A0A096MLB2_PAPAN Loading...

Zyg-11 family member B, cell cycle regulator

AlphaFold DB (Q9C0D3), UniProt , Accession A0A096MLB2, Species PAPAN (Papio anubis, Olive baboon), Gene ZYG11B, Length 744 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
1M38.7Very low45.8Very low170 Ų17093.8 Ų93.884%0.83752%0.515SS*.  0135.40-67.5-153.6-65.500107.5A6M1-A6 HydrophobicContact CE-CB 3.84Å
2P34.9Very low47.3Very low82 Ų8288.1 Ų88.153%0.53248%0.482SS..  trans-57.4141.9165.8-14.828.9000109.3D4 Q5 A6P2-D4 PolarHBondContact O-N 3.17Å; P2-D4 VanDerWaalsContact O-N 3.1Å; P2-Q5 VanDerWaalsContact CD-OE1 3.3Å; P2-Q5 PolarHBondContact O-N 3.2Å; P2-A6 PolarHBondContact O-N 2.75Å
3E39.3Very low48.7Very low180 Ų18087 Ų8784%0.84149%0.492SS*.Hα-helixtrans-52.8-34.7-173-69.4179.9156.900113.3Q5 A6 G7E3-Q5 VanDerWaalsContact C-N 3.35Å; E3-Q5 PolarHBondContact O-N 2.69Å; E3-A6 PolarHBondContact O-N 3.39Å; E3-G7 PolarHBondContact O-N 3.07Å; E3-G7 VanDerWaalsContact O-N 3.09Å
4D46.6Very low50.1Low148 Ų14884.3 Ų84.379%0.79148%0.481SS*.Hα-helixtrans-61.9-36.3176.7-73.1-18.5000113.4P2 A8P2-D4 PolarHBondContact O-N 3.17Å; P2-D4 VanDerWaalsContact O-N 3.1Å; D4-A8 PolarHBondContact O-N 2.83Å
5Q42.8Very low51.8Low74 Ų7485.6 Ų85.635%0.34649%0.494SS..Hα-helixtrans-75.2-37179.6-68.7-178.6-800111.7P2 E3 G7 A9P2-Q5 VanDerWaalsContact CD-OE1 3.3Å; P2-Q5 PolarHBondContact O-N 3.2Å; E3-Q5 VanDerWaalsContact C-N 3.35Å; E3-Q5 PolarHBondContact O-N 2.69Å; Q5-G7 VanDerWaalsContact C-N 3.34Å; Q5-A9 PolarHBondContact O-N 3.03Å
6A45.6Very low53.6Low40 Ų4086.5 Ų86.533%0.33149%0.488SS..Hα-helixtrans-65.1-39.4175.500000111.6M1 P2 E3 M10M1-A6 HydrophobicContact CE-CB 3.84Å; P2-A6 PolarHBondContact O-N 2.75Å; E3-A6 PolarHBondContact O-N 3.39Å; A6-M10 VanDerWaalsContact O-CB 3.31Å; A6-M10 WeakPolarHBondContact O-CB 3.28Å; A6-M10 PolarHBondContact O-N 3.39Å; A6-M10 VanDerWaalsContact O-N 3.07Å
7G44.9Very low55.7Low35 Ų3584.3 Ų84.336%0.36148%0.479SS..Hα-helixtrans-62.8-45.8178.800000113.5E3 Q5 M10 E11E3-G7 PolarHBondContact O-N 3.07Å; E3-G7 VanDerWaalsContact O-N 3.09Å; Q5-G7 VanDerWaalsContact C-N 3.34Å; G7-M10 PolarHBondContact O-N 2.94Å; G7-E11 WeakPolarHBondContact O-CB 3.28Å; G7-E11 PolarHBondContact O-N 2.91Å
8A50.1Low57.8Low23 Ų2386.9 Ų86.919%0.1949%0.491CS..Hα-helixtrans-66.1-42.8-179.700000112.8D4 M10 E11 E12D4-A8 PolarHBondContact O-N 2.83Å; A8-M10 VanDerWaalsContact C-N 3.31Å; A8-M10 PolarHBondContact O-N 3.03Å; A8-E11 PolarHBondContact O-N 3Å; A8-E12 PolarHBondContact O-N 3.43Å
9A51.3Low59.6Low26 Ų2685.6 Ų85.622%0.21548%0.482CS..Hα-helixtrans-63.4-38.3175.300000111.8Q5 A13 P360Q5-A9 PolarHBondContact O-N 3.03Å; A9-A13 VanDerWaalsContact O-CB 3.3Å; A9-A13 WeakPolarHBondContact O-CB 3.19Å; A9-A13 PolarHBondContact O-N 3.3Å; A9-A13 VanDerWaalsContact O-N 3.08Å; A9-P360 HydrophobicContact CB-CG 4.29Å
10M50.7Low61.1Low133 Ų13383 Ų8366%0.65547%0.467SS*.Hα-helixtrans-70.9-36.1178.1-165.6174.773.600112.7A6 G7 A8 A13 S14A6-M10 VanDerWaalsContact O-CB 3.31Å; A6-M10 WeakPolarHBondContact O-CB 3.28Å; A6-M10 PolarHBondContact O-N 3.39Å; A6-M10 VanDerWaalsContact O-N 3.07Å; G7-M10 PolarHBondContact O-N 2.94Å; A8-M10 VanDerWaalsContact C-N 3.31Å; A8-M10 PolarHBondContact O-N 3.03Å; M10-A13 PolarHBondContact O-N 3.28Å; M10-S14 WeakPolarHBondContact O-CB 3.32Å; M10-S14 PolarHBondContact O-N 3.13Å; M10-S14 PolarHBondContact O-OG 3.11Å
11E58.7Low62.6Low121 Ų12183 Ų8357%0.56547%0.465SS*.Hα-helixtrans-62.2-48.4174.8-172.6-173.9-160.400111.3G7 A8 A13 S14 K364G7-E11 WeakPolarHBondContact O-CB 3.28Å; G7-E11 PolarHBondContact O-N 2.91Å; A8-E11 PolarHBondContact O-N 3Å; E11-A13 VanDerWaalsContact C-N 3.3Å; E11-A13 PolarHBondContact O-N 3.24Å; E11-S14 WeakPolarHBondContact O-CB 3.44Å; E11-S14 PolarHBondContact O-N 3.07Å; E11-S14 VanDerWaalsContact O-N 3.16Å; E11-K364 IonicContact OE2-NZ 2.77Å; E11-K364 PolarHBondContact OE2-NZ 3.33Å
12E63.3Low65.2Low25 Ų2578.3 Ų78.312%0.11745%0.448CS..Hα-helixtrans-71.6-23.7179.5-64.2-60.4156.400113.1A8 K364 P400 R402A8-E12 PolarHBondContact O-N 3.43Å; E12-K364 HydrophobicContact CG-CD 4.47Å; E12-K364 WeakPolarHBondContact OE1-CE 3.27Å; E12-K364 IonicContact OE1-NZ 3.88Å; E12-K364 PolarHBondContact OE1-NZ 3.39Å; E12-P400 HydrophobicContact CB-CB 3.73Å; E12-P400 HydrophobicContact CB-CG 3.81Å; E12-R402 WeakPolarHBondContact O-CD 3.33Å
13A65.5Low68Low74 Ų7474.6 Ų74.661%0.61242%0.424SS*.Hα-helixtrans-80.1-19.5172.400000112.9A9 M10 E11A9-A13 VanDerWaalsContact O-CB 3.3Å; A9-A13 WeakPolarHBondContact O-CB 3.19Å; A9-A13 PolarHBondContact O-N 3.3Å; A9-A13 VanDerWaalsContact O-N 3.08Å; M10-A13 PolarHBondContact O-N 3.28Å; E11-A13 VanDerWaalsContact C-N 3.3Å; E11-A13 PolarHBondContact O-N 3.24Å
14S69.5Low70.5Confident49 Ų4968.4 Ų68.434%0.34340%0.396SS..SBendtrans-83.4149.6-178.5-65.20000111.7M10 E11 R402M10-S14 WeakPolarHBondContact O-CB 3.32Å; M10-S14 PolarHBondContact O-N 3.13Å; M10-S14 PolarHBondContact O-OG 3.11Å; E11-S14 WeakPolarHBondContact O-CB 3.44Å; E11-S14 PolarHBondContact O-N 3.07Å; E11-S14 VanDerWaalsContact O-N 3.16Å; S14-R402 WeakPolarHBondContact O-CD 3.45Å; S14-R402 PolarHBondContact O-NE 2.9Å; S14-R402 PolarHBondContact O-NH1 3.37Å
15P74.2Confident72.8Confident104 Ų10466.7 Ų66.768%0.67538%0.382SS*.PPolyproline II helixtrans-59.5159168.426.7-33.5000111.5R402P15-R402 VanDerWaalsContact CA-NH2 3.34Å
16Y81.9Confident75.1Confident100 Ų10064.1 Ų64.139%0.39237%0.371SS..PPolyproline II helixtrans-66.8149179.3-75.7-59.6000106.2L18 I21 R402Y16-L18 PolarHBondContact O-N 2.92Å; Y16-I21 WeakPolarHBondContact O-CD1 3.48Å; Y16-R402 VanDerWaalsContact CD1-NH1 3.29Å; Y16-R402 VanDerWaalsContact CG-NH1 3.29Å
17S88.9Confident77.4Confident49 Ų4962.5 Ų62.534%0.34336%0.356SS..PPolyproline II helixtrans-54.9145.1174.475.80000109.2L19 D20 I21S17-L19 PolarHBondContact O-N 2.76Å; S17-L19 VanDerWaalsContact O-N 3.1Å; S17-D20 PolarHBondContact O-N 3.15Å; S17-D20 PolarHBondContact OG-N 3.11Å; S17-D20 VanDerWaalsContact OG-N 3.09Å; S17-D20 PolarHBondContact OG-OD2 2.78Å; S17-I21 WeakPolarHBondContact O-CG1 3.36Å; S17-I21 PolarHBondContact O-N 3.46Å
18L92.5Very high79.7Confident131 Ų13165.3 Ų65.369%0.68637%0.367SS*.Hα-helixtrans-52.3-36.9176.7178.160.8000110.8Y16 I21 C22Y16-L18 PolarHBondContact O-N 2.92Å; L18-I21 PolarHBondContact O-N 3.09Å; L18-C22 WeakPolarHBondContact O-CB 3.37Å; L18-C22 PolarHBondContact O-N 3.37Å; L18-C22 PolarHBondContact O-SG 3.3Å
19L92.9Very high81.7Confident63 Ų6366.2 Ų66.233%0.3337%0.367SS..Hα-helixtrans-58.7-49174.2179.760.1000112.3S17 I21 C22 L23 V54S17-L19 PolarHBondContact O-N 2.76Å; S17-L19 VanDerWaalsContact O-N 3.1Å; L19-I21 VanDerWaalsContact C-N 3.34Å; L19-I21 PolarHBondContact O-N 2.79Å; L19-C22 PolarHBondContact O-N 2.9Å; L19-L23 HydrophobicContact CD1-CD1 4.03Å; L19-L23 HydrophobicContact CD1-CG 4.01Å; L19-L23 HydrophobicContact CG-CD1 4.02Å; L19-L23 HydrophobicContact CG-CG 4.37Å; L19-L23 WeakPolarHBondContact O-CB 3.31Å; L19-L23 VanDerWaalsContact O-CG 3.26Å; L19-L23 WeakPolarHBondContact O-CG 3.28Å; L19-L23 PolarHBondContact O-N 3.32Å; L19-V54 HydrophobicContact CD1-CG1 4.14Å; L19-V54 HydrophobicContact CD1-CG2 4.2Å
20D90.5Very high83.7Confident33 Ų3365.6 Ų65.618%0.17636%0.36CS..Hα-helixtrans-65-38.7178.4-66.6-45.6000112.2S17 C22 L23 N24 R57S17-D20 PolarHBondContact O-N 3.15Å; S17-D20 PolarHBondContact OG-N 3.11Å; S17-D20 VanDerWaalsContact OG-N 3.09Å; S17-D20 PolarHBondContact OG-OD2 2.78Å; D20-C22 VanDerWaalsContact C-N 3.34Å; D20-L23 PolarHBondContact O-N 3.37Å; D20-N24 VanDerWaalsContact O-CB 3.24Å; D20-N24 WeakPolarHBondContact O-CB 3.24Å; D20-N24 VanDerWaalsContact O-CG 3.25Å; D20-N24 PolarHBondContact O-N 3.21Å; D20-N24 PolarHBondContact O-ND2 3.25Å; D20-N24 VanDerWaalsContact O-ND2 3.13Å; D20-R57 IonicContact OD1-CZ 3.55Å; D20-R57 IonicContact OD1-NE 2.83Å; D20-R57 PolarHBondContact OD1-NE 2.8Å; D20-R57 IonicContact OD1-NH2 3.38Å; D20-R57 PolarHBondContact OD1-NH2 2.97Å; D20-R57 IonicContact OD2-CZ 2.76Å; D20-R57 IonicContact OD2-NH2 3.97Å; D20-R57 PolarHBondContact OD2-NH2 3.28Å
21I91.7Very high85.6Confident83 Ų8365.2 Ų65.243%0.42636%0.357SS..Hα-helixtrans-60.9-47.5175.2-62.9172.8000109.6Y16 S17 L18 L19 F25Y16-I21 WeakPolarHBondContact O-CD1 3.48Å; S17-I21 WeakPolarHBondContact O-CG1 3.36Å; S17-I21 PolarHBondContact O-N 3.46Å; L18-I21 PolarHBondContact O-N 3.09Å; L19-I21 VanDerWaalsContact C-N 3.34Å; L19-I21 PolarHBondContact O-N 2.79Å; I21-F25 VanDerWaalsContact O-CB 3.31Å; I21-F25 WeakPolarHBondContact O-CB 3.43Å; I21-F25 PolarHBondContact O-N 3.3Å
22C93.6Very high87.2Confident71 Ų7165.4 Ų65.448%0.4836%0.356SS..Hα-helixtrans-64.4-42.8178-70.60000112.5L18 L19 D20 F25 L26L18-C22 WeakPolarHBondContact O-CB 3.37Å; L18-C22 PolarHBondContact O-N 3.37Å; L18-C22 PolarHBondContact O-SG 3.3Å; L19-C22 PolarHBondContact O-N 2.9Å; D20-C22 VanDerWaalsContact C-N 3.34Å; C22-F25 PolarHBondContact O-N 2.94Å; C22-L26 VanDerWaalsContact O-CB 3.3Å; C22-L26 WeakPolarHBondContact O-CB 3.18Å; C22-L26 PolarHBondContact O-N 2.89Å
23L93.8Very high88.5Confident5 Ų568 Ų683%0.02637%0.367CS..Hα-helixtrans-65.9-44.9177.9-70.6178.9000111.2L19 D20 F25 L26 T27 V54 R57 L58 T61L19-L23 HydrophobicContact CD1-CD1 4.03Å; L19-L23 HydrophobicContact CD1-CG 4.01Å; L19-L23 HydrophobicContact CG-CD1 4.02Å; L19-L23 HydrophobicContact CG-CG 4.37Å; L19-L23 WeakPolarHBondContact O-CB 3.31Å; L19-L23 VanDerWaalsContact O-CG 3.26Å; L19-L23 WeakPolarHBondContact O-CG 3.28Å; L19-L23 PolarHBondContact O-N 3.32Å; D20-L23 PolarHBondContact O-N 3.37Å; L23-F25 PolarHBondContact O-N 2.77Å; L23-L26 PolarHBondContact O-N 3.01Å; L23-T27 WeakPolarHBondContact O-CG2 3.49Å; L23-T27 PolarHBondContact O-N 3.08Å; L23-T27 PolarHBondContact O-OG1 3.18Å; L23-T27 VanDerWaalsContact O-OG1 3.1Å; L23-V54 HydrophobicContact CD2-CG1 4.24Å; L23-R57 HydrophobicContact CD1-CB 3.93Å; L23-R57 HydrophobicContact CD1-CG 3.57Å; L23-L58 HydrophobicContact CD2-CB 3.93Å; L23-L58 HydrophobicContact CD2-CD1 3.97Å; L23-L58 HydrophobicContact CD2-CG 4.47Å; L23-T61 HydrophobicContact CB-CG2 4.46Å
24N91.5Very high89.8Confident49 Ų4964.9 Ų64.926%0.26234%0.34SS..Hα-helixtrans-59.4-48.3174.8-76.7-35000110.6D20 L26 T27 T28 H65D20-N24 VanDerWaalsContact O-CB 3.24Å; D20-N24 WeakPolarHBondContact O-CB 3.24Å; D20-N24 VanDerWaalsContact O-CG 3.25Å; D20-N24 PolarHBondContact O-N 3.21Å; D20-N24 PolarHBondContact O-ND2 3.25Å; D20-N24 VanDerWaalsContact O-ND2 3.13Å; N24-L26 VanDerWaalsContact C-N 3.32Å; N24-L26 PolarHBondContact O-N 3.11Å; N24-T27 WeakPolarHBondContact CA-OG1 3.35Å; N24-T27 PolarHBondContact O-N 3.1Å; N24-T27 VanDerWaalsContact O-N 3.16Å; N24-T27 PolarHBondContact O-OG1 3.46Å; N24-T28 PolarHBondContact O-N 2.87Å; N24-T28 PolarHBondContact O-OG1 3.28Å; N24-H65 PolarHBondContact OD1-NE2 2.96Å
25F93.8Very high90.9Very high112 Ų11265.2 Ų65.249%0.49134%0.342SS..Hα-helixtrans-58.7-42.8177.5-172.8-91.2000112.6I21 C22 L23 H29 F33I21-F25 VanDerWaalsContact O-CB 3.31Å; I21-F25 WeakPolarHBondContact O-CB 3.43Å; I21-F25 PolarHBondContact O-N 3.3Å; C22-F25 PolarHBondContact O-N 2.94Å; L23-F25 PolarHBondContact O-N 2.77Å; F25-H29 AromaticContact CD2-CE1 3.82Å; F25-H29 AromaticContact CD2-ND1 3.77Å; F25-H29 AromaticContact CE1-ND1 3.95Å; F25-H29 AromaticContact CE2-CE1 3.51Å; F25-H29 AromaticContact CE2-ND1 3.66Å; F25-H29 AromaticContact CG-ND1 3.98Å; F25-H29 AromaticContact CZ-CE1 3.9Å; F25-H29 AromaticContact CZ-ND1 3.76Å; F25-H29 PolarHBondContact O-N 3.27Å; F25-H29 PolarHBondContact O-ND1 2.65Å; F25-F33 HydrophobicContact CD1-CE2 4.1Å; F25-F33 HydrophobicContact CD1-CZ 4.22Å; F25-F33 AromaticContact CE1-CE2 3.93Å; F25-F33 HydrophobicContact CE1-CE2 3.93Å; F25-F33 AromaticContact CE1-CZ 3.87Å; F25-F33 HydrophobicContact CE1-CZ 3.87Å
26L92.8Very high91.8Very high21 Ų2163.7 Ų63.711%0.1134%0.339CS..Hα-helixtrans-61.8-47174.9175.561.1000111.2C22 L23 N24 T28 H29 L30 F33 L44 L58C22-L26 VanDerWaalsContact O-CB 3.3Å; C22-L26 WeakPolarHBondContact O-CB 3.18Å; C22-L26 PolarHBondContact O-N 2.89Å; L23-L26 PolarHBondContact O-N 3.01Å; N24-L26 VanDerWaalsContact C-N 3.32Å; N24-L26 PolarHBondContact O-N 3.11Å; L26-T28 PolarHBondContact O-N 2.95Å; L26-H29 CarbonylContact O-C 3.39Å; L26-H29 PolarHBondContact O-N 3.25Å; L26-L30 HydrophobicContact CG-CD2 4.48Å; L26-L30 PolarHBondContact O-N 3Å; L26-L30 VanDerWaalsContact O-N 3.11Å; L26-F33 HydrophobicContact CD1-CB 3.59Å; L26-F33 HydrophobicContact CD1-CD1 4.4Å; L26-F33 HydrophobicContact CD1-CD2 3.45Å; L26-F33 VanDerWaalsContact CD1-CD2 3.45Å; L26-F33 HydrophobicContact CD1-CE2 4.22Å; L26-F33 HydrophobicContact CD1-CG 3.55Å; L26-L44 HydrophobicContact CD1-CD2 4.17Å; L26-L58 HydrophobicContact CD2-CD1 3.95Å; L26-L58 HydrophobicContact CD2-CD2 4.14Å
27T94Very high92.3Very high5 Ų563.7 Ų63.73%0.03134%0.338CS..Hα-helixtrans-68.1-32.5-179.254.60000113.6L23 N24 H29 L58 T61 M62 L67L23-T27 WeakPolarHBondContact O-CG2 3.49Å; L23-T27 PolarHBondContact O-N 3.08Å; L23-T27 PolarHBondContact O-OG1 3.18Å; L23-T27 VanDerWaalsContact O-OG1 3.1Å; N24-T27 WeakPolarHBondContact CA-OG1 3.35Å; N24-T27 PolarHBondContact O-N 3.1Å; N24-T27 VanDerWaalsContact O-N 3.16Å; N24-T27 PolarHBondContact O-OG1 3.46Å; T27-H29 VanDerWaalsContact C-N 3.27Å; T27-H29 PolarHBondContact O-N 2.81Å; T27-L58 HydrophobicContact CG2-CD1 3.77Å; T27-T61 HydrophobicContact CG2-CG2 4.01Å; T27-M62 HydrophobicContact CG2-CG 3.57Å; T27-L67 HydrophobicContact CG2-CD1 4.38Å; T27-L67 WeakPolarHBondContact O-CD1 3.42Å
28T91.7Very high92.5Very high95 Ų9571.5 Ų71.558%0.58337%0.369SS*.Hα-helixtrans-72.4-21.7175.4-55.40000112.5N24 L26N24-T28 PolarHBondContact O-N 2.87Å; N24-T28 PolarHBondContact O-OG1 3.28Å; L26-T28 PolarHBondContact O-N 2.95Å
29H93.6Very high92.5Very high42 Ų4269.2 Ų69.219%0.19436%0.358CS..THydrogen-bonded Turntrans-128.937.2-173.8-58.1104.4000112.8F25 L26 T27 E31 K32 F33F25-H29 AromaticContact CD2-CE1 3.82Å; F25-H29 AromaticContact CD2-ND1 3.77Å; F25-H29 AromaticContact CE1-ND1 3.95Å; F25-H29 AromaticContact CE2-CE1 3.51Å; F25-H29 AromaticContact CE2-ND1 3.66Å; F25-H29 AromaticContact CG-ND1 3.98Å; F25-H29 AromaticContact CZ-CE1 3.9Å; F25-H29 AromaticContact CZ-ND1 3.76Å; F25-H29 PolarHBondContact O-N 3.27Å; F25-H29 PolarHBondContact O-ND1 2.65Å; L26-H29 CarbonylContact O-C 3.39Å; L26-H29 PolarHBondContact O-N 3.25Å; T27-H29 VanDerWaalsContact C-N 3.27Å; T27-H29 PolarHBondContact O-N 2.81Å; H29-E31 VanDerWaalsContact C-OE2 3.29Å; H29-E31 WeakPolarHBondContact CA-OE1 3.46Å; H29-E31 PolarHBondContact O-N 2.89Å; H29-E31 VanDerWaalsContact O-N 3.11Å; H29-K32 HydrophobicContact CB-CB 4.4Å; H29-K32 HydrophobicContact CB-CD 4.02Å; H29-K32 HydrophobicContact CB-CG 4.23Å; H29-K32 PolarHBondContact CD2-NZ 3.19Å; H29-K32 VanDerWaalsContact CD2-NZ 3.34Å; H29-K32 WeakPolarHBondContact O-CB 3.38Å; H29-K32 PolarHBondContact O-N 2.94Å; H29-F33 HydrophobicContact CB-CD2 4.37Å; H29-F33 HydrophobicContact CB-CE2 4.1Å; H29-F33 VanDerWaalsContact O-CD2 3.26Å; H29-F33 WeakPolarHBondContact O-CD2 3.32Å
30L92.6Very high92.5Very high12 Ų1268.5 Ų68.56%0.06337%0.366CS..Hα-helixtrans-53.5-35.8-176.1-73.1172.1000112.2L26 K32 F33 C34 M62 L67 T72 I75L26-L30 HydrophobicContact CG-CD2 4.48Å; L26-L30 PolarHBondContact O-N 3Å; L26-L30 VanDerWaalsContact O-N 3.11Å; L30-K32 PolarHBondContact O-N 3.02Å; L30-F33 PolarHBondContact O-N 3.16Å; L30-F33 VanDerWaalsContact O-N 3.12Å; L30-C34 WeakPolarHBondContact O-CB 3.25Å; L30-C34 PolarHBondContact O-N 3.43Å; L30-C34 PolarHBondContact O-SG 3Å; L30-M62 HydrophobicContact CD1-CE 3.89Å; L30-L67 HydrophobicContact CD1-CD1 4.22Å; L30-T72 HydrophobicContact CD1-CG2 4.5Å; L30-I75 HydrophobicContact CD2-CD1 3.97Å
31E90.5Very high92.7Very high126 Ų12667.3 Ų67.359%0.58936%0.359SS*.Hα-helixtrans-61.5-25.4177.570.7-69.7161.700114H29H29-E31 VanDerWaalsContact C-OE2 3.29Å; H29-E31 WeakPolarHBondContact CA-OE1 3.46Å; H29-E31 PolarHBondContact O-N 2.89Å; H29-E31 VanDerWaalsContact O-N 3.11Å
32K91.6Very high92.8Very high125 Ų12565.1 Ų65.154%0.54335%0.348SS..Hα-helixtrans-79.9-27.4175.7-62.7-175-173.9165.90112.7H29 L30H29-K32 HydrophobicContact CB-CB 4.4Å; H29-K32 HydrophobicContact CB-CD 4.02Å; H29-K32 HydrophobicContact CB-CG 4.23Å; H29-K32 PolarHBondContact CD2-NZ 3.19Å; H29-K32 VanDerWaalsContact CD2-NZ 3.34Å; H29-K32 WeakPolarHBondContact O-CB 3.38Å; H29-K32 PolarHBondContact O-N 2.94Å; L30-K32 PolarHBondContact O-N 3.02Å
33F91.6Very high92.7Very high80 Ų8062.6 Ų62.635%0.35133%0.332SS..Hα-helixtrans-108.5-12.7-172.1-63-73.5000113.6F25 L26 H29 L30 L44 Q45F25-F33 HydrophobicContact CD1-CE2 4.1Å; F25-F33 HydrophobicContact CD1-CZ 4.22Å; F25-F33 AromaticContact CE1-CE2 3.93Å; F25-F33 HydrophobicContact CE1-CE2 3.93Å; F25-F33 AromaticContact CE1-CZ 3.87Å; F25-F33 HydrophobicContact CE1-CZ 3.87Å; L26-F33 HydrophobicContact CD1-CB 3.59Å; L26-F33 HydrophobicContact CD1-CD1 4.4Å; L26-F33 HydrophobicContact CD1-CD2 3.45Å; L26-F33 VanDerWaalsContact CD1-CD2 3.45Å; L26-F33 HydrophobicContact CD1-CE2 4.22Å; L26-F33 HydrophobicContact CD1-CG 3.55Å; H29-F33 HydrophobicContact CB-CD2 4.37Å; H29-F33 HydrophobicContact CB-CE2 4.1Å; H29-F33 VanDerWaalsContact O-CD2 3.26Å; H29-F33 WeakPolarHBondContact O-CD2 3.32Å; L30-F33 PolarHBondContact O-N 3.16Å; L30-F33 VanDerWaalsContact O-N 3.12Å; F33-L44 HydrophobicContact CB-CD2 4.13Å; F33-Q45 WeakPolarHBondContact O-CG 3.28Å; F33-Q45 PolarHBondContact O-N 3.05Å
34C93.2Very high92.6Very high8 Ų862.9 Ų62.95%0.05433%0.333CS..EExtended strand (participates in β ladder)trans-111.6152.6-178.2-58.70000111.8L30 L42 C43 Q45L30-C34 WeakPolarHBondContact O-CB 3.25Å; L30-C34 PolarHBondContact O-N 3.43Å; L30-C34 PolarHBondContact O-SG 3Å; C34-L42 HydrophobicContact CB-CB 4.08Å; C34-L42 HydrophobicContact CB-CD1 4.32Å; C34-L42 HydrophobicContact CB-CD2 4.21Å; C34-L42 HydrophobicContact CB-CG 4.44Å; C34-C43 CarbonylContact C-O 3.42Å; C34-C43 WeakPolarHBondContact CA-O 3.23Å; C34-C43 WeakPolarHBondContact CB-O 3.29Å; C34-Q45 PolarHBondContact O-NE2 2.69Å
35S92.9Very high92.4Very high55 Ų5566.4 Ų66.439%0.38535%0.348SS..EExtended strand (participates in β ladder)trans-114.2149.1163.858.40000109.6L42 C43S35-L42 CarbonylContact O-C 3.51Å; S35-L42 WeakPolarHBondContact O-CA 3.38Å; S35-C43 PolarHBondContact N-O 2.82Å; S35-C43 PolarHBondContact O-N 3.02Å
36A93Very high91.7Very high73 Ų7366.4 Ų66.460%0.60335%0.349SS*.EExtended strand (participates in β ladder)trans-80.8131.4172.900000110
37R92.4Very high90.8Very high100 Ų10070.5 Ų70.538%0.37738%0.377SS..  trans-70.8169.2166.6-62.2-177-167.8-101.80.7109.8D39 G40 T41 C43R37-D39 WeakPolarHBondContact CB-OD1 3.32Å; R37-D39 PolarHBondContact O-N 3.5Å; R37-D39 VanDerWaalsContact O-N 3.13Å; R37-G40 PolarHBondContact O-N 3.46Å; R37-T41 WeakPolarHBondContact CB-O 3.48Å; R37-T41 WeakPolarHBondContact CD-OG1 3.19Å; R37-T41 WeakPolarHBondContact CG-O 3.36Å; R37-T41 PolarHBondContact N-O 3.24Å; R37-C43 HydrophobicContact CG-CB 4.18Å; R37-C43 PolarHBondContact NH2-SG 3.14Å
38Q91.6Very high90.2Very high213 Ų21371.8 Ų71.8100%0.99539%0.391SS*.THydrogen-bonded Turntrans-57.3-27.8176.9-70.7-179.4-12.400113.6G40Q38-G40 VanDerWaalsContact C-N 3.29Å
39D93Very high90Very high83 Ų8371.3 Ų71.344%0.44439%0.388SS..THydrogen-bonded Turntrans-88.29.617772.6-13.1000113.7R37 T41 R77R37-D39 WeakPolarHBondContact CB-OD1 3.32Å; R37-D39 PolarHBondContact O-N 3.5Å; R37-D39 VanDerWaalsContact O-N 3.13Å; D39-T41 VanDerWaalsContact C-N 3.27Å; D39-T41 PolarHBondContact O-N 3.35Å; D39-T41 WeakPolarHBondContact OD1-CB 3.39Å; D39-T41 PolarHBondContact OD1-N 3.05Å; D39-T41 VanDerWaalsContact OD1-N 3.13Å; D39-T41 PolarHBondContact OD1-OG1 3.13Å; D39-R77 IonicContact OD1-NH1 2.83Å; D39-R77 IonicContact OD2-CZ 3.15Å; D39-R77 IonicContact OD2-NH1 3.09Å; D39-R77 PolarHBondContact OD2-NH1 3.11Å; D39-R77 IonicContact OD2-NH2 3.78Å
40G92.7Very high89.9Confident48 Ų4871.5 Ų71.550%0.49539%0.389SS..SBendtrans80.9-4.3-179.400000114.9R37 Q38R37-G40 PolarHBondContact O-N 3.46Å; Q38-G40 VanDerWaalsContact C-N 3.29Å
41T94.6Very high89.9Confident7 Ų775.1 Ų75.14%0.04341%0.413CS..  trans-79.1144.5179.564.30000112.8R37 D39 D70 R77R37-T41 WeakPolarHBondContact CB-O 3.48Å; R37-T41 WeakPolarHBondContact CD-OG1 3.19Å; R37-T41 WeakPolarHBondContact CG-O 3.36Å; R37-T41 PolarHBondContact N-O 3.24Å; D39-T41 VanDerWaalsContact C-N 3.27Å; D39-T41 PolarHBondContact O-N 3.35Å; D39-T41 WeakPolarHBondContact OD1-CB 3.39Å; D39-T41 PolarHBondContact OD1-N 3.05Å; D39-T41 VanDerWaalsContact OD1-N 3.13Å; D39-T41 PolarHBondContact OD1-OG1 3.13Å; T41-D70 WeakPolarHBondContact CG2-O 3.33Å; T41-R77 PolarHBondContact OG1-NH1 3.34Å
42L94.2Very high90.1Very high37 Ų3772.7 Ų72.719%0.19440%0.401CS..EExtended strand (participates in β ladder)trans-76.3145.6-178.6-63.8-174.9000111.4C34 S35 G71 T72 G74 I75C34-L42 HydrophobicContact CB-CB 4.08Å; C34-L42 HydrophobicContact CB-CD1 4.32Å; C34-L42 HydrophobicContact CB-CD2 4.21Å; C34-L42 HydrophobicContact CB-CG 4.44Å; S35-L42 CarbonylContact O-C 3.51Å; S35-L42 WeakPolarHBondContact O-CA 3.38Å; L42-G71 PolarHBondContact N-O 2.93Å; L42-T72 HydrophobicContact CD1-CG2 4.03Å; L42-G74 CarbonylContact O-C 3.55Å; L42-G74 WeakPolarHBondContact O-CA 3.32Å; L42-I75 HydrophobicContact CB-CD1 4.31Å; L42-I75 HydrophobicContact CB-CG1 3.93Å; L42-I75 PolarHBondContact O-N 3.01Å
43C92.7Very high90.2Very high19 Ų1974.3 Ų74.313%0.12841%0.411CS..EExtended strand (participates in β ladder)trans-133.7135.6170.8-1730000108.2C34 S35 R37 Q45C34-C43 CarbonylContact C-O 3.42Å; C34-C43 WeakPolarHBondContact CA-O 3.23Å; C34-C43 WeakPolarHBondContact CB-O 3.29Å; S35-C43 PolarHBondContact N-O 2.82Å; S35-C43 PolarHBondContact O-N 3.02Å; R37-C43 HydrophobicContact CG-CB 4.18Å; R37-C43 PolarHBondContact NH2-SG 3.14Å; C43-Q45 PolarHBondContact O-N 3.44Å
44L90.2Very high90.4Very high11 Ų1171.9 Ų71.96%0.05840%0.402CS..EExtended strand (participates in β ladder)trans-64.3136.8171.4-78.4164.4000109.8L26 F33 E46 F50 I75 M81L26-L44 HydrophobicContact CD1-CD2 4.17Å; F33-L44 HydrophobicContact CB-CD2 4.13Å; L44-E46 PolarHBondContact O-N 3.16Å; L44-F50 HydrophobicContact CD1-CE2 4.2Å; L44-F50 HydrophobicContact CD1-CZ 4.3Å; L44-I75 HydrophobicContact CD1-CG2 3.66Å; L44-I75 HydrophobicContact CG-CG2 3.93Å; L44-M81 HydrophobicContact CD1-CE 3.11Å
45Q87Confident90.5Very high122 Ų12271.5 Ų71.557%0.5740%0.4SS*.SBendtrans-72.4-22.6177.5-64.5179.46.900111.9F33 C34 C43 P47F33-Q45 WeakPolarHBondContact O-CG 3.28Å; F33-Q45 PolarHBondContact O-N 3.05Å; C34-Q45 PolarHBondContact O-NE2 2.69Å; C43-Q45 PolarHBondContact O-N 3.44Å; Q45-P47 WeakPolarHBondContact O-CD 3.39Å
46E79.1Confident90.7Very high112 Ų11269.3 Ų69.352%0.52338%0.384SS..  trans-65.3121.6178.8-173.557.5-146.600110.7L44 G48 F50 Q80L44-E46 PolarHBondContact O-N 3.16Å; E46-G48 VanDerWaalsContact C-N 3.26Å; E46-G48 PolarHBondContact O-N 2.86Å; E46-F50 HydrophobicContact CB-CE2 4.41Å; E46-F50 HydrophobicContact CG-CE2 4.28Å; E46-Q80 PolarHBondContact O-NE2 3.39Å
47P74.7Confident90.8Very high107 Ų10770.1 Ų70.170%0.69537%0.372SS*.  trans-73.3-18.6-177.828.1-34000113.1Q45 Q80Q45-P47 WeakPolarHBondContact O-CD 3.39Å; P47-Q80 PolarHBondContact O-NE2 3.49Å
48G81.3Confident91Very high32 Ų3265.4 Ų65.433%0.3335%0.354SS..SBendtrans-64.7152.2-176.900000114.9E46E46-G48 VanDerWaalsContact C-N 3.26Å; E46-G48 PolarHBondContact O-N 2.86Å
49V88.3Confident91.3Very high86 Ų8655.3 Ų55.352%0.52131%0.306SS..PPolyproline II helixtrans-86125.2169.1179.20000108.4
50F90.2Very high91.5Very high46 Ų4657.6 Ų57.620%0.20231%0.309CS..BIsolated β-bridgetrans-75.4142.5176.8-78.7-115.3000110.1L44 E46 Q52 V54 Q80 M81L44-F50 HydrophobicContact CD1-CE2 4.2Å; L44-F50 HydrophobicContact CD1-CZ 4.3Å; E46-F50 HydrophobicContact CB-CE2 4.41Å; E46-F50 HydrophobicContact CG-CE2 4.28Å; F50-Q52 PolarHBondContact O-N 3.47Å; F50-V54 HydrophobicContact CD1-CG1 3.87Å; F50-Q80 PolarHBondContact N-O 2.94Å; F50-M81 HydrophobicContact CB-CE 3.99Å; F50-M81 HydrophobicContact CB-SD 3.63Å; F50-M81 HydrophobicContact CD1-CE 3.56Å; F50-M81 HydrophobicContact CD1-SD 4.23Å; F50-M81 HydrophobicContact CD2-CE 3.39Å; F50-M81 HydrophobicContact CD2-SD 4.06Å; F50-M81 HydrophobicContact CE1-CE 3.81Å; F50-M81 HydrophobicContact CE2-CE 3.66Å; F50-M81 HydrophobicContact CG-CE 3.35Å; F50-M81 HydrophobicContact CG-SD 3.71Å; F50-M81 HydrophobicContact CZ-CE 3.85Å
51P93.3Very high91.7Very high87 Ų8756 Ų5657%0.56529%0.29SS*.PPolyproline II helixtrans-53.7138.7168.4-23.933.5000110.5E53 V54 A55P51-E53 VanDerWaalsContact C-N 3.25Å; P51-E53 PolarHBondContact O-N 2.7Å; P51-V54 HydrophobicContact CB-CB 4.44Å; P51-V54 HydrophobicContact CB-CG2 4.07Å; P51-V54 HydrophobicContact CG-CG2 4.23Å; P51-V54 WeakPolarHBondContact O-CA 3.41Å; P51-V54 WeakPolarHBondContact O-CB 3.49Å; P51-V54 PolarHBondContact O-N 2.8Å; P51-A55 PolarHBondContact O-N 2.81Å
52Q94.6Very high91.8Very high75 Ų7555.7 Ų55.735%0.3529%0.288SS..Hα-helixtrans-54.4-40.8-174.3-174.6-134.7-72.700112.5F50 V54 A55 D56 R82 K84F50-Q52 PolarHBondContact O-N 3.47Å; Q52-V54 VanDerWaalsContact C-N 3.3Å; Q52-V54 PolarHBondContact O-N 3.06Å; Q52-A55 PolarHBondContact O-N 3.18Å; Q52-D56 PolarHBondContact NE2-OD2 3.1Å; Q52-D56 PolarHBondContact O-N 2.94Å; Q52-R82 VanDerWaalsContact CG-O 3.26Å; Q52-R82 WeakPolarHBondContact CG-O 3.46Å; Q52-K84 VanDerWaalsContact CD-CB 3.4Å; Q52-K84 HydrophobicContact CG-CB 4.08Å; Q52-K84 VanDerWaalsContact NE2-CB 3.26Å
53E94.1Very high91.9Very high159 Ų15954.5 Ų54.574%0.74328%0.283SS*.Hα-helixtrans-64-34.6178.1-63.7179.3178.700112.8P51 R57P51-E53 VanDerWaalsContact C-N 3.25Å; P51-E53 PolarHBondContact O-N 2.7Å; E53-R57 VanDerWaalsContact O-CB 3.28Å; E53-R57 WeakPolarHBondContact O-CB 3.28Å; E53-R57 PolarHBondContact O-N 3.49Å
54V94.8Very high91.8Very high29 Ų2960 Ų6018%0.17631%0.305CS..Hα-helixtrans-72.6-39.8176-179.90000110.3L19 L23 F50 P51 Q52 R57 L58L19-V54 HydrophobicContact CD1-CG1 4.14Å; L19-V54 HydrophobicContact CD1-CG2 4.2Å; L23-V54 HydrophobicContact CD2-CG1 4.24Å; F50-V54 HydrophobicContact CD1-CG1 3.87Å; P51-V54 HydrophobicContact CB-CB 4.44Å; P51-V54 HydrophobicContact CB-CG2 4.07Å; P51-V54 HydrophobicContact CG-CG2 4.23Å; P51-V54 WeakPolarHBondContact O-CA 3.41Å; P51-V54 WeakPolarHBondContact O-CB 3.49Å; P51-V54 PolarHBondContact O-N 2.8Å; Q52-V54 VanDerWaalsContact C-N 3.3Å; Q52-V54 PolarHBondContact O-N 3.06Å; V54-R57 PolarHBondContact O-N 2.76Å; V54-L58 WeakPolarHBondContact O-CB 3.29Å; V54-L58 PolarHBondContact O-N 3.29Å
55A95.7Very high91.9Very high0 Ų063.3 Ų63.30%032%0.32CS..Hα-helixtrans-63.8-46.9175.900000112.1P51 Q52 R57 L58 L59 M81 L83P51-A55 PolarHBondContact O-N 2.81Å; Q52-A55 PolarHBondContact O-N 3.18Å; A55-R57 VanDerWaalsContact C-N 3.31Å; A55-R57 PolarHBondContact O-N 2.85Å; A55-L58 PolarHBondContact O-N 2.96Å; A55-L59 PolarHBondContact O-N 3.38Å; A55-M81 HydrophobicContact CB-CB 4.25Å; A55-M81 HydrophobicContact CB-SD 3.63Å; A55-L83 HydrophobicContact CB-CD2 4.08Å
56D97.3Very high92.2Very high10 Ų1060.5 Ų60.55%0.05332%0.324CS..Hα-helixtrans-60-41.8175.7-69-25.9000110.6Q52 R60 L83 K84 R85Q52-D56 PolarHBondContact NE2-OD2 3.1Å; Q52-D56 PolarHBondContact O-N 2.94Å; D56-R60 PolarHBondContact O-N 2.78Å; D56-R60 VanDerWaalsContact O-N 3.13Å; D56-L83 WeakPolarHBondContact OD1-CA 3.27Å; D56-K84 PolarHBondContact OD1-N 3.1Å; D56-R85 PolarHBondContact OD1-N 2.9Å; D56-R85 VanDerWaalsContact OD1-N 3.14Å; D56-R85 PolarHBondContact OD2-N 2.85Å
57R96Very high92.9Very high90 Ų9057.7 Ų57.734%0.3431%0.312SS..Hα-helixtrans-70.6-37.8178.5-164.5177.7-172.6140.12.6112.8D20 L23 E53 V54 A55 R60 T61D20-R57 IonicContact OD1-CZ 3.55Å; D20-R57 IonicContact OD1-NE 2.83Å; D20-R57 PolarHBondContact OD1-NE 2.8Å; D20-R57 IonicContact OD1-NH2 3.38Å; D20-R57 PolarHBondContact OD1-NH2 2.97Å; D20-R57 IonicContact OD2-CZ 2.76Å; D20-R57 IonicContact OD2-NH2 3.97Å; D20-R57 PolarHBondContact OD2-NH2 3.28Å; L23-R57 HydrophobicContact CD1-CB 3.93Å; L23-R57 HydrophobicContact CD1-CG 3.57Å; E53-R57 VanDerWaalsContact O-CB 3.28Å; E53-R57 WeakPolarHBondContact O-CB 3.28Å; E53-R57 PolarHBondContact O-N 3.49Å; V54-R57 PolarHBondContact O-N 2.76Å; A55-R57 VanDerWaalsContact C-N 3.31Å; A55-R57 PolarHBondContact O-N 2.85Å; R57-R60 PolarHBondContact O-N 3.41Å; R57-T61 WeakPolarHBondContact O-CB 3.39Å; R57-T61 PolarHBondContact O-N 3.03Å; R57-T61 PolarHBondContact O-OG1 2.96Å
