å; I434-K438 PolarHBondContact O-N 3.33Å; I434-K438 VanDerWaalsContact O-N 3.1Å
435E92.8Very high92.6Very high95 Ų9552.5 Ų52.544%0.44428%0.276SS..Hα-helixtrans-66.2-42.6174.9-166.3-175166.100111.9S431 V432 K433 E437 K438 K439 L466S431-E435 PolarHBondContact O-N 2.71Å; S431-E435 VanDerWaalsContact O-N 3.08Å; V432-E435 PolarHBondContact O-N 3.44Å; K433-E435 VanDerWaalsContact C-N 3.31Å; K433-E435 PolarHBondContact O-N 2.73Å; E435-E437 PolarHBondContact O-N 3.32Å; E435-K438 PolarHBondContact O-N 2.87Å; E435-K439 WeakPolarHBondContact O-CG 3.02Å; E435-K439 PolarHBondContact O-N 3.08Å; E435-L466 HydrophobicContact CB-CD1 4.36Å; E435-L466 HydrophobicContact CB-CD2 4.21Å; E435-L466 HydrophobicContact CG-CD1 3.93Å; E435-L466 HydrophobicContact CG-CD2 4.14Å
436H93.8Very high92.5Very high28 Ų2852.5 Ų52.513%0.1328%0.277CS..Hα-helixtrans-59.2-45.7176176.3-103.8000111.7V432 K433 K438 K439 L440 L466 Q467 I470V432-H436 WeakPolarHBondContact O-CB 3.14Å; V432-H436 PolarHBondContact O-N 3.29Å; K433-H436 WeakPolarHBondContact O-CB 3.49Å; K433-H436 PolarHBondContact O-N 3.12Å; H436-K438 PolarHBondContact O-N 3Å; H436-K439 PolarHBondContact O-N 2.91Å; H436-L440 WeakPolarHBondContact CE1-CD1 3.22Å; H436-L440 WeakPolarHBondContact O-CG 3.34Å; H436-L440 PolarHBondContact O-N 2.9Å; H436-L466 HydrophobicContact CB-CB 4.04Å; H436-L466 HydrophobicContact CB-CD1 4.39Å; H436-Q467 WeakPolarHBondContact NE2-CG 3.32Å; H436-Q467 PolarHBondContact NE2-NE2 2.9Å; H436-I470 HydrophobicContact CB-CD1 3.61Å
437E93.8Very high92.2Very high102 Ų10257.2 Ų57.248%0.47730%0.298SS..Hα-helixtrans-59.3-45.4174.2-73.4178-178.800112.3K433 E435 K439 L440 S441K433-E437 WeakPolarHBondContact O-CG 3.17Å; K433-E437 PolarHBondContact O-N 3.45Å; E435-E437 PolarHBondContact O-N 3.32Å; E437-K439 VanDerWaalsContact C-N 3.31Å; E437-K439 PolarHBondContact O-N 3.04Å; E437-L440 WeakPolarHBondContact O-CB 3.49Å; E437-L440 PolarHBondContact O-N 3.01Å; E437-S441 PolarHBondContact O-N 3Å; E437-S441 PolarHBondContact O-OG 2.88Å
438K94Very high91.7Very high91 Ų9164.3 Ų64.340%0.39633%0.325SS..Hα-helixtrans-60.5-40.6176.3-73170.4-176.7171.30112.1I434 E435 H436 S441 T442I434-K438 HydrophobicContact CG2-CD 4.36Å; I434-K438 VanDerWaalsContact O-CG 3.3Å; I434-K438 WeakPolarHBondContact O-CG 3.49Å; I434-K438 PolarHBondContact O-N 3.33Å; I434-K438 VanDerWaalsContact O-N 3.1Å; E435-K438 PolarHBondContact O-N 2.87Å; H436-K438 PolarHBondContact O-N 3Å; K438-S441 PolarHBondContact O-N 3.41Å; K438-T442 PolarHBondContact O-N 3.36Å; K438-T442 PolarHBondContact O-OG1 3.37Å
439K93.1Very high91.1Very high71 Ų7171.4 Ų71.431%0.30934%0.343SS..Hα-helixtrans-68.8-37176.6-70.3-64.6-173.5179.30111.8E435 H436 E437 T442 L443 I463 L466E435-K439 WeakPolarHBondContact O-CG 3.02Å; E435-K439 PolarHBondContact O-N 3.08Å; H436-K439 PolarHBondContact O-N 2.91Å; E437-K439 VanDerWaalsContact C-N 3.31Å; E437-K439 PolarHBondContact O-N 3.04Å; K439-T442 WeakPolarHBondContact O-CB 3.2Å; K439-T442 PolarHBondContact O-N 3.47Å; K439-L443 PolarHBondContact O-N 2.88Å; K439-I463 HydrophobicContact CB-CD1 4.45Å; K439-I463 HydrophobicContact CB-CG1 3.76Å; K439-L466 HydrophobicContact CB-CD1 4.16Å; K439-L466 HydrophobicContact CG-CD1 3.6Å
440L93.9Very high90.1Very high72 Ų7274.3 Ų74.338%0.37738%0.375SS..Hα-helixtrans-61.6-46.1171.7-75.7173.4000111.8H436 E437 T442 L443 Q444 I463H436-L440 WeakPolarHBondContact CE1-CD1 3.22Å; H436-L440 WeakPolarHBondContact O-CG 3.34Å; H436-L440 PolarHBondContact O-N 2.9Å; E437-L440 WeakPolarHBondContact O-CB 3.49Å; E437-L440 PolarHBondContact O-N 3.01Å; L440-T442 VanDerWaalsContact C-N 3.27Å; L440-T442 PolarHBondContact O-N 3.18Å; L440-L443 WeakPolarHBondContact O-CB 3.45Å; L440-L443 PolarHBondContact O-N 3.42Å; L440-Q444 PolarHBondContact O-N 2.69Å; L440-I463 HydrophobicContact CD2-CD1 4.08Å; L440-I463 HydrophobicContact CD2-CG2 4.22Å
441S92.9Very high88.8Confident74 Ų7484.5 Ų84.552%0.51741%0.413SS..Hα-helixtrans-61.6-37.2174.4-54.60000112.1E437 K438 Q444 S445E437-S441 PolarHBondContact O-N 3Å; E437-S441 PolarHBondContact O-OG 2.88Å; K438-S441 PolarHBondContact O-N 3.41Å; S441-Q444 PolarHBondContact O-N 3Å; S441-S445 PolarHBondContact O-N 3.46Å
442T91Very high88Confident59 Ų5985.2 Ų85.236%0.36241%0.413SS..Hα-helixtrans-64.9-44175.1-55.40000111.1K438 K439 L440 Q444 S445 L446K438-T442 PolarHBondContact O-N 3.36Å; K438-T442 PolarHBondContact O-OG1 3.37Å; K439-T442 WeakPolarHBondContact O-CB 3.2Å; K439-T442 PolarHBondContact O-N 3.47Å; L440-T442 VanDerWaalsContact C-N 3.27Å; L440-T442 PolarHBondContact O-N 3.18Å; T442-Q444 PolarHBondContact O-N 3.21Å; T442-S445 PolarHBondContact O-N 2.86Å; T442-S445 PolarHBondContact O-OG 3.13Å; T442-L446 HydrophobicContact CG2-CD1 4.08Å; T442-L446 HydrophobicContact CG2-CG 4.49Å; T442-L446 WeakPolarHBondContact O-CG 3.39Å; T442-L446 PolarHBondContact O-N 3Å
443L90.9Very high87.6Confident22 Ų2288.4 Ų88.412%0.11544%0.436CS..Hα-helixtrans-58.7-48175.8-177.968000110.8K439 L440 S445 L446 E447 L456 T459 K460 I463K439-L443 PolarHBondContact O-N 2.88Å; L440-L443 WeakPolarHBondContact O-CB 3.45Å; L440-L443 PolarHBondContact O-N 3.42Å; L443-S445 VanDerWaalsContact C-N 3.28Å; L443-S445 PolarHBondContact O-N 3.27Å; L443-L446 PolarHBondContact O-N 2.67Å; L443-L446 VanDerWaalsContact O-N 3.09Å; L443-E447 HydrophobicContact CD1-CG 4.38Å; L443-E447 HydrophobicContact CG-CG 4.37Å; L443-E447 WeakPolarHBondContact O-CB 3.15Å; L443-E447 WeakPolarHBondContact O-CG 3.37Å; L443-E447 PolarHBondContact O-N 2.87Å; L443-L456 HydrophobicContact CD1-CG 4.16Å; L443-T459 HydrophobicContact CB-CG2 3.92Å; L443-T459 HydrophobicContact CD1-CG2 4.2Å; L443-K460 HydrophobicContact CD1-CG 3.9Å; L443-K460 HydrophobicContact CD2-CG 4.41Å; L443-I463 HydrophobicContact CB-CD1 3.78Å; L443-I463 HydrophobicContact CD2-CD1 3.61Å; L443-I463 HydrophobicContact CG-CD1 4.2Å
444Q90.3Very high87.4Confident139 Ų13990.4 Ų90.465%0.6545%0.453SS*.Hα-helixtrans-57.7-40.8176.9-171.5-179.64.700112L440 S441 T442 Y448L440-Q444 PolarHBondContact O-N 2.69Å; S441-Q444 PolarHBondContact O-N 3Å; T442-Q444 PolarHBondContact O-N 3.21Å; Q444-Y448 PolarHBondContact O-N 3.38Å
445S89.1Confident87.2Confident59 Ų5995.2 Ų95.241%0.41347%0.474SS..Hα-helixtrans-68.7-32.6177.578.80000113.6S441 T442 L443 R449S441-S445 PolarHBondContact O-N 3.46Å; T442-S445 PolarHBondContact O-N 2.86Å; T442-S445 PolarHBondContact O-OG 3.13Å; L443-S445 VanDerWaalsContact C-N 3.28Å; L443-S445 PolarHBondContact O-N 3.27Å; S445-R449 PolarHBondContact O-N 2.84Å
446L88.8Confident87.1Confident34 Ų3492.4 Ų92.418%0.17846%0.462CS..Hα-helixtrans-77.3-39.3178.2-73.1171000111.6T442 L443 Y448 R449 G450 T459T442-L446 HydrophobicContact CG2-CD1 4.08Å; T442-L446 HydrophobicContact CG2-CG 4.49Å; T442-L446 WeakPolarHBondContact O-CG 3.39Å; T442-L446 PolarHBondContact O-N 3Å; L443-L446 PolarHBondContact O-N 2.67Å; L443-L446 VanDerWaalsContact O-N 3.09Å; L446-Y448 VanDerWaalsContact C-N 3.28Å; L446-Y448 PolarHBondContact O-N 3.25Å; L446-R449 PolarHBondContact O-N 3.39Å; L446-R449 VanDerWaalsContact O-N 3.07Å; L446-G450 PolarHBondContact O-N 3.2Å; L446-T459 WeakPolarHBondContact CD1-OG1 3.35Å
447E86.5Confident86.9Confident103 Ų10395.2 Ų95.248%0.48148%0.478SS..Hα-helixtrans-60.6-38.2174.9-75.4177.6169.600111.4L443 R449 L456L443-E447 HydrophobicContact CD1-CG 4.38Å; L443-E447 HydrophobicContact CG-CG 4.37Å; L443-E447 WeakPolarHBondContact O-CB 3.15Å; L443-E447 WeakPolarHBondContact O-CG 3.37Å; L443-E447 PolarHBondContact O-N 2.87Å; E447-R449 VanDerWaalsContact C-N 3.35Å; E447-R449 PolarHBondContact O-N 3.38Å; E447-L456 HydrophobicContact CG-CD1 3.99Å
448Y83.8Confident86.9Confident219 Ų21997.5 Ų97.586%0.85949%0.486SS*.Hα-helixtrans-67.3-32173-173.6-98.6000113.4Q444 L446Q444-Y448 PolarHBondContact O-N 3.38Å; L446-Y448 VanDerWaalsContact C-N 3.28Å; L446-Y448 PolarHBondContact O-N 3.25Å
449R80.4Confident86.8Confident188 Ų18894 Ų9471%0.70947%0.472SS*.Hα-helixtrans-85.2-19.5-175.8-162.3176.4-68.7-163.9-1113.5S445 L446 E447 R451S445-R449 PolarHBondContact O-N 2.84Å; L446-R449 PolarHBondContact O-N 3.39Å; L446-R449 VanDerWaalsContact O-N 3.07Å; E447-R449 VanDerWaalsContact C-N 3.35Å; E447-R449 PolarHBondContact O-N 3.38Å; R449-R451 PolarHBondContact O-N 2.83Å
450G72.3Confident86.8Confident68 Ų6894.8 Ų94.870%0.70148%0.476SS*.  trans61.311.3164.400000118.2L446L446-G450 PolarHBondContact O-N 3.2Å
451R65.9Low86.8Confident223 Ų22394.2 Ų94.284%0.84248%0.482SS*.  trans-117.5-4-167-77.9-176.6-177.2176.71.7117.4R449R449-R451 PolarHBondContact O-N 2.83Å
452D76.9Confident86.9Confident66 Ų6692.8 Ų92.835%0.35347%0.471SS..  trans-136.581.1-175.7-70.6-45.4000113.2T454 K455 L456D452-T454 VanDerWaalsContact C-N 3.28Å; D452-T454 PolarHBondContact O-N 3.49Å; D452-K455 HydrophobicContact CB-CB 3.84Å; D452-K455 HydrophobicContact CB-CD 3.73Å; D452-K455 HydrophobicContact CB-CG 3.84Å; D452-K455 PolarHBondContact O-N 3.48Å; D452-K455 VanDerWaalsContact O-N 3.15Å; D452-K455 IonicContact OD1-NZ 3.31Å; D452-K455 WeakPolarHBondContact OD2-CD 3.45Å; D452-K455 VanDerWaalsContact OD2-CE 3.32Å; D452-K455 WeakPolarHBondContact OD2-CE 3.39Å; D452-K455 IonicContact OD2-NZ 3.89Å; D452-K455 PolarHBondContact OD2-NZ 3.37Å; D452-L456 PolarHBondContact O-N 2.98Å
453S84.3Confident87.1Confident85 Ų8590.3 Ų90.359%0.59446%0.456SS*.Hα-helixtrans-53.5-43.3178.9-168.10000112.6K455 L456 D457S453-K455 PolarHBondContact O-N 3.33Å; S453-L456 WeakPolarHBondContact O-CB 3.22Å; S453-L456 PolarHBondContact O-N 3.16Å; S453-D457 PolarHBondContact O-N 2.86Å
454T88Confident87.3Confident96 Ų9693.8 Ų93.859%0.58948%0.475SS*.Hα-helixtrans-67.1-33.1-178.4580000113.2D452 K458D452-T454 VanDerWaalsContact C-N 3.28Å; D452-T454 PolarHBondContact O-N 3.49Å; T454-K458 VanDerWaalsContact O-CG 3.27Å; T454-K458 WeakPolarHBondContact O-CG 3.46Å; T454-K458 PolarHBondContact O-N 2.91Å; T454-K458 VanDerWaalsContact O-N 3.16Å
455K88.6Confident87.5Confident105 Ų10594.1 Ų94.146%0.45747%0.474SS..Hα-helixtrans-73.4-36.1175-65.6-176.7-167.7158.90111.1D452 S453 T459D452-K455 HydrophobicContact CB-CB 3.84Å; D452-K455 HydrophobicContact CB-CD 3.73Å; D452-K455 HydrophobicContact CB-CG 3.84Å; D452-K455 PolarHBondContact O-N 3.48Å; D452-K455 VanDerWaalsContact O-N 3.15Å; D452-K455 IonicContact OD1-NZ 3.31Å; D452-K455 WeakPolarHBondContact OD2-CD 3.45Å; D452-K455 VanDerWaalsContact OD2-CE 3.32Å; D452-K455 WeakPolarHBondContact OD2-CE 3.39Å; D452-K455 IonicContact OD2-NZ 3.89Å; D452-K455 PolarHBondContact OD2-NZ 3.37Å; S453-K455 PolarHBondContact O-N 3.33Å; K455-T459 WeakPolarHBondContact O-CB 3.43Å; K455-T459 PolarHBondContact O-N 2.88Å; K455-T459 PolarHBondContact O-OG1 3.5Å
456L89.8Confident87.9Confident36 Ų3691.7 Ų91.719%0.18846%0.456CS..Hα-helixtrans-64-46.7176.1-172.6153000110.5L443 E447 D452 S453 K458 T459 K460L443-L456 HydrophobicContact CD1-CG 4.16Å; E447-L456 HydrophobicContact CG-CD1 3.99Å; D452-L456 PolarHBondContact O-N 2.98Å; S453-L456 WeakPolarHBondContact O-CB 3.22Å; S453-L456 PolarHBondContact O-N 3.16Å; L456-K458 PolarHBondContact O-N 2.74Å; L456-T459 PolarHBondContact O-N 2.87Å; L456-K460 HydrophobicContact CD2-CD 3.7Å; L456-K460 HydrophobicContact CD2-CG 4.31Å; L456-K460 VanDerWaalsContact CD2-NZ 3.33Å; L456-K460 WeakPolarHBondContact O-CG 3.3Å; L456-K460 PolarHBondContact O-N 3.2Å
457D90Very high88.2Confident87 Ų8794 Ų9447%0.46547%0.466SS..Hα-helixtrans-63.3-42.4176.7-65-32.5000112.5S453 T459 K460 A461S453-D457 PolarHBondContact O-N 2.86Å; D457-T459 VanDerWaalsContact C-N 3.32Å; D457-T459 PolarHBondContact O-N 2.97Å; D457-K460 PolarHBondContact O-N 3.38Å; D457-A461 WeakPolarHBondContact O-CB 3.33Å; D457-A461 PolarHBondContact O-N 3.38Å
458K93.4Very high88.7Confident151 Ų15192.6 Ų92.666%0.65747%0.467SS*.Hα-helixtrans-61.6-38.6173.7-75.1176-178.4-1770112.6T454 L456 S462T454-K458 VanDerWaalsContact O-CG 3.27Å; T454-K458 WeakPolarHBondContact O-CG 3.46Å; T454-K458 PolarHBondContact O-N 2.91Å; T454-K458 VanDerWaalsContact O-N 3.16Å; L456-K458 PolarHBondContact O-N 2.74Å; K458-S462 WeakPolarHBondContact O-CB 3.44Å; K458-S462 PolarHBondContact O-N 2.9Å; K458-S462 PolarHBondContact O-OG 2.99Å
459T92.5Very high89.2Confident16 Ų1685.5 Ų85.510%0.09844%0.444CS..Hα-helixtrans-69.2-43.4178-55.60000110.5L443 L446 K455 L456 D457 S462 I463L443-T459 HydrophobicContact CB-CG2 3.92Å; L443-T459 HydrophobicContact CD1-CG2 4.2Å; L446-T459 WeakPolarHBondContact CD1-OG1 3.35Å; K455-T459 WeakPolarHBondContact O-CB 3.43Å; K455-T459 PolarHBondContact O-N 2.88Å; K455-T459 PolarHBondContact O-OG1 3.5Å; L456-T459 PolarHBondContact O-N 2.87Å; D457-T459 VanDerWaalsContact C-N 3.32Å; D457-T459 PolarHBondContact O-N 2.97Å; T459-S462 WeakPolarHBondContact O-CB 3.23Å; T459-S462 PolarHBondContact O-N 3.49Å; T459-I463 HydrophobicContact CG2-CD1 4.06Å; T459-I463 WeakPolarHBondContact O-CG1 3.3Å; T459-I463 PolarHBondContact O-N 3.02Å
460K93.4Very high89.8Confident88 Ų8878.1 Ų78.138%0.38342%0.419SS..Hα-helixtrans-60-44.9173.5-73.7-178.6175.7174.10112.3L443 L456 D457 S462 I463 N464L443-K460 HydrophobicContact CD1-CG 3.9Å; L443-K460 HydrophobicContact CD2-CG 4.41Å; L456-K460 HydrophobicContact CD2-CD 3.7Å; L456-K460 HydrophobicContact CD2-CG 4.31Å; L456-K460 VanDerWaalsContact CD2-NZ 3.33Å; L456-K460 WeakPolarHBondContact O-CG 3.3Å; L456-K460 PolarHBondContact O-N 3.2Å; D457-K460 PolarHBondContact O-N 3.38Å; K460-S462 VanDerWaalsContact C-N 3.31Å; K460-S462 PolarHBondContact O-N 3.4Å; K460-I463 PolarHBondContact O-N 3.49Å; K460-N464 PolarHBondContact O-N 3.09Å
461A94.3Very high90.9Very high61 Ų6180.3 Ų80.350%0.50441%0.413SS..Hα-helixtrans-61-40175.200000112.2D457 N464 K465D457-A461 WeakPolarHBondContact O-CB 3.33Å; D457-A461 PolarHBondContact O-N 3.38Å; A461-N464 PolarHBondContact O-N 3.44Å; A461-K465 PolarHBondContact O-N 3.28Å
462S94.4Very high92.2Very high43 Ų4373.8 Ų73.830%0.30140%0.398SS..Hα-helixtrans-65.6-40.7175.8-570000112.2K458 T459 K460 K465 L466K458-S462 WeakPolarHBondContact O-CB 3.44Å; K458-S462 PolarHBondContact O-N 2.9Å; K458-S462 PolarHBondContact O-OG 2.99Å; T459-S462 WeakPolarHBondContact O-CB 3.23Å; T459-S462 PolarHBondContact O-N 3.49Å; K460-S462 VanDerWaalsContact C-N 3.31Å; K460-S462 PolarHBondContact O-N 3.4Å; S462-K465 PolarHBondContact O-N 3.28Å; S462-L466 WeakPolarHBondContact O-CG 3.44Å; S462-L466 PolarHBondContact O-N 3.46Å
463I95.1Very high92.9Very high8 Ų871.8 Ų71.84%0.04139%0.388CS..Hα-helixtrans-62.2-48.5175.7-72.3162.9000110.3K439 L440 L443 T459 K460 K465 L466 Q467K439-I463 HydrophobicContact CB-CD1 4.45Å; K439-I463 HydrophobicContact CB-CG1 3.76Å; L440-I463 HydrophobicContact CD2-CD1 4.08Å; L440-I463 HydrophobicContact CD2-CG2 4.22Å; L443-I463 HydrophobicContact CB-CD1 3.78Å; L443-I463 HydrophobicContact CD2-CD1 3.61Å; L443-I463 HydrophobicContact CG-CD1 4.2Å; T459-I463 HydrophobicContact CG2-CD1 4.06Å; T459-I463 WeakPolarHBondContact O-CG1 3.3Å; T459-I463 PolarHBondContact O-N 3.02Å; K460-I463 PolarHBondContact O-N 3.49Å; I463-K465 VanDerWaalsContact C-N 3.29Å; I463-K465 PolarHBondContact O-N 3.45Å; I463-L466 PolarHBondContact O-N 2.93Å; I463-L466 VanDerWaalsContact O-N 3.11Å; I463-Q467 HydrophobicContact CG2-CG 4.35Å; I463-Q467 WeakPolarHBondContact O-CG 3.33Å; I463-Q467 PolarHBondContact O-N 3.45Å
464N95.4Very high93.2Very high94 Ų9469.5 Ų69.550%0.50337%0.372SS..Hα-helixtrans-58.7-41.3177.4-70.9-14.4000111.7K460 A461 Q467 S468K460-N464 PolarHBondContact O-N 3.09Å; A461-N464 PolarHBondContact O-N 3.44Å; N464-Q467 PolarHBondContact O-N 2.87Å; N464-S468 PolarHBondContact O-N 3.31Å; N464-S468 PolarHBondContact O-OG 2.91Å
465K95.7Very high93.4Very high146 Ų14671 Ų7164%0.63537%0.372SS*.Hα-helixtrans-60.9-46.5174.4-176.7-178.9178.5-1770111.8A461 S462 I463 Q467 S468 L469A461-K465 PolarHBondContact O-N 3.28Å; S462-K465 PolarHBondContact O-N 3.28Å; I463-K465 VanDerWaalsContact C-N 3.29Å; I463-K465 PolarHBondContact O-N 3.45Å; K465-Q467 VanDerWaalsContact C-N 3.33Å; K465-S468 PolarHBondContact O-N 2.76Å; K465-L469 HydrophobicContact CG-CD1 4.4Å; K465-L469 WeakPolarHBondContact O-CG 3.22Å; K465-L469 PolarHBondContact O-N 3.01Å
466L95.9Very high93.5Very high9 Ų967.7 Ų67.75%0.04736%0.364CS..Hα-helixtrans-65.1-36.7178.1-71.7168.2000111.9V432 E435 H436 K439 S462 I463 L469 I470V432-L466 HydrophobicContact CG1-CD2 3.9Å; E435-L466 HydrophobicContact CB-CD1 4.36Å; E435-L466 HydrophobicContact CB-CD2 4.21Å; E435-L466 HydrophobicContact CG-CD1 3.93Å; E435-L466 HydrophobicContact CG-CD2 4.14Å; H436-L466 HydrophobicContact CB-CB 4.04Å; H436-L466 HydrophobicContact CB-CD1 4.39Å; K439-L466 HydrophobicContact CB-CD1 4.16Å; K439-L466 HydrophobicContact CG-CD1 3.6Å; S462-L466 WeakPolarHBondContact O-CG 3.44Å; S462-L466 PolarHBondContact O-N 3.46Å; I463-L466 PolarHBondContact O-N 2.93Å; I463-L466 VanDerWaalsContact O-N 3.11Å; L466-L469 HydrophobicContact CD2-CD1 4.4Å; L466-L469 PolarHBondContact O-N 3.45Å; L466-I470 VanDerWaalsContact O-CG1 3.3Å; L466-I470 WeakPolarHBondContact O-CG1 3.45Å; L466-I470 PolarHBondContact O-N 3.46Å
467Q96.2Very high93.5Very high83 Ų8366.2 Ų66.239%0.38836%0.357SS..Hα-helixtrans-60.7-46.2173.2-72.7175.3-14.700111.8H436 I463 N464 K465 L469 I470 I471H436-Q467 WeakPolarHBondContact NE2-CG 3.32Å; H436-Q467 PolarHBondContact NE2-NE2 2.9Å; I463-Q467 HydrophobicContact CG2-CG 4.35Å; I463-Q467 WeakPolarHBondContact O-CG 3.33Å; I463-Q467 PolarHBondContact O-N 3.45Å; N464-Q467 PolarHBondContact O-N 2.87Å; K465-Q467 VanDerWaalsContact C-N 3.33Å; Q467-L469 VanDerWaalsContact C-N 3.31Å; Q467-L469 PolarHBondContact O-N 3.26Å; Q467-I470 PolarHBondContact O-N 2.84Å; Q467-I471 WeakPolarHBondContact O-CG1 3.3Å; Q467-I471 PolarHBondContact O-N 2.86Å; Q467-I471 VanDerWaalsContact O-N 3.12Å
468S95.9Very high93.6Very high72 Ų7265.6 Ų65.650%0.50336%0.357SS..Hα-helixtrans-60.2-41.1173.8-56.40000111.9N464 K465 I471 V472N464-S468 PolarHBondContact O-N 3.31Å; N464-S468 PolarHBondContact O-OG 2.91Å; K465-S468 PolarHBondContact O-N 2.76Å; S468-I471 PolarHBondContact O-N 2.72Å; S468-V472 WeakPolarHBondContact O-CG2 3.27Å; S468-V472 PolarHBondContact O-N 2.91Å
469L95.4Very high93.4Very high71 Ų7162.6 Ų62.637%0.37235%0.351SS..Hα-helixtrans-66.5-37.1176.8-71.9172.2000113V432 K465 L466 Q467 I471 V472 T473V432-L469 HydrophobicContact CG1-CB 3.72Å; K465-L469 HydrophobicContact CG-CD1 4.4Å; K465-L469 WeakPolarHBondContact O-CG 3.22Å; K465-L469 PolarHBondContact O-N 3.01Å; L466-L469 HydrophobicContact CD2-CD1 4.4Å; L466-L469 PolarHBondContact O-N 3.45Å; Q467-L469 VanDerWaalsContact C-N 3.31Å; Q467-L469 PolarHBondContact O-N 3.26Å; L469-I471 VanDerWaalsContact C-N 3.31Å; L469-I471 PolarHBondContact O-N 3.44Å; L469-V472 PolarHBondContact O-N 3.21Å; L469-T473 WeakPolarHBondContact O-CB 3.48Å; L469-T473 WeakPolarHBondContact O-CG2 3.43Å; L469-T473 PolarHBondContact O-N 3.37Å; L469-T473 PolarHBondContact O-OG1 2.87Å
470I93.4Very high93.3Very high33 Ų3362 Ų6217%0.16935%0.347CS..Hα-helixtrans-60.6-43.9173.5-70.6167000110.1V432 K433 H436 L466 Q467 T473 S474V432-I470 HydrophobicContact CB-CG1 4.38Å; V432-I470 HydrophobicContact CG1-CG1 3.71Å; K433-I470 HydrophobicContact CG-CD1 4.12Å; K433-I470 HydrophobicContact CG-CG1 4.11Å; K433-I470 HydrophobicContact CG-CG2 4.33Å; H436-I470 HydrophobicContact CB-CD1 3.61Å; L466-I470 VanDerWaalsContact O-CG1 3.3Å; L466-I470 WeakPolarHBondContact O-CG1 3.45Å; L466-I470 PolarHBondContact O-N 3.46Å; Q467-I470 PolarHBondContact O-N 2.84Å; I470-T473 WeakPolarHBondContact CA-OG1 3.41Å; I470-T473 PolarHBondContact O-OG1 2.97Å; I470-S474 WeakPolarHBondContact O-CB 3.31Å; I470-S474 PolarHBondContact O-N 3.43Å
471I93.9Very high93.2Very high113 Ų11359.8 Ų59.858%0.57934%0.343SS*.Hα-helixtrans-62-49.1178-65.7166.3000110.4Q467 S468 L469 S474 Q475Q467-I471 WeakPolarHBondContact O-CG1 3.3Å; Q467-I471 PolarHBondContact O-N 2.86Å; Q467-I471 VanDerWaalsContact O-N 3.12Å; S468-I471 PolarHBondContact O-N 2.72Å; L469-I471 VanDerWaalsContact C-N 3.31Å; L469-I471 PolarHBondContact O-N 3.44Å; I471-S474 PolarHBondContact O-N 3.39Å; I471-Q475 WeakPolarHBondContact O-CB 3.27Å; I471-Q475 PolarHBondContact O-N 3.25Å
472V94.5Very high93Very high87 Ų8760 Ų6053%0.52734%0.341SS..Hα-helixtrans-63.1-47.1-179.2173.20000111.7S468 L469 Q475 A476S468-V472 WeakPolarHBondContact O-CG2 3.27Å; S468-V472 PolarHBondContact O-N 2.91Å; L469-V472 PolarHBondContact O-N 3.21Å; V472-Q475 PolarHBondContact O-N 3.14Å; V472-A476 PolarHBondContact O-N 3.19Å
473T91.6Very high92.8Very high24 Ų2458.5 Ų58.515%0.14733%0.331CS..Hα-helixtrans-68.1-34.8178.852.70000112.2V432 L469 I470 A476 A477V432-T473 HydrophobicContact CG2-CG2 4.49Å; L469-T473 WeakPolarHBondContact O-CB 3.48Å; L469-T473 WeakPolarHBondContact O-CG2 3.43Å; L469-T473 PolarHBondContact O-N 3.37Å; L469-T473 PolarHBondContact O-OG1 2.87Å; I470-T473 WeakPolarHBondContact CA-OG1 3.41Å; I470-T473 PolarHBondContact O-OG1 2.97Å; T473-A476 PolarHBondContact O-N 3.05Å; T473-A477 PolarHBondContact O-N 3.43Å; T473-A477 VanDerWaalsContact O-N 3.08Å
474S90.7Very high92.6Very high37 Ų3758.2 Ų58.226%0.25933%0.33SS..Hα-helixtrans-64.5-43.7171.8-167.10000111.6I470 I471 A476 A477 T478I470-S474 WeakPolarHBondContact O-CB 3.31Å; I470-S474 PolarHBondContact O-N 3.43Å; I471-S474 PolarHBondContact O-N 3.39Å; S474-A476 VanDerWaalsContact C-N 3.34Å; S474-A476 PolarHBondContact O-N 2.99Å; S474-A477 PolarHBondContact O-N 3.24Å; S474-T478 PolarHBondContact O-N 2.85Å; S474-T478 PolarHBondContact O-OG1 2.89Å
475Q92.3Very high92.4Very high128 Ų12856.2 Ų56.260%0.59832%0.321SS*.Hα-helixtrans-64.1-38.8177.3-175.1178.6100112I471 V472 T478 T479I471-Q475 WeakPolarHBondContact O-CB 3.27Å; I471-Q475 PolarHBondContact O-N 3.25Å; V472-Q475 PolarHBondContact O-N 3.14Å; Q475-T478 PolarHBondContact O-N 3.04Å; Q475-T479 WeakPolarHBondContact O-CB 3.3Å; Q475-T479 PolarHBondContact O-N 3.05Å; Q475-T479 PolarHBondContact O-OG1 3.12Å
476A89.1Confident92.1Very high34 Ų3456.6 Ų56.628%0.28132%0.318SS..Hα-helixtrans-60.1-52.3174.100000111.1E425 V472 T473 S474 T478 T479 T480E425-A476 HydrophobicContact CG-CB 4.43Å; E425-A476 VanDerWaalsContact OE2-C 3.27Å; E425-A476 VanDerWaalsContact OE2-O 3.07Å; V472-A476 PolarHBondContact O-N 3.19Å; T473-A476 PolarHBondContact O-N 3.05Å; S474-A476 VanDerWaalsContact C-N 3.34Å; S474-A476 PolarHBondContact O-N 2.99Å; A476-T478 VanDerWaalsContact C-N 3.35Å; A476-T478 PolarHBondContact O-N 3.34Å; A476-T479 WeakPolarHBondContact O-CB 3.38Å; A476-T479 PolarHBondContact O-N 3.2Å; A476-T479 VanDerWaalsContact O-N 3.08Å; A476-T480 PolarHBondContact O-N 2.84Å
477A91.3Very high91.9Very high5 Ų556.8 Ų56.84%0.04132%0.32CS..Hα-helixtrans-59.8-41.1178.400000112.9E425 V426 T473 S474 S481E425-A477 HydrophobicContact CB-CB 4.27Å; E425-A477 WeakPolarHBondContact OE2-CA 3.31Å; E425-A477 PolarHBondContact OE2-N 2.95Å; V426-A477 HydrophobicContact CG2-CB 4.17Å; T473-A477 PolarHBondContact O-N 3.43Å; T473-A477 VanDerWaalsContact O-N 3.08Å; S474-A477 PolarHBondContact O-N 3.24Å; A477-S481 VanDerWaalsContact O-CB 3.27Å; A477-S481 WeakPolarHBondContact O-CB 3.42Å; A477-S481 PolarHBondContact O-N 3.5Å
478T90.5Very high91.7Very high75 Ų7553.2 Ų53.246%0.4630%0.303SS..Hα-helixtrans-63.3-42.9174.6-59.30000111.3S474 Q475 A476 S481 S482S474-T478 PolarHBondContact O-N 2.85Å; S474-T478 PolarHBondContact O-OG1 2.89Å; Q475-T478 PolarHBondContact O-N 3.04Å; A476-T478 VanDerWaalsContact C-N 3.35Å; A476-T478 PolarHBondContact O-N 3.34Å; T478-S481 PolarHBondContact O-N 3.04Å; T478-S482 WeakPolarHBondContact O-CB 3.45Å; T478-S482 PolarHBondContact O-N 3.2Å; T478-S482 PolarHBondContact O-OG 3.41Å; T478-S482 VanDerWaalsContact O-OG 3.12Å
479T90Very high91.4Very high88 Ų8850.7 Ų50.754%0.5428%0.284SS..Hα-helixtrans-60.7-48.6179-59.10000111.3Q475 A476 S482 A483Q475-T479 WeakPolarHBondContact O-CB 3.3Å; Q475-T479 PolarHBondContact O-N 3.05Å; Q475-T479 PolarHBondContact O-OG1 3.12Å; A476-T479 WeakPolarHBondContact O-CB 3.38Å; A476-T479 PolarHBondContact O-N 3.2Å; A476-T479 VanDerWaalsContact O-N 3.08Å; T479-S482 PolarHBondContact O-N 3.26Å; T479-A483 PolarHBondContact O-N 3.25Å
480T90.7Very high91.1Very high2 Ų252.2 Ų52.21%0.01229%0.292CS..Hα-helixtrans-63.7-42.3175.9-670000111.7W418 K421 L422 E425 A476 S482 A483 I484W418-T480 HydrophobicContact CE3-CG2 3.83Å; W418-T480 HydrophobicContact CZ3-CG2 4.36Å; K421-T480 HydrophobicContact CB-CG2 4.34Å; K421-T480 HydrophobicContact CG-CG2 4.29Å; L422-T480 HydrophobicContact CB-CG2 3.79Å; L422-T480 HydrophobicContact CD1-CG2 4.16Å; E425-T480 VanDerWaalsContact CD-OG1 3.24Å; E425-T480 PolarHBondContact OE1-OG1 3.27Å; E425-T480 WeakPolarHBondContact OE2-CB 3.1Å; E425-T480 PolarHBondContact OE2-OG1 3.44Å; A476-T480 PolarHBondContact O-N 2.84Å; T480-S482 VanDerWaalsContact C-N 3.34Å; T480-S482 PolarHBondContact O-N 3.45Å; T480-A483 WeakPolarHBondContact O-CB 3.48Å; T480-A483 PolarHBondContact O-N 3.4Å; T480-I484 HydrophobicContact CG2-CD1 4.26Å; T480-I484 WeakPolarHBondContact O-CG1 3.37Å; T480-I484 PolarHBondContact O-N 2.97Å
481S91.4Very high91Very high42 Ų4251.5 Ų51.529%0.29429%0.288SS..Hα-helixtrans-61.8-40.9176.1-171.70000112.1A477 T478 A483 I484 V485A477-S481 VanDerWaalsContact O-CB 3.27Å; A477-S481 WeakPolarHBondContact O-CB 3.42Å; A477-S481 PolarHBondContact O-N 3.5Å; T478-S481 PolarHBondContact O-N 3.04Å; S481-A483 VanDerWaalsContact C-N 3.34Å; S481-I484 PolarHBondContact O-N 3.43Å; S481-V485 WeakPolarHBondContact O-CG2 3.48Å; S481-V485 PolarHBondContact O-N 2.84Å
482S89.1Confident90.9Very high65 Ų6546.1 Ų46.146%0.45526%0.26SS..Hα-helixtrans-65.4-35.8174.6-65.80000112.3T478 T479 T480 V485 R486T478-S482 WeakPolarHBondContact O-CB 3.45Å; T478-S482 PolarHBondContact O-N 3.2Å; T478-S482 PolarHBondContact O-OG 3.41Å; T478-S482 VanDerWaalsContact O-OG 3.12Å; T479-S482 PolarHBondContact O-N 3.26Å; T480-S482 VanDerWaalsContact C-N 3.34Å; T480-S482 PolarHBondContact O-N 3.45Å; S482-V485 PolarHBondContact O-N 2.96Å; S482-R486 WeakPolarHBondContact O-CG 3.24Å; S482-R486 PolarHBondContact O-N 3.43Å