58L96.1Very high94Very high1 Ų152.8 Ų52.81%0.00528%0.28CS..Hα-helixtrans-61.3-48.2174176.160.3000110.7L23 L26 T27 V54 A55 R60 T61 M62 F76 M81L23-L58 HydrophobicContact CD2-CB 3.93Å; L23-L58 HydrophobicContact CD2-CD1 3.97Å; L23-L58 HydrophobicContact CD2-CG 4.47Å; L26-L58 HydrophobicContact CD2-CD1 3.95Å; L26-L58 HydrophobicContact CD2-CD2 4.14Å; T27-L58 HydrophobicContact CG2-CD1 3.77Å; V54-L58 WeakPolarHBondContact O-CB 3.29Å; V54-L58 PolarHBondContact O-N 3.29Å; A55-L58 PolarHBondContact O-N 2.96Å; L58-R60 VanDerWaalsContact C-N 3.31Å; L58-R60 PolarHBondContact O-N 3.4Å; L58-T61 PolarHBondContact O-N 3.15Å; L58-T61 VanDerWaalsContact O-N 3.13Å; L58-M62 HydrophobicContact CD1-CG 4.15Å; L58-M62 HydrophobicContact CD1-SD 4.19Å; L58-M62 HydrophobicContact CG-SD 4.13Å; L58-M62 WeakPolarHBondContact O-CG 3.35Å; L58-M62 PolarHBondContact O-N 3.26Å; L58-F76 HydrophobicContact CD2-CZ 4.37Å; L58-F76 HydrophobicContact CG-CZ 4.18Å; L58-M81 HydrophobicContact CD2-CE 3.53Å; L58-M81 HydrophobicContact CD2-SD 4.23Å
59L97.8Very high94.7Very high0 Ų054.7 Ų54.70%028%0.283CS..Hα-helixtrans-57.2-46.5177.5-178.264.7000111.4A55 T61 M62 A63 L68 F76 L83 A86 I88 F102A55-L59 PolarHBondContact O-N 3.38Å; L59-T61 VanDerWaalsContact C-N 3.34Å; L59-T61 PolarHBondContact O-N 2.97Å; L59-M62 PolarHBondContact O-N 3.23Å; L59-A63 WeakPolarHBondContact O-CB 3.32Å; L59-A63 PolarHBondContact O-N 3.38Å; L59-L68 HydrophobicContact CD1-CD1 3.93Å; L59-L68 HydrophobicContact CD1-CD2 3.96Å; L59-F76 HydrophobicContact CB-CD1 4.44Å; L59-F76 HydrophobicContact CB-CE1 3.67Å; L59-F76 HydrophobicContact CB-CE2 4.39Å; L59-F76 HydrophobicContact CB-CZ 3.65Å; L59-F76 HydrophobicContact CD1-CD1 4.44Å; L59-F76 HydrophobicContact CD1-CD2 3.84Å; L59-F76 HydrophobicContact CD1-CE1 4.14Å; L59-F76 HydrophobicContact CD1-CE2 3.49Å; L59-F76 VanDerWaalsContact CD1-CE2 3.49Å; L59-F76 HydrophobicContact CD1-CG 4.31Å; L59-F76 HydrophobicContact CD1-CZ 3.65Å; L59-F76 HydrophobicContact CG-CE1 4.43Å; L59-F76 HydrophobicContact CG-CZ 4.25Å; L59-L83 HydrophobicContact CB-CD2 4.36Å; L59-L83 HydrophobicContact CD2-CD1 3.8Å; L59-L83 HydrophobicContact CD2-CD2 4.15Å; L59-A86 HydrophobicContact CD2-CB 3.84Å; L59-I88 HydrophobicContact CD1-CG2 3.99Å; L59-I88 HydrophobicContact CD2-CG2 3.96Å; L59-I88 HydrophobicContact CG-CG2 4.19Å; L59-F102 HydrophobicContact CD1-CE1 3.91Å; L59-F102 HydrophobicContact CD1-CZ 4.13Å; L59-F102 HydrophobicContact CD2-CE1 3.91Å
60R96.9Very high95Very high131 Ų13153.6 Ų53.649%0.49427%0.274SS..Hα-helixtrans-61.4-41.3176.4-173.2-176.4-60.9162.61.6112.2D56 R57 L58 A63 F64 C87D56-R60 PolarHBondContact O-N 2.78Å; D56-R60 VanDerWaalsContact O-N 3.13Å; R57-R60 PolarHBondContact O-N 3.41Å; L58-R60 VanDerWaalsContact C-N 3.31Å; L58-R60 PolarHBondContact O-N 3.4Å; R60-A63 PolarHBondContact O-N 2.95Å; R60-F64 VanDerWaalsContact O-CB 3.31Å; R60-F64 WeakPolarHBondContact O-CB 3.43Å; R60-F64 PolarHBondContact O-N 3Å; R60-C87 HydrophobicContact CB-CB 4.44Å; R60-C87 HydrophobicContact CG-CB 4.42Å
61T95.9Very high95.3Very high16 Ų1652.3 Ų52.310%0.09827%0.274CS..Hα-helixtrans-65.1-42.3178.6-550000110.7L23 T27 R57 L58 L59 F64 H65L23-T61 HydrophobicContact CB-CG2 4.46Å; T27-T61 HydrophobicContact CG2-CG2 4.01Å; R57-T61 WeakPolarHBondContact O-CB 3.39Å; R57-T61 PolarHBondContact O-N 3.03Å; R57-T61 PolarHBondContact O-OG1 2.96Å; L58-T61 PolarHBondContact O-N 3.15Å; L58-T61 VanDerWaalsContact O-N 3.13Å; L59-T61 VanDerWaalsContact C-N 3.34Å; L59-T61 PolarHBondContact O-N 2.97Å; T61-F64 WeakPolarHBondContact O-CB 3.41Å; T61-F64 PolarHBondContact O-N 2.87Å; T61-H65 PolarHBondContact O-CD2 3.15Å; T61-H65 PolarHBondContact O-N 3.1Å
62M97.3Very high95.4Very high0 Ų048.9 Ų48.90%025%0.251CS..Hα-helixtrans-65.7-39.3174.6-69.3176.974.600112.6T27 L30 L58 L59 H65 G66 L67 L68 I75 F76T27-M62 HydrophobicContact CG2-CG 3.57Å; L30-M62 HydrophobicContact CD1-CE 3.89Å; L58-M62 HydrophobicContact CD1-CG 4.15Å; L58-M62 HydrophobicContact CD1-SD 4.19Å; L58-M62 HydrophobicContact CG-SD 4.13Å; L58-M62 WeakPolarHBondContact O-CG 3.35Å; L58-M62 PolarHBondContact O-N 3.26Å; L59-M62 PolarHBondContact O-N 3.23Å; M62-H65 PolarHBondContact O-N 2.83Å; M62-G66 PolarHBondContact O-N 3.1Å; M62-L67 HydrophobicContact CB-CB 4.36Å; M62-L67 PolarHBondContact O-N 2.83Å; M62-L68 HydrophobicContact CB-CD2 3.54Å; M62-L68 HydrophobicContact CB-CG 4.12Å; M62-L68 HydrophobicContact CE-CD2 3.97Å; M62-L68 HydrophobicContact SD-CD2 4.33Å; M62-I75 HydrophobicContact CE-CD1 3.96Å; M62-I75 HydrophobicContact SD-CD1 4.47Å; M62-F76 HydrophobicContact CE-CE2 4.39Å; M62-F76 HydrophobicContact SD-CE2 3.7Å; M62-F76 HydrophobicContact SD-CZ 3.77Å
63A96.2Very high95.5Very high12 Ų1245.3 Ų45.310%0.09923%0.234CC..Hα-helixtrans-62.8-45.1173.800000111L59 R60 H65 G66 L68 C87L59-A63 WeakPolarHBondContact O-CB 3.32Å; L59-A63 PolarHBondContact O-N 3.38Å; R60-A63 PolarHBondContact O-N 2.95Å; A63-H65 VanDerWaalsContact C-N 3.32Å; A63-H65 PolarHBondContact O-N 2.97Å; A63-G66 PolarHBondContact O-N 2.61Å; A63-L68 HydrophobicContact CB-CD1 3.61Å; A63-L68 HydrophobicContact CB-CG 4.34Å; A63-C87 WeakPolarHBondContact CB-O 3.33Å
64F91.4Very high95.6Very high134 Ų13437.7 Ų37.759%0.58820%0.199SC*.Hα-helixtrans-58.4-42.5178.1-179.5-94.1000112.3R60 T61 G66R60-F64 VanDerWaalsContact O-CB 3.31Å; R60-F64 WeakPolarHBondContact O-CB 3.43Å; R60-F64 PolarHBondContact O-N 3Å; T61-F64 WeakPolarHBondContact O-CB 3.41Å; T61-F64 PolarHBondContact O-N 2.87Å; F64-G66 VanDerWaalsContact C-N 3.26Å; F64-G66 PolarHBondContact O-N 2.99Å
65H92Very high95.6Very high81 Ų8136.5 Ų36.538%0.37519%0.191SC..THydrogen-bonded Turntrans-82.15.1177.1-66.9-56.1000114.1N24 T61 M62 A63 L67N24-H65 PolarHBondContact OD1-NE2 2.96Å; T61-H65 PolarHBondContact O-CD2 3.15Å; T61-H65 PolarHBondContact O-N 3.1Å; M62-H65 PolarHBondContact O-N 2.83Å; A63-H65 VanDerWaalsContact C-N 3.32Å; A63-H65 PolarHBondContact O-N 2.97Å; H65-L67 VanDerWaalsContact C-N 3.25Å; H65-L67 HydrophobicContact CB-CD1 3.95Å; H65-L67 HydrophobicContact CB-CG 3.84Å; H65-L67 PolarHBondContact O-N 3.38Å
66G92.5Very high95.6Very high63 Ų6336.5 Ų36.565%0.64919%0.191SC*.THydrogen-bonded Turntrans66.124.1178.900000114.4M62 A63 F64M62-G66 PolarHBondContact O-N 3.1Å; A63-G66 PolarHBondContact O-N 2.61Å; F64-G66 VanDerWaalsContact C-N 3.26Å; F64-G66 PolarHBondContact O-N 2.99Å
67L95.6Very high95.5Very high53 Ų5337.6 Ų37.628%0.27720%0.195SC..  trans-87.6-10.4-174.1-61.5176000113.7T27 L30 M62 H65 N69 T72T27-L67 HydrophobicContact CG2-CD1 4.38Å; T27-L67 WeakPolarHBondContact O-CD1 3.42Å; L30-L67 HydrophobicContact CD1-CD1 4.22Å; M62-L67 HydrophobicContact CB-CB 4.36Å; M62-L67 PolarHBondContact O-N 2.83Å; H65-L67 VanDerWaalsContact C-N 3.25Å; H65-L67 HydrophobicContact CB-CD1 3.95Å; H65-L67 HydrophobicContact CB-CG 3.84Å; H65-L67 PolarHBondContact O-N 3.38Å; L67-N69 PolarHBondContact O-N 2.81Å; L67-T72 WeakPolarHBondContact O-CB 3.43Å; L67-T72 VanDerWaalsContact O-CG2 3.29Å; L67-T72 WeakPolarHBondContact O-CG2 3.5Å; L67-T72 PolarHBondContact O-OG1 3.4Å
68L96.6Very high95.1Very high4 Ų435 Ų352%0.02120%0.196CC..  trans-76.1109.6-175.3-61.8-175.8000111.7L59 M62 A63 T72 V73 I88 A91 K92L59-L68 HydrophobicContact CD1-CD1 3.93Å; L59-L68 HydrophobicContact CD1-CD2 3.96Å; M62-L68 HydrophobicContact CB-CD2 3.54Å; M62-L68 HydrophobicContact CB-CG 4.12Å; M62-L68 HydrophobicContact CE-CD2 3.97Å; M62-L68 HydrophobicContact SD-CD2 4.33Å; A63-L68 HydrophobicContact CB-CD1 3.61Å; A63-L68 HydrophobicContact CB-CG 4.34Å; L68-T72 WeakPolarHBondContact CA-OG1 3.37Å; L68-V73 HydrophobicContact CB-CG1 4.21Å; L68-V73 HydrophobicContact CD2-CG1 4.09Å; L68-I88 HydrophobicContact CD1-CB 4.09Å; L68-I88 HydrophobicContact CD1-CG2 4.01Å; L68-A91 HydrophobicContact CB-CB 3.52Å; L68-A91 HydrophobicContact CD1-CB 4.03Å; L68-A91 HydrophobicContact CG-CB 4.44Å; L68-K92 PolarHBondContact O-N 2.93Å
69N95.8Very high94.7Very high72 Ų7240.2 Ų40.239%0.38522%0.224SC..BIsolated β-bridgetrans-138.1175.1170.662.254.3000110.5L67 G71 T72 V73 K92L67-N69 PolarHBondContact O-N 2.81Å; N69-G71 PolarHBondContact O-N 3.07Å; N69-G71 VanDerWaalsContact O-N 3.08Å; N69-G71 WeakPolarHBondContact OD1-CA 3.41Å; N69-G71 PolarHBondContact OD1-N 3.2Å; N69-T72 PolarHBondContact N-OG1 2.89Å; N69-T72 PolarHBondContact O-N 3.31Å; N69-T72 VanDerWaalsContact O-N 3.08Å; N69-T72 PolarHBondContact O-OG1 3.48Å; N69-T72 PolarHBondContact OD1-N 3.43Å; N69-V73 WeakPolarHBondContact O-CG2 3.44Å; N69-V73 PolarHBondContact O-N 3.14Å; N69-K92 VanDerWaalsContact CA-O 3.27Å; N69-K92 WeakPolarHBondContact CA-O 3.26Å
70D95.4Very high94.3Very high63 Ų6342.4 Ų42.434%0.33723%0.234SC..THydrogen-bonded Turntrans-52-33.6-178.1-8520.3000114.1T41 I93 S94 A97T41-D70 WeakPolarHBondContact CG2-O 3.33Å; D70-I93 WeakPolarHBondContact OD1-CA 3.46Å; D70-S94 PolarHBondContact OD1-N 3.49Å; D70-S94 PolarHBondContact OD1-OG 2.59Å; D70-S94 VanDerWaalsContact OD2-CB 3.3Å; D70-S94 WeakPolarHBondContact OD2-CB 3.2Å; D70-S94 PolarHBondContact OD2-OG 3.49Å; D70-A97 HydrophobicContact CB-CB 4.1Å; D70-A97 VanDerWaalsContact CG-CB 3.44Å; D70-A97 WeakPolarHBondContact OD1-CB 3.49Å
71G95.4Very high94.1Very high19 Ų1936.2 Ų36.220%0.19621%0.211CC..THydrogen-bonded Turntrans-72.2-53.6175.400000112.2L42 N69 G74L42-G71 PolarHBondContact N-O 2.93Å; N69-G71 PolarHBondContact O-N 3.07Å; N69-G71 VanDerWaalsContact O-N 3.08Å; N69-G71 WeakPolarHBondContact OD1-CA 3.41Å; N69-G71 PolarHBondContact OD1-N 3.2Å; G71-G74 PolarHBondContact O-N 3.24Å
72T96.2Very high94Very high14 Ų1442.3 Ų42.39%0.08623%0.232CC..G310 helixtrans-74-31.4-171.564.10000113.6L30 L42 L67 L68 N69 G74 I75L30-T72 HydrophobicContact CD1-CG2 4.5Å; L42-T72 HydrophobicContact CD1-CG2 4.03Å; L67-T72 WeakPolarHBondContact O-CB 3.43Å; L67-T72 VanDerWaalsContact O-CG2 3.29Å; L67-T72 WeakPolarHBondContact O-CG2 3.5Å; L67-T72 PolarHBondContact O-OG1 3.4Å; L68-T72 WeakPolarHBondContact CA-OG1 3.37Å; N69-T72 PolarHBondContact N-OG1 2.89Å; N69-T72 PolarHBondContact O-N 3.31Å; N69-T72 VanDerWaalsContact O-N 3.08Å; N69-T72 PolarHBondContact O-OG1 3.48Å; N69-T72 PolarHBondContact OD1-N 3.43Å; T72-G74 PolarHBondContact O-N 3.18Å; T72-G74 VanDerWaalsContact O-N 3.09Å; T72-I75 WeakPolarHBondContact O-CB 3.25Å; T72-I75 WeakPolarHBondContact O-CG1 3.29Å; T72-I75 PolarHBondContact O-N 2.91Å; T72-I75 VanDerWaalsContact O-N 3.13Å
73V96.4Very high94Very high0 Ų042.5 Ų42.50%023%0.233CC..G310 helixtrans-65-14.2175-62.60000112.9L68 N69 I75 F76 I93 A97 A101 F102L68-V73 HydrophobicContact CB-CG1 4.21Å; L68-V73 HydrophobicContact CD2-CG1 4.09Å; N69-V73 WeakPolarHBondContact O-CG2 3.44Å; N69-V73 PolarHBondContact O-N 3.14Å; V73-I75 PolarHBondContact O-N 2.87Å; V73-I75 VanDerWaalsContact O-N 3.13Å; V73-F76 PolarHBondContact O-N 2.94Å; V73-I93 HydrophobicContact CG1-CG2 3.74Å; V73-I93 HydrophobicContact CG2-CG2 4.19Å; V73-A97 HydrophobicContact CG2-CB 3.99Å; V73-A101 HydrophobicContact CB-CB 3.99Å; V73-A101 HydrophobicContact CG2-CB 4.08Å; V73-A101 WeakPolarHBondContact O-CB 3.49Å; V73-F102 HydrophobicContact CB-CE2 4.34Å; V73-F102 HydrophobicContact CB-CZ 4.14Å; V73-F102 HydrophobicContact CG1-CE2 4.21Å; V73-F102 HydrophobicContact CG1-CZ 3.94Å
74G95.8Very high94.1Very high0 Ų046.1 Ų46.10%025%0.247CC..G310 helixtrans-50.1-30.3168.200000114.5L42 G71 T72 F76 R77L42-G74 CarbonylContact O-C 3.55Å; L42-G74 WeakPolarHBondContact O-CA 3.32Å; G71-G74 PolarHBondContact O-N 3.24Å; T72-G74 PolarHBondContact O-N 3.18Å; T72-G74 VanDerWaalsContact O-N 3.09Å; G74-F76 PolarHBondContact O-N 3.47Å; G74-R77 VanDerWaalsContact O-CB 3.25Å; G74-R77 WeakPolarHBondContact O-CB 3.44Å; G74-R77 WeakPolarHBondContact O-CG 3.38Å; G74-R77 PolarHBondContact O-N 2.82Å
75I95.3Very high94.4Very high3 Ų345.6 Ų45.62%0.01524%0.241CC..G310 helixtrans-59.7-30.5179.2-66.9169.5000111.3L30 L42 L44 M62 T72 V73 R77 M81L30-I75 HydrophobicContact CD2-CD1 3.97Å; L42-I75 HydrophobicContact CB-CD1 4.31Å; L42-I75 HydrophobicContact CB-CG1 3.93Å; L42-I75 PolarHBondContact O-N 3.01Å; L44-I75 HydrophobicContact CD1-CG2 3.66Å; L44-I75 HydrophobicContact CG-CG2 3.93Å; M62-I75 HydrophobicContact CE-CD1 3.96Å; M62-I75 HydrophobicContact SD-CD1 4.47Å; T72-I75 WeakPolarHBondContact O-CB 3.25Å; T72-I75 WeakPolarHBondContact O-CG1 3.29Å; T72-I75 PolarHBondContact O-N 2.91Å; T72-I75 VanDerWaalsContact O-N 3.13Å; V73-I75 PolarHBondContact O-N 2.87Å; V73-I75 VanDerWaalsContact O-N 3.13Å; I75-R77 VanDerWaalsContact C-N 3.34Å; I75-M81 HydrophobicContact CG2-CG 4.26Å
76F96.3Very high94.7Very high0 Ų041.9 Ų41.90%022%0.224CC..G310 helixtrans-90.93-178.5-56.7-82.4000113.1L58 L59 M62 V73 G74 M81 L83 F102 H104 H105L58-F76 HydrophobicContact CD2-CZ 4.37Å; L58-F76 HydrophobicContact CG-CZ 4.18Å; L59-F76 HydrophobicContact CB-CD1 4.44Å; L59-F76 HydrophobicContact CB-CE1 3.67Å; L59-F76 HydrophobicContact CB-CE2 4.39Å; L59-F76 HydrophobicContact CB-CZ 3.65Å; L59-F76 HydrophobicContact CD1-CD1 4.44Å; L59-F76 HydrophobicContact CD1-CD2 3.84Å; L59-F76 HydrophobicContact CD1-CE1 4.14Å; L59-F76 HydrophobicContact CD1-CE2 3.49Å; L59-F76 VanDerWaalsContact CD1-CE2 3.49Å; L59-F76 HydrophobicContact CD1-CG 4.31Å; L59-F76 HydrophobicContact CD1-CZ 3.65Å; L59-F76 HydrophobicContact CG-CE1 4.43Å; L59-F76 HydrophobicContact CG-CZ 4.25Å; M62-F76 HydrophobicContact CE-CE2 4.39Å; M62-F76 HydrophobicContact SD-CE2 3.7Å; M62-F76 HydrophobicContact SD-CZ 3.77Å; V73-F76 PolarHBondContact O-N 2.94Å; G74-F76 PolarHBondContact O-N 3.47Å; F76-M81 HydrophobicContact CD1-CB 3.82Å; F76-M81 HydrophobicContact CD1-CG 4.28Å; F76-M81 HydrophobicContact CE1-CB 4.41Å; F76-M81 HydrophobicContact CE1-CG 4.49Å; F76-L83 HydrophobicContact CB-CD1 4.06Å; F76-L83 HydrophobicContact CD1-CD1 3.84Å; F76-L83 HydrophobicContact CD1-CD2 3.93Å; F76-L83 HydrophobicContact CD1-CG 4.14Å; F76-L83 HydrophobicContact CE1-CD2 4.21Å; F76-L83 HydrophobicContact CG-CD1 4.16Å; F76-F102 HydrophobicContact CB-CE1 4.35Å; F76-H104 PolarHBondContact O-CE1 2.88Å; F76-H104 VanDerWaalsContact O-CE1 3.32Å; F76-H104 PolarHBondContact O-NE2 2.9Å; F76-H105 PolarHBondContact O-CE1 2.91Å; F76-H105 PolarHBondContact O-NE2 3.33Å
77R93.9Very high95Very high34 Ų3439.9 Ų39.913%0.12820%0.2CC..SBendtrans-73.1140.4172.9-63.2-179.9177.7-176.41.5110.5D39 T41 G74 I75 A101D39-R77 IonicContact OD1-NH1 2.83Å; D39-R77 IonicContact OD2-CZ 3.15Å; D39-R77 IonicContact OD2-NH1 3.09Å; D39-R77 PolarHBondContact OD2-NH1 3.11Å; D39-R77 IonicContact OD2-NH2 3.78Å; T41-R77 PolarHBondContact OG1-NH1 3.34Å; G74-R77 VanDerWaalsContact O-CB 3.25Å; G74-R77 WeakPolarHBondContact O-CB 3.44Å; G74-R77 WeakPolarHBondContact O-CG 3.38Å; G74-R77 PolarHBondContact O-N 2.82Å; I75-R77 VanDerWaalsContact C-N 3.34Å; R77-A101 HydrophobicContact CG-CB 4.41Å
78G88.3Confident95.1Very high35 Ų3537.3 Ų37.336%0.36119%0.186SC..SBendtrans78.1-153.9178.500000113.7H104G78-H104 PolarHBondContact N-NE2 3.43Å; G78-H104 VanDerWaalsContact N-NE2 3.19Å; G78-H104 PolarHBondContact O-NE2 3.32Å
79N87.8Confident95Very high111 Ų11140.2 Ų40.259%0.59420%0.197SC*.SBendtrans-106.6-2.8-164.4-71.4-29.3000115.2
80Q89.5Confident94.9Very high46 Ų4642.4 Ų42.422%0.21520%0.203CC..SBendtrans-70.6-36.8179.5-71.9-179.7-44.300112.2E46 P47 F50E46-Q80 PolarHBondContact O-NE2 3.39Å; P47-Q80 PolarHBondContact O-NE2 3.49Å; F50-Q80 PolarHBondContact N-O 2.94Å
81M92.6Very high95Very high0 Ų039.6 Ų39.60%019%0.189CC..BIsolated β-bridgetrans-115.479.3-179.5-73.2-66.7-179.900110.5L44 F50 A55 L58 I75 F76 L83 H105L44-M81 HydrophobicContact CD1-CE 3.11Å; F50-M81 HydrophobicContact CB-CE 3.99Å; F50-M81 HydrophobicContact CB-SD 3.63Å; F50-M81 HydrophobicContact CD1-CE 3.56Å; F50-M81 HydrophobicContact CD1-SD 4.23Å; F50-M81 HydrophobicContact CD2-CE 3.39Å; F50-M81 HydrophobicContact CD2-SD 4.06Å; F50-M81 HydrophobicContact CE1-CE 3.81Å; F50-M81 HydrophobicContact CE2-CE 3.66Å; F50-M81 HydrophobicContact CG-CE 3.35Å; F50-M81 HydrophobicContact CG-SD 3.71Å; F50-M81 HydrophobicContact CZ-CE 3.85Å; A55-M81 HydrophobicContact CB-CB 4.25Å; A55-M81 HydrophobicContact CB-SD 3.63Å; L58-M81 HydrophobicContact CD2-CE 3.53Å; L58-M81 HydrophobicContact CD2-SD 4.23Å; I75-M81 HydrophobicContact CG2-CG 4.26Å; F76-M81 HydrophobicContact CD1-CB 3.82Å; F76-M81 HydrophobicContact CD1-CG 4.28Å; F76-M81 HydrophobicContact CE1-CB 4.41Å; F76-M81 HydrophobicContact CE1-CG 4.49Å; M81-L83 PolarHBondContact O-N 3Å; M81-H105 PolarHBondContact O-CE1 3.43Å
82R94Very high95Very high144 Ų14445.4 Ų45.454%0.54321%0.209SC..  trans-73.9117.9-179.2-66.3179.8-179.3176.9-0.5110.6Q52Q52-R82 VanDerWaalsContact CG-O 3.26Å; Q52-R82 WeakPolarHBondContact CG-O 3.46Å
83L97.4Very high95Very high4 Ų444.8 Ų44.82%0.02121%0.205CC..  trans-99.9144.2-179.7-61.7173.2000111.9A55 D56 L59 F76 M81 F102 H105 L107A55-L83 HydrophobicContact CB-CD2 4.08Å; D56-L83 WeakPolarHBondContact OD1-CA 3.27Å; L59-L83 HydrophobicContact CB-CD2 4.36Å; L59-L83 HydrophobicContact CD2-CD1 3.8Å; L59-L83 HydrophobicContact CD2-CD2 4.15Å; F76-L83 HydrophobicContact CB-CD1 4.06Å; F76-L83 HydrophobicContact CD1-CD1 3.84Å; F76-L83 HydrophobicContact CD1-CD2 3.93Å; F76-L83 HydrophobicContact CD1-CG 4.14Å; F76-L83 HydrophobicContact CE1-CD2 4.21Å; F76-L83 HydrophobicContact CG-CD1 4.16Å; M81-L83 PolarHBondContact O-N 3Å; L83-F102 HydrophobicContact CD1-CD1 3.78Å; L83-F102 HydrophobicContact CD1-CE1 3.95Å; L83-H105 HydrophobicContact CB-CB 4.22Å; L83-H105 PolarHBondContact N-ND1 3.33Å; L83-L107 HydrophobicContact CB-CD2 3.75Å
84K97.7Very high95Very high89 Ų8946.2 Ų46.239%0.38722%0.215SC..SBendtrans-126-32.1169.1-169178179.2179.20111.8Q52 D56 V108 E109Q52-K84 VanDerWaalsContact CD-CB 3.4Å; Q52-K84 HydrophobicContact CG-CB 4.08Å; Q52-K84 VanDerWaalsContact NE2-CB 3.26Å; D56-K84 PolarHBondContact OD1-N 3.1Å; K84-V108 HydrophobicContact CD-CG2 4.27Å; K84-V108 HydrophobicContact CG-CB 4.1Å; K84-V108 HydrophobicContact CG-CG2 3.72Å; K84-V108 PolarHBondContact O-N 3.24Å; K84-E109 PolarHBondContact O-N 2.92Å
85R98.2Very high94.9Very high122 Ų12247.4 Ų47.446%0.4623%0.225SC..EExtended strand (participates in β ladder)trans-126.595.6178.9-61178.8-177.7-126.410.2108.6D56 E109D56-R85 PolarHBondContact OD1-N 2.9Å; D56-R85 VanDerWaalsContact OD1-N 3.14Å; D56-R85 PolarHBondContact OD2-N 2.85Å; R85-E109 HydrophobicContact CB-CB 4.35Å; R85-E109 WeakPolarHBondContact CD-OE2 3.47Å; R85-E109 HydrophobicContact CG-CB 4.19Å; R85-E109 HydrophobicContact CG-CG 4.26Å; R85-E109 WeakPolarHBondContact CG-OE2 3.11Å; R85-E109 IonicContact CZ-OE1 2.88Å; R85-E109 IonicContact CZ-OE2 2.84Å; R85-E109 IonicContact NE-OE2 2.99Å; R85-E109 VanDerWaalsContact NH1-CD 3.26Å; R85-E109 IonicContact NH1-OE1 2.63Å; R85-E109 PolarHBondContact NH1-OE1 3.03Å; R85-E109 IonicContact NH1-OE2 3.4Å; R85-E109 PolarHBondContact NH1-OE2 3.1Å
86A98.3Very high94.9Very high3 Ų351.4 Ų51.43%0.02525%0.249CC..EExtended strand (participates in β ladder)trans-90123.9-177.800000110.6L59 L107 E109 L110 D111L59-A86 HydrophobicContact CD2-CB 3.84Å; A86-L107 HydrophobicContact CB-CD1 4.27Å; A86-L107 HydrophobicContact CB-CD2 3.87Å; A86-E109 PolarHBondContact N-O 3.45Å; A86-L110 HydrophobicContact CB-CD1 3.65Å; A86-L110 CarbonylContact O-C 3.56Å; A86-L110 WeakPolarHBondContact O-CA 3.03Å; A86-D111 PolarHBondContact O-N 3.23Å
87C98.1Very high94.8Very high21 Ų2151.5 Ų51.514%0.14225%0.249CC..EExtended strand (participates in β ladder)trans-119.8107.2172.4177.80000108.1R60 A63R60-C87 HydrophobicContact CB-CB 4.44Å; R60-C87 HydrophobicContact CG-CB 4.42Å; A63-C87 WeakPolarHBondContact CB-O 3.33Å
88I97.8Very high95Very high0 Ų049.9 Ų49.90%024%0.244CC..  trans-120.928.3-175.260.3170.7000111.3L59 L68 K90 A91 I93 F98 F102 L110 D111 A112 V115L59-I88 HydrophobicContact CD1-CG2 3.99Å; L59-I88 HydrophobicContact CD2-CG2 3.96Å; L59-I88 HydrophobicContact CG-CG2 4.19Å; L68-I88 HydrophobicContact CD1-CB 4.09Å; L68-I88 HydrophobicContact CD1-CG2 4.01Å; I88-K90 PolarHBondContact O-N 2.88Å; I88-A91 HydrophobicContact CB-CB 4.28Å; I88-A91 WeakPolarHBondContact O-CB 3.15Å; I88-A91 PolarHBondContact O-N 2.81Å; I88-A91 VanDerWaalsContact O-N 3.1Å; I88-I93 HydrophobicContact CD1-CD1 4.08Å; I88-F98 HydrophobicContact CD1-CD2 3.89Å; I88-F98 HydrophobicContact CD1-CE2 3.86Å; I88-F102 HydrophobicContact CD1-CE2 4.37Å; I88-F102 HydrophobicContact CG2-CE1 3.95Å; I88-F102 HydrophobicContact CG2-CE2 4.11Å; I88-F102 HydrophobicContact CG2-CZ 3.63Å; I88-L110 HydrophobicContact CD1-CD1 4.04Å; I88-L110 HydrophobicContact CG1-CD1 4.07Å; I88-D111 WeakPolarHBondContact CG1-O 3.47Å; I88-D111 PolarHBondContact N-O 2.89Å; I88-A112 HydrophobicContact CD1-CB 4.15Å; I88-A112 HydrophobicContact CG1-CB 4.12Å; I88-V115 HydrophobicContact CB-CG2 4.47Å; I88-V115 HydrophobicContact CD1-CG2 3.96Å; I88-V115 HydrophobicContact CG1-CG2 3.84Å; I88-V115 WeakPolarHBondContact O-CG2 3.25Å
89R95.4Very high95.4Very high65 Ų6553.2 Ų53.225%0.24525%0.245CC..THydrogen-bonded Turntrans-48.7133.6-177.8-61.1-176.677.1-166.5-0.3111A91 D111 T113 E336R89-A91 PolarHBondContact O-N 2.89Å; R89-D111 VanDerWaalsContact CD-OD2 3.27Å; R89-D111 WeakPolarHBondContact CD-OD2 3.23Å; R89-D111 WeakPolarHBondContact CG-OD2 3.37Å; R89-D111 IonicContact NE-OD2 2.92Å; R89-T113 CarbonylContact C-O 3.58Å; R89-T113 VanDerWaalsContact CA-O 3.24Å; R89-T113 WeakPolarHBondContact CA-O 3.46Å; R89-E336 IonicContact CZ-OE1 3.69Å; R89-E336 IonicContact CZ-OE2 3.34Å; R89-E336 IonicContact NH1-OE1 2.72Å; R89-E336 PolarHBondContact NH1-OE1 2.63Å; R89-E336 IonicContact NH2-OE1 3.97Å; R89-E336 PolarHBondContact NH2-OE1 2.62Å; R89-E336 IonicContact NH2-OE2 2.75Å; R89-E336 PolarHBondContact NH2-OE2 3.09Å
90K93.7Very high95.8Very high118 Ų11853 Ų5351%0.51324%0.239SC..THydrogen-bonded Turntrans57.118.6176.7-53.7177.2-178175.10114.9I88 T113 G114I88-K90 PolarHBondContact O-N 2.88Å; K90-T113 PolarHBondContact N-O 2.95Å; K90-G114 WeakPolarHBondContact CA-O 3.38Å
91A96.7Very high96.1Very high4 Ų450.8 Ų50.83%0.03323%0.229CC..  trans-64.1145174.700000111.1L68 I88 R89 I93 V115 N116L68-A91 HydrophobicContact CB-CB 3.52Å; L68-A91 HydrophobicContact CD1-CB 4.03Å; L68-A91 HydrophobicContact CG-CB 4.44Å; I88-A91 HydrophobicContact CB-CB 4.28Å; I88-A91 WeakPolarHBondContact O-CB 3.15Å; I88-A91 PolarHBondContact O-N 2.81Å; I88-A91 VanDerWaalsContact O-N 3.1Å; R89-A91 PolarHBondContact O-N 2.89Å; A91-I93 HydrophobicContact CB-CD1 4.38Å; A91-I93 HydrophobicContact CB-CG1 4.2Å; A91-I93 HydrophobicContact CB-CG2 4.23Å; A91-V115 HydrophobicContact CB-CG2 4.23Å; A91-V115 WeakPolarHBondContact O-CA 3.47Å; A91-V115 WeakPolarHBondContact O-CG1 3.34Å; A91-N116 PolarHBondContact O-N 3.17Å; A91-N116 VanDerWaalsContact O-O 3.12Å
92K96Very high96.4Very high141 Ų14150.8 Ų50.861%0.61323%0.229SC*.BIsolated β-bridgetrans-100.273.4177.5-67.4-176.3178.2-179.60109.9L68 N69 N116L68-K92 PolarHBondContact O-N 2.93Å; N69-K92 VanDerWaalsContact CA-O 3.27Å; N69-K92 WeakPolarHBondContact CA-O 3.26Å; K92-N116 CarbonylContact C-O 3.54Å; K92-N116 VanDerWaalsContact CA-O 3.22Å; K92-N116 WeakPolarHBondContact CA-O 3.33Å; K92-N116 WeakPolarHBondContact CG-OD1 3.42Å
93I96.2Very high96.5Very high0 Ų044.2 Ų44.20%020%0.204CC..  trans-128.9144.5-170.661.1171.9000113.5D70 V73 I88 A91 F98 F102 V115 N116 I119D70-I93 WeakPolarHBondContact OD1-CA 3.46Å; V73-I93 HydrophobicContact CG1-CG2 3.74Å; V73-I93 HydrophobicContact CG2-CG2 4.19Å; I88-I93 HydrophobicContact CD1-CD1 4.08Å; A91-I93 HydrophobicContact CB-CD1 4.38Å; A91-I93 HydrophobicContact CB-CG1 4.2Å; A91-I93 HydrophobicContact CB-CG2 4.23Å; I93-F98 HydrophobicContact CD1-CB 4.07Å; I93-F98 HydrophobicContact CD1-CD2 4.19Å; I93-F102 HydrophobicContact CD1-CE2 3.88Å; I93-V115 HydrophobicContact CD1-CG1 4.27Å; I93-V115 HydrophobicContact CG1-CG1 3.68Å; I93-N116 PolarHBondContact N-O 2.83Å; I93-I119 WeakPolarHBondContact O-CG2 3.35Å
94S95.3Very high96.5Very high31 Ų3147.5 Ų47.522%0.21722%0.22CC..  trans-78.3160.1173.869.10000112.3D70 V96 A97 F98D70-S94 PolarHBondContact OD1-N 3.49Å; D70-S94 PolarHBondContact OD1-OG 2.59Å; D70-S94 VanDerWaalsContact OD2-CB 3.3Å; D70-S94 WeakPolarHBondContact OD2-CB 3.2Å; D70-S94 PolarHBondContact OD2-OG 3.49Å; S94-V96 PolarHBondContact O-N 3.21Å; S94-A97 PolarHBondContact O-N 3.24Å; S94-A97 WeakPolarHBondContact OG-CB 3.37Å; S94-A97 PolarHBondContact OG-N 3.33Å; S94-F98 PolarHBondContact O-N 3.38Å
95A94.3Very high96.4Very high25 Ų2543.7 Ų43.721%0.20720%0.203CC..Hα-helixtrans-55.5-36173.100000112.9R99 I119 D123A95-R99 WeakPolarHBondContact O-CB 3.38Å; A95-R99 PolarHBondContact O-N 3.13Å; A95-I119 HydrophobicContact CB-CG1 4.13Å; A95-D123 HydrophobicContact CB-CB 3.8Å
96V94.9Very high96.4Very high87 Ų8744.1 Ų44.153%0.52721%0.209SC..Hα-helixtrans-69.2-45.5178.4178.20000110.9S94 R99 K100S94-V96 PolarHBondContact O-N 3.21Å; V96-R99 PolarHBondContact O-N 3.44Å; V96-K100 HydrophobicContact CG1-CD 4.16Å; V96-K100 WeakPolarHBondContact O-CG 3.42Å; V96-K100 PolarHBondContact O-N 2.86Å; V96-K100 VanDerWaalsContact O-N 3.07Å
97A95.9Very high96.4Very high1 Ų144 Ų441%0.00821%0.207CC..Hα-helixtrans-64-43.6177.700000111.3D70 V73 S94 R99 K100 A101D70-A97 HydrophobicContact CB-CB 4.1Å; D70-A97 VanDerWaalsContact CG-CB 3.44Å; D70-A97 WeakPolarHBondContact OD1-CB 3.49Å; V73-A97 HydrophobicContact CG2-CB 3.99Å; S94-A97 PolarHBondContact O-N 3.24Å; S94-A97 WeakPolarHBondContact OG-CB 3.37Å; S94-A97 PolarHBondContact OG-N 3.33Å; A97-R99 PolarHBondContact O-N 2.77Å; A97-K100 PolarHBondContact O-N 3.47Å; A97-A101 VanDerWaalsContact O-CB 3.23Å; A97-A101 WeakPolarHBondContact O-CB 3.21Å; A97-A101 PolarHBondContact O-N 3.34Å
98F97.3Very high96.4Very high1 Ų143.8 Ų43.80%0.00421%0.205CC..Hα-helixtrans-55.3-51174.3174.5-96.9000111.6I88 I93 S94 K100 A101 F102 C103 L110 I119 I124 L128I88-F98 HydrophobicContact CD1-CD2 3.89Å; I88-F98 HydrophobicContact CD1-CE2 3.86Å; I93-F98 HydrophobicContact CD1-CB 4.07Å; I93-F98 HydrophobicContact CD1-CD2 4.19Å; S94-F98 PolarHBondContact O-N 3.38Å; F98-K100 PolarHBondContact O-N 3.18Å; F98-A101 PolarHBondContact O-N 3.1Å; F98-F102 HydrophobicContact CB-CD2 4.45Å; F98-F102 HydrophobicContact CD2-CB 4.34Å; F98-F102 AromaticContact CD2-CD2 3.47Å; F98-F102 HydrophobicContact CD2-CD2 3.47Å; F98-F102 VanDerWaalsContact CD2-CD2 3.47Å; F98-F102 HydrophobicContact CD2-CE2 4.22Å; F98-F102 HydrophobicContact CD2-CG 4.29Å; F98-F102 HydrophobicContact CE2-CB 4.1Å; F98-F102 AromaticContact CE2-CD2 3.92Å; F98-F102 HydrophobicContact CE2-CD2 3.92Å; F98-F102 HydrophobicContact CE2-CG 4.32Å; F98-F102 HydrophobicContact CG-CD2 4.18Å; F98-F102 HydrophobicContact CZ-CB 4.46Å; F98-F102 WeakPolarHBondContact O-CB 3.41Å; F98-F102 WeakPolarHBondContact O-CD2 3.42Å; F98-F102 PolarHBondContact O-N 3.38Å; F98-C103 VanDerWaalsContact CE1-SG 3.54Å; F98-L110 HydrophobicContact CE2-CD1 4.49Å; F98-L110 HydrophobicContact CE2-CD2 3.96Å; F98-L110 HydrophobicContact CZ-CD2 3.85Å; F98-I119 HydrophobicContact CB-CD1 3.5Å; F98-I119 HydrophobicContact CD1-CD1 4.11Å; F98-I119 HydrophobicContact CD2-CD1 4.25Å; F98-I119 HydrophobicContact CG-CD1 3.69Å; F98-I124 HydrophobicContact CD1-CG1 4.49Å; F98-I124 HydrophobicContact CE1-CB 4.25Å; F98-I124 HydrophobicContact CE1-CG1 4.28Å; F98-I124 HydrophobicContact CE1-CG2 4.08Å; F98-I124 HydrophobicContact CE2-CG2 4.45Å; F98-I124 HydrophobicContact CZ-CB 4.34Å; F98-I124 HydrophobicContact CZ-CG1 4.32Å; F98-I124 HydrophobicContact CZ-CG2 3.76Å; F98-L128 HydrophobicContact CE1-CG 4.33Å; F98-L128 HydrophobicContact CZ-CD2 4.1Å; F98-L128 HydrophobicContact CZ-CG 4.1Å
99R96.6Very high96.4Very high104 Ų10446.6 Ų46.639%0.39222%0.219SC..Hα-helixtrans-58.6-45.8-179.6-171.7-176.1-59.3-98.2-1.4112.4A95 V96 A97 C103A95-R99 WeakPolarHBondContact O-CB 3.38Å; A95-R99 PolarHBondContact O-N 3.13Å; V96-R99 PolarHBondContact O-N 3.44Å; A97-R99 PolarHBondContact O-N 2.77Å; R99-C103 HydrophobicContact CG-CB 4.49Å; R99-C103 WeakPolarHBondContact O-CB 3.42Å; R99-C103 PolarHBondContact O-N 3.46Å
100K95.9Very high96.6Very high107 Ų10743.6 Ų43.647%0.46521%0.207SC..Hα-helixtrans-71.1-33.1-178.4-71.6179.3177.8179.30112.9V96 A97 F98 H104V96-K100 HydrophobicContact CG1-CD 4.16Å; V96-K100 WeakPolarHBondContact O-CG 3.42Å; V96-K100 PolarHBondContact O-N 2.86Å; V96-K100 VanDerWaalsContact O-N 3.07Å; A97-K100 PolarHBondContact O-N 3.47Å; F98-K100 PolarHBondContact O-N 3.18Å; K100-H104 PolarHBondContact O-CE1 3.19Å; K100-H104 PolarHBondContact O-ND1 2.95Å
101A96.6Very high96.8Very high0 Ų039.8 Ų39.80%019%0.192CC..Hα-helixtrans-89.5-32.2-174.600000113.6V73 R77 A97 F98 H104 H105V73-A101 HydrophobicContact CB-CB 3.99Å; V73-A101 HydrophobicContact CG2-CB 4.08Å; V73-A101 WeakPolarHBondContact O-CB 3.49Å; R77-A101 HydrophobicContact CG-CB 4.41Å; A97-A101 VanDerWaalsContact O-CB 3.23Å; A97-A101 WeakPolarHBondContact O-CB 3.21Å; A97-A101 PolarHBondContact O-N 3.34Å; F98-A101 PolarHBondContact O-N 3.1Å; A101-H104 PolarHBondContact O-CE1 2.61Å; A101-H105 PolarHBondContact O-CD2 3.21Å; A101-H105 PolarHBondContact O-NE2 2.8Å
102F97.7Very high96.9Very high0 Ų039.6 Ų39.60%019%0.191CC..Hα-helixtrans-118.3-33.2-167.3-57.3-62.6000114.7L59 V73 F76 L83 I88 I93 F98 H104 H105 L107L59-F102 HydrophobicContact CD1-CE1 3.91Å; L59-F102 HydrophobicContact CD1-CZ 4.13Å; L59-F102 HydrophobicContact CD2-CE1 3.91Å; V73-F102 HydrophobicContact CB-CE2 4.34Å; V73-F102 HydrophobicContact CB-CZ 4.14Å; V73-F102 HydrophobicContact CG1-CE2 4.21Å; V73-F102 HydrophobicContact CG1-CZ 3.94Å; F76-F102 HydrophobicContact CB-CE1 4.35Å; L83-F102 HydrophobicContact CD1-CD1 3.78Å; L83-F102 HydrophobicContact CD1-CE1 3.95Å; I88-F102 HydrophobicContact CD1-CE2 4.37Å; I88-F102 HydrophobicContact CG2-CE1 3.95Å; I88-F102 HydrophobicContact CG2-CE2 4.11Å; I88-F102 HydrophobicContact CG2-CZ 3.63Å; I93-F102 HydrophobicContact CD1-CE2 3.88Å; F98-F102 HydrophobicContact CB-CD2 4.45Å; F98-F102 HydrophobicContact CD2-CB 4.34Å; F98-F102 AromaticContact CD2-CD2 3.47Å; F98-F102 HydrophobicContact CD2-CD2 3.47Å; F98-F102 VanDerWaalsContact CD2-CD2 3.47Å; F98-F102 HydrophobicContact CD2-CE2 4.22Å; F98-F102 HydrophobicContact CD2-CG 4.29Å; F98-F102 HydrophobicContact CE2-CB 4.1Å; F98-F102 AromaticContact CE2-CD2 3.92Å; F98-F102 HydrophobicContact CE2-CD2 3.92Å; F98-F102 HydrophobicContact CE2-CG 4.32Å; F98-F102 HydrophobicContact CG-CD2 4.18Å; F98-F102 HydrophobicContact CZ-CB 4.46Å; F98-F102 WeakPolarHBondContact O-CB 3.41Å; F98-F102 WeakPolarHBondContact O-CD2 3.42Å; F98-F102 PolarHBondContact O-N 3.38Å; F102-H104 VanDerWaalsContact C-N 3.34Å; F102-H104 PolarHBondContact O-N 2.88Å; F102-H105 WeakPolarHBondContact O-CB 3.38Å; F102-H105 PolarHBondContact O-N 3.28Å; F102-L107 HydrophobicContact CB-CD1 4.31Å
103C97.2Very high96.9Very high5 Ų533.6 Ų33.63%0.03417%0.166CC..THydrogen-bonded Turntrans-76.7-16-167.9-61.10000114.7F98 R99 H105 G127 N131F98-C103 VanDerWaalsContact CE1-SG 3.54Å; R99-C103 HydrophobicContact CG-CB 4.49Å; R99-C103 WeakPolarHBondContact O-CB 3.42Å; R99-C103 PolarHBondContact O-N 3.46Å; C103-H105 VanDerWaalsContact C-N 3.33Å; C103-G127 WeakPolarHBondContact CB-O 3.47Å; C103-G127 PolarHBondContact SG-O 2.93Å; C103-G127 VanDerWaalsContact SG-O 3.34Å; C103-N131 VanDerWaalsContact O-CB 3.29Å; C103-N131 WeakPolarHBondContact O-CB 3.4Å; C103-N131 PolarHBondContact O-ND2 3.3Å
104H96.1Very high96.8Very high74 Ų7434.3 Ų34.334%0.34317%0.174SC..THydrogen-bonded Turntrans-81.7-12174.166-77000113.4F76 G78 K100 A101 F102F76-H104 PolarHBondContact O-CE1 2.88Å; F76-H104 VanDerWaalsContact O-CE1 3.32Å; F76-H104 PolarHBondContact O-NE2 2.9Å; G78-H104 PolarHBondContact N-NE2 3.43Å; G78-H104 VanDerWaalsContact N-NE2 3.19Å; G78-H104 PolarHBondContact O-NE2 3.32Å; K100-H104 PolarHBondContact O-CE1 3.19Å; K100-H104 PolarHBondContact O-ND1 2.95Å; A101-H104 PolarHBondContact O-CE1 2.61Å; F102-H104 VanDerWaalsContact C-N 3.34Å; F102-H104 PolarHBondContact O-N 2.88Å
105H97.1Very high96.8Very high9 Ų933.1 Ų33.14%0.04217%0.165CC..SBendtrans-76.2170.7179-70.3-65.2000112.8F76 M81 L83 A101 F102 C103 L107 N131 I134F76-H105 PolarHBondContact O-CE1 2.91Å; F76-H105 PolarHBondContact O-NE2 3.33Å; M81-H105 PolarHBondContact O-CE1 3.43Å; L83-H105 HydrophobicContact CB-CB 4.22Å; L83-H105 PolarHBondContact N-ND1 3.33Å; A101-H105 PolarHBondContact O-CD2 3.21Å; A101-H105 PolarHBondContact O-NE2 2.8Å; F102-H105 WeakPolarHBondContact O-CB 3.38Å; F102-H105 PolarHBondContact O-N 3.28Å; C103-H105 VanDerWaalsContact C-N 3.33Å; H105-L107 HydrophobicContact CB-CD2 3.91Å; H105-L107 HydrophobicContact CB-CG 3.98Å; H105-L107 PolarHBondContact O-N 3.17Å; H105-N131 PolarHBondContact O-ND2 3.16Å; H105-N131 VanDerWaalsContact O-ND2 3.13Å; H105-I134 WeakPolarHBondContact O-CD1 3.26Å
106K96.8Very high96.2Very high131 Ų13136 Ų3657%0.5718%0.177SC*.  trans-99.164.1173.8-70-174.7178.9179.10110.1W133K106-W133 VanDerWaalsContact CA-CE3 3.41Å; K106-W133 HydrophobicContact CB-CD2 3.85Å; K106-W133 HydrophobicContact CB-CE3 3.64Å; K106-W133 HydrophobicContact CB-CH2 3.68Å; K106-W133 HydrophobicContact CB-CZ2 3.88Å; K106-W133 HydrophobicContact CB-CZ3 3.58Å; K106-W133 HydrophobicContact CD-CD2 4.17Å; K106-W133 HydrophobicContact CD-CG 4.44Å; K106-W133 HydrophobicContact CD-CZ2 4.25Å; K106-W133 HydrophobicContact CG-CD2 3.72Å; K106-W133 HydrophobicContact CG-CE3 3.96Å; K106-W133 HydrophobicContact CG-CG 4.12Å; K106-W133 HydrophobicContact CG-CZ2 4.31Å; K106-W133 HydrophobicContact CG-CZ3 4.38Å; K106-W133 WeakPolarHBondContact O-CH2 3.25Å; K106-W133 WeakPolarHBondContact O-CZ3 3.44Å
107L98.2Very high94.9Very high0 Ų034 Ų340%017%0.169CC..  trans-72.4125-176-60.4-178.9000112.7L83 A86 F102 H105 L128 W133 I134 L138L83-L107 HydrophobicContact CB-CD2 3.75Å; A86-L107 HydrophobicContact CB-CD1 4.27Å; A86-L107 HydrophobicContact CB-CD2 3.87Å; F102-L107 HydrophobicContact CB-CD1 4.31Å; H105-L107 HydrophobicContact CB-CD2 3.91Å; H105-L107 HydrophobicContact CB-CG 3.98Å; H105-L107 PolarHBondContact O-N 3.17Å; L107-L128 HydrophobicContact CD1-CD2 4.14Å; L107-W133 WeakPolarHBondContact O-CZ3 3.48Å; L107-I134 HydrophobicContact CB-CD1 4.36Å; L107-I134 HydrophobicContact CD1-CD1 4.5Å; L107-I134 HydrophobicContact CG-CD1 4.44Å; L107-L138 HydrophobicContact CB-CD1 4.21Å
108V98.5Very high94.2Very high16 Ų1641.6 Ų41.610%0.09721%0.21CC..SBendtrans-98-30.6171179.20000110.8K84 W133 Q139 C140K84-V108 HydrophobicContact CD-CG2 4.27Å; K84-V108 HydrophobicContact CG-CB 4.1Å; K84-V108 HydrophobicContact CG-CG2 3.72Å; K84-V108 PolarHBondContact O-N 3.24Å; V108-W133 HydrophobicContact CG2-CH2 3.75Å; V108-W133 HydrophobicContact CG2-CZ3 4.32Å; V108-Q139 HydrophobicContact CG1-CB 3.97Å; V108-Q139 HydrophobicContact CG1-CG 3.92Å; V108-Q139 PolarHBondContact O-N 2.9Å; V108-C140 PolarHBondContact O-N 3.35Å; V108-C140 VanDerWaalsContact O-N 3.15Å
109E98.7Very high93.9Very high60 Ų6042 Ų4228%0.2821%0.212SC..EExtended strand (participates in β ladder)trans-133.6136.1178.9-56.3177.5175.700109.6K84 R85 A86 C140K84-E109 PolarHBondContact O-N 2.92Å; R85-E109 HydrophobicContact CB-CB 4.35Å; R85-E109 WeakPolarHBondContact CD-OE2 3.47Å; R85-E109 HydrophobicContact CG-CB 4.19Å; R85-E109 HydrophobicContact CG-CG 4.26Å; R85-E109 WeakPolarHBondContact CG-OE2 3.11Å; R85-E109 IonicContact CZ-OE1 2.88Å; R85-E109 IonicContact CZ-OE2 2.84Å; R85-E109 IonicContact NE-OE2 2.99Å; R85-E109 VanDerWaalsContact NH1-CD 3.26Å; R85-E109 IonicContact NH1-OE1 2.63Å; R85-E109 PolarHBondContact NH1-OE1 3.03Å; R85-E109 IonicContact NH1-OE2 3.4Å; R85-E109 PolarHBondContact NH1-OE2 3.1Å; A86-E109 PolarHBondContact N-O 3.45Å; E109-C140 WeakPolarHBondContact CA-O 3.23Å; E109-C140 HydrophobicContact CB-CB 4.25Å; E109-C140 HydrophobicContact CG-CB 3.92Å
110L98.7Very high93.7Very high2 Ų238.1 Ų38.11%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-132.4122.6168.6176.367.4000109.8A86 I88 F98 A112 I124 L128 C140 L141 V142A86-L110 HydrophobicContact CB-CD1 3.65Å; A86-L110 CarbonylContact O-C 3.56Å; A86-L110 WeakPolarHBondContact O-CA 3.03Å; I88-L110 HydrophobicContact CD1-CD1 4.04Å; I88-L110 HydrophobicContact CG1-CD1 4.07Å; F98-L110 HydrophobicContact CE2-CD1 4.49Å; F98-L110 HydrophobicContact CE2-CD2 3.96Å; F98-L110 HydrophobicContact CZ-CD2 3.85Å; L110-A112 HydrophobicContact CD2-CB 4.45Å; L110-A112 HydrophobicContact CG-CB 4.36Å; L110-I124 HydrophobicContact CD2-CG2 3.97Å; L110-L128 HydrophobicContact CD2-CD1 3.79Å; L110-L128 HydrophobicContact CD2-CD2 4.23Å; L110-L128 HydrophobicContact CD2-CG 4.45Å; L110-C140 PolarHBondContact N-O 3.04Å; L110-L141 HydrophobicContact CB-CD1 4.03Å; L110-L141 HydrophobicContact CD2-CD1 3.89Å; L110-L141 HydrophobicContact CG-CD1 4.21Å; L110-L141 WeakPolarHBondContact O-CA 3.38Å; L110-V142 PolarHBondContact O-N 2.89Å
111D98.4Very high93.6Very high37 Ų3733 Ų3320%0.19818%0.178CC..EExtended strand (participates in β ladder)trans-107.8109.1164.5-177.8-2.4000110A86 I88 R89 T113 V142A86-D111 PolarHBondContact O-N 3.23Å; I88-D111 WeakPolarHBondContact CG1-O 3.47Å; I88-D111 PolarHBondContact N-O 2.89Å; R89-D111 VanDerWaalsContact CD-OD2 3.27Å; R89-D111 WeakPolarHBondContact CD-OD2 3.23Å; R89-D111 WeakPolarHBondContact CG-OD2 3.37Å; R89-D111 IonicContact NE-OD2 2.92Å; D111-T113 VanDerWaalsContact OD1-CB 3.24Å; D111-T113 WeakPolarHBondContact OD1-CB 3.29Å; D111-T113 PolarHBondContact OD1-N 3.14Å; D111-T113 PolarHBondContact OD1-OG1 3.37Å; D111-V142 HydrophobicContact CB-CB 4.24Å
112A98Very high93.4Very high0 Ų033.9 Ų33.90%018%0.183CC..  trans-110.220.7178.900000112.8I88 L110 G114 V115 I124 V142 L143 L146I88-A112 HydrophobicContact CD1-CB 4.15Å; I88-A112 HydrophobicContact CG1-CB 4.12Å; L110-A112 HydrophobicContact CD2-CB 4.45Å; L110-A112 HydrophobicContact CG-CB 4.36Å; A112-G114 PolarHBondContact O-N 3.26Å; A112-G114 VanDerWaalsContact O-N 3.16Å; A112-V115 HydrophobicContact CB-CG2 4.04Å; A112-V115 WeakPolarHBondContact O-CG2 3.42Å; A112-V115 PolarHBondContact O-N 3.01Å; A112-V115 VanDerWaalsContact O-N 3.15Å; A112-I124 HydrophobicContact CB-CD1 4.01Å; A112-V142 PolarHBondContact N-O 3Å; A112-L143 HydrophobicContact CB-CD2 4.34Å; A112-L146 HydrophobicContact CB-CD1 4.46Å; A112-L146 VanDerWaalsContact O-CD1 3.31Å; A112-L146 WeakPolarHBondContact O-CD1 3.09Å
113T96.1Very high93.2Very high15 Ų1536.2 Ų36.29%0.09220%0.195CC..THydrogen-bonded Turntrans-50.1121.8-177.2-61.70000112.5R89 K90 D111 V115 V142 N144R89-T113 CarbonylContact C-O 3.58Å; R89-T113 VanDerWaalsContact CA-O 3.24Å; R89-T113 WeakPolarHBondContact CA-O 3.46Å; K90-T113 PolarHBondContact N-O 2.95Å; D111-T113 VanDerWaalsContact OD1-CB 3.24Å; D111-T113 WeakPolarHBondContact OD1-CB 3.29Å; D111-T113 PolarHBondContact OD1-N 3.14Å; D111-T113 PolarHBondContact OD1-OG1 3.37Å; T113-V115 PolarHBondContact O-N 3.35Å; T113-V142 VanDerWaalsContact OG1-CG1 3.28Å; T113-V142 WeakPolarHBondContact OG1-CG1 3.31Å; T113-N144 CarbonylContact C-O 3.37Å; T113-N144 WeakPolarHBondContact CA-O 3.34Å; T113-N144 HydrophobicContact CG2-CB 3.88Å
114G94Very high93.1Very high16 Ų1636 Ų3617%0.16519%0.194CC..THydrogen-bonded Turntrans6517.1174.200000115.6K90 A112 N116 N144K90-G114 WeakPolarHBondContact CA-O 3.38Å; A112-G114 PolarHBondContact O-N 3.26Å; A112-G114 VanDerWaalsContact O-N 3.16Å; G114-N116 PolarHBondContact O-N 2.86Å; G114-N144 PolarHBondContact N-O 2.94Å
115V95.1Very high93Very high6 Ų632.4 Ų32.44%0.03618%0.178CC..  trans-57.2133.5169.1174.90000109I88 A91 I93 A112 T113 I119 L146I88-V115 HydrophobicContact CB-CG2 4.47Å; I88-V115 HydrophobicContact CD1-CG2 3.96Å; I88-V115 HydrophobicContact CG1-CG2 3.84Å; I88-V115 WeakPolarHBondContact O-CG2 3.25Å; A91-V115 HydrophobicContact CB-CG2 4.23Å; A91-V115 WeakPolarHBondContact O-CA 3.47Å; A91-V115 WeakPolarHBondContact O-CG1 3.34Å; I93-V115 HydrophobicContact CD1-CG1 4.27Å; I93-V115 HydrophobicContact CG1-CG1 3.68Å; A112-V115 HydrophobicContact CB-CG2 4.04Å; A112-V115 WeakPolarHBondContact O-CG2 3.42Å; A112-V115 PolarHBondContact O-N 3.01Å; A112-V115 VanDerWaalsContact O-N 3.15Å; T113-V115 PolarHBondContact O-N 3.35Å; V115-I119 HydrophobicContact CB-CG2 4.45Å; V115-I119 HydrophobicContact CG1-CG2 3.46Å; V115-I119 VanDerWaalsContact CG1-CG2 3.46Å; V115-L146 HydrophobicContact CB-CD2 4.29Å
116N82.9Confident92.8Very high85 Ų8533.6 Ų33.646%0.45519%0.187SC..BIsolated β-bridgetrans-139.6177.7179.859.431.7000111A91 K92 I93 G114A91-N116 PolarHBondContact O-N 3.17Å; A91-N116 VanDerWaalsContact O-O 3.12Å; K92-N116 CarbonylContact C-O 3.54Å; K92-N116 VanDerWaalsContact CA-O 3.22Å; K92-N116 WeakPolarHBondContact CA-O 3.33Å; K92-N116 WeakPolarHBondContact CG-OD1 3.42Å; I93-N116 PolarHBondContact N-O 2.83Å; G114-N116 PolarHBondContact O-N 2.86Å
117A66.4Low92.8Very high44 Ų4427.4 Ų27.436%0.36416%0.16SC..SBendtrans94.648.4-162.100000114.4I119A117-I119 VanDerWaalsContact C-N 3.29Å; A117-I119 PolarHBondContact O-N 3.24Å
118D82.4Confident92.7Very high162 Ų16227.4 Ų27.487%0.86616%0.16SC*.SBendtrans72.33.9172.4-48.3-35.7000117.1
119I91.7Very high92.6Very high9 Ų927 Ų275%0.04616%0.159CC..  trans-79.3129.5172.4-169174.4000111.8I93 A95 F98 V115 A117 D123 I124I93-I119 WeakPolarHBondContact O-CG2 3.35Å; A95-I119 HydrophobicContact CB-CG1 4.13Å; F98-I119 HydrophobicContact CB-CD1 3.5Å; F98-I119 HydrophobicContact CD1-CD1 4.11Å; F98-I119 HydrophobicContact CD2-CD1 4.25Å; F98-I119 HydrophobicContact CG-CD1 3.69Å; V115-I119 HydrophobicContact CB-CG2 4.45Å; V115-I119 HydrophobicContact CG1-CG2 3.46Å; V115-I119 VanDerWaalsContact CG1-CG2 3.46Å; A117-I119 VanDerWaalsContact C-N 3.29Å; A117-I119 PolarHBondContact O-N 3.24Å; I119-D123 HydrophobicContact CG1-CB 3.79Å; I119-I124 HydrophobicContact CD1-CD1 4.2Å; I119-I124 HydrophobicContact CD1-CG1 3.56Å; I119-I124 HydrophobicContact CG1-CD1 4.44Å; I119-I124 HydrophobicContact CG1-CG1 3.92Å
120T92.1Very high92.4Very high23 Ų2327.6 Ų27.614%0.14117%0.17CC..  trans-100.3167.9177.5680000112.4T122 D123 I124 T147T120-T122 PolarHBondContact O-N 3.06Å; T120-T122 PolarHBondContact OG1-N 2.98Å; T120-D123 WeakPolarHBondContact CB-OD2 3.25Å; T120-D123 PolarHBondContact N-OD2 3.2Å; T120-D123 WeakPolarHBondContact O-CB 3.2Å; T120-D123 PolarHBondContact O-N 3.1Å; T120-D123 VanDerWaalsContact OG1-CG 3.3Å; T120-D123 PolarHBondContact OG1-N 3.37Å; T120-D123 VanDerWaalsContact OG1-N 3.15Å; T120-D123 PolarHBondContact OG1-OD2 3.36Å; T120-I124 PolarHBondContact O-N 3.46Å; T120-I124 VanDerWaalsContact O-N 3.15Å; T120-T147 WeakPolarHBondContact CA-O 3.25Å; T120-T147 WeakPolarHBondContact CB-O 3.41Å
121I93.6Very high92.3Very high0 Ų029 Ų290%018%0.177CC..Hα-helixtrans-56.5-41.5169.5-70.2171.8000111D123 I124 I125 L143 L146 T147 L148 F158 I169 V172I121-D123 VanDerWaalsContact C-N 3.33Å; I121-D123 PolarHBondContact O-N 2.82Å; I121-I124 PolarHBondContact O-N 2.96Å; I121-I125 HydrophobicContact CG2-CD1 3.49Å; I121-I125 VanDerWaalsContact CG2-CD1 3.49Å; I121-I125 HydrophobicContact CG2-CG1 4.28Å; I121-I125 WeakPolarHBondContact O-CG1 3.49Å; I121-I125 PolarHBondContact O-N 3.09Å; I121-L143 HydrophobicContact CD1-CB 4.42Å; I121-L143 HydrophobicContact CG1-CB 4.34Å; I121-L143 HydrophobicContact CG2-CD1 3.87Å; I121-L146 HydrophobicContact CD1-CB 4Å; I121-L146 HydrophobicContact CG1-CB 3.63Å; I121-T147 PolarHBondContact N-O 3.36Å; I121-L148 HydrophobicContact CB-CD1 3.76Å; I121-L148 HydrophobicContact CD1-CB 4.24Å; I121-L148 HydrophobicContact CD1-CD1 4.27Å; I121-L148 HydrophobicContact CG2-CD1 3.62Å; I121-F158 HydrophobicContact CG2-CZ 4.01Å; I121-I169 HydrophobicContact CD1-CD1 3.89Å; I121-I169 HydrophobicContact CD1-CG1 4.43Å; I121-V172 HydrophobicContact CD1-CB 4.49Å; I121-V172 HydrophobicContact CD1-CG1 3.6Å; I121-V172 HydrophobicContact CD1-CG2 4.06Å
122T92Very high92.2Very high17 Ų1735 Ų3510%0.10420%0.201CC..Hα-helixtrans-61.8-41.3178.9-48.80000111.3T120 I125 S126T120-T122 PolarHBondContact O-N 3.06Å; T120-T122 PolarHBondContact OG1-N 2.98Å; T122-I125 PolarHBondContact O-N 3.35Å; T122-S126 WeakPolarHBondContact O-CB 3.31Å; T122-S126 PolarHBondContact O-N 3.15Å
123D92.8Very high92.2Very high49 Ų4938.6 Ų38.626%0.26222%0.215SC..Hα-helixtrans-61.8-44.8175.6-67.5-56.8000112.4A95 I119 T120 I121 G127A95-D123 HydrophobicContact CB-CB 3.8Å; I119-D123 HydrophobicContact CG1-CB 3.79Å; T120-D123 WeakPolarHBondContact CB-OD2 3.25Å; T120-D123 PolarHBondContact N-OD2 3.2Å; T120-D123 WeakPolarHBondContact O-CB 3.2Å; T120-D123 PolarHBondContact O-N 3.1Å; T120-D123 VanDerWaalsContact OG1-CG 3.3Å; T120-D123 PolarHBondContact OG1-N 3.37Å; T120-D123 VanDerWaalsContact OG1-N 3.15Å; T120-D123 PolarHBondContact OG1-OD2 3.36Å; I121-D123 VanDerWaalsContact C-N 3.33Å; I121-D123 PolarHBondContact O-N 2.82Å; D123-G127 PolarHBondContact O-N 2.95Å
124I95.4Very high92.3Very high0 Ų037.9 Ų37.90%021%0.211CC..Hα-helixtrans-62-51178.9-69171.7000109.6F98 L110 A112 I119 T120 I121 S126 G127 L128 L143 L146F98-I124 HydrophobicContact CD1-CG1 4.49Å; F98-I124 HydrophobicContact CE1-CB 4.25Å; F98-I124 HydrophobicContact CE1-CG1 4.28Å; F98-I124 HydrophobicContact CE1-CG2 4.08Å; F98-I124 HydrophobicContact CE2-CG2 4.45Å; F98-I124 HydrophobicContact CZ-CB 4.34Å; F98-I124 HydrophobicContact CZ-CG1 4.32Å; F98-I124 HydrophobicContact CZ-CG2 3.76Å; L110-I124 HydrophobicContact CD2-CG2 3.97Å; A112-I124 HydrophobicContact CB-CD1 4.01Å; I119-I124 HydrophobicContact CD1-CD1 4.2Å; I119-I124 HydrophobicContact CD1-CG1 3.56Å; I119-I124 HydrophobicContact CG1-CD1 4.44Å; I119-I124 HydrophobicContact CG1-CG1 3.92Å; T120-I124 PolarHBondContact O-N 3.46Å; T120-I124 VanDerWaalsContact O-N 3.15Å; I121-I124 PolarHBondContact O-N 2.96Å; I124-S126 PolarHBondContact O-N 2.88Å; I124-G127 PolarHBondContact O-N 3.2Å; I124-L128 HydrophobicContact CG2-CD1 3.73Å; I124-L128 HydrophobicContact CG2-CG 4.33Å; I124-L128 WeakPolarHBondContact O-CB 3.36Å; I124-L128 VanDerWaalsContact O-CG 3.25Å; I124-L128 WeakPolarHBondContact O-CG 3.43Å; I124-L128 PolarHBondContact O-N 3.02Å; I124-L143 HydrophobicContact CB-CD2 4.4Å; I124-L143 HydrophobicContact CD1-CD2 3.94Å; I124-L143 HydrophobicContact CG2-CD2 3.94Å; I124-L146 HydrophobicContact CD1-CD2 3.7Å
125I95Very high92.5Very high0 Ų040 Ų400%022%0.216CC..Hα-helixtrans-66.7-40.8-177.8-64.8168.5000111.2I121 T122 G127 L128 G129 L143 C157 F158 L161I121-I125 HydrophobicContact CG2-CD1 3.49Å; I121-I125 VanDerWaalsContact CG2-CD1 3.49Å; I121-I125 HydrophobicContact CG2-CG1 4.28Å; I121-I125 WeakPolarHBondContact O-CG1 3.49Å; I121-I125 PolarHBondContact O-N 3.09Å; T122-I125 PolarHBondContact O-N 3.35Å; I125-G127 VanDerWaalsContact C-N 3.34Å; I125-L128 PolarHBondContact O-N 3.33Å; I125-G129 WeakPolarHBondContact O-CA 3.41Å; I125-G129 PolarHBondContact O-N 3.07Å; I125-L143 HydrophobicContact CD1-CD1 4.23Å; I125-L143 HydrophobicContact CG1-CD1 4.42Å; I125-C157 HydrophobicContact CB-CB 4.18Å; I125-C157 WeakPolarHBondContact CD1-SG 3.47Å; I125-C157 VanDerWaalsContact CG2-C 3.49Å; I125-C157 HydrophobicContact CG2-CB 3.65Å; I125-C157 WeakPolarHBondContact CG2-O 3.28Å; I125-F158 HydrophobicContact CD1-CD1 3.59Å; I125-F158 HydrophobicContact CD1-CD2 4.2Å; I125-F158 HydrophobicContact CD1-CE1 3.31Å; I125-F158 HydrophobicContact CD1-CE2 3.96Å; I125-F158 HydrophobicContact CD1-CG 4.03Å; I125-F158 HydrophobicContact CD1-CZ 3.51Å; I125-F158 HydrophobicContact CG1-CE1 4.47Å; I125-L161 HydrophobicContact CG1-CD1 4.44Å; I125-L161 HydrophobicContact CG2-CD1 4.15Å; I125-L161 HydrophobicContact CG2-CG 4.41Å
126S93.1Very high92.6Very high34 Ų3445 Ų4524%0.23824%0.24CC..Hα-helixtrans-61.3-42.8173.8178.60000111.7T122 I124 S130T122-S126 WeakPolarHBondContact O-CB 3.31Å; T122-S126 PolarHBondContact O-N 3.15Å; I124-S126 PolarHBondContact O-N 2.88Å; S126-S130 PolarHBondContact O-N 2.9Å; S126-S130 VanDerWaalsContact O-N 3.13Å
127G95.3Very high93.3Very high0 Ų043.5 Ų43.50%023%0.231CC..Hα-helixtrans-60.9-54.5174.600000112.2C103 D123 I124 I125 G129 S130C103-G127 WeakPolarHBondContact CB-O 3.47Å; C103-G127 PolarHBondContact SG-O 2.93Å; C103-G127 VanDerWaalsContact SG-O 3.34Å; D123-G127 PolarHBondContact O-N 2.95Å; I124-G127 PolarHBondContact O-N 3.2Å; I125-G127 VanDerWaalsContact C-N 3.34Å; G127-G129 VanDerWaalsContact C-N 3.31Å; G127-G129 PolarHBondContact O-N 2.95Å; G127-S130 WeakPolarHBondContact O-CB 3.25Å; G127-S130 PolarHBondContact O-N 2.75Å; G127-S130 VanDerWaalsContact O-N 3.1Å; G127-S130 PolarHBondContact O-OG 2.86Å
128L97.2Very high94.9Very high0 Ų041.5 Ų41.50%021%0.214CC..Hα-helixtrans-60.5-42.9178.4-69.3172.2000111.5F98 L107 L110 I124 I125 S130 N131 I134 L138 L141 L161F98-L128 HydrophobicContact CE1-CG 4.33Å; F98-L128 HydrophobicContact CZ-CD2 4.1Å; F98-L128 HydrophobicContact CZ-CG 4.1Å; L107-L128 HydrophobicContact CD1-CD2 4.14Å; L110-L128 HydrophobicContact CD2-CD1 3.79Å; L110-L128 HydrophobicContact CD2-CD2 4.23Å; L110-L128 HydrophobicContact CD2-CG 4.45Å; I124-L128 HydrophobicContact CG2-CD1 3.73Å; I124-L128 HydrophobicContact CG2-CG 4.33Å; I124-L128 WeakPolarHBondContact O-CB 3.36Å; I124-L128 VanDerWaalsContact O-CG 3.25Å; I124-L128 WeakPolarHBondContact O-CG 3.43Å; I124-L128 PolarHBondContact O-N 3.02Å; I125-L128 PolarHBondContact O-N 3.33Å; L128-S130 PolarHBondContact O-N 3.21Å; L128-N131 PolarHBondContact O-N 2.88Å; L128-N131 VanDerWaalsContact O-N 3.14Å; L128-I134 HydrophobicContact CB-CG2 3.89Å; L128-I134 HydrophobicContact CD2-CD1 4.02Å; L128-I134 HydrophobicContact CD2-CG2 3.99Å; L128-I134 HydrophobicContact CG-CG2 4.48Å; L128-L138 HydrophobicContact CD1-CD2 3.99Å; L128-L141 HydrophobicContact CD1-CD1 4.12Å; L128-L161 HydrophobicContact CB-CD2 4.22Å
129G95Very high95.6Very high8 Ų837.8 Ų37.88%0.08219%0.192CC..Hα-helixtrans-65.2-12176.500000114I125 G127 N131 Q135I125-G129 WeakPolarHBondContact O-CA 3.41Å; I125-G129 PolarHBondContact O-N 3.07Å; G127-G129 VanDerWaalsContact C-N 3.31Å; G127-G129 PolarHBondContact O-N 2.95Å; G129-N131 PolarHBondContact O-N 2.92Å; G129-Q135 PolarHBondContact O-NE2 3.36Å
130S95.3Very high96Very high72 Ų7239.1 Ų39.150%0.50320%0.202SC..THydrogen-bonded Turntrans-73.7-17.1172.672.30000113.3S126 G127 L128S126-S130 PolarHBondContact O-N 2.9Å; S126-S130 VanDerWaalsContact O-N 3.13Å; G127-S130 WeakPolarHBondContact O-CB 3.25Å; G127-S130 PolarHBondContact O-N 2.75Å; G127-S130 VanDerWaalsContact O-N 3.1Å; G127-S130 PolarHBondContact O-OG 2.86Å; L128-S130 PolarHBondContact O-N 3.21Å
131N96.4Very high96.3Very high31 Ų3138 Ų3817%0.16620%0.195CC..  trans-106111.7-179.6-177.4-22.5000110.9C103 H105 L128 G129 W133 I134 Q135C103-N131 VanDerWaalsContact O-CB 3.29Å; C103-N131 WeakPolarHBondContact O-CB 3.4Å; C103-N131 PolarHBondContact O-ND2 3.3Å; H105-N131 PolarHBondContact O-ND2 3.16Å; H105-N131 VanDerWaalsContact O-ND2 3.13Å; L128-N131 PolarHBondContact O-N 2.88Å; L128-N131 VanDerWaalsContact O-N 3.14Å; G129-N131 PolarHBondContact O-N 2.92Å; N131-W133 PolarHBondContact O-N 2.83Å; N131-W133 VanDerWaalsContact O-N 3.13Å; N131-W133 VanDerWaalsContact OD1-CB 3.28Å; N131-W133 WeakPolarHBondContact OD1-CB 3.4Å; N131-W133 PolarHBondContact OD1-N 3Å; N131-I134 HydrophobicContact CB-CB 4.14Å; N131-I134 HydrophobicContact CB-CD1 3.94Å; N131-I134 HydrophobicContact CB-CG1 3.97Å; N131-I134 PolarHBondContact O-N 3.05Å; N131-Q135 WeakPolarHBondContact O-CG 3.35Å; N131-Q135 PolarHBondContact O-N 3.42Å
132K97.1Very high96.5Very high163 Ų16339.2 Ų39.271%0.70920%0.202SC*.Hα-helixtrans-54.4-33.1179.3-69.5-172.3178.8-177.40113.5
133W97.9Very high96.8Very high77 Ų7738.4 Ų38.429%0.29220%0.197SC..Hα-helixtrans-67.7-46.3177.9-168.793000110.6K106 L107 V108 N131 Q135 Q136 N137K106-W133 VanDerWaalsContact CA-CE3 3.41Å; K106-W133 HydrophobicContact CB-CD2 3.85Å; K106-W133 HydrophobicContact CB-CE3 3.64Å; K106-W133 HydrophobicContact CB-CH2 3.68Å; K106-W133 HydrophobicContact CB-CZ2 3.88Å; K106-W133 HydrophobicContact CB-CZ3 3.58Å; K106-W133 HydrophobicContact CD-CD2 4.17Å; K106-W133 HydrophobicContact CD-CG 4.44Å; K106-W133 HydrophobicContact CD-CZ2 4.25Å; K106-W133 HydrophobicContact CG-CD2 3.72Å; K106-W133 HydrophobicContact CG-CE3 3.96Å; K106-W133 HydrophobicContact CG-CG 4.12Å; K106-W133 HydrophobicContact CG-CZ2 4.31Å; K106-W133 HydrophobicContact CG-CZ3 4.38Å; K106-W133 WeakPolarHBondContact O-CH2 3.25Å; K106-W133 WeakPolarHBondContact O-CZ3 3.44Å; L107-W133 WeakPolarHBondContact O-CZ3 3.48Å; V108-W133 HydrophobicContact CG2-CH2 3.75Å; V108-W133 HydrophobicContact CG2-CZ3 4.32Å; N131-W133 PolarHBondContact O-N 2.83Å; N131-W133 VanDerWaalsContact O-N 3.13Å; N131-W133 VanDerWaalsContact OD1-CB 3.28Å; N131-W133 WeakPolarHBondContact OD1-CB 3.4Å; N131-W133 PolarHBondContact OD1-N 3Å; W133-Q135 PolarHBondContact O-N 3.38Å; W133-Q136 PolarHBondContact O-N 2.83Å; W133-N137 HydrophobicContact CD2-CB 4.01Å; W133-N137 HydrophobicContact CE3-CB 3.8Å; W133-N137 HydrophobicContact CH2-CB 3.6Å; W133-N137 HydrophobicContact CZ2-CB 3.81Å; W133-N137 HydrophobicContact CZ3-CB 3.56Å; W133-N137 VanDerWaalsContact O-CB 3.28Å; W133-N137 WeakPolarHBondContact O-CB 3.5Å; W133-N137 PolarHBondContact O-N 3.43Å; W133-N137 PolarHBondContact O-ND2 3.13Å
134I98.1Very high96.9Very high0 Ų037.1 Ų37.10%019%0.19CC..Hα-helixtrans-62.2-44178.2-64.8-178.6000110.6H105 L107 L128 N131 Q136 N137 L138 L161H105-I134 WeakPolarHBondContact O-CD1 3.26Å; L107-I134 HydrophobicContact CB-CD1 4.36Å; L107-I134 HydrophobicContact CD1-CD1 4.5Å; L107-I134 HydrophobicContact CG-CD1 4.44Å; L128-I134 HydrophobicContact CB-CG2 3.89Å; L128-I134 HydrophobicContact CD2-CD1 4.02Å; L128-I134 HydrophobicContact CD2-CG2 3.99Å; L128-I134 HydrophobicContact CG-CG2 4.48Å; N131-I134 HydrophobicContact CB-CB 4.14Å; N131-I134 HydrophobicContact CB-CD1 3.94Å; N131-I134 HydrophobicContact CB-CG1 3.97Å; N131-I134 PolarHBondContact O-N 3.05Å; I134-Q136 PolarHBondContact O-N 3.06Å; I134-N137 PolarHBondContact O-N 3.38Å; I134-N137 VanDerWaalsContact O-N 3.16Å; I134-L138 HydrophobicContact CG2-CB 3.87Å; I134-L138 HydrophobicContact CG2-CD1 4.48Å; I134-L138 HydrophobicContact CG2-CD2 4.22Å; I134-L138 HydrophobicContact CG2-CG 4.43Å; I134-L138 VanDerWaalsContact O-CB 3.29Å; I134-L138 WeakPolarHBondContact O-CB 3.35Å; I134-L138 PolarHBondContact O-N 2.87Å; I134-L161 HydrophobicContact CG2-CD2 4.5Å
135Q97.3Very high96.9Very high59 Ų5939.8 Ų39.828%0.27621%0.209SC..Hα-helixtrans-50-35177.6-68.317719.400113.7G129 N131 W133 R160 L161 S162 G163G129-Q135 PolarHBondContact O-NE2 3.36Å; N131-Q135 WeakPolarHBondContact O-CG 3.35Å; N131-Q135 PolarHBondContact O-N 3.42Å; W133-Q135 PolarHBondContact O-N 3.38Å; Q135-R160 VanDerWaalsContact CB-O 3.32Å; Q135-R160 WeakPolarHBondContact CB-O 3.28Å; Q135-R160 WeakPolarHBondContact CG-O 3.46Å; Q135-L161 CarbonylContact O-C 3.46Å; Q135-S162 PolarHBondContact O-N 3.05Å; Q135-S162 PolarHBondContact O-OG 2.92Å; Q135-G163 PolarHBondContact O-N 3.33Å
136Q97.7Very high96.8Very high113 Ų11340.3 Ų40.353%0.52821%0.212SC..Hα-helixtrans-100-19.9-175.3-64.1177.2-5.500113.9W133 I134 G163 R187W133-Q136 PolarHBondContact O-N 2.83Å; I134-Q136 PolarHBondContact O-N 3.06Å; Q136-G163 VanDerWaalsContact O-CA 3.32Å; Q136-G163 WeakPolarHBondContact O-CA 3.35Å; Q136-R187 PolarHBondContact O-NH1 3.37Å
137N98.3Very high96.6Very high53 Ų5343.1 Ų43.128%0.28323%0.228SC..Hα-helixtrans-125.7-10-166.7-63.2-81.4000115W133 I134 Q139W133-N137 HydrophobicContact CD2-CB 4.01Å; W133-N137 HydrophobicContact CE3-CB 3.8Å; W133-N137 HydrophobicContact CH2-CB 3.6Å; W133-N137 HydrophobicContact CZ2-CB 3.81Å; W133-N137 HydrophobicContact CZ3-CB 3.56Å; W133-N137 VanDerWaalsContact O-CB 3.28Å; W133-N137 WeakPolarHBondContact O-CB 3.5Å; W133-N137 PolarHBondContact O-N 3.43Å; W133-N137 PolarHBondContact O-ND2 3.13Å; I134-N137 PolarHBondContact O-N 3.38Å; I134-N137 VanDerWaalsContact O-N 3.16Å; N137-Q139 PolarHBondContact O-N 2.82Å
138L98.5Very high96.1Very high1 Ų144.3 Ų44.31%0.00523%0.234CC..  trans-65.6119.9169.3-171.572.9000108.4L107 L128 I134 L141 L161 G163 L164L107-L138 HydrophobicContact CB-CD1 4.21Å; L128-L138 HydrophobicContact CD1-CD2 3.99Å; I134-L138 HydrophobicContact CG2-CB 3.87Å; I134-L138 HydrophobicContact CG2-CD1 4.48Å; I134-L138 HydrophobicContact CG2-CD2 4.22Å; I134-L138 HydrophobicContact CG2-CG 4.43Å; I134-L138 VanDerWaalsContact O-CB 3.29Å; I134-L138 WeakPolarHBondContact O-CB 3.35Å; I134-L138 PolarHBondContact O-N 2.87Å; L138-L141 HydrophobicContact CD2-CB 4.29Å; L138-L141 HydrophobicContact CD2-CD1 4.47Å; L138-L141 HydrophobicContact CD2-CD2 4.31Å; L138-L161 HydrophobicContact CD2-CD1 4.08Å; L138-L161 HydrophobicContact CD2-CD2 4.28Å; L138-G163 CarbonylContact O-C 3.58Å; L138-G163 VanDerWaalsContact O-O 3.13Å; L138-L164 HydrophobicContact CD2-CD1 4.3Å; L138-L164 HydrophobicContact CG-CD1 4.31Å; L138-L164 VanDerWaalsContact O-CA 3.25Å; L138-L164 WeakPolarHBondContact O-CA 3.09Å; L138-L164 PolarHBondContact O-N 3.45Å
139Q98.6Very high95Very high85 Ų8545.9 Ų45.940%0.39725%0.245SC..  trans-105.1-37.3-175-68.217620.700112.1V108 N137 R165 A166V108-Q139 HydrophobicContact CG1-CB 3.97Å; V108-Q139 HydrophobicContact CG1-CG 3.92Å; V108-Q139 PolarHBondContact O-N 2.9Å; N137-Q139 PolarHBondContact O-N 2.82Å; Q139-R165 CarbonylContact O-C 3.51Å; Q139-R165 WeakPolarHBondContact O-CA 3.26Å; Q139-R165 PolarHBondContact O-N 3.03Å; Q139-A166 PolarHBondContact O-N 2.56Å