483A90.1Very high90.7Very high12 Ų1242.1 Ų42.110%0.09924%0.236CC..Hα-helixtrans-63.8-43172.900000111.8W418 T479 T480 S481 V485 R486 V487W418-A483 HydrophobicContact CD2-CB 4.24Å; W418-A483 HydrophobicContact CE3-CB 4.32Å; W418-A483 HydrophobicContact CH2-CB 4.07Å; W418-A483 HydrophobicContact CZ2-CB 4.02Å; W418-A483 HydrophobicContact CZ3-CB 4.21Å; T479-A483 PolarHBondContact O-N 3.25Å; T480-A483 WeakPolarHBondContact O-CB 3.48Å; T480-A483 PolarHBondContact O-N 3.4Å; S481-A483 VanDerWaalsContact C-N 3.34Å; A483-V485 PolarHBondContact O-N 3.2Å; A483-R486 PolarHBondContact O-N 3.39Å; A483-V487 WeakPolarHBondContact O-CG2 3.32Å; A483-V487 PolarHBondContact O-N 2.89Å
484I91.4Very high90.7Very high2 Ų244.2 Ų44.21%0.0125%0.251CS..Hα-helixtrans-59.8-46.9174.6-67.5164.6000110.9L415 W418 E419 L422 T480 S481 R486 V487 R488 W575L415-I484 HydrophobicContact CD2-CG2 4.16Å; W418-I484 HydrophobicContact CB-CD1 4.08Å; W418-I484 HydrophobicContact CB-CG1 3.52Å; W418-I484 HydrophobicContact CG-CG1 4.32Å; E419-I484 HydrophobicContact CG-CD1 4.41Å; L422-I484 HydrophobicContact CB-CD1 4.02Å; L422-I484 HydrophobicContact CD2-CD1 3.76Å; L422-I484 HydrophobicContact CG-CD1 4.42Å; T480-I484 HydrophobicContact CG2-CD1 4.26Å; T480-I484 WeakPolarHBondContact O-CG1 3.37Å; T480-I484 PolarHBondContact O-N 2.97Å; S481-I484 PolarHBondContact O-N 3.43Å; I484-R486 VanDerWaalsContact C-N 3.31Å; I484-R486 PolarHBondContact O-N 3.34Å; I484-V487 PolarHBondContact O-N 3.19Å; I484-R488 VanDerWaalsContact O-CB 3.31Å; I484-R488 WeakPolarHBondContact O-CB 3.47Å; I484-R488 PolarHBondContact O-N 2.94Å; I484-W575 HydrophobicContact CG2-CZ2 4.02Å
485V90.7Very high90.7Very high52 Ų5243.6 Ų43.632%0.31524%0.244SC..Hα-helixtrans-58.9-43.4177.1168.50000111S481 S482 A483 R488 D489S481-V485 WeakPolarHBondContact O-CG2 3.48Å; S481-V485 PolarHBondContact O-N 2.84Å; S482-V485 PolarHBondContact O-N 2.96Å; A483-V485 PolarHBondContact O-N 3.2Å; V485-R488 PolarHBondContact O-N 3.38Å; V485-D489 WeakPolarHBondContact O-CB 3.38Å; V485-D489 PolarHBondContact O-N 2.91Å
486R90.2Very high90.8Very high154 Ų15437.5 Ų37.558%0.58122%0.215SC*.Hα-helixtrans-61.9-44.8176.8-79.417755.9-143.4-6.7112.9S482 A483 I484 N490S482-R486 WeakPolarHBondContact O-CG 3.24Å; S482-R486 PolarHBondContact O-N 3.43Å; A483-R486 PolarHBondContact O-N 3.39Å; I484-R486 VanDerWaalsContact C-N 3.31Å; I484-R486 PolarHBondContact O-N 3.34Å; R486-N490 WeakPolarHBondContact O-CB 3.46Å; R486-N490 PolarHBondContact O-N 2.91Å; R486-N490 PolarHBondContact O-ND2 3.19Å
487V91Very high90.9Very high13 Ų1336.1 Ų36.18%0.07920%0.203CC..Hα-helixtrans-68.7-40.2179.1177.10000110.3T411 L415 A483 I484 E491 L492T411-V487 HydrophobicContact CG2-CG1 3.79Å; L415-V487 HydrophobicContact CD1-CG1 4.26Å; L415-V487 HydrophobicContact CD2-CB 3.85Å; L415-V487 HydrophobicContact CD2-CG1 3.68Å; L415-V487 HydrophobicContact CG-CB 4.43Å; L415-V487 HydrophobicContact CG-CG1 3.7Å; A483-V487 WeakPolarHBondContact O-CG2 3.32Å; A483-V487 PolarHBondContact O-N 2.89Å; I484-V487 PolarHBondContact O-N 3.19Å; V487-E491 HydrophobicContact CG1-CB 4.43Å; V487-E491 WeakPolarHBondContact O-CA 3.29Å; V487-E491 VanDerWaalsContact O-CB 3.28Å; V487-E491 WeakPolarHBondContact O-CB 3.25Å; V487-E491 PolarHBondContact O-N 3.29Å; V487-L492 PolarHBondContact O-N 3.48Å
488R91.8Very high90.9Very high9 Ų940.9 Ų40.93%0.03423%0.225CC..Iπ-helixtrans-60.4-54.6175.9-176.7-169.266.8-165.7-3.2111.9I484 V485 L492 A493 W575 L576 T579 S594 S597 L600I484-R488 VanDerWaalsContact O-CB 3.31Å; I484-R488 WeakPolarHBondContact O-CB 3.47Å; I484-R488 PolarHBondContact O-N 2.94Å; V485-R488 PolarHBondContact O-N 3.38Å; R488-L492 WeakPolarHBondContact O-CB 3.32Å; R488-L492 PolarHBondContact O-N 3.05Å; R488-A493 PolarHBondContact O-N 3.02Å; R488-W575 HydrophobicContact CB-CH2 3.92Å; R488-W575 HydrophobicContact CG-CH2 3.63Å; R488-W575 HydrophobicContact CG-CZ3 3.99Å; R488-L576 HydrophobicContact CG-CD2 4.21Å; R488-T579 PolarHBondContact NH1-OG1 3.43Å; R488-S594 PolarHBondContact NH2-OG 3.46Å; R488-S594 VanDerWaalsContact NH2-OG 3.12Å; R488-S597 VanDerWaalsContact CZ-OG 3.23Å; R488-S597 PolarHBondContact NH1-OG 3.15Å; R488-L600 HydrophobicContact CG-CD2 4.01Å
489D89.9Confident91Very high19 Ų1937.5 Ų37.510%0.10220%0.204CC..Iπ-helixtrans-76.3-37.3-170.8-67.41.7000111.3V485 S594 I596V485-D489 WeakPolarHBondContact O-CB 3.38Å; V485-D489 PolarHBondContact O-N 2.91Å; D489-S594 PolarHBondContact OD2-OG 3.1Å; D489-I596 HydrophobicContact CB-CB 4.42Å; D489-I596 HydrophobicContact CB-CD1 4.14Å; D489-I596 HydrophobicContact CB-CG2 3.89Å
490N89.2Confident91.2Very high103 Ų10333.3 Ų33.355%0.55118%0.178SC*.Iπ-helixtrans-94.5-20.2-175.3-57.5-46.9000114.9R486R486-N490 WeakPolarHBondContact O-CB 3.46Å; R486-N490 PolarHBondContact O-N 2.91Å; R486-N490 PolarHBondContact O-ND2 3.19Å
491E91.4Very high91.3Very high17 Ų1736.4 Ų36.48%0.07919%0.191CC..Iπ-helixtrans-120.9-54.7-175.9-50.6-172.7171.400111.7K406 T411 R414 V487 P494 Q495K406-E491 HydrophobicContact CD-CG 4.05Å; K406-E491 VanDerWaalsContact CE-OE1 3.32Å; K406-E491 WeakPolarHBondContact CE-OE1 3.39Å; K406-E491 IonicContact NZ-OE1 3.94Å; K406-E491 PolarHBondContact NZ-OE1 3.32Å; T411-E491 HydrophobicContact CG2-CB 3.86Å; R414-E491 IonicContact CZ-OE2 3.12Å; R414-E491 VanDerWaalsContact NH2-CD 3.34Å; R414-E491 IonicContact NH2-OE1 2.99Å; R414-E491 PolarHBondContact NH2-OE1 2.7Å; R414-E491 IonicContact NH2-OE2 3.11Å; R414-E491 PolarHBondContact NH2-OE2 3.28Å; V487-E491 HydrophobicContact CG1-CB 4.43Å; V487-E491 WeakPolarHBondContact O-CA 3.29Å; V487-E491 VanDerWaalsContact O-CB 3.28Å; V487-E491 WeakPolarHBondContact O-CB 3.25Å; V487-E491 PolarHBondContact O-N 3.29Å; E491-P494 WeakPolarHBondContact O-CD 3.23Å; E491-P494 WeakPolarHBondContact O-CG 3.27Å; E491-Q495 WeakPolarHBondContact O-CB 3.02Å; E491-Q495 WeakPolarHBondContact O-CG 3.47Å; E491-Q495 PolarHBondContact O-N 3.03Å
492L92.2Very high91.4Very high0 Ų035.5 Ų35.50%019%0.186CC..Iπ-helixtrans-68.8-44.6-175.2-176.566.7000112.4T411 L412 L415 V487 R488 Q495 L496 W575T411-L492 HydrophobicContact CG2-CB 4.27Å; L412-L492 HydrophobicContact CD2-CD1 3.82Å; L415-L492 HydrophobicContact CD1-CB 4.28Å; L415-L492 HydrophobicContact CD1-CD2 3.79Å; L415-L492 HydrophobicContact CD1-CG 4.43Å; V487-L492 PolarHBondContact O-N 3.48Å; R488-L492 WeakPolarHBondContact O-CB 3.32Å; R488-L492 PolarHBondContact O-N 3.05Å; L492-Q495 PolarHBondContact O-N 3.44Å; L492-L496 HydrophobicContact CD1-CD1 4.05Å; L492-L496 HydrophobicContact CD1-CD2 4.27Å; L492-L496 HydrophobicContact CD1-CG 3.92Å; L492-L496 HydrophobicContact CD2-CD1 4.23Å; L492-L496 HydrophobicContact CG-CD1 3.78Å; L492-L496 HydrophobicContact CG-CG 4.06Å; L492-L496 WeakPolarHBondContact O-CG 3.37Å; L492-L496 PolarHBondContact O-N 2.71Å; L492-W575 HydrophobicContact CD2-CE3 4.47Å; L492-W575 HydrophobicContact CD2-CH2 4.04Å; L492-W575 HydrophobicContact CD2-CZ3 3.55Å
493A90.8Very high91.6Very high3 Ų332.7 Ų32.73%0.02517%0.166CC..Hα-helixtrans-55.4-54.6-179.200000113R488 Q495 L496 V497 I596 L600 V766R488-A493 PolarHBondContact O-N 3.02Å; A493-Q495 VanDerWaalsContact C-N 3.34Å; A493-Q495 PolarHBondContact O-N 3.2Å; A493-L496 PolarHBondContact O-N 2.85Å; A493-V497 WeakPolarHBondContact O-CG2 3.4Å; A493-V497 PolarHBondContact O-N 3.28Å; A493-V497 VanDerWaalsContact O-N 3.16Å; A493-I596 HydrophobicContact CB-CG2 4.37Å; A493-L600 HydrophobicContact CB-CD1 4.04Å; A493-L600 HydrophobicContact CB-CD2 3.97Å; A493-V766 HydrophobicContact CB-CG1 4.45Å
494P90.6Very high91.8Very high69 Ų6932.2 Ų32.245%0.44816%0.162SC..Hα-helixtrans-64.4-36.7177.723.8-33.1000112.6E491 L496 V497 E498E491-P494 WeakPolarHBondContact O-CD 3.23Å; E491-P494 WeakPolarHBondContact O-CG 3.27Å; P494-L496 PolarHBondContact O-N 3.42Å; P494-V497 PolarHBondContact O-N 3.42Å; P494-E498 WeakPolarHBondContact O-CB 3.42Å; P494-E498 PolarHBondContact O-N 3.44Å
495Q91.7Very high92Very high24 Ų2435.3 Ų35.311%0.11218%0.184CC..Hα-helixtrans-63.5-39.5177-74.4174.8200112.7K406 H408 T411 E491 L492 A493 E498 L499K406-Q495 PolarHBondContact O-NE2 2.92Å; H408-Q495 PolarHBondContact ND1-OE1 3.13Å; T411-Q495 PolarHBondContact OG1-NE2 2.91Å; T411-Q495 PolarHBondContact OG1-OE1 3.41Å; E491-Q495 WeakPolarHBondContact O-CB 3.02Å; E491-Q495 WeakPolarHBondContact O-CG 3.47Å; E491-Q495 PolarHBondContact O-N 3.03Å; L492-Q495 PolarHBondContact O-N 3.44Å; A493-Q495 VanDerWaalsContact C-N 3.34Å; A493-Q495 PolarHBondContact O-N 3.2Å; Q495-E498 PolarHBondContact O-N 2.84Å; Q495-L499 VanDerWaalsContact O-CB 3.27Å; Q495-L499 WeakPolarHBondContact O-CB 3.31Å; Q495-L499 PolarHBondContact O-N 3.3Å
496L92.7Very high92.2Very high0 Ų033 Ų330%017%0.17CC..Hα-helixtrans-69.3-38.8177.8-71.2178.3000112.1L492 A493 P494 L499 C500 Y568 L572 L600 F603L492-L496 HydrophobicContact CD1-CD1 4.05Å; L492-L496 HydrophobicContact CD1-CD2 4.27Å; L492-L496 HydrophobicContact CD1-CG 3.92Å; L492-L496 HydrophobicContact CD2-CD1 4.23Å; L492-L496 HydrophobicContact CG-CD1 3.78Å; L492-L496 HydrophobicContact CG-CG 4.06Å; L492-L496 WeakPolarHBondContact O-CG 3.37Å; L492-L496 PolarHBondContact O-N 2.71Å; A493-L496 PolarHBondContact O-N 2.85Å; P494-L496 PolarHBondContact O-N 3.42Å; L496-L499 PolarHBondContact O-N 3.19Å; L496-C500 WeakPolarHBondContact O-CB 3.46Å; L496-C500 PolarHBondContact O-N 3.44Å; L496-Y568 HydrophobicContact CD2-CE1 4.4Å; L496-L572 HydrophobicContact CD1-CD1 4.06Å; L496-L572 HydrophobicContact CD2-CD1 3.55Å; L496-L572 HydrophobicContact CG-CD1 4.48Å; L496-L600 HydrophobicContact CD1-CD1 4.16Å; L496-F603 HydrophobicContact CB-CE1 4.45Å
497V91.7Very high92.5Very high4 Ų425.8 Ų25.82%0.02414%0.142CC..Hα-helixtrans-63.8-49174.1173.60000109.8A493 P494 L499 C500 F501 F603 A763 V766A493-V497 WeakPolarHBondContact O-CG2 3.4Å; A493-V497 PolarHBondContact O-N 3.28Å; A493-V497 VanDerWaalsContact O-N 3.16Å; P494-V497 PolarHBondContact O-N 3.42Å; V497-L499 VanDerWaalsContact C-N 3.35Å; V497-L499 PolarHBondContact O-N 3.1Å; V497-C500 PolarHBondContact O-N 3.45Å; V497-F501 HydrophobicContact CG1-CD2 3.63Å; V497-F501 HydrophobicContact CG1-CE2 3.55Å; V497-F501 VanDerWaalsContact O-CD2 3.23Å; V497-F501 WeakPolarHBondContact O-CD2 3.34Å; V497-F501 PolarHBondContact O-N 3.4Å; V497-F603 HydrophobicContact CG2-CE1 4.3Å; V497-F603 HydrophobicContact CG2-CZ 4.34Å; V497-A763 HydrophobicContact CG1-CB 4.44Å; V497-V766 HydrophobicContact CG2-CB 4.05Å; V497-V766 HydrophobicContact CG2-CG1 3.8Å
498E91.6Very high92.7Very high106 Ų10630.2 Ų30.250%0.49516%0.158SC..Hα-helixtrans-56.4-46.4175.8-176.8177-172.400112.1L348 P494 Q495 C500 F501 A502L348-E498 HydrophobicContact CD1-CG 4.22Å; L348-E498 HydrophobicContact CD2-CG 4.26Å; P494-E498 WeakPolarHBondContact O-CB 3.42Å; P494-E498 PolarHBondContact O-N 3.44Å; Q495-E498 PolarHBondContact O-N 2.84Å; E498-C500 VanDerWaalsContact C-N 3.35Å; E498-C500 PolarHBondContact O-N 3.2Å; E498-F501 PolarHBondContact O-N 3.37Å; E498-A502 WeakPolarHBondContact O-CB 3.41Å; E498-A502 PolarHBondContact O-N 3.44Å
499L93.1Very high92.9Very high4 Ų432 Ų322%0.02117%0.172CC..Hα-helixtrans-60.3-42.9176.8-179.662.4000112V345 L348 L349 Q495 L496 V497 A502 L503 Y568 W607V345-L499 HydrophobicContact CG1-CD1 4.43Å; L348-L499 HydrophobicContact CB-CD1 4.32Å; L349-L499 HydrophobicContact CD2-CD1 3.85Å; L349-L499 HydrophobicContact CD2-CD2 4.09Å; L349-L499 HydrophobicContact CG-CD1 4.07Å; Q495-L499 VanDerWaalsContact O-CB 3.27Å; Q495-L499 WeakPolarHBondContact O-CB 3.31Å; Q495-L499 PolarHBondContact O-N 3.3Å; L496-L499 PolarHBondContact O-N 3.19Å; V497-L499 VanDerWaalsContact C-N 3.35Å; V497-L499 PolarHBondContact O-N 3.1Å; L499-A502 PolarHBondContact O-N 2.97Å; L499-L503 HydrophobicContact CD1-CD1 4.31Å; L499-L503 HydrophobicContact CD1-CG 4.43Å; L499-L503 HydrophobicContact CG-CD1 4.09Å; L499-L503 WeakPolarHBondContact O-CB 3.39Å; L499-L503 VanDerWaalsContact O-CG 3.31Å; L499-L503 WeakPolarHBondContact O-CG 3.37Å; L499-L503 PolarHBondContact O-N 2.87Å; L499-Y568 HydrophobicContact CD2-CE1 4.03Å; L499-W607 HydrophobicContact CD2-CH2 4.26Å; L499-W607 HydrophobicContact CG-CH2 4.24Å
500C93.9Very high93Very high0 Ų031.1 Ų31.10%017%0.167CC..Hα-helixtrans-65.2-41.4177.5-168.70000111.8L496 V497 E498 L503 L504 F603 W607 C760L496-C500 WeakPolarHBondContact O-CB 3.46Å; L496-C500 PolarHBondContact O-N 3.44Å; V497-C500 PolarHBondContact O-N 3.45Å; E498-C500 VanDerWaalsContact C-N 3.35Å; E498-C500 PolarHBondContact O-N 3.2Å; C500-L503 PolarHBondContact O-N 3.5Å; C500-L504 WeakPolarHBondContact O-CB 3.23Å; C500-L504 PolarHBondContact O-N 3.34Å; C500-F603 HydrophobicContact CB-CE2 4.5Å; C500-F603 HydrophobicContact CB-CZ 3.67Å; C500-W607 HydrophobicContact CB-CE3 4.2Å; C500-W607 HydrophobicContact CB-CH2 3.86Å; C500-W607 HydrophobicContact CB-CZ2 4.26Å; C500-W607 HydrophobicContact CB-CZ3 3.82Å; C500-C760 PolarHBondContact SG-SG 3.23Å
501F92.8Very high93.3Very high67 Ų6727.2 Ų27.229%0.29415%0.146SC..Hα-helixtrans-65.3-40.7174.5-85.6-74.5000112.3V497 E498 L504 S505 C760 A763V497-F501 HydrophobicContact CG1-CD2 3.63Å; V497-F501 HydrophobicContact CG1-CE2 3.55Å; V497-F501 VanDerWaalsContact O-CD2 3.23Å; V497-F501 WeakPolarHBondContact O-CD2 3.34Å; V497-F501 PolarHBondContact O-N 3.4Å; E498-F501 PolarHBondContact O-N 3.37Å; F501-L504 PolarHBondContact O-N 2.89Å; F501-S505 WeakPolarHBondContact O-CB 3.36Å; F501-S505 PolarHBondContact O-N 2.8Å; F501-C760 HydrophobicContact CD1-CB 4.24Å; F501-C760 HydrophobicContact CE1-CB 3.78Å; F501-C760 HydrophobicContact CZ-CB 3.94Å; F501-A763 HydrophobicContact CE2-CB 4.36Å
502A93Very high93.5Very high23 Ų2329.8 Ų29.819%0.1916%0.158CC..Hα-helixtrans-65-43.5176.600000111.6V345 L348 E498 L499 S505 M506V345-A502 HydrophobicContact CG2-CB 3.98Å; L348-A502 HydrophobicContact CD1-CB 3.34Å; E498-A502 WeakPolarHBondContact O-CB 3.41Å; E498-A502 PolarHBondContact O-N 3.44Å; L499-A502 PolarHBondContact O-N 2.97Å; A502-S505 PolarHBondContact O-N 3.01Å; A502-M506 WeakPolarHBondContact O-CB 3.39Å; A502-M506 PolarHBondContact O-N 3.4Å
503L94.2Very high93.7Very high6 Ų631.4 Ų31.43%0.03117%0.165CC..Hα-helixtrans-60.3-45.5173.2-77.3165.9000111.3V345 L499 C500 S505 M506 W507 W607 L756V345-L503 HydrophobicContact CG1-CD2 3.72Å; V345-L503 HydrophobicContact CG1-CG 4.24Å; V345-L503 HydrophobicContact CG2-CD2 4.18Å; V345-L503 HydrophobicContact CG2-CG 4.33Å; L499-L503 HydrophobicContact CD1-CD1 4.31Å; L499-L503 HydrophobicContact CD1-CG 4.43Å; L499-L503 HydrophobicContact CG-CD1 4.09Å; L499-L503 WeakPolarHBondContact O-CB 3.39Å; L499-L503 VanDerWaalsContact O-CG 3.31Å; L499-L503 WeakPolarHBondContact O-CG 3.37Å; L499-L503 PolarHBondContact O-N 2.87Å; C500-L503 PolarHBondContact O-N 3.5Å; L503-S505 PolarHBondContact O-N 2.96Å; L503-M506 HydrophobicContact CD2-CE 3.81Å; L503-M506 PolarHBondContact O-N 3.33Å; L503-W507 WeakPolarHBondContact O-CB 3.37Å; L503-W507 PolarHBondContact O-N 3.24Å; L503-W607 HydrophobicContact CD1-CH2 4.05Å; L503-W607 HydrophobicContact CD1-CZ2 3.55Å; L503-L756 HydrophobicContact CB-CD1 4.19Å
504L94.8Very high93.8Very high1 Ų131.3 Ų31.31%0.00516%0.164CC..Hα-helixtrans-60.8-43.9176.4174.758.1000111.8C500 F501 W507 R508 V753 L756 D757 C760C500-L504 WeakPolarHBondContact O-CB 3.23Å; C500-L504 PolarHBondContact O-N 3.34Å; F501-L504 PolarHBondContact O-N 2.89Å; L504-W507 PolarHBondContact O-N 3.41Å; L504-R508 HydrophobicContact CD1-CG 4.19Å; L504-R508 VanDerWaalsContact CG-CZ 3.46Å; L504-R508 WeakPolarHBondContact O-CB 3.28Å; L504-R508 VanDerWaalsContact O-CG 3.29Å; L504-R508 WeakPolarHBondContact O-CG 3.33Å; L504-R508 PolarHBondContact O-N 3.38Å; L504-V753 HydrophobicContact CD1-CG1 4.24Å; L504-L756 HydrophobicContact CB-CB 4.16Å; L504-L756 HydrophobicContact CD1-CB 3.85Å; L504-L756 HydrophobicContact CG-CB 4.48Å; L504-D757 HydrophobicContact CD1-CB 4.06Å; L504-D757 HydrophobicContact CD2-CB 4.42Å; L504-C760 HydrophobicContact CD2-CB 3.6Å; L504-C760 VanDerWaalsContact CD2-SG 3.55Å
505S94.6Very high94Very high67 Ų6732 Ų3247%0.46916%0.161SC..Hα-helixtrans-62-46.4176.3-1690000111.6F501 A502 L503 R508 S509F501-S505 WeakPolarHBondContact O-CB 3.36Å; F501-S505 PolarHBondContact O-N 2.8Å; A502-S505 PolarHBondContact O-N 3.01Å; L503-S505 PolarHBondContact O-N 2.96Å; S505-R508 PolarHBondContact O-N 3.4Å; S505-S509 PolarHBondContact O-N 3.36Å; S505-S509 PolarHBondContact O-OG 2.94Å
506M95.1Very high94.1Very high4 Ų431.6 Ų31.62%0.0216%0.159CC..Hα-helixtrans-58.4-51.4176.2175.5-17076.900111.2H38 G342 V345 A502 L503 R508 S509 M510H38-M506 PolarHBondContact NE2-SD 3.49Å; G342-M506 VanDerWaalsContact CA-SD 3.52Å; V345-M506 HydrophobicContact CB-SD 4.1Å; V345-M506 HydrophobicContact CG2-CB 3.92Å; V345-M506 HydrophobicContact CG2-CG 4.46Å; V345-M506 HydrophobicContact CG2-SD 3.85Å; A502-M506 WeakPolarHBondContact O-CB 3.39Å; A502-M506 PolarHBondContact O-N 3.4Å; L503-M506 HydrophobicContact CD2-CE 3.81Å; L503-M506 PolarHBondContact O-N 3.33Å; M506-R508 VanDerWaalsContact C-N 3.3Å; M506-R508 PolarHBondContact O-N 3.47Å; M506-S509 PolarHBondContact O-N 2.74Å; M506-M510 HydrophobicContact CE-CE 4.39Å; M506-M510 VanDerWaalsContact O-CB 3.28Å; M506-M510 WeakPolarHBondContact O-CB 3.34Å; M506-M510 PolarHBondContact O-N 3.24Å
507W95.7Very high94.1Very high2 Ų231.6 Ų31.61%0.00816%0.159CC..Hα-helixtrans-65.1-32.6-179.5-79.4110.5000112.5L503 L504 M510 N511 L561 I562 F748 V752 V753 L756L503-W507 WeakPolarHBondContact O-CB 3.37Å; L503-W507 PolarHBondContact O-N 3.24Å; L504-W507 PolarHBondContact O-N 3.41Å; W507-M510 HydrophobicContact CD2-CE 3.85Å; W507-M510 HydrophobicContact CE3-CE 3.47Å; W507-M510 VanDerWaalsContact CE3-CE 3.47Å; W507-M510 HydrophobicContact CH2-CE 3.65Å; W507-M510 HydrophobicContact CZ2-CE 4.03Å; W507-M510 HydrophobicContact CZ3-CE 3.37Å; W507-M510 PolarHBondContact O-N 3.31Å; W507-N511 VanDerWaalsContact O-CB 3.23Å; W507-N511 WeakPolarHBondContact O-CB 3.41Å; W507-N511 PolarHBondContact O-N 3.05Å; W507-L561 HydrophobicContact CZ2-CD2 4.26Å; W507-I562 HydrophobicContact CZ2-CD1 4.41Å; W507-F748 AromaticContact CH2-CE1 3.79Å; W507-F748 HydrophobicContact CH2-CE1 3.79Å; W507-F748 HydrophobicContact CZ3-CD1 4.31Å; W507-F748 AromaticContact CZ3-CE1 3.94Å; W507-F748 HydrophobicContact CZ3-CE1 3.94Å; W507-V752 HydrophobicContact CB-CG1 4.13Å; W507-V752 HydrophobicContact CD2-CB 4.15Å; W507-V752 HydrophobicContact CD2-CG1 3.57Å; W507-V752 HydrophobicContact CE3-CB 4.22Å; W507-V752 HydrophobicContact CE3-CG1 4.15Å; W507-V752 HydrophobicContact CE3-CG2 4.48Å; W507-V752 HydrophobicContact CG-CB 4.36Å; W507-V752 HydrophobicContact CG-CG1 3.52Å; W507-V753 HydrophobicContact CB-CG2 3.91Å; W507-V753 WeakPolarHBondContact O-CG2 3.47Å; W507-L756 HydrophobicContact CG-CD1 4.48Å
508R96.2Very high94.2Very high107 Ų10733 Ų3340%0.40417%0.167SC..Hα-helixtrans-64-49.4172.4-80.2177.3-175146.4-6.7111.9L504 S505 M506 M510 N511 H512 V753 D757L504-R508 HydrophobicContact CD1-CG 4.19Å; L504-R508 VanDerWaalsContact CG-CZ 3.46Å; L504-R508 WeakPolarHBondContact O-CB 3.28Å; L504-R508 VanDerWaalsContact O-CG 3.29Å; L504-R508 WeakPolarHBondContact O-CG 3.33Å; L504-R508 PolarHBondContact O-N 3.38Å; S505-R508 PolarHBondContact O-N 3.4Å; M506-R508 VanDerWaalsContact C-N 3.3Å; M506-R508 PolarHBondContact O-N 3.47Å; R508-M510 VanDerWaalsContact C-N 3.33Å; R508-N511 PolarHBondContact O-N 3.32Å; R508-H512 PolarHBondContact O-N 3.48Å; R508-V753 HydrophobicContact CB-CG2 4.35Å; R508-V753 HydrophobicContact CG-CB 4.36Å; R508-V753 HydrophobicContact CG-CG1 3.53Å; R508-V753 HydrophobicContact CG-CG2 3.85Å; R508-D757 IonicContact CZ-OD1 2.78Å; R508-D757 IonicContact NH2-OD1 3.55Å; R508-D757 PolarHBondContact NH2-OD1 3.39Å
509S94.9Very high94.2Very high47 Ų4731.6 Ų31.633%0.32916%0.16SC..Hα-helixtrans-61.7-44175.7-64.10000111.2S505 M506 N511 H512 F513S505-S509 PolarHBondContact O-N 3.36Å; S505-S509 PolarHBondContact O-OG 2.94Å; M506-S509 PolarHBondContact O-N 2.74Å; S509-N511 PolarHBondContact O-N 3.46Å; S509-H512 WeakPolarHBondContact O-CB 3.36Å; S509-H512 PolarHBondContact O-N 3.31Å; S509-F513 WeakPolarHBondContact O-CD2 3.37Å; S509-F513 VanDerWaalsContact O-CG 3.29Å; S509-F513 WeakPolarHBondContact O-CG 3.31Å; S509-F513 PolarHBondContact O-N 3.36Å
510M93.4Very high94.1Very high0 Ų031.5 Ų31.50%016%0.16CC..Hα-helixtrans-63.2-41178.2-167.6141.469.100112Y41 L45 A338 M506 W507 R508 F513 H514Y41-M510 HydrophobicContact CE1-CE 3.82Å; Y41-M510 HydrophobicContact CE1-SD 3.98Å; L45-M510 HydrophobicContact CD1-SD 4.17Å; A338-M510 HydrophobicContact CB-CG 4.2Å; A338-M510 HydrophobicContact CB-SD 4.39Å; M506-M510 HydrophobicContact CE-CE 4.39Å; M506-M510 VanDerWaalsContact O-CB 3.28Å; M506-M510 WeakPolarHBondContact O-CB 3.34Å; M506-M510 PolarHBondContact O-N 3.24Å; W507-M510 HydrophobicContact CD2-CE 3.85Å; W507-M510 HydrophobicContact CE3-CE 3.47Å; W507-M510 VanDerWaalsContact CE3-CE 3.47Å; W507-M510 HydrophobicContact CH2-CE 3.65Å; W507-M510 HydrophobicContact CZ2-CE 4.03Å; W507-M510 HydrophobicContact CZ3-CE 3.37Å; W507-M510 PolarHBondContact O-N 3.31Å; R508-M510 VanDerWaalsContact C-N 3.33Å; M510-F513 PolarHBondContact O-N 2.94Å; M510-H514 VanDerWaalsContact CG-CD2 3.5Å; M510-H514 WeakPolarHBondContact CG-CD2 3.22Å; M510-H514 VanDerWaalsContact CG-NE2 3.29Å; M510-H514 WeakPolarHBondContact CG-NE2 3.4Å; M510-H514 WeakPolarHBondContact O-CB 3.28Å; M510-H514 PolarHBondContact O-CD2 3.42Å; M510-H514 VanDerWaalsContact O-CG 3.31Å; M510-H514 PolarHBondContact O-N 3.17Å
511N95.7Very high94.1Very high20 Ų2031.5 Ų31.511%0.10716%0.16CC..Hα-helixtrans-60.3-48.7173.6-174.963.1000111.5W507 R508 S509 F513 H514 E515 A746 S749 G750 V753W507-N511 VanDerWaalsContact O-CB 3.23Å; W507-N511 WeakPolarHBondContact O-CB 3.41Å; W507-N511 PolarHBondContact O-N 3.05Å; R508-N511 PolarHBondContact O-N 3.32Å; S509-N511 PolarHBondContact O-N 3.46Å; N511-F513 VanDerWaalsContact C-N 3.28Å; N511-F513 PolarHBondContact O-N 3.46Å; N511-H514 PolarHBondContact O-N 2.96Å; N511-H514 VanDerWaalsContact O-N 3.15Å; N511-E515 VanDerWaalsContact ND2-CD 3.28Å; N511-E515 PolarHBondContact ND2-OE1 3.46Å; N511-E515 WeakPolarHBondContact O-CB 3.28Å; N511-E515 WeakPolarHBondContact O-CG 3.44Å; N511-E515 PolarHBondContact O-N 3.49Å; N511-A746 PolarHBondContact OD1-O 2.88Å; N511-S749 WeakPolarHBondContact CA-OG 3.45Å; N511-S749 PolarHBondContact OD1-OG 3.22Å; N511-G750 WeakPolarHBondContact OD1-CA 3.49Å; N511-G750 PolarHBondContact OD1-N 3.33Å; N511-V753 HydrophobicContact CB-CG2 4.13Å
512H95.7Very high94Very high72 Ų7231.3 Ų31.333%0.33316%0.16SC..Hα-helixtrans-56.7-42.8177.6178.859.6000112R508 S509 I516R508-H512 PolarHBondContact O-N 3.48Å; S509-H512 WeakPolarHBondContact O-CB 3.36Å; S509-H512 PolarHBondContact O-N 3.31Å; H512-I516 WeakPolarHBondContact NE2-CD1 3.48Å; H512-I516 WeakPolarHBondContact O-CG1 3.04Å; H512-I516 PolarHBondContact O-N 2.87Å; H512-I516 VanDerWaalsContact O-N 3.14Å
513F94.5Very high93.9Very high34 Ų3430.4 Ų30.415%0.14915%0.152CC..Hα-helixtrans-69.9-39.6176.6-59.7-43.6000112.8Y334 K337 A338 A341 S509 M510 N511 I516 Q517Y334-F513 HydrophobicContact CD1-CB 4.39Å; Y334-F513 AromaticContact CD1-CD1 3.67Å; Y334-F513 HydrophobicContact CD1-CD1 3.67Å; Y334-F513 HydrophobicContact CD1-CE1 4.4Å; Y334-F513 HydrophobicContact CD1-CG 4.36Å; Y334-F513 HydrophobicContact CE1-CD1 4.22Å; K337-F513 HydrophobicContact CB-CD1 4.31Å; K337-F513 HydrophobicContact CB-CD2 4.11Å; K337-F513 HydrophobicContact CB-CE1 3.99Å; K337-F513 HydrophobicContact CB-CE2 3.78Å; K337-F513 HydrophobicContact CB-CG 4.36Å; K337-F513 HydrophobicContact CB-CZ 3.72Å; K337-F513 HydrophobicContact CD-CE1 4.1Å; K337-F513 HydrophobicContact CD-CZ 4.43Å; A338-F513 HydrophobicContact CB-CB 4.22Å; A338-F513 HydrophobicContact CB-CD2 3.98Å; A341-F513 HydrophobicContact CB-CE2 4.36Å; S509-F513 WeakPolarHBondContact O-CD2 3.37Å; S509-F513 VanDerWaalsContact O-CG 3.29Å; S509-F513 WeakPolarHBondContact O-CG 3.31Å; S509-F513 PolarHBondContact O-N 3.36Å; M510-F513 PolarHBondContact O-N 2.94Å; N511-F513 VanDerWaalsContact C-N 3.28Å; N511-F513 PolarHBondContact O-N 3.46Å; F513-I516 PolarHBondContact O-N 2.86Å; F513-Q517 WeakPolarHBondContact O-CB 3.43Å; F513-Q517 VanDerWaalsContact O-CG 3.25Å; F513-Q517 WeakPolarHBondContact O-CG 3.27Å; F513-Q517 PolarHBondContact O-N 3.3Å
514H94Very high93.7Very high0 Ų030.1 Ų30.10%015%0.15CC..Hα-helixtrans-67.2-33.8175.9-72.3-40.7000112.9M510 N511 Q517 N518 I745 A746M510-H514 VanDerWaalsContact CG-CD2 3.5Å; M510-H514 WeakPolarHBondContact CG-CD2 3.22Å; M510-H514 VanDerWaalsContact CG-NE2 3.29Å; M510-H514 WeakPolarHBondContact CG-NE2 3.4Å; M510-H514 WeakPolarHBondContact O-CB 3.28Å; M510-H514 PolarHBondContact O-CD2 3.42Å; M510-H514 VanDerWaalsContact O-CG 3.31Å; M510-H514 PolarHBondContact O-N 3.17Å; N511-H514 PolarHBondContact O-N 2.96Å; N511-H514 VanDerWaalsContact O-N 3.15Å; H514-Q517 PolarHBondContact ND1-OE1 3.26Å; H514-Q517 PolarHBondContact O-N 2.9Å; H514-N518 VanDerWaalsContact O-CB 3.23Å; H514-N518 WeakPolarHBondContact O-CB 3.27Å; H514-N518 PolarHBondContact O-N 3.28Å; H514-I745 HydrophobicContact CB-CG2 4.38Å; H514-I745 VanDerWaalsContact CD2-CG2 3.49Å; H514-I745 WeakPolarHBondContact CD2-CG2 3.41Å; H514-A746 HydrophobicContact CB-CB 4.1Å
515E94.7Very high93.5Very high84 Ų8436.3 Ų36.339%0.39317%0.174SC..Hα-helixtrans-61.9-49.6171-75.9170.8171.200110.8N511 Q517 N518 E519 A746N511-E515 VanDerWaalsContact ND2-CD 3.28Å; N511-E515 PolarHBondContact ND2-OE1 3.46Å; N511-E515 WeakPolarHBondContact O-CB 3.28Å; N511-E515 WeakPolarHBondContact O-CG 3.44Å; N511-E515 PolarHBondContact O-N 3.49Å; E515-Q517 VanDerWaalsContact C-N 3.35Å; E515-Q517 PolarHBondContact O-N 3.42Å; E515-N518 CarbonylContact O-C 3.53Å; E515-N518 WeakPolarHBondContact O-CB 3.39Å; E515-N518 PolarHBondContact O-N 2.93Å; E515-N518 VanDerWaalsContact O-N 3.12Å; E515-E519 WeakPolarHBondContact O-CG 3.47Å; E515-E519 PolarHBondContact O-N 2.99Å; E515-A746 HydrophobicContact CG-CB 4.48Å