140C98.8Very high93.4Very high37 Ų3751.7 Ų51.725%0.2527%0.273CS..EExtended strand (participates in β ladder)trans-125.3129.6-179.1-1720000110.7V108 E109 L110 A166V108-C140 PolarHBondContact O-N 3.35Å; V108-C140 VanDerWaalsContact O-N 3.15Å; E109-C140 WeakPolarHBondContact CA-O 3.23Å; E109-C140 HydrophobicContact CB-CB 4.25Å; E109-C140 HydrophobicContact CG-CB 3.92Å; L110-C140 PolarHBondContact N-O 3.04Å; C140-A166 WeakPolarHBondContact CA-O 3.4Å; C140-A166 HydrophobicContact CB-CB 4.33Å
141L98.7Very high91.8Very high0 Ų057.2 Ų57.20%029%0.291CS..EExtended strand (participates in β ladder)trans-134.1121176.9-178.557.1000109.5L110 L128 L138 L143 L161 L164 A166 L167 S168L110-L141 HydrophobicContact CB-CD1 4.03Å; L110-L141 HydrophobicContact CD2-CD1 3.89Å; L110-L141 HydrophobicContact CG-CD1 4.21Å; L110-L141 WeakPolarHBondContact O-CA 3.38Å; L128-L141 HydrophobicContact CD1-CD1 4.12Å; L138-L141 HydrophobicContact CD2-CB 4.29Å; L138-L141 HydrophobicContact CD2-CD1 4.47Å; L138-L141 HydrophobicContact CD2-CD2 4.31Å; L141-L143 HydrophobicContact CD1-CD1 4.36Å; L141-L143 HydrophobicContact CD1-CD2 4.05Å; L141-L143 HydrophobicContact CD1-CG 4Å; L141-L143 HydrophobicContact CD2-CD1 3.72Å; L141-L143 HydrophobicContact CD2-CG 4.26Å; L141-L143 HydrophobicContact CG-CD1 3.82Å; L141-L143 HydrophobicContact CG-CD2 4.39Å; L141-L143 HydrophobicContact CG-CG 3.82Å; L141-L161 HydrophobicContact CD2-CD1 3.65Å; L141-L164 HydrophobicContact CB-CD1 3.57Å; L141-L164 HydrophobicContact CB-CD2 4.33Å; L141-L164 HydrophobicContact CD2-CD2 4.49Å; L141-A166 PolarHBondContact N-O 3.46Å; L141-L167 HydrophobicContact CB-CD1 4.2Å; L141-L167 HydrophobicContact CD2-CD1 4.29Å; L141-L167 HydrophobicContact CG-CD1 4.19Å; L141-L167 WeakPolarHBondContact O-CA 3.43Å; L141-S168 PolarHBondContact O-N 3.42Å
142V98.4Very high90Very high24 Ų2459.5 Ų59.515%0.14530%0.303CS..EExtended strand (participates in β ladder)trans-114.8116.7176.7-174.70000108.7L110 D111 A112 T113 N144L110-V142 PolarHBondContact O-N 2.89Å; D111-V142 HydrophobicContact CB-CB 4.24Å; A112-V142 PolarHBondContact N-O 3Å; T113-V142 VanDerWaalsContact OG1-CG1 3.28Å; T113-V142 WeakPolarHBondContact OG1-CG1 3.31Å; V142-N144 HydrophobicContact CG1-CB 4.32Å; V142-N144 WeakPolarHBondContact CG1-ND2 3.49Å
143L97.1Very high87.9Confident0 Ų056.2 Ų56.20%030%0.298CS..  trans-124.535.6-174-67.1169.1000111.2A112 I121 I124 I125 L141 L146 F158 L167 S168 V172A112-L143 HydrophobicContact CB-CD2 4.34Å; I121-L143 HydrophobicContact CD1-CB 4.42Å; I121-L143 HydrophobicContact CG1-CB 4.34Å; I121-L143 HydrophobicContact CG2-CD1 3.87Å; I124-L143 HydrophobicContact CB-CD2 4.4Å; I124-L143 HydrophobicContact CD1-CD2 3.94Å; I124-L143 HydrophobicContact CG2-CD2 3.94Å; I125-L143 HydrophobicContact CD1-CD1 4.23Å; I125-L143 HydrophobicContact CG1-CD1 4.42Å; L141-L143 HydrophobicContact CD1-CD1 4.36Å; L141-L143 HydrophobicContact CD1-CD2 4.05Å; L141-L143 HydrophobicContact CD1-CG 4Å; L141-L143 HydrophobicContact CD2-CD1 3.72Å; L141-L143 HydrophobicContact CD2-CG 4.26Å; L141-L143 HydrophobicContact CG-CD1 3.82Å; L141-L143 HydrophobicContact CG-CD2 4.39Å; L141-L143 HydrophobicContact CG-CG 3.82Å; L143-L146 VanDerWaalsContact CA-CD1 3.46Å; L143-L146 HydrophobicContact CB-CD1 4.02Å; L143-L146 HydrophobicContact CD2-CD1 4.1Å; L143-L146 WeakPolarHBondContact O-CD1 3.39Å; L143-F158 HydrophobicContact CD1-CE1 4.06Å; L143-F158 HydrophobicContact CD1-CZ 4.45Å; L143-L167 HydrophobicContact CD1-CD1 4.24Å; L143-S168 PolarHBondContact N-O 3.03Å; L143-V172 WeakPolarHBondContact O-CG2 3.33Å
144N96.1Very high85.8Confident23 Ų2361.9 Ų61.912%0.12332%0.321CS..THydrogen-bonded Turntrans-70.5141.2-175.4-62.6-11.1000111.3T113 G114 V142 L146 S168 I169 T170T113-N144 CarbonylContact C-O 3.37Å; T113-N144 WeakPolarHBondContact CA-O 3.34Å; T113-N144 HydrophobicContact CG2-CB 3.88Å; G114-N144 PolarHBondContact N-O 2.94Å; V142-N144 HydrophobicContact CG1-CB 4.32Å; V142-N144 WeakPolarHBondContact CG1-ND2 3.49Å; N144-L146 VanDerWaalsContact C-N 3.27Å; N144-L146 PolarHBondContact O-N 3.45Å; N144-S168 VanDerWaalsContact CG-OG 3.28Å; N144-S168 PolarHBondContact ND2-OG 3.21Å; N144-S168 VanDerWaalsContact ND2-OG 3.08Å; N144-S168 PolarHBondContact OD1-O 3.22Å; N144-S168 PolarHBondContact OD1-OG 3.33Å; N144-I169 PolarHBondContact OD1-N 3.25Å; N144-T170 CarbonylContact C-O 3.52Å; N144-T170 WeakPolarHBondContact CA-O 3.47Å; N144-T170 VanDerWaalsContact CB-OG1 3.3Å; N144-T170 WeakPolarHBondContact CB-OG1 3.32Å; N144-T170 PolarHBondContact ND2-OG1 3.03Å; N144-T170 PolarHBondContact OD1-N 3.44Å; N144-T170 PolarHBondContact OD1-OG1 3.01Å
145S94.2Very high84.2Confident56 Ų5666.3 Ų66.339%0.39234%0.342SS..THydrogen-bonded Turntrans55.837.3175.8-54.80000114.3T170 N171S145-T170 PolarHBondContact N-O 3.15Å; S145-N171 PolarHBondContact OG-ND2 2.92Å
146L93.1Very high83.1Confident11 Ų1171.5 Ų71.56%0.05836%0.359CS..  trans-108.9162.9169.3-75.7121000110.9A112 V115 I121 I124 L143 N144 V172A112-L146 HydrophobicContact CB-CD1 4.46Å; A112-L146 VanDerWaalsContact O-CD1 3.31Å; A112-L146 WeakPolarHBondContact O-CD1 3.09Å; V115-L146 HydrophobicContact CB-CD2 4.29Å; I121-L146 HydrophobicContact CD1-CB 4Å; I121-L146 HydrophobicContact CG1-CB 3.63Å; I124-L146 HydrophobicContact CD1-CD2 3.7Å; L143-L146 VanDerWaalsContact CA-CD1 3.46Å; L143-L146 HydrophobicContact CB-CD1 4.02Å; L143-L146 HydrophobicContact CD2-CD1 4.1Å; L143-L146 WeakPolarHBondContact O-CD1 3.39Å; N144-L146 VanDerWaalsContact C-N 3.27Å; N144-L146 PolarHBondContact O-N 3.45Å; L146-V172 WeakPolarHBondContact O-CG2 3.48Å
147T90Very high82.5Confident93 Ų9366.3 Ų66.357%0.57134%0.335SS*.PPolyproline II helixtrans-86.6127.4171.6-54.60000110.1T120 I121T120-T147 WeakPolarHBondContact CA-O 3.25Å; T120-T147 WeakPolarHBondContact CB-O 3.41Å; I121-T147 PolarHBondContact N-O 3.36Å
148L84.3Confident82.2Confident25 Ų2563.9 Ų63.913%0.13132%0.322CS..PPolyproline II helixtrans-79.6129.4162.7-168.664.4000107.5I121 L150 V172I121-L148 HydrophobicContact CB-CD1 3.76Å; I121-L148 HydrophobicContact CD1-CB 4.24Å; I121-L148 HydrophobicContact CD1-CD1 4.27Å; I121-L148 HydrophobicContact CG2-CD1 3.62Å; L148-L150 PolarHBondContact O-N 3.45Å; L148-V172 HydrophobicContact CB-CG1 4.18Å
149S74.5Confident81.9Confident33 Ų3367 Ų6723%0.23134%0.344CS..PPolyproline II helixtrans-57.5132.1-175.8-176.50000110.9E151S149-E151 PolarHBondContact OG-N 3.19Å
150L60.2Low81.6Confident130 Ų13067.6 Ų67.668%0.68134%0.343SS*.SBendtrans-88.4-16.9178.4-66.2172.1000112.7L148 D152L148-L150 PolarHBondContact O-N 3.45Å; L150-D152 VanDerWaalsContact C-N 3.34Å; L150-D152 PolarHBondContact O-N 3.32Å
151E63Low81.5Confident187 Ų18765.9 Ų65.987%0.87433%0.331SS*.SBendtrans-74.5-25.6-170-65.8-173.3168.400112.8S149S149-E151 PolarHBondContact OG-N 3.19Å
152D57.7Low81.3Confident79 Ų7968 Ų6842%0.42235%0.346SS..  trans-141.580.9173.8-155.2-15.3000111.2L150 Y154 E155L150-D152 VanDerWaalsContact C-N 3.34Å; L150-D152 PolarHBondContact O-N 3.32Å; D152-Y154 PolarHBondContact O-N 2.9Å; D152-Y154 PolarHBondContact OD1-N 3.3Å; D152-E155 HydrophobicContact CB-CG 4.31Å; D152-E155 PolarHBondContact O-N 3.38Å; D152-E155 VanDerWaalsContact O-N 3.15Å
153P53.9Low81.3Confident94 Ų9466.9 Ų66.961%0.6134%0.339SS*.THydrogen-bonded Turntrans-62.3-3.2177.324.9-32.2000113.2
154Y52.7Low81.4Confident197 Ų19766.9 Ų66.977%0.77334%0.339SS*.THydrogen-bonded Turntrans-100.4-6.3178.8-59.2-80.6000114D152 R156D152-Y154 PolarHBondContact O-N 2.9Å; D152-Y154 PolarHBondContact OD1-N 3.3Å; Y154-R156 PolarHBondContact O-N 3.25Å
155E64.5Low81.5Confident93 Ų9370.3 Ų70.344%0.43535%0.35SS..  trans-74.475.9171.8-83.4-149144.200111.3D152 C157D152-E155 HydrophobicContact CB-CG 4.31Å; D152-E155 PolarHBondContact O-N 3.38Å; D152-E155 VanDerWaalsContact O-N 3.15Å; E155-C157 PolarHBondContact O-N 3.5Å
156R73.7Confident81.7Confident168 Ų16868.8 Ų68.863%0.63434%0.341SS*.  trans-56.997.2165.7-69.9-174.9-171.9-1580.5109.8Y154 E181Y154-R156 PolarHBondContact O-N 3.25Å; R156-E181 WeakPolarHBondContact CA-OE1 3.3Å; R156-E181 WeakPolarHBondContact CA-OE2 3.26Å; R156-E181 VanDerWaalsContact CB-CD 3.45Å; R156-E181 HydrophobicContact CB-CG 4.28Å; R156-E181 WeakPolarHBondContact CB-OE1 3.29Å; R156-E181 WeakPolarHBondContact CB-OE2 3.19Å; R156-E181 HydrophobicContact CG-CG 4.47Å
157C86Confident82Confident3 Ų368.5 Ų68.52%0.0234%0.34CS..  trans-106.5-25.1-169.858.80000113.1I125 E155 S159 R160 E181I125-C157 HydrophobicContact CB-CB 4.18Å; I125-C157 WeakPolarHBondContact CD1-SG 3.47Å; I125-C157 VanDerWaalsContact CG2-C 3.49Å; I125-C157 HydrophobicContact CG2-CB 3.65Å; I125-C157 WeakPolarHBondContact CG2-O 3.28Å; E155-C157 PolarHBondContact O-N 3.5Å; C157-S159 VanDerWaalsContact C-N 3.29Å; C157-S159 PolarHBondContact O-N 3.15Å; C157-R160 WeakPolarHBondContact O-CB 3.46Å; C157-R160 WeakPolarHBondContact O-CG 3.38Å; C157-R160 PolarHBondContact O-N 3.49Å; C157-E181 PolarHBondContact N-OE1 3.14Å; C157-E181 VanDerWaalsContact N-OE1 3.11Å; C157-E181 PolarHBondContact N-OE2 3.14Å
158F92.7Very high82.4Confident2 Ų264.9 Ų64.91%0.00932%0.318CS..G310 helixtrans-61.5-36.9-177.3-72.2-80.4000112.4I121 I125 L143 R160 L161 L167 I169 F174 E181 V182 L185I121-F158 HydrophobicContact CG2-CZ 4.01Å; I125-F158 HydrophobicContact CD1-CD1 3.59Å; I125-F158 HydrophobicContact CD1-CD2 4.2Å; I125-F158 HydrophobicContact CD1-CE1 3.31Å; I125-F158 HydrophobicContact CD1-CE2 3.96Å; I125-F158 HydrophobicContact CD1-CG 4.03Å; I125-F158 HydrophobicContact CD1-CZ 3.51Å; I125-F158 HydrophobicContact CG1-CE1 4.47Å; L143-F158 HydrophobicContact CD1-CE1 4.06Å; L143-F158 HydrophobicContact CD1-CZ 4.45Å; F158-R160 PolarHBondContact O-N 2.83Å; F158-L161 PolarHBondContact O-N 2.82Å; F158-L167 HydrophobicContact CD1-CD2 4.06Å; F158-L167 HydrophobicContact CE1-CD1 4.07Å; F158-L167 HydrophobicContact CE1-CD2 3.82Å; F158-I169 HydrophobicContact CZ-CD1 3.78Å; F158-F174 HydrophobicContact CE2-CE2 4.05Å; F158-F174 HydrophobicContact CZ-CE2 4.21Å; F158-E181 HydrophobicContact CB-CG 4.34Å; F158-E181 PolarHBondContact N-OE1 3.24Å; F158-V182 HydrophobicContact CB-CG2 4.24Å; F158-V182 HydrophobicContact CD1-CG2 4.05Å; F158-V182 HydrophobicContact CD2-CG2 3.96Å; F158-V182 HydrophobicContact CE1-CG2 4.4Å; F158-V182 HydrophobicContact CE2-CG2 4.33Å; F158-V182 HydrophobicContact CG-CG2 3.82Å; F158-L185 WeakPolarHBondContact O-CD2 3.12Å
159S91.8Very high83Confident68 Ų6863.7 Ų63.748%0.47631%0.312SS..G310 helixtrans-52.5-22178.657.90000114.5C157 L161 E181C157-S159 VanDerWaalsContact C-N 3.29Å; C157-S159 PolarHBondContact O-N 3.15Å; S159-L161 PolarHBondContact O-N 3.21Å; S159-E181 PolarHBondContact N-OE1 2.99Å; S159-E181 PolarHBondContact OG-OE1 2.82Å
160R91.8Very high84Confident96 Ų9663.2 Ų63.236%0.36231%0.308SS..G310 helixtrans-67.3-20.7174.7-60.1179.5-175.2174.76.1113.3Q135 C157 F158 S162Q135-R160 VanDerWaalsContact CB-O 3.32Å; Q135-R160 WeakPolarHBondContact CB-O 3.28Å; Q135-R160 WeakPolarHBondContact CG-O 3.46Å; C157-R160 WeakPolarHBondContact O-CB 3.46Å; C157-R160 WeakPolarHBondContact O-CG 3.38Å; C157-R160 PolarHBondContact O-N 3.49Å; F158-R160 PolarHBondContact O-N 2.83Å; R160-S162 PolarHBondContact O-N 3.03Å
161L96.4Very high85.6Confident1 Ų160.4 Ų60.41%0.00529%0.293CS..  trans-101.158.8-175-57.4177.8000111.5I125 L128 I134 Q135 L138 L141 F158 S159 G163 L164I125-L161 HydrophobicContact CG1-CD1 4.44Å; I125-L161 HydrophobicContact CG2-CD1 4.15Å; I125-L161 HydrophobicContact CG2-CG 4.41Å; L128-L161 HydrophobicContact CB-CD2 4.22Å; I134-L161 HydrophobicContact CG2-CD2 4.5Å; Q135-L161 CarbonylContact O-C 3.46Å; L138-L161 HydrophobicContact CD2-CD1 4.08Å; L138-L161 HydrophobicContact CD2-CD2 4.28Å; L141-L161 HydrophobicContact CD2-CD1 3.65Å; F158-L161 PolarHBondContact O-N 2.82Å; S159-L161 PolarHBondContact O-N 3.21Å; L161-G163 PolarHBondContact O-N 3.07Å; L161-L164 HydrophobicContact CB-CB 4.28Å; L161-L164 VanDerWaalsContact O-CB 3.23Å; L161-L164 WeakPolarHBondContact O-CB 3.2Å; L161-L164 PolarHBondContact O-N 3.4Å
162S96.2Very high87Confident45 Ų4551.8 Ų51.832%0.31525%0.254SS..THydrogen-bonded Turntrans-54.5-23.3-179.265.70000115.5Q135 R160 L164Q135-S162 PolarHBondContact O-N 3.05Å; Q135-S162 PolarHBondContact O-OG 2.92Å; R160-S162 PolarHBondContact O-N 3.03Å; S162-L164 VanDerWaalsContact C-N 3.33Å
163G97.7Very high88.7Confident0 Ų052.3 Ų52.30%026%0.256CS..THydrogen-bonded Turntrans-76.3-14.9177.300000115.2Q135 Q136 L138 L161 R165Q135-G163 PolarHBondContact O-N 3.33Å; Q136-G163 VanDerWaalsContact O-CA 3.32Å; Q136-G163 WeakPolarHBondContact O-CA 3.35Å; L138-G163 CarbonylContact O-C 3.58Å; L138-G163 VanDerWaalsContact O-O 3.13Å; L161-G163 PolarHBondContact O-N 3.07Å; G163-R165 PolarHBondContact O-N 3.3Å
164L98.5Very high90.5Very high0 Ų047.9 Ų47.90%023%0.227CC..  trans-67.9128.6-165.1-164.468.6000112.2L138 L141 L161 S162 L167 L185 R187 L188L138-L164 HydrophobicContact CD2-CD1 4.3Å; L138-L164 HydrophobicContact CG-CD1 4.31Å; L138-L164 VanDerWaalsContact O-CA 3.25Å; L138-L164 WeakPolarHBondContact O-CA 3.09Å; L138-L164 PolarHBondContact O-N 3.45Å; L141-L164 HydrophobicContact CB-CD1 3.57Å; L141-L164 HydrophobicContact CB-CD2 4.33Å; L141-L164 HydrophobicContact CD2-CD2 4.49Å; L161-L164 HydrophobicContact CB-CB 4.28Å; L161-L164 VanDerWaalsContact O-CB 3.23Å; L161-L164 WeakPolarHBondContact O-CB 3.2Å; L161-L164 PolarHBondContact O-N 3.4Å; S162-L164 VanDerWaalsContact C-N 3.33Å; L164-L167 HydrophobicContact CD2-CB 4Å; L164-L167 HydrophobicContact CD2-CD1 4.22Å; L164-L167 HydrophobicContact CD2-CG 4.48Å; L164-L185 HydrophobicContact CB-CD1 4.41Å; L164-L185 HydrophobicContact CD2-CD1 3.96Å; L164-R187 CarbonylContact O-C 2.91Å; L164-L188 PolarHBondContact O-N 2.93Å
165R98.7Very high92.4Very high95 Ų9543.1 Ų43.136%0.35821%0.209SC..  trans-111.9-35179.9-65.1-178.2-177.3-111.46.5112.7Q139 G163 R187 E189 S190Q139-R165 CarbonylContact O-C 3.51Å; Q139-R165 WeakPolarHBondContact O-CA 3.26Å; Q139-R165 PolarHBondContact O-N 3.03Å; G163-R165 PolarHBondContact O-N 3.3Å; R165-R187 WeakPolarHBondContact CA-O 3.41Å; R165-R187 HydrophobicContact CG-CB 4.24Å; R165-E189 IonicContact CZ-OE1 2.72Å; R165-E189 IonicContact NH1-OE1 3.76Å; R165-E189 PolarHBondContact NH1-OE1 2.9Å; R165-E189 PolarHBondContact O-N 2.73Å; R165-S190 PolarHBondContact O-N 2.71Å
166A98.8Very high93.8Very high25 Ų2540.7 Ų40.721%0.20720%0.199CC..EExtended strand (participates in β ladder)trans-127124.5179.500000109.9Q139 C140 L141 S190Q139-A166 PolarHBondContact O-N 2.56Å; C140-A166 WeakPolarHBondContact CA-O 3.4Å; C140-A166 HydrophobicContact CB-CB 4.33Å; L141-A166 PolarHBondContact N-O 3.46Å; A166-S190 WeakPolarHBondContact CA-O 3.46Å
167L98.7Very high94.7Very high4 Ų438.7 Ų38.72%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-124.7130.9172.6179.263.2000109.5L141 L143 F158 L164 V182 L188 S190 L191 D192L141-L167 HydrophobicContact CB-CD1 4.2Å; L141-L167 HydrophobicContact CD2-CD1 4.29Å; L141-L167 HydrophobicContact CG-CD1 4.19Å; L141-L167 WeakPolarHBondContact O-CA 3.43Å; L143-L167 HydrophobicContact CD1-CD1 4.24Å; F158-L167 HydrophobicContact CD1-CD2 4.06Å; F158-L167 HydrophobicContact CE1-CD1 4.07Å; F158-L167 HydrophobicContact CE1-CD2 3.82Å; L164-L167 HydrophobicContact CD2-CB 4Å; L164-L167 HydrophobicContact CD2-CD1 4.22Å; L164-L167 HydrophobicContact CD2-CG 4.48Å; L167-V182 HydrophobicContact CD2-CB 4.25Å; L167-V182 HydrophobicContact CD2-CG1 3.64Å; L167-V182 HydrophobicContact CD2-CG2 3.51Å; L167-L188 HydrophobicContact CB-CD1 4.15Å; L167-S190 PolarHBondContact N-O 3.43Å; L167-L191 HydrophobicContact CB-CD1 4.13Å; L167-L191 HydrophobicContact CD2-CD1 4.25Å; L167-L191 HydrophobicContact CG-CD1 4.34Å; L167-L191 WeakPolarHBondContact O-CA 3.18Å; L167-D192 PolarHBondContact O-N 3.05Å
168S98.4Very high95Very high17 Ų1739.8 Ų39.812%0.11920%0.202CC..EExtended strand (participates in β ladder)trans-121.4124.2169.11760000109L141 L143 N144L141-S168 PolarHBondContact O-N 3.42Å; L143-S168 PolarHBondContact N-O 3.03Å; N144-S168 VanDerWaalsContact CG-OG 3.28Å; N144-S168 PolarHBondContact ND2-OG 3.21Å; N144-S168 VanDerWaalsContact ND2-OG 3.08Å; N144-S168 PolarHBondContact OD1-O 3.22Å; N144-S168 PolarHBondContact OD1-OG 3.33Å
169I96.4Very high95.1Very high0 Ų039.7 Ų39.70%020%0.201CC..  trans-135.453.3-176.7-169.8143.9000111.2I121 N144 F158 V172 F174 D192 I193 T196I121-I169 HydrophobicContact CD1-CD1 3.89Å; I121-I169 HydrophobicContact CD1-CG1 4.43Å; N144-I169 PolarHBondContact OD1-N 3.25Å; F158-I169 HydrophobicContact CZ-CD1 3.78Å; I169-V172 HydrophobicContact CD1-CG1 4.34Å; I169-V172 HydrophobicContact CG1-CB 3.82Å; I169-V172 HydrophobicContact CG1-CG1 4.04Å; I169-V172 HydrophobicContact CG1-CG2 3.8Å; I169-F174 HydrophobicContact CD1-CD2 3.34Å; I169-F174 HydrophobicContact CD1-CE2 3.57Å; I169-F174 HydrophobicContact CD1-CG 4.29Å; I169-F174 HydrophobicContact CG1-CD2 3.81Å; I169-F174 HydrophobicContact CG1-CE2 4.3Å; I169-F174 HydrophobicContact CG1-CG 4.31Å; I169-F174 HydrophobicContact CG2-CD1 4.35Å; I169-F174 HydrophobicContact CG2-CD2 4.11Å; I169-F174 HydrophobicContact CG2-CE1 4.38Å; I169-F174 HydrophobicContact CG2-CE2 4.13Å; I169-F174 HydrophobicContact CG2-CG 4.21Å; I169-F174 HydrophobicContact CG2-CZ 4.28Å; I169-D192 PolarHBondContact N-O 2.92Å; I169-I193 HydrophobicContact CG2-CG2 4.02Å; I169-T196 VanDerWaalsContact O-CG2 3.26Å; I169-T196 WeakPolarHBondContact O-CG2 3.37Å
170T95.6Very high95.3Very high24 Ų2438.6 Ų38.615%0.14720%0.196CC..THydrogen-bonded Turntrans-82.5147.7-173.572.70000112.7N144 S145 V172 D192 S194N144-T170 CarbonylContact C-O 3.52Å; N144-T170 WeakPolarHBondContact CA-O 3.47Å; N144-T170 VanDerWaalsContact CB-OG1 3.3Å; N144-T170 WeakPolarHBondContact CB-OG1 3.32Å; N144-T170 PolarHBondContact ND2-OG1 3.03Å; N144-T170 PolarHBondContact OD1-N 3.44Å; N144-T170 PolarHBondContact OD1-OG1 3.01Å; S145-T170 PolarHBondContact N-O 3.15Å; T170-V172 VanDerWaalsContact C-N 3.29Å; T170-V172 WeakPolarHBondContact O-CG2 3.2Å; T170-V172 PolarHBondContact O-N 3.37Å; T170-D192 HydrophobicContact CG2-CB 4.32Å; T170-D192 VanDerWaalsContact CG2-CG 3.42Å; T170-D192 VanDerWaalsContact CG2-OD1 3.23Å; T170-D192 WeakPolarHBondContact CG2-OD1 3.47Å; T170-S194 WeakPolarHBondContact CA-O 3.42Å; T170-S194 WeakPolarHBondContact CB-O 3.45Å
171N94.1Very high95.4Very high70 Ų7034.5 Ų34.537%0.37418%0.181SC..THydrogen-bonded Turntrans55.343.6-180-169.944.4000112.7S145 S194 N195S145-N171 PolarHBondContact OG-ND2 2.92Å; N171-S194 PolarHBondContact N-O 3.32Å; N171-S194 VanDerWaalsContact N-O 3.11Å; N171-N195 HydrophobicContact CB-CB 4.48Å; N171-N195 PolarHBondContact OD1-ND2 2.77Å; N171-N195 VanDerWaalsContact OD1-ND2 3.14Å
172V93.5Very high95.4Very high6 Ų634.4 Ų34.44%0.03618%0.181CC..SBendtrans-122.9147.5177.3177.80000108.9I121 L143 L146 L148 I169 T170 F174I121-V172 HydrophobicContact CD1-CB 4.49Å; I121-V172 HydrophobicContact CD1-CG1 3.6Å; I121-V172 HydrophobicContact CD1-CG2 4.06Å; L143-V172 WeakPolarHBondContact O-CG2 3.33Å; L146-V172 WeakPolarHBondContact O-CG2 3.48Å; L148-V172 HydrophobicContact CB-CG1 4.18Å; I169-V172 HydrophobicContact CD1-CG1 4.34Å; I169-V172 HydrophobicContact CG1-CB 3.82Å; I169-V172 HydrophobicContact CG1-CG1 4.04Å; I169-V172 HydrophobicContact CG1-CG2 3.8Å; T170-V172 VanDerWaalsContact C-N 3.29Å; T170-V172 WeakPolarHBondContact O-CG2 3.2Å; T170-V172 PolarHBondContact O-N 3.37Å; V172-F174 HydrophobicContact CB-CB 4.43Å; V172-F174 HydrophobicContact CG1-CB 4.29Å; V172-F174 PolarHBondContact O-N 3.23Å
173L92Very high95.4Very high91 Ų9132.3 Ų32.348%0.47617%0.166SC..  trans-70.675.2167.6-65.8178.9000109.9Y175L173-Y175 HydrophobicContact CB-CE2 4.15Å; L173-Y175 WeakPolarHBondContact O-CE2 3.38Å
174F92.5Very high95.4Very high0 Ų035.6 Ų35.60%019%0.189CC..  trans-112.4128.4-177.1-169.4-90.7000108.9F158 I169 V172 D178 L179 V182 I193 T196 S197 I198F158-F174 HydrophobicContact CE2-CE2 4.05Å; F158-F174 HydrophobicContact CZ-CE2 4.21Å; I169-F174 HydrophobicContact CD1-CD2 3.34Å; I169-F174 HydrophobicContact CD1-CE2 3.57Å; I169-F174 HydrophobicContact CD1-CG 4.29Å; I169-F174 HydrophobicContact CG1-CD2 3.81Å; I169-F174 HydrophobicContact CG1-CE2 4.3Å; I169-F174 HydrophobicContact CG1-CG 4.31Å; I169-F174 HydrophobicContact CG2-CD1 4.35Å; I169-F174 HydrophobicContact CG2-CD2 4.11Å; I169-F174 HydrophobicContact CG2-CE1 4.38Å; I169-F174 HydrophobicContact CG2-CE2 4.13Å; I169-F174 HydrophobicContact CG2-CG 4.21Å; I169-F174 HydrophobicContact CG2-CZ 4.28Å; V172-F174 HydrophobicContact CB-CB 4.43Å; V172-F174 HydrophobicContact CG1-CB 4.29Å; V172-F174 PolarHBondContact O-N 3.23Å; F174-D178 HydrophobicContact CD1-CB 4.05Å; F174-D178 HydrophobicContact CD2-CB 3.58Å; F174-D178 HydrophobicContact CE1-CB 3.77Å; F174-D178 HydrophobicContact CE2-CB 3.28Å; F174-D178 HydrophobicContact CG-CB 3.96Å; F174-D178 VanDerWaalsContact CZ-C 3.4Å; F174-D178 HydrophobicContact CZ-CB 3.38Å; F174-L179 HydrophobicContact CE1-CB 3.98Å; F174-L179 HydrophobicContact CE1-CD1 4.43Å; F174-V182 HydrophobicContact CE2-CG2 4.25Å; F174-V182 HydrophobicContact CZ-CB 4.37Å; F174-V182 HydrophobicContact CZ-CG2 3.77Å; F174-I193 HydrophobicContact CE1-CG2 4.27Å; F174-T196 HydrophobicContact CB-CG2 3.81Å; F174-S197 CarbonylContact O-C 3.44Å; F174-S197 WeakPolarHBondContact O-CA 3.29Å; F174-S197 PolarHBondContact O-N 2.89Å; F174-S197 VanDerWaalsContact O-N 3.09Å; F174-I198 HydrophobicContact CD1-CD1 3.85Å; F174-I198 HydrophobicContact CD1-CG1 4.14Å; F174-I198 HydrophobicContact CE1-CD1 4.15Å; F174-I198 PolarHBondContact O-N 3.2Å
175Y92.8Very high95.3Very high98 Ų9835.7 Ų35.738%0.38419%0.19SC..  trans-115.8-176.8-169.2-58.8-85000112.2L173 E177 D178 L179L173-Y175 HydrophobicContact CB-CE2 4.15Å; L173-Y175 WeakPolarHBondContact O-CE2 3.38Å; Y175-E177 VanDerWaalsContact C-N 3.31Å; Y175-E177 PolarHBondContact O-N 2.72Å; Y175-D178 PolarHBondContact N-OD2 3.07Å; Y175-D178 PolarHBondContact O-N 3.42Å; Y175-L179 PolarHBondContact O-N 3.5Å
176N94.2Very high95.2Very high42 Ų4235.3 Ų35.323%0.22520%0.199CC..Hα-helixtrans-66.5-34-175.3-63.2-20.8000112.2L179 A180 T199 D200N176-L179 WeakPolarHBondContact O-CB 3.21Å; N176-L179 PolarHBondContact O-N 3.48Å; N176-A180 PolarHBondContact O-N 3.06Å; N176-T199 PolarHBondContact ND2-OG1 3.1Å; N176-T199 PolarHBondContact OD1-N 3.47Å; N176-D200 PolarHBondContact OD1-N 3.02Å; N176-D200 VanDerWaalsContact OD1-N 3.09Å; N176-D200 PolarHBondContact OD1-O 2.55Å
177E91.7Very high95.1Very high125 Ų12539.8 Ų39.858%0.58421%0.211SC*.Hα-helixtrans-66-41.7178.2-64.274.5-16600111.1Y175 A180 E181Y175-E177 VanDerWaalsContact C-N 3.31Å; Y175-E177 PolarHBondContact O-N 2.72Å; E177-A180 PolarHBondContact O-N 3.14Å; E177-E181 PolarHBondContact O-N 2.95Å; E177-E181 VanDerWaalsContact O-N 3.07Å
178D92.4Very high95.1Very high26 Ų2639.6 Ų39.614%0.13921%0.21CC..Hα-helixtrans-66.2-41.2175.4-50.2-59.2000110.7F174 Y175 A180 E181 V182F174-D178 HydrophobicContact CD1-CB 4.05Å; F174-D178 HydrophobicContact CD2-CB 3.58Å; F174-D178 HydrophobicContact CE1-CB 3.77Å; F174-D178 HydrophobicContact CE2-CB 3.28Å; F174-D178 HydrophobicContact CG-CB 3.96Å; F174-D178 VanDerWaalsContact CZ-C 3.4Å; F174-D178 HydrophobicContact CZ-CB 3.38Å; Y175-D178 PolarHBondContact N-OD2 3.07Å; Y175-D178 PolarHBondContact O-N 3.42Å; D178-A180 VanDerWaalsContact C-N 3.31Å; D178-A180 PolarHBondContact O-N 3.42Å; D178-E181 PolarHBondContact O-N 3.4Å; D178-V182 PolarHBondContact O-N 3.46Å
179L95.8Very high95.1Very high0 Ų041 Ų410%022%0.215CC..Hα-helixtrans-59.7-42.7174.5-177.864.6000111.4F174 Y175 N176 E181 V182 A183 L191 I193 I198 A203 L204F174-L179 HydrophobicContact CE1-CB 3.98Å; F174-L179 HydrophobicContact CE1-CD1 4.43Å; Y175-L179 PolarHBondContact O-N 3.5Å; N176-L179 WeakPolarHBondContact O-CB 3.21Å; N176-L179 PolarHBondContact O-N 3.48Å; L179-E181 VanDerWaalsContact C-N 3.33Å; L179-E181 PolarHBondContact O-N 2.89Å; L179-V182 PolarHBondContact O-N 2.63Å; L179-A183 WeakPolarHBondContact O-CB 3.37Å; L179-A183 PolarHBondContact O-N 3.39Å; L179-L191 HydrophobicContact CD1-CD2 3.82Å; L179-I193 HydrophobicContact CD1-CD1 4.45Å; L179-I193 HydrophobicContact CD1-CG2 4.28Å; L179-I198 HydrophobicContact CB-CD1 4.24Å; L179-I198 HydrophobicContact CB-CG1 4.49Å; L179-I198 HydrophobicContact CD1-CD1 4.17Å; L179-I198 HydrophobicContact CD2-CD1 4.06Å; L179-I198 HydrophobicContact CD2-CG1 4.48Å; L179-I198 HydrophobicContact CD2-CG2 4.05Å; L179-I198 HydrophobicContact CG-CD1 4.39Å; L179-A203 HydrophobicContact CD2-CB 4.03Å; L179-A203 HydrophobicContact CG-CB 3.98Å; L179-L204 HydrophobicContact CD1-CD2 3.79Å; L179-L204 HydrophobicContact CD1-CG 4.47Å; L179-L204 HydrophobicContact CD2-CG 4.39Å; L179-L204 HydrophobicContact CG-CD2 4.46Å
180A95.4Very high95.2Very high45 Ų4542.9 Ų42.937%0.37223%0.228SC..Hα-helixtrans-63.5-38.2176.600000112.2N176 E177 D178 S184 A203N176-A180 PolarHBondContact O-N 3.06Å; E177-A180 PolarHBondContact O-N 3.14Å; D178-A180 VanDerWaalsContact C-N 3.31Å; D178-A180 PolarHBondContact O-N 3.42Å; A180-S184 PolarHBondContact O-N 3.35Å; A180-A203 HydrophobicContact CB-CB 4.07Å
181E93.9Very high95.4Very high10 Ų1041.7 Ų41.75%0.04722%0.221CC..Hα-helixtrans-64.7-50.9173.9-167.7-167.6175.400111.3R156 C157 F158 S159 E177 D178 L179 A183 S184R156-E181 WeakPolarHBondContact CA-OE1 3.3Å; R156-E181 WeakPolarHBondContact CA-OE2 3.26Å; R156-E181 VanDerWaalsContact CB-CD 3.45Å; R156-E181 HydrophobicContact CB-CG 4.28Å; R156-E181 WeakPolarHBondContact CB-OE1 3.29Å; R156-E181 WeakPolarHBondContact CB-OE2 3.19Å; R156-E181 HydrophobicContact CG-CG 4.47Å; C157-E181 PolarHBondContact N-OE1 3.14Å; C157-E181 VanDerWaalsContact N-OE1 3.11Å; C157-E181 PolarHBondContact N-OE2 3.14Å; F158-E181 HydrophobicContact CB-CG 4.34Å; F158-E181 PolarHBondContact N-OE1 3.24Å; S159-E181 PolarHBondContact N-OE1 2.99Å; S159-E181 PolarHBondContact OG-OE1 2.82Å; E177-E181 PolarHBondContact O-N 2.95Å; E177-E181 VanDerWaalsContact O-N 3.07Å; D178-E181 PolarHBondContact O-N 3.4Å; L179-E181 VanDerWaalsContact C-N 3.33Å; L179-E181 PolarHBondContact O-N 2.89Å; E181-A183 VanDerWaalsContact C-N 3.31Å; E181-A183 PolarHBondContact O-N 3.07Å; E181-S184 VanDerWaalsContact O-CB 3.32Å; E181-S184 WeakPolarHBondContact O-CB 3.31Å; E181-S184 PolarHBondContact O-N 3Å; E181-S184 PolarHBondContact O-OG 2.69Å
182V96.2Very high95.6Very high0 Ų039.9 Ų39.90%021%0.211CC..Hα-helixtrans-60.6-42179.2165.60000111.2F158 L167 F174 D178 L179 S184 L185 L188 L191F158-V182 HydrophobicContact CB-CG2 4.24Å; F158-V182 HydrophobicContact CD1-CG2 4.05Å; F158-V182 HydrophobicContact CD2-CG2 3.96Å; F158-V182 HydrophobicContact CE1-CG2 4.4Å; F158-V182 HydrophobicContact CE2-CG2 4.33Å; F158-V182 HydrophobicContact CG-CG2 3.82Å; L167-V182 HydrophobicContact CD2-CB 4.25Å; L167-V182 HydrophobicContact CD2-CG1 3.64Å; L167-V182 HydrophobicContact CD2-CG2 3.51Å; F174-V182 HydrophobicContact CE2-CG2 4.25Å; F174-V182 HydrophobicContact CZ-CB 4.37Å; F174-V182 HydrophobicContact CZ-CG2 3.77Å; D178-V182 PolarHBondContact O-N 3.46Å; L179-V182 PolarHBondContact O-N 2.63Å; V182-S184 PolarHBondContact O-N 3.35Å; V182-S184 VanDerWaalsContact O-N 3.11Å; V182-L185 HydrophobicContact CG1-CD1 4.41Å; V182-L185 VanDerWaalsContact O-CB 3.28Å; V182-L185 WeakPolarHBondContact O-CB 3.38Å; V182-L185 WeakPolarHBondContact O-CG 3.32Å; V182-L185 PolarHBondContact O-N 2.7Å; V182-L188 HydrophobicContact CG1-CD2 3.62Å; V182-L188 WeakPolarHBondContact O-CD2 3.19Å; V182-L191 HydrophobicContact CG1-CD1 3.76Å; V182-L191 HydrophobicContact CG1-CD2 4.25Å
183A97.2Very high95.8Very high0 Ų039.6 Ų39.60%021%0.209CC..THydrogen-bonded Turntrans-68.1-4.6175.700000113.5L179 E181 A203 A206 R210L179-A183 WeakPolarHBondContact O-CB 3.37Å; L179-A183 PolarHBondContact O-N 3.39Å; E181-A183 VanDerWaalsContact C-N 3.31Å; E181-A183 PolarHBondContact O-N 3.07Å; A183-A203 VanDerWaalsContact CB-O 3.23Å; A183-A203 WeakPolarHBondContact CB-O 3.43Å; A183-A206 HydrophobicContact CB-CB 4.2Å; A183-A206 CarbonylContact O-C 3.41Å; A183-A206 WeakPolarHBondContact O-CB 3.39Å; A183-R210 PolarHBondContact O-NH2 2.8Å
184S96Very high96.1Very high69 Ų6935.5 Ų35.548%0.48319%0.188SC..THydrogen-bonded Turntrans-90.2-11.916979.80000113.9A180 E181 V182A180-S184 PolarHBondContact O-N 3.35Å; E181-S184 VanDerWaalsContact O-CB 3.32Å; E181-S184 WeakPolarHBondContact O-CB 3.31Å; E181-S184 PolarHBondContact O-N 3Å; E181-S184 PolarHBondContact O-OG 2.69Å; V182-S184 PolarHBondContact O-N 3.35Å; V182-S184 VanDerWaalsContact O-N 3.11Å
185L96.7Very high96.2Very high2 Ų237.4 Ų37.41%0.0120%0.199CC..  trans-63.7124-177-72171.5000112.2F158 L164 V182 R187 L188 R210F158-L185 WeakPolarHBondContact O-CD2 3.12Å; L164-L185 HydrophobicContact CB-CD1 4.41Å; L164-L185 HydrophobicContact CD2-CD1 3.96Å; V182-L185 HydrophobicContact CG1-CD1 4.41Å; V182-L185 VanDerWaalsContact O-CB 3.28Å; V182-L185 WeakPolarHBondContact O-CB 3.38Å; V182-L185 WeakPolarHBondContact O-CG 3.32Å; V182-L185 PolarHBondContact O-N 2.7Å; L185-R187 PolarHBondContact O-N 3.21Å; L185-L188 HydrophobicContact CB-CB 4.06Å; L185-L188 PolarHBondContact O-N 2.86Å; L185-R210 PolarHBondContact O-NE 3.37Å; L185-R210 PolarHBondContact O-NH2 2.55Å
186P96.6Very high96.3Very high87 Ų8732.8 Ų32.857%0.56518%0.181SC*.THydrogen-bonded Turntrans-68.4-16.7-163.626.8-36.3000114.8
187R97.9Very high96.3Very high119 Ų11931.6 Ų31.645%0.44918%0.175SC..THydrogen-bonded Turntrans-120.47.5-175.8-66.2-176.7176.6171.61114Q136 L164 R165 L185 E189Q136-R187 PolarHBondContact O-NH1 3.37Å; L164-R187 CarbonylContact O-C 2.91Å; R165-R187 WeakPolarHBondContact CA-O 3.41Å; R165-R187 HydrophobicContact CG-CB 4.24Å; L185-R187 PolarHBondContact O-N 3.21Å; R187-E189 PolarHBondContact O-N 2.57Å
188L98.4Very high96.5Very high0 Ų025.6 Ų25.60%015%0.147CC..  trans-64.9121.4-176.8-171.772.8000111L164 L167 V182 L185 L191 R210L164-L188 PolarHBondContact O-N 2.93Å; L167-L188 HydrophobicContact CB-CD1 4.15Å; V182-L188 HydrophobicContact CG1-CD2 3.62Å; V182-L188 WeakPolarHBondContact O-CD2 3.19Å; L185-L188 HydrophobicContact CB-CB 4.06Å; L185-L188 PolarHBondContact O-N 2.86Å; L188-L191 HydrophobicContact CD2-CB 4.42Å; L188-L191 HydrophobicContact CD2-CD2 4.41Å; L188-R210 VanDerWaalsContact O-CD 3.28Å; L188-R210 WeakPolarHBondContact O-CD 3.33Å; L188-R210 VanDerWaalsContact O-CG 3.24Å; L188-R210 WeakPolarHBondContact O-CG 3.3Å; L188-R210 PolarHBondContact O-NE 2.82Å
189E98.6Very high96.7Very high47 Ų4726.1 Ų26.122%0.2215%0.152CC..  trans-120-26.4-179.3-69.5178.6-14400112.3R165 R187 K212 S213R165-E189 IonicContact CZ-OE1 2.72Å; R165-E189 IonicContact NH1-OE1 3.76Å; R165-E189 PolarHBondContact NH1-OE1 2.9Å; R165-E189 PolarHBondContact O-N 2.73Å; R187-E189 PolarHBondContact O-N 2.57Å; E189-K212 HydrophobicContact CB-CD 4.46Å; E189-K212 HydrophobicContact CG-CD 4.48Å; E189-K212 WeakPolarHBondContact O-CA 3.49Å; E189-K212 PolarHBondContact O-N 3.1Å; E189-K212 IonicContact OE1-NZ 4Å; E189-K212 WeakPolarHBondContact OE2-CE 3.39Å; E189-K212 IonicContact OE2-NZ 2.75Å; E189-K212 PolarHBondContact OE2-NZ 2.89Å; E189-S213 PolarHBondContact O-N 3.36Å
190S98.8Very high96.7Very high39 Ų3928.9 Ų28.927%0.27317%0.166SC..EExtended strand (participates in β ladder)trans-132.5129.3179.9-175.20000110.7R165 A166 L167 S213R165-S190 PolarHBondContact O-N 2.71Å; A166-S190 WeakPolarHBondContact CA-O 3.46Å; L167-S190 PolarHBondContact N-O 3.43Å; S190-S213 WeakPolarHBondContact CA-O 3.48Å
191L98.8Very high96.9Very high0 Ų026.8 Ų26.80%015%0.149CC..EExtended strand (participates in β ladder)trans-134.8125179.1-177.760.2000110.8L167 L179 V182 L188 I193 L204 L211 S213 L214 T215L167-L191 HydrophobicContact CB-CD1 4.13Å; L167-L191 HydrophobicContact CD2-CD1 4.25Å; L167-L191 HydrophobicContact CG-CD1 4.34Å; L167-L191 WeakPolarHBondContact O-CA 3.18Å; L179-L191 HydrophobicContact CD1-CD2 3.82Å; V182-L191 HydrophobicContact CG1-CD1 3.76Å; V182-L191 HydrophobicContact CG1-CD2 4.25Å; L188-L191 HydrophobicContact CD2-CB 4.42Å; L188-L191 HydrophobicContact CD2-CD2 4.41Å; L191-I193 HydrophobicContact CD1-CG2 3.85Å; L191-I193 HydrophobicContact CD2-CG2 4Å; L191-I193 HydrophobicContact CG-CG2 3.79Å; L191-L204 HydrophobicContact CD2-CD2 3.65Å; L191-L211 HydrophobicContact CB-CD1 4.01Å; L191-S213 PolarHBondContact N-O 2.99Å; L191-L214 HydrophobicContact CB-CD1 4.49Å; L191-L214 WeakPolarHBondContact O-CA 3.24Å; L191-T215 PolarHBondContact O-N 2.92Å
192D98.6Very high97.1Very high32 Ų3229.1 Ų29.117%0.17116%0.164CC..EExtended strand (participates in β ladder)trans-115.6111.7169.4-171.1-13.8000109.9L167 I169 T170 S194L167-D192 PolarHBondContact O-N 3.05Å; I169-D192 PolarHBondContact N-O 2.92Å; T170-D192 HydrophobicContact CG2-CB 4.32Å; T170-D192 VanDerWaalsContact CG2-CG 3.42Å; T170-D192 VanDerWaalsContact CG2-OD1 3.23Å; T170-D192 WeakPolarHBondContact CG2-OD1 3.47Å; D192-S194 WeakPolarHBondContact OD1-CB 3.5Å; D192-S194 PolarHBondContact OD1-N 3.41Å; D192-S194 PolarHBondContact OD1-OG 2.69Å
193I98Very high97.1Very high0 Ų030.5 Ų30.50%018%0.175CC..  trans-115.322-17950164.7000111.4I169 F174 L179 L191 T196 I198 L214 T215 M216 L219I169-I193 HydrophobicContact CG2-CG2 4.02Å; F174-I193 HydrophobicContact CE1-CG2 4.27Å; L179-I193 HydrophobicContact CD1-CD1 4.45Å; L179-I193 HydrophobicContact CD1-CG2 4.28Å; L191-I193 HydrophobicContact CD1-CG2 3.85Å; L191-I193 HydrophobicContact CD2-CG2 4Å; L191-I193 HydrophobicContact CG-CG2 3.79Å; I193-T196 WeakPolarHBondContact O-CB 3.39Å; I193-T196 WeakPolarHBondContact O-CG2 3.39Å; I193-T196 PolarHBondContact O-OG1 2.88Å; I193-I198 HydrophobicContact CB-CD1 3.77Å; I193-I198 HydrophobicContact CD1-CD1 3.52Å; I193-I198 HydrophobicContact CG1-CD1 4.21Å; I193-I198 HydrophobicContact CG2-CD1 3.91Å; I193-L214 HydrophobicContact CD1-CD1 4.46Å; I193-L214 HydrophobicContact CG1-CD1 4.49Å; I193-T215 WeakPolarHBondContact CG1-O 3.26Å; I193-T215 PolarHBondContact N-O 3.48Å; I193-M216 HydrophobicContact CD1-CB 4.13Å; I193-M216 HydrophobicContact CG1-CB 4.09Å; I193-L219 HydrophobicContact CD1-CD1 4.39Å; I193-L219 HydrophobicContact CD1-CD2 4.35Å; I193-L219 HydrophobicContact CG1-CD2 4.34Å; I193-L219 WeakPolarHBondContact O-CD2 3.37Å
194S96.8Very high97.2Very high5 Ų530.5 Ų30.54%0.03518%0.175CC..THydrogen-bonded Turntrans-59.3144.1-174.9-55.90000112.8T170 N171 D192 T196 T215 H217T170-S194 WeakPolarHBondContact CA-O 3.42Å; T170-S194 WeakPolarHBondContact CB-O 3.45Å; N171-S194 PolarHBondContact N-O 3.32Å; N171-S194 VanDerWaalsContact N-O 3.11Å; D192-S194 WeakPolarHBondContact OD1-CB 3.5Å; D192-S194 PolarHBondContact OD1-N 3.41Å; D192-S194 PolarHBondContact OD1-OG 2.69Å; S194-T196 VanDerWaalsContact C-N 3.25Å; S194-T196 PolarHBondContact O-N 2.97Å; S194-T215 WeakPolarHBondContact OG-CG2 3.42Å; S194-H217 CarbonylContact C-O 3.58Å; S194-H217 WeakPolarHBondContact CA-O 3.31Å; S194-H217 VanDerWaalsContact CB-O 3.25Å; S194-H217 WeakPolarHBondContact CB-O 3.46Å; S194-H217 WeakPolarHBondContact OG-CB 3.39Å; S194-H217 PolarHBondContact OG-N 2.83Å
195N94.9Very high97.3Very high40 Ų4030 Ų3021%0.21417%0.167CC..THydrogen-bonded Turntrans59.831.1174.8-156.329.5000114.6N171 H217 H218 K220N171-N195 HydrophobicContact CB-CB 4.48Å; N171-N195 PolarHBondContact OD1-ND2 2.77Å; N171-N195 VanDerWaalsContact OD1-ND2 3.14Å; N195-H217 PolarHBondContact N-O 3.43Å; N195-H218 VanDerWaalsContact CA-O 3.26Å; N195-H218 WeakPolarHBondContact CA-O 3.24Å; N195-H218 PolarHBondContact N-O 2.89Å; N195-H218 PolarHBondContact OD1-CD2 3.45Å; N195-H218 VanDerWaalsContact OD1-CD2 3.32Å; N195-K220 VanDerWaalsContact CG-CE 3.46Å; N195-K220 WeakPolarHBondContact O-CE 3.21Å; N195-K220 WeakPolarHBondContact OD1-CE 3.5Å
196T95.4Very high97.4Very high1 Ų133 Ų331%0.00619%0.192CC..  trans-101.2-179.1177.461.40000112.5I169 F174 I193 S194 L219 K220I169-T196 VanDerWaalsContact O-CG2 3.26Å; I169-T196 WeakPolarHBondContact O-CG2 3.37Å; F174-T196 HydrophobicContact CB-CG2 3.81Å; I193-T196 WeakPolarHBondContact O-CB 3.39Å; I193-T196 WeakPolarHBondContact O-CG2 3.39Å; I193-T196 PolarHBondContact O-OG1 2.88Å; S194-T196 VanDerWaalsContact C-N 3.25Å; S194-T196 PolarHBondContact O-N 2.97Å; T196-L219 WeakPolarHBondContact OG1-CD2 3.39Å; T196-K220 PolarHBondContact O-N 2.87Å; T196-K220 VanDerWaalsContact O-N 3.11Å
197S94.3Very high97.4Very high16 Ų1629 Ų2911%0.11217%0.166CC..  trans-100.315.5-178.1-59.20000113.6F174 T199F174-S197 CarbonylContact O-C 3.44Å; F174-S197 WeakPolarHBondContact O-CA 3.29Å; F174-S197 PolarHBondContact O-N 2.89Å; F174-S197 VanDerWaalsContact O-N 3.09Å; S197-T199 PolarHBondContact O-N 2.99Å
198I95.7Very high97.4Very high0 Ų026.3 Ų26.30%016%0.157CC..  trans-58.9131.1176-69.5163.9000109.6F174 L179 I193 D200 I201 C221 L222F174-I198 HydrophobicContact CD1-CD1 3.85Å; F174-I198 HydrophobicContact CD1-CG1 4.14Å; F174-I198 HydrophobicContact CE1-CD1 4.15Å; F174-I198 PolarHBondContact O-N 3.2Å; L179-I198 HydrophobicContact CB-CD1 4.24Å; L179-I198 HydrophobicContact CB-CG1 4.49Å; L179-I198 HydrophobicContact CD1-CD1 4.17Å; L179-I198 HydrophobicContact CD2-CD1 4.06Å; L179-I198 HydrophobicContact CD2-CG1 4.48Å; L179-I198 HydrophobicContact CD2-CG2 4.05Å; L179-I198 HydrophobicContact CG-CD1 4.39Å; I193-I198 HydrophobicContact CB-CD1 3.77Å; I193-I198 HydrophobicContact CD1-CD1 3.52Å; I193-I198 HydrophobicContact CG1-CD1 4.21Å; I193-I198 HydrophobicContact CG2-CD1 3.91Å; I198-D200 WeakPolarHBondContact CG2-O 3.38Å; I198-I201 HydrophobicContact CG2-CG2 3.98Å; I198-C221 CarbonylContact O-C 3.03Å; I198-L222 PolarHBondContact O-N 3.34Å
199T96.2Very high97.3Very high37 Ų3732.2 Ų32.223%0.22719%0.189CC..SBendtrans-106.1-21.6177.471.10000112.8N176 S197 C221 K223N176-T199 PolarHBondContact ND2-OG1 3.1Å; N176-T199 PolarHBondContact OD1-N 3.47Å; S197-T199 PolarHBondContact O-N 2.99Å; T199-C221 WeakPolarHBondContact CA-O 3.23Å; T199-C221 WeakPolarHBondContact CB-O 3.2Å; T199-C221 HydrophobicContact CG2-CB 3.92Å; T199-C221 WeakPolarHBondContact CG2-O 3.44Å; T199-K223 HydrophobicContact CG2-CD 4.36Å; T199-K223 PolarHBondContact O-N 3.39Å
200D97.1Very high97.2Very high58 Ų5832.4 Ų32.431%0.3119%0.187SC..  trans-143.6127-177.4-169.3-52.4000110.8N176 I198 T202 M224N176-D200 PolarHBondContact OD1-N 3.02Å; N176-D200 VanDerWaalsContact OD1-N 3.09Å; N176-D200 PolarHBondContact OD1-O 2.55Å; I198-D200 WeakPolarHBondContact CG2-O 3.38Å; D200-T202 WeakPolarHBondContact OD1-CA 3.12Å; D200-T202 WeakPolarHBondContact OD1-CB 3.4Å; D200-T202 PolarHBondContact OD1-N 3.39Å; D200-T202 PolarHBondContact OD1-OG1 3.3Å; D200-M224 HydrophobicContact CB-CG 4.41Å; D200-M224 HydrophobicContact CB-SD 4.31Å
201I98Very high97.2Very high0 Ų030.5 Ų30.50%017%0.174CC..  trans-97.93.9-177.664.4157.4000113.9I198 A203 L204 M216 L219 L222 M224 I229 V232I198-I201 HydrophobicContact CG2-CG2 3.98Å; I201-A203 PolarHBondContact O-N 2.7Å; I201-A203 VanDerWaalsContact O-N 3.1Å; I201-L204 HydrophobicContact CB-CD1 3.95Å; I201-L204 HydrophobicContact CB-CG 4.45Å; I201-L204 HydrophobicContact CD1-CD1 4.39Å; I201-L204 VanDerWaalsContact O-CB 3.25Å; I201-L204 WeakPolarHBondContact O-CB 3.34Å; I201-L204 VanDerWaalsContact O-CG 3.27Å; I201-L204 WeakPolarHBondContact O-CG 3.05Å; I201-L204 PolarHBondContact O-N 2.89Å; I201-M216 HydrophobicContact CD1-CE 4.26Å; I201-M216 HydrophobicContact CD1-SD 4.09Å; I201-M216 HydrophobicContact CG2-SD 4.48Å; I201-L219 HydrophobicContact CG2-CD1 4.1Å; I201-L222 HydrophobicContact CG2-CD1 4.13Å; I201-M224 HydrophobicContact CB-SD 4.34Å; I201-M224 HydrophobicContact CG1-CE 4.17Å; I201-M224 HydrophobicContact CG1-SD 3.57Å; I201-M224 VanDerWaalsContact CG1-SD 3.57Å; I201-M224 PolarHBondContact N-SD 2.97Å; I201-I229 HydrophobicContact CD1-CG2 3.93Å; I201-V232 HydrophobicContact CD1-CB 4.09Å; I201-V232 HydrophobicContact CD1-CG1 3.9Å; I201-V232 HydrophobicContact CG1-CB 4.29Å; I201-V232 HydrophobicContact CG1-CG1 4.1Å; I201-V232 HydrophobicContact CG1-CG2 4.39Å
202T98.4Very high97.2Very high60 Ų6034.7 Ų34.737%0.36819%0.193SC..G310 helixtrans-58.2-27.8-177-54.50000112.3D200 L204 L205D200-T202 WeakPolarHBondContact OD1-CA 3.12Å; D200-T202 WeakPolarHBondContact OD1-CB 3.4Å; D200-T202 PolarHBondContact OD1-N 3.39Å; D200-T202 PolarHBondContact OD1-OG1 3.3Å; T202-L204 PolarHBondContact O-N 3.09Å; T202-L204 VanDerWaalsContact O-N 3.1Å; T202-L205 HydrophobicContact CG2-CD1 3.84Å; T202-L205 HydrophobicContact CG2-CG 4.49Å; T202-L205 VanDerWaalsContact O-CB 3.31Å; T202-L205 WeakPolarHBondContact O-CB 3.42Å; T202-L205 VanDerWaalsContact O-CG 3.29Å; T202-L205 WeakPolarHBondContact O-CG 3.35Å; T202-L205 PolarHBondContact O-N 2.64Å
203A97.8Very high97.2Very high28 Ų2834.2 Ų34.223%0.23119%0.192CC..G310 helixtrans-55.2-26.917400000113.5L179 A180 A183 I201 L205 A206L179-A203 HydrophobicContact CD2-CB 4.03Å; L179-A203 HydrophobicContact CG-CB 3.98Å; A180-A203 HydrophobicContact CB-CB 4.07Å; A183-A203 VanDerWaalsContact CB-O 3.23Å; A183-A203 WeakPolarHBondContact CB-O 3.43Å; I201-A203 PolarHBondContact O-N 2.7Å; I201-A203 VanDerWaalsContact O-N 3.1Å; A203-L205 PolarHBondContact O-N 2.78Å; A203-L205 VanDerWaalsContact O-N 3.15Å; A203-A206 WeakPolarHBondContact O-CB 3.27Å; A203-A206 PolarHBondContact O-N 2.68Å; A203-A206 VanDerWaalsContact O-N 3.1Å
204L98.4Very high97.2Very high0 Ų034.2 Ų34.20%019%0.192CC..G310 helixtrans-61.2-20.4174.9-64.5177.4000113.3L179 L191 I201 T202 A206 C207 K208 L211 L214 V232 L236L179-L204 HydrophobicContact CD1-CD2 3.79Å; L179-L204 HydrophobicContact CD1-CG 4.47Å; L179-L204 HydrophobicContact CD2-CG 4.39Å; L179-L204 HydrophobicContact CG-CD2 4.46Å; L191-L204 HydrophobicContact CD2-CD2 3.65Å; I201-L204 HydrophobicContact CB-CD1 3.95Å; I201-L204 HydrophobicContact CB-CG 4.45Å; I201-L204 HydrophobicContact CD1-CD1 4.39Å; I201-L204 VanDerWaalsContact O-CB 3.25Å; I201-L204 WeakPolarHBondContact O-CB 3.34Å; I201-L204 VanDerWaalsContact O-CG 3.27Å; I201-L204 WeakPolarHBondContact O-CG 3.05Å; I201-L204 PolarHBondContact O-N 2.89Å; T202-L204 PolarHBondContact O-N 3.09Å; T202-L204 VanDerWaalsContact O-N 3.1Å; L204-A206 PolarHBondContact O-N 2.83Å; L204-C207 CarbonylContact O-C 3.38Å; L204-C207 WeakPolarHBondContact O-CA 3.28Å; L204-C207 PolarHBondContact O-N 2.65Å; L204-C207 PolarHBondContact O-SG 3.43Å; L204-K208 PolarHBondContact O-N 3.24Å; L204-L211 HydrophobicContact CD2-CD2 4.4Å; L204-L214 HydrophobicContact CD1-CD1 3.89Å; L204-L214 HydrophobicContact CD1-CD2 3.63Å; L204-L214 HydrophobicContact CD1-CG 4.44Å; L204-L214 HydrophobicContact CD2-CD1 4.41Å; L204-V232 HydrophobicContact CB-CG1 4.47Å; L204-L236 HydrophobicContact CB-CD2 4.45Å
205L98.3Very high97.3Very high59 Ų5935 Ų3531%0.30920%0.196SC..G310 helixtrans-61.7-24.5175.4-63.6-179.3000112.4T202 A203 C207 K208 V232 E235T202-L205 HydrophobicContact CG2-CD1 3.84Å; T202-L205 HydrophobicContact CG2-CG 4.49Å; T202-L205 VanDerWaalsContact O-CB 3.31Å; T202-L205 WeakPolarHBondContact O-CB 3.42Å; T202-L205 VanDerWaalsContact O-CG 3.29Å; T202-L205 WeakPolarHBondContact O-CG 3.35Å; T202-L205 PolarHBondContact O-N 2.64Å; A203-L205 PolarHBondContact O-N 2.78Å; A203-L205 VanDerWaalsContact O-N 3.15Å; L205-C207 PolarHBondContact O-N 3.09Å; L205-K208 WeakPolarHBondContact O-CG 3.39Å; L205-K208 PolarHBondContact O-N 3.27Å; L205-V232 HydrophobicContact CD2-CG1 4.08Å; L205-V232 HydrophobicContact CG-CG1 4.32Å; L205-E235 HydrophobicContact CD2-CB 3.46Å; L205-E235 VanDerWaalsContact CD2-CB 3.46Å; L205-E235 HydrophobicContact CD2-CG 4.11Å
206A97.7Very high97.4Very high66 Ų6633.4 Ų33.455%0.54519%0.188SC..G310 helixtrans-65.5-15.7172.400000113A183 A203 L204 R210A183-A206 HydrophobicContact CB-CB 4.2Å; A183-A206 CarbonylContact O-C 3.41Å; A183-A206 WeakPolarHBondContact O-CB 3.39Å; A203-A206 WeakPolarHBondContact O-CB 3.27Å; A203-A206 PolarHBondContact O-N 2.68Å; A203-A206 VanDerWaalsContact O-N 3.1Å; L204-A206 PolarHBondContact O-N 2.83Å; A206-R210 PolarHBondContact O-NH1 2.83Å
207C97.3Very high97.4Very high1 Ų134 Ų341%0.00719%0.191CC..G310 helixtrans-119.413178.171.30000115.5L204 L205 D209 R210 L211L204-C207 CarbonylContact O-C 3.38Å; L204-C207 WeakPolarHBondContact O-CA 3.28Å; L204-C207 PolarHBondContact O-N 2.65Å; L204-C207 PolarHBondContact O-SG 3.43Å; L205-C207 PolarHBondContact O-N 3.09Å; C207-D209 VanDerWaalsContact C-N 3.29Å; C207-D209 PolarHBondContact O-N 2.65Å; C207-R210 HydrophobicContact CB-CG 4.03Å; C207-R210 WeakPolarHBondContact O-CG 3.39Å; C207-R210 PolarHBondContact O-N 3.08Å; C207-R210 VanDerWaalsContact O-N 3.07Å; C207-L211 WeakPolarHBondContact O-CB 3.26Å; C207-L211 PolarHBondContact O-N 3.09Å
208K97.1Very high97.4Very high64 Ų6434 Ų3428%0.27819%0.189SC..THydrogen-bonded Turntrans-57.8-33.5-174.372.3-177.1-168.9171.40115.5L204 L205 R210 E235 L236L204-K208 PolarHBondContact O-N 3.24Å; L205-K208 WeakPolarHBondContact O-CG 3.39Å; L205-K208 PolarHBondContact O-N 3.27Å; K208-R210 VanDerWaalsContact C-N 3.26Å; K208-R210 PolarHBondContact O-N 2.9Å; K208-E235 HydrophobicContact CD-CB 4.45Å; K208-E235 IonicContact NZ-OE2 3.92Å; K208-E235 PolarHBondContact NZ-OE2 3.47Å; K208-E235 VanDerWaalsContact NZ-OE2 3.11Å; K208-L236 HydrophobicContact CB-CD2 3.76Å
209D96.6Very high97.3Very high123 Ų12334.6 Ų34.666%0.65819%0.192SC*.THydrogen-bonded Turntrans-82.2-2.5-177.2-57.2-48.2000113.4C207C207-D209 VanDerWaalsContact C-N 3.29Å; C207-D209 PolarHBondContact O-N 2.65Å
210R97.2Very high97Very high51 Ų5137.1 Ų37.119%0.19220%0.2CC..THydrogen-bonded Turntrans-132.5-26.4-175.158.9175.5-159.5-90.33.1114.7A183 L185 L188 A206 C207 K208 K212A183-R210 PolarHBondContact O-NH2 2.8Å; L185-R210 PolarHBondContact O-NE 3.37Å; L185-R210 PolarHBondContact O-NH2 2.55Å; L188-R210 VanDerWaalsContact O-CD 3.28Å; L188-R210 WeakPolarHBondContact O-CD 3.33Å; L188-R210 VanDerWaalsContact O-CG 3.24Å; L188-R210 WeakPolarHBondContact O-CG 3.3Å; L188-R210 PolarHBondContact O-NE 2.82Å; A206-R210 PolarHBondContact O-NH1 2.83Å; C207-R210 HydrophobicContact CB-CG 4.03Å; C207-R210 WeakPolarHBondContact O-CG 3.39Å; C207-R210 PolarHBondContact O-N 3.08Å; C207-R210 VanDerWaalsContact O-N 3.07Å; K208-R210 VanDerWaalsContact C-N 3.26Å; K208-R210 PolarHBondContact O-N 2.9Å; R210-K212 PolarHBondContact O-N 3.22Å
211L98.3Very high96.7Very high0 Ų036.9 Ų36.90%020%0.202CC..  trans-69119.5-177.4-166.870.9000110.5L191 L204 C207 L214 L236 H238 L239L191-L211 HydrophobicContact CB-CD1 4.01Å; L204-L211 HydrophobicContact CD2-CD2 4.4Å; C207-L211 WeakPolarHBondContact O-CB 3.26Å; C207-L211 PolarHBondContact O-N 3.09Å; L211-L214 HydrophobicContact CD2-CB 4.14Å; L211-L214 HydrophobicContact CD2-CD1 4.36Å; L211-L236 HydrophobicContact CD2-CD1 4.24Å; L211-L236 HydrophobicContact CD2-CD2 4.46Å; L211-H238 CarbonylContact O-C 3.45Å; L211-L239 HydrophobicContact CD2-CD1 4.25Å; L211-L239 HydrophobicContact CG-CD1 4.09Å
212K98.6Very high96.4Very high87 Ų8739.5 Ų39.538%0.37822%0.216SC..  trans-109.6-22.7-178.9-64.4175.9-172.3165.40113E189 R210 N240 H241E189-K212 HydrophobicContact CB-CD 4.46Å; E189-K212 HydrophobicContact CG-CD 4.48Å; E189-K212 WeakPolarHBondContact O-CA 3.49Å; E189-K212 PolarHBondContact O-N 3.1Å; E189-K212 IonicContact OE1-NZ 4Å; E189-K212 WeakPolarHBondContact OE2-CE 3.39Å; E189-K212 IonicContact OE2-NZ 2.75Å; E189-K212 PolarHBondContact OE2-NZ 2.89Å; R210-K212 PolarHBondContact O-N 3.22Å; K212-N240 WeakPolarHBondContact O-CA 3.07Å; K212-N240 PolarHBondContact O-N 3.26Å; K212-H241 PolarHBondContact O-N 2.92Å
213S98.8Very high96.2Very high23 Ų2344.8 Ų44.816%0.16123%0.234CC..EExtended strand (participates in β ladder)trans-138.8127179.4-175.50000110.4E189 S190 L191 H241E189-S213 PolarHBondContact O-N 3.36Å; S190-S213 WeakPolarHBondContact CA-O 3.48Å; L191-S213 PolarHBondContact N-O 2.99Å; S213-H241 WeakPolarHBondContact CA-O 3.45Å
214L98.8Very high96Very high0 Ų044.5 Ų44.50%023%0.228CC..EExtended strand (participates in β ladder)trans-131.8120.5177.3177.864000109.3L191 I193 L204 L211 M216 L236 L239 H241 L242 D243L191-L214 HydrophobicContact CB-CD1 4.49Å; L191-L214 WeakPolarHBondContact O-CA 3.24Å; I193-L214 HydrophobicContact CD1-CD1 4.46Å; I193-L214 HydrophobicContact CG1-CD1 4.49Å; L204-L214 HydrophobicContact CD1-CD1 3.89Å; L204-L214 HydrophobicContact CD1-CD2 3.63Å; L204-L214 HydrophobicContact CD1-CG 4.44Å; L204-L214 HydrophobicContact CD2-CD1 4.41Å; L211-L214 HydrophobicContact CD2-CB 4.14Å; L211-L214 HydrophobicContact CD2-CD1 4.36Å; L214-M216 HydrophobicContact CD2-SD 4.18Å; L214-L236 HydrophobicContact CD2-CD1 3.95Å; L214-L239 HydrophobicContact CB-CD1 3.75Å; L214-L239 HydrophobicContact CB-CD2 4.23Å; L214-H241 PolarHBondContact N-O 3.19Å; L214-L242 HydrophobicContact CB-CD1 4.41Å; L214-L242 HydrophobicContact CD2-CD1 4.21Å; L214-L242 HydrophobicContact CG-CD1 4.46Å; L214-L242 WeakPolarHBondContact O-CA 3.46Å; L214-D243 PolarHBondContact O-N 3.24Å
215T98.5Very high95.8Very high21 Ų2148.1 Ų48.113%0.12925%0.25CC..EExtended strand (participates in β ladder)trans-114.4119.1171-50.80000108.5L191 I193 S194 H217 D243L191-T215 PolarHBondContact O-N 2.92Å; I193-T215 WeakPolarHBondContact CG1-O 3.26Å; I193-T215 PolarHBondContact N-O 3.48Å; S194-T215 WeakPolarHBondContact OG-CG2 3.42Å; T215-H217 HydrophobicContact CG2-CB 4.36Å; T215-D243 HydrophobicContact CG2-CB 3.78Å
216M96.8Very high95.6Very high7 Ų746.3 Ų46.33%0.03424%0.241CC..  trans-13145.6177.659.6-178.8-176.200110.7I193 I201 L214 H218 L219 I229 V233 L242 D243 I244I193-M216 HydrophobicContact CD1-CB 4.13Å; I193-M216 HydrophobicContact CG1-CB 4.09Å; I201-M216 HydrophobicContact CD1-CE 4.26Å; I201-M216 HydrophobicContact CD1-SD 4.09Å; I201-M216 HydrophobicContact CG2-SD 4.48Å; L214-M216 HydrophobicContact CD2-SD 4.18Å; M216-H218 PolarHBondContact O-N 3.13Å; M216-L219 HydrophobicContact CB-CD1 3.91Å; M216-L219 HydrophobicContact CB-CD2 4.33Å; M216-L219 HydrophobicContact CB-CG 4.02Å; M216-I229 HydrophobicContact CE-CG2 4.01Å; M216-V233 HydrophobicContact CE-CG2 4.2Å; M216-L242 HydrophobicContact CE-CD1 4.33Å; M216-D243 PolarHBondContact N-O 3.25Å; M216-I244 HydrophobicContact CE-CB 4.43Å; M216-I244 HydrophobicContact CE-CG2 3.22Å; M216-I244 HydrophobicContact CG-CG2 3.98Å; M216-I244 HydrophobicContact SD-CG2 4.42Å
217H95.6Very high95.5Very high13 Ų1347.3 Ų47.36%0.0624%0.241CC..THydrogen-bonded Turntrans-64.9131.3179.2162.583.3000110.6S194 N195 T215 L219 S245 D247 F340S194-H217 CarbonylContact C-O 3.58Å; S194-H217 WeakPolarHBondContact CA-O 3.31Å; S194-H217 VanDerWaalsContact CB-O 3.25Å; S194-H217 WeakPolarHBondContact CB-O 3.46Å; S194-H217 WeakPolarHBondContact OG-CB 3.39Å; S194-H217 PolarHBondContact OG-N 2.83Å; N195-H217 PolarHBondContact N-O 3.43Å; T215-H217 HydrophobicContact CG2-CB 4.36Å; H217-L219 PolarHBondContact O-N 2.82Å; H217-S245 VanDerWaalsContact CA-O 3.31Å; H217-S245 WeakPolarHBondContact CA-O 3.43Å; H217-S245 PolarHBondContact ND1-O 2.69Å; H217-S245 PolarHBondContact ND1-OG 3.13Å; H217-D247 IonicContact CE1-OD1 3.19Å; H217-D247 PolarHBondContact CE1-OD1 3.29Å; H217-D247 IonicContact NE2-OD1 2.97Å; H217-D247 PolarHBondContact NE2-OD1 2.71Å; H217-F340 AromaticContact CE1-CE2 3.63Å; H217-F340 AromaticContact CE1-CZ 3.66Å; H217-F340 AromaticContact ND1-CE2 3.8Å; H217-F340 AromaticContact ND1-CZ 3.91Å
218H93.7Very high95.5Very high16 Ų1651.6 Ų51.67%0.07426%0.261CS..THydrogen-bonded Turntrans48.252.8174.6-166.462000114.8N195 M216 K220 S245 D246 F250N195-H218 VanDerWaalsContact CA-O 3.26Å; N195-H218 WeakPolarHBondContact CA-O 3.24Å; N195-H218 PolarHBondContact N-O 2.89Å; N195-H218 PolarHBondContact OD1-CD2 3.45Å; N195-H218 VanDerWaalsContact OD1-CD2 3.32Å; M216-H218 PolarHBondContact O-N 3.13Å; H218-K220 PolarHBondContact O-N 3.4Å; H218-K220 VanDerWaalsContact O-N 3.14Å; H218-S245 PolarHBondContact N-O 2.64Å; H218-S245 VanDerWaalsContact N-O 3.12Å; H218-D246 IonicContact CE1-OD1 3.53Å; H218-D246 IonicContact CG-OD1 2.67Å; H218-D246 IonicContact ND1-OD1 3.7Å; H218-D246 PolarHBondContact ND1-OD1 3.13Å; H218-F250 AromaticContact CE1-CE2 3.6Å; H218-F250 AromaticContact ND1-CE2 3.95Å
219L94Very high95.5Very high12 Ų1248.8 Ų48.86%0.06325%0.249CC..  trans-65.8109.6172-66.3-171.9000110.9I193 T196 I201 M216 H217 C221 L222I193-L219 HydrophobicContact CD1-CD1 4.39Å; I193-L219 HydrophobicContact CD1-CD2 4.35Å; I193-L219 HydrophobicContact CG1-CD2 4.34Å; I193-L219 WeakPolarHBondContact O-CD2 3.37Å; T196-L219 WeakPolarHBondContact OG1-CD2 3.39Å; I201-L219 HydrophobicContact CG2-CD1 4.1Å; M216-L219 HydrophobicContact CB-CD1 3.91Å; M216-L219 HydrophobicContact CB-CD2 4.33Å; M216-L219 HydrophobicContact CB-CG 4.02Å; H217-L219 PolarHBondContact O-N 2.82Å; L219-C221 VanDerWaalsContact C-N 3.26Å; L219-C221 PolarHBondContact O-N 3.13Å; L219-C221 VanDerWaalsContact O-N 3.16Å; L219-L222 HydrophobicContact CB-CB 4Å; L219-L222 HydrophobicContact CD1-CD1 4.19Å; L219-L222 HydrophobicContact CD1-CD2 4.31Å
220K89.1Confident95.5Very high90 Ų9043.4 Ų43.439%0.39122%0.22SC..THydrogen-bonded Turntrans-62.4-28.7-168-62.3179.9-173171.30114.5N195 T196 H218N195-K220 VanDerWaalsContact CG-CE 3.46Å; N195-K220 WeakPolarHBondContact O-CE 3.21Å; N195-K220 WeakPolarHBondContact OD1-CE 3.5Å; T196-K220 PolarHBondContact O-N 2.87Å; T196-K220 VanDerWaalsContact O-N 3.11Å; H218-K220 PolarHBondContact O-N 3.4Å; H218-K220 VanDerWaalsContact O-N 3.14Å
221C91.1Very high95.5Very high53 Ų5344.6 Ų44.636%0.35823%0.23SC..THydrogen-bonded Turntrans-12616.3-168.7-58.40000113.5I198 T199 L219 K223I198-C221 CarbonylContact O-C 3.03Å; T199-C221 WeakPolarHBondContact CA-O 3.23Å; T199-C221 WeakPolarHBondContact CB-O 3.2Å; T199-C221 HydrophobicContact CG2-CB 3.92Å; T199-C221 WeakPolarHBondContact CG2-O 3.44Å; L219-C221 VanDerWaalsContact C-N 3.26Å; L219-C221 PolarHBondContact O-N 3.13Å; L219-C221 VanDerWaalsContact O-N 3.16Å; C221-K223 WeakPolarHBondContact O-CG 3.31Å; C221-K223 PolarHBondContact O-N 2.87Å; C221-K223 VanDerWaalsContact O-N 3.1Å
222L93.2Very high95.5Very high55 Ų5544.9 Ų44.929%0.28823%0.232SC..  trans-60.1116.3-178.9-172.564.2000110.4I198 I201 L219 M224 I229I198-L222 PolarHBondContact O-N 3.34Å; I201-L222 HydrophobicContact CG2-CD1 4.13Å; L219-L222 HydrophobicContact CB-CB 4Å; L219-L222 HydrophobicContact CD1-CD1 4.19Å; L219-L222 HydrophobicContact CD1-CD2 4.31Å; L222-M224 HydrophobicContact CD1-CB 4.32Å; L222-M224 HydrophobicContact CD1-CG 4.26Å; L222-M224 HydrophobicContact CD1-SD 4.27Å; L222-I229 HydrophobicContact CD2-CD1 3.55Å; L222-I229 HydrophobicContact CD2-CG1 4.28Å; L222-I229 HydrophobicContact CG-CD1 4.21Å
223K92.4Very high95.4Very high172 Ų17240.9 Ų40.975%0.74822%0.215SC*.  trans-102-9.9-176.6-72.4179.3-175.7178.70113.3T199 C221T199-K223 HydrophobicContact CG2-CD 4.36Å; T199-K223 PolarHBondContact O-N 3.39Å; C221-K223 WeakPolarHBondContact O-CG 3.31Å; C221-K223 PolarHBondContact O-N 2.87Å; C221-K223 VanDerWaalsContact O-N 3.1Å
224M94.6Very high95.3Very high21 Ų2142.9 Ų42.910%0.10322%0.219CC..  trans-65.7143.8-179.3-63.5177.978.500111.4D200 I201 L222 Q228 I229 V232D200-M224 HydrophobicContact CB-CG 4.41Å; D200-M224 HydrophobicContact CB-SD 4.31Å; I201-M224 HydrophobicContact CB-SD 4.34Å; I201-M224 HydrophobicContact CG1-CE 4.17Å; I201-M224 HydrophobicContact CG1-SD 3.57Å; I201-M224 VanDerWaalsContact CG1-SD 3.57Å; I201-M224 PolarHBondContact N-SD 2.97Å; L222-M224 HydrophobicContact CD1-CB 4.32Å; L222-M224 HydrophobicContact CD1-CG 4.26Å; L222-M224 HydrophobicContact CD1-SD 4.27Å; M224-Q228 HydrophobicContact CB-CB 4.21Å; M224-Q228 HydrophobicContact CE-CB 3.69Å; M224-I229 HydrophobicContact CB-CD1 4.09Å; M224-I229 HydrophobicContact CB-CG1 3.54Å; M224-I229 HydrophobicContact SD-CG1 4.32Å; M224-V232 HydrophobicContact CE-CG2 3.96Å
225T94Very high95.3Very high76 Ų7646.2 Ų46.247%0.46623%0.234SC..  trans-69.2157169.262.10000110.8T227 Q228 I229T225-T227 PolarHBondContact O-N 3.16Å; T225-Q228 PolarHBondContact O-N 2.89Å; T225-Q228 VanDerWaalsContact OG1-CG 3.25Å; T225-Q228 WeakPolarHBondContact OG1-CG 3.35Å; T225-Q228 PolarHBondContact OG1-N 3.32Å; T225-Q228 PolarHBondContact OG1-OE1 2.88Å; T225-I229 WeakPolarHBondContact O-CG1 3.19Å; T225-I229 PolarHBondContact O-N 3.1Å
226T94.1Very high95.2Very high22 Ų2245.2 Ų45.214%0.13523%0.228CC..Hα-helixtrans-50.3-43.6174.9-61.50000112I229 L230 D253 I254 R257T226-I229 PolarHBondContact O-N 2.93Å; T226-L230 HydrophobicContact CG2-CD1 3.93Å; T226-L230 HydrophobicContact CG2-CG 4.35Å; T226-L230 WeakPolarHBondContact O-CB 3.49Å; T226-L230 VanDerWaalsContact O-CG 3.25Å; T226-L230 WeakPolarHBondContact O-CG 3.44Å; T226-L230 PolarHBondContact O-N 2.92Å; T226-D253 WeakPolarHBondContact CB-OD1 3.35Å; T226-D253 PolarHBondContact OG1-OD1 2.99Å; T226-I254 HydrophobicContact CG2-CB 4.06Å; T226-I254 HydrophobicContact CG2-CG1 4.26Å; T226-R257 HydrophobicContact CG2-CB 3.77Å; T226-R257 HydrophobicContact CG2-CG 3.87Å