516I93.2Very high93.1Very high15 Ų1533.8 Ų33.88%0.07716%0.158CC..Hα-helixtrans-60.9-44.1176.7-67.4165.9000111.2L73 Y334 H512 F513 N518 E519 I520L73-I516 HydrophobicContact CD1-CG2 3.94Å; L73-I516 HydrophobicContact CD2-CG2 3.78Å; Y334-I516 HydrophobicContact CD1-CB 4.47Å; Y334-I516 HydrophobicContact CD1-CD1 4.37Å; Y334-I516 HydrophobicContact CD1-CG2 4.18Å; Y334-I516 HydrophobicContact CD2-CG2 3.78Å; Y334-I516 HydrophobicContact CE1-CB 4.29Å; Y334-I516 HydrophobicContact CE1-CD1 3.74Å; Y334-I516 HydrophobicContact CE1-CG2 3.77Å; Y334-I516 HydrophobicContact CE2-CG2 3.38Å; Y334-I516 HydrophobicContact CG-CG2 4.19Å; H512-I516 WeakPolarHBondContact NE2-CD1 3.48Å; H512-I516 WeakPolarHBondContact O-CG1 3.04Å; H512-I516 PolarHBondContact O-N 2.87Å; H512-I516 VanDerWaalsContact O-N 3.14Å; F513-I516 PolarHBondContact O-N 2.86Å; I516-N518 VanDerWaalsContact C-N 3.3Å; I516-N518 PolarHBondContact O-N 2.86Å; I516-E519 PolarHBondContact O-N 2.68Å; I516-I520 HydrophobicContact CG2-CD1 3.62Å; I516-I520 HydrophobicContact CG2-CG1 4.29Å; I516-I520 VanDerWaalsContact O-CG1 3.28Å; I516-I520 WeakPolarHBondContact O-CG1 3.31Å; I516-I520 PolarHBondContact O-N 3.47Å
517Q92.9Very high92.8Very high0 Ų033.7 Ų33.70%016%0.158CC..Hα-helixtrans-60.1-41.6174.8-72.6173.5-34.900111.7I331 Y334 F335 F513 H514 E515 E519 I520 V521 F742I331-Q517 HydrophobicContact CG2-CG 4.24Å; I331-Q517 PolarHBondContact O-NE2 2.93Å; Y334-Q517 HydrophobicContact CG-CG 4.32Å; F335-Q517 VanDerWaalsContact CD2-NE2 3.27Å; F335-Q517 VanDerWaalsContact CG-NE2 3.27Å; F513-Q517 WeakPolarHBondContact O-CB 3.43Å; F513-Q517 VanDerWaalsContact O-CG 3.25Å; F513-Q517 WeakPolarHBondContact O-CG 3.27Å; F513-Q517 PolarHBondContact O-N 3.3Å; H514-Q517 PolarHBondContact ND1-OE1 3.26Å; H514-Q517 PolarHBondContact O-N 2.9Å; E515-Q517 VanDerWaalsContact C-N 3.35Å; E515-Q517 PolarHBondContact O-N 3.42Å; Q517-E519 VanDerWaalsContact C-N 3.32Å; Q517-E519 PolarHBondContact O-N 2.9Å; Q517-I520 PolarHBondContact O-N 3.22Å; Q517-V521 VanDerWaalsContact O-CB 3.32Å; Q517-V521 WeakPolarHBondContact O-CB 3.44Å; Q517-V521 WeakPolarHBondContact O-CG1 3.5Å; Q517-V521 PolarHBondContact O-N 3.4Å; Q517-F742 HydrophobicContact CB-CD1 3.75Å; Q517-F742 HydrophobicContact CB-CE1 3.81Å; Q517-F742 HydrophobicContact CG-CE1 4.3Å
518N93.3Very high92.4Very high35 Ų3536.8 Ų36.819%0.18718%0.176CC..Hα-helixtrans-65.5-33.6177.3-178.852000112.3H514 E515 I516 V521 Q522 F742 Q743 A746H514-N518 VanDerWaalsContact O-CB 3.23Å; H514-N518 WeakPolarHBondContact O-CB 3.27Å; H514-N518 PolarHBondContact O-N 3.28Å; E515-N518 CarbonylContact O-C 3.53Å; E515-N518 WeakPolarHBondContact O-CB 3.39Å; E515-N518 PolarHBondContact O-N 2.93Å; E515-N518 VanDerWaalsContact O-N 3.12Å; I516-N518 VanDerWaalsContact C-N 3.3Å; I516-N518 PolarHBondContact O-N 2.86Å; N518-V521 WeakPolarHBondContact O-CG1 3.39Å; N518-Q522 WeakPolarHBondContact O-CG 3.45Å; N518-Q522 PolarHBondContact O-NE2 2.99Å; N518-Q522 PolarHBondContact OD1-NE2 3.18Å; N518-F742 HydrophobicContact CB-CB 4.17Å; N518-Q743 WeakPolarHBondContact OD1-CA 3.47Å; N518-Q743 PolarHBondContact OD1-N 2.69Å; N518-A746 HydrophobicContact CB-CB 4.27Å
519E92.4Very high91.8Very high75 Ų7532.6 Ų32.635%0.3516%0.162SC..Hα-helixtrans-69.1-49.3171.9-70.5179.1174.700111.2V71 L73 E515 I516 Q517 V521 Q522V71-E519 HydrophobicContact CG1-CB 3.81Å; V71-E519 WeakPolarHBondContact CG2-O 3.24Å; L73-E519 HydrophobicContact CD2-CB 4.25Å; L73-E519 WeakPolarHBondContact CD2-OE2 3.48Å; E515-E519 WeakPolarHBondContact O-CG 3.47Å; E515-E519 PolarHBondContact O-N 2.99Å; I516-E519 PolarHBondContact O-N 2.68Å; Q517-E519 VanDerWaalsContact C-N 3.32Å; Q517-E519 PolarHBondContact O-N 2.9Å; E519-V521 VanDerWaalsContact C-N 3.34Å; E519-V521 PolarHBondContact O-N 2.96Å; E519-Q522 PolarHBondContact O-N 2.86Å
520I92.1Very high90.8Very high2 Ų236 Ų361%0.0118%0.177CC..Hα-helixtrans-58.7-45.4179.6-69.1166.7000111.1L73 I327 A330 I331 Y334 I516 Q517 Q522 Q523L73-I520 HydrophobicContact CD1-CD1 4.37Å; L73-I520 HydrophobicContact CD2-CG1 4.28Å; I327-I520 HydrophobicContact CG2-CG2 3.92Å; A330-I520 HydrophobicContact CB-CD1 4.16Å; A330-I520 HydrophobicContact CB-CG2 4.25Å; I331-I520 HydrophobicContact CD1-CG2 4.33Å; I331-I520 HydrophobicContact CG1-CB 4.37Å; I331-I520 HydrophobicContact CG1-CG2 3.83Å; Y334-I520 HydrophobicContact CD2-CD1 3.78Å; Y334-I520 HydrophobicContact CE2-CD1 3.52Å; I516-I520 HydrophobicContact CG2-CD1 3.62Å; I516-I520 HydrophobicContact CG2-CG1 4.29Å; I516-I520 VanDerWaalsContact O-CG1 3.28Å; I516-I520 WeakPolarHBondContact O-CG1 3.31Å; I516-I520 PolarHBondContact O-N 3.47Å; Q517-I520 PolarHBondContact O-N 3.22Å; I520-Q522 PolarHBondContact O-N 3.48Å; I520-Q523 WeakPolarHBondContact O-CB 3.41Å; I520-Q523 WeakPolarHBondContact O-CG 3.42Å; I520-Q523 PolarHBondContact O-N 3.42Å; I520-Q523 VanDerWaalsContact O-N 3.14Å
521V92.5Very high89.6Confident0 Ų037.1 Ų37.10%018%0.184CC..Hα-helixtrans-67.4-17.9-175.982.60000112.9I331 Q517 N518 E519 Q523 V524 L738 P739 F742I331-V521 HydrophobicContact CD1-CB 3.94Å; I331-V521 HydrophobicContact CD1-CG2 3.94Å; Q517-V521 VanDerWaalsContact O-CB 3.32Å; Q517-V521 WeakPolarHBondContact O-CB 3.44Å; Q517-V521 WeakPolarHBondContact O-CG1 3.5Å; Q517-V521 PolarHBondContact O-N 3.4Å; N518-V521 WeakPolarHBondContact O-CG1 3.39Å; E519-V521 VanDerWaalsContact C-N 3.34Å; E519-V521 PolarHBondContact O-N 2.96Å; V521-Q523 PolarHBondContact O-N 2.93Å; V521-V524 HydrophobicContact CG2-CB 4.47Å; V521-V524 HydrophobicContact CG2-CG2 3.77Å; V521-V524 WeakPolarHBondContact O-CB 3.04Å; V521-V524 VanDerWaalsContact O-CG2 3.22Å; V521-V524 WeakPolarHBondContact O-CG2 3.27Å; V521-V524 PolarHBondContact O-N 2.85Å; V521-L738 HydrophobicContact CG2-CB 3.74Å; V521-L738 HydrophobicContact CG2-CD1 4.48Å; V521-P739 HydrophobicContact CG1-CB 4.39Å; V521-F742 HydrophobicContact CB-CD2 4.1Å; V521-F742 HydrophobicContact CG1-CB 3.99Å; V521-F742 HydrophobicContact CG1-CD2 4.02Å; V521-F742 HydrophobicContact CG1-CG 4.26Å; V521-F742 HydrophobicContact CG2-CD2 3.86Å; V521-F742 HydrophobicContact CG2-CE2 4.17Å
522Q91.9Very high87.7Confident64 Ų6443.5 Ų43.530%0.29922%0.216SC..G310 helixtrans-61.3-25.8173.9-62.2-50.8-40.100112.3N518 E519 I520 V524 R525N518-Q522 WeakPolarHBondContact O-CG 3.45Å; N518-Q522 PolarHBondContact O-NE2 2.99Å; N518-Q522 PolarHBondContact OD1-NE2 3.18Å; E519-Q522 PolarHBondContact O-N 2.86Å; I520-Q522 PolarHBondContact O-N 3.48Å; Q522-V524 PolarHBondContact O-N 3.4Å; Q522-R525 WeakPolarHBondContact O-CB 3.45Å; Q522-R525 PolarHBondContact O-N 2.93Å; Q522-R525 VanDerWaalsContact O-N 3.14Å
523Q89.7Confident86Confident4 Ų444.1 Ų44.12%0.01923%0.233CC..G310 helixtrans-61.6-25.2175.3-64.6179.669.100112.3V71 H321 I327 I520 V521 R525 G526V71-Q523 HydrophobicContact CG2-CG 3.51Å; H321-Q523 PolarHBondContact ND1-NE2 3.22Å; H321-Q523 PolarHBondContact ND1-OE1 3Å; I327-Q523 HydrophobicContact CD1-CB 3.69Å; I327-Q523 HydrophobicContact CG1-CB 4.22Å; I520-Q523 WeakPolarHBondContact O-CB 3.41Å; I520-Q523 WeakPolarHBondContact O-CG 3.42Å; I520-Q523 PolarHBondContact O-N 3.42Å; I520-Q523 VanDerWaalsContact O-N 3.14Å; V521-Q523 PolarHBondContact O-N 2.93Å; Q523-R525 PolarHBondContact O-N 2.82Å; Q523-G526 PolarHBondContact O-N 3.42Å
524V91Very high85.1Confident0 Ų046.6 Ų46.60%025%0.245CC..G310 helixtrans-59.9-32.4177.4-1800000111.2I327 V521 Q522 G526 L527 I734 Q735 L738I327-V524 HydrophobicContact CD1-CG2 4.03Å; I327-V524 HydrophobicContact CG2-CG2 3.82Å; V521-V524 HydrophobicContact CG2-CB 4.47Å; V521-V524 HydrophobicContact CG2-CG2 3.77Å; V521-V524 WeakPolarHBondContact O-CB 3.04Å; V521-V524 VanDerWaalsContact O-CG2 3.22Å; V521-V524 WeakPolarHBondContact O-CG2 3.27Å; V521-V524 PolarHBondContact O-N 2.85Å; Q522-V524 PolarHBondContact O-N 3.4Å; V524-G526 PolarHBondContact O-N 3.44Å; V524-G526 VanDerWaalsContact O-N 3.09Å; V524-L527 HydrophobicContact CB-CD1 4.15Å; V524-L527 HydrophobicContact CG1-CD1 3.54Å; V524-L527 HydrophobicContact CG1-CG 4.45Å; V524-L527 WeakPolarHBondContact O-CB 3.47Å; V524-L527 WeakPolarHBondContact O-CD1 3.32Å; V524-L527 VanDerWaalsContact O-CG 3.24Å; V524-L527 WeakPolarHBondContact O-CG 3.38Å; V524-L527 PolarHBondContact O-N 2.96Å; V524-I734 HydrophobicContact CG1-CB 4.5Å; V524-I734 HydrophobicContact CG1-CG2 3.28Å; V524-I734 WeakPolarHBondContact CG1-O 3.34Å; V524-Q735 VanDerWaalsContact O-CG 3.31Å; V524-Q735 WeakPolarHBondContact O-CG 3.41Å; V524-L738 HydrophobicContact CG1-CD1 4.48Å
525R89.2Confident84.5Confident131 Ų13148.4 Ų48.449%0.49426%0.257SS..G310 helixtrans-59.6-22.6176.3-62.3-175.4-178.3-83.42.8113.3Q522 Q523 Q735 P739Q522-R525 WeakPolarHBondContact O-CB 3.45Å; Q522-R525 PolarHBondContact O-N 2.93Å; Q522-R525 VanDerWaalsContact O-N 3.14Å; Q523-R525 PolarHBondContact O-N 2.82Å; R525-Q735 PolarHBondContact O-NE2 2.97Å; R525-P739 HydrophobicContact CG-CG 4.24Å
526G87.4Confident84.1Confident13 Ų1344.4 Ų44.413%0.13424%0.239CC..G310 helixtrans-92.63.117900000115.3S65 T68 Q523 V524S65-G526 WeakPolarHBondContact CB-O 3.43Å; S65-G526 PolarHBondContact N-O 3.45Å; T68-G526 WeakPolarHBondContact OG1-CA 3.38Å; Q523-G526 PolarHBondContact O-N 3.42Å; V524-G526 PolarHBondContact O-N 3.44Å; V524-G526 VanDerWaalsContact O-N 3.09Å
527L88.9Confident83.8Confident3 Ų345.3 Ų45.32%0.01625%0.246CC..EExtended strand (participates in β ladder)trans-64.5139-179.5-71.1170.1000111.6L62 A63 V64 L324 I327 V524 L731 I734 Q735L62-L527 HydrophobicContact CB-CD2 4.37Å; A63-L527 CarbonylContact O-C 3.59Å; A63-L527 WeakPolarHBondContact O-CA 3.35Å; V64-L527 HydrophobicContact CG2-CD2 3.72Å; L324-L527 HydrophobicContact CB-CD1 4.24Å; L324-L527 HydrophobicContact CB-CD2 4.14Å; L324-L527 HydrophobicContact CD1-CD1 3.83Å; L324-L527 HydrophobicContact CG-CD1 4.46Å; I327-L527 HydrophobicContact CD1-CD2 4.39Å; V524-L527 HydrophobicContact CB-CD1 4.15Å; V524-L527 HydrophobicContact CG1-CD1 3.54Å; V524-L527 HydrophobicContact CG1-CG 4.45Å; V524-L527 WeakPolarHBondContact O-CB 3.47Å; V524-L527 WeakPolarHBondContact O-CD1 3.32Å; V524-L527 VanDerWaalsContact O-CG 3.24Å; V524-L527 WeakPolarHBondContact O-CG 3.38Å; V524-L527 PolarHBondContact O-N 2.96Å; L527-L731 HydrophobicContact CB-CD1 3.58Å; L527-I734 HydrophobicContact CD1-CG2 4.05Å; L527-Q735 PolarHBondContact O-NE2 3.12Å
528V86.5Confident83.6Confident66 Ų6649.7 Ų49.740%0.427%0.27SS..EExtended strand (participates in β ladder)trans-129137.7173.8-177.30000107.1A63 N530A63-V528 PolarHBondContact N-O 3Å; A63-V528 PolarHBondContact O-N 3.43Å; V528-N530 PolarHBondContact O-N 2.82Å
529D83.5Confident83.4Confident19 Ų1954.7 Ų54.710%0.10230%0.296CS..EExtended strand (participates in β ladder)trans-83.9110.2174-164.3-4.1000109.9S61 L62 S531 L731S61-D529 VanDerWaalsContact CB-OD1 3.25Å; S61-D529 WeakPolarHBondContact CB-OD1 3.43Å; S61-D529 PolarHBondContact OG-OD1 2.88Å; L62-D529 HydrophobicContact CD2-CB 3.77Å; D529-S531 VanDerWaalsContact C-N 3.34Å; D529-S531 PolarHBondContact OD1-N 3.41Å; D529-S531 VanDerWaalsContact OD1-N 3.16Å; D529-L731 HydrophobicContact CB-CD2 4.31Å
530N75.2Confident83.3Confident119 Ų11952.2 Ų52.264%0.63628%0.284SS*.  trans-87.3-2.2-179.9-72.1-15.3000113S61 A63 V528S61-N530 PolarHBondContact O-N 2.77Å; A63-N530 VanDerWaalsContact CB-ND2 3.35Å; A63-N530 WeakPolarHBondContact CB-ND2 3.47Å; V528-N530 PolarHBondContact O-N 2.82Å
531S67.2Low83.2Confident24 Ų2455.8 Ų55.817%0.16830%0.298CS..  trans-121107.5179.1-175.90000111D529 A533D529-S531 VanDerWaalsContact C-N 3.34Å; D529-S531 PolarHBondContact OD1-N 3.41Å; D529-S531 VanDerWaalsContact OD1-N 3.16Å; S531-A533 PolarHBondContact O-N 3.14Å
532M56.5Low83.3Confident154 Ų15460.1 Ų60.176%0.75932%0.32SS*.SBendtrans-79.910.7175.2-70.6-70.3142.900113.6
533A59.1Low83.4Confident84 Ų8457.7 Ų57.769%0.69431%0.311SS*.  trans-139.4-5.7-160.200000117.9S531 S535S531-A533 PolarHBondContact O-N 3.14Å; A533-S535 PolarHBondContact O-N 3.41Å
534E75.6Confident83.7Confident86 Ų8657.5 Ų57.540%0.40231%0.31SS..  trans-83.8110.3-179.4-78.7178.8-162.900112.1R727E534-R727 VanDerWaalsContact O-CZ 3.27Å; E534-R727 PolarHBondContact O-NE 3.07Å; E534-R727 PolarHBondContact O-NH2 3.23Å
535S81.8Confident83.9Confident38 Ų3864.8 Ų64.827%0.26634%0.338SS..PPolyproline II helixtrans-62.7148.4170.170.70000111.3A533 S537 K644A533-S535 PolarHBondContact O-N 3.41Å; S535-S537 PolarHBondContact O-N 3.2Å; S535-K644 PolarHBondContact OG-NZ 2.87Å
536T86.3Confident84.2Confident0 Ų061.6 Ų61.60%033%0.33CS..PPolyproline II helixtrans-57130.4171.9-66.30000110.3H540 Q637 E640 M641 K644T536-H540 HydrophobicContact CG2-CB 4.07Å; T536-Q637 HydrophobicContact CG2-CB 3.9Å; T536-Q637 HydrophobicContact CG2-CG 3.84Å; T536-E640 WeakPolarHBondContact CB-OE1 3.36Å; T536-E640 WeakPolarHBondContact CB-OE2 3.47Å; T536-E640 PolarHBondContact N-OE1 2.71Å; T536-E640 VanDerWaalsContact OG1-CD 3.24Å; T536-E640 PolarHBondContact OG1-OE1 2.89Å; T536-E640 PolarHBondContact OG1-OE2 3.46Å; T536-M641 HydrophobicContact CG2-CG 4.25Å; T536-K644 PolarHBondContact O-NZ 3.31Å
537S88.1Confident84.6Confident34 Ų3461 Ų6124%0.23832%0.324CS..PPolyproline II helixtrans-98.4162.2174.972.30000109.9S535 L539 H540 R541S535-S537 PolarHBondContact O-N 3.2Å; S537-L539 PolarHBondContact O-N 3.43Å; S537-L539 PolarHBondContact OG-N 3.31Å; S537-H540 PolarHBondContact N-ND1 2.98Å; S537-H540 PolarHBondContact O-N 3.46Å; S537-H540 VanDerWaalsContact O-N 3.15Å; S537-H540 PolarHBondContact OG-CD2 2.92Å; S537-H540 VanDerWaalsContact OG-CD2 3.28Å; S537-H540 PolarHBondContact OG-CE1 3.47Å; S537-H540 PolarHBondContact OG-N 3.48Å; S537-H540 VanDerWaalsContact OG-N 3.12Å; S537-H540 PolarHBondContact OG-ND1 3.12Å; S537-H540 PolarHBondContact OG-NE2 3.33Å; S537-R541 PolarHBondContact O-N 3.48Å
538D88.4Confident85Confident92 Ų9262.6 Ų62.649%0.49233%0.332SS..Hα-helixtrans-59.8-31.5172.5-80.4-51.9000112R541 L542 M641D538-R541 PolarHBondContact O-N 3.05Å; D538-R541 IonicContact OD1-NE 3.22Å; D538-R541 IonicContact OD1-NH2 3.92Å; D538-L542 WeakPolarHBondContact O-CB 3.3Å; D538-L542 PolarHBondContact O-N 3.43Å; D538-M641 WeakPolarHBondContact OD1-CE 3.45Å
539L89.2Confident85.5Confident140 Ų14062.4 Ų62.473%0.73334%0.337SS*.Hα-helixtrans-65.2-41.5174.7-67.4172.7000112.1S537 R541 L542 A543S537-L539 PolarHBondContact O-N 3.43Å; S537-L539 PolarHBondContact OG-N 3.31Å; L539-R541 VanDerWaalsContact C-N 3.35Å; L539-R541 PolarHBondContact O-N 2.98Å; L539-L542 PolarHBondContact O-N 2.96Å; L539-A543 WeakPolarHBondContact O-CB 3.22Å; L539-A543 PolarHBondContact O-N 3.01Å
540H89.1Confident86.2Confident23 Ų2362 Ų6211%0.10634%0.336CS..Hα-helixtrans-59.6-48.1175.7-59.1153.2000110.6G58 T536 S537 L542 A543 T544G58-H540 PolarHBondContact O-CD2 3.28Å; G58-H540 PolarHBondContact O-NE2 3.07Å; T536-H540 HydrophobicContact CG2-CB 4.07Å; S537-H540 PolarHBondContact N-ND1 2.98Å; S537-H540 PolarHBondContact O-N 3.46Å; S537-H540 VanDerWaalsContact O-N 3.15Å; S537-H540 PolarHBondContact OG-CD2 2.92Å; S537-H540 VanDerWaalsContact OG-CD2 3.28Å; S537-H540 PolarHBondContact OG-CE1 3.47Å; S537-H540 PolarHBondContact OG-N 3.48Å; S537-H540 VanDerWaalsContact OG-N 3.12Å; S537-H540 PolarHBondContact OG-ND1 3.12Å; S537-H540 PolarHBondContact OG-NE2 3.33Å; H540-L542 VanDerWaalsContact C-N 3.32Å; H540-L542 PolarHBondContact O-N 2.77Å; H540-A543 PolarHBondContact O-N 2.9Å; H540-T544 PolarHBondContact O-N 3.42Å; H540-T544 PolarHBondContact O-OG1 2.69Å
541R91.2Very high87.2Confident78 Ų7856.3 Ų56.329%0.29431%0.306SS..Hα-helixtrans-62.1-40.2179.8-172.1179.768101.91112.4S537 D538 L539 R545 Y634S537-R541 PolarHBondContact O-N 3.48Å; D538-R541 PolarHBondContact O-N 3.05Å; D538-R541 IonicContact OD1-NE 3.22Å; D538-R541 IonicContact OD1-NH2 3.92Å; L539-R541 VanDerWaalsContact C-N 3.35Å; L539-R541 PolarHBondContact O-N 2.98Å; R541-R545 WeakPolarHBondContact O-CB 3.4Å; R541-R545 PolarHBondContact O-N 3.36Å; R541-Y634 HydrophobicContact CG-CD2 4Å; R541-Y634 HydrophobicContact CG-CE2 3.63Å
542L93.4Very high88.7Confident91 Ų9157.4 Ų57.448%0.47631%0.313SS..Hα-helixtrans-69.2-42.5178.8-143.9141.9000110.9D538 L539 H540 T544 R545 D546D538-L542 WeakPolarHBondContact O-CB 3.3Å; D538-L542 PolarHBondContact O-N 3.43Å; L539-L542 PolarHBondContact O-N 2.96Å; H540-L542 VanDerWaalsContact C-N 3.32Å; H540-L542 PolarHBondContact O-N 2.77Å; L542-T544 PolarHBondContact O-N 3.47Å; L542-R545 PolarHBondContact O-N 3.25Å; L542-D546 WeakPolarHBondContact O-CB 3.27Å; L542-D546 VanDerWaalsContact O-CG 3.27Å; L542-D546 PolarHBondContact O-N 3.14Å
543A94.7Very high90.6Very high13 Ų1351.9 Ų51.911%0.10729%0.292CS..Hα-helixtrans-62.8-39.8174.500000112.7L539 H540 D546 L547L539-A543 WeakPolarHBondContact O-CB 3.22Å; L539-A543 PolarHBondContact O-N 3.01Å; H540-A543 PolarHBondContact O-N 2.9Å; A543-D546 PolarHBondContact O-N 3.39Å; A543-L547 WeakPolarHBondContact O-CB 3.35Å; A543-L547 PolarHBondContact O-N 3.35Å
544T95Very high92.4Very high0 Ų048 Ų480%026%0.26CS..Hα-helixtrans-65.4-41.9174.5-56.60000111.8F55 H540 L542 L547 E548 V630 I633 Q637F55-T544 WeakPolarHBondContact CD2-OG1 3.39Å; F55-T544 HydrophobicContact CE2-CG2 4.36Å; F55-T544 VanDerWaalsContact CE2-OG1 3.27Å; F55-T544 WeakPolarHBondContact CE2-OG1 3.14Å; H540-T544 PolarHBondContact O-N 3.42Å; H540-T544 PolarHBondContact O-OG1 2.69Å; L542-T544 PolarHBondContact O-N 3.47Å; T544-L547 PolarHBondContact O-N 3.4Å; T544-E548 PolarHBondContact O-N 2.89Å; T544-V630 HydrophobicContact CG2-CG1 3.82Å; T544-V630 WeakPolarHBondContact O-CG1 3.39Å; T544-I633 HydrophobicContact CG2-CB 4.16Å; T544-I633 HydrophobicContact CG2-CG2 3.88Å; T544-Q637 VanDerWaalsContact CB-OE1 3.3Å; T544-Q637 PolarHBondContact OG1-NE2 3.1Å; T544-Q637 PolarHBondContact OG1-OE1 3.48Å; T544-Q637 VanDerWaalsContact OG1-OE1 3.11Å
545R95.4Very high93.5Very high153 Ų15345.6 Ų45.658%0.57725%0.249SC*.Hα-helixtrans-63.9-42.6175.1-176.5-174.4177.1-170.6-0.1112.2R541 L542 L547 E548 A549 Y634R541-R545 WeakPolarHBondContact O-CB 3.4Å; R541-R545 PolarHBondContact O-N 3.36Å; L542-R545 PolarHBondContact O-N 3.25Å; R545-L547 VanDerWaalsContact C-N 3.31Å; R545-E548 WeakPolarHBondContact O-CB 3.4Å; R545-E548 PolarHBondContact O-N 2.88Å; R545-A549 WeakPolarHBondContact O-CB 3.35Å; R545-A549 PolarHBondContact O-N 3.12Å; R545-Y634 HydrophobicContact CB-CD2 4.21Å; R545-Y634 HydrophobicContact CB-CE2 4.06Å
546D95.9Very high94.2Very high63 Ų6346 Ų4634%0.33725%0.251SS..Hα-helixtrans-64.2-39.2177.5-73.6-7.2000110.9L542 A543 A549 A550L542-D546 WeakPolarHBondContact O-CB 3.27Å; L542-D546 VanDerWaalsContact O-CG 3.27Å; L542-D546 PolarHBondContact O-N 3.14Å; A543-D546 PolarHBondContact O-N 3.39Å; D546-A549 PolarHBondContact O-N 3.02Å; D546-A550 VanDerWaalsContact O-CB 3.27Å; D546-A550 WeakPolarHBondContact O-CB 3.33Å; D546-A550 PolarHBondContact O-N 3.49Å
547L96.6Very high94.7Very high1 Ų147 Ų471%0.00526%0.257CS..Hα-helixtrans-62.5-46.5172.9179.661.8000111.6A51 L52 F55 A543 T544 R545 A549 A550 V551 V630A51-L547 HydrophobicContact CB-CB 4.43Å; A51-L547 HydrophobicContact CB-CD1 4.29Å; L52-L547 HydrophobicContact CB-CD1 4.09Å; L52-L547 HydrophobicContact CD1-CD1 4.01Å; L52-L547 HydrophobicContact CD1-CD2 4.09Å; F55-L547 HydrophobicContact CB-CD2 3.99Å; F55-L547 HydrophobicContact CD1-CD2 3.88Å; F55-L547 HydrophobicContact CD2-CD2 4.17Å; F55-L547 HydrophobicContact CE1-CD2 4.4Å; F55-L547 HydrophobicContact CG-CD2 3.74Å; A543-L547 WeakPolarHBondContact O-CB 3.35Å; A543-L547 PolarHBondContact O-N 3.35Å; T544-L547 PolarHBondContact O-N 3.4Å; R545-L547 VanDerWaalsContact C-N 3.31Å; L547-A549 VanDerWaalsContact C-N 3.33Å; L547-A549 PolarHBondContact O-N 3.38Å; L547-A550 PolarHBondContact O-N 3Å; L547-V551 HydrophobicContact CD1-CG2 3.78Å; L547-V551 HydrophobicContact CG-CG2 4.3Å; L547-V551 VanDerWaalsContact O-CG2 3.27Å; L547-V551 WeakPolarHBondContact O-CG2 3.39Å; L547-V551 PolarHBondContact O-N 3.47Å; L547-V630 HydrophobicContact CB-CG1 4.35Å; L547-V630 HydrophobicContact CD2-CG1 4.22Å; L547-V630 HydrophobicContact CD2-CG2 3.96Å; L547-V630 HydrophobicContact CG-CG1 4.19Å; L547-V630 HydrophobicContact CG-CG2 4.19Å
548E96.8Very high95.1Very high37 Ų3745.6 Ų45.617%0.17325%0.246CC..Hα-helixtrans-57.1-47.1176.6-171.6-177.9172.200111.3T544 R545 S552 V627 V630 H631T544-E548 PolarHBondContact O-N 2.89Å; R545-E548 WeakPolarHBondContact O-CB 3.4Å; R545-E548 PolarHBondContact O-N 2.88Å; E548-S552 WeakPolarHBondContact O-CB 3.43Å; E548-S552 PolarHBondContact O-N 3.44Å; E548-S552 PolarHBondContact O-OG 2.9Å; E548-V627 HydrophobicContact CG-CG1 4.34Å; E548-V630 HydrophobicContact CB-CG1 3.82Å; E548-H631 IonicContact OE1-CE1 3.04Å; E548-H631 IonicContact OE1-CG 2.69Å; E548-H631 IonicContact OE1-ND1 3.71Å; E548-H631 PolarHBondContact OE1-ND1 2.78Å; E548-H631 IonicContact OE2-ND1 2.66Å
549A97.5Very high95.5Very high61 Ų6143.6 Ų43.650%0.50424%0.236SC..Hα-helixtrans-64.8-42.5178.500000112.3R545 D546 L547 S552 A553R545-A549 WeakPolarHBondContact O-CB 3.35Å; R545-A549 PolarHBondContact O-N 3.12Å; D546-A549 PolarHBondContact O-N 3.02Å; L547-A549 VanDerWaalsContact C-N 3.33Å; L547-A549 PolarHBondContact O-N 3.38Å; A549-S552 PolarHBondContact O-N 3.43Å; A549-A553 WeakPolarHBondContact O-CB 3.44Å; A549-A553 PolarHBondContact O-N 3.39Å
550A97.5Very high95.9Very high11 Ų1141.5 Ų41.59%0.09122%0.218CC..Hα-helixtrans-66.7-46.3-179.800000112.2T48 A51 D546 L547 S552 A553 W554T48-A550 PolarHBondContact OG1-O 3.5Å; A51-A550 HydrophobicContact CB-CB 3.76Å; D546-A550 VanDerWaalsContact O-CB 3.27Å; D546-A550 WeakPolarHBondContact O-CB 3.33Å; D546-A550 PolarHBondContact O-N 3.49Å; L547-A550 PolarHBondContact O-N 3Å; A550-S552 VanDerWaalsContact C-N 3.35Å; A550-A553 PolarHBondContact O-N 3.44Å; A550-W554 PolarHBondContact O-N 3.04Å
551V96.9Very high96.2Very high0 Ų040.5 Ų40.50%021%0.213CC..Hα-helixtrans-66.4-38.4177.1-179.60000110.7T48 L547 A553 W554 H555 I623 F626 V627T48-V551 HydrophobicContact CG2-CG2 3.9Å; L547-V551 HydrophobicContact CD1-CG2 3.78Å; L547-V551 HydrophobicContact CG-CG2 4.3Å; L547-V551 VanDerWaalsContact O-CG2 3.27Å; L547-V551 WeakPolarHBondContact O-CG2 3.39Å; L547-V551 PolarHBondContact O-N 3.47Å; V551-A553 VanDerWaalsContact C-N 3.35Å; V551-A553 PolarHBondContact O-N 3.4Å; V551-W554 HydrophobicContact CG1-CE3 4.35Å; V551-W554 WeakPolarHBondContact O-CB 3.25Å; V551-W554 PolarHBondContact O-N 3.34Å; V551-H555 PolarHBondContact O-N 3.44Å; V551-I623 HydrophobicContact CG1-CG2 3.82Å; V551-F626 HydrophobicContact CG1-CD1 3.85Å; V551-F626 HydrophobicContact CG2-CD1 4.02Å; V551-F626 HydrophobicContact CG2-CE1 3.92Å; V551-V627 HydrophobicContact CB-CG2 4.03Å; V551-V627 HydrophobicContact CG1-CG2 3.47Å; V551-V627 VanDerWaalsContact CG1-CG2 3.47Å
552S97.6Very high96.3Very high46 Ų4636.9 Ų36.932%0.32220%0.2SC..Hα-helixtrans-62.1-42174.6-63.20000112.2E548 A549 A550 H555 S556 V627E548-S552 WeakPolarHBondContact O-CB 3.43Å; E548-S552 PolarHBondContact O-N 3.44Å; E548-S552 PolarHBondContact O-OG 2.9Å; A549-S552 PolarHBondContact O-N 3.43Å; A550-S552 VanDerWaalsContact C-N 3.35Å; S552-H555 PolarHBondContact O-N 3.13Å; S552-S556 PolarHBondContact O-N 3.34Å; S552-V627 VanDerWaalsContact OG-CG1 3.28Å; S552-V627 WeakPolarHBondContact OG-CG1 3.38Å
553A97.2Very high96.5Very high39 Ų3938.1 Ų38.132%0.32220%0.201SC..Hα-helixtrans-64-41.9174.200000111.3A549 A550 V551 S556 N557A549-A553 WeakPolarHBondContact O-CB 3.44Å; A549-A553 PolarHBondContact O-N 3.39Å; A550-A553 PolarHBondContact O-N 3.44Å; V551-A553 VanDerWaalsContact C-N 3.35Å; V551-A553 PolarHBondContact O-N 3.4Å; A553-S556 PolarHBondContact O-N 2.88Å; A553-N557 WeakPolarHBondContact O-CB 3.38Å; A553-N557 PolarHBondContact O-N 2.97Å; A553-N557 PolarHBondContact O-ND2 3.34Å
554W97.1Very high96.6Very high1 Ų139.7 Ų39.70%0.00421%0.205CC..Hα-helixtrans-60.7-46.6174.9176.734.4000112.5Y41 L45 T48 F335 A550 V551 S556 N557 F558 I623 M741 I745Y41-W554 AromaticContact CE2-CD1 3.74Å; Y41-W554 AromaticContact CE2-NE1 3.44Å; L45-W554 HydrophobicContact CD2-CZ2 3.94Å; T48-W554 HydrophobicContact CG2-CE3 3.92Å; T48-W554 HydrophobicContact CG2-CZ3 4.16Å; F335-W554 HydrophobicContact CE1-CH2 4.01Å; F335-W554 HydrophobicContact CE1-CZ2 4.13Å; F335-W554 AromaticContact CZ-CH2 3.95Å; F335-W554 HydrophobicContact CZ-CH2 3.95Å; F335-W554 HydrophobicContact CZ-CZ3 4.37Å; A550-W554 PolarHBondContact O-N 3.04Å; V551-W554 HydrophobicContact CG1-CE3 4.35Å; V551-W554 WeakPolarHBondContact O-CB 3.25Å; V551-W554 PolarHBondContact O-N 3.34Å; W554-S556 PolarHBondContact O-N 3.01Å; W554-N557 PolarHBondContact O-N 3.47Å; W554-F558 VanDerWaalsContact O-CB 3.28Å; W554-F558 WeakPolarHBondContact O-CB 3.5Å; W554-F558 PolarHBondContact O-N 2.95Å; W554-I623 HydrophobicContact CD2-CD1 4.39Å; W554-I623 HydrophobicContact CD2-CG2 4.4Å; W554-I623 HydrophobicContact CE3-CG2 4.01Å; W554-I623 HydrophobicContact CZ2-CD1 4.33Å; W554-I623 HydrophobicContact CZ3-CG2 4.48Å; W554-M741 HydrophobicContact CH2-CE 4.25Å; W554-M741 HydrophobicContact CH2-SD 4.23Å; W554-M741 HydrophobicContact CZ3-CE 3.89Å; W554-M741 HydrophobicContact CZ3-SD 3.63Å; W554-I745 HydrophobicContact CH2-CD1 3.13Å; W554-I745 HydrophobicContact CH2-CG1 4.49Å; W554-I745 HydrophobicContact CZ2-CD1 3.42Å; W554-I745 VanDerWaalsContact CZ2-CD1 3.42Å; W554-I745 HydrophobicContact CZ2-CG1 4.45Å; W554-I745 HydrophobicContact CZ3-CD1 4.1Å