227T95.6Very high95.1Very high86 Ų8650.4 Ų50.453%0.52825%0.25SS..Hα-helixtrans-60.9-48.9177.5-50.50000112.1T225 I229 L230 D231T225-T227 PolarHBondContact O-N 3.16Å; T227-I229 VanDerWaalsContact C-N 3.3Å; T227-I229 PolarHBondContact O-N 3.15Å; T227-L230 PolarHBondContact O-N 2.88Å; T227-D231 PolarHBondContact O-N 3.43Å
228Q97.1Very high95.1Very high92 Ų9254.1 Ų54.143%0.4327%0.268SS..Hα-helixtrans-61.6-39.1179.8-71.2167.3-50.900112.1M224 T225 D231 V232M224-Q228 HydrophobicContact CB-CB 4.21Å; M224-Q228 HydrophobicContact CE-CB 3.69Å; T225-Q228 PolarHBondContact O-N 2.89Å; T225-Q228 VanDerWaalsContact OG1-CG 3.25Å; T225-Q228 WeakPolarHBondContact OG1-CG 3.35Å; T225-Q228 PolarHBondContact OG1-N 3.32Å; T225-Q228 PolarHBondContact OG1-OE1 2.88Å; Q228-D231 PolarHBondContact O-N 3.42Å; Q228-V232 PolarHBondContact O-N 3.25Å
229I96.7Very high95.3Very high5 Ų553.4 Ų53.43%0.02626%0.264CS..Hα-helixtrans-65.3-46.4177.1-59.8161.4000110I201 M216 L222 M224 T225 T226 T227 D231 V232 V233 I254I201-I229 HydrophobicContact CD1-CG2 3.93Å; M216-I229 HydrophobicContact CE-CG2 4.01Å; L222-I229 HydrophobicContact CD2-CD1 3.55Å; L222-I229 HydrophobicContact CD2-CG1 4.28Å; L222-I229 HydrophobicContact CG-CD1 4.21Å; M224-I229 HydrophobicContact CB-CD1 4.09Å; M224-I229 HydrophobicContact CB-CG1 3.54Å; M224-I229 HydrophobicContact SD-CG1 4.32Å; T225-I229 WeakPolarHBondContact O-CG1 3.19Å; T225-I229 PolarHBondContact O-N 3.1Å; T226-I229 PolarHBondContact O-N 2.93Å; T227-I229 VanDerWaalsContact C-N 3.3Å; T227-I229 PolarHBondContact O-N 3.15Å; I229-D231 VanDerWaalsContact C-N 3.27Å; I229-D231 PolarHBondContact O-N 3.15Å; I229-V232 PolarHBondContact O-N 2.99Å; I229-V233 HydrophobicContact CG2-CG2 4.29Å; I229-V233 VanDerWaalsContact O-CG2 3.31Å; I229-V233 WeakPolarHBondContact O-CG2 3.43Å; I229-V233 PolarHBondContact O-N 2.67Å; I229-I254 HydrophobicContact CB-CD1 3.83Å; I229-I254 HydrophobicContact CD1-CD1 3.83Å; I229-I254 HydrophobicContact CG1-CD1 4.43Å; I229-I254 HydrophobicContact CG2-CD1 3.36Å
230L97.2Very high95.5Very high10 Ų1055.3 Ų55.35%0.05227%0.274CS..Hα-helixtrans-62.9-33.7177.9-68.6176.4000112.4T226 T227 V233 R234 I254 R257 L258 I264T226-L230 HydrophobicContact CG2-CD1 3.93Å; T226-L230 HydrophobicContact CG2-CG 4.35Å; T226-L230 WeakPolarHBondContact O-CB 3.49Å; T226-L230 VanDerWaalsContact O-CG 3.25Å; T226-L230 WeakPolarHBondContact O-CG 3.44Å; T226-L230 PolarHBondContact O-N 2.92Å; T227-L230 PolarHBondContact O-N 2.88Å; L230-V233 PolarHBondContact O-N 2.93Å; L230-R234 VanDerWaalsContact O-CB 3.26Å; L230-R234 WeakPolarHBondContact O-CB 3.3Å; L230-R234 PolarHBondContact O-N 3.39Å; L230-I254 HydrophobicContact CD2-CG1 4.48Å; L230-R257 HydrophobicContact CD1-CB 3.86Å; L230-L258 HydrophobicContact CD2-CB 3.86Å; L230-L258 HydrophobicContact CD2-CD1 3.69Å; L230-L258 HydrophobicContact CD2-CG 4.39Å; L230-I264 HydrophobicContact CB-CD1 4.45Å; L230-I264 HydrophobicContact CD2-CD1 4.17Å
231D97.4Very high96Very high75 Ų7554.6 Ų54.640%0.40127%0.273SS..Hα-helixtrans-64.7-42.4176-68.5-21.8000112T227 Q228 I229 R234T227-D231 PolarHBondContact O-N 3.43Å; Q228-D231 PolarHBondContact O-N 3.42Å; I229-D231 VanDerWaalsContact C-N 3.27Å; I229-D231 PolarHBondContact O-N 3.15Å; D231-R234 IonicContact OD1-CZ 2.69Å; D231-R234 IonicContact OD1-NH1 3.8Å; D231-R234 PolarHBondContact OD1-NH1 3.49Å
232V98.1Very high96.4Very high7 Ų752.2 Ų52.24%0.04226%0.256CS..Hα-helixtrans-64.5-49.5172.9175.40000110.6I201 L204 L205 M224 Q228 I229 R234 E235 L236I201-V232 HydrophobicContact CD1-CB 4.09Å; I201-V232 HydrophobicContact CD1-CG1 3.9Å; I201-V232 HydrophobicContact CG1-CB 4.29Å; I201-V232 HydrophobicContact CG1-CG1 4.1Å; I201-V232 HydrophobicContact CG1-CG2 4.39Å; L204-V232 HydrophobicContact CB-CG1 4.47Å; L205-V232 HydrophobicContact CD2-CG1 4.08Å; L205-V232 HydrophobicContact CG-CG1 4.32Å; M224-V232 HydrophobicContact CE-CG2 3.96Å; Q228-V232 PolarHBondContact O-N 3.25Å; I229-V232 PolarHBondContact O-N 2.99Å; V232-R234 VanDerWaalsContact C-N 3.26Å; V232-R234 PolarHBondContact O-N 2.91Å; V232-E235 PolarHBondContact O-N 3.49Å; V232-E235 VanDerWaalsContact O-N 3.09Å; V232-L236 PolarHBondContact O-N 3.28Å
233V97.7Very high96.6Very high3 Ų350.3 Ų50.32%0.01825%0.246CC..Hα-helixtrans-60.3-35.8-178.5170.50000111.9M216 I229 L230 E235 L236 L242 I264 L265M216-V233 HydrophobicContact CE-CG2 4.2Å; I229-V233 HydrophobicContact CG2-CG2 4.29Å; I229-V233 VanDerWaalsContact O-CG2 3.31Å; I229-V233 WeakPolarHBondContact O-CG2 3.43Å; I229-V233 PolarHBondContact O-N 2.67Å; L230-V233 PolarHBondContact O-N 2.93Å; V233-E235 VanDerWaalsContact C-N 3.27Å; V233-E235 PolarHBondContact O-N 2.93Å; V233-L236 PolarHBondContact O-N 2.83Å; V233-L236 VanDerWaalsContact O-N 3.15Å; V233-L242 HydrophobicContact CG1-CD2 4.02Å; V233-I264 HydrophobicContact CG1-CD1 4.27Å; V233-I264 HydrophobicContact CG1-CG1 4.41Å; V233-L265 HydrophobicContact CG1-CD1 3.59Å; V233-L265 HydrophobicContact CG1-CD2 4Å; V233-L265 HydrophobicContact CG1-CG 3.93Å; V233-L265 WeakPolarHBondContact O-CD2 3.43Å
234R96.8Very high96.8Very high65 Ų6542.3 Ų42.325%0.24521%0.211CC..Hα-helixtrans-61.9-34.3176.5-173.6179.9-65.6103.8-2.6112.9L230 D231 V232 L236 Q261 I264L230-R234 VanDerWaalsContact O-CB 3.26Å; L230-R234 WeakPolarHBondContact O-CB 3.3Å; L230-R234 PolarHBondContact O-N 3.39Å; D231-R234 IonicContact OD1-CZ 2.69Å; D231-R234 IonicContact OD1-NH1 3.8Å; D231-R234 PolarHBondContact OD1-NH1 3.49Å; V232-R234 VanDerWaalsContact C-N 3.26Å; V232-R234 PolarHBondContact O-N 2.91Å; R234-L236 VanDerWaalsContact C-N 3.32Å; R234-Q261 VanDerWaalsContact NH2-OE1 3.13Å; R234-I264 HydrophobicContact CB-CD1 4.01Å; R234-I264 HydrophobicContact CB-CG1 4.18Å
235E97.1Very high96.9Very high69 Ų6941.3 Ų41.332%0.32221%0.207SC..Hα-helixtrans-76-19178-73.4-63.2117.900113.1L205 K208 V232 V233 K237L205-E235 HydrophobicContact CD2-CB 3.46Å; L205-E235 VanDerWaalsContact CD2-CB 3.46Å; L205-E235 HydrophobicContact CD2-CG 4.11Å; K208-E235 HydrophobicContact CD-CB 4.45Å; K208-E235 IonicContact NZ-OE2 3.92Å; K208-E235 PolarHBondContact NZ-OE2 3.47Å; K208-E235 VanDerWaalsContact NZ-OE2 3.11Å; V232-E235 PolarHBondContact O-N 3.49Å; V232-E235 VanDerWaalsContact O-N 3.09Å; V233-E235 VanDerWaalsContact C-N 3.27Å; V233-E235 PolarHBondContact O-N 2.93Å; E235-K237 PolarHBondContact O-N 3.13Å
236L97.1Very high96.9Very high0 Ų037.9 Ų37.90%019%0.185CC..  trans-78.958.3176.8-55.9179000111.9L204 K208 L211 L214 V232 V233 R234 H238 L239L204-L236 HydrophobicContact CB-CD2 4.45Å; K208-L236 HydrophobicContact CB-CD2 3.76Å; L211-L236 HydrophobicContact CD2-CD1 4.24Å; L211-L236 HydrophobicContact CD2-CD2 4.46Å; L214-L236 HydrophobicContact CD2-CD1 3.95Å; V232-L236 PolarHBondContact O-N 3.28Å; V233-L236 PolarHBondContact O-N 2.83Å; V233-L236 VanDerWaalsContact O-N 3.15Å; R234-L236 VanDerWaalsContact C-N 3.32Å; L236-H238 PolarHBondContact O-N 3.07Å; L236-H238 VanDerWaalsContact O-N 3.11Å; L236-L239 HydrophobicContact CB-CB 4.25Å; L236-L239 WeakPolarHBondContact O-CB 3.38Å; L236-L239 PolarHBondContact O-N 3.09Å
237K94.9Very high96.6Very high116 Ų11638.5 Ų38.550%0.50419%0.188SC..THydrogen-bonded Turntrans-63.8-19.3-170.2-65.3174.2-176.8170.90115.4E235 N267E235-K237 PolarHBondContact O-N 3.13Å; K237-N267 PolarHBondContact O-ND2 3.24Å
238H96.2Very high95.6Very high92 Ų9238.2 Ų38.243%0.42618%0.18SC..THydrogen-bonded Turntrans-93.23.1178.8-65.3-72.4000113.7L211 L236 N240L211-H238 CarbonylContact O-C 3.45Å; L236-H238 PolarHBondContact O-N 3.07Å; L236-H238 VanDerWaalsContact O-N 3.11Å; H238-N240 PolarHBondContact O-N 3.13Å
239L97.9Very high94Very high0 Ų040.6 Ų40.60%019%0.19CC..  trans-71.4123.2-179.3-159.176.3000110.7L211 L214 L236 H241 L242 L265L211-L239 HydrophobicContact CD2-CD1 4.25Å; L211-L239 HydrophobicContact CG-CD1 4.09Å; L214-L239 HydrophobicContact CB-CD1 3.75Å; L214-L239 HydrophobicContact CB-CD2 4.23Å; L236-L239 HydrophobicContact CB-CB 4.25Å; L236-L239 WeakPolarHBondContact O-CB 3.38Å; L236-L239 PolarHBondContact O-N 3.09Å; L239-H241 WeakPolarHBondContact CG-O 3.47Å; L239-L242 HydrophobicContact CD2-CB 3.78Å; L239-L242 HydrophobicContact CD2-CD1 3.88Å; L239-L242 HydrophobicContact CD2-CG 4.28Å; L239-L265 HydrophobicContact CB-CD2 3.94Å; L239-L265 HydrophobicContact CD2-CD2 4.12Å
240N98.3Very high92.4Very high52 Ų5244.8 Ų44.828%0.27821%0.209SC..  trans-101.3-30.2177.5-65.9-24.7000111.2K212 H238 N267 L268 V269 S270K212-N240 WeakPolarHBondContact O-CA 3.07Å; K212-N240 PolarHBondContact O-N 3.26Å; H238-N240 PolarHBondContact O-N 3.13Å; N240-N267 PolarHBondContact OD1-O 3.37Å; N240-L268 WeakPolarHBondContact O-CD1 3.2Å; N240-V269 HydrophobicContact CB-CG2 4.1Å; N240-V269 WeakPolarHBondContact O-CG2 3.28Å; N240-V269 PolarHBondContact O-N 3.41Å; N240-S270 PolarHBondContact O-N 2.97Å; N240-S270 VanDerWaalsContact O-N 3.1Å
241H98.7Very high91Very high76 Ų7649.2 Ų49.235%0.35224%0.236SC..EExtended strand (participates in β ladder)trans-126.4124.7-179.8-54.174.7000109.7K212 S213 L214 L239 S270K212-H241 PolarHBondContact O-N 2.92Å; S213-H241 WeakPolarHBondContact CA-O 3.45Å; L214-H241 PolarHBondContact N-O 3.19Å; L239-H241 WeakPolarHBondContact CG-O 3.47Å; H241-S270 WeakPolarHBondContact CA-O 3.4Å; H241-S270 WeakPolarHBondContact CD2-CB 3.45Å
242L98.7Very high90.3Very high2 Ų247 Ų471%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-128.2122.2173.9178.461.9000109.3L214 M216 V233 L239 I244 L258 L265 L268 S270 L271 D272L214-L242 HydrophobicContact CB-CD1 4.41Å; L214-L242 HydrophobicContact CD2-CD1 4.21Å; L214-L242 HydrophobicContact CG-CD1 4.46Å; L214-L242 WeakPolarHBondContact O-CA 3.46Å; M216-L242 HydrophobicContact CE-CD1 4.33Å; V233-L242 HydrophobicContact CG1-CD2 4.02Å; L239-L242 HydrophobicContact CD2-CB 3.78Å; L239-L242 HydrophobicContact CD2-CD1 3.88Å; L239-L242 HydrophobicContact CD2-CG 4.28Å; L242-I244 HydrophobicContact CD1-CG2 3.69Å; L242-I244 HydrophobicContact CD2-CG2 4.14Å; L242-I244 HydrophobicContact CG-CG2 3.86Å; L242-L258 HydrophobicContact CD2-CD2 3.96Å; L242-L265 HydrophobicContact CB-CD1 4.47Å; L242-L265 HydrophobicContact CD2-CD1 3.53Å; L242-L268 HydrophobicContact CB-CD1 3.88Å; L242-S270 PolarHBondContact N-O 2.68Å; L242-L271 HydrophobicContact CB-CD1 4.34Å; L242-L271 HydrophobicContact CD2-CD1 4.24Å; L242-L271 HydrophobicContact CG-CD1 4.35Å; L242-L271 CarbonylContact O-C 3.4Å; L242-L271 WeakPolarHBondContact O-CA 3.32Å; L242-D272 PolarHBondContact O-N 3.18Å
243D98.4Very high89.9Confident15 Ų1549.8 Ų49.88%0.0824%0.241CC..EExtended strand (participates in β ladder)trans-117.7112.5170179.3-15.2000109.4L214 T215 M216 S245 D272 R337L214-D243 PolarHBondContact O-N 3.24Å; T215-D243 HydrophobicContact CG2-CB 3.78Å; M216-D243 PolarHBondContact N-O 3.25Å; D243-S245 WeakPolarHBondContact OD1-CB 3.2Å; D243-S245 PolarHBondContact OD1-N 3.19Å; D243-S245 PolarHBondContact OD1-OG 2.82Å; D243-D272 HydrophobicContact CB-CB 3.86Å; D243-R337 IonicContact OD1-NH1 3.58Å; D243-R337 IonicContact OD2-CZ 3.69Å; D243-R337 IonicContact OD2-NH1 2.97Å; D243-R337 PolarHBondContact OD2-NH1 3.29Å; D243-R337 IonicContact OD2-NH2 3.51Å; D243-R337 PolarHBondContact OD2-NH2 3.42Å
244I96.5Very high89.7Confident4 Ų450 Ų502%0.02124%0.242CC..  trans-117.724.3174.760.7169.6000111.1M216 L242 I254 L258 D272 V273 R276M216-I244 HydrophobicContact CE-CB 4.43Å; M216-I244 HydrophobicContact CE-CG2 3.22Å; M216-I244 HydrophobicContact CG-CG2 3.98Å; M216-I244 HydrophobicContact SD-CG2 4.42Å; L242-I244 HydrophobicContact CD1-CG2 3.69Å; L242-I244 HydrophobicContact CD2-CG2 4.14Å; L242-I244 HydrophobicContact CG-CG2 3.86Å; I244-I254 HydrophobicContact CD1-CG1 4.28Å; I244-I254 HydrophobicContact CD1-CG2 4.43Å; I244-L258 HydrophobicContact CD1-CD2 3.75Å; I244-D272 WeakPolarHBondContact CG1-O 3.28Å; I244-D272 PolarHBondContact N-O 3.19Å; I244-V273 HydrophobicContact CD1-CG1 4.04Å; I244-V273 HydrophobicContact CG1-CG1 3.9Å; I244-R276 PolarHBondContact O-NE 2.84Å; I244-R276 PolarHBondContact O-NH2 2.78Å
245S96.3Very high89.6Confident0 Ų046.9 Ų46.90%023%0.231CC..  trans-62.4165.6179.665.20000112.6H217 H218 D243 D272 S274 R337H217-S245 VanDerWaalsContact CA-O 3.31Å; H217-S245 WeakPolarHBondContact CA-O 3.43Å; H217-S245 PolarHBondContact ND1-O 2.69Å; H217-S245 PolarHBondContact ND1-OG 3.13Å; H218-S245 PolarHBondContact N-O 2.64Å; H218-S245 VanDerWaalsContact N-O 3.12Å; D243-S245 WeakPolarHBondContact OD1-CB 3.2Å; D243-S245 PolarHBondContact OD1-N 3.19Å; D243-S245 PolarHBondContact OD1-OG 2.82Å; S245-D272 PolarHBondContact N-O 3.24Å; S245-S274 CarbonylContact C-O 3.47Å; S245-S274 WeakPolarHBondContact CA-O 3.46Å; S245-S274 WeakPolarHBondContact CB-O 3.42Å; S245-R337 PolarHBondContact OG-NH1 2.92Å
246D93.9Very high89.5Confident4 Ų445.5 Ų45.52%0.02123%0.225CC..  trans-150.8159.5-176.1-150.4-21.6000112.3H218 K248 F250 S274 G275 R276 F340H218-D246 IonicContact CE1-OD1 3.53Å; H218-D246 IonicContact CG-OD1 2.67Å; H218-D246 IonicContact ND1-OD1 3.7Å; H218-D246 PolarHBondContact ND1-OD1 3.13Å; D246-K248 PolarHBondContact O-N 3.06Å; D246-K248 VanDerWaalsContact O-N 3.15Å; D246-F250 WeakPolarHBondContact OD2-CB 3.14Å; D246-S274 PolarHBondContact N-O 3.12Å; D246-G275 VanDerWaalsContact O-CA 3.31Å; D246-G275 WeakPolarHBondContact O-CA 3.4Å; D246-R276 IonicContact OD2-CZ 3.94Å; D246-R276 IonicContact OD2-NH1 2.7Å; D246-R276 PolarHBondContact OD2-NH1 3.34Å; D246-R276 IonicContact OD2-NH2 2.89Å; D246-F340 WeakPolarHBondContact O-CE1 3.24Å; D246-F340 WeakPolarHBondContact O-CZ 3.47Å
247D88.9Confident89.4Confident36 Ų3650.3 Ų50.319%0.19324%0.243CC..  trans-86.334.1-178.7-80.6-5.5000113H217 Q249 F339H217-D247 IonicContact CE1-OD1 3.19Å; H217-D247 PolarHBondContact CE1-OD1 3.29Å; H217-D247 IonicContact NE2-OD1 2.97Å; H217-D247 PolarHBondContact NE2-OD1 2.71Å; D247-Q249 PolarHBondContact O-N 2.77Å; D247-F339 HydrophobicContact CB-CB 4.32Å; D247-F339 HydrophobicContact CB-CD1 4.04Å; D247-F339 HydrophobicContact CB-CD2 4.36Å; D247-F339 HydrophobicContact CB-CG 3.98Å; D247-F339 WeakPolarHBondContact OD1-CB 3.42Å; D247-F339 WeakPolarHBondContact OD1-CD1 3.48Å
248K74.5Confident89.5Confident80 Ų8044.8 Ų44.835%0.34822%0.22SC..SBendtrans59.8-2-173.9-83.6-175.5176.4161.10116.8D246 A301 F339 E343D246-K248 PolarHBondContact O-N 3.06Å; D246-K248 VanDerWaalsContact O-N 3.15Å; K248-A301 HydrophobicContact CD-CB 4.31Å; K248-A301 VanDerWaalsContact CE-CB 3.45Å; K248-A301 WeakPolarHBondContact CE-O 3.11Å; K248-F339 HydrophobicContact CB-CZ 3.88Å; K248-F339 HydrophobicContact CD-CZ 4.07Å; K248-F339 HydrophobicContact CG-CE1 4.47Å; K248-F339 HydrophobicContact CG-CZ 3.99Å; K248-E343 IonicContact NZ-OE1 3.72Å; K248-E343 PolarHBondContact NZ-OE1 3.34Å
249Q62.4Low89.6Confident141 Ų14140.8 Ų40.866%0.65920%0.201SC*.  trans-74.1-33.9-176.2-67.5-172.920.100113.8D247D247-Q249 PolarHBondContact O-N 2.77Å
250F64.1Low89.5Confident93 Ų9345.5 Ų45.541%0.40822%0.223SC..  trans-105.5118.7-177.3-59.7-78.7000112H218 D246 S252H218-F250 AromaticContact CE1-CE2 3.6Å; H218-F250 AromaticContact ND1-CE2 3.95Å; D246-F250 WeakPolarHBondContact OD2-CB 3.14Å; F250-S252 PolarHBondContact O-N 2.76Å; F250-S252 VanDerWaalsContact O-N 3.12Å
251T67.7Low89.3Confident103 Ų10345 Ų4563%0.63222%0.219SC*.  trans-82.684.1173.356.80000109.8K277T251-K277 HydrophobicContact CG2-CD 3.86Å
252S82.6Confident88.8Confident29 Ų2949.1 Ų49.120%0.20324%0.236CC..  trans-108.5141.21691750000110.1F250 I254F250-S252 PolarHBondContact O-N 2.76Å; F250-S252 VanDerWaalsContact O-N 3.12Å; S252-I254 PolarHBondContact O-N 3.45Å; S252-I254 WeakPolarHBondContact OG-CB 3.45Å; S252-I254 WeakPolarHBondContact OG-CG2 3.39Å; S252-I254 PolarHBondContact OG-N 2.95Å; S252-I254 VanDerWaalsContact OG-N 3.14Å
253D89.5Confident88.3Confident65 Ų6554.3 Ų54.335%0.34826%0.264SS..  trans-80.72.8173.267.2-19000112.9T226 A255 L256 R257T226-D253 WeakPolarHBondContact CB-OD1 3.35Å; T226-D253 PolarHBondContact OG1-OD1 2.99Å; D253-A255 VanDerWaalsContact C-N 3.27Å; D253-A255 PolarHBondContact O-N 2.7Å; D253-A255 VanDerWaalsContact O-N 3.14Å; D253-L256 PolarHBondContact O-N 3.3Å; D253-R257 HydrophobicContact CB-CG 4.12Å; D253-R257 WeakPolarHBondContact O-CG 3.34Å; D253-R257 PolarHBondContact O-N 3.23Å; D253-R257 WeakPolarHBondContact OD2-CG 3.14Å
254I93.5Very high88.2Confident7 Ų753.6 Ų53.64%0.03626%0.26CS..Hα-helixtrans-51.5-41.4-174.5-172.9169.4000114T226 I229 L230 I244 S252 R257 L258T226-I254 HydrophobicContact CG2-CB 4.06Å; T226-I254 HydrophobicContact CG2-CG1 4.26Å; I229-I254 HydrophobicContact CB-CD1 3.83Å; I229-I254 HydrophobicContact CD1-CD1 3.83Å; I229-I254 HydrophobicContact CG1-CD1 4.43Å; I229-I254 HydrophobicContact CG2-CD1 3.36Å; L230-I254 HydrophobicContact CD2-CG1 4.48Å; I244-I254 HydrophobicContact CD1-CG1 4.28Å; I244-I254 HydrophobicContact CD1-CG2 4.43Å; S252-I254 PolarHBondContact O-N 3.45Å; S252-I254 WeakPolarHBondContact OG-CB 3.45Å; S252-I254 WeakPolarHBondContact OG-CG2 3.39Å; S252-I254 PolarHBondContact OG-N 2.95Å; S252-I254 VanDerWaalsContact OG-N 3.14Å; I254-R257 PolarHBondContact O-N 2.65Å; I254-L258 WeakPolarHBondContact O-CB 3.48Å; I254-L258 PolarHBondContact O-N 3.4Å
255A94.5Very high88.1Confident0 Ų053.5 Ų53.50%026%0.259CS..Hα-helixtrans-64.3-4917900000111.3D253 R257 L258 L259 V273 R276 V279D253-A255 VanDerWaalsContact C-N 3.27Å; D253-A255 PolarHBondContact O-N 2.7Å; D253-A255 VanDerWaalsContact O-N 3.14Å; A255-R257 PolarHBondContact O-N 3.13Å; A255-L258 PolarHBondContact O-N 3.04Å; A255-L259 WeakPolarHBondContact O-CB 3.42Å; A255-L259 WeakPolarHBondContact O-CG 3.49Å; A255-L259 PolarHBondContact O-N 2.85Å; A255-V273 HydrophobicContact CB-CB 3.91Å; A255-V273 HydrophobicContact CB-CG1 3.88Å; A255-R276 HydrophobicContact CB-CB 3.61Å; A255-R276 HydrophobicContact CB-CG 3.86Å; A255-V279 HydrophobicContact CB-CG2 3.85Å
256L94.9Very high87.9Confident40 Ų4057 Ų5721%0.20928%0.283CS..Hα-helixtrans-60.8-48.1176.8176.961.7000110.9D253 L258 L259 E260 H278 A283D253-L256 PolarHBondContact O-N 3.3Å; L256-L258 VanDerWaalsContact C-N 3.29Å; L256-L258 PolarHBondContact O-N 3.5Å; L256-L259 PolarHBondContact O-N 3.31Å; L256-L259 VanDerWaalsContact O-N 3.14Å; L256-E260 HydrophobicContact CD1-CG 4.39Å; L256-E260 WeakPolarHBondContact O-CG 3.41Å; L256-E260 PolarHBondContact O-N 3.49Å; L256-H278 HydrophobicContact CB-CB 4.41Å; L256-H278 HydrophobicContact CD2-CB 3.96Å; L256-A283 HydrophobicContact CD1-CB 4.42Å
257R96Very high87.9Confident101 Ų10160.9 Ų60.938%0.38130%0.303SS..Hα-helixtrans-63.7-34.8-178.6-60.8-65.3-80.9138.4-4.4112.3T226 L230 D253 I254 A255 E260 Q261T226-R257 HydrophobicContact CG2-CB 3.77Å; T226-R257 HydrophobicContact CG2-CG 3.87Å; L230-R257 HydrophobicContact CD1-CB 3.86Å; D253-R257 HydrophobicContact CB-CG 4.12Å; D253-R257 WeakPolarHBondContact O-CG 3.34Å; D253-R257 PolarHBondContact O-N 3.23Å; D253-R257 WeakPolarHBondContact OD2-CG 3.14Å; I254-R257 PolarHBondContact O-N 2.65Å; A255-R257 PolarHBondContact O-N 3.13Å; R257-E260 IonicContact CZ-OE2 2.62Å; R257-E260 IonicContact NH1-OE2 2.99Å; R257-E260 PolarHBondContact NH1-OE2 3.3Å; R257-Q261 WeakPolarHBondContact O-CG 3.43Å; R257-Q261 PolarHBondContact O-NE2 3.27Å
258L96.9Very high88.4Confident1 Ų159.1 Ų59.11%0.00529%0.294CS..Hα-helixtrans-64.4-49.2171.417968.8000111.3L230 L242 I244 I254 A255 L256 E260 Q261 I264 L265 L271L230-L258 HydrophobicContact CD2-CB 3.86Å; L230-L258 HydrophobicContact CD2-CD1 3.69Å; L230-L258 HydrophobicContact CD2-CG 4.39Å; L242-L258 HydrophobicContact CD2-CD2 3.96Å; I244-L258 HydrophobicContact CD1-CD2 3.75Å; I254-L258 WeakPolarHBondContact O-CB 3.48Å; I254-L258 PolarHBondContact O-N 3.4Å; A255-L258 PolarHBondContact O-N 3.04Å; L256-L258 VanDerWaalsContact C-N 3.29Å; L256-L258 PolarHBondContact O-N 3.5Å; L258-E260 PolarHBondContact O-N 2.93Å; L258-Q261 WeakPolarHBondContact O-CB 3.42Å; L258-Q261 PolarHBondContact O-N 3.42Å; L258-I264 HydrophobicContact CD1-CD1 3.91Å; L258-I264 HydrophobicContact CD1-CG1 4.25Å; L258-I264 HydrophobicContact CD1-CG2 3.81Å; L258-L265 HydrophobicContact CD1-CD1 4.45Å; L258-L271 HydrophobicContact CD2-CD1 3.85Å
259L97Very high89.5Confident7 Ų756.5 Ų56.54%0.03728%0.284CS..Hα-helixtrans-61.8-28-179.4-69.7169.7000112.5A255 L256 Q261 L271 V279 A283 V284 F287A255-L259 WeakPolarHBondContact O-CB 3.42Å; A255-L259 WeakPolarHBondContact O-CG 3.49Å; A255-L259 PolarHBondContact O-N 2.85Å; L256-L259 PolarHBondContact O-N 3.31Å; L256-L259 VanDerWaalsContact O-N 3.14Å; L259-Q261 VanDerWaalsContact C-N 3.34Å; L259-L271 HydrophobicContact CD2-CD2 3.89Å; L259-V279 HydrophobicContact CD1-CG1 3.94Å; L259-V279 HydrophobicContact CD1-CG2 4.5Å; L259-A283 HydrophobicContact CB-CB 4.19Å; L259-A283 HydrophobicContact CD1-CB 4.31Å; L259-V284 HydrophobicContact CD1-CG2 3.89Å; L259-V284 HydrophobicContact CD2-CG2 4.41Å; L259-F287 HydrophobicContact CD2-CB 3.7Å; L259-F287 HydrophobicContact CD2-CD1 4.03Å; L259-F287 HydrophobicContact CD2-CD2 4.06Å; L259-F287 HydrophobicContact CD2-CG 3.67Å
260E95.6Very high91.2Very high100 Ų10050.4 Ų50.447%0.46726%0.257SS..THydrogen-bonded Turntrans-75.4-16.8174.6-71.1175.6161.100114.1L256 R257 L258L256-E260 HydrophobicContact CD1-CG 4.39Å; L256-E260 WeakPolarHBondContact O-CG 3.41Å; L256-E260 PolarHBondContact O-N 3.49Å; R257-E260 IonicContact CZ-OE2 2.62Å; R257-E260 IonicContact NH1-OE2 2.99Å; R257-E260 PolarHBondContact NH1-OE2 3.3Å; L258-E260 PolarHBondContact O-N 2.93Å
261Q94.6Very high92.9Very high40 Ų4046.1 Ų46.119%0.18724%0.238CC..  trans-80.3125-179.8-58-55.2-7700111.5R234 R257 L258 L259 I264 R291R234-Q261 VanDerWaalsContact NH2-OE1 3.13Å; R257-Q261 WeakPolarHBondContact O-CG 3.43Å; R257-Q261 PolarHBondContact O-NE2 3.27Å; L258-Q261 WeakPolarHBondContact O-CB 3.42Å; L258-Q261 PolarHBondContact O-N 3.42Å; L259-Q261 VanDerWaalsContact C-N 3.34Å; Q261-I264 HydrophobicContact CB-CB 3.8Å; Q261-I264 HydrophobicContact CB-CG2 3.42Å; Q261-I264 VanDerWaalsContact CB-CG2 3.42Å; Q261-I264 HydrophobicContact CG-CB 4.4Å; Q261-I264 HydrophobicContact CG-CD1 4.29Å; Q261-I264 HydrophobicContact CG-CG2 4.2Å; Q261-R291 PolarHBondContact O-NH2 3.16Å
262K89.2Confident94.3Very high163 Ų16341.4 Ų41.471%0.70921%0.21SC*.SBendtrans-85-28.8-177.5-62.9-174.5179.61800114.4Q290K262-Q290 PolarHBondContact O-OE1 2.87Å
263D87.9Confident95Very high111 Ų11140 Ų4059%0.59420%0.2SC*.SBendtrans-106.5-6.5-169.963.3-35.6000113.8
264I95.1Very high95.4Very high0 Ų037 Ų370%018%0.183CC..SBendtrans-76.1141.2-179.4-157.9151.5000111L230 V233 R234 L258 Q261 F287 R291L230-I264 HydrophobicContact CB-CD1 4.45Å; L230-I264 HydrophobicContact CD2-CD1 4.17Å; V233-I264 HydrophobicContact CG1-CD1 4.27Å; V233-I264 HydrophobicContact CG1-CG1 4.41Å; R234-I264 HydrophobicContact CB-CD1 4.01Å; R234-I264 HydrophobicContact CB-CG1 4.18Å; L258-I264 HydrophobicContact CD1-CD1 3.91Å; L258-I264 HydrophobicContact CD1-CG1 4.25Å; L258-I264 HydrophobicContact CD1-CG2 3.81Å; Q261-I264 HydrophobicContact CB-CB 3.8Å; Q261-I264 HydrophobicContact CB-CG2 3.42Å; Q261-I264 VanDerWaalsContact CB-CG2 3.42Å; Q261-I264 HydrophobicContact CG-CB 4.4Å; Q261-I264 HydrophobicContact CG-CD1 4.29Å; Q261-I264 HydrophobicContact CG-CG2 4.2Å; I264-F287 HydrophobicContact CG2-CE2 4.23Å; I264-R291 PolarHBondContact O-NH2 3.14Å
265L95.7Very high95.4Very high2 Ų236.7 Ų36.71%0.0118%0.182CC..  trans45.962.3172-56173.1000114.3V233 L239 L242 L258 N267 L268 R291V233-L265 HydrophobicContact CG1-CD1 3.59Å; V233-L265 HydrophobicContact CG1-CD2 4Å; V233-L265 HydrophobicContact CG1-CG 3.93Å; V233-L265 WeakPolarHBondContact O-CD2 3.43Å; L239-L265 HydrophobicContact CB-CD2 3.94Å; L239-L265 HydrophobicContact CD2-CD2 4.12Å; L242-L265 HydrophobicContact CB-CD1 4.47Å; L242-L265 HydrophobicContact CD2-CD1 3.53Å; L258-L265 HydrophobicContact CD1-CD1 4.45Å; L265-N267 PolarHBondContact O-N 2.77Å; L265-L268 HydrophobicContact CB-CB 4.09Å; L265-L268 HydrophobicContact CB-CD1 4.43Å; L265-L268 HydrophobicContact CB-CD2 4.43Å; L265-L268 HydrophobicContact CD1-CD1 4.16Å; L265-L268 HydrophobicContact CD1-CD2 4.09Å; L265-L268 WeakPolarHBondContact O-CB 3.38Å; L265-L268 PolarHBondContact O-N 3.33Å; L265-R291 PolarHBondContact O-NE 3.33Å
266P92Very high95.4Very high75 Ų7537.7 Ų37.749%0.48719%0.186SC..THydrogen-bonded Turntrans-65.8-24.2-174.526.2-35.4000113.8
267N94.3Very high95.1Very high84 Ų8440.5 Ų40.545%0.44920%0.196SC..THydrogen-bonded Turntrans-96.18.4-177.5-58.7-49.7000113.4K237 N240 L265 V269K237-N267 PolarHBondContact O-ND2 3.24Å; N240-N267 PolarHBondContact OD1-O 3.37Å; L265-N267 PolarHBondContact O-N 2.77Å; N267-V269 PolarHBondContact O-N 2.74Å
268L97.8Very high94.9Very high0 Ų041.6 Ų41.60%021%0.206CC..  trans-64.7127.8-174.9-158.171.1000110.8N240 L242 L265 L271 F287 M294N240-L268 WeakPolarHBondContact O-CD1 3.2Å; L242-L268 HydrophobicContact CB-CD1 3.88Å; L265-L268 HydrophobicContact CB-CB 4.09Å; L265-L268 HydrophobicContact CB-CD1 4.43Å; L265-L268 HydrophobicContact CB-CD2 4.43Å; L265-L268 HydrophobicContact CD1-CD1 4.16Å; L265-L268 HydrophobicContact CD1-CD2 4.09Å; L265-L268 WeakPolarHBondContact O-CB 3.38Å; L265-L268 PolarHBondContact O-N 3.33Å; L268-L271 HydrophobicContact CD2-CB 3.82Å; L268-L271 HydrophobicContact CD2-CD1 4.14Å; L268-L271 HydrophobicContact CD2-CG 4.4Å; L268-F287 HydrophobicContact CD2-CE1 4.11Å; L268-F287 HydrophobicContact CD2-CZ 4.19Å; L268-M294 HydrophobicContact CB-CE 4.34Å; L268-M294 HydrophobicContact CD2-CE 4.4Å
269V98.3Very high94.8Very high25 Ų2542 Ų4215%0.15221%0.208CC..  trans-110.8-14.2175.9-56.40000112.5N240 N267 Q295 F296N240-V269 HydrophobicContact CB-CG2 4.1Å; N240-V269 WeakPolarHBondContact O-CG2 3.28Å; N240-V269 PolarHBondContact O-N 3.41Å; N267-V269 PolarHBondContact O-N 2.74Å; V269-Q295 PolarHBondContact O-N 3.03Å; V269-F296 PolarHBondContact O-N 3.33Å; V269-F296 VanDerWaalsContact O-N 3.1Å
270S98.6Very high94.7Very high13 Ų1344.9 Ų44.99%0.09123%0.226CC..EExtended strand (participates in β ladder)trans-146.7118.8-175.91720000109.9N240 H241 L242 F296N240-S270 PolarHBondContact O-N 2.97Å; N240-S270 VanDerWaalsContact O-N 3.1Å; H241-S270 WeakPolarHBondContact CA-O 3.4Å; H241-S270 WeakPolarHBondContact CD2-CB 3.45Å; L242-S270 PolarHBondContact N-O 2.68Å; S270-F296 WeakPolarHBondContact CA-O 3.16Å; S270-F296 VanDerWaalsContact OG-CD1 3.28Å; S270-F296 WeakPolarHBondContact OG-CD1 3.31Å
271L98.6Very high94.8Very high2 Ų241.7 Ų41.71%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-122.9129.4175.4177.161000110.3L242 L258 L259 L268 V273 F287 F296 V297 G298L242-L271 HydrophobicContact CB-CD1 4.34Å; L242-L271 HydrophobicContact CD2-CD1 4.24Å; L242-L271 HydrophobicContact CG-CD1 4.35Å; L242-L271 CarbonylContact O-C 3.4Å; L242-L271 WeakPolarHBondContact O-CA 3.32Å; L258-L271 HydrophobicContact CD2-CD1 3.85Å; L259-L271 HydrophobicContact CD2-CD2 3.89Å; L268-L271 HydrophobicContact CD2-CB 3.82Å; L268-L271 HydrophobicContact CD2-CD1 4.14Å; L268-L271 HydrophobicContact CD2-CG 4.4Å; L271-V273 HydrophobicContact CD1-CG1 4Å; L271-V273 HydrophobicContact CD2-CG1 4.18Å; L271-V273 HydrophobicContact CG-CG1 4Å; L271-F287 HydrophobicContact CD2-CD1 4.05Å; L271-F287 HydrophobicContact CD2-CE1 3.66Å; L271-F287 HydrophobicContact CD2-CZ 4.17Å; L271-F296 PolarHBondContact N-O 3.16Å; L271-V297 CarbonylContact O-C 3.48Å; L271-V297 WeakPolarHBondContact O-CA 3.48Å; L271-G298 PolarHBondContact O-N 2.83Å
272D98.4Very high95Very high5 Ų548 Ų483%0.02724%0.239CC..EExtended strand (participates in β ladder)trans-118.3119.4170.4-155.7-32.4000111.1L242 D243 I244 S245 S274 F296 Y334L242-D272 PolarHBondContact O-N 3.18Å; D243-D272 HydrophobicContact CB-CB 3.86Å; I244-D272 WeakPolarHBondContact CG1-O 3.28Å; I244-D272 PolarHBondContact N-O 3.19Å; S245-D272 PolarHBondContact N-O 3.24Å; D272-S274 WeakPolarHBondContact OD1-CB 3.33Å; D272-S274 PolarHBondContact OD1-N 2.94Å; D272-S274 PolarHBondContact OD1-OG 3.32Å; D272-F296 HydrophobicContact CB-CE1 4.14Å; D272-Y334 VanDerWaalsContact CG-OH 3.22Å; D272-Y334 PolarHBondContact OD1-OH 3.08Å; D272-Y334 WeakPolarHBondContact OD2-CE1 3.48Å; D272-Y334 VanDerWaalsContact OD2-CZ 3.23Å; D272-Y334 PolarHBondContact OD2-OH 2.64Å
273V97.1Very high95.3Very high0 Ų041.1 Ų41.10%021%0.212CC..  trans-123.419.1176.2-64.20000111.4I244 A255 L271 R276 V279 G298 L299 T302I244-V273 HydrophobicContact CD1-CG1 4.04Å; I244-V273 HydrophobicContact CG1-CG1 3.9Å; A255-V273 HydrophobicContact CB-CB 3.91Å; A255-V273 HydrophobicContact CB-CG1 3.88Å; L271-V273 HydrophobicContact CD1-CG1 4Å; L271-V273 HydrophobicContact CD2-CG1 4.18Å; L271-V273 HydrophobicContact CG-CG1 4Å; V273-R276 HydrophobicContact CB-CG 4.46Å; V273-R276 WeakPolarHBondContact O-CB 3.24Å; V273-R276 VanDerWaalsContact O-CG 3.24Å; V273-R276 WeakPolarHBondContact O-CG 3.28Å; V273-R276 PolarHBondContact O-N 3.36Å; V273-V279 HydrophobicContact CG2-CG1 4.31Å; V273-V279 HydrophobicContact CG2-CG2 4.15Å; V273-G298 CarbonylContact C-O 3.2Å; V273-G298 VanDerWaalsContact CG2-O 3.26Å; V273-G298 WeakPolarHBondContact CG2-O 3.3Å; V273-G298 PolarHBondContact N-O 2.84Å; V273-L299 HydrophobicContact CG2-CD2 3.87Å; V273-T302 WeakPolarHBondContact O-CG2 3.26Å
274S96.9Very high95.8Very high0 Ų035.9 Ų35.90%018%0.184CC..THydrogen-bonded Turntrans-54.1141.3-179.3-57.70000111.9S245 D246 D272 R276 G298 L299 L300 Y334S245-S274 CarbonylContact C-O 3.47Å; S245-S274 WeakPolarHBondContact CA-O 3.46Å; S245-S274 WeakPolarHBondContact CB-O 3.42Å; D246-S274 PolarHBondContact N-O 3.12Å; D272-S274 WeakPolarHBondContact OD1-CB 3.33Å; D272-S274 PolarHBondContact OD1-N 2.94Å; D272-S274 PolarHBondContact OD1-OG 3.32Å; S274-R276 PolarHBondContact O-N 3.01Å; S274-G298 PolarHBondContact N-O 2.99Å; S274-L299 PolarHBondContact OG-N 2.88Å; S274-L300 CarbonylContact C-O 3.59Å; S274-L300 VanDerWaalsContact CA-O 3.22Å; S274-L300 WeakPolarHBondContact CA-O 3.43Å; S274-L300 VanDerWaalsContact CB-O 3.3Å; S274-L300 WeakPolarHBondContact CB-O 3.47Å; S274-L300 PolarHBondContact OG-N 3.11Å; S274-Y334 PolarHBondContact OG-OH 3.32Å
275G94.9Very high95.9Very high1 Ų138.1 Ų38.11%0.0120%0.195CC..THydrogen-bonded Turntrans69.86.4-178.800000116D246 L300 A301D246-G275 VanDerWaalsContact O-CA 3.31Å; D246-G275 WeakPolarHBondContact O-CA 3.4Å; G275-L300 PolarHBondContact N-O 3.27Å; G275-A301 WeakPolarHBondContact CA-O 3.25Å
276R93.5Very high95.9Very high21 Ų2139.9 Ų39.98%0.07921%0.21CC..  trans-85.8148.3170.6-61.1-71.3-170.8-163.6-9.3111I244 D246 A255 V273 S274 V279I244-R276 PolarHBondContact O-NE 2.84Å; I244-R276 PolarHBondContact O-NH2 2.78Å; D246-R276 IonicContact OD2-CZ 3.94Å; D246-R276 IonicContact OD2-NH1 2.7Å; D246-R276 PolarHBondContact OD2-NH1 3.34Å; D246-R276 IonicContact OD2-NH2 2.89Å; A255-R276 HydrophobicContact CB-CB 3.61Å; A255-R276 HydrophobicContact CB-CG 3.86Å; V273-R276 HydrophobicContact CB-CG 4.46Å; V273-R276 WeakPolarHBondContact O-CB 3.24Å; V273-R276 VanDerWaalsContact O-CG 3.24Å; V273-R276 WeakPolarHBondContact O-CG 3.28Å; V273-R276 PolarHBondContact O-N 3.36Å; S274-R276 PolarHBondContact O-N 3.01Å; R276-V279 HydrophobicContact CB-CG2 4.24Å
277K89.3Confident96.2Very high99 Ų9936.3 Ų36.343%0.4319%0.187SC..SBendtrans-88.8163.9177.6-63.5-167.3-179.1-179.60111.9T251 V279T251-K277 HydrophobicContact CG2-CD 3.86Å; K277-V279 PolarHBondContact O-N 3.39Å; K277-V279 VanDerWaalsContact O-N 3.13Å
278H90.7Very high96.2Very high124 Ų12432.8 Ų32.857%0.57417%0.168SC*.SBendtrans63.910.8174.2-48.5-64.7000115.3L256L256-H278 HydrophobicContact CB-CB 4.41Å; L256-H278 HydrophobicContact CD2-CB 3.96Å
279V94.6Very high96.1Very high9 Ų939 Ų396%0.05520%0.197CC..  trans-69.4137.8168.6-178.20000107.9A255 L259 V273 R276 K277 V284 L299 T302 A304A255-V279 HydrophobicContact CB-CG2 3.85Å; L259-V279 HydrophobicContact CD1-CG1 3.94Å; L259-V279 HydrophobicContact CD1-CG2 4.5Å; V273-V279 HydrophobicContact CG2-CG1 4.31Å; V273-V279 HydrophobicContact CG2-CG2 4.15Å; R276-V279 HydrophobicContact CB-CG2 4.24Å; K277-V279 PolarHBondContact O-N 3.39Å; K277-V279 VanDerWaalsContact O-N 3.13Å; V279-V284 HydrophobicContact CG1-CG2 3.52Å; V279-L299 HydrophobicContact CG1-CD2 3.99Å; V279-T302 HydrophobicContact CG2-CG2 4.36Å; V279-A304 HydrophobicContact CB-CB 4.43Å; V279-A304 HydrophobicContact CG1-CB 3.95Å
280T96.1Very high95.9Very high69 Ų6941.8 Ų41.842%0.42321%0.208SC..  trans-134.2147.8178.762.90000109.8K282 A283 V284T280-K282 PolarHBondContact O-N 2.88Å; T280-A283 PolarHBondContact O-N 2.86Å; T280-A283 WeakPolarHBondContact OG1-CB 3.22Å; T280-A283 PolarHBondContact OG1-N 2.86Å; T280-V284 WeakPolarHBondContact O-CG2 3.41Å; T280-V284 PolarHBondContact O-N 3.19Å
281D97.9Very high95.7Very high33 Ų3341.5 Ų41.518%0.17621%0.205CC..Hα-helixtrans-52.4-44.6178.5-675.5000111.4A283 V284 E285 A304 G305 Y306 S307 L310D281-A283 VanDerWaalsContact C-N 3.34Å; D281-A283 PolarHBondContact O-N 2.93Å; D281-V284 PolarHBondContact O-N 3.48Å; D281-E285 WeakPolarHBondContact O-CB 3.24Å; D281-E285 VanDerWaalsContact O-CG 3.26Å; D281-E285 WeakPolarHBondContact O-CG 3.21Å; D281-E285 PolarHBondContact O-N 2.7Å; D281-A304 VanDerWaalsContact OD1-CA 3.28Å; D281-A304 WeakPolarHBondContact OD1-CA 3.49Å; D281-A304 WeakPolarHBondContact OD1-CB 3.39Å; D281-G305 PolarHBondContact OD1-N 3.29Å; D281-Y306 PolarHBondContact OD2-N 3.13Å; D281-S307 WeakPolarHBondContact OD2-CB 3.15Å; D281-S307 PolarHBondContact OD2-N 3.49Å; D281-L310 HydrophobicContact CB-CD1 4.03Å
282K97.4Very high95.4Very high173 Ų17346.7 Ų46.775%0.75224%0.239SC*.Hα-helixtrans-57.1-43.4177.6-175.9180179-178.80113T280 A286T280-K282 PolarHBondContact O-N 2.88Å; K282-A286 VanDerWaalsContact O-CB 3.31Å; K282-A286 WeakPolarHBondContact O-CB 3.47Å; K282-A286 PolarHBondContact O-N 3.19Å; K282-A286 VanDerWaalsContact O-N 3.1Å
283A96.9Very high95.2Very high17 Ų1749.5 Ų49.514%0.1426%0.259CS..Hα-helixtrans-70-41.6179.800000111.2L256 L259 T280 D281 F287L256-A283 HydrophobicContact CD1-CB 4.42Å; L259-A283 HydrophobicContact CB-CB 4.19Å; L259-A283 HydrophobicContact CD1-CB 4.31Å; T280-A283 PolarHBondContact O-N 2.86Å; T280-A283 WeakPolarHBondContact OG1-CB 3.22Å; T280-A283 PolarHBondContact OG1-N 2.86Å; D281-A283 VanDerWaalsContact C-N 3.34Å; D281-A283 PolarHBondContact O-N 2.93Å; A283-F287 WeakPolarHBondContact O-CB 3.3Å; A283-F287 PolarHBondContact O-N 3.47Å
284V97.8Very high95.2Very high1 Ų149.6 Ų49.61%0.00626%0.26CS..Hα-helixtrans-64.5-48.3177.8177.80000111L259 V279 T280 D281 A286 F287 I288 V297 L299 L310L259-V284 HydrophobicContact CD1-CG2 3.89Å; L259-V284 HydrophobicContact CD2-CG2 4.41Å; V279-V284 HydrophobicContact CG1-CG2 3.52Å; T280-V284 WeakPolarHBondContact O-CG2 3.41Å; T280-V284 PolarHBondContact O-N 3.19Å; D281-V284 PolarHBondContact O-N 3.48Å; V284-A286 PolarHBondContact O-N 3.12Å; V284-F287 WeakPolarHBondContact O-CB 3.4Å; V284-F287 PolarHBondContact O-N 3.37Å; V284-I288 HydrophobicContact CG1-CD1 3.64Å; V284-I288 HydrophobicContact CG1-CG1 4.34Å; V284-I288 VanDerWaalsContact O-CG1 3.29Å; V284-I288 WeakPolarHBondContact O-CG1 3.36Å; V284-I288 PolarHBondContact O-N 2.78Å; V284-V297 HydrophobicContact CG1-CG1 4.41Å; V284-V297 HydrophobicContact CG1-CG2 3.99Å; V284-L299 HydrophobicContact CG1-CD1 4.34Å; V284-L299 HydrophobicContact CG1-CD2 4.36Å; V284-L299 HydrophobicContact CG2-CD2 3.82Å; V284-L310 HydrophobicContact CB-CD1 4.25Å; V284-L310 HydrophobicContact CG1-CD1 4.13Å; V284-L310 HydrophobicContact CG1-CD2 3.81Å
285E97Very high95.3Very high47 Ų4755.5 Ų55.522%0.2229%0.287CS..Hα-helixtrans-57.6-48.6176.7-75.1178.7-15400111.7D281 F287 I288 Q289 S307 F309 L310D281-E285 WeakPolarHBondContact O-CB 3.24Å; D281-E285 VanDerWaalsContact O-CG 3.26Å; D281-E285 WeakPolarHBondContact O-CG 3.21Å; D281-E285 PolarHBondContact O-N 2.7Å; E285-F287 VanDerWaalsContact C-N 3.26Å; E285-F287 PolarHBondContact O-N 3.42Å; E285-I288 PolarHBondContact O-N 2.78Å; E285-Q289 WeakPolarHBondContact O-CB 3.43Å; E285-Q289 VanDerWaalsContact O-CG 3.28Å; E285-Q289 WeakPolarHBondContact O-CG 3.16Å; E285-Q289 PolarHBondContact O-N 2.81Å; E285-S307 WeakPolarHBondContact OE1-CB 3.25Å; E285-S307 PolarHBondContact OE1-OG 3.08Å; E285-F309 HydrophobicContact CB-CD1 4.45Å; E285-F309 HydrophobicContact CG-CB 3.99Å; E285-F309 HydrophobicContact CG-CD1 3.59Å; E285-F309 HydrophobicContact CG-CE1 4.29Å; E285-F309 HydrophobicContact CG-CG 3.9Å; E285-L310 HydrophobicContact CG-CG 4.49Å
286A96.2Very high95.5Very high39 Ų3955.8 Ų55.832%0.32229%0.288SS..Hα-helixtrans-60.8-37.1178.200000112.2K282 V284 Q290K282-A286 VanDerWaalsContact O-CB 3.31Å; K282-A286 WeakPolarHBondContact O-CB 3.47Å; K282-A286 PolarHBondContact O-N 3.19Å; K282-A286 VanDerWaalsContact O-N 3.1Å; V284-A286 PolarHBondContact O-N 3.12Å; A286-Q290 WeakPolarHBondContact O-CG 3.24Å; A286-Q290 PolarHBondContact O-NE2 3.19Å
287F97.1Very high95.7Very high1 Ų154.9 Ų54.90%0.00429%0.285CS..Hα-helixtrans-68.8-41.1176.8-173.2-91.2000112.1L259 I264 L268 L271 A283 V284 E285 R291 M294L259-F287 HydrophobicContact CD2-CB 3.7Å; L259-F287 HydrophobicContact CD2-CD1 4.03Å; L259-F287 HydrophobicContact CD2-CD2 4.06Å; L259-F287 HydrophobicContact CD2-CG 3.67Å; I264-F287 HydrophobicContact CG2-CE2 4.23Å; L268-F287 HydrophobicContact CD2-CE1 4.11Å; L268-F287 HydrophobicContact CD2-CZ 4.19Å; L271-F287 HydrophobicContact CD2-CD1 4.05Å; L271-F287 HydrophobicContact CD2-CE1 3.66Å; L271-F287 HydrophobicContact CD2-CZ 4.17Å; A283-F287 WeakPolarHBondContact O-CB 3.3Å; A283-F287 PolarHBondContact O-N 3.47Å; V284-F287 WeakPolarHBondContact O-CB 3.4Å; V284-F287 PolarHBondContact O-N 3.37Å; E285-F287 VanDerWaalsContact C-N 3.26Å; E285-F287 PolarHBondContact O-N 3.42Å; F287-R291 VanDerWaalsContact CD2-NH1 3.31Å; F287-R291 VanDerWaalsContact CE2-NH2 3.33Å; F287-R291 PolarHBondContact O-NH1 2.72Å; F287-M294 HydrophobicContact CD1-CE 4.19Å; F287-M294 HydrophobicContact CE1-CE 3.86Å
288I96.1Very high96.1Very high10 Ų1050.1 Ų50.15%0.05126%0.264CS..Hα-helixtrans-72.7-39.7180-66.6173.5000111.6V284 E285 Q290 R291 M294 V297 F309 L310 L316V284-I288 HydrophobicContact CG1-CD1 3.64Å; V284-I288 HydrophobicContact CG1-CG1 4.34Å; V284-I288 VanDerWaalsContact O-CG1 3.29Å; V284-I288 WeakPolarHBondContact O-CG1 3.36Å; V284-I288 PolarHBondContact O-N 2.78Å; E285-I288 PolarHBondContact O-N 2.78Å; I288-Q290 PolarHBondContact O-N 3.44Å; I288-Q290 VanDerWaalsContact O-N 3.16Å; I288-R291 CarbonylContact O-C 3.44Å; I288-R291 WeakPolarHBondContact O-CA 3.43Å; I288-R291 PolarHBondContact O-N 3.49Å; I288-R291 VanDerWaalsContact O-O 3.09Å; I288-M294 HydrophobicContact CG1-CG 4.22Å; I288-M294 HydrophobicContact CG2-CB 4.02Å; I288-M294 HydrophobicContact CG2-CG 4.4Å; I288-V297 HydrophobicContact CD1-CB 4.18Å; I288-V297 HydrophobicContact CD1-CG1 3.88Å; I288-F309 HydrophobicContact CB-CE1 4.09Å; I288-F309 HydrophobicContact CB-CZ 4.36Å; I288-F309 HydrophobicContact CD1-CE1 4.15Å; I288-F309 HydrophobicContact CG2-CE1 3.81Å; I288-F309 HydrophobicContact CG2-CZ 3.78Å; I288-L310 HydrophobicContact CD1-CD2 4.08Å; I288-L316 HydrophobicContact CD1-CD1 4.41Å; I288-L316 HydrophobicContact CD1-CD2 3.88Å; I288-L316 HydrophobicContact CG2-CD2 4.26Å
289Q94.8Very high96.5Very high129 Ų12944.2 Ų44.260%0.60324%0.237SC*.Hα-helixtrans-59.5-28.7177.8-76.4176-1.600112.9E285 R291E285-Q289 WeakPolarHBondContact O-CB 3.43Å; E285-Q289 VanDerWaalsContact O-CG 3.28Å; E285-Q289 WeakPolarHBondContact O-CG 3.16Å; E285-Q289 PolarHBondContact O-N 2.81Å; Q289-R291 VanDerWaalsContact C-N 3.25Å; Q289-R291 PolarHBondContact O-N 2.86Å
290Q94.2Very high96.6Very high85 Ų8543.8 Ų43.840%0.39723%0.234SC..THydrogen-bonded Turntrans-77.6-11.5174.5-66.7167.226.200113K262 A286 I288K262-Q290 PolarHBondContact O-OE1 2.87Å; A286-Q290 WeakPolarHBondContact O-CG 3.24Å; A286-Q290 PolarHBondContact O-NE2 3.19Å; I288-Q290 PolarHBondContact O-N 3.44Å; I288-Q290 VanDerWaalsContact O-N 3.16Å
291R94.8Very high96.5Very high6 Ų640.7 Ų40.72%0.02322%0.215CC..  trans-132.674.7-176.5-65.2170.5-168.473.20.8110.2Q261 I264 L265 F287 I288 Q289 S293 M294Q261-R291 PolarHBondContact O-NH2 3.16Å; I264-R291 PolarHBondContact O-NH2 3.14Å; L265-R291 PolarHBondContact O-NE 3.33Å; F287-R291 VanDerWaalsContact CD2-NH1 3.31Å; F287-R291 VanDerWaalsContact CE2-NH2 3.33Å; F287-R291 PolarHBondContact O-NH1 2.72Å; I288-R291 CarbonylContact O-C 3.44Å; I288-R291 WeakPolarHBondContact O-CA 3.43Å; I288-R291 PolarHBondContact O-N 3.49Å; I288-R291 VanDerWaalsContact O-O 3.09Å; Q289-R291 VanDerWaalsContact C-N 3.25Å; Q289-R291 PolarHBondContact O-N 2.86Å; R291-S293 PolarHBondContact O-N 3.4Å; R291-M294 HydrophobicContact CB-CE 3.97Å; R291-M294 VanDerWaalsContact O-CB 3.32Å; R291-M294 WeakPolarHBondContact O-CB 3.42Å; R291-M294 PolarHBondContact O-N 3.32Å
292P91Very high96.4Very high112 Ų11239.3 Ų39.373%0.72721%0.208SC*.THydrogen-bonded Turntrans-61.2-16.4-175.3-23.834.5000115.1M294P292-M294 VanDerWaalsContact C-N 3.26Å
293S95.1Very high96.1Very high63 Ų6337.3 Ų37.344%0.44121%0.206SC..THydrogen-bonded Turntrans-81.92.1174.456.70000113.9R291 Q295R291-S293 PolarHBondContact O-N 3.4Å; S293-Q295 PolarHBondContact O-N 2.73Å
294M97.4Very high96Very high3 Ų336.5 Ų36.52%0.01520%0.199CC..  trans-60.7129.1178.1-162.970.966.400110.7L268 F287 I288 R291 P292 L316L268-M294 HydrophobicContact CB-CE 4.34Å; L268-M294 HydrophobicContact CD2-CE 4.4Å; F287-M294 HydrophobicContact CD1-CE 4.19Å; F287-M294 HydrophobicContact CE1-CE 3.86Å; I288-M294 HydrophobicContact CG1-CG 4.22Å; I288-M294 HydrophobicContact CG2-CB 4.02Å; I288-M294 HydrophobicContact CG2-CG 4.4Å; R291-M294 HydrophobicContact CB-CE 3.97Å; R291-M294 VanDerWaalsContact O-CB 3.32Å; R291-M294 WeakPolarHBondContact O-CB 3.42Å; R291-M294 PolarHBondContact O-N 3.32Å; P292-M294 VanDerWaalsContact C-N 3.26Å; M294-L316 HydrophobicContact CB-CD1 4.26Å; M294-L316 HydrophobicContact CG-CD1 3.85Å
295Q98Very high96Very high124 Ų12436.5 Ų36.558%0.57920%0.199SC*.  trans-115.1-21.7-179.6-64.5-179.8-4.700112.2V269 S293 K317V269-Q295 PolarHBondContact O-N 3.03Å; S293-Q295 PolarHBondContact O-N 2.73Å; Q295-K317 PolarHBondContact O-N 2.87Å
296F98.7Very high96Very high6 Ų640.7 Ų40.73%0.02621%0.214CC..EExtended strand (participates in β ladder)trans-145.4137.4-178.9172.8-104.1000113.1V269 S270 L271 D272 K317 S319 E329 R333V269-F296 PolarHBondContact O-N 3.33Å; V269-F296 VanDerWaalsContact O-N 3.1Å; S270-F296 WeakPolarHBondContact CA-O 3.16Å; S270-F296 VanDerWaalsContact OG-CD1 3.28Å; S270-F296 WeakPolarHBondContact OG-CD1 3.31Å; L271-F296 PolarHBondContact N-O 3.16Å; D272-F296 HydrophobicContact CB-CE1 4.14Å; F296-K317 CarbonylContact C-O 3.5Å; F296-K317 VanDerWaalsContact CA-O 3.25Å; F296-K317 WeakPolarHBondContact CA-O 3.2Å; F296-K317 HydrophobicContact CD2-CB 4.21Å; F296-S319 WeakPolarHBondContact CE2-OG 3.4Å; F296-S319 VanDerWaalsContact CZ-OG 3.29Å; F296-S319 WeakPolarHBondContact CZ-OG 3.24Å; F296-E329 HydrophobicContact CE2-CG 4.39Å; F296-R333 VanDerWaalsContact CE2-NE 3.3Å; F296-R333 VanDerWaalsContact CZ-CD 3.45Å
297V98.6Very high96.1Very high2 Ų240.1 Ų40.11%0.01221%0.208CC..EExtended strand (participates in β ladder)trans-132.5130.9162.964.60000111.9L271 V284 I288 L299 L310 L316 K317 V318 S319L271-V297 CarbonylContact O-C 3.48Å; L271-V297 WeakPolarHBondContact O-CA 3.48Å; V284-V297 HydrophobicContact CG1-CG1 4.41Å; V284-V297 HydrophobicContact CG1-CG2 3.99Å; I288-V297 HydrophobicContact CD1-CB 4.18Å; I288-V297 HydrophobicContact CD1-CG1 3.88Å; V297-L299 HydrophobicContact CG1-CD1 4.24Å; V297-L299 HydrophobicContact CG1-CG 4.39Å; V297-L299 HydrophobicContact CG2-CD2 3.84Å; V297-L299 HydrophobicContact CG2-CG 4.02Å; V297-L310 HydrophobicContact CG1-CD2 4.23Å; V297-L316 HydrophobicContact CG1-CD1 4.5Å; V297-K317 PolarHBondContact N-O 3.43Å; V297-V318 HydrophobicContact CG1-CB 4.42Å; V297-V318 HydrophobicContact CG1-CG1 4.24Å; V297-V318 HydrophobicContact CG1-CG2 3.76Å; V297-V318 VanDerWaalsContact O-CA 3.29Å; V297-V318 WeakPolarHBondContact O-CA 3.42Å; V297-S319 PolarHBondContact O-N 3.36Å; V297-S319 VanDerWaalsContact O-N 3.14Å
298G98.5Very high96Very high0 Ų048.6 Ų48.60%025%0.247CC..EExtended strand (participates in β ladder)trans-99.6120.4176.100000112.9L271 V273 S274 S319L271-G298 PolarHBondContact O-N 2.83Å; V273-G298 CarbonylContact C-O 3.2Å; V273-G298 VanDerWaalsContact CG2-O 3.26Å; V273-G298 WeakPolarHBondContact CG2-O 3.3Å; V273-G298 PolarHBondContact N-O 2.84Å; S274-G298 PolarHBondContact N-O 2.99Å; G298-S319 WeakPolarHBondContact CA-OG 3.31Å
299L98Very high96Very high0 Ų052.3 Ų52.30%026%0.263CS..  trans-132.79.3-171.1-58.2177.8000113.1V273 S274 V279 V284 V297 A301 T302 L310 V318 S319V273-L299 HydrophobicContact CG2-CD2 3.87Å; S274-L299 PolarHBondContact OG-N 2.88Å; V279-L299 HydrophobicContact CG1-CD2 3.99Å; V284-L299 HydrophobicContact CG1-CD1 4.34Å; V284-L299 HydrophobicContact CG1-CD2 4.36Å; V284-L299 HydrophobicContact CG2-CD2 3.82Å; V297-L299 HydrophobicContact CG1-CD1 4.24Å; V297-L299 HydrophobicContact CG1-CG 4.39Å; V297-L299 HydrophobicContact CG2-CD2 3.84Å; V297-L299 HydrophobicContact CG2-CG 4.02Å; L299-A301 PolarHBondContact O-N 3.23Å; L299-T302 WeakPolarHBondContact O-CB 3.12Å; L299-T302 WeakPolarHBondContact O-CG2 3.34Å; L299-T302 PolarHBondContact O-N 3.36Å; L299-T302 PolarHBondContact O-OG1 3.19Å; L299-L310 HydrophobicContact CD1-CD1 3.96Å; L299-L310 HydrophobicContact CD1-CD2 4.36Å; L299-V318 HydrophobicContact CD1-CG1 3.91Å; L299-V318 HydrophobicContact CG-CG1 4.37Å; L299-S319 CarbonylContact C-O 3.12Å; L299-S319 WeakPolarHBondContact CA-O 3.48Å; L299-S319 PolarHBondContact N-O 3.29Å
300L97.2Very high96.2Very high0 Ų046.1 Ų46.10%023%0.234CC..THydrogen-bonded Turntrans-60.2136.9179.7-178.171.4000110.2S274 G275 T302 S319 E321 A330 Y334 F340 E343 A344S274-L300 CarbonylContact C-O 3.59Å; S274-L300 VanDerWaalsContact CA-O 3.22Å; S274-L300 WeakPolarHBondContact CA-O 3.43Å; S274-L300 VanDerWaalsContact CB-O 3.3Å; S274-L300 WeakPolarHBondContact CB-O 3.47Å; S274-L300 PolarHBondContact OG-N 3.11Å; G275-L300 PolarHBondContact N-O 3.27Å; L300-T302 VanDerWaalsContact C-N 3.28Å; L300-T302 PolarHBondContact O-N 3.11Å; L300-S319 PolarHBondContact N-O 3.49Å; L300-E321 HydrophobicContact CD1-CB 4.19Å; L300-A330 HydrophobicContact CD1-CB 4.45Å; L300-A330 HydrophobicContact CD2-CB 4.21Å; L300-Y334 HydrophobicContact CB-CE2 4.16Å; L300-Y334 HydrophobicContact CD2-CD2 3.96Å; L300-Y334 HydrophobicContact CD2-CE2 4.09Å; L300-F340 HydrophobicContact CD2-CB 3.67Å; L300-F340 HydrophobicContact CD2-CD1 3.95Å; L300-F340 HydrophobicContact CD2-CG 3.96Å; L300-E343 HydrophobicContact CD1-CG 4.37Å; L300-E343 HydrophobicContact CD2-CB 4.29Å; L300-E343 HydrophobicContact CG-CB 4.5Å; L300-E343 HydrophobicContact CG-CG 4.43Å; L300-A344 HydrophobicContact CD1-CB 4.41Å; L300-A344 HydrophobicContact CD2-CB 4.31Å
301A94.8Very high96.3Very high3 Ų344 Ų443%0.02523%0.227CC..THydrogen-bonded Turntrans61.631.6178.100000114.1K248 G275 L299 E321 E343K248-A301 HydrophobicContact CD-CB 4.31Å; K248-A301 VanDerWaalsContact CE-CB 3.45Å; K248-A301 WeakPolarHBondContact CE-O 3.11Å; G275-A301 WeakPolarHBondContact CA-O 3.25Å; L299-A301 PolarHBondContact O-N 3.23Å; A301-E321 WeakPolarHBondContact CA-OE1 3.43Å; A301-E321 VanDerWaalsContact CA-OE2 3.24Å; A301-E321 WeakPolarHBondContact CA-OE2 3.45Å; A301-E321 VanDerWaalsContact N-CD 3.3Å; A301-E321 PolarHBondContact N-OE1 2.96Å; A301-E321 PolarHBondContact N-OE2 3.16Å; A301-E343 HydrophobicContact CB-CG 3.96Å
302T94.1Very high96.4Very high4 Ų443.8 Ų43.83%0.02523%0.227CC..SBendtrans-113.4-6179.168.40000114.3V273 V279 L299 L300 A304 E321V273-T302 WeakPolarHBondContact O-CG2 3.26Å; V279-T302 HydrophobicContact CG2-CG2 4.36Å; L299-T302 WeakPolarHBondContact O-CB 3.12Å; L299-T302 WeakPolarHBondContact O-CG2 3.34Å; L299-T302 PolarHBondContact O-N 3.36Å; L299-T302 PolarHBondContact O-OG1 3.19Å; L300-T302 VanDerWaalsContact C-N 3.28Å; L300-T302 PolarHBondContact O-N 3.11Å; T302-A304 PolarHBondContact O-N 2.84Å; T302-A304 WeakPolarHBondContact OG1-CB 3.45Å; T302-A304 PolarHBondContact OG1-N 3.37Å; T302-E321 PolarHBondContact N-OE1 2.88Å
303D91.4Very high96.6Very high131 Ų13145.2 Ų45.270%0.70122%0.224SC*.SBendtrans62.39.9-169.1-51.1-44.5000114.3E321D303-E321 PolarHBondContact N-OE1 2.85Å
304A95.6Very high96.5Very high1 Ų145 Ų451%0.00823%0.231CC..  trans-108.2175.7173.900000111.5V279 D281 T302V279-A304 HydrophobicContact CB-CB 4.43Å; V279-A304 HydrophobicContact CG1-CB 3.95Å; D281-A304 VanDerWaalsContact OD1-CA 3.28Å; D281-A304 WeakPolarHBondContact OD1-CA 3.49Å; D281-A304 WeakPolarHBondContact OD1-CB 3.39Å; T302-A304 PolarHBondContact O-N 2.84Å; T302-A304 WeakPolarHBondContact OG1-CB 3.45Å; T302-A304 PolarHBondContact OG1-N 3.37Å
305G97Very high96.2Very high1 Ų151.8 Ų51.81%0.0126%0.263CS..  trans95.415.4-178.700000114.4D281 A322 Q326D281-G305 PolarHBondContact OD1-N 3.29Å; G305-A322 VanDerWaalsContact O-CB 3.28Å; G305-A322 WeakPolarHBondContact O-CB 3.38Å; G305-Q326 PolarHBondContact O-NE2 2.94Å
306Y97.3Very high96.2Very high135 Ų13546.2 Ų46.253%0.52924%0.237SC..  trans-93.6-11.3-175.2-68.2-85.5000113.8D281 A322D281-Y306 PolarHBondContact OD2-N 3.13Å; Y306-A322 HydrophobicContact CD1-CB 3.42Å; Y306-A322 VanDerWaalsContact CD1-CB 3.42Å; Y306-A322 HydrophobicContact CE1-CB 3.58Å; Y306-A322 HydrophobicContact CG-CB 3.98Å
307S97.3Very high96.2Very high26 Ų2649.7 Ų49.718%0.18225%0.252CS..SBendtrans-71.5155.4176.676.80000112.8D281 E285 F309 L310D281-S307 WeakPolarHBondContact OD2-CB 3.15Å; D281-S307 PolarHBondContact OD2-N 3.49Å; E285-S307 WeakPolarHBondContact OE1-CB 3.25Å; E285-S307 PolarHBondContact OE1-OG 3.08Å; S307-F309 PolarHBondContact O-N 3.4Å; S307-L310 PolarHBondContact O-N 3.34Å
308E96.3Very high96.2Very high180 Ų18049.7 Ų49.784%0.84125%0.252SS*.G310 helixtrans-60-29.8177.6-170.4178.2-17700112.5L310 T311E308-L310 VanDerWaalsContact C-N 3.28Å; E308-L310 PolarHBondContact O-N 3.02Å; E308-T311 WeakPolarHBondContact O-CG2 2.72Å
309F96.3Very high96.2Very high87 Ų8749.7 Ų49.738%0.38225%0.252SS..G310 helixtrans-67.1-29.5176.5-174.7-90.3000112.7E285 I288 S307 L316E285-F309 HydrophobicContact CB-CD1 4.45Å; E285-F309 HydrophobicContact CG-CB 3.99Å; E285-F309 HydrophobicContact CG-CD1 3.59Å; E285-F309 HydrophobicContact CG-CE1 4.29Å; E285-F309 HydrophobicContact CG-CG 3.9Å; I288-F309 HydrophobicContact CB-CE1 4.09Å; I288-F309 HydrophobicContact CB-CZ 4.36Å; I288-F309 HydrophobicContact CD1-CE1 4.15Å; I288-F309 HydrophobicContact CG2-CE1 3.81Å; I288-F309 HydrophobicContact CG2-CZ 3.78Å; S307-F309 PolarHBondContact O-N 3.4Å; F309-L316 HydrophobicContact CD1-CD2 4.46Å; F309-L316 HydrophobicContact CE1-CD2 3.87Å; F309-L316 HydrophobicContact CZ-CD2 4.44Å
310L97.6Very high96.2Very high0 Ų049.7 Ų49.70%025%0.252CS..G310 helixtrans-102.918.4-171.7-63.1173.2000113.1D281 V284 E285 I288 V297 L299 S307 E308 G312 V318 Q326D281-L310 HydrophobicContact CB-CD1 4.03Å; V284-L310 HydrophobicContact CB-CD1 4.25Å; V284-L310 HydrophobicContact CG1-CD1 4.13Å; V284-L310 HydrophobicContact CG1-CD2 3.81Å; E285-L310 HydrophobicContact CG-CG 4.49Å; I288-L310 HydrophobicContact CD1-CD2 4.08Å; V297-L310 HydrophobicContact CG1-CD2 4.23Å; L299-L310 HydrophobicContact CD1-CD1 3.96Å; L299-L310 HydrophobicContact CD1-CD2 4.36Å; S307-L310 PolarHBondContact O-N 3.34Å; E308-L310 VanDerWaalsContact C-N 3.28Å; E308-L310 PolarHBondContact O-N 3.02Å; L310-G312 PolarHBondContact O-N 3.24Å; L310-G312 VanDerWaalsContact O-N 3.07Å; L310-V318 WeakPolarHBondContact O-CG2 3.47Å; L310-Q326 PolarHBondContact O-NE2 3.07Å
311T97.3Very high96.1Very high41 Ų4150.2 Ų50.225%0.25225%0.254SS..SBendtrans-57.1-27-178.753.10000114.1E308 E313 N323E308-T311 WeakPolarHBondContact O-CG2 2.72Å; T311-E313 VanDerWaalsContact C-N 3.31Å; T311-E313 PolarHBondContact OG1-N 2.85Å; T311-N323 PolarHBondContact O-ND2 3.04Å; T311-N323 PolarHBondContact O-OD1 3.43Å
312G97.1Very high96.2Very high1 Ų151.7 Ų51.71%0.0127%0.267CS..  trans86.81-17400000113.9L310 L316L310-G312 PolarHBondContact O-N 3.24Å; L310-G312 VanDerWaalsContact O-N 3.07Å; G312-L316 CarbonylContact C-O 3.56Å; G312-L316 WeakPolarHBondContact CA-O 3.18Å
313E94.1Very high96.3Very high141 Ų14153.5 Ų53.566%0.65928%0.276SS*.  trans-79.9150.1175.5-61.8-169.9172.500111.6T311T311-E313 VanDerWaalsContact C-N 3.31Å; T311-E313 PolarHBondContact OG1-N 2.85Å
314G93Very high96.5Very high58 Ų5849.4 Ų49.460%0.59825%0.253SS*.THydrogen-bonded Turntrans78.1-139-178.500000113.9K317G314-K317 PolarHBondContact O-NZ 3.34Å
315H92.8Very high96.6Very high146 Ų14652 Ų5268%0.67627%0.268SS*.THydrogen-bonded Turntrans-79.6-35-170.271.5-75.9000113.5K317H315-K317 PolarHBondContact O-N 3.31Å
316L97.5Very high96.6Very high8 Ų851.9 Ų51.94%0.04227%0.268CS..SBendtrans-86.8107.3177.9178.367.3000108.9I288 M294 V297 F309 G312 V318I288-L316 HydrophobicContact CD1-CD1 4.41Å; I288-L316 HydrophobicContact CD1-CD2 3.88Å; I288-L316 HydrophobicContact CG2-CD2 4.26Å; M294-L316 HydrophobicContact CB-CD1 4.26Å; M294-L316 HydrophobicContact CG-CD1 3.85Å; V297-L316 HydrophobicContact CG1-CD1 4.5Å; F309-L316 HydrophobicContact CD1-CD2 4.46Å; F309-L316 HydrophobicContact CE1-CD2 3.87Å; F309-L316 HydrophobicContact CZ-CD2 4.44Å; G312-L316 CarbonylContact C-O 3.56Å; G312-L316 WeakPolarHBondContact CA-O 3.18Å; L316-V318 HydrophobicContact CD2-CG2 4.46Å; L316-V318 HydrophobicContact CG-CG2 4.27Å
317K98.5Very high96.7Very high79 Ų7945.6 Ų45.634%0.34324%0.243SC..EExtended strand (participates in β ladder)trans-79.1139.2171.8-59.7-49.3-174.9-1640110Q295 F296 V297 G314 H315 E329Q295-K317 PolarHBondContact O-N 2.87Å; F296-K317 CarbonylContact C-O 3.5Å; F296-K317 VanDerWaalsContact CA-O 3.25Å; F296-K317 WeakPolarHBondContact CA-O 3.2Å; F296-K317 HydrophobicContact CD2-CB 4.21Å; V297-K317 PolarHBondContact N-O 3.43Å; G314-K317 PolarHBondContact O-NZ 3.34Å; H315-K317 PolarHBondContact O-N 3.31Å; K317-E329 HydrophobicContact CB-CG 4.25Å
318V98.7Very high96.7Very high1 Ų145.4 Ų45.41%0.00624%0.243CC..EExtended strand (participates in β ladder)trans-128.3126.5178.4-178.50000107.4V297 L299 L310 L316 Q326 E329V297-V318 HydrophobicContact CG1-CB 4.42Å; V297-V318 HydrophobicContact CG1-CG1 4.24Å; V297-V318 HydrophobicContact CG1-CG2 3.76Å; V297-V318 VanDerWaalsContact O-CA 3.29Å; V297-V318 WeakPolarHBondContact O-CA 3.42Å; L299-V318 HydrophobicContact CD1-CG1 3.91Å; L299-V318 HydrophobicContact CG-CG1 4.37Å; L310-V318 WeakPolarHBondContact O-CG2 3.47Å; L316-V318 HydrophobicContact CD2-CG2 4.46Å; L316-V318 HydrophobicContact CG-CG2 4.27Å; V318-Q326 HydrophobicContact CB-CG 4.13Å; V318-Q326 HydrophobicContact CG1-CG 4Å; V318-Q326 VanDerWaalsContact O-CA 3.3Å; V318-Q326 WeakPolarHBondContact O-CA 3.48Å; V318-E329 WeakPolarHBondContact O-CB 3.44Å
319S98.6Very high96.8Very high0 Ų037.9 Ų37.90%021%0.208CC..EExtended strand (participates in β ladder)trans-96134.1163.450.90000108.7F296 V297 G298 L299 L300 Q326 Y334F296-S319 WeakPolarHBondContact CE2-OG 3.4Å; F296-S319 VanDerWaalsContact CZ-OG 3.29Å; F296-S319 WeakPolarHBondContact CZ-OG 3.24Å; V297-S319 PolarHBondContact O-N 3.36Å; V297-S319 VanDerWaalsContact O-N 3.14Å; G298-S319 WeakPolarHBondContact CA-OG 3.31Å; L299-S319 CarbonylContact C-O 3.12Å; L299-S319 WeakPolarHBondContact CA-O 3.48Å; L299-S319 PolarHBondContact N-O 3.29Å; L300-S319 PolarHBondContact N-O 3.49Å; S319-Q326 WeakPolarHBondContact CA-O 3.42Å; S319-Y334 PolarHBondContact OG-OH 2.91Å
320G97.9Very high96.9Very high0 Ų033.8 Ų33.80%019%0.19CC..SBendtrans-177.5-167.1-16800000112.1Q326 I327G320-Q326 PolarHBondContact N-O 3.34Å; G320-Q326 CarbonylContact O-C 3.59Å; G320-I327 WeakPolarHBondContact O-CG1 3.22Å; G320-I327 PolarHBondContact O-N 3.48Å
321E95.8Very high97Very high12 Ų1234.1 Ų34.16%0.05619%0.192CC..SBendtrans-1262.4-174.757.4-143.2174.400114.5L300 A301 T302 D303 H347L300-E321 HydrophobicContact CD1-CB 4.19Å; A301-E321 WeakPolarHBondContact CA-OE1 3.43Å; A301-E321 VanDerWaalsContact CA-OE2 3.24Å; A301-E321 WeakPolarHBondContact CA-OE2 3.45Å; A301-E321 VanDerWaalsContact N-CD 3.3Å; A301-E321 PolarHBondContact N-OE1 2.96Å; A301-E321 PolarHBondContact N-OE2 3.16Å; T302-E321 PolarHBondContact N-OE1 2.88Å; D303-E321 PolarHBondContact N-OE1 2.85Å; E321-H347 HydrophobicContact CB-CB 4.36Å; E321-H347 WeakPolarHBondContact CB-CD2 3.38Å; E321-H347 WeakPolarHBondContact CB-NE2 3.36Å; E321-H347 IonicContact OE2-CD2 4Å; E321-H347 IonicContact OE2-CE1 2.92Å; E321-H347 IonicContact OE2-NE2 3.76Å; E321-H347 PolarHBondContact OE2-NE2 3.1Å
322A96.2Very high97Very high34 Ų3438.8 Ų38.828%0.28121%0.209SC..SBendtrans-78.2-30.4-174.400000113.7G305 Y306 Q326G305-A322 VanDerWaalsContact O-CB 3.28Å; G305-A322 WeakPolarHBondContact O-CB 3.38Å; Y306-A322 HydrophobicContact CD1-CB 3.42Å; Y306-A322 VanDerWaalsContact CD1-CB 3.42Å; Y306-A322 HydrophobicContact CE1-CB 3.58Å; Y306-A322 HydrophobicContact CG-CB 3.98Å; A322-Q326 VanDerWaalsContact CB-OE1 3.25Å