555H97.5Very high96.6Very high37 Ų3739.9 Ų39.917%0.17121%0.206CC..Hα-helixtrans-56.3-47.5174.1175.6-108.5000112.1V551 S552 N559 S620 I623V551-H555 PolarHBondContact O-N 3.44Å; S552-H555 PolarHBondContact O-N 3.13Å; H555-N559 PolarHBondContact CE1-ND2 2.89Å; H555-N559 PolarHBondContact NE2-ND2 2.85Å; H555-N559 VanDerWaalsContact NE2-ND2 3.2Å; H555-N559 PolarHBondContact O-N 3.36Å; H555-N559 PolarHBondContact O-ND2 2.98Å; H555-S620 PolarHBondContact CD2-O 3.3Å; H555-S620 VanDerWaalsContact CD2-O 3.23Å; H555-S620 PolarHBondContact CD2-OG 3.4Å; H555-S620 PolarHBondContact NE2-O 3.4Å; H555-S620 PolarHBondContact NE2-OG 2.91Å; H555-I623 HydrophobicContact CB-CB 4.44Å; H555-I623 HydrophobicContact CB-CG2 3.69Å
556S97.3Very high96.6Very high46 Ų4634.2 Ų34.232%0.32218%0.184SC..Hα-helixtrans-63.7-44.1178.9-167.10000112S552 A553 W554 N559 R560S552-S556 PolarHBondContact O-N 3.34Å; A553-S556 PolarHBondContact O-N 2.88Å; W554-S556 PolarHBondContact O-N 3.01Å; S556-N559 PolarHBondContact O-N 3.27Å; S556-R560 VanDerWaalsContact O-CG 3.31Å; S556-R560 WeakPolarHBondContact O-CG 3.42Å; S556-R560 PolarHBondContact O-N 3.48Å
557N96.9Very high96.7Very high22 Ų2233.2 Ų33.212%0.11818%0.179CC..Hα-helixtrans-71.3-35.4-178.3-67.3-25000112.6D40 A553 W554 R560 L561D40-N557 HydrophobicContact CB-CB 4.48Å; D40-N557 PolarHBondContact O-ND2 3.36Å; D40-N557 VanDerWaalsContact O-ND2 3.12Å; A553-N557 WeakPolarHBondContact O-CB 3.38Å; A553-N557 PolarHBondContact O-N 2.97Å; A553-N557 PolarHBondContact O-ND2 3.34Å; W554-N557 PolarHBondContact O-N 3.47Å; N557-R560 PolarHBondContact O-N 2.91Å; N557-L561 WeakPolarHBondContact O-CB 3.29Å; N557-L561 PolarHBondContact O-N 2.79Å
558F96.1Very high96.7Very high4 Ų433.2 Ų33.22%0.01818%0.179CC..Hα-helixtrans-57.2-52.4171.6173.2-100.2000110.9Y41 W554 R560 L561 I562 A619 I623 F748Y41-F558 HydrophobicContact CD2-CB 4.23Å; Y41-F558 HydrophobicContact CE2-CB 4.03Å; Y41-F558 AromaticContact CE2-CD2 3.93Å; Y41-F558 HydrophobicContact CE2-CD2 3.93Å; Y41-F558 HydrophobicContact CE2-CG 4.5Å; W554-F558 VanDerWaalsContact O-CB 3.28Å; W554-F558 WeakPolarHBondContact O-CB 3.5Å; W554-F558 PolarHBondContact O-N 2.95Å; F558-R560 VanDerWaalsContact C-N 3.32Å; F558-R560 PolarHBondContact O-N 3.38Å; F558-L561 WeakPolarHBondContact O-CB 3.28Å; F558-L561 PolarHBondContact O-N 3.33Å; F558-I562 HydrophobicContact CE2-CG1 4.34Å; F558-I562 HydrophobicContact CZ-CG1 4.24Å; F558-I562 WeakPolarHBondContact O-CG1 3.39Å; F558-I562 PolarHBondContact O-N 2.86Å; F558-I562 VanDerWaalsContact O-N 3.13Å; F558-A619 HydrophobicContact CE1-CB 4.19Å; F558-A619 HydrophobicContact CZ-CB 3.87Å; F558-I623 HydrophobicContact CD1-CD1 4.43Å; F558-I623 HydrophobicContact CG-CD1 4.33Å; F558-F748 AromaticContact CE2-CD1 3.79Å; F558-F748 HydrophobicContact CE2-CD1 3.79Å; F558-F748 AromaticContact CE2-CE1 3.4Å; F558-F748 HydrophobicContact CE2-CE1 3.4Å; F558-F748 AromaticContact CE2-CZ 3.97Å; F558-F748 HydrophobicContact CE2-CZ 3.97Å; F558-F748 AromaticContact CZ-CD1 3.84Å; F558-F748 HydrophobicContact CZ-CD1 3.84Å; F558-F748 HydrophobicContact CZ-CD2 4.43Å; F558-F748 AromaticContact CZ-CE1 3.53Å; F558-F748 HydrophobicContact CZ-CE1 3.53Å; F558-F748 HydrophobicContact CZ-CE2 4.15Å; F558-F748 HydrophobicContact CZ-CG 4.28Å; F558-F748 AromaticContact CZ-CZ 3.69Å; F558-F748 HydrophobicContact CZ-CZ 3.69Å
559N96.7Very high96.6Very high50 Ų5031.5 Ų31.527%0.26717%0.171SC..Hα-helixtrans-60.9-41.2178.4-77.1-54000112.5H555 S556 K563 S620H555-N559 PolarHBondContact CE1-ND2 2.89Å; H555-N559 PolarHBondContact NE2-ND2 2.85Å; H555-N559 VanDerWaalsContact NE2-ND2 3.2Å; H555-N559 PolarHBondContact O-N 3.36Å; H555-N559 PolarHBondContact O-ND2 2.98Å; S556-N559 PolarHBondContact O-N 3.27Å; N559-K563 VanDerWaalsContact O-CB 3.27Å; N559-K563 WeakPolarHBondContact O-CB 3.36Å; N559-K563 PolarHBondContact O-N 3.18Å; N559-S620 PolarHBondContact ND2-OG 3.23Å; N559-S620 PolarHBondContact OD1-OG 3.29Å; N559-S620 VanDerWaalsContact OD1-OG 3.1Å
560R96.6Very high96.6Very high95 Ų9533 Ų3336%0.35816%0.163SC..Hα-helixtrans-63.2-43.3175.4-74.7175.1-179.9-157.5-0.6112.3A37 S556 N557 F558 K563 Y564A37-R560 HydrophobicContact CB-CB 4.07Å; S556-R560 VanDerWaalsContact O-CG 3.31Å; S556-R560 WeakPolarHBondContact O-CG 3.42Å; S556-R560 PolarHBondContact O-N 3.48Å; N557-R560 PolarHBondContact O-N 2.91Å; F558-R560 VanDerWaalsContact C-N 3.32Å; F558-R560 PolarHBondContact O-N 3.38Å; R560-K563 PolarHBondContact O-N 2.82Å; R560-Y564 HydrophobicContact CB-CD2 4.08Å; R560-Y564 HydrophobicContact CB-CE2 3.88Å; R560-Y564 HydrophobicContact CG-CE2 4.13Å; R560-Y564 WeakPolarHBondContact O-CB 3.41Å; R560-Y564 WeakPolarHBondContact O-CD2 3.39Å; R560-Y564 PolarHBondContact O-N 3.4Å
561L95.5Very high96.5Very high2 Ų232.7 Ų32.71%0.0116%0.161CC..Hα-helixtrans-57.8-51.9178.4174.562.3000110.8L34 H38 Y41 W507 N557 F558 K563 Y564 Q565L34-L561 HydrophobicContact CD1-CD1 3.87Å; H38-L561 HydrophobicContact CB-CD1 4.15Å; Y41-L561 HydrophobicContact CD1-CD2 3.65Å; Y41-L561 HydrophobicContact CD2-CD2 4.27Å; Y41-L561 HydrophobicContact CE1-CD2 4.08Å; Y41-L561 HydrophobicContact CG-CD2 3.76Å; W507-L561 HydrophobicContact CZ2-CD2 4.26Å; N557-L561 WeakPolarHBondContact O-CB 3.29Å; N557-L561 PolarHBondContact O-N 2.79Å; F558-L561 WeakPolarHBondContact O-CB 3.28Å; F558-L561 PolarHBondContact O-N 3.33Å; L561-K563 PolarHBondContact O-N 3.49Å; L561-Y564 PolarHBondContact O-N 2.92Å; L561-Q565 VanDerWaalsContact O-CB 3.3Å; L561-Q565 WeakPolarHBondContact O-CB 3.24Å; L561-Q565 PolarHBondContact O-N 2.65Å
562I95.3Very high96.5Very high3 Ų332.7 Ų32.72%0.01516%0.161CC..Hα-helixtrans-63.7-43.7-179.8-58-52.8000111.3W507 F558 R566 D616 F748W507-I562 HydrophobicContact CZ2-CD1 4.41Å; F558-I562 HydrophobicContact CE2-CG1 4.34Å; F558-I562 HydrophobicContact CZ-CG1 4.24Å; F558-I562 WeakPolarHBondContact O-CG1 3.39Å; F558-I562 PolarHBondContact O-N 2.86Å; F558-I562 VanDerWaalsContact O-N 3.13Å; I562-R566 WeakPolarHBondContact O-CG 3.29Å; I562-R566 PolarHBondContact O-N 3.08Å; I562-R566 VanDerWaalsContact O-N 3.09Å; I562-D616 HydrophobicContact CG2-CB 4.14Å; I562-F748 HydrophobicContact CD1-CE1 4.23Å; I562-F748 HydrophobicContact CD1-CZ 3.73Å; I562-F748 HydrophobicContact CG1-CZ 4.22Å
563K96.3Very high96.3Very high116 Ų11632.7 Ų32.750%0.50415%0.154SC..Hα-helixtrans-57.2-56.5176.5178179.2177.2178.20111.6N559 R560 L561 Q565 R566 D567N559-K563 VanDerWaalsContact O-CB 3.27Å; N559-K563 WeakPolarHBondContact O-CB 3.36Å; N559-K563 PolarHBondContact O-N 3.18Å; R560-K563 PolarHBondContact O-N 2.82Å; L561-K563 PolarHBondContact O-N 3.49Å; K563-Q565 VanDerWaalsContact C-N 3.3Å; K563-Q565 PolarHBondContact O-N 2.77Å; K563-R566 WeakPolarHBondContact O-CB 3.23Å; K563-R566 PolarHBondContact O-N 3.29Å; K563-D567 WeakPolarHBondContact CG-OD2 3.4Å; K563-D567 VanDerWaalsContact O-CG 3.26Å; K563-D567 PolarHBondContact O-N 3.05Å
564Y96.4Very high96.2Very high46 Ų4631.4 Ų31.418%0.1815%0.145CC..Hα-helixtrans-71.2-26.4-174.5-64.1-52.3000113Q33 A37 R560 L561 Y568Q33-Y564 HydrophobicContact CB-CD1 3.58Å; Q33-Y564 HydrophobicContact CB-CD2 4.01Å; Q33-Y564 HydrophobicContact CB-CE1 3.75Å; Q33-Y564 HydrophobicContact CB-CE2 4.16Å; Q33-Y564 HydrophobicContact CB-CG 3.72Å; Q33-Y564 HydrophobicContact CG-CD1 4.33Å; Q33-Y564 HydrophobicContact CG-CE1 4.07Å; Q33-Y564 VanDerWaalsContact OE1-CD1 3.23Å; A37-Y564 HydrophobicContact CB-CD2 3.66Å; A37-Y564 HydrophobicContact CB-CE2 4.25Å; R560-Y564 HydrophobicContact CB-CD2 4.08Å; R560-Y564 HydrophobicContact CB-CE2 3.88Å; R560-Y564 HydrophobicContact CG-CE2 4.13Å; R560-Y564 WeakPolarHBondContact O-CB 3.41Å; R560-Y564 WeakPolarHBondContact O-CD2 3.39Å; R560-Y564 PolarHBondContact O-N 3.4Å; L561-Y564 PolarHBondContact O-N 2.92Å; Y564-Y568 VanDerWaalsContact O-CB 3.22Å; Y564-Y568 WeakPolarHBondContact O-CB 3.37Å; Y564-Y568 PolarHBondContact O-N 2.85Å
565Q95Very high96.1Very high4 Ų431.3 Ų31.32%0.01915%0.145CC..Hα-helixtrans-65.2-45.3170.9-169.6179.7-10.100110.7L34 L561 K563 I569 L611L34-Q565 HydrophobicContact CD1-CB 3.88Å; L561-Q565 VanDerWaalsContact O-CB 3.3Å; L561-Q565 WeakPolarHBondContact O-CB 3.24Å; L561-Q565 PolarHBondContact O-N 2.65Å; K563-Q565 VanDerWaalsContact C-N 3.3Å; K563-Q565 PolarHBondContact O-N 2.77Å; Q565-I569 WeakPolarHBondContact O-CG1 3.45Å; Q565-I569 PolarHBondContact O-N 2.99Å; Q565-L611 HydrophobicContact CG-CD1 3.87Å; Q565-L611 HydrophobicContact CG-CD2 4.49Å
566R96.7Very high95.9Very high34 Ų3429.6 Ų29.613%0.12814%0.137CC..Hα-helixtrans-62.7-47174.9-74168.5168.91590.8111.6I562 K563 Y568 I569 R570 L611 L614 D616I562-R566 WeakPolarHBondContact O-CG 3.29Å; I562-R566 PolarHBondContact O-N 3.08Å; I562-R566 VanDerWaalsContact O-N 3.09Å; K563-R566 WeakPolarHBondContact O-CB 3.23Å; K563-R566 PolarHBondContact O-N 3.29Å; R566-Y568 VanDerWaalsContact C-N 3.31Å; R566-Y568 PolarHBondContact O-N 3.33Å; R566-I569 PolarHBondContact O-N 3.06Å; R566-R570 WeakPolarHBondContact O-CB 3.49Å; R566-R570 VanDerWaalsContact O-CG 3.22Å; R566-R570 WeakPolarHBondContact O-CG 3.44Å; R566-R570 PolarHBondContact O-N 3.13Å; R566-L611 HydrophobicContact CG-CB 3.87Å; R566-L611 PolarHBondContact NE-O 3.07Å; R566-L611 PolarHBondContact NH2-O 2.73Å; R566-L614 PolarHBondContact NH2-O 2.93Å; R566-D616 IonicContact CZ-OD1 3.49Å; R566-D616 IonicContact CZ-OD2 3.97Å; R566-D616 VanDerWaalsContact NH1-CG 3.35Å; R566-D616 IonicContact NH1-OD1 3.99Å; R566-D616 PolarHBondContact NH1-OD1 3.01Å; R566-D616 IonicContact NH1-OD2 3.53Å; R566-D616 PolarHBondContact NH1-OD2 3.11Å; R566-D616 IonicContact NH2-OD1 3.78Å; R566-D616 PolarHBondContact NH2-OD1 3.31Å; R566-D616 IonicContact NH2-OD2 2.74Å
567D96.7Very high95.6Very high42 Ų4232.4 Ų32.423%0.22514%0.143CC..Hα-helixtrans-63.5-37.8-178.6-65.9-15.8000111.8K563 R570 A571K563-D567 WeakPolarHBondContact CG-OD2 3.4Å; K563-D567 VanDerWaalsContact O-CG 3.26Å; K563-D567 PolarHBondContact O-N 3.05Å; D567-R570 IonicContact OD1-NH1 3.86Å; D567-R570 PolarHBondContact OD1-NH1 3.42Å; D567-A571 WeakPolarHBondContact O-CB 3.34Å; D567-A571 PolarHBondContact O-N 2.97Å
568Y96.9Very high95.2Very high1 Ų133.2 Ų33.20%0.00415%0.147CC..Hα-helixtrans-62.1-51175.5179.7-123000112.5A27 R31 L34 H408 L412 L496 L499 Y564 R566 R570 A571 L572A27-Y568 WeakPolarHBondContact O-CD2 3.37Å; R31-Y568 HydrophobicContact CB-CD2 3.91Å; R31-Y568 HydrophobicContact CB-CE2 3.69Å; R31-Y568 HydrophobicContact CG-CE2 4.19Å; L34-Y568 HydrophobicContact CD2-CD1 3.85Å; L34-Y568 HydrophobicContact CD2-CG 4.18Å; H408-Y568 PolarHBondContact CE1-OH 2.9Å; H408-Y568 AromaticContact NE2-CZ 3.65Å; H408-Y568 PolarHBondContact NE2-OH 3.29Å; L412-Y568 HydrophobicContact CD1-CE2 4.07Å; L412-Y568 WeakPolarHBondContact CD1-OH 3.27Å; L496-Y568 HydrophobicContact CD2-CE1 4.4Å; L499-Y568 HydrophobicContact CD2-CE1 4.03Å; Y564-Y568 VanDerWaalsContact O-CB 3.22Å; Y564-Y568 WeakPolarHBondContact O-CB 3.37Å; Y564-Y568 PolarHBondContact O-N 2.85Å; R566-Y568 VanDerWaalsContact C-N 3.31Å; R566-Y568 PolarHBondContact O-N 3.33Å; Y568-R570 PolarHBondContact O-N 2.95Å; Y568-A571 PolarHBondContact O-N 2.59Å; Y568-L572 HydrophobicContact CD1-CD1 4.29Å; Y568-L572 HydrophobicContact CD2-CD1 4.4Å; Y568-L572 HydrophobicContact CD2-CG 4.47Å; Y568-L572 HydrophobicContact CE1-CD1 3.7Å; Y568-L572 HydrophobicContact CE2-CD1 3.78Å; Y568-L572 HydrophobicContact CE2-CD2 4.43Å; Y568-L572 HydrophobicContact CE2-CG 3.99Å; Y568-L572 VanDerWaalsContact CZ-CD1 3.4Å; Y568-L572 PolarHBondContact O-N 3.37Å; Y568-L572 VanDerWaalsContact O-N 3.07Å; Y568-L572 WeakPolarHBondContact OH-CD1 3.44Å
569I96Very high94.6Very high1 Ų133.9 Ų33.91%0.00515%0.151CC..Hα-helixtrans-68.1-35.6-179.6-59.9-53.4000111.7Q565 R566 L572 Y573 W607 K608 L611Q565-I569 WeakPolarHBondContact O-CG1 3.45Å; Q565-I569 PolarHBondContact O-N 2.99Å; R566-I569 PolarHBondContact O-N 3.06Å; I569-L572 HydrophobicContact CD1-CD1 4.39Å; I569-L572 PolarHBondContact O-N 2.95Å; I569-Y573 VanDerWaalsContact O-CB 3.3Å; I569-Y573 WeakPolarHBondContact O-CB 3.31Å; I569-Y573 PolarHBondContact O-N 3.49Å; I569-W607 HydrophobicContact CD1-CD2 3.7Å; I569-W607 HydrophobicContact CD1-CE3 3.53Å; I569-W607 HydrophobicContact CD1-CH2 3.62Å; I569-W607 HydrophobicContact CD1-CZ2 3.76Å; I569-W607 HydrophobicContact CD1-CZ3 3.5Å; I569-W607 HydrophobicContact CG1-CD2 3.92Å; I569-W607 HydrophobicContact CG1-CE3 4.27Å; I569-W607 HydrophobicContact CG1-CG 4.34Å; I569-W607 HydrophobicContact CG1-CH2 4.49Å; I569-W607 HydrophobicContact CG1-CZ2 4.15Å; I569-W607 HydrophobicContact CG2-CB 4.22Å; I569-W607 HydrophobicContact CG2-CD2 4.39Å; I569-W607 HydrophobicContact CG2-CG 4.2Å; I569-K608 HydrophobicContact CG2-CB 3.95Å; I569-L611 HydrophobicContact CB-CD1 4.37Å; I569-L611 HydrophobicContact CG1-CD1 3.96Å
570R96.5Very high93.4Very high92 Ų9233.4 Ų33.435%0.34715%0.149SC..Hα-helixtrans-64-44.4174.9-73.3176.8-161.9137.3-7.1112.3R566 D567 Y568 Y573 G574 K608 D612R566-R570 WeakPolarHBondContact O-CB 3.49Å; R566-R570 VanDerWaalsContact O-CG 3.22Å; R566-R570 WeakPolarHBondContact O-CG 3.44Å; R566-R570 PolarHBondContact O-N 3.13Å; D567-R570 IonicContact OD1-NH1 3.86Å; D567-R570 PolarHBondContact OD1-NH1 3.42Å; Y568-R570 PolarHBondContact O-N 2.95Å; R570-Y573 PolarHBondContact O-N 3.16Å; R570-G574 PolarHBondContact O-N 3.36Å; R570-K608 HydrophobicContact CG-CD 4.13Å; R570-K608 HydrophobicContact CG-CG 3.98Å; R570-D612 IonicContact CZ-OD1 3.95Å; R570-D612 IonicContact NE-OD1 3.15Å; R570-D612 PolarHBondContact NE-OD1 3.04Å; R570-D612 IonicContact NH2-OD1 3.99Å; R570-D612 PolarHBondContact NH2-OD1 3.43Å
571A96.4Very high91.7Very high5 Ų533.2 Ų33.24%0.04115%0.151CC..Hα-helixtrans-63.2-43.5177.600000111.5E26 A27 D567 Y568 G574 W575E26-A571 HydrophobicContact CB-CB 3.93Å; A27-A571 HydrophobicContact CB-CB 3.94Å; D567-A571 WeakPolarHBondContact O-CB 3.34Å; D567-A571 PolarHBondContact O-N 2.97Å; Y568-A571 PolarHBondContact O-N 2.59Å; A571-G574 PolarHBondContact O-N 3.23Å; A571-W575 PolarHBondContact O-N 3.22Å
572L95.3Very high89.8Confident0 Ų039.1 Ų39.10%018%0.178CC..Hα-helixtrans-62.7-46174.7-75.8177.3000112.8A27 L412 L496 Y568 I569 W575 L576A27-L572 HydrophobicContact CB-CD2 3.92Å; A27-L572 HydrophobicContact CB-CG 4.22Å; L412-L572 HydrophobicContact CD2-CD2 4.06Å; L496-L572 HydrophobicContact CD1-CD1 4.06Å; L496-L572 HydrophobicContact CD2-CD1 3.55Å; L496-L572 HydrophobicContact CG-CD1 4.48Å; Y568-L572 HydrophobicContact CD1-CD1 4.29Å; Y568-L572 HydrophobicContact CD2-CD1 4.4Å; Y568-L572 HydrophobicContact CD2-CG 4.47Å; Y568-L572 HydrophobicContact CE1-CD1 3.7Å; Y568-L572 HydrophobicContact CE2-CD1 3.78Å; Y568-L572 HydrophobicContact CE2-CD2 4.43Å; Y568-L572 HydrophobicContact CE2-CG 3.99Å; Y568-L572 VanDerWaalsContact CZ-CD1 3.4Å; Y568-L572 PolarHBondContact O-N 3.37Å; Y568-L572 VanDerWaalsContact O-N 3.07Å; Y568-L572 WeakPolarHBondContact OH-CD1 3.44Å; I569-L572 HydrophobicContact CD1-CD1 4.39Å; I569-L572 PolarHBondContact O-N 2.95Å; L572-W575 PolarHBondContact O-N 3.41Å; L572-L576 WeakPolarHBondContact O-CB 3.39Å; L572-L576 WeakPolarHBondContact O-CG 3.42Å; L572-L576 PolarHBondContact O-N 2.96Å
573Y94.6Very high87.7Confident46 Ų4640.6 Ų40.618%0.1819%0.188CC..Hα-helixtrans-62.2-43.4177.3172.3-101.8000111.6I569 R570 W575 L576 K577 T601 C604 D605 K608I569-Y573 VanDerWaalsContact O-CB 3.3Å; I569-Y573 WeakPolarHBondContact O-CB 3.31Å; I569-Y573 PolarHBondContact O-N 3.49Å; R570-Y573 PolarHBondContact O-N 3.16Å; Y573-W575 VanDerWaalsContact C-N 3.33Å; Y573-W575 PolarHBondContact O-N 3.42Å; Y573-L576 PolarHBondContact O-N 2.93Å; Y573-K577 HydrophobicContact CE1-CD 4.27Å; Y573-K577 VanDerWaalsContact O-CB 3.31Å; Y573-K577 WeakPolarHBondContact O-CB 3.46Å; Y573-K577 PolarHBondContact O-N 3.26Å; Y573-T601 HydrophobicContact CD2-CG2 4.21Å; Y573-T601 HydrophobicContact CE2-CG2 3.91Å; Y573-C604 HydrophobicContact CD2-CB 4.42Å; Y573-D605 HydrophobicContact CD2-CB 3.96Å; Y573-D605 HydrophobicContact CE2-CB 3.53Å; Y573-K608 HydrophobicContact CD1-CD 4Å; Y573-K608 HydrophobicContact CE1-CD 4.5Å; Y573-K608 HydrophobicContact CG-CD 4.37Å
574G94.4Very high85.1Confident12 Ų1239.7 Ų39.712%0.12419%0.188CC..Hα-helixtrans-57.1-46.317500000111.8H23 R570 A571 L578H23-G574 VanDerWaalsContact CD2-C 3.42Å; R570-G574 PolarHBondContact O-N 3.36Å; A571-G574 PolarHBondContact O-N 3.23Å; G574-L578 WeakPolarHBondContact O-CG 3.36Å; G574-L578 PolarHBondContact O-N 3.16Å
575W95.4Very high82.5Confident0 Ų043.3 Ų43.30%022%0.22CC..Hα-helixtrans-61.7-52173.7172.576.2000112.4H23 M24 L415 E419 I484 R488 L492 A571 L572 Y573 K577 L578 T579H23-W575 HydrophobicContact CB-CB 3.82Å; M24-W575 HydrophobicContact CE-CD2 3.29Å; M24-W575 HydrophobicContact CE-CE3 3.72Å; M24-W575 HydrophobicContact CE-CG 3.66Å; M24-W575 HydrophobicContact CE-CH2 4.05Å; M24-W575 HydrophobicContact CE-CZ2 3.66Å; M24-W575 HydrophobicContact CE-CZ3 4.09Å; L415-W575 HydrophobicContact CD1-CH2 4.27Å; L415-W575 HydrophobicContact CD2-CH2 4.38Å; L415-W575 HydrophobicContact CD2-CZ2 4.3Å; E419-W575 PolarHBondContact OE1-NE1 3.35Å; I484-W575 HydrophobicContact CG2-CZ2 4.02Å; R488-W575 HydrophobicContact CB-CH2 3.92Å; R488-W575 HydrophobicContact CG-CH2 3.63Å; R488-W575 HydrophobicContact CG-CZ3 3.99Å; L492-W575 HydrophobicContact CD2-CE3 4.47Å; L492-W575 HydrophobicContact CD2-CH2 4.04Å; L492-W575 HydrophobicContact CD2-CZ3 3.55Å; A571-W575 PolarHBondContact O-N 3.22Å; L572-W575 PolarHBondContact O-N 3.41Å; Y573-W575 VanDerWaalsContact C-N 3.33Å; Y573-W575 PolarHBondContact O-N 3.42Å; W575-K577 VanDerWaalsContact C-N 3.34Å; W575-K577 PolarHBondContact O-N 2.91Å; W575-L578 PolarHBondContact O-N 3.22Å; W575-T579 HydrophobicContact CD2-CG2 4.19Å; W575-T579 HydrophobicContact CZ2-CG2 3.91Å; W575-T579 WeakPolarHBondContact O-CG2 3.46Å; W575-T579 PolarHBondContact O-N 3.42Å; W575-T579 VanDerWaalsContact O-N 3.11Å
576L92.5Very high79.9Confident0 Ų050.6 Ų50.60%026%0.259CS..Hα-helixtrans-57.1-45.2-178.8-77.5170.9000112.1R488 L572 Y573 L578 T579 L580 L600 T601 C604R488-L576 HydrophobicContact CG-CD2 4.21Å; L572-L576 WeakPolarHBondContact O-CB 3.39Å; L572-L576 WeakPolarHBondContact O-CG 3.42Å; L572-L576 PolarHBondContact O-N 2.96Å; Y573-L576 PolarHBondContact O-N 2.93Å; L576-L578 PolarHBondContact O-N 2.85Å; L576-T579 PolarHBondContact O-N 3.1Å; L576-T579 PolarHBondContact O-OG1 3.37Å; L576-L580 PolarHBondContact O-N 2.94Å; L576-L600 HydrophobicContact CD1-CD2 4.22Å; L576-L600 HydrophobicContact CD1-CG 3.95Å; L576-L600 HydrophobicContact CD2-CD2 3.74Å; L576-L600 HydrophobicContact CD2-CG 4.26Å; L576-T601 HydrophobicContact CB-CG2 4.33Å; L576-C604 HydrophobicContact CD1-CB 3.94Å; L576-C604 WeakPolarHBondContact CD1-SG 3.47Å
577K91.1Very high77.6Confident105 Ų10554 Ų5446%0.45728%0.279SS..Hα-helixtrans-56.3-38.1177.5-175.5177.9179.3179.30112.2Y573 W575 F581Y573-K577 HydrophobicContact CE1-CD 4.27Å; Y573-K577 VanDerWaalsContact O-CB 3.31Å; Y573-K577 WeakPolarHBondContact O-CB 3.46Å; Y573-K577 PolarHBondContact O-N 3.26Å; W575-K577 VanDerWaalsContact C-N 3.34Å; W575-K577 PolarHBondContact O-N 2.91Å; K577-F581 WeakPolarHBondContact O-CD2 3.4Å
578L89Confident75.1Confident39 Ų3957.1 Ų57.120%0.20430%0.302CS..Hα-helixtrans-78.1-21.4177.3-64.2174.3000113.3R16 E19 R20 G574 W575 L576 L580R16-L578 VanDerWaalsContact CZ-O 3.3Å; R16-L578 PolarHBondContact NE-O 3.41Å; R16-L578 PolarHBondContact NH2-O 2.89Å; E19-L578 HydrophobicContact CB-CD1 3.93Å; E19-L578 HydrophobicContact CG-CD1 3.35Å; R20-L578 HydrophobicContact CG-CB 3.55Å; R20-L578 HydrophobicContact CG-CD1 4.11Å; G574-L578 WeakPolarHBondContact O-CG 3.36Å; G574-L578 PolarHBondContact O-N 3.16Å; W575-L578 PolarHBondContact O-N 3.22Å; L576-L578 PolarHBondContact O-N 2.85Å; L578-L580 VanDerWaalsContact C-N 3.34Å
579T84.3Confident72.7Confident18 Ų1863.6 Ų63.611%0.1133%0.332CS..Hα-helixtrans-75.9-21.1172.767.60000113.5R488 W575 L576 F581R488-T579 PolarHBondContact NH1-OG1 3.43Å; W575-T579 HydrophobicContact CD2-CG2 4.19Å; W575-T579 HydrophobicContact CZ2-CG2 3.91Å; W575-T579 WeakPolarHBondContact O-CG2 3.46Å; W575-T579 PolarHBondContact O-N 3.42Å; W575-T579 VanDerWaalsContact O-N 3.11Å; L576-T579 PolarHBondContact O-N 3.1Å; L576-T579 PolarHBondContact O-OG1 3.37Å; T579-F581 PolarHBondContact O-N 3.21Å
580L70.8Confident70.3Confident41 Ų4172.5 Ų72.522%0.21537%0.373CS..SBendtrans-71.1-22.3-176.1-75.2177.3000115.1L576 L578 T593 S597 T601L576-L580 PolarHBondContact O-N 2.94Å; L578-L580 VanDerWaalsContact C-N 3.34Å; L580-T593 HydrophobicContact CB-CG2 4.44Å; L580-T593 HydrophobicContact CD2-CG2 3.58Å; L580-T593 WeakPolarHBondContact O-CG2 3.43Å; L580-S597 VanDerWaalsContact CD2-OG 3.23Å; L580-S597 WeakPolarHBondContact CD2-OG 3.43Å; L580-T601 HydrophobicContact CD1-CG2 3.7Å
581F60.7Low68Low90 Ų9071.4 Ų71.440%0.39538%0.384SS..SBendtrans-106120.9175.5-31.2-129.9000109.7R16 K577 T579R16-F581 PolarHBondContact NE-O 3.2Å; R16-F581 VanDerWaalsContact NH2-CG 3.33Å; R16-F581 PolarHBondContact NH2-O 3.34Å; R16-F581 VanDerWaalsContact NH2-O 3.11Å; K577-F581 WeakPolarHBondContact O-CD2 3.4Å; T579-F581 PolarHBondContact O-N 3.21Å
582Q55.1Low65.8Low127 Ų12778.1 Ų78.159%0.59341%0.409SS*.  trans-70.2151.8176.8-69.2-170.8-6.400111D584Q582-D584 PolarHBondContact O-N 3.26Å
583V51.4Low64.2Low34 Ų3480.7 Ų80.721%0.20643%0.425CS..SBendtrans-77.91.4-167.4173.30000113.3T13T13-V583 VanDerWaalsContact CB-CG1 3.46Å; T13-V583 HydrophobicContact CG2-CG1 3.37Å
584D42.9Very low63Low97 Ų9780.3 Ų80.352%0.51943%0.429SS..  trans-118.1116.2-177.3-65.8-42.4000112.4R429 Q582 N586R429-D584 IonicContact NH1-OD1 3.98Å; Q582-D584 PolarHBondContact O-N 3.26Å; D584-N586 VanDerWaalsContact C-N 3.27Å; D584-N586 PolarHBondContact O-N 3.27Å
585S40Very low62.3Low121 Ų12185.1 Ų85.185%0.84645%0.451SS*.THydrogen-bonded Turntrans-75.118.3-168.2-49.60000117.1
586N42.1Very low61.8Low157 Ų15788.2 Ų88.284%0.8447%0.467SS*.THydrogen-bonded Turntrans-118.713.4-167.6-76.1-23.7000116.2D584D584-N586 VanDerWaalsContact C-N 3.27Å; D584-N586 PolarHBondContact O-N 3.27Å
587I48.2Very low61.3Low105 Ų10588.2 Ų88.254%0.53847%0.467SS..SBendtrans-138.5134.6179.7-47.7176.7000110.8Q589 Y592I587-Q589 PolarHBondContact O-N 2.95Å; I587-Y592 HydrophobicContact CD1-CE2 4.32Å; I587-Y592 HydrophobicContact CG2-CD2 4.37Å; I587-Y592 HydrophobicContact CG2-CE2 3.79Å
588P43.3Very low61Low109 Ų10990.3 Ų90.371%0.70847%0.473SS*.  trans-53.2129.5175.9-24.533.5000111.8E590P588-E590 PolarHBondContact O-N 3.17Å
589Q46.2Very low61Low136 Ų13690.8 Ų90.864%0.63647%0.473SS*.THydrogen-bonded Turntrans-59.1-3.3-162.7-167.2173.4-10.400117I587I587-Q589 PolarHBondContact O-N 2.95Å
590E46.2Very low61.2Low188 Ų18889.9 Ų89.988%0.87947%0.468SS*.THydrogen-bonded Turntrans-103.4-6.2-168.7-64.5-169.1160.800115P588P588-E590 PolarHBondContact O-N 3.17Å
591A47.2Very low62.2Low70 Ų7088.4 Ų88.458%0.57946%0.461SS*.SBendtrans-99-6.5-167.600000116.7
592Y50.3Low63.6Low145 Ų14587.4 Ų87.457%0.56946%0.462SS*.SBendtrans-137.41.6-169.8-61.9-83.3000116.6I587 S594I587-Y592 HydrophobicContact CD1-CE2 4.32Å; I587-Y592 HydrophobicContact CG2-CD2 4.37Å; I587-Y592 HydrophobicContact CG2-CE2 3.79Å; Y592-S594 PolarHBondContact O-N 2.94Å
593T61.8Low65.4Low55 Ų5581.6 Ų81.634%0.33744%0.435SS..SBendtrans-80.7119.6176.6-13.90000109L580 L595L580-T593 HydrophobicContact CB-CG2 4.44Å; L580-T593 HydrophobicContact CD2-CG2 3.58Å; L580-T593 WeakPolarHBondContact O-CG2 3.43Å; T593-L595 PolarHBondContact O-N 3.07Å
594S70.3Confident67.4Low37 Ų3780 Ų8026%0.25943%0.426SS..  trans-56.2134.917862.80000109.7R488 D489 Y592 I596 S597 R598R488-S594 PolarHBondContact NH2-OG 3.46Å; R488-S594 VanDerWaalsContact NH2-OG 3.12Å; D489-S594 PolarHBondContact OD2-OG 3.1Å; Y592-S594 PolarHBondContact O-N 2.94Å; S594-I596 PolarHBondContact O-N 3.46Å; S594-S597 VanDerWaalsContact O-CB 3.3Å; S594-S597 WeakPolarHBondContact O-CB 3.43Å; S594-S597 PolarHBondContact O-N 3.47Å; S594-S597 WeakPolarHBondContact OG-CB 3.48Å; S594-S597 PolarHBondContact OG-N 3.29Å; S594-R598 PolarHBondContact O-N 3.06Å
595L80.7Confident69.8Low113 Ų11377.5 Ų77.559%0.59241%0.412SS*.Hα-helixtrans-51.1-42.7178.4-75.4172.9000110.7T593 S597 R598 E599T593-L595 PolarHBondContact O-N 3.07Å; L595-S597 VanDerWaalsContact C-N 3.31Å; L595-S597 PolarHBondContact O-N 3.39Å; L595-R598 PolarHBondContact O-N 3.35Å; L595-R598 VanDerWaalsContact O-N 3.07Å; L595-E599 WeakPolarHBondContact O-CG 3.49Å; L595-E599 PolarHBondContact O-N 2.9Å
596I83Confident72.4Confident65 Ų6573.7 Ų73.733%0.33338%0.381SS..Hα-helixtrans-53.5-44.8174.9-57.5171.1000111.7D489 A493 S594 R598 E599 L600D489-I596 HydrophobicContact CB-CB 4.42Å; D489-I596 HydrophobicContact CB-CD1 4.14Å; D489-I596 HydrophobicContact CB-CG2 3.89Å; A493-I596 HydrophobicContact CB-CG2 4.37Å; S594-I596 PolarHBondContact O-N 3.46Å; I596-R598 VanDerWaalsContact C-N 3.33Å; I596-R598 PolarHBondContact O-N 3.02Å; I596-E599 PolarHBondContact O-N 3.25Å; I596-L600 WeakPolarHBondContact O-CB 3.34Å; I596-L600 PolarHBondContact O-N 3.07Å
597S83.4Confident74.9Confident0 Ų066.3 Ų66.30%034%0.341CS..Hα-helixtrans-62.9-40.8179.3-167.60000112.4R488 L580 S594 L595 T601R488-S597 VanDerWaalsContact CZ-OG 3.23Å; R488-S597 PolarHBondContact NH1-OG 3.15Å; L580-S597 VanDerWaalsContact CD2-OG 3.23Å; L580-S597 WeakPolarHBondContact CD2-OG 3.43Å; S594-S597 VanDerWaalsContact O-CB 3.3Å; S594-S597 WeakPolarHBondContact O-CB 3.43Å; S594-S597 PolarHBondContact O-N 3.47Å; S594-S597 WeakPolarHBondContact OG-CB 3.48Å; S594-S597 PolarHBondContact OG-N 3.29Å; L595-S597 VanDerWaalsContact C-N 3.31Å; L595-S597 PolarHBondContact O-N 3.39Å; S597-T601 WeakPolarHBondContact O-CB 3.47Å; S597-T601 PolarHBondContact O-N 2.9Å; S597-T601 PolarHBondContact O-OG1 3.49Å
598R84.7Confident77.2Confident150 Ų15063.7 Ų63.757%0.56633%0.326SS*.Hα-helixtrans-69.3-46-179.9-174.2177.665.6163.81.1110S594 L595 I596 T601 T602S594-R598 PolarHBondContact O-N 3.06Å; L595-R598 PolarHBondContact O-N 3.35Å; L595-R598 VanDerWaalsContact O-N 3.07Å; I596-R598 VanDerWaalsContact C-N 3.33Å; I596-R598 PolarHBondContact O-N 3.02Å; R598-T601 PolarHBondContact O-N 3.02Å; R598-T602 PolarHBondContact O-N 2.52Å; R598-T602 PolarHBondContact O-OG1 3.25Å; R598-T602 VanDerWaalsContact O-OG1 3.09Å
599E87.8Confident79.7Confident48 Ų4861.7 Ų61.722%0.22431%0.307CS..Hα-helixtrans-63.2-44.4178.5-69170.9145.100111.6L595 I596 T601 T602 F603 S765 V766L595-E599 WeakPolarHBondContact O-CG 3.49Å; L595-E599 PolarHBondContact O-N 2.9Å; I596-E599 PolarHBondContact O-N 3.25Å; E599-T601 VanDerWaalsContact C-N 3.34Å; E599-T601 PolarHBondContact O-N 3.4Å; E599-T602 PolarHBondContact O-N 3.23Å; E599-F603 VanDerWaalsContact O-CB 3.32Å; E599-F603 WeakPolarHBondContact O-CB 3.45Å; E599-F603 PolarHBondContact O-N 3Å; E599-S765 VanDerWaalsContact OE1-O 3.1Å; E599-S765 PolarHBondContact OE1-OG 3.44Å; E599-V766 HydrophobicContact CB-CG2 4.05Å
600L89.9Confident82Confident0 Ų056 Ų560%028%0.283CS..Hα-helixtrans-62.8-39.5175.8-17664.1000112.2R488 A493 L496 L576 I596 F603 C604 V766R488-L600 HydrophobicContact CG-CD2 4.01Å; A493-L600 HydrophobicContact CB-CD1 4.04Å; A493-L600 HydrophobicContact CB-CD2 3.97Å; L496-L600 HydrophobicContact CD1-CD1 4.16Å; L576-L600 HydrophobicContact CD1-CD2 4.22Å; L576-L600 HydrophobicContact CD1-CG 3.95Å; L576-L600 HydrophobicContact CD2-CD2 3.74Å; L576-L600 HydrophobicContact CD2-CG 4.26Å; I596-L600 WeakPolarHBondContact O-CB 3.34Å; I596-L600 PolarHBondContact O-N 3.07Å; L600-F603 HydrophobicContact CD1-CD1 4.32Å; L600-F603 PolarHBondContact O-N 2.99Å; L600-C604 PolarHBondContact O-N 2.74Å; L600-C604 PolarHBondContact O-SG 3.01Å; L600-V766 HydrophobicContact CD1-CG1 4.24Å
601T90.7Very high84.2Confident10 Ų1047.2 Ų47.26%0.06124%0.242CC..Hα-helixtrans-67.6-43.4177.6-54.20000111.1Y573 L576 L580 S597 R598 E599 F603 C604 D605Y573-T601 HydrophobicContact CD2-CG2 4.21Å; Y573-T601 HydrophobicContact CE2-CG2 3.91Å; L576-T601 HydrophobicContact CB-CG2 4.33Å; L580-T601 HydrophobicContact CD1-CG2 3.7Å; S597-T601 WeakPolarHBondContact O-CB 3.47Å; S597-T601 PolarHBondContact O-N 2.9Å; S597-T601 PolarHBondContact O-OG1 3.49Å; R598-T601 PolarHBondContact O-N 3.02Å; E599-T601 VanDerWaalsContact C-N 3.34Å; E599-T601 PolarHBondContact O-N 3.4Å; T601-F603 VanDerWaalsContact C-N 3.35Å; T601-C604 PolarHBondContact O-N 3.46Å; T601-D605 WeakPolarHBondContact O-CB 3.39Å; T601-D605 PolarHBondContact O-N 3.28Å
602T91.3Very high86.5Confident69 Ų6946.7 Ų46.742%0.42323%0.23SC..Hα-helixtrans-60.8-44.7173.9-60.50000111R598 E599 C604 D605 E606R598-T602 PolarHBondContact O-N 2.52Å; R598-T602 PolarHBondContact O-OG1 3.25Å; R598-T602 VanDerWaalsContact O-OG1 3.09Å; E599-T602 PolarHBondContact O-N 3.23Å; T602-C604 PolarHBondContact O-N 3.07Å; T602-D605 WeakPolarHBondContact O-CB 3.45Å; T602-D605 PolarHBondContact O-N 3.46Å; T602-E606 HydrophobicContact CG2-CG 4.46Å; T602-E606 WeakPolarHBondContact O-CG 3.41Å; T602-E606 PolarHBondContact O-N 2.96Å
603F92.6Very high88.5Confident5 Ų549.1 Ų49.12%0.02224%0.238CC..Hα-helixtrans-58.8-46.2176.6171.1-102.6000112.2L496 V497 C500 E599 L600 T601 D605 E606 W607 V759 A763 V766L496-F603 HydrophobicContact CB-CE1 4.45Å; V497-F603 HydrophobicContact CG2-CE1 4.3Å; V497-F603 HydrophobicContact CG2-CZ 4.34Å; C500-F603 HydrophobicContact CB-CE2 4.5Å; C500-F603 HydrophobicContact CB-CZ 3.67Å; E599-F603 VanDerWaalsContact O-CB 3.32Å; E599-F603 WeakPolarHBondContact O-CB 3.45Å; E599-F603 PolarHBondContact O-N 3Å; L600-F603 HydrophobicContact CD1-CD1 4.32Å; L600-F603 PolarHBondContact O-N 2.99Å; T601-F603 VanDerWaalsContact C-N 3.35Å; F603-D605 VanDerWaalsContact C-N 3.35Å; F603-D605 PolarHBondContact O-N 3.25Å; F603-E606 PolarHBondContact O-N 3.39Å; F603-W607 AromaticContact CE1-CE3 3.84Å; F603-W607 HydrophobicContact CE1-CE3 3.84Å; F603-W607 HydrophobicContact CE1-CZ3 4.2Å; F603-W607 HydrophobicContact CZ-CE3 4.06Å; F603-W607 HydrophobicContact CZ-CZ3 4.44Å; F603-W607 WeakPolarHBondContact O-CB 3.39Å; F603-W607 PolarHBondContact O-N 3.34Å; F603-V759 HydrophobicContact CD2-CG1 3.97Å; F603-V759 HydrophobicContact CE2-CG1 3.56Å; F603-V759 HydrophobicContact CZ-CG1 4.26Å; F603-A763 HydrophobicContact CD2-CB 3.73Å; F603-A763 HydrophobicContact CE2-CB 3.5Å; F603-A763 HydrophobicContact CZ-CB 4.46Å; F603-V766 HydrophobicContact CB-CG2 3.88Å; F603-V766 HydrophobicContact CG-CG2 4.29Å
604C93.2Very high90Very high1 Ų147.1 Ų47.11%0.00723%0.225CC..Hα-helixtrans-68.2-32.9177.1-66.50000112.7Y573 L576 L600 T601 T602 K608Y573-C604 HydrophobicContact CD2-CB 4.42Å; L576-C604 HydrophobicContact CD1-CB 3.94Å; L576-C604 WeakPolarHBondContact CD1-SG 3.47Å; L600-C604 PolarHBondContact O-N 2.74Å; L600-C604 PolarHBondContact O-SG 3.01Å; T601-C604 PolarHBondContact O-N 3.46Å; T602-C604 PolarHBondContact O-N 3.07Å; C604-K608 VanDerWaalsContact O-CB 3.24Å; C604-K608 WeakPolarHBondContact O-CB 3.46Å; C604-K608 PolarHBondContact O-N 3.15Å
605D93.8Very high91Very high44 Ų4448.2 Ų48.224%0.23523%0.231CC..Hα-helixtrans-65.8-47.4174.2-170.120.7000111.4Y573 T601 T602 F603 W607 K608 Q609Y573-D605 HydrophobicContact CD2-CB 3.96Å; Y573-D605 HydrophobicContact CE2-CB 3.53Å; T601-D605 WeakPolarHBondContact O-CB 3.39Å; T601-D605 PolarHBondContact O-N 3.28Å; T602-D605 WeakPolarHBondContact O-CB 3.45Å; T602-D605 PolarHBondContact O-N 3.46Å; F603-D605 VanDerWaalsContact C-N 3.35Å; F603-D605 PolarHBondContact O-N 3.25Å; D605-W607 VanDerWaalsContact C-N 3.33Å; D605-W607 PolarHBondContact O-N 3.28Å; D605-K608 WeakPolarHBondContact O-CB 3.42Å; D605-K608 PolarHBondContact O-N 3.4Å; D605-Q609 WeakPolarHBondContact O-CB 3.45Å; D605-Q609 VanDerWaalsContact O-CG 3.29Å; D605-Q609 WeakPolarHBondContact O-CG 3.27Å; D605-Q609 PolarHBondContact O-N 3.01Å; D605-Q609 PolarHBondContact OD1-NE2 3.06Å; D605-Q609 PolarHBondContact OD2-NE2 3.44Å; D605-Q609 VanDerWaalsContact OD2-NE2 3.12Å
606E93.7Very high91.6Very high41 Ų4144.4 Ų44.419%0.19221%0.211CC..Hα-helixtrans-61.4-43.4175.9-70.9-175.7161.900111.3T602 F603 Q609 A610 V759 R762T602-E606 HydrophobicContact CG2-CG 4.46Å; T602-E606 WeakPolarHBondContact O-CG 3.41Å; T602-E606 PolarHBondContact O-N 2.96Å; F603-E606 PolarHBondContact O-N 3.39Å; E606-Q609 PolarHBondContact O-N 3.3Å; E606-A610 VanDerWaalsContact O-CB 3.27Å; E606-A610 WeakPolarHBondContact O-CB 3.36Å; E606-A610 PolarHBondContact O-N 3.28Å; E606-V759 HydrophobicContact CB-CG2 4.41Å; E606-R762 VanDerWaalsContact CD-CD 3.48Å; E606-R762 VanDerWaalsContact OE1-CD 3.23Å; E606-R762 WeakPolarHBondContact OE1-CD 3.35Å; E606-R762 IonicContact OE1-CZ 2.59Å; E606-R762 IonicContact OE1-NE 3.8Å; E606-R762 IonicContact OE1-NH1 2.9Å; E606-R762 PolarHBondContact OE1-NH1 3.31Å; E606-R762 WeakPolarHBondContact OE2-CB 3.48Å; E606-R762 WeakPolarHBondContact OE2-CD 3.48Å; E606-R762 IonicContact OE2-NH1 3.81Å
607W95.4Very high92.1Very high2 Ų244.4 Ų44.41%0.00822%0.221CC..Hα-helixtrans-61.3-46.9175.3-168.81.9000111.7L499 C500 L503 I569 F603 D605 Q609 A610 L611 V759L499-W607 HydrophobicContact CD2-CH2 4.26Å; L499-W607 HydrophobicContact CG-CH2 4.24Å; C500-W607 HydrophobicContact CB-CE3 4.2Å; C500-W607 HydrophobicContact CB-CH2 3.86Å; C500-W607 HydrophobicContact CB-CZ2 4.26Å; C500-W607 HydrophobicContact CB-CZ3 3.82Å; L503-W607 HydrophobicContact CD1-CH2 4.05Å; L503-W607 HydrophobicContact CD1-CZ2 3.55Å; I569-W607 HydrophobicContact CD1-CD2 3.7Å; I569-W607 HydrophobicContact CD1-CE3 3.53Å; I569-W607 HydrophobicContact CD1-CH2 3.62Å; I569-W607 HydrophobicContact CD1-CZ2 3.76Å; I569-W607 HydrophobicContact CD1-CZ3 3.5Å; I569-W607 HydrophobicContact CG1-CD2 3.92Å; I569-W607 HydrophobicContact CG1-CE3 4.27Å; I569-W607 HydrophobicContact CG1-CG 4.34Å; I569-W607 HydrophobicContact CG1-CH2 4.49Å; I569-W607 HydrophobicContact CG1-CZ2 4.15Å; I569-W607 HydrophobicContact CG2-CB 4.22Å; I569-W607 HydrophobicContact CG2-CD2 4.39Å; I569-W607 HydrophobicContact CG2-CG 4.2Å; F603-W607 AromaticContact CE1-CE3 3.84Å; F603-W607 HydrophobicContact CE1-CE3 3.84Å; F603-W607 HydrophobicContact CE1-CZ3 4.2Å; F603-W607 HydrophobicContact CZ-CE3 4.06Å; F603-W607 HydrophobicContact CZ-CZ3 4.44Å; F603-W607 WeakPolarHBondContact O-CB 3.39Å; F603-W607 PolarHBondContact O-N 3.34Å; D605-W607 VanDerWaalsContact C-N 3.33Å; D605-W607 PolarHBondContact O-N 3.28Å; W607-Q609 PolarHBondContact O-N 3.28Å; W607-A610 WeakPolarHBondContact O-CB 3.27Å; W607-A610 PolarHBondContact O-N 3.12Å; W607-L611 WeakPolarHBondContact O-CG 2.97Å; W607-L611 PolarHBondContact O-N 3.24Å; W607-V759 HydrophobicContact CB-CG1 3.87Å; W607-V759 HydrophobicContact CG-CG1 4.3Å
608K95.5Very high92.5Very high50 Ų5048.2 Ų48.222%0.21725%0.248CC..Hα-helixtrans-56-51.1175.2179.6-166.4159.1-62.60111I569 R570 Y573 C604 D605 A610 L611 D612I569-K608 HydrophobicContact CG2-CB 3.95Å; R570-K608 HydrophobicContact CG-CD 4.13Å; R570-K608 HydrophobicContact CG-CG 3.98Å; Y573-K608 HydrophobicContact CD1-CD 4Å; Y573-K608 HydrophobicContact CE1-CD 4.5Å; Y573-K608 HydrophobicContact CG-CD 4.37Å; C604-K608 VanDerWaalsContact O-CB 3.24Å; C604-K608 WeakPolarHBondContact O-CB 3.46Å; C604-K608 PolarHBondContact O-N 3.15Å; D605-K608 WeakPolarHBondContact O-CB 3.42Å; D605-K608 PolarHBondContact O-N 3.4Å; K608-A610 VanDerWaalsContact C-N 3.32Å; K608-A610 PolarHBondContact O-N 3.09Å; K608-L611 PolarHBondContact O-N 3.48Å; K608-D612 IonicContact NZ-OD2 2.65Å; K608-D612 PolarHBondContact NZ-OD2 2.78Å; K608-D612 WeakPolarHBondContact O-CB 3.26Å; K608-D612 VanDerWaalsContact O-CG 3.26Å; K608-D612 PolarHBondContact O-N 2.87Å
609Q95.2Very high93Very high67 Ų6741.1 Ų41.131%0.31322%0.221SC..Hα-helixtrans-63.4-37.8-179.3-70.5176.940.600112.3D605 E606 W607 D612 R613D605-Q609 WeakPolarHBondContact O-CB 3.45Å; D605-Q609 VanDerWaalsContact O-CG 3.29Å; D605-Q609 WeakPolarHBondContact O-CG 3.27Å; D605-Q609 PolarHBondContact O-N 3.01Å; D605-Q609 PolarHBondContact OD1-NE2 3.06Å; D605-Q609 PolarHBondContact OD2-NE2 3.44Å; D605-Q609 VanDerWaalsContact OD2-NE2 3.12Å; E606-Q609 PolarHBondContact O-N 3.3Å; W607-Q609 PolarHBondContact O-N 3.28Å; Q609-D612 PolarHBondContact O-N 2.93Å; Q609-R613 VanDerWaalsContact O-CG 3.25Å; Q609-R613 WeakPolarHBondContact O-CG 3.38Å; Q609-R613 PolarHBondContact O-N 2.94Å
610A94.6Very high93.3Very high15 Ų1539.2 Ų39.212%0.12421%0.213CC..Hα-helixtrans-60.8-46.417500000111.2E606 W607 K608 R613 A755 V759E606-A610 VanDerWaalsContact O-CB 3.27Å; E606-A610 WeakPolarHBondContact O-CB 3.36Å; E606-A610 PolarHBondContact O-N 3.28Å; W607-A610 WeakPolarHBondContact O-CB 3.27Å; W607-A610 PolarHBondContact O-N 3.12Å; K608-A610 VanDerWaalsContact C-N 3.32Å; K608-A610 PolarHBondContact O-N 3.09Å; A610-R613 PolarHBondContact O-N 3.31Å; A610-A755 HydrophobicContact CB-CB 4.14Å; A610-V759 HydrophobicContact CB-CG2 3.66Å
611L94.1Very high93.6Very high5 Ų544.2 Ų44.23%0.02624%0.236CC..Hα-helixtrans-68.7-36.8177.6-65.4178000113.3Q565 R566 I569 W607 K608 R613 L614Q565-L611 HydrophobicContact CG-CD1 3.87Å; Q565-L611 HydrophobicContact CG-CD2 4.49Å; R566-L611 HydrophobicContact CG-CB 3.87Å; R566-L611 PolarHBondContact NE-O 3.07Å; R566-L611 PolarHBondContact NH2-O 2.73Å; I569-L611 HydrophobicContact CB-CD1 4.37Å; I569-L611 HydrophobicContact CG1-CD1 3.96Å; W607-L611 WeakPolarHBondContact O-CG 2.97Å; W607-L611 PolarHBondContact O-N 3.24Å; K608-L611 PolarHBondContact O-N 3.48Å; L611-R613 PolarHBondContact O-N 3.48Å; L611-L614 HydrophobicContact CD2-CD1 3.77Å; L611-L614 PolarHBondContact O-N 2.82Å
612D93.5Very high93.8Very high59 Ų5944.7 Ų44.732%0.31624%0.241SC..Hα-helixtrans-66.2-24.7178.3-73.5-24000112.3R570 K608 Q609R570-D612 IonicContact CZ-OD1 3.95Å; R570-D612 IonicContact NE-OD1 3.15Å; R570-D612 PolarHBondContact NE-OD1 3.04Å; R570-D612 IonicContact NH2-OD1 3.99Å; R570-D612 PolarHBondContact NH2-OD1 3.43Å; K608-D612 IonicContact NZ-OD2 2.65Å; K608-D612 PolarHBondContact NZ-OD2 2.78Å; K608-D612 WeakPolarHBondContact O-CB 3.26Å; K608-D612 VanDerWaalsContact O-CG 3.26Å; K608-D612 PolarHBondContact O-N 2.87Å; Q609-D612 PolarHBondContact O-N 2.93Å
613R93.4Very high94.1Very high196 Ų19641.4 Ų41.474%0.7422%0.221SC*.THydrogen-bonded Turntrans-91.7-3.6-179.6-68.9174.1-170.7-174.87.1114.6Q609 A610 L611Q609-R613 VanDerWaalsContact O-CG 3.25Å; Q609-R613 WeakPolarHBondContact O-CG 3.38Å; Q609-R613 PolarHBondContact O-N 2.94Å; A610-R613 PolarHBondContact O-N 3.31Å; L611-R613 PolarHBondContact O-N 3.48Å
614L92.7Very high94.2Very high12 Ų1245.3 Ų45.36%0.06324%0.238CC..  trans-64.5137.8-178.2-66.6175.3000111.7R566 L611 D616 F748 V752 A755R566-L614 PolarHBondContact NH2-O 2.93Å; L611-L614 HydrophobicContact CD2-CD1 3.77Å; L611-L614 PolarHBondContact O-N 2.82Å; L614-D616 PolarHBondContact O-N 3.15Å; L614-F748 HydrophobicContact CB-CE2 4.28Å; L614-V752 HydrophobicContact CD1-CG2 4Å; L614-V752 HydrophobicContact CD2-CB 4.38Å; L614-V752 HydrophobicContact CD2-CG2 3.85Å; L614-A755 HydrophobicContact CD2-CB 3.89Å
615P92.1Very high94.4Very high61 Ų6148.4 Ų48.440%0.39626%0.26SS..  trans-83.253.8177.435.4-36.1000112A617 S618 T751P615-A617 VanDerWaalsContact C-N 3.27Å; P615-A617 PolarHBondContact O-N 3.14Å; P615-S618 PolarHBondContact O-N 3.28Å; P615-T751 WeakPolarHBondContact CD-OG1 3.42Å; P615-T751 HydrophobicContact CG-CG2 4.06Å
616D92Very high94.5Very high32 Ų3246.7 Ų46.717%0.17125%0.25CS..Hα-helixtrans-65.5-27.8-17756.7-47.7000113.4I562 R566 L614 S618 A619 S620 F748I562-D616 HydrophobicContact CG2-CB 4.14Å; R566-D616 IonicContact CZ-OD1 3.49Å; R566-D616 IonicContact CZ-OD2 3.97Å; R566-D616 VanDerWaalsContact NH1-CG 3.35Å; R566-D616 IonicContact NH1-OD1 3.99Å; R566-D616 PolarHBondContact NH1-OD1 3.01Å; R566-D616 IonicContact NH1-OD2 3.53Å; R566-D616 PolarHBondContact NH1-OD2 3.11Å; R566-D616 IonicContact NH2-OD1 3.78Å; R566-D616 PolarHBondContact NH2-OD1 3.31Å; R566-D616 IonicContact NH2-OD2 2.74Å; L614-D616 PolarHBondContact O-N 3.15Å; D616-S618 VanDerWaalsContact C-N 3.32Å; D616-S618 PolarHBondContact O-N 2.88Å; D616-A619 PolarHBondContact O-N 3.34Å; D616-S620 VanDerWaalsContact O-CB 3.31Å; D616-S620 WeakPolarHBondContact O-CB 3.46Å; D616-S620 PolarHBondContact O-N 3Å; D616-F748 HydrophobicContact CB-CE2 3.74Å; D616-F748 HydrophobicContact CB-CZ 4.3Å
617A93.7Very high94.6Very high66 Ų6645.6 Ų45.655%0.54525%0.246SC..Hα-helixtrans-59.5-39.9176.900000112.9P615 S620 E621P615-A617 VanDerWaalsContact C-N 3.27Å; P615-A617 PolarHBondContact O-N 3.14Å; A617-S620 PolarHBondContact O-N 2.95Å; A617-E621 WeakPolarHBondContact O-CB 3.26Å; A617-E621 WeakPolarHBondContact O-CG 3.49Å; A617-E621 PolarHBondContact O-N 2.97Å
618S92.1Very high94.6Very high79 Ų7949.9 Ų49.955%0.55227%0.269SS*.Hα-helixtrans-65.8-46.6-179.5-177.40000111.7P615 D616 A622P615-S618 PolarHBondContact O-N 3.28Å; D616-S618 VanDerWaalsContact C-N 3.32Å; D616-S618 PolarHBondContact O-N 2.88Å; S618-A622 WeakPolarHBondContact O-CB 3.48Å; S618-A622 PolarHBondContact O-N 3.44Å
619A94.8Very high94.6Very high1 Ų148.6 Ų48.61%0.00827%0.266CS..Hα-helixtrans-66.1-41.1175.900000112F558 D616 A622 I623 F748F558-A619 HydrophobicContact CE1-CB 4.19Å; F558-A619 HydrophobicContact CZ-CB 3.87Å; D616-A619 PolarHBondContact O-N 3.34Å; A619-A622 PolarHBondContact O-N 3Å; A619-I623 WeakPolarHBondContact O-CG1 3.44Å; A619-I623 PolarHBondContact O-N 2.98Å; A619-F748 HydrophobicContact CB-CB 3.69Å; A619-F748 HydrophobicContact CB-CD1 4.44Å; A619-F748 HydrophobicContact CB-CD2 4.16Å; A619-F748 HydrophobicContact CB-CG 3.82Å
620S95.9Very high94.6Very high8 Ų845.4 Ų45.46%0.05625%0.251CS..Hα-helixtrans-60.4-48.8176.9-1710000111.6H555 N559 D616 A617 A622 I623 K624H555-S620 PolarHBondContact CD2-O 3.3Å; H555-S620 VanDerWaalsContact CD2-O 3.23Å; H555-S620 PolarHBondContact CD2-OG 3.4Å; H555-S620 PolarHBondContact NE2-O 3.4Å; H555-S620 PolarHBondContact NE2-OG 2.91Å; N559-S620 PolarHBondContact ND2-OG 3.23Å; N559-S620 PolarHBondContact OD1-OG 3.29Å; N559-S620 VanDerWaalsContact OD1-OG 3.1Å; D616-S620 VanDerWaalsContact O-CB 3.31Å; D616-S620 WeakPolarHBondContact O-CB 3.46Å; D616-S620 PolarHBondContact O-N 3Å; A617-S620 PolarHBondContact O-N 2.95Å; S620-A622 VanDerWaalsContact C-N 3.31Å; S620-A622 PolarHBondContact O-N 3.42Å; S620-I623 PolarHBondContact O-N 3.29Å; S620-K624 WeakPolarHBondContact O-CB 3.47Å; S620-K624 PolarHBondContact O-N 3.49Å
621E95.8Very high94.6Very high105 Ų10548.7 Ų48.749%0.49126%0.263SS..Hα-helixtrans-66.7-31.8178.8-72.3-59.6134.800112.1A617 K624 S625A617-E621 WeakPolarHBondContact O-CB 3.26Å; A617-E621 WeakPolarHBondContact O-CG 3.49Å; A617-E621 PolarHBondContact O-N 2.97Å; E621-K624 PolarHBondContact O-N 2.9Å; E621-K624 IonicContact OE1-NZ 3.2Å; E621-S625 WeakPolarHBondContact O-CB 3.35Å; E621-S625 PolarHBondContact O-N 3.42Å
622A95.5Very high94.7Very high20 Ų2051.2 Ų51.217%0.16528%0.279CS..Hα-helixtrans-66-44.2173.800000112.6S618 A619 S620 S625 F626 A744S618-A622 WeakPolarHBondContact O-CB 3.48Å; S618-A622 PolarHBondContact O-N 3.44Å; A619-A622 PolarHBondContact O-N 3Å; S620-A622 VanDerWaalsContact C-N 3.31Å; S620-A622 PolarHBondContact O-N 3.42Å; A622-S625 PolarHBondContact O-N 3.44Å; A622-F626 PolarHBondContact O-N 3.06Å; A622-F626 VanDerWaalsContact O-N 3.07Å; A622-A744 HydrophobicContact CB-CB 3.33Å
623I95.9Very high94.7Very high0 Ų048.6 Ų48.60%027%0.265CS..Hα-helixtrans-65.2-44.4175.3-59.5167.2000110V551 W554 H555 F558 A619 S620 S625 F626 V627 M741 I745V551-I623 HydrophobicContact CG1-CG2 3.82Å; W554-I623 HydrophobicContact CD2-CD1 4.39Å; W554-I623 HydrophobicContact CD2-CG2 4.4Å; W554-I623 HydrophobicContact CE3-CG2 4.01Å; W554-I623 HydrophobicContact CZ2-CD1 4.33Å; W554-I623 HydrophobicContact CZ3-CG2 4.48Å; H555-I623 HydrophobicContact CB-CB 4.44Å; H555-I623 HydrophobicContact CB-CG2 3.69Å; F558-I623 HydrophobicContact CD1-CD1 4.43Å; F558-I623 HydrophobicContact CG-CD1 4.33Å; A619-I623 WeakPolarHBondContact O-CG1 3.44Å; A619-I623 PolarHBondContact O-N 2.98Å; S620-I623 PolarHBondContact O-N 3.29Å; I623-S625 VanDerWaalsContact C-N 3.35Å; I623-S625 PolarHBondContact O-N 2.96Å; I623-F626 WeakPolarHBondContact O-CB 3.4Å; I623-F626 PolarHBondContact O-N 3.43Å; I623-F626 VanDerWaalsContact O-N 3.12Å; I623-V627 PolarHBondContact O-N 3.39Å; I623-M741 HydrophobicContact CG1-CG 4.31Å; I623-I745 HydrophobicContact CD1-CD1 4.25Å; I623-I745 HydrophobicContact CD1-CG1 4.3Å; I623-I745 HydrophobicContact CG1-CD1 3.98Å; I623-I745 HydrophobicContact CG1-CG1 4.23Å
624K96.3Very high94.7Very high88 Ų8841.7 Ų41.738%0.38324%0.239SC..Hα-helixtrans-62.7-39.9177.8-171.7-179.4175.7-170.50112.5S620 E621 F626 V627 N628S620-K624 WeakPolarHBondContact O-CB 3.47Å; S620-K624 PolarHBondContact O-N 3.49Å; E621-K624 PolarHBondContact O-N 2.9Å; E621-K624 IonicContact OE1-NZ 3.2Å; K624-F626 VanDerWaalsContact C-N 3.29Å; K624-F626 PolarHBondContact O-N 3.42Å; K624-V627 WeakPolarHBondContact O-CB 3.25Å; K624-V627 PolarHBondContact O-N 2.91Å; K624-N628 PolarHBondContact O-N 2.63Å; K624-N628 VanDerWaalsContact O-N 3.07Å; K624-N628 PolarHBondContact O-ND2 2.99Å
625S95.8Very high94.8Very high65 Ų6543.3 Ų43.346%0.45525%0.25SC..Hα-helixtrans-58.8-43.7172.5-1780000110.5E621 A622 I623 V627 N628 V629E621-S625 WeakPolarHBondContact O-CB 3.35Å; E621-S625 PolarHBondContact O-N 3.42Å; A622-S625 PolarHBondContact O-N 3.44Å; I623-S625 VanDerWaalsContact C-N 3.35Å; I623-S625 PolarHBondContact O-N 2.96Å; S625-V627 PolarHBondContact O-N 3.3Å; S625-N628 WeakPolarHBondContact O-CB 3.48Å; S625-N628 PolarHBondContact O-N 2.94Å; S625-N628 VanDerWaalsContact O-N 3.14Å; S625-V629 WeakPolarHBondContact O-CG2 3.47Å; S625-V629 PolarHBondContact O-N 3.47Å
626F95.8Very high94.9Very high9 Ų942.8 Ų42.84%0.03924%0.241CC..Hα-helixtrans-64.7-36.9175.4-172.4-115.9000113.2V551 A622 I623 K624 N628 V629 V630 L738 M741V551-F626 HydrophobicContact CG1-CD1 3.85Å; V551-F626 HydrophobicContact CG2-CD1 4.02Å; V551-F626 HydrophobicContact CG2-CE1 3.92Å; A622-F626 PolarHBondContact O-N 3.06Å; A622-F626 VanDerWaalsContact O-N 3.07Å; I623-F626 WeakPolarHBondContact O-CB 3.4Å; I623-F626 PolarHBondContact O-N 3.43Å; I623-F626 VanDerWaalsContact O-N 3.12Å; K624-F626 VanDerWaalsContact C-N 3.29Å; K624-F626 PolarHBondContact O-N 3.42Å; F626-N628 VanDerWaalsContact C-N 3.3Å; F626-N628 PolarHBondContact O-N 2.84Å; F626-V629 HydrophobicContact CD2-CB 4.32Å; F626-V629 HydrophobicContact CD2-CG1 4.41Å; F626-V629 WeakPolarHBondContact O-CB 3.29Å; F626-V629 PolarHBondContact O-N 2.82Å; F626-V629 VanDerWaalsContact O-N 3.17Å; F626-V630 HydrophobicContact CD1-CG2 4.28Å; F626-V630 HydrophobicContact CE1-CG2 3.81Å; F626-V630 HydrophobicContact CE2-CG2 4.11Å; F626-V630 HydrophobicContact CZ-CG2 3.69Å; F626-V630 WeakPolarHBondContact O-CG2 3.43Å; F626-V630 PolarHBondContact O-N 2.92Å; F626-L738 HydrophobicContact CD2-CD2 4.31Å; F626-L738 HydrophobicContact CE1-CD2 3.84Å; F626-L738 HydrophobicContact CE2-CD2 3.52Å; F626-L738 HydrophobicContact CE2-CG 3.75Å; F626-L738 HydrophobicContact CZ-CD2 3.26Å; F626-L738 HydrophobicContact CZ-CG 3.91Å; F626-M741 HydrophobicContact CB-CB 4.29Å; F626-M741 HydrophobicContact CB-CG 4.32Å; F626-M741 HydrophobicContact CB-SD 3.75Å; F626-M741 HydrophobicContact CD1-CE 4.11Å; F626-M741 HydrophobicContact CD1-SD 3.44Å; F626-M741 WeakPolarHBondContact CD1-SD 3.19Å; F626-M741 HydrophobicContact CE1-CE 4.38Å; F626-M741 HydrophobicContact CE1-SD 4.26Å; F626-M741 HydrophobicContact CG-SD 3.71Å
627V96.7Very high94.9Very high17 Ų1741.3 Ų41.310%0.10323%0.233CC..Hα-helixtrans-55.6-47.3170.2175.60000110.7E548 V551 S552 I623 K624 S625 V629 V630 H631E548-V627 HydrophobicContact CG-CG1 4.34Å; V551-V627 HydrophobicContact CB-CG2 4.03Å; V551-V627 HydrophobicContact CG1-CG2 3.47Å; V551-V627 VanDerWaalsContact CG1-CG2 3.47Å; S552-V627 VanDerWaalsContact OG-CG1 3.28Å; S552-V627 WeakPolarHBondContact OG-CG1 3.38Å; I623-V627 PolarHBondContact O-N 3.39Å; K624-V627 WeakPolarHBondContact O-CB 3.25Å; K624-V627 PolarHBondContact O-N 2.91Å; S625-V627 PolarHBondContact O-N 3.3Å; V627-V629 VanDerWaalsContact C-N 3.31Å; V627-V629 PolarHBondContact O-N 3.23Å; V627-V630 PolarHBondContact O-N 3.37Å; V627-H631 WeakPolarHBondContact O-CB 3.47Å; V627-H631 PolarHBondContact O-N 3.28Å
628N95.8Very high94.9Very high92 Ų9240 Ų4049%0.49222%0.222SC..Hα-helixtrans-62.4-39.3178-63.6-27.9000111.8K624 S625 F626 H631 V632K624-N628 PolarHBondContact O-N 2.63Å; K624-N628 VanDerWaalsContact O-N 3.07Å; K624-N628 PolarHBondContact O-ND2 2.99Å; S625-N628 WeakPolarHBondContact O-CB 3.48Å; S625-N628 PolarHBondContact O-N 2.94Å; S625-N628 VanDerWaalsContact O-N 3.14Å; F626-N628 VanDerWaalsContact C-N 3.3Å; F626-N628 PolarHBondContact O-N 2.84Å; N628-H631 WeakPolarHBondContact O-CB 3.28Å; N628-H631 PolarHBondContact O-N 2.97Å; N628-V632 WeakPolarHBondContact O-CG2 3.39Å; N628-V632 PolarHBondContact O-N 2.91Å
629V94.8Very high95Very high23 Ų2341 Ų4114%0.13922%0.218CC..Hα-helixtrans-60.4-45.5175.7171.40000111.2S625 F626 V627 V632 I633 N733S625-V629 WeakPolarHBondContact O-CG2 3.47Å; S625-V629 PolarHBondContact O-N 3.47Å; F626-V629 HydrophobicContact CD2-CB 4.32Å; F626-V629 HydrophobicContact CD2-CG1 4.41Å; F626-V629 WeakPolarHBondContact O-CB 3.29Å; F626-V629 PolarHBondContact O-N 2.82Å; F626-V629 VanDerWaalsContact O-N 3.17Å; V627-V629 VanDerWaalsContact C-N 3.31Å; V627-V629 PolarHBondContact O-N 3.23Å; V629-V632 PolarHBondContact O-N 3.06Å; V629-I633 WeakPolarHBondContact O-CG1 3.35Å; V629-I633 PolarHBondContact O-N 2.84Å; V629-N733 HydrophobicContact CG1-CB 3.44Å; V629-N733 VanDerWaalsContact CG1-CB 3.44Å
630V95.2Very high94.9Very high1 Ų140.9 Ų40.91%0.00622%0.218CC..Hα-helixtrans-65.9-39.4176.2179.90000111.1T544 L547 E548 F626 V627 V632 I633 Y634T544-V630 HydrophobicContact CG2-CG1 3.82Å; T544-V630 WeakPolarHBondContact O-CG1 3.39Å; L547-V630 HydrophobicContact CB-CG1 4.35Å; L547-V630 HydrophobicContact CD2-CG1 4.22Å; L547-V630 HydrophobicContact CD2-CG2 3.96Å; L547-V630 HydrophobicContact CG-CG1 4.19Å; L547-V630 HydrophobicContact CG-CG2 4.19Å; E548-V630 HydrophobicContact CB-CG1 3.82Å; F626-V630 HydrophobicContact CD1-CG2 4.28Å; F626-V630 HydrophobicContact CE1-CG2 3.81Å; F626-V630 HydrophobicContact CE2-CG2 4.11Å; F626-V630 HydrophobicContact CZ-CG2 3.69Å; F626-V630 WeakPolarHBondContact O-CG2 3.43Å; F626-V630 PolarHBondContact O-N 2.92Å; V627-V630 PolarHBondContact O-N 3.37Å; V630-V632 VanDerWaalsContact C-N 3.34Å; V630-V632 PolarHBondContact O-N 3.19Å; V630-I633 WeakPolarHBondContact O-CB 3.49Å; V630-I633 PolarHBondContact O-N 3.39Å; V630-I633 VanDerWaalsContact O-N 3.1Å; V630-Y634 PolarHBondContact O-N 2.81Å
631H95.7Very high94.7Very high83 Ų8341.3 Ų41.338%0.38422%0.219SC..Hα-helixtrans-60.1-41.7175.4-174.178.4000112.3E548 V627 N628 I633 Y634 T635E548-H631 IonicContact OE1-CE1 3.04Å; E548-H631 IonicContact OE1-CG 2.69Å; E548-H631 IonicContact OE1-ND1 3.71Å; E548-H631 PolarHBondContact OE1-ND1 2.78Å; E548-H631 IonicContact OE2-ND1 2.66Å; V627-H631 WeakPolarHBondContact O-CB 3.47Å; V627-H631 PolarHBondContact O-N 3.28Å; N628-H631 WeakPolarHBondContact O-CB 3.28Å; N628-H631 PolarHBondContact O-N 2.97Å; H631-I633 VanDerWaalsContact C-N 3.3Å; H631-I633 PolarHBondContact O-N 3.48Å; H631-Y634 PolarHBondContact O-N 2.9Å; H631-T635 WeakPolarHBondContact O-CG2 3.49Å; H631-T635 PolarHBondContact O-N 2.67Å; H631-T635 PolarHBondContact O-OG1 2.79Å
632V94.9Very high94.7Very high59 Ų5942.3 Ų42.336%0.35822%0.222SC..Hα-helixtrans-61.1-39.8174.2171.90000111.1N628 V629 V630 T635 K636N628-V632 WeakPolarHBondContact O-CG2 3.39Å; N628-V632 PolarHBondContact O-N 2.91Å; V629-V632 PolarHBondContact O-N 3.06Å; V630-V632 VanDerWaalsContact C-N 3.34Å; V630-V632 PolarHBondContact O-N 3.19Å; V632-T635 WeakPolarHBondContact CA-OG1 3.22Å; V632-T635 PolarHBondContact O-OG1 2.91Å; V632-K636 WeakPolarHBondContact O-CG 3.3Å; V632-K636 PolarHBondContact O-N 2.97Å; V632-K636 VanDerWaalsContact O-N 3.16Å
633I93.7Very high94.6Very high3 Ų343.2 Ų43.22%0.01522%0.223CC..Hα-helixtrans-62.6-47.4174.7-62.9167.7000110.4F55 T544 V629 V630 H631 T635 K636 Q637 T730 N733F55-I633 HydrophobicContact CZ-CD1 4.37Å; T544-I633 HydrophobicContact CG2-CB 4.16Å; T544-I633 HydrophobicContact CG2-CG2 3.88Å; V629-I633 WeakPolarHBondContact O-CG1 3.35Å; V629-I633 PolarHBondContact O-N 2.84Å; V630-I633 WeakPolarHBondContact O-CB 3.49Å; V630-I633 PolarHBondContact O-N 3.39Å; V630-I633 VanDerWaalsContact O-N 3.1Å; H631-I633 VanDerWaalsContact C-N 3.3Å; H631-I633 PolarHBondContact O-N 3.48Å; I633-T635 PolarHBondContact O-N 3.28Å; I633-K636 PolarHBondContact O-N 3.46Å; I633-Q637 HydrophobicContact CG2-CG 4.34Å; I633-Q637 WeakPolarHBondContact O-CG 3.37Å; I633-Q637 PolarHBondContact O-N 3.41Å; I633-T730 HydrophobicContact CD1-CG2 4.26Å; I633-T730 HydrophobicContact CG2-CG2 4.28Å; I633-N733 HydrophobicContact CD1-CB 3.95Å; I633-N733 HydrophobicContact CG1-CB 4.15Å
634Y94.3Very high94.4Very high52 Ų5245.2 Ų45.220%0.20423%0.232CC..Hα-helixtrans-59.7-43.8179.7175.1-101.4000112.6R541 R545 V630 H631 K636 Q637 A638R541-Y634 HydrophobicContact CG-CD2 4Å; R541-Y634 HydrophobicContact CG-CE2 3.63Å; R545-Y634 HydrophobicContact CB-CD2 4.21Å; R545-Y634 HydrophobicContact CB-CE2 4.06Å; V630-Y634 PolarHBondContact O-N 2.81Å; H631-Y634 PolarHBondContact O-N 2.9Å; Y634-K636 PolarHBondContact O-N 2.82Å; Y634-Q637 PolarHBondContact O-N 3.44Å; Y634-A638 WeakPolarHBondContact O-CB 3.34Å; Y634-A638 PolarHBondContact O-N 3.25Å
635T95Very high94.3Very high46 Ų4647.2 Ų47.228%0.28224%0.241SC..Hα-helixtrans-63.2-41.4177.954.80000111.9H631 V632 I633 A638 E639H631-T635 WeakPolarHBondContact O-CG2 3.49Å; H631-T635 PolarHBondContact O-N 2.67Å; H631-T635 PolarHBondContact O-OG1 2.79Å; V632-T635 WeakPolarHBondContact CA-OG1 3.22Å; V632-T635 PolarHBondContact O-OG1 2.91Å; I633-T635 PolarHBondContact O-N 3.28Å; T635-A638 WeakPolarHBondContact O-CB 3.27Å; T635-A638 PolarHBondContact O-N 2.97Å; T635-E639 WeakPolarHBondContact O-CG 3.47Å; T635-E639 PolarHBondContact O-N 3.28Å
636K93.1Very high94.3Very high50 Ų5050 Ų5022%0.21724%0.241CC..Hα-helixtrans-65.9-42.9176.3-68.5-72.1156.8-1530112.8V632 I633 Y634 A638 E639 E640 V725 T726 M729V632-K636 WeakPolarHBondContact O-CG 3.3Å; V632-K636 PolarHBondContact O-N 2.97Å; V632-K636 VanDerWaalsContact O-N 3.16Å; I633-K636 PolarHBondContact O-N 3.46Å; Y634-K636 PolarHBondContact O-N 2.82Å; K636-A638 VanDerWaalsContact C-N 3.28Å; K636-A638 PolarHBondContact O-N 3.36Å; K636-E639 IonicContact NZ-OE1 2.62Å; K636-E639 IonicContact NZ-OE2 3.86Å; K636-E639 PolarHBondContact NZ-OE2 3.41Å; K636-E639 PolarHBondContact O-N 2.66Å; K636-E640 WeakPolarHBondContact O-CB 3.33Å; K636-E640 PolarHBondContact O-N 2.86Å; K636-V725 HydrophobicContact CD-CG1 4.42Å; K636-T726 HydrophobicContact CB-CG2 4.22Å; K636-T726 PolarHBondContact O-OG1 3.04Å; K636-M729 HydrophobicContact CD-CE 4.5Å; K636-M729 HydrophobicContact CD-SD 3.59Å; K636-M729 VanDerWaalsContact CD-SD 3.59Å; K636-M729 HydrophobicContact CG-SD 3.64Å
637Q93.2Very high94.2Very high0 Ų050.1 Ų50.10%024%0.243CC..Hα-helixtrans-58.3-39.6171.7-73.7174.8-14.200112.2T536 T544 I633 Y634 M641 T726T536-Q637 HydrophobicContact CG2-CB 3.9Å; T536-Q637 HydrophobicContact CG2-CG 3.84Å; T544-Q637 VanDerWaalsContact CB-OE1 3.3Å; T544-Q637 PolarHBondContact OG1-NE2 3.1Å; T544-Q637 PolarHBondContact OG1-OE1 3.48Å; T544-Q637 VanDerWaalsContact OG1-OE1 3.11Å; I633-Q637 HydrophobicContact CG2-CG 4.34Å; I633-Q637 WeakPolarHBondContact O-CG 3.37Å; I633-Q637 PolarHBondContact O-N 3.41Å; Y634-Q637 PolarHBondContact O-N 3.44Å; Q637-M641 WeakPolarHBondContact O-CB 3.47Å; Q637-M641 VanDerWaalsContact O-CG 3.24Å; Q637-M641 WeakPolarHBondContact O-CG 3.16Å; Q637-M641 PolarHBondContact O-N 3.11Å; Q637-T726 HydrophobicContact CG-CG2 3.79Å
638A93.6Very high94.1Very high38 Ų3853.4 Ų53.431%0.31426%0.257SS..Hα-helixtrans-68.2-39.6177.300000112.6Y634 T635 K636 K642Y634-A638 WeakPolarHBondContact O-CB 3.34Å; Y634-A638 PolarHBondContact O-N 3.25Å; T635-A638 WeakPolarHBondContact O-CB 3.27Å; T635-A638 PolarHBondContact O-N 2.97Å; K636-A638 VanDerWaalsContact C-N 3.28Å; K636-A638 PolarHBondContact O-N 3.36Å; A638-K642 WeakPolarHBondContact O-CB 3.32Å; A638-K642 PolarHBondContact O-N 3.42Å
639E93.8Very high94Very high100 Ų10052.5 Ų52.547%0.46726%0.255SS..Hα-helixtrans-62.5-48.4173.1-72.3175.2172.900111.5T635 K636 M641 K642 I643T635-E639 WeakPolarHBondContact O-CG 3.47Å; T635-E639 PolarHBondContact O-N 3.28Å; K636-E639 IonicContact NZ-OE1 2.62Å; K636-E639 IonicContact NZ-OE2 3.86Å; K636-E639 PolarHBondContact NZ-OE2 3.41Å; K636-E639 PolarHBondContact O-N 2.66Å; E639-M641 VanDerWaalsContact C-N 3.35Å; E639-M641 PolarHBondContact O-N 3.48Å; E639-K642 WeakPolarHBondContact O-CB 3.49Å; E639-K642 PolarHBondContact O-N 3.2Å; E639-K642 VanDerWaalsContact O-N 3.16Å; E639-I643 WeakPolarHBondContact O-CG1 3.42Å; E639-I643 PolarHBondContact O-N 3.17Å
640E93.2Very high94Very high0 Ų055.4 Ų55.40%026%0.264CS..Hα-helixtrans-56.3-48.3176.5-171.3-160.2134.200111.2T536 K636 K642 I643 K644 A722 V723 T726T536-E640 WeakPolarHBondContact CB-OE1 3.36Å; T536-E640 WeakPolarHBondContact CB-OE2 3.47Å; T536-E640 PolarHBondContact N-OE1 2.71Å; T536-E640 VanDerWaalsContact OG1-CD 3.24Å; T536-E640 PolarHBondContact OG1-OE1 2.89Å; T536-E640 PolarHBondContact OG1-OE2 3.46Å; K636-E640 WeakPolarHBondContact O-CB 3.33Å; K636-E640 PolarHBondContact O-N 2.86Å; E640-K642 VanDerWaalsContact C-N 3.3Å; E640-K642 PolarHBondContact O-N 3.09Å; E640-I643 PolarHBondContact O-N 3Å; E640-I643 VanDerWaalsContact O-N 3.13Å; E640-K644 WeakPolarHBondContact O-CB 3.38Å; E640-K644 PolarHBondContact O-N 2.94Å; E640-A722 HydrophobicContact CB-CB 4.41Å; E640-A722 HydrophobicContact CG-CB 4.2Å; E640-V723 HydrophobicContact CG-CG2 3.98Å; E640-V723 WeakPolarHBondContact OE1-CG2 3.23Å; E640-T726 WeakPolarHBondContact OE2-CB 3.34Å; E640-T726 WeakPolarHBondContact OE2-CG2 3.4Å; E640-T726 PolarHBondContact OE2-OG1 2.78Å
641M91.8Very high94Very high17 Ų1758 Ų588%0.08428%0.282CS..Hα-helixtrans-63.8-33.3178.5-75.4-68-74.500113T536 D538 Q637 E639 K644 K645T536-M641 HydrophobicContact CG2-CG 4.25Å; D538-M641 WeakPolarHBondContact OD1-CE 3.45Å; Q637-M641 WeakPolarHBondContact O-CB 3.47Å; Q637-M641 VanDerWaalsContact O-CG 3.24Å; Q637-M641 WeakPolarHBondContact O-CG 3.16Å; Q637-M641 PolarHBondContact O-N 3.11Å; E639-M641 VanDerWaalsContact C-N 3.35Å; E639-M641 PolarHBondContact O-N 3.48Å; M641-K644 HydrophobicContact SD-CD 4Å; M641-K645 WeakPolarHBondContact O-CG 3.23Å; M641-K645 PolarHBondContact O-N 2.97Å
642K94.3Very high94Very high125 Ų12559.8 Ų59.854%0.54329%0.289SS..Hα-helixtrans-66.9-40.1174.3-173.4178.8-177.1179.10111.1A638 E639 E640 R646A638-K642 WeakPolarHBondContact O-CB 3.32Å; A638-K642 PolarHBondContact O-N 3.42Å; E639-K642 WeakPolarHBondContact O-CB 3.49Å; E639-K642 PolarHBondContact O-N 3.2Å; E639-K642 VanDerWaalsContact O-N 3.16Å; E640-K642 VanDerWaalsContact C-N 3.3Å; E640-K642 PolarHBondContact O-N 3.09Å; K642-R646 WeakPolarHBondContact O-CG 3.49Å; K642-R646 PolarHBondContact O-N 3.38Å
643I93.3Very high94Very high39 Ų3961 Ų6120%0.229%0.29CS..Hα-helixtrans-67.6-46.2175.8-62.4165.9000109.7E639 E640 K645 R646 T647 R718 H719 A722E639-I643 WeakPolarHBondContact O-CG1 3.42Å; E639-I643 PolarHBondContact O-N 3.17Å; E640-I643 PolarHBondContact O-N 3Å; E640-I643 VanDerWaalsContact O-N 3.13Å; I643-K645 VanDerWaalsContact C-N 3.34Å; I643-K645 PolarHBondContact O-N 2.96Å; I643-R646 WeakPolarHBondContact O-CA 3.3Å; I643-R646 WeakPolarHBondContact O-CB 3.44Å; I643-R646 PolarHBondContact O-N 3.17Å; I643-T647 PolarHBondContact O-N 3.43Å; I643-T647 PolarHBondContact O-OG1 3.13Å; I643-T647 VanDerWaalsContact O-OG1 3.06Å; I643-R718 HydrophobicContact CG2-CB 4.25Å; I643-H719 HydrophobicContact CG2-CB 3.94Å; I643-A722 HydrophobicContact CD1-CB 3.61Å
644K93.2Very high94Very high43 Ų4362.1 Ų62.119%0.18730%0.296CS..Hα-helixtrans-51.4-48.9175.4-174.7173.1174.6170.60112.8S535 T536 E640 M641 R646 T647 E648S535-K644 PolarHBondContact OG-NZ 2.87Å; T536-K644 PolarHBondContact O-NZ 3.31Å; E640-K644 WeakPolarHBondContact O-CB 3.38Å; E640-K644 PolarHBondContact O-N 2.94Å; M641-K644 HydrophobicContact SD-CD 4Å; K644-R646 VanDerWaalsContact C-N 3.31Å; K644-R646 PolarHBondContact O-N 2.62Å; K644-T647 WeakPolarHBondContact O-CB 3.4Å; K644-T647 PolarHBondContact O-N 2.74Å; K644-E648 WeakPolarHBondContact O-CG 3.43Å; K644-E648 PolarHBondContact O-N 3.3Å
645K94.4Very high94Very high129 Ų12965 Ų6556%0.56131%0.312SS*.Hα-helixtrans-60.9-36.7176.8-73.8177.5-178.1-178.10113M641 I643 T649M641-K645 WeakPolarHBondContact O-CG 3.23Å; M641-K645 PolarHBondContact O-N 2.97Å; I643-K645 VanDerWaalsContact C-N 3.34Å; I643-K645 PolarHBondContact O-N 2.96Å; K645-T649 PolarHBondContact O-N 3.46Å; K645-T649 VanDerWaalsContact O-N 3.08Å; K645-T649 PolarHBondContact O-OG1 3.1Å
646R94.2Very high94.1Very high123 Ų12370 Ų7046%0.46433%0.33SS..Hα-helixtrans-67-47.8174.8-69.9170.1175.8178.8-5.5110.6K642 I643 K644 E648 T649 Y650K642-R646 WeakPolarHBondContact O-CG 3.49Å; K642-R646 PolarHBondContact O-N 3.38Å; I643-R646 WeakPolarHBondContact O-CA 3.3Å; I643-R646 WeakPolarHBondContact O-CB 3.44Å; I643-R646 PolarHBondContact O-N 3.17Å; K644-R646 VanDerWaalsContact C-N 3.31Å; K644-R646 PolarHBondContact O-N 2.62Å; R646-E648 VanDerWaalsContact C-N 3.33Å; R646-E648 PolarHBondContact O-N 3.38Å; R646-T649 WeakPolarHBondContact O-CB 3.47Å; R646-T649 PolarHBondContact O-N 2.94Å; R646-Y650 WeakPolarHBondContact O-CD2 3.06Å; R646-Y650 PolarHBondContact O-N 3.29Å
647T93.6Very high94.1Very high13 Ų1371.7 Ų71.78%0.0834%0.337CS..Hα-helixtrans-56.1-45.5175.9-49.20000111.7I643 K644 T649 Y650 S651 E715 M716I643-T647 PolarHBondContact O-N 3.43Å; I643-T647 PolarHBondContact O-OG1 3.13Å; I643-T647 VanDerWaalsContact O-OG1 3.06Å; K644-T647 WeakPolarHBondContact O-CB 3.4Å; K644-T647 PolarHBondContact O-N 2.74Å; T647-T649 VanDerWaalsContact C-N 3.32Å; T647-T649 PolarHBondContact O-N 3Å; T647-Y650 PolarHBondContact O-N 3.27Å; T647-S651 VanDerWaalsContact O-CB 3.3Å; T647-S651 WeakPolarHBondContact O-CB 3.44Å; T647-S651 PolarHBondContact O-N 2.97Å; T647-E715 HydrophobicContact CG2-CB 4.34Å; T647-E715 PolarHBondContact OG1-O 3.41Å; T647-M716 HydrophobicContact CG2-CB 4.31Å; T647-M716 HydrophobicContact CG2-CG 3.48Å; T647-M716 VanDerWaalsContact CG2-CG 3.48Å
648E94.6Very high94.1Very high85 Ų8572.5 Ų72.540%0.39734%0.342SS..Hα-helixtrans-62.1-37.3175.7-73172.4-168.300112.6K644 R646 S651 K652K644-E648 WeakPolarHBondContact O-CG 3.43Å; K644-E648 PolarHBondContact O-N 3.3Å; R646-E648 VanDerWaalsContact C-N 3.33Å; R646-E648 PolarHBondContact O-N 3.38Å; E648-S651 PolarHBondContact O-N 3.31Å; E648-K652 WeakPolarHBondContact O-CB 3.44Å; E648-K652 VanDerWaalsContact O-CG 3.26Å; E648-K652 WeakPolarHBondContact O-CG 3.27Å; E648-K652 PolarHBondContact O-N 2.91Å
649T95.3Very high94.2Very high74 Ų7473.8 Ų73.845%0.45434%0.343SS..Hα-helixtrans-66.3-49.1177.7-57.20000111K645 R646 T647 S651 K652 E653K645-T649 PolarHBondContact O-N 3.46Å; K645-T649 VanDerWaalsContact O-N 3.08Å; K645-T649 PolarHBondContact O-OG1 3.1Å; R646-T649 WeakPolarHBondContact O-CB 3.47Å; R646-T649 PolarHBondContact O-N 2.94Å; T647-T649 VanDerWaalsContact C-N 3.32Å; T647-T649 PolarHBondContact O-N 3Å; T649-S651 VanDerWaalsContact C-N 3.32Å; T649-S651 PolarHBondContact O-N 3.08Å; T649-K652 PolarHBondContact O-N 3.39Å; T649-E653 PolarHBondContact O-N 3.44Å
650Y94.2Very high94.1Very high84 Ų8472.1 Ų72.133%0.32934%0.343SS..Hα-helixtrans-63.6-37.4176.1-72.6-68.1000112.3R646 T647 E653 L654 V712 E715R646-Y650 WeakPolarHBondContact O-CD2 3.06Å; R646-Y650 PolarHBondContact O-N 3.29Å; T647-Y650 PolarHBondContact O-N 3.27Å; Y650-E653 PolarHBondContact O-N 2.82Å; Y650-L654 WeakPolarHBondContact O-CB 3.31Å; Y650-L654 PolarHBondContact O-N 3.45Å; Y650-V712 VanDerWaalsContact C-CG2 3.45Å; Y650-V712 VanDerWaalsContact O-CG2 3.28Å; Y650-V712 WeakPolarHBondContact O-CG2 3.29Å; Y650-E715 HydrophobicContact CD2-CB 4.39Å; Y650-E715 HydrophobicContact CD2-CG 3.62Å; Y650-E715 HydrophobicContact CE2-CG 3.82Å; Y650-E715 HydrophobicContact CG-CG 4.46Å
651S94.6Very high94Very high54 Ų5473 Ų7338%0.37835%0.348SS..Hα-helixtrans-62.4-45.3175.5-176.10000111.6T647 E648 T649 E653 L654 E655T647-S651 VanDerWaalsContact O-CB 3.3Å; T647-S651 WeakPolarHBondContact O-CB 3.44Å; T647-S651 PolarHBondContact O-N 2.97Å; E648-S651 PolarHBondContact O-N 3.31Å; T649-S651 VanDerWaalsContact C-N 3.32Å; T649-S651 PolarHBondContact O-N 3.08Å; S651-E653 VanDerWaalsContact C-N 3.34Å; S651-E653 PolarHBondContact O-N 3.43Å; S651-L654 WeakPolarHBondContact O-CB 3.24Å; S651-L654 PolarHBondContact O-N 3.07Å; S651-E655 PolarHBondContact O-N 3.4Å
652K96.1Very high94Very high122 Ų12278.9 Ų78.953%0.5337%0.369SS..Hα-helixtrans-61.9-39.1173.7-73.7170-176.5172.10112.4E648 T649 E655 K656E648-K652 WeakPolarHBondContact O-CB 3.44Å; E648-K652 VanDerWaalsContact O-CG 3.26Å; E648-K652 WeakPolarHBondContact O-CG 3.27Å; E648-K652 PolarHBondContact O-N 2.91Å; T649-K652 PolarHBondContact O-N 3.39Å; K652-E655 PolarHBondContact O-N 3.46Å; K652-K656 WeakPolarHBondContact O-CB 3.24Å; K652-K656 VanDerWaalsContact O-CG 3.26Å; K652-K656 WeakPolarHBondContact O-CG 3.11Å; K652-K656 PolarHBondContact O-N 2.67Å
653E94.2Very high93.9Very high83 Ų8375.3 Ų75.339%0.38836%0.362SS..Hα-helixtrans-64.2-42.3174.6-74.9-175.1-170.800112.4T649 Y650 S651 E655 K656 K657T649-E653 PolarHBondContact O-N 3.44Å; Y650-E653 PolarHBondContact O-N 2.82Å; S651-E653 VanDerWaalsContact C-N 3.34Å; S651-E653 PolarHBondContact O-N 3.43Å; E653-E655 VanDerWaalsContact C-N 3.35Å; E653-K656 PolarHBondContact O-N 3.28Å; E653-K657 WeakPolarHBondContact O-CG 3.49Å; E653-K657 PolarHBondContact O-N 3.35Å
654L94.2Very high93.7Very high27 Ų2776.4 Ų76.414%0.14137%0.368CS..Hα-helixtrans-62.2-43.4175.2171.162.9000111.3Y650 S651 K657 T658 I705 C708 R709 V712Y650-L654 WeakPolarHBondContact O-CB 3.31Å; Y650-L654 PolarHBondContact O-N 3.45Å; S651-L654 WeakPolarHBondContact O-CB 3.24Å; S651-L654 PolarHBondContact O-N 3.07Å; L654-K657 PolarHBondContact O-N 3.06Å; L654-T658 VanDerWaalsContact O-CB 3.28Å; L654-T658 WeakPolarHBondContact O-CB 3.3Å; L654-T658 PolarHBondContact O-N 3.35Å; L654-T658 PolarHBondContact O-OG1 3.38Å; L654-I705 HydrophobicContact CD1-CG2 4.12Å; L654-C708 HydrophobicContact CD1-CB 4.14Å; L654-R709 HydrophobicContact CD1-CB 4.37Å; L654-R709 HydrophobicContact CD1-CG 3.36Å; L654-R709 HydrophobicContact CD2-CG 3.82Å; L654-R709 HydrophobicContact CG-CG 4.22Å; L654-V712 HydrophobicContact CB-CG2 3.85Å; L654-V712 HydrophobicContact CD2-CB 4.15Å; L654-V712 HydrophobicContact CD2-CG1 4.33Å; L654-V712 HydrophobicContact CD2-CG2 3.9Å
655E95.2Very high93.5Very high114 Ų11476.7 Ų76.753%0.53337%0.37SS..Hα-helixtrans-61.1-47.8176.8-166.8-169.1166.800110.9S651 K652 E653 K657 T658 N659S651-E655 PolarHBondContact O-N 3.4Å; K652-E655 PolarHBondContact O-N 3.46Å; E653-E655 VanDerWaalsContact C-N 3.35Å; E655-K657 PolarHBondContact O-N 3.05Å; E655-T658 PolarHBondContact O-N 3.18Å; E655-N659 WeakPolarHBondContact O-CB 3.33Å; E655-N659 PolarHBondContact O-N 3.28Å; E655-N659 PolarHBondContact O-ND2 2.91Å
656K95.6Very high93.2Very high151 Ų15176.8 Ų76.866%0.65737%0.37SS*.Hα-helixtrans-57.1-48.8175.8-73.9172.6-176.8-1790112K652 E653 N659 S660K652-K656 WeakPolarHBondContact O-CB 3.24Å; K652-K656 VanDerWaalsContact O-CG 3.26Å; K652-K656 WeakPolarHBondContact O-CG 3.11Å; K652-K656 PolarHBondContact O-N 2.67Å; E653-K656 PolarHBondContact O-N 3.28Å; K656-N659 PolarHBondContact O-N 3.31Å; K656-S660 WeakPolarHBondContact O-CB 3.36Å; K656-S660 PolarHBondContact O-N 3.16Å
657K93.5Very high92.9Very high85 Ų8577.8 Ų77.837%0.3738%0.378SS..Hα-helixtrans-64.5-41.7178.7-73176.4-179157.40111.7E653 L654 E655 S660 L661 I705 C708E653-K657 WeakPolarHBondContact O-CG 3.49Å; E653-K657 PolarHBondContact O-N 3.35Å; L654-K657 PolarHBondContact O-N 3.06Å; E655-K657 PolarHBondContact O-N 3.05Å; K657-S660 WeakPolarHBondContact O-CB 3.41Å; K657-S660 PolarHBondContact O-N 3.49Å; K657-L661 PolarHBondContact O-N 3.49Å; K657-I705 HydrophobicContact CB-CD1 4.4Å; K657-I705 HydrophobicContact CB-CG1 3.87Å; K657-I705 WeakPolarHBondContact O-CD1 3.35Å; K657-C708 HydrophobicContact CD-CB 4.32Å
658T93.8Very high92.5Very high16 Ų1680.3 Ų80.310%0.09839%0.387CS..Hα-helixtrans-65.3-43.1178-54.90000111.4L654 E655 S660 L661 R662L654-T658 VanDerWaalsContact O-CB 3.28Å; L654-T658 WeakPolarHBondContact O-CB 3.3Å; L654-T658 PolarHBondContact O-N 3.35Å; L654-T658 PolarHBondContact O-OG1 3.38Å; E655-T658 PolarHBondContact O-N 3.18Å; T658-S660 VanDerWaalsContact C-N 3.34Å; T658-L661 PolarHBondContact O-N 3.01Å; T658-R662 VanDerWaalsContact CG2-NH2 3.34Å; T658-R662 WeakPolarHBondContact O-CG 3.47Å; T658-R662 PolarHBondContact O-N 3.06Å
659N94.4Very high91.8Very high65 Ų6582.8 Ų82.835%0.34839%0.393SS..Hα-helixtrans-63.5-40.6175.1-69-13.7000111.3E655 K656 R662 A663E655-N659 WeakPolarHBondContact O-CB 3.33Å; E655-N659 PolarHBondContact O-N 3.28Å; E655-N659 PolarHBondContact O-ND2 2.91Å; K656-N659 PolarHBondContact O-N 3.31Å; N659-R662 PolarHBondContact O-N 3.47Å; N659-R662 PolarHBondContact OD1-NH1 3.48Å; N659-R662 PolarHBondContact OD1-NH2 2.88Å; N659-A663 WeakPolarHBondContact O-CB 3.45Å; N659-A663 PolarHBondContact O-N 3.33Å
660S92.7Very high91.2Very high66 Ų6684.4 Ų84.446%0.46240%0.396SS..Hα-helixtrans-62.3-43.5174.6-1730000112.1K656 K657 T658 A663 I664K656-S660 WeakPolarHBondContact O-CB 3.36Å; K656-S660 PolarHBondContact O-N 3.16Å; K657-S660 WeakPolarHBondContact O-CB 3.41Å; K657-S660 PolarHBondContact O-N 3.49Å; T658-S660 VanDerWaalsContact C-N 3.34Å; S660-A663 PolarHBondContact O-N 2.9Å; S660-I664 VanDerWaalsContact O-CG1 3.3Å; S660-I664 WeakPolarHBondContact O-CG1 3.38Å; S660-I664 PolarHBondContact O-N 2.85Å
661L91.5Very high90.4Very high19 Ų1984.1 Ų84.110%0.09941%0.406CS..Hα-helixtrans-62.4-47175.8177.567.5000110.9K657 T658 A663 I664 E665 L698 K701 K702 I705K657-L661 PolarHBondContact O-N 3.49Å; T658-L661 PolarHBondContact O-N 3.01Å; L661-A663 PolarHBondContact O-N 3Å; L661-I664 PolarHBondContact O-N 2.9Å; L661-I664 VanDerWaalsContact O-N 3.08Å; L661-E665 HydrophobicContact CD1-CG 4.17Å; L661-E665 HydrophobicContact CG-CG 4.21Å; L661-E665 WeakPolarHBondContact O-CB 3.47Å; L661-E665 WeakPolarHBondContact O-CG 3.37Å; L661-E665 PolarHBondContact O-N 3.32Å; L661-L698 HydrophobicContact CD1-CB 4.14Å; L661-L698 HydrophobicContact CD1-CD1 4.3Å; L661-K701 HydrophobicContact CD1-CB 4.01Å; L661-K702 HydrophobicContact CD1-CG 4.42Å; L661-K702 HydrophobicContact CD2-CG 3.8Å; L661-I705 HydrophobicContact CB-CD1 3.4Å; L661-I705 HydrophobicContact CD2-CD1 3.5Å; L661-I705 HydrophobicContact CG-CD1 4Å
662R91.2Very high89.1Confident140 Ų14088.5 Ų88.553%0.52842%0.415SS..Hα-helixtrans-58.5-37176.5-70.2-168.9-131.2113.63112.2T658 N659 K666T658-R662 VanDerWaalsContact CG2-NH2 3.34Å; T658-R662 WeakPolarHBondContact O-CG 3.47Å; T658-R662 PolarHBondContact O-N 3.06Å; N659-R662 PolarHBondContact O-N 3.47Å; N659-R662 PolarHBondContact OD1-NH1 3.48Å; N659-R662 PolarHBondContact OD1-NH2 2.88Å; R662-K666 VanDerWaalsContact O-CB 3.29Å; R662-K666 WeakPolarHBondContact O-CB 3.32Å; R662-K666 PolarHBondContact O-N 2.78Å
663A92.2Very high87.3Confident49 Ų4986.7 Ų86.741%0.40542%0.418SS..Hα-helixtrans-67.5-39.9175.900000112.4N659 S660 L661 K667N659-A663 WeakPolarHBondContact O-CB 3.45Å; N659-A663 PolarHBondContact O-N 3.33Å; S660-A663 PolarHBondContact O-N 2.9Å; L661-A663 PolarHBondContact O-N 3Å; A663-K667 WeakPolarHBondContact O-CG 3.5Å; A663-K667 PolarHBondContact O-N 2.72Å; A663-K667 VanDerWaalsContact O-N 3.1Å
664I89Confident85.3Confident62 Ų6290.4 Ų90.432%0.31844%0.437SS..Hα-helixtrans-69.4-45.2176-63.5164.1000110.5S660 L661 K666 K667 Y668 L698S660-I664 VanDerWaalsContact O-CG1 3.3Å; S660-I664 WeakPolarHBondContact O-CG1 3.38Å; S660-I664 PolarHBondContact O-N 2.85Å; L661-I664 PolarHBondContact O-N 2.9Å; L661-I664 VanDerWaalsContact O-N 3.08Å; I664-K666 VanDerWaalsContact C-N 3.33Å; I664-K666 PolarHBondContact O-N 2.71Å; I664-K667 PolarHBondContact O-N 2.99Å; I664-K667 VanDerWaalsContact O-N 3.15Å; I664-Y668 WeakPolarHBondContact O-CB 3.28Å; I664-Y668 PolarHBondContact O-N 3.04Å; I664-L698 HydrophobicContact CB-CD2 4.49Å; I664-L698 HydrophobicContact CG2-CD1 4.5Å; I664-L698 HydrophobicContact CG2-CD2 3.46Å; I664-L698 VanDerWaalsContact CG2-CD2 3.46Å
665E88.5Confident83.4Confident49 Ų4995.1 Ų95.123%0.22947%0.467CS..Hα-helixtrans-56-47.9175-76.1177.2157.100110.6L661 K667 Y668 Y669 L698 K702L661-E665 HydrophobicContact CD1-CG 4.17Å; L661-E665 HydrophobicContact CG-CG 4.21Å; L661-E665 WeakPolarHBondContact O-CB 3.47Å; L661-E665 WeakPolarHBondContact O-CG 3.37Å; L661-E665 PolarHBondContact O-N 3.32Å; E665-K667 PolarHBondContact O-N 3.05Å; E665-Y668 PolarHBondContact O-N 2.85Å; E665-Y669 HydrophobicContact CB-CD2 4.32Å; E665-Y669 HydrophobicContact CB-CE2 4.37Å; E665-Y669 WeakPolarHBondContact O-CD2 3.36Å; E665-Y669 PolarHBondContact O-N 3.4Å; E665-L698 HydrophobicContact CB-CD1 4.29Å; E665-L698 HydrophobicContact CG-CD1 3.36Å; E665-K702 VanDerWaalsContact OE1-CE 3.29Å; E665-K702 WeakPolarHBondContact OE1-CE 3.22Å; E665-K702 IonicContact OE1-NZ 3.96Å
666K89.1Confident81.3Confident131 Ų13192.9 Ų92.957%0.5747%0.474SS*.Hα-helixtrans-56.6-47.9175.4-176.9175.8178.5179.20111.6R662 I664 Q670R662-K666 VanDerWaalsContact O-CB 3.29Å; R662-K666 WeakPolarHBondContact O-CB 3.32Å; R662-K666 PolarHBondContact O-N 2.78Å; I664-K666 VanDerWaalsContact C-N 3.33Å; I664-K666 PolarHBondContact O-N 2.71Å; K666-Q670 HydrophobicContact CG-CG 4.35Å; K666-Q670 WeakPolarHBondContact O-CB 3.46Å; K666-Q670 WeakPolarHBondContact O-CG 3.43Å; K666-Q670 PolarHBondContact O-N 3.35Å
667K88.4Confident78.9Confident145 Ų14593.6 Ų93.663%0.6348%0.484SS*.Hα-helixtrans-63.7-41.9177.8-73.1177.4-179.5-175.30112.3A663 I664 E665 S671A663-K667 WeakPolarHBondContact O-CG 3.5Å; A663-K667 PolarHBondContact O-N 2.72Å; A663-K667 VanDerWaalsContact O-N 3.1Å; I664-K667 PolarHBondContact O-N 2.99Å; I664-K667 VanDerWaalsContact O-N 3.15Å; E665-K667 PolarHBondContact O-N 3.05Å; K667-S671 WeakPolarHBondContact O-CB 3.4Å; K667-S671 PolarHBondContact O-N 2.9Å; K667-S671 PolarHBondContact O-OG 3.12Å
668Y83.5Confident76.3Confident66 Ų6693.1 Ų93.126%0.25950%0.503SS..Hα-helixtrans-64.7-52-179.4-177.3-95.6000111.4I664 E665 S671 Y672 P697I664-Y668 WeakPolarHBondContact O-CB 3.28Å; I664-Y668 PolarHBondContact O-N 3.04Å; E665-Y668 PolarHBondContact O-N 2.85Å; Y668-S671 WeakPolarHBondContact O-CB 3.46Å; Y668-S671 PolarHBondContact O-N 3.22Å; Y668-Y672 HydrophobicContact CD1-CD2 4.25Å; Y668-Y672 HydrophobicContact CD2-CD2 4.36Å; Y668-Y672 HydrophobicContact CD2-CE2 4.18Å; Y668-Y672 AromaticContact CE1-CD2 3.86Å; Y668-Y672 HydrophobicContact CE1-CD2 3.86Å; Y668-Y672 AromaticContact CE1-CE2 3.96Å; Y668-Y672 HydrophobicContact CE1-CE2 3.96Å; Y668-Y672 AromaticContact CE2-CD2 4Å; Y668-Y672 HydrophobicContact CE2-CD2 4Å; Y668-Y672 AromaticContact CE2-CE2 3.46Å; Y668-Y672 HydrophobicContact CE2-CE2 3.46Å; Y668-Y672 VanDerWaalsContact CE2-CE2 3.46Å; Y668-Y672 HydrophobicContact CG-CD2 4.48Å; Y668-Y672 AromaticContact CZ-CD2 3.72Å; Y668-Y672 AromaticContact CZ-CE2 3.32Å; Y668-Y672 PolarHBondContact O-N 3.43Å; Y668-Y672 WeakPolarHBondContact OH-CE2 3.42Å; Y668-P697 HydrophobicContact CE2-CB 4.34Å; Y668-P697 HydrophobicContact CE2-CG 3.91Å
669Y81.5Confident73.6Confident136 Ų136100.6 Ų100.653%0.53354%0.542SS..Hα-helixtrans-71.2-31.9179.6-70.4-65.3000113.2E665 S671 Y672 S673E665-Y669 HydrophobicContact CB-CD2 4.32Å; E665-Y669 HydrophobicContact CB-CE2 4.37Å; E665-Y669 WeakPolarHBondContact O-CD2 3.36Å; E665-Y669 PolarHBondContact O-N 3.4Å; Y669-S671 VanDerWaalsContact C-N 3.29Å; Y669-S671 PolarHBondContact O-N 2.89Å; Y669-Y672 PolarHBondContact O-N 3.27Å; Y669-S673 WeakPolarHBondContact O-CB 3.33Å; Y669-S673 PolarHBondContact O-N 3.5Å
670Q81.8Confident71.2Confident109 Ų109103 Ų10351%0.50956%0.561SS.*Hα-helixtrans-62.9-37.6170-77.1175.7-14.100111.9K666 M674K666-Q670 HydrophobicContact CG-CG 4.35Å; K666-Q670 WeakPolarHBondContact O-CB 3.46Å; K666-Q670 WeakPolarHBondContact O-CG 3.43Å; K666-Q670 PolarHBondContact O-N 3.35Å; Q670-M674 PolarHBondContact O-N 3.47Å
671S77.7Confident69Low77 Ų77103.3 Ų103.354%0.53857%0.574SS.*Hα-helixtrans-69.8-40.9177.9-56.10000111.9K667 Y668 Y669 M674K667-S671 WeakPolarHBondContact O-CB 3.4Å; K667-S671 PolarHBondContact O-N 2.9Å; K667-S671 PolarHBondContact O-OG 3.12Å; Y668-S671 WeakPolarHBondContact O-CB 3.46Å; Y668-S671 PolarHBondContact O-N 3.22Å; Y669-S671 VanDerWaalsContact C-N 3.29Å; Y669-S671 PolarHBondContact O-N 2.89Å; S671-M674 PolarHBondContact O-N 3.43Å
672Y66Low66.8Low147 Ų147108.7 Ų108.758%0.57661%0.614SS**Hα-helixtrans-73.4-32.5176.5-88.8-89000113.5Y668 Y669 M674 V675Y668-Y672 HydrophobicContact CD1-CD2 4.25Å; Y668-Y672 HydrophobicContact CD2-CD2 4.36Å; Y668-Y672 HydrophobicContact CD2-CE2 4.18Å; Y668-Y672 AromaticContact CE1-CD2 3.86Å; Y668-Y672 HydrophobicContact CE1-CD2 3.86Å; Y668-Y672 AromaticContact CE1-CE2 3.96Å; Y668-Y672 HydrophobicContact CE1-CE2 3.96Å; Y668-Y672 AromaticContact CE2-CD2 4Å; Y668-Y672 HydrophobicContact CE2-CD2 4Å; Y668-Y672 AromaticContact CE2-CE2 3.46Å; Y668-Y672 HydrophobicContact CE2-CE2 3.46Å; Y668-Y672 VanDerWaalsContact CE2-CE2 3.46Å; Y668-Y672 HydrophobicContact CG-CD2 4.48Å; Y668-Y672 AromaticContact CZ-CD2 3.72Å; Y668-Y672 AromaticContact CZ-CE2 3.32Å; Y668-Y672 PolarHBondContact O-N 3.43Å; Y668-Y672 WeakPolarHBondContact OH-CE2 3.42Å; Y669-Y672 PolarHBondContact O-N 3.27Å; Y672-M674 PolarHBondContact O-N 3Å; Y672-V675 PolarHBondContact O-N 3.44Å; Y672-V675 VanDerWaalsContact O-N 3.14Å
673S59.2Low64.6Low84 Ų84105.2 Ų105.259%0.58762%0.621SS**Hα-helixtrans-62.8-21173.8177.80000113.2Y669Y669-S673 WeakPolarHBondContact O-CB 3.33Å; Y669-S673 PolarHBondContact O-N 3.5Å
674M53Low62.1Low161 Ų161113.6 Ų113.679%0.79364%0.643SS**THydrogen-bonded Turntrans-83-17.9176.4-88.6-82.9-67.200113.6Q670 S671 Y672Q670-M674 PolarHBondContact O-N 3.47Å; S671-M674 PolarHBondContact O-N 3.43Å; Y672-M674 PolarHBondContact O-N 3Å
675V53.2Low60Low126 Ų126117.9 Ų117.976%0.76467%0.666SS**THydrogen-bonded Turntrans-91.1-8.3-177.2-177.40000112.1Y672Y672-V675 PolarHBondContact O-N 3.44Å; Y672-V675 VanDerWaalsContact O-N 3.14Å
676G51.6Low57.9Low66 Ų66119.2 Ų119.268%0.6869%0.693SS**SBendtrans-93.77.4-173.900000117.6
677L44.3Very low55.9Low166 Ų166121.1 Ų121.187%0.86971%0.707SS**  trans-116.480.7-179.3-84.9132.7000111
678G38.9Very low53.6Low75 Ų75122.8 Ų122.877%0.77372%0.718SS**  trans-163.274175.200000111.4
679L38.9Very low51.6Low173 Ų173125.1 Ų125.191%0.90674%0.744SS**  trans-69.7168.8176.2-139.780.3000111.1
680P42.5Very low49.9Very low116 Ų116126.2 Ų126.275%0.75375%0.753SS**  -126.6151.7-96.340.1-23.1000112.5
681G46.2Very low47.8Very low72 Ų72126.5 Ų126.574%0.74277%0.767SS**  trans-171.4127.6173.400000113.2
682S45.8Very low46.2Very low133 Ų133131.6 Ų131.693%0.9378%0.78SS**  trans75.5118.5178.9-143.40000113.2
683G44.7Very low45.3Very low66 Ų66130.7 Ų130.768%0.6879%0.785SS**  cis129.699.927.100000107
684R41.1Very low45Very low226 Ų226131.8 Ų131.885%0.85380%0.8SS**  trans78108.5146.5-153172.3177.3176.8-5.1119
685D44.8Very low45.5Very low152 Ų152133.9 Ų133.981%0.81380%0.798SS**  trans46.5113.1133.6-48.6-27.5000119.9
686G44.7Very low46.4Very low77 Ų77130.8 Ų130.879%0.79478%0.778SS**  trans169.285.3166.200000111.3E688G686-E688 PolarHBondContact O-N 3.49Å
687I45.2Very low47.4Very low170 Ų170131.6 Ų131.687%0.87277%0.771SS**  trans-62112-178.5-63.2162.4000110.3
688E41.5Very low49.3Very low181 Ų181124.2 Ų124.285%0.84673%0.732SS**  trans-157.3109.9140.1-113.2172.1-161.600109.2G686 H690G686-E688 PolarHBondContact O-N 3.49Å; E688-H690 PolarHBondContact O-N 2.86Å; E688-H690 VanDerWaalsContact O-N 3.17Å
689S40.5Very low51.5Low115 Ų115122.7 Ų122.780%0.80471%0.712SS**  trans-66.5106.3-174.4173.10000110.6S691S689-S691 PolarHBondContact O-N 3.36Å
690H45.6Very low53.8Low159 Ų159121 Ų12174%0.73670%0.7SS**  trans-56.8108.7159.7-83.1-69.8000109.2E688 F692E688-H690 PolarHBondContact O-N 2.86Å; E688-H690 VanDerWaalsContact O-N 3.17Å; H690-F692 VanDerWaalsContact C-N 3.29Å; H690-F692 HydrophobicContact CB-CD2 4.17Å; H690-F692 HydrophobicContact CB-CE2 3.87Å; H690-F692 WeakPolarHBondContact O-CD2 3.43Å; H690-F692 PolarHBondContact O-N 3.26Å
691S38.9Very low56.1Low115 Ų115119.6 Ų119.680%0.80468%0.682SS**  trans-64.486.1172.260.60000109.7S689 D693S689-S691 PolarHBondContact O-N 3.36Å; S691-D693 PolarHBondContact O-N 3.15Å
692F43.9Very low58.2Low183 Ų183119.7 Ų119.780%0.80366%0.662SS**  trans-71123.6166-77.6-83000108.8H690 A694H690-F692 VanDerWaalsContact C-N 3.29Å; H690-F692 HydrophobicContact CB-CD2 4.17Å; H690-F692 HydrophobicContact CB-CE2 3.87Å; H690-F692 WeakPolarHBondContact O-CD2 3.43Å; H690-F692 PolarHBondContact O-N 3.26Å; F692-A694 PolarHBondContact O-N 3.46Å
693D46.4Very low60.4Low129 Ų129117 Ų11769%0.6964%0.64SS**  trans-43.9112.7-179.4-1700.3000112.3S691 R695S691-D693 PolarHBondContact O-N 3.15Å; D693-R695 PolarHBondContact O-N 3.43Å; D693-R695 VanDerWaalsContact O-N 3.16Å; D693-R695 WeakPolarHBondContact OD1-CB 3.5Å; D693-R695 PolarHBondContact OD1-N 2.79Å
694A53.8Low62.6Low107 Ų107116.9 Ų116.988%0.88462%0.622SS**  trans-77.414.3-179.900000113.5F692F692-A694 PolarHBondContact O-N 3.46Å
695R63.2Low65.1Low204 Ų204106.5 Ų106.577%0.7758%0.583SS**  trans-80.5118.7173.1-84.2-179.5161.8159.7-3.5111.1D693 P697D693-R695 PolarHBondContact O-N 3.43Å; D693-R695 VanDerWaalsContact O-N 3.16Å; D693-R695 WeakPolarHBondContact OD1-CB 3.5Å; D693-R695 PolarHBondContact OD1-N 2.79Å; R695-P697 VanDerWaalsContact O-CD 3.22Å; R695-P697 WeakPolarHBondContact O-CD 3.47Å; R695-P697 VanDerWaalsContact O-N 3.17Å
696D72.6Confident67.5Low61 Ų61101.5 Ų101.533%0.32656%0.563SS.*  trans-55.4114.5165173.95.4000109L698 A699 K702D696-L698 PolarHBondContact O-N 3.32Å; D696-L698 WeakPolarHBondContact OD1-CB 3.44Å; D696-L698 PolarHBondContact OD1-N 3.25Å; D696-A699 HydrophobicContact CB-CB 4.18Å; D696-A699 WeakPolarHBondContact O-CB 3.27Å; D696-A699 PolarHBondContact O-N 3.49Å; D696-K702 IonicContact OD1-NZ 3.21Å; D696-K702 IonicContact OD2-NZ 3.77Å; D696-K702 PolarHBondContact OD2-NZ 3.02Å
697P72Confident69.8Low83 Ų83102.8 Ų102.854%0.53955%0.548SS..THydrogen-bonded Turntrans-59.7-15.8-178-24.935.7000113.5Y668 R695Y668-P697 HydrophobicContact CE2-CB 4.34Å; Y668-P697 HydrophobicContact CE2-CG 3.91Å; R695-P697 VanDerWaalsContact O-CD 3.22Å; R695-P697 WeakPolarHBondContact O-CD 3.47Å; R695-P697 VanDerWaalsContact O-N 3.17Å
698L84Confident72Confident11 Ų1195 Ų956%0.05851%0.509CS..THydrogen-bonded Turntrans-102.74.4179.8-54.6178.9000112.8L661 I664 E665 D696 E700 K701 K702L661-L698 HydrophobicContact CD1-CB 4.14Å; L661-L698 HydrophobicContact CD1-CD1 4.3Å; I664-L698 HydrophobicContact CB-CD2 4.49Å; I664-L698 HydrophobicContact CG2-CD1 4.5Å; I664-L698 HydrophobicContact CG2-CD2 3.46Å; I664-L698 VanDerWaalsContact CG2-CD2 3.46Å; E665-L698 HydrophobicContact CB-CD1 4.29Å; E665-L698 HydrophobicContact CG-CD1 3.36Å; D696-L698 PolarHBondContact O-N 3.32Å; D696-L698 WeakPolarHBondContact OD1-CB 3.44Å; D696-L698 PolarHBondContact OD1-N 3.25Å; L698-E700 VanDerWaalsContact C-N 3.35Å; L698-E700 PolarHBondContact O-N 3.49Å; L698-K701 PolarHBondContact O-N 3.5Å; L698-K702 WeakPolarHBondContact O-CB 3.46Å; L698-K702 VanDerWaalsContact O-CG 3.27Å; L698-K702 WeakPolarHBondContact O-CG 3.49Å; L698-K702 PolarHBondContact O-N 3.08Å
699A85.9Confident74.6Confident43 Ų4392 Ų9236%0.35549%0.49SS..Hα-helixtrans-55.9-46.4-179.600000112.1D696 K701 K702 T703D696-A699 HydrophobicContact CB-CB 4.18Å; D696-A699 WeakPolarHBondContact O-CB 3.27Å; D696-A699 PolarHBondContact O-N 3.49Å; A699-K701 PolarHBondContact O-N 3.2Å; A699-K702 WeakPolarHBondContact O-CB 3.28Å; A699-K702 PolarHBondContact O-N 3.38Å; A699-T703 WeakPolarHBondContact O-CG2 3.48Å; A699-T703 PolarHBondContact O-N 3.39Å; A699-T703 PolarHBondContact O-OG1 3.15Å
700E87.4Confident77.2Confident138 Ų13893.6 Ų93.665%0.64548%0.478SS*.Hα-helixtrans-61.2-48.5179.3-172.9177.1-16300111.4L698 K702 T703 E704L698-E700 VanDerWaalsContact C-N 3.35Å; L698-E700 PolarHBondContact O-N 3.49Å; E700-K702 VanDerWaalsContact C-N 3.31Å; E700-K702 PolarHBondContact O-N 2.94Å; E700-T703 WeakPolarHBondContact CA-OG1 3.33Å; E700-T703 PolarHBondContact O-N 2.82Å; E700-T703 PolarHBondContact O-OG1 3.36Å; E700-E704 PolarHBondContact O-N 2.91Å
701K89.1Confident79.5Confident87 Ų8791.8 Ų91.838%0.37847%0.468SS..Hα-helixtrans-62.7-37.1176.9-68.7-71.1163.7-135.30112.6L661 L698 A699 E704 I705L661-K701 HydrophobicContact CD1-CB 4.01Å; L698-K701 PolarHBondContact O-N 3.5Å; A699-K701 PolarHBondContact O-N 3.2Å; K701-E704 IonicContact NZ-OE1 3.32Å; K701-E704 PolarHBondContact NZ-OE1 2.93Å; K701-E704 IonicContact NZ-OE2 3.73Å; K701-E704 PolarHBondContact NZ-OE2 3.43Å; K701-E704 PolarHBondContact O-N 3.39Å; K701-I705 WeakPolarHBondContact O-CG1 3.29Å; K701-I705 PolarHBondContact O-N 2.89Å
702K91.8Very high82.1Confident73 Ų7386.7 Ų86.732%0.31743%0.432SS..Hα-helixtrans-63.7-41172.5-73.4172.5-178.1174.60111.2L661 E665 D696 L698 A699 E700 I705 A706L661-K702 HydrophobicContact CD1-CG 4.42Å; L661-K702 HydrophobicContact CD2-CG 3.8Å; E665-K702 VanDerWaalsContact OE1-CE 3.29Å; E665-K702 WeakPolarHBondContact OE1-CE 3.22Å; E665-K702 IonicContact OE1-NZ 3.96Å; D696-K702 IonicContact OD1-NZ 3.21Å; D696-K702 IonicContact OD2-NZ 3.77Å; D696-K702 PolarHBondContact OD2-NZ 3.02Å; L698-K702 WeakPolarHBondContact O-CB 3.46Å; L698-K702 VanDerWaalsContact O-CG 3.27Å; L698-K702 WeakPolarHBondContact O-CG 3.49Å; L698-K702 PolarHBondContact O-N 3.08Å; A699-K702 WeakPolarHBondContact O-CB 3.28Å; A699-K702 PolarHBondContact O-N 3.38Å; E700-K702 VanDerWaalsContact C-N 3.31Å; E700-K702 PolarHBondContact O-N 2.94Å; K702-I705 PolarHBondContact O-N 3.33Å; K702-A706 WeakPolarHBondContact O-CB 3.28Å; K702-A706 PolarHBondContact O-N 2.91Å
703T91.6Very high84.6Confident78 Ų7883.3 Ų83.348%0.47942%0.419SS..Hα-helixtrans-67.5-40.1175.562.50000112.9A699 E700 I705 A706 Q707A699-T703 WeakPolarHBondContact O-CG2 3.48Å; A699-T703 PolarHBondContact O-N 3.39Å; A699-T703 PolarHBondContact O-OG1 3.15Å; E700-T703 WeakPolarHBondContact CA-OG1 3.33Å; E700-T703 PolarHBondContact O-N 2.82Å; E700-T703 PolarHBondContact O-OG1 3.36Å; T703-I705 PolarHBondContact O-N 3Å; T703-A706 PolarHBondContact O-N 3.06Å; T703-Q707 WeakPolarHBondContact O-CG 3.16Å; T703-Q707 PolarHBondContact O-N 3.37Å
704E91.5Very high86.9Confident62 Ų6280.9 Ų80.929%0.2941%0.406SS..Hα-helixtrans-60.7-43.7173.7-73.2174.8-155.100111.5E700 K701 Q707 C708E700-E704 PolarHBondContact O-N 2.91Å; K701-E704 IonicContact NZ-OE1 3.32Å; K701-E704 PolarHBondContact NZ-OE1 2.93Å; K701-E704 IonicContact NZ-OE2 3.73Å; K701-E704 PolarHBondContact NZ-OE2 3.43Å; K701-E704 PolarHBondContact O-N 3.39Å; E704-Q707 PolarHBondContact O-N 3.47Å; E704-C708 WeakPolarHBondContact O-CB 3.4Å; E704-C708 PolarHBondContact O-N 3.49Å
705I93Very high88.7Confident8 Ų877 Ų774%0.04137%0.369CS..Hα-helixtrans-65.6-41.2176.1-74.3163.1000110.6L654 K657 L661 K701 K702 T703 Q707 C708 R709L654-I705 HydrophobicContact CD1-CG2 4.12Å; K657-I705 HydrophobicContact CB-CD1 4.4Å; K657-I705 HydrophobicContact CB-CG1 3.87Å; K657-I705 WeakPolarHBondContact O-CD1 3.35Å; L661-I705 HydrophobicContact CB-CD1 3.4Å; L661-I705 HydrophobicContact CD2-CD1 3.5Å; L661-I705 HydrophobicContact CG-CD1 4Å; K701-I705 WeakPolarHBondContact O-CG1 3.29Å; K701-I705 PolarHBondContact O-N 2.89Å; K702-I705 PolarHBondContact O-N 3.33Å; T703-I705 PolarHBondContact O-N 3Å; I705-Q707 VanDerWaalsContact C-N 3.31Å; I705-Q707 PolarHBondContact O-N 3.48Å; I705-C708 CarbonylContact O-C 3.57Å; I705-C708 WeakPolarHBondContact O-CB 3.45Å; I705-C708 PolarHBondContact O-N 3.45Å; I705-C708 VanDerWaalsContact O-N 3.15Å; I705-R709 HydrophobicContact CG2-CG 4.34Å; I705-R709 WeakPolarHBondContact O-CG 3.32Å; I705-R709 PolarHBondContact O-N 2.91Å
706A93.8Very high90.2Very high48 Ų4872.4 Ų72.440%0.39736%0.358SS..Hα-helixtrans-61.8-38.1175.300000112.3K702 T703 R710K702-A706 WeakPolarHBondContact O-CB 3.28Å; K702-A706 PolarHBondContact O-N 2.91Å; T703-A706 PolarHBondContact O-N 3.06Å; A706-R710 WeakPolarHBondContact O-CG 3.31Å; A706-R710 PolarHBondContact O-N 3.46Å; A706-R710 VanDerWaalsContact O-N 3.15Å
707Q93.1Very high91.2Very high103 Ų10373.1 Ų73.148%0.48137%0.365SS..Hα-helixtrans-66-42.3171.4-70.61778.900112T703 E704 I705 R709 R710 K711T703-Q707 WeakPolarHBondContact O-CG 3.16Å; T703-Q707 PolarHBondContact O-N 3.37Å; E704-Q707 PolarHBondContact O-N 3.47Å; I705-Q707 VanDerWaalsContact C-N 3.31Å; I705-Q707 PolarHBondContact O-N 3.48Å; Q707-R709 VanDerWaalsContact C-N 3.34Å; Q707-R709 PolarHBondContact O-N 2.91Å; Q707-R710 PolarHBondContact O-N 3.41Å; Q707-K711 WeakPolarHBondContact O-CG 3.4Å; Q707-K711 PolarHBondContact O-N 3.2Å
708C92.6Very high92.2Very high7 Ų774.8 Ų74.85%0.04736%0.36CS..Hα-helixtrans-63.3-39.5177.1-161.30000112L654 K657 E704 I705 K711 V712L654-C708 HydrophobicContact CD1-CB 4.14Å; K657-C708 HydrophobicContact CD-CB 4.32Å; E704-C708 WeakPolarHBondContact O-CB 3.4Å; E704-C708 PolarHBondContact O-N 3.49Å; I705-C708 CarbonylContact O-C 3.57Å; I705-C708 WeakPolarHBondContact O-CB 3.45Å; I705-C708 PolarHBondContact O-N 3.45Å; I705-C708 VanDerWaalsContact O-N 3.15Å; C708-K711 PolarHBondContact O-N 3.24Å; C708-V712 WeakPolarHBondContact O-CG2 3.42Å; C708-V712 PolarHBondContact O-N 3.46Å
709R95.6Very high92.7Very high118 Ų11875.9 Ų75.945%0.44537%0.365SS..Hα-helixtrans-60-50.3174.4-75-179.6-177.1173.21.9111.4L654 I705 Q707 K711 V712 E713L654-R709 HydrophobicContact CD1-CB 4.37Å; L654-R709 HydrophobicContact CD1-CG 3.36Å; L654-R709 HydrophobicContact CD2-CG 3.82Å; L654-R709 HydrophobicContact CG-CG 4.22Å; I705-R709 HydrophobicContact CG2-CG 4.34Å; I705-R709 WeakPolarHBondContact O-CG 3.32Å; I705-R709 PolarHBondContact O-N 2.91Å; Q707-R709 VanDerWaalsContact C-N 3.34Å; Q707-R709 PolarHBondContact O-N 2.91Å; R709-K711 VanDerWaalsContact C-N 3.29Å; R709-K711 PolarHBondContact O-N 3.18Å; R709-V712 WeakPolarHBondContact O-CB 3.35Å; R709-V712 PolarHBondContact O-N 3Å; R709-E713 WeakPolarHBondContact O-CG 3.48Å; R709-E713 PolarHBondContact O-N 3.36Å
710R94.9Very high93Very high148 Ų14876.6 Ų76.656%0.55837%0.371SS*.Hα-helixtrans-56.2-42.8175.4-74.7-172.2-72.2161.7-5.9112.3A706 Q707 V712 E713 D714A706-R710 WeakPolarHBondContact O-CG 3.31Å; A706-R710 PolarHBondContact O-N 3.46Å; A706-R710 VanDerWaalsContact O-N 3.15Å; Q707-R710 PolarHBondContact O-N 3.41Å; R710-V712 PolarHBondContact O-N 2.88Å; R710-E713 PolarHBondContact O-N 3.31Å; R710-D714 WeakPolarHBondContact O-CB 3.14Å; R710-D714 VanDerWaalsContact O-CG 3.27Å; R710-D714 PolarHBondContact O-N 3.38Å
711K94Very high93.3Very high121 Ų12176.7 Ų76.753%0.52637%0.369SS..Hα-helixtrans-62.2-40.4175.7-72.6-177.2178.8-175.80113Q707 C708 R709 E715Q707-K711 WeakPolarHBondContact O-CG 3.4Å; Q707-K711 PolarHBondContact O-N 3.2Å; C708-K711 PolarHBondContact O-N 3.24Å; R709-K711 VanDerWaalsContact C-N 3.29Å; R709-K711 PolarHBondContact O-N 3.18Å; K711-E715 WeakPolarHBondContact O-CG 3.49Å; K711-E715 PolarHBondContact O-N 3.26Å
712V94.7Very high93.5Very high8 Ų873.2 Ų73.25%0.04836%0.357CS..Hα-helixtrans-65.4-45.4175.7171.70000110.7Y650 L654 C708 R709 R710 D714 E715 M716Y650-V712 VanDerWaalsContact C-CG2 3.45Å; Y650-V712 VanDerWaalsContact O-CG2 3.28Å; Y650-V712 WeakPolarHBondContact O-CG2 3.29Å; L654-V712 HydrophobicContact CB-CG2 3.85Å; L654-V712 HydrophobicContact CD2-CB 4.15Å; L654-V712 HydrophobicContact CD2-CG1 4.33Å; L654-V712 HydrophobicContact CD2-CG2 3.9Å; C708-V712 WeakPolarHBondContact O-CG2 3.42Å; C708-V712 PolarHBondContact O-N 3.46Å; R709-V712 WeakPolarHBondContact O-CB 3.35Å; R709-V712 PolarHBondContact O-N 3Å; R710-V712 PolarHBondContact O-N 2.88Å; V712-D714 PolarHBondContact O-N 2.66Å; V712-E715 PolarHBondContact O-N 3.05Å; V712-M716 HydrophobicContact CG1-CG 4.24Å; V712-M716 HydrophobicContact CG1-SD 3.94Å; V712-M716 WeakPolarHBondContact O-CB 3.48Å; V712-M716 VanDerWaalsContact O-CG 3.27Å; V712-M716 WeakPolarHBondContact O-CG 3.38Å; V712-M716 PolarHBondContact O-N 3.48Å
713E95.1Very high93.5Very high112 Ų11270.2 Ų70.252%0.52335%0.345SS..Hα-helixtrans-58.2-47.5175.9-71.9164.3-162.100111R709 R710 E715 M716 T717R709-E713 WeakPolarHBondContact O-CG 3.48Å; R709-E713 PolarHBondContact O-N 3.36Å; R710-E713 PolarHBondContact O-N 3.31Å; E713-E715 PolarHBondContact O-N 2.86Å; E713-M716 PolarHBondContact O-N 3.15Å; E713-T717 WeakPolarHBondContact O-CG2 3.5Å; E713-T717 PolarHBondContact O-N 2.92Å
714D94.2Very high93.5Very high79 Ų7972 Ų7242%0.42235%0.348SS..Hα-helixtrans-57.9-46.8175.4-71.5-18000111.7R710 V712 M716 T717 R718R710-D714 WeakPolarHBondContact O-CB 3.14Å; R710-D714 VanDerWaalsContact O-CG 3.27Å; R710-D714 PolarHBondContact O-N 3.38Å; V712-D714 PolarHBondContact O-N 2.66Å; D714-M716 PolarHBondContact O-N 2.92Å; D714-T717 PolarHBondContact O-N 3.32Å; D714-T717 PolarHBondContact O-OG1 3.05Å; D714-R718 WeakPolarHBondContact O-CG 3.37Å; D714-R718 PolarHBondContact O-N 2.88Å
715E93.2Very high93.5Very high24 Ų2472.1 Ų72.111%0.11235%0.353CS..Hα-helixtrans-67.8-33.2177.8-75.6-70.7132.100113.1T647 Y650 K711 V712 E713 R718 H719T647-E715 HydrophobicContact CG2-CB 4.34Å; T647-E715 PolarHBondContact OG1-O 3.41Å; Y650-E715 HydrophobicContact CD2-CB 4.39Å; Y650-E715 HydrophobicContact CD2-CG 3.62Å; Y650-E715 HydrophobicContact CE2-CG 3.82Å; Y650-E715 HydrophobicContact CG-CG 4.46Å; K711-E715 WeakPolarHBondContact O-CG 3.49Å; K711-E715 PolarHBondContact O-N 3.26Å; V712-E715 PolarHBondContact O-N 3.05Å; E713-E715 PolarHBondContact O-N 2.86Å; E715-R718 PolarHBondContact O-N 2.89Å; E715-R718 IonicContact OE1-CZ 3.9Å; E715-R718 IonicContact OE1-NE 3.89Å; E715-R718 IonicContact OE1-NH1 2.67Å; E715-R718 PolarHBondContact OE1-NH1 3.33Å; E715-H719 WeakPolarHBondContact O-CB 3.19Å; E715-H719 PolarHBondContact O-N 3.33Å
716M93.4Very high93.4Very high108 Ų10871.9 Ų71.953%0.53235%0.351SS..Hα-helixtrans-66.4-39.6173.6-74.8-178.672.300111.3T647 V712 E713 D714 H719 A720T647-M716 HydrophobicContact CG2-CB 4.31Å; T647-M716 HydrophobicContact CG2-CG 3.48Å; T647-M716 VanDerWaalsContact CG2-CG 3.48Å; V712-M716 HydrophobicContact CG1-CG 4.24Å; V712-M716 HydrophobicContact CG1-SD 3.94Å; V712-M716 WeakPolarHBondContact O-CB 3.48Å; V712-M716 VanDerWaalsContact O-CG 3.27Å; V712-M716 WeakPolarHBondContact O-CG 3.38Å; V712-M716 PolarHBondContact O-N 3.48Å; E713-M716 PolarHBondContact O-N 3.15Å; D714-M716 PolarHBondContact O-N 2.92Å; M716-H719 PolarHBondContact O-N 3.46Å; M716-A720 WeakPolarHBondContact O-CB 3.45Å; M716-A720 PolarHBondContact O-N 3.07Å
717T94.4Very high93.3Very high76 Ų7670.2 Ų70.247%0.46634%0.335SS..Hα-helixtrans-66.6-37.6174.366.50000112E713 D714 A720 K721E713-T717 WeakPolarHBondContact O-CG2 3.5Å; E713-T717 PolarHBondContact O-N 2.92Å; D714-T717 PolarHBondContact O-N 3.32Å; D714-T717 PolarHBondContact O-OG1 3.05Å; T717-A720 PolarHBondContact O-N 3.01Å; T717-K721 WeakPolarHBondContact O-CG 3.38Å; T717-K721 PolarHBondContact O-N 2.94Å
718R93.6Very high93.1Very high118 Ų11868.5 Ų68.545%0.44534%0.335SS..Hα-helixtrans-62.6-44.2172.9-70.1-179.1-166.39814.8111.6I643 D714 E715 K721 A722I643-R718 HydrophobicContact CG2-CB 4.25Å; D714-R718 WeakPolarHBondContact O-CG 3.37Å; D714-R718 PolarHBondContact O-N 2.88Å; E715-R718 PolarHBondContact O-N 2.89Å; E715-R718 IonicContact OE1-CZ 3.9Å; E715-R718 IonicContact OE1-NE 3.89Å; E715-R718 IonicContact OE1-NH1 2.67Å; E715-R718 PolarHBondContact OE1-NH1 3.33Å; R718-K721 PolarHBondContact O-N 3.03Å; R718-A722 WeakPolarHBondContact O-CB 3.39Å; R718-A722 PolarHBondContact O-N 2.73Å
719H93.8Very high93Very high35 Ų3571.1 Ų71.116%0.16235%0.347CS..Hα-helixtrans-61.1-47.7175.6175.4-112.5000111.5I643 E715 M716 K721 A722 V723I643-H719 HydrophobicContact CG2-CB 3.94Å; E715-H719 WeakPolarHBondContact O-CB 3.19Å; E715-H719 PolarHBondContact O-N 3.33Å; M716-H719 PolarHBondContact O-N 3.46Å; H719-K721 VanDerWaalsContact C-N 3.34Å; H719-K721 PolarHBondContact O-N 3.39Å; H719-A722 WeakPolarHBondContact O-CB 3.29Å; H719-A722 PolarHBondContact O-N 2.89Å; H719-A722 VanDerWaalsContact O-N 3.08Å; H719-V723 WeakPolarHBondContact O-CG2 3.39Å; H719-V723 PolarHBondContact O-N 3.42Å
720A92.8Very high92.8Very high58 Ų5865.6 Ų65.648%0.47933%0.326SS..Hα-helixtrans-57.9-44.4178.100000112.3M716 T717 A722 V723 E724M716-A720 WeakPolarHBondContact O-CB 3.45Å; M716-A720 PolarHBondContact O-N 3.07Å; T717-A720 PolarHBondContact O-N 3.01Å; A720-A722 VanDerWaalsContact C-N 3.35Å; A720-A722 PolarHBondContact O-N 3.32Å; A720-V723 PolarHBondContact O-N 2.99Å; A720-E724 PolarHBondContact O-N 2.88Å
721K93.1Very high92.7Very high139 Ų13959.8 Ų59.860%0.60431%0.306SS*.Hα-helixtrans-62.3-39.9174.3-71.6178.9-179.1-174.80112.5T717 R718 H719 E724 V725T717-K721 WeakPolarHBondContact O-CG 3.38Å; T717-K721 PolarHBondContact O-N 2.94Å; R718-K721 PolarHBondContact O-N 3.03Å; H719-K721 VanDerWaalsContact C-N 3.34Å; H719-K721 PolarHBondContact O-N 3.39Å; K721-E724 PolarHBondContact O-N 3.48Å; K721-V725 WeakPolarHBondContact O-CG2 3.15Å; K721-V725 PolarHBondContact O-N 2.82Å
722A93.1Very high92.6Very high15 Ų1558.2 Ų58.212%0.12430%0.303CS..Hα-helixtrans-66.5-37178.200000112.5E640 I643 R718 H719 A720 T726E640-A722 HydrophobicContact CB-CB 4.41Å; E640-A722 HydrophobicContact CG-CB 4.2Å; I643-A722 HydrophobicContact CD1-CB 3.61Å; R718-A722 WeakPolarHBondContact O-CB 3.39Å; R718-A722 PolarHBondContact O-N 2.73Å; H719-A722 WeakPolarHBondContact O-CB 3.29Å; H719-A722 PolarHBondContact O-N 2.89Å; H719-A722 VanDerWaalsContact O-N 3.08Å; A720-A722 VanDerWaalsContact C-N 3.35Å; A720-A722 PolarHBondContact O-N 3.32Å; A722-T726 WeakPolarHBondContact O-CB 3.46Å; A722-T726 PolarHBondContact O-N 3.46Å; A722-T726 PolarHBondContact O-OG1 3.29Å
723V92Very high92.4Very high10 Ų1058.9 Ų58.96%0.06131%0.307CS..Hα-helixtrans-61.3-51.6172.4175.80000109.7E640 H719 A720 V725 T726 R727E640-V723 HydrophobicContact CG-CG2 3.98Å; E640-V723 WeakPolarHBondContact OE1-CG2 3.23Å; H719-V723 WeakPolarHBondContact O-CG2 3.39Å; H719-V723 PolarHBondContact O-N 3.42Å; A720-V723 PolarHBondContact O-N 2.99Å; V723-V725 VanDerWaalsContact C-N 3.34Å; V723-V725 PolarHBondContact O-N 3.45Å; V723-T726 PolarHBondContact O-N 3.04Å; V723-T726 VanDerWaalsContact O-N 3.15Å; V723-R727 HydrophobicContact CG1-CG 4.2Å; V723-R727 VanDerWaalsContact O-CG 3.28Å; V723-R727 WeakPolarHBondContact O-CG 3.06Å; V723-R727 PolarHBondContact O-N 3Å
724E90.9Very high92.3Very high114 Ų11453.8 Ų53.853%0.53328%0.283SS..Hα-helixtrans-57.7-44.9-179.5-175.3-179.7-175.500112.4A720 K721 R727 S728A720-E724 PolarHBondContact O-N 2.88Å; K721-E724 PolarHBondContact O-N 3.48Å; E724-R727 PolarHBondContact O-N 3.41Å; E724-S728 VanDerWaalsContact O-CB 3.29Å; E724-S728 WeakPolarHBondContact O-CB 3.4Å; E724-S728 PolarHBondContact O-N 3.46Å; E724-S728 PolarHBondContact O-OG 2.91Å
725V91.7Very high92.2Very high65 Ų6552 Ų5239%0.39427%0.272SS..Hα-helixtrans-61.7-46.6176.1171.80000110.7K636 K721 V723 R727 S728 M729K636-V725 HydrophobicContact CD-CG1 4.42Å; K721-V725 WeakPolarHBondContact O-CG2 3.15Å; K721-V725 PolarHBondContact O-N 2.82Å; V723-V725 VanDerWaalsContact C-N 3.34Å; V723-V725 PolarHBondContact O-N 3.45Å; V725-R727 PolarHBondContact O-N 3.47Å; V725-S728 PolarHBondContact O-N 2.71Å; V725-M729 HydrophobicContact CG1-CE 4Å; V725-M729 HydrophobicContact CG1-CG 4.37Å; V725-M729 HydrophobicContact CG1-SD 4.03Å; V725-M729 VanDerWaalsContact O-CB 3.29Å; V725-M729 WeakPolarHBondContact O-CB 3.16Å; V725-M729 VanDerWaalsContact O-CG 3.31Å; V725-M729 WeakPolarHBondContact O-CG 3.29Å; V725-M729 PolarHBondContact O-N 3.18Å
726T92.3Very high91.9Very high3 Ų354.3 Ų54.32%0.01829%0.288CS..Hα-helixtrans-63.2-42.7-179.4-59.40000111.3K636 Q637 E640 A722 V723 T730K636-T726 HydrophobicContact CB-CG2 4.22Å; K636-T726 PolarHBondContact O-OG1 3.04Å; Q637-T726 HydrophobicContact CG-CG2 3.79Å; E640-T726 WeakPolarHBondContact OE2-CB 3.34Å; E640-T726 WeakPolarHBondContact OE2-CG2 3.4Å; E640-T726 PolarHBondContact OE2-OG1 2.78Å; A722-T726 WeakPolarHBondContact O-CB 3.46Å; A722-T726 PolarHBondContact O-N 3.46Å; A722-T726 PolarHBondContact O-OG1 3.29Å; V723-T726 PolarHBondContact O-N 3.04Å; V723-T726 VanDerWaalsContact O-N 3.15Å; T726-T730 VanDerWaalsContact O-CB 3.28Å; T726-T730 WeakPolarHBondContact O-CB 3.49Å; T726-T730 PolarHBondContact O-N 2.98Å; T726-T730 PolarHBondContact O-OG1 3.25Å
727R90.3Very high91.8Very high13 Ų1349.7 Ų49.75%0.04927%0.268CS..Hα-helixtrans-66.3-48177.9-65.2-63.5170.5-170.85.1112.1H59 E534 V723 E724 V725 M729 T730 L731H59-R727 PolarHBondContact CE1-NH1 3.05Å; H59-R727 PolarHBondContact ND1-NH1 3.41Å; E534-R727 VanDerWaalsContact O-CZ 3.27Å; E534-R727 PolarHBondContact O-NE 3.07Å; E534-R727 PolarHBondContact O-NH2 3.23Å; V723-R727 HydrophobicContact CG1-CG 4.2Å; V723-R727 VanDerWaalsContact O-CG 3.28Å; V723-R727 WeakPolarHBondContact O-CG 3.06Å; V723-R727 PolarHBondContact O-N 3Å; E724-R727 PolarHBondContact O-N 3.41Å; V725-R727 PolarHBondContact O-N 3.47Å; R727-M729 PolarHBondContact O-N 2.99Å; R727-T730 PolarHBondContact O-N 2.95Å; R727-L731 WeakPolarHBondContact O-CB 3.28Å; R727-L731 PolarHBondContact O-N 2.8Å
728S90.3Very high91.7Very high68 Ų6846.2 Ų46.248%0.47625%0.247SC..Hα-helixtrans-61.6-44.1178.1-58.70000112E724 V725 L731 N732E724-S728 VanDerWaalsContact O-CB 3.29Å; E724-S728 WeakPolarHBondContact O-CB 3.4Å; E724-S728 PolarHBondContact O-N 3.46Å; E724-S728 PolarHBondContact O-OG 2.91Å; V725-S728 PolarHBondContact O-N 2.71Å; S728-L731 PolarHBondContact O-N 3.41Å; S728-N732 WeakPolarHBondContact O-CB 3.47Å; S728-N732 PolarHBondContact O-N 2.95Å
729M89.8Confident91.7Very high62 Ų6240.6 Ų40.631%0.30523%0.226SC..Hα-helixtrans-64.7-43.6175.7-76-171.2173.800111.5K636 V725 R727 L731 N732 N733K636-M729 HydrophobicContact CD-CE 4.5Å; K636-M729 HydrophobicContact CD-SD 3.59Å; K636-M729 VanDerWaalsContact CD-SD 3.59Å; K636-M729 HydrophobicContact CG-SD 3.64Å; V725-M729 HydrophobicContact CG1-CE 4Å; V725-M729 HydrophobicContact CG1-CG 4.37Å; V725-M729 HydrophobicContact CG1-SD 4.03Å; V725-M729 VanDerWaalsContact O-CB 3.29Å; V725-M729 WeakPolarHBondContact O-CB 3.16Å; V725-M729 VanDerWaalsContact O-CG 3.31Å; V725-M729 WeakPolarHBondContact O-CG 3.29Å; V725-M729 PolarHBondContact O-N 3.18Å; R727-M729 PolarHBondContact O-N 2.99Å; M729-L731 PolarHBondContact O-N 3.15Å; M729-N732 PolarHBondContact O-N 3.48Å; M729-N733 WeakPolarHBondContact O-CB 3.34Å; M729-N733 PolarHBondContact O-N 3.03Å; M729-N733 PolarHBondContact O-ND2 3.32Å
730T91.8Very high91.6Very high2 Ų240.6 Ų40.61%0.01224%0.235CC..Hα-helixtrans-58.3-48.1177-59.50000111F55 I633 T726 R727 N733 I734F55-T730 HydrophobicContact CZ-CG2 4.01Å; I633-T730 HydrophobicContact CD1-CG2 4.26Å; I633-T730 HydrophobicContact CG2-CG2 4.28Å; T726-T730 VanDerWaalsContact O-CB 3.28Å; T726-T730 WeakPolarHBondContact O-CB 3.49Å; T726-T730 PolarHBondContact O-N 2.98Å; T726-T730 PolarHBondContact O-OG1 3.25Å; R727-T730 PolarHBondContact O-N 2.95Å; T730-N733 PolarHBondContact O-N 2.89Å; T730-I734 HydrophobicContact CG2-CD1 3.59Å; T730-I734 HydrophobicContact CG2-CG1 4.43Å; T730-I734 VanDerWaalsContact O-CB 3.32Å; T730-I734 WeakPolarHBondContact O-CB 3.45Å; T730-I734 WeakPolarHBondContact O-CD1 3.29Å; T730-I734 WeakPolarHBondContact O-CG1 3.47Å; T730-I734 PolarHBondContact O-N 3.17Å
731L91.5Very high91.7Very high26 Ų2638 Ų3814%0.13621%0.213CC..Hα-helixtrans-59.6-52.9177.617759.6000111.8L62 L527 D529 R727 S728 M729 N733 I734 Q735L62-L731 HydrophobicContact CD2-CD1 4.08Å; L527-L731 HydrophobicContact CB-CD1 3.58Å; D529-L731 HydrophobicContact CB-CD2 4.31Å; R727-L731 WeakPolarHBondContact O-CB 3.28Å; R727-L731 PolarHBondContact O-N 2.8Å; S728-L731 PolarHBondContact O-N 3.41Å; M729-L731 PolarHBondContact O-N 3.15Å; L731-N733 VanDerWaalsContact C-N 3.34Å; L731-N733 PolarHBondContact O-N 3.42Å; L731-I734 PolarHBondContact O-N 3.11Å; L731-Q735 HydrophobicContact CD1-CG 4.11Å; L731-Q735 WeakPolarHBondContact O-CB 3.33Å; L731-Q735 VanDerWaalsContact O-CG 3.29Å; L731-Q735 WeakPolarHBondContact O-CG 3.47Å; L731-Q735 PolarHBondContact O-N 3.19Å
732N91.7Very high91.8Very high87 Ų8731.4 Ų31.447%0.46518%0.184SC..Hα-helixtrans-61.7-41.9-178.8179.961.3000112.2S728 M729 Q735 T736S728-N732 WeakPolarHBondContact O-CB 3.47Å; S728-N732 PolarHBondContact O-N 2.95Å; M729-N732 PolarHBondContact O-N 3.48Å; N732-Q735 PolarHBondContact O-N 3.46Å; N732-T736 WeakPolarHBondContact O-CB 3.25Å; N732-T736 WeakPolarHBondContact O-CG2 3.5Å; N732-T736 PolarHBondContact O-N 3.17Å; N732-T736 PolarHBondContact O-OG1 3.39Å
733N91.8Very high91.9Very high23 Ų2336.1 Ų36.112%0.12320%0.204CC..Hα-helixtrans-64.3-40.9178.2-81.4-2.5000112.1V629 I633 M729 T730 L731 T736 G737V629-N733 HydrophobicContact CG1-CB 3.44Å; V629-N733 VanDerWaalsContact CG1-CB 3.44Å; I633-N733 HydrophobicContact CD1-CB 3.95Å; I633-N733 HydrophobicContact CG1-CB 4.15Å; M729-N733 WeakPolarHBondContact O-CB 3.34Å; M729-N733 PolarHBondContact O-N 3.03Å; M729-N733 PolarHBondContact O-ND2 3.32Å; T730-N733 PolarHBondContact O-N 2.89Å; L731-N733 VanDerWaalsContact C-N 3.34Å; L731-N733 PolarHBondContact O-N 3.42Å; N733-T736 PolarHBondContact O-OG1 3.45Å; N733-G737 WeakPolarHBondContact O-CA 3.2Å; N733-G737 PolarHBondContact O-N 3.24Å
734I92.4Very high92Very high4 Ų436.6 Ų36.62%0.02121%0.209CC..Hα-helixtrans-66.2-45.4175-73.5167.7000110.7F55 L62 L324 V524 L527 T730 L731 T736 L738F55-I734 HydrophobicContact CE1-CD1 3.53Å; F55-I734 HydrophobicContact CE1-CG1 4.07Å; F55-I734 HydrophobicContact CZ-CD1 3.82Å; F55-I734 HydrophobicContact CZ-CG1 4.4Å; L62-I734 HydrophobicContact CD1-CD1 4.23Å; L324-I734 HydrophobicContact CD1-CG2 4.29Å; L324-I734 HydrophobicContact CD2-CD1 4.1Å; V524-I734 HydrophobicContact CG1-CB 4.5Å; V524-I734 HydrophobicContact CG1-CG2 3.28Å; V524-I734 WeakPolarHBondContact CG1-O 3.34Å; L527-I734 HydrophobicContact CD1-CG2 4.05Å; T730-I734 HydrophobicContact CG2-CD1 3.59Å; T730-I734 HydrophobicContact CG2-CG1 4.43Å; T730-I734 VanDerWaalsContact O-CB 3.32Å; T730-I734 WeakPolarHBondContact O-CB 3.45Å; T730-I734 WeakPolarHBondContact O-CD1 3.29Å; T730-I734 WeakPolarHBondContact O-CG1 3.47Å; T730-I734 PolarHBondContact O-N 3.17Å; L731-I734 PolarHBondContact O-N 3.11Å; I734-T736 VanDerWaalsContact C-N 3.26Å; I734-T736 PolarHBondContact O-N 3.42Å; I734-L738 HydrophobicContact CG2-CD1 4Å; I734-L738 PolarHBondContact O-N 2.79Å
735Q91.5Very high92.2Very high42 Ų4231.4 Ų31.420%0.19619%0.185CC..Hα-helixtrans-62.3-29.6179.5-78.3176.5-25.700114V524 R525 L527 L731 N732 P739V524-Q735 VanDerWaalsContact O-CG 3.31Å; V524-Q735 WeakPolarHBondContact O-CG 3.41Å; R525-Q735 PolarHBondContact O-NE2 2.97Å; L527-Q735 PolarHBondContact O-NE2 3.12Å; L731-Q735 HydrophobicContact CD1-CG 4.11Å; L731-Q735 WeakPolarHBondContact O-CB 3.33Å; L731-Q735 VanDerWaalsContact O-CG 3.29Å; L731-Q735 WeakPolarHBondContact O-CG 3.47Å; L731-Q735 PolarHBondContact O-N 3.19Å; N732-Q735 PolarHBondContact O-N 3.46Å; Q735-P739 WeakPolarHBondContact O-CG 3.39Å
736T88.9Confident92.4Very high72 Ų7228.8 Ų28.844%0.44217%0.169SC..Hα-helixtrans-102.3-43.6-175.654.10000112.5N732 N733 I734N732-T736 WeakPolarHBondContact O-CB 3.25Å; N732-T736 WeakPolarHBondContact O-CG2 3.5Å; N732-T736 PolarHBondContact O-N 3.17Å; N732-T736 PolarHBondContact O-OG1 3.39Å; N733-T736 PolarHBondContact O-OG1 3.45Å; I734-T736 VanDerWaalsContact C-N 3.26Å; I734-T736 PolarHBondContact O-N 3.42Å
737G91.2Very high92.5Very high12 Ų1230.8 Ų30.812%0.12419%0.191CC..Hα-helixtrans-73.5-47.6-173.700000113.9N733 G740 M741N733-G737 WeakPolarHBondContact O-CA 3.2Å; N733-G737 PolarHBondContact O-N 3.24Å; G737-G740 PolarHBondContact O-N 2.99Å; G737-M741 PolarHBondContact O-N 3.29Å; G737-M741 VanDerWaalsContact O-N 3.11Å
738L92.2Very high92.8Very high3 Ų330.4 Ų30.42%0.01619%0.189CC..Hα-helixtrans-63-50-176.2-76.8178.1000112.6L52 V521 V524 F626 I734 G740 M741 F742L52-L738 HydrophobicContact CD1-CD2 4.3Å; V521-L738 HydrophobicContact CG2-CB 3.74Å; V521-L738 HydrophobicContact CG2-CD1 4.48Å; V524-L738 HydrophobicContact CG1-CD1 4.48Å; F626-L738 HydrophobicContact CD2-CD2 4.31Å; F626-L738 HydrophobicContact CE1-CD2 3.84Å; F626-L738 HydrophobicContact CE2-CD2 3.52Å; F626-L738 HydrophobicContact CE2-CG 3.75Å; F626-L738 HydrophobicContact CZ-CD2 3.26Å; F626-L738 HydrophobicContact CZ-CG 3.91Å; I734-L738 HydrophobicContact CG2-CD1 4Å; I734-L738 PolarHBondContact O-N 2.79Å; L738-G740 VanDerWaalsContact C-N 3.32Å; L738-G740 PolarHBondContact O-N 2.69Å; L738-M741 HydrophobicContact CD2-CE 4.01Å; L738-M741 PolarHBondContact O-N 3.14Å; L738-F742 HydrophobicContact CD2-CE2 4.19Å; L738-F742 WeakPolarHBondContact O-CD2 3.22Å; L738-F742 PolarHBondContact O-N 3.37Å; L738-F742 VanDerWaalsContact O-N 3.1Å
739P93.1Very high93Very high0 Ų027.2 Ų27.20%017%0.167CC..Hα-helixtrans-61-39.6179.7-25.236.6000113.2V521 R525 Q735 M741 Q743V521-P739 HydrophobicContact CG1-CB 4.39Å; R525-P739 HydrophobicContact CG-CG 4.24Å; Q735-P739 WeakPolarHBondContact O-CG 3.39Å; P739-M741 VanDerWaalsContact C-N 3.34Å; P739-M741 PolarHBondContact O-N 3.2Å; P739-Q743 VanDerWaalsContact O-CB 3.23Å; P739-Q743 WeakPolarHBondContact O-CB 3.48Å; P739-Q743 PolarHBondContact O-N 3.02Å
740G92Very high93.3Very high34 Ų3425 Ų2535%0.35116%0.16SC..Hα-helixtrans-62.6-41.317800000112.5G737 L738 A744G737-G740 PolarHBondContact O-N 2.99Å; L738-G740 VanDerWaalsContact C-N 3.32Å; L738-G740 PolarHBondContact O-N 2.69Å; G740-A744 PolarHBondContact O-N 3.26Å; G740-A744 VanDerWaalsContact O-N 3.15Å
741M95.1Very high93.5Very high4 Ų427 Ų272%0.0217%0.172CC..Hα-helixtrans-63.4-51.9177.2-177.1-171.869.500112.1W554 I623 F626 G737 L738 P739 Q743 A744 I745W554-M741 HydrophobicContact CH2-CE 4.25Å; W554-M741 HydrophobicContact CH2-SD 4.23Å; W554-M741 HydrophobicContact CZ3-CE 3.89Å; W554-M741 HydrophobicContact CZ3-SD 3.63Å; I623-M741 HydrophobicContact CG1-CG 4.31Å; F626-M741 HydrophobicContact CB-CB 4.29Å; F626-M741 HydrophobicContact CB-CG 4.32Å; F626-M741 HydrophobicContact CB-SD 3.75Å; F626-M741 HydrophobicContact CD1-CE 4.11Å; F626-M741 HydrophobicContact CD1-SD 3.44Å; F626-M741 WeakPolarHBondContact CD1-SD 3.19Å; F626-M741 HydrophobicContact CE1-CE 4.38Å; F626-M741 HydrophobicContact CE1-SD 4.26Å; F626-M741 HydrophobicContact CG-SD 3.71Å; G737-M741 PolarHBondContact O-N 3.29Å; G737-M741 VanDerWaalsContact O-N 3.11Å; L738-M741 HydrophobicContact CD2-CE 4.01Å; L738-M741 PolarHBondContact O-N 3.14Å; P739-M741 VanDerWaalsContact C-N 3.34Å; P739-M741 PolarHBondContact O-N 3.2Å; M741-Q743 PolarHBondContact O-N 3.23Å; M741-A744 PolarHBondContact O-N 2.98Å; M741-I745 HydrophobicContact CG-CD1 3.79Å; M741-I745 WeakPolarHBondContact O-CD1 3.49Å; M741-I745 WeakPolarHBondContact O-CG1 3.27Å; M741-I745 PolarHBondContact O-N 2.96Å
742F94.6Very high93.7Very high0 Ų025.8 Ų25.80%017%0.166CC..Hα-helixtrans-67.1-34.9-179-79.1-76.1000112.9I331 F335 Q517 N518 V521 L738 A744 I745 A746I331-F742 HydrophobicContact CD1-CE2 4.39Å; I331-F742 HydrophobicContact CG2-CE1 4.12Å; I331-F742 HydrophobicContact CG2-CE2 4.35Å; I331-F742 HydrophobicContact CG2-CZ 3.57Å; F335-F742 AromaticContact CE2-CE1 3.9Å; F335-F742 HydrophobicContact CE2-CE1 3.9Å; F335-F742 AromaticContact CE2-CZ 3.65Å; F335-F742 HydrophobicContact CE2-CZ 3.65Å; F335-F742 AromaticContact CZ-CE1 3.66Å; F335-F742 HydrophobicContact CZ-CE1 3.66Å; F335-F742 AromaticContact CZ-CZ 3.71Å; F335-F742 HydrophobicContact CZ-CZ 3.71Å; Q517-F742 HydrophobicContact CB-CD1 3.75Å; Q517-F742 HydrophobicContact CB-CE1 3.81Å; Q517-F742 HydrophobicContact CG-CE1 4.3Å; N518-F742 HydrophobicContact CB-CB 4.17Å; V521-F742 HydrophobicContact CB-CD2 4.1Å; V521-F742 HydrophobicContact CG1-CB 3.99Å; V521-F742 HydrophobicContact CG1-CD2 4.02Å; V521-F742 HydrophobicContact CG1-CG 4.26Å; V521-F742 HydrophobicContact CG2-CD2 3.86Å; V521-F742 HydrophobicContact CG2-CE2 4.17Å; L738-F742 HydrophobicContact CD2-CE2 4.19Å; L738-F742 WeakPolarHBondContact O-CD2 3.22Å; L738-F742 PolarHBondContact O-N 3.37Å; L738-F742 VanDerWaalsContact O-N 3.1Å; F742-A744 VanDerWaalsContact C-N 3.34Å; F742-A744 PolarHBondContact O-N 2.79Å; F742-I745 PolarHBondContact O-N 3.09Å; F742-A746 VanDerWaalsContact O-CB 3.3Å; F742-A746 WeakPolarHBondContact O-CB 3.24Å; F742-A746 PolarHBondContact O-N 3.25Å
743Q94.6Very high93.9Very high115 Ų11522.7 Ų22.754%0.53715%0.15SC..Hα-helixtrans-61-44.2174.1-178.4179.9-9.500111.5N518 P739 M741 G747N518-Q743 WeakPolarHBondContact OD1-CA 3.47Å; N518-Q743 PolarHBondContact OD1-N 2.69Å; P739-Q743 VanDerWaalsContact O-CB 3.23Å; P739-Q743 WeakPolarHBondContact O-CB 3.48Å; P739-Q743 PolarHBondContact O-N 3.02Å; M741-Q743 PolarHBondContact O-N 3.23Å; Q743-G747 PolarHBondContact O-N 3.14Å
744A95.3Very high94Very high20 Ų2027.9 Ų27.917%0.16517%0.174CC..Hα-helixtrans-66.7-40.1178.800000112.2A622 G740 M741 F742 F748A622-A744 HydrophobicContact CB-CB 3.33Å; G740-A744 PolarHBondContact O-N 3.26Å; G740-A744 VanDerWaalsContact O-N 3.15Å; M741-A744 PolarHBondContact O-N 2.98Å; F742-A744 VanDerWaalsContact C-N 3.34Å; F742-A744 PolarHBondContact O-N 2.79Å; A744-F748 VanDerWaalsContact O-CB 3.3Å; A744-F748 WeakPolarHBondContact O-CB 3.37Å; A744-F748 PolarHBondContact O-N 3.03Å
745I94.5Very high94.1Very high5 Ų528.8 Ų28.83%0.02618%0.182CC..Hα-helixtrans-69.2-44.8179.3-66.3160.9000111.2H514 W554 I623 M741 F742 F748 S749H514-I745 HydrophobicContact CB-CG2 4.38Å; H514-I745 VanDerWaalsContact CD2-CG2 3.49Å; H514-I745 WeakPolarHBondContact CD2-CG2 3.41Å; W554-I745 HydrophobicContact CH2-CD1 3.13Å; W554-I745 HydrophobicContact CH2-CG1 4.49Å; W554-I745 HydrophobicContact CZ2-CD1 3.42Å; W554-I745 VanDerWaalsContact CZ2-CD1 3.42Å; W554-I745 HydrophobicContact CZ2-CG1 4.45Å; W554-I745 HydrophobicContact CZ3-CD1 4.1Å; I623-I745 HydrophobicContact CD1-CD1 4.25Å; I623-I745 HydrophobicContact CD1-CG1 4.3Å; I623-I745 HydrophobicContact CG1-CD1 3.98Å; I623-I745 HydrophobicContact CG1-CG1 4.23Å; M741-I745 HydrophobicContact CG-CD1 3.79Å; M741-I745 WeakPolarHBondContact O-CD1 3.49Å; M741-I745 WeakPolarHBondContact O-CG1 3.27Å; M741-I745 PolarHBondContact O-N 2.96Å; F742-I745 PolarHBondContact O-N 3.09Å; I745-F748 PolarHBondContact O-N 3.01Å; I745-S749 PolarHBondContact O-N 3.49Å; I745-S749 PolarHBondContact O-OG 2.88Å; I745-S749 VanDerWaalsContact O-OG 3.05Å
746A95.2Very high94.2Very high9 Ų926.9 Ų26.97%0.07417%0.173CC..Hα-helixtrans-61.2-4517600000111.1N511 H514 E515 N518 F742 F748 S749 G750N511-A746 PolarHBondContact OD1-O 2.88Å; H514-A746 HydrophobicContact CB-CB 4.1Å; E515-A746 HydrophobicContact CG-CB 4.48Å; N518-A746 HydrophobicContact CB-CB 4.27Å; F742-A746 VanDerWaalsContact O-CB 3.3Å; F742-A746 WeakPolarHBondContact O-CB 3.24Å; F742-A746 PolarHBondContact O-N 3.25Å; A746-F748 VanDerWaalsContact C-N 3.34Å; A746-F748 PolarHBondContact O-N 3.44Å; A746-S749 WeakPolarHBondContact CA-OG 3.16Å; A746-S749 PolarHBondContact O-N 3.32Å; A746-S749 PolarHBondContact O-OG 2.74Å; A746-G750 PolarHBondContact O-N 3.43Å
747G95.4Very high94.5Very high45 Ų4524.7 Ų24.746%0.46416%0.159SC..Hα-helixtrans-59.7-44.3174.300000112.4Q743 G750 T751Q743-G747 PolarHBondContact O-N 3.14Å; G747-G750 PolarHBondContact O-N 2.9Å; G747-T751 WeakPolarHBondContact O-CG2 3.34Å; G747-T751 PolarHBondContact O-N 3.21Å; G747-T751 VanDerWaalsContact O-N 3.07Å
748F95.9Very high94.5Very high6 Ų627.3 Ų27.33%0.02617%0.172CC..Hα-helixtrans-63.4-48.8177.4172.8-95.7000112.4W507 F558 I562 L614 D616 A619 A744 I745 A746 G750 T751 V752W507-F748 AromaticContact CH2-CE1 3.79Å; W507-F748 HydrophobicContact CH2-CE1 3.79Å; W507-F748 HydrophobicContact CZ3-CD1 4.31Å; W507-F748 AromaticContact CZ3-CE1 3.94Å; W507-F748 HydrophobicContact CZ3-CE1 3.94Å; F558-F748 AromaticContact CE2-CD1 3.79Å; F558-F748 HydrophobicContact CE2-CD1 3.79Å; F558-F748 AromaticContact CE2-CE1 3.4Å; F558-F748 HydrophobicContact CE2-CE1 3.4Å; F558-F748 AromaticContact CE2-CZ 3.97Å; F558-F748 HydrophobicContact CE2-CZ 3.97Å; F558-F748 AromaticContact CZ-CD1 3.84Å; F558-F748 HydrophobicContact CZ-CD1 3.84Å; F558-F748 HydrophobicContact CZ-CD2 4.43Å; F558-F748 AromaticContact CZ-CE1 3.53Å; F558-F748 HydrophobicContact CZ-CE1 3.53Å; F558-F748 HydrophobicContact CZ-CE2 4.15Å; F558-F748 HydrophobicContact CZ-CG 4.28Å; F558-F748 AromaticContact CZ-CZ 3.69Å; F558-F748 HydrophobicContact CZ-CZ 3.69Å; I562-F748 HydrophobicContact CD1-CE1 4.23Å; I562-F748 HydrophobicContact CD1-CZ 3.73Å; I562-F748 HydrophobicContact CG1-CZ 4.22Å; L614-F748 HydrophobicContact CB-CE2 4.28Å; D616-F748 HydrophobicContact CB-CE2 3.74Å; D616-F748 HydrophobicContact CB-CZ 4.3Å; A619-F748 HydrophobicContact CB-CB 3.69Å; A619-F748 HydrophobicContact CB-CD1 4.44Å; A619-F748 HydrophobicContact CB-CD2 4.16Å; A619-F748 HydrophobicContact CB-CG 3.82Å; A744-F748 VanDerWaalsContact O-CB 3.3Å; A744-F748 WeakPolarHBondContact O-CB 3.37Å; A744-F748 PolarHBondContact O-N 3.03Å; I745-F748 PolarHBondContact O-N 3.01Å; A746-F748 VanDerWaalsContact C-N 3.34Å; A746-F748 PolarHBondContact O-N 3.44Å; F748-G750 PolarHBondContact O-N 3.16Å; F748-T751 PolarHBondContact O-N 3.28Å; F748-T751 PolarHBondContact O-OG1 2.91Å; F748-V752 HydrophobicContact CD1-CG2 4.12Å; F748-V752 HydrophobicContact CD2-CG2 4.47Å; F748-V752 HydrophobicContact CE1-CG2 3.55Å; F748-V752 HydrophobicContact CE2-CG2 3.96Å; F748-V752 HydrophobicContact CZ-CG2 3.47Å; F748-V752 VanDerWaalsContact CZ-CG2 3.47Å; F748-V752 WeakPolarHBondContact O-CG2 3.47Å; F748-V752 PolarHBondContact O-N 2.9Å
749S95Very high94.5Very high0 Ų027.3 Ų27.30%017%0.172CC..Hα-helixtrans-59.1-36.2177.550.50000111.8N511 I745 A746 V752 V753N511-S749 WeakPolarHBondContact CA-OG 3.45Å; N511-S749 PolarHBondContact OD1-OG 3.22Å; I745-S749 PolarHBondContact O-N 3.49Å; I745-S749 PolarHBondContact O-OG 2.88Å; I745-S749 VanDerWaalsContact O-OG 3.05Å; A746-S749 WeakPolarHBondContact CA-OG 3.16Å; A746-S749 PolarHBondContact O-N 3.32Å; A746-S749 PolarHBondContact O-OG 2.74Å; S749-V752 PolarHBondContact O-N 3.14Å; S749-V753 VanDerWaalsContact O-CG2 3.31Å; S749-V753 WeakPolarHBondContact O-CG2 3.4Å; S749-V753 PolarHBondContact O-N 3.21Å
750G95.7Very high94.4Very high16 Ų1627.6 Ų27.617%0.16517%0.174CC..Hα-helixtrans-59.9-48.4172.600000112.1N511 A746 G747 F748 V752 V753 E754N511-G750 WeakPolarHBondContact OD1-CA 3.49Å; N511-G750 PolarHBondContact OD1-N 3.33Å; A746-G750 PolarHBondContact O-N 3.43Å; G747-G750 PolarHBondContact O-N 2.9Å; F748-G750 PolarHBondContact O-N 3.16Å; G750-V752 VanDerWaalsContact C-N 3.31Å; G750-V752 PolarHBondContact O-N 3.45Å; G750-V753 WeakPolarHBondContact O-CB 3.48Å; G750-V753 PolarHBondContact O-N 3.16Å; G750-E754 WeakPolarHBondContact O-CG 3.34Å; G750-E754 PolarHBondContact O-N 3.17Å
751T95.9Very high94.2Very high43 Ų4334.8 Ų34.826%0.26419%0.191SC..Hα-helixtrans-63.5-34.6177.362.80000113.3P615 G747 F748 A755P615-T751 WeakPolarHBondContact CD-OG1 3.42Å; P615-T751 HydrophobicContact CG-CG2 4.06Å; G747-T751 WeakPolarHBondContact O-CG2 3.34Å; G747-T751 PolarHBondContact O-N 3.21Å; G747-T751 VanDerWaalsContact O-N 3.07Å; F748-T751 PolarHBondContact O-N 3.28Å; F748-T751 PolarHBondContact O-OG1 2.91Å; T751-A755 VanDerWaalsContact O-CB 3.22Å; T751-A755 WeakPolarHBondContact O-CB 3.39Å; T751-A755 PolarHBondContact O-N 2.98Å
752V95.1Very high93.4Very high1 Ų141.4 Ų41.41%0.00622%0.215CC..Hα-helixtrans-66.5-42.9174.8177.90000110.8W507 L614 F748 S749 G750 A755 L756W507-V752 HydrophobicContact CB-CG1 4.13Å; W507-V752 HydrophobicContact CD2-CB 4.15Å; W507-V752 HydrophobicContact CD2-CG1 3.57Å; W507-V752 HydrophobicContact CE3-CB 4.22Å; W507-V752 HydrophobicContact CE3-CG1 4.15Å; W507-V752 HydrophobicContact CE3-CG2 4.48Å; W507-V752 HydrophobicContact CG-CB 4.36Å; W507-V752 HydrophobicContact CG-CG1 3.52Å; L614-V752 HydrophobicContact CD1-CG2 4Å; L614-V752 HydrophobicContact CD2-CB 4.38Å; L614-V752 HydrophobicContact CD2-CG2 3.85Å; F748-V752 HydrophobicContact CD1-CG2 4.12Å; F748-V752 HydrophobicContact CD2-CG2 4.47Å; F748-V752 HydrophobicContact CE1-CG2 3.55Å; F748-V752 HydrophobicContact CE2-CG2 3.96Å; F748-V752 HydrophobicContact CZ-CG2 3.47Å; F748-V752 VanDerWaalsContact CZ-CG2 3.47Å; F748-V752 WeakPolarHBondContact O-CG2 3.47Å; F748-V752 PolarHBondContact O-N 2.9Å; S749-V752 PolarHBondContact O-N 3.14Å; G750-V752 VanDerWaalsContact C-N 3.31Å; G750-V752 PolarHBondContact O-N 3.45Å; V752-A755 PolarHBondContact O-N 3.01Å; V752-L756 HydrophobicContact CG1-CD1 3.86Å; V752-L756 HydrophobicContact CG1-CG 4.28Å; V752-L756 WeakPolarHBondContact O-CB 3.2Å; V752-L756 WeakPolarHBondContact O-CG 3.43Å; V752-L756 PolarHBondContact O-N 2.92Å
753V95.8Very high92.5Very high23 Ų2341.4 Ų41.414%0.13922%0.216CC..Hα-helixtrans-60-49.5175.7169.10000110.7L504 W507 R508 N511 S749 G750 A755 L756 D757L504-V753 HydrophobicContact CD1-CG1 4.24Å; W507-V753 HydrophobicContact CB-CG2 3.91Å; W507-V753 WeakPolarHBondContact O-CG2 3.47Å; R508-V753 HydrophobicContact CB-CG2 4.35Å; R508-V753 HydrophobicContact CG-CB 4.36Å; R508-V753 HydrophobicContact CG-CG1 3.53Å; R508-V753 HydrophobicContact CG-CG2 3.85Å; N511-V753 HydrophobicContact CB-CG2 4.13Å; S749-V753 VanDerWaalsContact O-CG2 3.31Å; S749-V753 WeakPolarHBondContact O-CG2 3.4Å; S749-V753 PolarHBondContact O-N 3.21Å; G750-V753 WeakPolarHBondContact O-CB 3.48Å; G750-V753 PolarHBondContact O-N 3.16Å; V753-A755 VanDerWaalsContact C-N 3.34Å; V753-A755 PolarHBondContact O-N 3.04Å; V753-L756 PolarHBondContact O-N 2.86Å; V753-D757 WeakPolarHBondContact O-CB 3.35Å; V753-D757 PolarHBondContact O-N 2.79Å
754E95.2Very high90.9Very high132 Ų13238.6 Ų38.662%0.61722%0.218SC*.Hα-helixtrans-59-45.8178-71.5176.7-179.900111.7G750 D757 V758G750-E754 WeakPolarHBondContact O-CG 3.34Å; G750-E754 PolarHBondContact O-N 3.17Å; E754-D757 PolarHBondContact O-N 3.05Å; E754-V758 WeakPolarHBondContact O-CG2 3.35Å; E754-V758 PolarHBondContact O-N 3.01Å; E754-V758 VanDerWaalsContact O-N 3.12Å
755A94.5Very high89.1Confident23 Ų2340.8 Ų40.819%0.1923%0.231CC..Hα-helixtrans-62.8-47.6-179.700000112.1A610 L614 T751 V752 V753 V759A610-A755 HydrophobicContact CB-CB 4.14Å; L614-A755 HydrophobicContact CD2-CB 3.89Å; T751-A755 VanDerWaalsContact O-CB 3.22Å; T751-A755 WeakPolarHBondContact O-CB 3.39Å; T751-A755 PolarHBondContact O-N 2.98Å; V752-A755 PolarHBondContact O-N 3.01Å; V753-A755 VanDerWaalsContact C-N 3.34Å; V753-A755 PolarHBondContact O-N 3.04Å; A755-V759 WeakPolarHBondContact O-CG2 3.34Å; A755-V759 PolarHBondContact O-N 3.21Å
756L93.7Very high87.3Confident1 Ų141.5 Ų41.51%0.00524%0.236CC..Hα-helixtrans-71.8-32.2178.5-70.1178.3000112.6L503 L504 W507 V752 V753 V759 C760L503-L756 HydrophobicContact CB-CD1 4.19Å; L504-L756 HydrophobicContact CB-CB 4.16Å; L504-L756 HydrophobicContact CD1-CB 3.85Å; L504-L756 HydrophobicContact CG-CB 4.48Å; W507-L756 HydrophobicContact CG-CD1 4.48Å; V752-L756 HydrophobicContact CG1-CD1 3.86Å; V752-L756 HydrophobicContact CG1-CG 4.28Å; V752-L756 WeakPolarHBondContact O-CB 3.2Å; V752-L756 WeakPolarHBondContact O-CG 3.43Å; V752-L756 PolarHBondContact O-N 2.92Å; V753-L756 PolarHBondContact O-N 2.86Å; L756-V759 PolarHBondContact O-N 3.45Å; L756-C760 WeakPolarHBondContact O-CB 3.2Å; L756-C760 PolarHBondContact O-N 2.88Å; L756-C760 PolarHBondContact O-SG 3.02Å
757D93.6Very high84.9Confident27 Ų2752.1 Ų52.114%0.14427%0.274CS..Hα-helixtrans-64.9-40.8177.3-177.568.6000111.5L504 R508 V753 E754 V759 C760 R761L504-D757 HydrophobicContact CD1-CB 4.06Å; L504-D757 HydrophobicContact CD2-CB 4.42Å; R508-D757 IonicContact CZ-OD1 2.78Å; R508-D757 IonicContact NH2-OD1 3.55Å; R508-D757 PolarHBondContact NH2-OD1 3.39Å; V753-D757 WeakPolarHBondContact O-CB 3.35Å; V753-D757 PolarHBondContact O-N 2.79Å; E754-D757 PolarHBondContact O-N 3.05Å; D757-V759 VanDerWaalsContact C-N 3.32Å; D757-V759 PolarHBondContact O-N 2.88Å; D757-C760 PolarHBondContact O-N 3.17Å; D757-R761 VanDerWaalsContact O-CG 3.27Å; D757-R761 WeakPolarHBondContact O-CG 3.31Å; D757-R761 PolarHBondContact O-N 3.19Å; D757-R761 IonicContact OD1-NE 2.73Å; D757-R761 IonicContact OD2-CZ 3Å; D757-R761 IonicContact OD2-NE 2.71Å; D757-R761 PolarHBondContact OD2-NE 3.24Å; D757-R761 IonicContact OD2-NH1 3.56Å; D757-R761 IonicContact OD2-NH2 3.44Å; D757-R761 PolarHBondContact OD2-NH2 3.08Å
758V92.5Very high84.4Confident67 Ų6752.5 Ų52.541%0.40627%0.265SS..Hα-helixtrans-59.3-43.8172.7171.70000111.5E754E754-V758 WeakPolarHBondContact O-CG2 3.35Å; E754-V758 PolarHBondContact O-N 3.01Å; E754-V758 VanDerWaalsContact O-N 3.12Å
759V92.3Very high83.8Confident3 Ų354.9 Ų54.92%0.01828%0.277CS..Hα-helixtrans-65.8-47.7178.8174.90000110.8F603 E606 W607 A610 A755 L756 D757 R761 R762 A763F603-V759 HydrophobicContact CD2-CG1 3.97Å; F603-V759 HydrophobicContact CE2-CG1 3.56Å; F603-V759 HydrophobicContact CZ-CG1 4.26Å; E606-V759 HydrophobicContact CB-CG2 4.41Å; W607-V759 HydrophobicContact CB-CG1 3.87Å; W607-V759 HydrophobicContact CG-CG1 4.3Å; A610-V759 HydrophobicContact CB-CG2 3.66Å; A755-V759 WeakPolarHBondContact O-CG2 3.34Å; A755-V759 PolarHBondContact O-N 3.21Å; L756-V759 PolarHBondContact O-N 3.45Å; D757-V759 VanDerWaalsContact C-N 3.32Å; D757-V759 PolarHBondContact O-N 2.88Å; V759-R761 PolarHBondContact O-N 3.05Å; V759-R762 PolarHBondContact O-N 3.48Å; V759-A763 PolarHBondContact O-N 3.39Å
760C90.2Very high83.1Confident6 Ų657.9 Ų57.94%0.04129%0.293CS..Hα-helixtrans-66.1-33.4-179.5-76.50000113.6C500 F501 L504 L756 D757 R762 A763C500-C760 PolarHBondContact SG-SG 3.23Å; F501-C760 HydrophobicContact CD1-CB 4.24Å; F501-C760 HydrophobicContact CE1-CB 3.78Å; F501-C760 HydrophobicContact CZ-CB 3.94Å; L504-C760 HydrophobicContact CD2-CB 3.6Å; L504-C760 VanDerWaalsContact CD2-SG 3.55Å; L756-C760 WeakPolarHBondContact O-CB 3.2Å; L756-C760 PolarHBondContact O-N 2.88Å; L756-C760 PolarHBondContact O-SG 3.02Å; D757-C760 PolarHBondContact O-N 3.17Å; C760-R762 VanDerWaalsContact C-N 3.25Å; C760-R762 PolarHBondContact O-N 3.21Å; C760-A763 WeakPolarHBondContact O-CB 3.45Å; C760-A763 PolarHBondContact O-N 2.95Å
761R87.7Confident82.4Confident184 Ų18460.4 Ų60.469%0.69430%0.3SS*.Hα-helixtrans-63.4-32.8174.7-75.3176.3-165.8172.51.5112.2D757 V759D757-R761 VanDerWaalsContact O-CG 3.27Å; D757-R761 WeakPolarHBondContact O-CG 3.31Å; D757-R761 PolarHBondContact O-N 3.19Å; D757-R761 IonicContact OD1-NE 2.73Å; D757-R761 IonicContact OD2-CZ 3Å; D757-R761 IonicContact OD2-NE 2.71Å; D757-R761 PolarHBondContact OD2-NE 3.24Å; D757-R761 IonicContact OD2-NH1 3.56Å; D757-R761 IonicContact OD2-NH2 3.44Å; D757-R761 PolarHBondContact OD2-NH2 3.08Å; V759-R761 PolarHBondContact O-N 3.05Å
762R79.5Confident81.6Confident143 Ų14361.5 Ų61.554%0.5430%0.302SS..Hα-helixtrans-85.7-21179-64.7178.1-178.9-171.34.5112.9E606 V759 C760 G764 S765E606-R762 VanDerWaalsContact CD-CD 3.48Å; E606-R762 VanDerWaalsContact OE1-CD 3.23Å; E606-R762 WeakPolarHBondContact OE1-CD 3.35Å; E606-R762 IonicContact OE1-CZ 2.59Å; E606-R762 IonicContact OE1-NE 3.8Å; E606-R762 IonicContact OE1-NH1 2.9Å; E606-R762 PolarHBondContact OE1-NH1 3.31Å; E606-R762 WeakPolarHBondContact OE2-CB 3.48Å; E606-R762 WeakPolarHBondContact OE2-CD 3.48Å; E606-R762 IonicContact OE2-NH1 3.81Å; V759-R762 PolarHBondContact O-N 3.48Å; C760-R762 VanDerWaalsContact C-N 3.25Å; C760-R762 PolarHBondContact O-N 3.21Å; R762-G764 PolarHBondContact O-N 3.04Å; R762-S765 PolarHBondContact O-N 3.27Å
763A74.1Confident80.7Confident1 Ų165.5 Ų65.51%0.00832%0.322CS..G310 helixtrans-59.9-12.8173.100000114V497 F501 F603 V759 C760 S765 V766V497-A763 HydrophobicContact CG1-CB 4.44Å; F501-A763 HydrophobicContact CE2-CB 4.36Å; F603-A763 HydrophobicContact CD2-CB 3.73Å; F603-A763 HydrophobicContact CE2-CB 3.5Å; F603-A763 HydrophobicContact CZ-CB 4.46Å; V759-A763 PolarHBondContact O-N 3.39Å; C760-A763 WeakPolarHBondContact O-CB 3.45Å; C760-A763 PolarHBondContact O-N 2.95Å; A763-S765 PolarHBondContact O-N 3.36Å; A763-S765 VanDerWaalsContact O-N 3.1Å; A763-V766 PolarHBondContact O-N 3.28Å
764G61.9Low79.6Confident56 Ų5668.6 Ų68.658%0.57734%0.335SS*.G310 helixtrans-57.4-17.7171.200000114.2R762R762-G764 PolarHBondContact O-N 3.04Å
765S57.4Low78.4Confident65 Ų6563.7 Ų63.746%0.45531%0.314SS..G310 helixtrans-79.9-17.2171.9-150.70000113.6E599 R762 A763E599-S765 VanDerWaalsContact OE1-O 3.1Å; E599-S765 PolarHBondContact OE1-OG 3.44Å; R762-S765 PolarHBondContact O-N 3.27Å; A763-S765 PolarHBondContact O-N 3.36Å; A763-S765 VanDerWaalsContact O-N 3.1Å
766V55.8Low77Confident21 Ų2167.1 Ų67.113%0.12732%0.324CS..THydrogen-bonded Turntrans-95.6-13.1-173-172.90000112.2A493 V497 E599 L600 F603 A763A493-V766 HydrophobicContact CB-CG1 4.45Å; V497-V766 HydrophobicContact CG2-CB 4.05Å; V497-V766 HydrophobicContact CG2-CG1 3.8Å; E599-V766 HydrophobicContact CB-CG2 4.05Å; L600-V766 HydrophobicContact CD1-CG1 4.24Å; F603-V766 HydrophobicContact CB-CG2 3.88Å; F603-V766 HydrophobicContact CG-CG2 4.29Å; A763-V766 PolarHBondContact O-N 3.28Å
767R45.6Very low75.5Confident231 Ų23173.1 Ų73.187%0.87235%0.353SS*.  trans-90.70173.1-74.9-173.8179161.11.4110.4

Retrieved 767 of 767 residues in 1470.8 ms (Link to these results)

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