323N95.9Very high97Very high41 Ų4144 Ų4422%0.21923%0.228CC..SBendtrans-153.7173.3-17667.156000112.4T311 T325 Q326 I327T311-N323 PolarHBondContact O-ND2 3.04Å; T311-N323 PolarHBondContact O-OD1 3.43Å; N323-T325 PolarHBondContact O-N 3.3Å; N323-T325 WeakPolarHBondContact OD1-CA 3.44Å; N323-T325 WeakPolarHBondContact OD1-CB 3.29Å; N323-T325 PolarHBondContact OD1-N 3.23Å; N323-Q326 PolarHBondContact O-N 2.85Å; N323-Q326 PolarHBondContact OD1-N 2.91Å; N323-I327 WeakPolarHBondContact O-CD1 3.26Å; N323-I327 VanDerWaalsContact O-CG1 3.31Å; N323-I327 WeakPolarHBondContact O-CG1 3.4Å; N323-I327 PolarHBondContact O-N 3.49Å; N323-I327 VanDerWaalsContact O-N 3.09Å
324E95.7Very high97.2Very high46 Ų4637.5 Ų37.522%0.21520%0.197CC..Hα-helixtrans-61.5-41-178-174.3179.710400113.5Q326 I327 A328 L351 K359 I362E324-Q326 VanDerWaalsContact C-N 3.31Å; E324-Q326 PolarHBondContact O-N 2.96Å; E324-I327 PolarHBondContact O-N 3.23Å; E324-A328 VanDerWaalsContact O-CB 3.28Å; E324-A328 WeakPolarHBondContact O-CB 3.38Å; E324-A328 PolarHBondContact O-N 2.94Å; E324-L351 HydrophobicContact CB-CD1 4.09Å; E324-K359 IonicContact OE1-NZ 2.69Å; E324-K359 PolarHBondContact OE1-NZ 3.14Å; E324-K359 IonicContact OE2-NZ 2.77Å; E324-K359 PolarHBondContact OE2-NZ 3.46Å; E324-I362 HydrophobicContact CG-CD1 3.98Å
325T97.3Very high97.3Very high54 Ų5436 Ų3633%0.33118%0.178SC..Hα-helixtrans-59.5-44.7179.2-58.30000110.7N323 A328 E329N323-T325 PolarHBondContact O-N 3.3Å; N323-T325 WeakPolarHBondContact OD1-CA 3.44Å; N323-T325 WeakPolarHBondContact OD1-CB 3.29Å; N323-T325 PolarHBondContact OD1-N 3.23Å; T325-A328 PolarHBondContact O-N 3.11Å; T325-E329 PolarHBondContact O-N 2.61Å
326Q98.4Very high97.4Very high0 Ų033.3 Ų33.30%017%0.166CC..Hα-helixtrans-65.6-43.7177.9-73-178.99.900113.2G305 L310 V318 S319 G320 A322 N323 E324 A328 E329 A330G305-Q326 PolarHBondContact O-NE2 2.94Å; L310-Q326 PolarHBondContact O-NE2 3.07Å; V318-Q326 HydrophobicContact CB-CG 4.13Å; V318-Q326 HydrophobicContact CG1-CG 4Å; V318-Q326 VanDerWaalsContact O-CA 3.3Å; V318-Q326 WeakPolarHBondContact O-CA 3.48Å; S319-Q326 WeakPolarHBondContact CA-O 3.42Å; G320-Q326 PolarHBondContact N-O 3.34Å; G320-Q326 CarbonylContact O-C 3.59Å; A322-Q326 VanDerWaalsContact CB-OE1 3.25Å; N323-Q326 PolarHBondContact O-N 2.85Å; N323-Q326 PolarHBondContact OD1-N 2.91Å; E324-Q326 VanDerWaalsContact C-N 3.31Å; E324-Q326 PolarHBondContact O-N 2.96Å; Q326-A328 VanDerWaalsContact C-N 3.35Å; Q326-E329 PolarHBondContact O-N 3.24Å; Q326-A330 WeakPolarHBondContact O-CB 3.4Å; Q326-A330 PolarHBondContact O-N 3.25Å
327I98.3Very high97.3Very high2 Ų235.3 Ų35.31%0.0117%0.173CC..Hα-helixtrans-66.8-40.1179.6-69.4163.9000110.4G320 N323 E324 A330 L331 A344 H347 L348 L351G320-I327 WeakPolarHBondContact O-CG1 3.22Å; G320-I327 PolarHBondContact O-N 3.48Å; N323-I327 WeakPolarHBondContact O-CD1 3.26Å; N323-I327 VanDerWaalsContact O-CG1 3.31Å; N323-I327 WeakPolarHBondContact O-CG1 3.4Å; N323-I327 PolarHBondContact O-N 3.49Å; N323-I327 VanDerWaalsContact O-N 3.09Å; E324-I327 PolarHBondContact O-N 3.23Å; I327-A330 WeakPolarHBondContact O-CB 3.27Å; I327-A330 PolarHBondContact O-N 3.36Å; I327-L331 HydrophobicContact CG2-CD1 4.26Å; I327-L331 WeakPolarHBondContact O-CG 3.18Å; I327-L331 PolarHBondContact O-N 2.94Å; I327-A344 HydrophobicContact CG2-CB 4.38Å; I327-A344 WeakPolarHBondContact CG2-O 3.39Å; I327-H347 HydrophobicContact CD1-CB 3.75Å; I327-H347 HydrophobicContact CG1-CB 4.31Å; I327-L348 HydrophobicContact CG2-CB 3.83Å; I327-L348 HydrophobicContact CG2-CD1 4.13Å; I327-L348 HydrophobicContact CG2-CG 4.43Å; I327-L351 HydrophobicContact CD1-CD1 3.59Å; I327-L351 HydrophobicContact CD1-CG 4.44Å
328A98.1Very high97.1Very high22 Ų2232.8 Ų32.818%0.18217%0.166CC..Hα-helixtrans-63.3-44176.200000111.7E324 T325 Q326 A330 L331 K332 I362 L365E324-A328 VanDerWaalsContact O-CB 3.28Å; E324-A328 WeakPolarHBondContact O-CB 3.38Å; E324-A328 PolarHBondContact O-N 2.94Å; T325-A328 PolarHBondContact O-N 3.11Å; Q326-A328 VanDerWaalsContact C-N 3.35Å; A328-A330 VanDerWaalsContact C-N 3.32Å; A328-A330 PolarHBondContact O-N 2.9Å; A328-L331 PolarHBondContact O-N 3.28Å; A328-K332 WeakPolarHBondContact O-CB 3.36Å; A328-K332 PolarHBondContact O-N 2.91Å; A328-I362 HydrophobicContact CB-CD1 4.09Å; A328-L365 HydrophobicContact CB-CD1 3.76Å
329E98.6Very high97Very high23 Ų2334.4 Ų34.411%0.10717%0.174CC..Hα-helixtrans-63.9-38.4175.3-171.265.9-170.900111.5F296 K317 V318 T325 Q326 K332 R333F296-E329 HydrophobicContact CE2-CG 4.39Å; K317-E329 HydrophobicContact CB-CG 4.25Å; V318-E329 WeakPolarHBondContact O-CB 3.44Å; T325-E329 PolarHBondContact O-N 2.61Å; Q326-E329 PolarHBondContact O-N 3.24Å; E329-K332 PolarHBondContact O-N 3.27Å; E329-R333 PolarHBondContact O-N 2.99Å; E329-R333 IonicContact OE1-CZ 3.11Å; E329-R333 IonicContact OE1-NE 3.98Å; E329-R333 PolarHBondContact OE1-NE 3Å; E329-R333 IonicContact OE1-NH2 3.93Å; E329-R333 PolarHBondContact OE1-NH2 2.85Å; E329-R333 VanDerWaalsContact OE1-NH2 3.15Å
330A98.6Very high96.9Very high1 Ų134.4 Ų34.41%0.00817%0.174CC..Hα-helixtrans-60.9-50.2174.200000112.1L300 Q326 I327 A328 K332 R333 Y334 A344L300-A330 HydrophobicContact CD1-CB 4.45Å; L300-A330 HydrophobicContact CD2-CB 4.21Å; Q326-A330 WeakPolarHBondContact O-CB 3.4Å; Q326-A330 PolarHBondContact O-N 3.25Å; I327-A330 WeakPolarHBondContact O-CB 3.27Å; I327-A330 PolarHBondContact O-N 3.36Å; A328-A330 VanDerWaalsContact C-N 3.32Å; A328-A330 PolarHBondContact O-N 2.9Å; A330-K332 VanDerWaalsContact C-N 3.26Å; A330-K332 PolarHBondContact O-N 3.11Å; A330-R333 PolarHBondContact O-N 3.08Å; A330-Y334 HydrophobicContact CB-CD2 3.88Å; A330-Y334 HydrophobicContact CB-CE2 3.96Å; A330-Y334 VanDerWaalsContact O-CB 3.24Å; A330-Y334 WeakPolarHBondContact O-CB 3.38Å; A330-Y334 WeakPolarHBondContact O-CD2 3.45Å; A330-Y334 PolarHBondContact O-N 2.77Å; A330-A344 HydrophobicContact CB-CB 4.08Å
331L98.6Very high96.9Very high6 Ų634.5 Ų34.53%0.03117%0.174CC..Hα-helixtrans-62.4-34.5178-70.2171000112.5I327 A328 S335 V341 A344 L345 L348 L365I327-L331 HydrophobicContact CG2-CD1 4.26Å; I327-L331 WeakPolarHBondContact O-CG 3.18Å; I327-L331 PolarHBondContact O-N 2.94Å; A328-L331 PolarHBondContact O-N 3.28Å; L331-S335 PolarHBondContact O-N 3.12Å; L331-V341 HydrophobicContact CD2-CG1 4.31Å; L331-A344 HydrophobicContact CD2-CB 3.72Å; L331-A344 HydrophobicContact CG-CB 3.89Å; L331-L345 HydrophobicContact CD1-CD2 4.3Å; L331-L345 HydrophobicContact CD2-CD2 4Å; L331-L345 HydrophobicContact CD2-CG 3.93Å; L331-L348 HydrophobicContact CD1-CD2 3.91Å; L331-L365 HydrophobicContact CB-CB 3.97Å; L331-L365 HydrophobicContact CB-CD1 4.32Å; L331-L365 HydrophobicContact CB-CD2 4.36Å; L331-L365 HydrophobicContact CB-CG 4.46Å; L331-L365 HydrophobicContact CD1-CB 4Å
332K98Very high97Very high140 Ų14037.8 Ų37.861%0.60919%0.186SC*.Hα-helixtrans-68-45.7177.5-177.1-178.8177.8-176.90112.2A328 E329 A330 L365A328-K332 WeakPolarHBondContact O-CB 3.36Å; A328-K332 PolarHBondContact O-N 2.91Å; E329-K332 PolarHBondContact O-N 3.27Å; A330-K332 VanDerWaalsContact C-N 3.26Å; A330-K332 PolarHBondContact O-N 3.11Å; K332-L365 HydrophobicContact CB-CD2 4.09Å
333R97.4Very high97Very high110 Ų11037.1 Ų37.142%0.41518%0.177SC..Hα-helixtrans-81.8-35.1-176.1-71.2-172.6177.6-111-3.4113.5F296 E329 A330F296-R333 VanDerWaalsContact CE2-NE 3.3Å; F296-R333 VanDerWaalsContact CZ-CD 3.45Å; E329-R333 PolarHBondContact O-N 2.99Å; E329-R333 IonicContact OE1-CZ 3.11Å; E329-R333 IonicContact OE1-NE 3.98Å; E329-R333 PolarHBondContact OE1-NE 3Å; E329-R333 IonicContact OE1-NH2 3.93Å; E329-R333 PolarHBondContact OE1-NH2 2.85Å; E329-R333 VanDerWaalsContact OE1-NH2 3.15Å; A330-R333 PolarHBondContact O-N 3.08Å
334Y97.1Very high97.2Very high4 Ų435.1 Ų35.12%0.01617%0.167CC..  trans-10019.1-172.3-51.3-41.2000113.2D272 S274 L300 S319 A330 E336 R337 F340 V341D272-Y334 VanDerWaalsContact CG-OH 3.22Å; D272-Y334 PolarHBondContact OD1-OH 3.08Å; D272-Y334 WeakPolarHBondContact OD2-CE1 3.48Å; D272-Y334 VanDerWaalsContact OD2-CZ 3.23Å; D272-Y334 PolarHBondContact OD2-OH 2.64Å; S274-Y334 PolarHBondContact OG-OH 3.32Å; L300-Y334 HydrophobicContact CB-CE2 4.16Å; L300-Y334 HydrophobicContact CD2-CD2 3.96Å; L300-Y334 HydrophobicContact CD2-CE2 4.09Å; S319-Y334 PolarHBondContact OG-OH 2.91Å; A330-Y334 HydrophobicContact CB-CD2 3.88Å; A330-Y334 HydrophobicContact CB-CE2 3.96Å; A330-Y334 VanDerWaalsContact O-CB 3.24Å; A330-Y334 WeakPolarHBondContact O-CB 3.38Å; A330-Y334 WeakPolarHBondContact O-CD2 3.45Å; A330-Y334 PolarHBondContact O-N 2.77Å; Y334-E336 PolarHBondContact O-N 2.95Å; Y334-R337 PolarHBondContact O-N 3.35Å; Y334-F340 AromaticContact CD1-CD2 3.82Å; Y334-F340 HydrophobicContact CD1-CD2 3.82Å; Y334-F340 HydrophobicContact CD1-CE2 4.48Å; Y334-F340 HydrophobicContact CD2-CB 3.74Å; Y334-F340 AromaticContact CD2-CD2 3.86Å; Y334-F340 HydrophobicContact CD2-CD2 3.86Å; Y334-F340 HydrophobicContact CD2-CG 4.05Å; Y334-F340 HydrophobicContact CE1-CD2 4.18Å; Y334-F340 HydrophobicContact CE1-CE2 4.49Å; Y334-F340 HydrophobicContact CE2-CD2 4.22Å; Y334-F340 HydrophobicContact CG-CB 3.84Å; Y334-F340 AromaticContact CG-CD2 3.65Å; Y334-F340 HydrophobicContact CG-CD2 3.65Å; Y334-F340 HydrophobicContact CG-CG 4.16Å; Y334-V341 WeakPolarHBondContact O-CG2 3.3Å
335S96.2Very high97.3Very high27 Ų2733 Ų3319%0.18916%0.156CC..THydrogen-bonded Turntrans-55.6-17.3-172.964.20000115.3L331 N372 H373L331-S335 PolarHBondContact O-N 3.12Å; S335-N372 VanDerWaalsContact O-CB 3.25Å; S335-N372 WeakPolarHBondContact O-CB 3.31Å; S335-N372 PolarHBondContact O-ND2 3.28Å; S335-H373 PolarHBondContact O-NE2 3.38Å
336E93.5Very high97.3Very high90 Ų9036.3 Ų36.342%0.42117%0.166SC..THydrogen-bonded Turntrans-108.4-0.5178.8-58.7-74.9171.700112.8R89 Y334 N372 H373R89-E336 IonicContact CZ-OE1 3.69Å; R89-E336 IonicContact CZ-OE2 3.34Å; R89-E336 IonicContact NH1-OE1 2.72Å; R89-E336 PolarHBondContact NH1-OE1 2.63Å; R89-E336 IonicContact NH2-OE1 3.97Å; R89-E336 PolarHBondContact NH2-OE1 2.62Å; R89-E336 IonicContact NH2-OE2 2.75Å; R89-E336 PolarHBondContact NH2-OE2 3.09Å; Y334-E336 PolarHBondContact O-N 2.95Å; E336-N372 PolarHBondContact OE1-ND2 3.35Å; E336-H373 VanDerWaalsContact C-CE1 3.46Å; E336-H373 PolarHBondContact O-CE1 3.38Å
337R95.6Very high97.2Very high49 Ų4938.2 Ų38.219%0.18518%0.175CC..  trans-105.894.4-179.4-62.5-179.3-174.7174.20.7110D243 S245 Y334 F339 F340 V341D243-R337 IonicContact OD1-NH1 3.58Å; D243-R337 IonicContact OD2-CZ 3.69Å; D243-R337 IonicContact OD2-NH1 2.97Å; D243-R337 PolarHBondContact OD2-NH1 3.29Å; D243-R337 IonicContact OD2-NH2 3.51Å; D243-R337 PolarHBondContact OD2-NH2 3.42Å; S245-R337 PolarHBondContact OG-NH1 2.92Å; Y334-R337 PolarHBondContact O-N 3.35Å; R337-F339 VanDerWaalsContact C-N 3.25Å; R337-F339 PolarHBondContact O-N 3.33Å; R337-F339 VanDerWaalsContact O-N 3.11Å; R337-F340 HydrophobicContact CB-CB 4.28Å; R337-F340 HydrophobicContact CB-CD2 4.12Å; R337-F340 PolarHBondContact O-N 3.41Å; R337-V341 WeakPolarHBondContact O-CG2 3.37Å; R337-V341 PolarHBondContact O-N 3.48Å
338A95.4Very high97.1Very high26 Ų2638.1 Ų38.122%0.21518%0.175CC..Hα-helixtrans-54.9-37.2-170.100000114.2R342 H373 N376 V379A338-R342 VanDerWaalsContact O-CB 3.31Å; A338-R342 WeakPolarHBondContact O-CB 3.32Å; A338-R342 PolarHBondContact O-N 3.41Å; A338-H373 PolarHBondContact N-CE1 2.88Å; A338-N376 WeakPolarHBondContact CB-ND2 3.41Å; A338-V379 HydrophobicContact CB-CG2 4.26Å; A338-V379 VanDerWaalsContact O-CG2 3.32Å; A338-V379 WeakPolarHBondContact O-CG2 3.4Å
339F95.2Very high97Very high36 Ų3641 Ų4116%0.15818%0.183CC..Hα-helixtrans-63.6-49.2177.5175.9-94.9000112D247 K248 R337 R342 E343D247-F339 HydrophobicContact CB-CB 4.32Å; D247-F339 HydrophobicContact CB-CD1 4.04Å; D247-F339 HydrophobicContact CB-CD2 4.36Å; D247-F339 HydrophobicContact CB-CG 3.98Å; D247-F339 WeakPolarHBondContact OD1-CB 3.42Å; D247-F339 WeakPolarHBondContact OD1-CD1 3.48Å; K248-F339 HydrophobicContact CB-CZ 3.88Å; K248-F339 HydrophobicContact CD-CZ 4.07Å; K248-F339 HydrophobicContact CG-CE1 4.47Å; K248-F339 HydrophobicContact CG-CZ 3.99Å; R337-F339 VanDerWaalsContact C-N 3.25Å; R337-F339 PolarHBondContact O-N 3.33Å; R337-F339 VanDerWaalsContact O-N 3.11Å; F339-R342 WeakPolarHBondContact O-CB 3.34Å; F339-R342 PolarHBondContact O-N 2.83Å; F339-E343 PolarHBondContact O-N 2.99Å
340F97.3Very high96.8Very high0 Ų043.5 Ų43.50%020%0.203CC..Hα-helixtrans-68.4-37.9177.5-68.5-21.4000112.8H217 D246 L300 Y334 R337 R342 E343 A344H217-F340 AromaticContact CE1-CE2 3.63Å; H217-F340 AromaticContact CE1-CZ 3.66Å; H217-F340 AromaticContact ND1-CE2 3.8Å; H217-F340 AromaticContact ND1-CZ 3.91Å; D246-F340 WeakPolarHBondContact O-CE1 3.24Å; D246-F340 WeakPolarHBondContact O-CZ 3.47Å; L300-F340 HydrophobicContact CD2-CB 3.67Å; L300-F340 HydrophobicContact CD2-CD1 3.95Å; L300-F340 HydrophobicContact CD2-CG 3.96Å; Y334-F340 AromaticContact CD1-CD2 3.82Å; Y334-F340 HydrophobicContact CD1-CD2 3.82Å; Y334-F340 HydrophobicContact CD1-CE2 4.48Å; Y334-F340 HydrophobicContact CD2-CB 3.74Å; Y334-F340 AromaticContact CD2-CD2 3.86Å; Y334-F340 HydrophobicContact CD2-CD2 3.86Å; Y334-F340 HydrophobicContact CD2-CG 4.05Å; Y334-F340 HydrophobicContact CE1-CD2 4.18Å; Y334-F340 HydrophobicContact CE1-CE2 4.49Å; Y334-F340 HydrophobicContact CE2-CD2 4.22Å; Y334-F340 HydrophobicContact CG-CB 3.84Å; Y334-F340 AromaticContact CG-CD2 3.65Å; Y334-F340 HydrophobicContact CG-CD2 3.65Å; Y334-F340 HydrophobicContact CG-CG 4.16Å; R337-F340 HydrophobicContact CB-CB 4.28Å; R337-F340 HydrophobicContact CB-CD2 4.12Å; R337-F340 PolarHBondContact O-N 3.41Å; F340-R342 VanDerWaalsContact C-N 3.32Å; F340-R342 PolarHBondContact O-N 3.36Å; F340-E343 PolarHBondContact O-N 3.23Å; F340-A344 VanDerWaalsContact O-CB 3.32Å; F340-A344 WeakPolarHBondContact O-CB 3.36Å; F340-A344 PolarHBondContact O-N 3.48Å
341V98.3Very high96.5Very high1 Ų146.6 Ų46.61%0.00622%0.22CC..Hα-helixtrans-59.1-47.1172.6175.60000110.2L331 Y334 R337 E343 A344 L345 V379L331-V341 HydrophobicContact CD2-CG1 4.31Å; Y334-V341 WeakPolarHBondContact O-CG2 3.3Å; R337-V341 WeakPolarHBondContact O-CG2 3.37Å; R337-V341 PolarHBondContact O-N 3.48Å; V341-E343 PolarHBondContact O-N 3.27Å; V341-A344 PolarHBondContact O-N 2.87Å; V341-L345 HydrophobicContact CG1-CD1 3.66Å; V341-L345 HydrophobicContact CG1-CG 4.23Å; V341-L345 WeakPolarHBondContact O-CB 3.12Å; V341-L345 WeakPolarHBondContact O-CG 3.31Å; V341-L345 PolarHBondContact O-N 2.89Å; V341-V379 HydrophobicContact CB-CG2 4.37Å; V341-V379 HydrophobicContact CG1-CG1 3.76Å; V341-V379 HydrophobicContact CG1-CG2 4.27Å
342R97.6Very high96.2Very high81 Ų8146.3 Ų46.331%0.30622%0.218SC..Hα-helixtrans-58.1-48.4176.3-178.4-144.571.9-168.71.2111.5A338 F339 F340 L345 F346 P378 V379A338-R342 VanDerWaalsContact O-CB 3.31Å; A338-R342 WeakPolarHBondContact O-CB 3.32Å; A338-R342 PolarHBondContact O-N 3.41Å; F339-R342 WeakPolarHBondContact O-CB 3.34Å; F339-R342 PolarHBondContact O-N 2.83Å; F340-R342 VanDerWaalsContact C-N 3.32Å; F340-R342 PolarHBondContact O-N 3.36Å; R342-L345 PolarHBondContact O-N 3.3Å; R342-F346 WeakPolarHBondContact O-CB 3.49Å; R342-F346 PolarHBondContact O-N 3.47Å; R342-P378 HydrophobicContact CG-CB 3.86Å; R342-V379 HydrophobicContact CB-CG2 4.03Å
343E96.9Very high95.7Very high20 Ų2045.2 Ų45.29%0.09322%0.215CC..Hα-helixtrans-63.1-47.2-178.7-161.979.5152.400111.8K248 L300 A301 F339 F340 V341 L345 F346 H347K248-E343 IonicContact NZ-OE1 3.72Å; K248-E343 PolarHBondContact NZ-OE1 3.34Å; L300-E343 HydrophobicContact CD1-CG 4.37Å; L300-E343 HydrophobicContact CD2-CB 4.29Å; L300-E343 HydrophobicContact CG-CB 4.5Å; L300-E343 HydrophobicContact CG-CG 4.43Å; A301-E343 HydrophobicContact CB-CG 3.96Å; F339-E343 PolarHBondContact O-N 2.99Å; F340-E343 PolarHBondContact O-N 3.23Å; V341-E343 PolarHBondContact O-N 3.27Å; E343-L345 PolarHBondContact O-N 3.08Å; E343-F346 WeakPolarHBondContact O-CB 3.47Å; E343-F346 PolarHBondContact O-N 3.1Å; E343-H347 PolarHBondContact O-CD2 3.15Å; E343-H347 PolarHBondContact O-N 2.95Å; E343-H347 VanDerWaalsContact O-N 3.17Å
344A98.2Very high95.2Very high0 Ų045.4 Ų45.40%023%0.228CC..Hα-helixtrans-62.8-41.4178.500000111.8L300 I327 A330 L331 F340 V341 H347 L348L300-A344 HydrophobicContact CD1-CB 4.41Å; L300-A344 HydrophobicContact CD2-CB 4.31Å; I327-A344 HydrophobicContact CG2-CB 4.38Å; I327-A344 WeakPolarHBondContact CG2-O 3.39Å; A330-A344 HydrophobicContact CB-CB 4.08Å; L331-A344 HydrophobicContact CD2-CB 3.72Å; L331-A344 HydrophobicContact CG-CB 3.89Å; F340-A344 VanDerWaalsContact O-CB 3.32Å; F340-A344 WeakPolarHBondContact O-CB 3.36Å; F340-A344 PolarHBondContact O-N 3.48Å; V341-A344 PolarHBondContact O-N 2.87Å; A344-H347 PolarHBondContact O-N 2.95Å; A344-L348 WeakPolarHBondContact O-CB 3.43Å; A344-L348 PolarHBondContact O-N 3.47Å
345L98.4Very high94.8Very high0 Ų046 Ų460%023%0.231CC..Hα-helixtrans-65.8-36.1175.5-70.8171.1000112.7L331 V341 R342 E343 H347 L348 F349 V366 V379 A382 A383 C386L331-L345 HydrophobicContact CD1-CD2 4.3Å; L331-L345 HydrophobicContact CD2-CD2 4Å; L331-L345 HydrophobicContact CD2-CG 3.93Å; V341-L345 HydrophobicContact CG1-CD1 3.66Å; V341-L345 HydrophobicContact CG1-CG 4.23Å; V341-L345 WeakPolarHBondContact O-CB 3.12Å; V341-L345 WeakPolarHBondContact O-CG 3.31Å; V341-L345 PolarHBondContact O-N 2.89Å; R342-L345 PolarHBondContact O-N 3.3Å; E343-L345 PolarHBondContact O-N 3.08Å; L345-H347 VanDerWaalsContact C-N 3.35Å; L345-L348 HydrophobicContact CD2-CD2 4.28Å; L345-L348 PolarHBondContact O-N 3Å; L345-F349 PolarHBondContact O-N 3.05Å; L345-V366 HydrophobicContact CD2-CB 4.33Å; L345-V366 HydrophobicContact CD2-CG1 4.13Å; L345-V366 HydrophobicContact CD2-CG2 3.86Å; L345-V379 HydrophobicContact CD1-CG1 4.09Å; L345-A382 HydrophobicContact CB-CB 3.65Å; L345-A382 HydrophobicContact CD1-CB 4.3Å; L345-A383 HydrophobicContact CD1-CB 3.73Å; L345-C386 PolarHBondContact O-SG 2.86Å; L345-C386 VanDerWaalsContact O-SG 3.34Å
346F96.8Very high94.4Very high124 Ų12453.4 Ų53.454%0.54426%0.263SS..Hα-helixtrans-61.1-44.6176.1174.2-96.8000111.5R342 E343 F349R342-F346 WeakPolarHBondContact O-CB 3.49Å; R342-F346 PolarHBondContact O-N 3.47Å; E343-F346 WeakPolarHBondContact O-CB 3.47Å; E343-F346 PolarHBondContact O-N 3.1Å; F346-F349 WeakPolarHBondContact O-CB 3.32Å; F346-F349 PolarHBondContact O-N 3.07Å
347H96.3Very high94.4Very high40 Ų4057 Ų5719%0.18528%0.277CS..Hα-helixtrans-71.4-37.9175.4-66.1-66.1000112.3E321 I327 E343 A344 L345 F349 S350 L351E321-H347 HydrophobicContact CB-CB 4.36Å; E321-H347 WeakPolarHBondContact CB-CD2 3.38Å; E321-H347 WeakPolarHBondContact CB-NE2 3.36Å; E321-H347 IonicContact OE2-CD2 4Å; E321-H347 IonicContact OE2-CE1 2.92Å; E321-H347 IonicContact OE2-NE2 3.76Å; E321-H347 PolarHBondContact OE2-NE2 3.1Å; I327-H347 HydrophobicContact CD1-CB 3.75Å; I327-H347 HydrophobicContact CG1-CB 4.31Å; E343-H347 PolarHBondContact O-CD2 3.15Å; E343-H347 PolarHBondContact O-N 2.95Å; E343-H347 VanDerWaalsContact O-N 3.17Å; A344-H347 PolarHBondContact O-N 2.95Å; L345-H347 VanDerWaalsContact C-N 3.35Å; H347-F349 VanDerWaalsContact C-N 3.26Å; H347-F349 PolarHBondContact O-N 3.14Å; H347-S350 WeakPolarHBondContact O-CB 3.16Å; H347-S350 PolarHBondContact O-N 3.33Å; H347-S350 VanDerWaalsContact O-N 3.16Å; H347-L351 PolarHBondContact O-N 2.86Å
348L97.5Very high94.3Very high1 Ų157.1 Ų57.11%0.00528%0.283CS..Hα-helixtrans-58.1-39.7174.6-173.959.2000111.9I327 L331 A344 L345 S350 L351 T352 I362 V366I327-L348 HydrophobicContact CG2-CB 3.83Å; I327-L348 HydrophobicContact CG2-CD1 4.13Å; I327-L348 HydrophobicContact CG2-CG 4.43Å; L331-L348 HydrophobicContact CD1-CD2 3.91Å; A344-L348 WeakPolarHBondContact O-CB 3.43Å; A344-L348 PolarHBondContact O-N 3.47Å; L345-L348 HydrophobicContact CD2-CD2 4.28Å; L345-L348 PolarHBondContact O-N 3Å; L348-S350 PolarHBondContact O-N 3.32Å; L348-L351 PolarHBondContact O-N 3.34Å; L348-T352 HydrophobicContact CD1-CG2 4.02Å; L348-T352 HydrophobicContact CG-CG2 3.93Å; L348-T352 WeakPolarHBondContact O-CG2 3.34Å; L348-T352 PolarHBondContact O-N 3.19Å; L348-T352 PolarHBondContact O-OG1 3.04Å; L348-I362 HydrophobicContact CD1-CG2 3.89Å; L348-I362 HydrophobicContact CD2-CG2 3.8Å; L348-I362 HydrophobicContact CG-CG2 4.37Å; L348-V366 HydrophobicContact CD2-CG2 3.61Å
349F96.5Very high94.2Very high81 Ų8158.1 Ų58.136%0.35528%0.283SS..Hα-helixtrans-55.1-42.1178.3172.3-104.3000111.8L345 F346 H347 L351 T352 H353 A385 N389L345-F349 PolarHBondContact O-N 3.05Å; F346-F349 WeakPolarHBondContact O-CB 3.32Å; F346-F349 PolarHBondContact O-N 3.07Å; H347-F349 VanDerWaalsContact C-N 3.26Å; H347-F349 PolarHBondContact O-N 3.14Å; F349-L351 VanDerWaalsContact C-N 3.31Å; F349-L351 PolarHBondContact O-N 2.95Å; F349-T352 WeakPolarHBondContact CA-OG1 3.37Å; F349-T352 PolarHBondContact O-N 3.23Å; F349-T352 PolarHBondContact O-OG1 3.42Å; F349-H353 PolarHBondContact O-N 2.93Å; F349-A385 HydrophobicContact CD2-CB 3.7Å; F349-A385 HydrophobicContact CE2-CB 3.85Å; F349-N389 VanDerWaalsContact CD2-ND2 3.33Å; F349-N389 WeakPolarHBondContact CD2-ND2 3.44Å; F349-N389 WeakPolarHBondContact CE2-ND2 3.22Å
350S93.9Very high94.2Very high76 Ų7657.1 Ų57.153%0.53128%0.28SS..Hα-helixtrans-63.7-35.1177.9-58.50000112.6H347 L348H347-S350 WeakPolarHBondContact O-CB 3.16Å; H347-S350 PolarHBondContact O-N 3.33Å; H347-S350 VanDerWaalsContact O-N 3.16Å; L348-S350 PolarHBondContact O-N 3.32Å
351L92.8Very high94.1Very high67 Ų6758.9 Ų58.935%0.35129%0.288SS..Hα-helixtrans-77.4-33.7177.3-60.7-176.8000113.1E324 I327 H347 L348 F349 H353E324-L351 HydrophobicContact CB-CD1 4.09Å; I327-L351 HydrophobicContact CD1-CD1 3.59Å; I327-L351 HydrophobicContact CD1-CG 4.44Å; H347-L351 PolarHBondContact O-N 2.86Å; L348-L351 PolarHBondContact O-N 3.34Å; F349-L351 VanDerWaalsContact C-N 3.31Å; F349-L351 PolarHBondContact O-N 2.95Å; L351-H353 VanDerWaalsContact C-N 3.34Å; L351-H353 PolarHBondContact O-N 3.14Å
352T91.1Very high94.1Very high0 Ų059.1 Ų59.10%029%0.289CS..Hα-helixtrans-75.5-21.4-177.355.60000113.6L348 F349 V354 M355 N389 L390L348-T352 HydrophobicContact CD1-CG2 4.02Å; L348-T352 HydrophobicContact CG-CG2 3.93Å; L348-T352 WeakPolarHBondContact O-CG2 3.34Å; L348-T352 PolarHBondContact O-N 3.19Å; L348-T352 PolarHBondContact O-OG1 3.04Å; F349-T352 WeakPolarHBondContact CA-OG1 3.37Å; F349-T352 PolarHBondContact O-N 3.23Å; F349-T352 PolarHBondContact O-OG1 3.42Å; T352-V354 VanDerWaalsContact C-N 3.28Å; T352-V354 PolarHBondContact O-N 3.07Å; T352-M355 HydrophobicContact CG2-CE 4.12Å; T352-M355 VanDerWaalsContact O-CB 3.3Å; T352-M355 WeakPolarHBondContact O-CB 3.46Å; T352-M355 PolarHBondContact O-N 3.11Å; T352-M355 VanDerWaalsContact O-N 3.12Å; T352-N389 WeakPolarHBondContact OG1-CB 3.36Å; T352-N389 PolarHBondContact OG1-ND2 3Å; T352-N389 VanDerWaalsContact OG1-ND2 3.09Å; T352-L390 HydrophobicContact CG2-CD1 4.3Å; T352-L390 HydrophobicContact CG2-CD2 3.79Å; T352-L390 HydrophobicContact CG2-CG 3.91Å
353H87.7Confident94Very high117 Ų11755.2 Ų55.254%0.54228%0.275SS..THydrogen-bonded Turntrans-56.2-42.1-177.6-178.459.8000113.1F349 L351 K392F349-H353 PolarHBondContact O-N 2.93Å; L351-H353 VanDerWaalsContact C-N 3.34Å; L351-H353 PolarHBondContact O-N 3.14Å; H353-K392 PolarHBondContact O-NZ 2.95Å
354V87.4Confident94Very high113 Ų11357.1 Ų57.169%0.68528%0.283SS*.THydrogen-bonded Turntrans-96.810.9-178.7-62.20000113.4T352 E356T352-V354 VanDerWaalsContact C-N 3.28Å; T352-V354 PolarHBondContact O-N 3.07Å; V354-E356 PolarHBondContact O-N 3.47Å
355M87.9Confident94Very high17 Ų1758.7 Ų58.78%0.08429%0.291CS..  trans-74.5127.3-176.3-169.7170.7-68.400111.4T352 K357 K359 L390T352-M355 HydrophobicContact CG2-CE 4.12Å; T352-M355 VanDerWaalsContact O-CB 3.3Å; T352-M355 WeakPolarHBondContact O-CB 3.46Å; T352-M355 PolarHBondContact O-N 3.11Å; T352-M355 VanDerWaalsContact O-N 3.12Å; M355-K357 WeakPolarHBondContact CG-O 3.48Å; M355-K359 HydrophobicContact CE-CD 3.74Å; M355-K359 HydrophobicContact CE-CG 4.48Å; M355-K359 HydrophobicContact SD-CB 4.12Å; M355-K359 HydrophobicContact SD-CD 3.8Å; M355-K359 HydrophobicContact SD-CG 3.87Å; M355-L390 HydrophobicContact CE-CD2 4.35Å; M355-L390 HydrophobicContact SD-CD2 3.54Å; M355-L390 VanDerWaalsContact SD-CD2 3.54Å
356E88.3Confident94.1Very high182 Ų18258.7 Ų58.785%0.8529%0.291SS*.  trans-113.8-12.6178-64-179.5170.100113V354 L395V354-E356 PolarHBondContact O-N 3.47Å; E356-L395 WeakPolarHBondContact O-CD2 3.32Å
357K92.6Very high94.1Very high166 Ų16652.9 Ų52.972%0.72227%0.265SS*.SBendtrans-103.7133.6179-67.5-177.7-179.6176.50110.4M355 K359M355-K357 WeakPolarHBondContact CG-O 3.48Å; K357-K359 PolarHBondContact O-N 3.32Å
358T93.9Very high94.2Very high52 Ų5252.8 Ų52.832%0.31927%0.268SS..  trans-60126171.7-59.80000110.8P360 G398 M399T358-P360 HydrophobicContact CG2-CG 4.24Å; T358-G398 VanDerWaalsContact CG2-C 3.43Å; T358-G398 WeakPolarHBondContact CG2-O 3.44Å; T358-M399 HydrophobicContact CG2-CE 3.34Å; T358-M399 HydrophobicContact CG2-CG 4.26Å; T358-M399 HydrophobicContact CG2-SD 4.17Å
359K94.4Very high94.2Very high47 Ų4752.9 Ų52.920%0.20427%0.269CS..  trans-128.880.6-179.1-69.9-160-177.4-172.40113.5E324 M355 K357 E361 I362 L363 M399E324-K359 IonicContact OE1-NZ 2.69Å; E324-K359 PolarHBondContact OE1-NZ 3.14Å; E324-K359 IonicContact OE2-NZ 2.77Å; E324-K359 PolarHBondContact OE2-NZ 3.46Å; M355-K359 HydrophobicContact CE-CD 3.74Å; M355-K359 HydrophobicContact CE-CG 4.48Å; M355-K359 HydrophobicContact SD-CB 4.12Å; M355-K359 HydrophobicContact SD-CD 3.8Å; M355-K359 HydrophobicContact SD-CG 3.87Å; K357-K359 PolarHBondContact O-N 3.32Å; K359-E361 VanDerWaalsContact C-N 3.25Å; K359-E361 VanDerWaalsContact C-OE2 3.3Å; K359-E361 VanDerWaalsContact CB-OE1 3.24Å; K359-E361 WeakPolarHBondContact CB-OE1 3.32Å; K359-E361 WeakPolarHBondContact CG-OE1 3.31Å; K359-E361 PolarHBondContact O-N 2.77Å; K359-I362 HydrophobicContact CB-CB 4.08Å; K359-I362 HydrophobicContact CB-CG1 3.96Å; K359-I362 HydrophobicContact CD-CG1 3.93Å; K359-I362 PolarHBondContact O-N 3.37Å; K359-L363 PolarHBondContact O-N 3.48Å; K359-M399 VanDerWaalsContact N-CE 3.28Å; K359-M399 WeakPolarHBondContact O-CE 3.22Å
360P95.4Very high94.3Very high14 Ų1449 Ų499%0.09125%0.252CS..Hα-helixtrans-61.5-34-176.3-22.934.8000113.1A9 T358 I362 L363 K364 M399 P400 L403A9-P360 HydrophobicContact CB-CG 4.29Å; T358-P360 HydrophobicContact CG2-CG 4.24Å; P360-I362 PolarHBondContact O-N 3.19Å; P360-L363 PolarHBondContact O-N 3.5Å; P360-K364 WeakPolarHBondContact O-CB 3.45Å; P360-K364 PolarHBondContact O-N 2.97Å; P360-M399 HydrophobicContact CB-CE 4.22Å; P360-M399 HydrophobicContact CB-SD 4.01Å; P360-M399 HydrophobicContact CG-CE 3.89Å; P360-M399 HydrophobicContact CG-SD 3.97Å; P360-P400 HydrophobicContact CB-CG 4.07Å; P360-P400 HydrophobicContact CG-CG 4.2Å; P360-L403 HydrophobicContact CB-CD2 4.15Å; P360-L403 WeakPolarHBondContact O-CD2 3.47Å
361E94.9Very high94.4Very high38 Ų3849 Ų4918%0.17824%0.24CC..Hα-helixtrans-61.7-40.717870.3-67.3165.200112.6K359 L365K359-E361 VanDerWaalsContact C-N 3.25Å; K359-E361 VanDerWaalsContact C-OE2 3.3Å; K359-E361 VanDerWaalsContact CB-OE1 3.24Å; K359-E361 WeakPolarHBondContact CB-OE1 3.32Å; K359-E361 WeakPolarHBondContact CG-OE1 3.31Å; K359-E361 PolarHBondContact O-N 2.77Å; E361-L365 WeakPolarHBondContact O-CG 3.43Å; E361-L365 PolarHBondContact O-N 2.92Å
362I96.8Very high94.5Very high5 Ų547.2 Ų47.23%0.02623%0.231CC..Hα-helixtrans-70.7-45.1176.8-61.9-58.1000110.2E324 A328 L348 K359 P360 K364 L365 V366 L390E324-I362 HydrophobicContact CG-CD1 3.98Å; A328-I362 HydrophobicContact CB-CD1 4.09Å; L348-I362 HydrophobicContact CD1-CG2 3.89Å; L348-I362 HydrophobicContact CD2-CG2 3.8Å; L348-I362 HydrophobicContact CG-CG2 4.37Å; K359-I362 HydrophobicContact CB-CB 4.08Å; K359-I362 HydrophobicContact CB-CG1 3.96Å; K359-I362 HydrophobicContact CD-CG1 3.93Å; K359-I362 PolarHBondContact O-N 3.37Å; P360-I362 PolarHBondContact O-N 3.19Å; I362-K364 VanDerWaalsContact C-N 3.27Å; I362-K364 PolarHBondContact O-N 3.45Å; I362-L365 WeakPolarHBondContact O-CB 3.41Å; I362-L365 PolarHBondContact O-N 2.98Å; I362-L365 VanDerWaalsContact O-N 3.1Å; I362-V366 WeakPolarHBondContact O-CG2 3.36Å; I362-V366 PolarHBondContact O-N 3.33Å; I362-V366 VanDerWaalsContact O-N 3.08Å; I362-L390 HydrophobicContact CG2-CD1 4.06Å; I362-L390 HydrophobicContact CG2-CD2 4.3Å
363L97Very high94.8Very high0 Ų048.2 Ų48.20%024%0.236CC..Hα-helixtrans-61.6-36.4177.9-177.560000111.8K359 P360 L365 V366 V367 V387 L390 T391 M399 L403 V407K359-L363 PolarHBondContact O-N 3.48Å; P360-L363 PolarHBondContact O-N 3.5Å; L363-L365 VanDerWaalsContact C-N 3.32Å; L363-L365 PolarHBondContact O-N 3.34Å; L363-V366 PolarHBondContact O-N 3.5Å; L363-V367 WeakPolarHBondContact O-CB 3.42Å; L363-V367 WeakPolarHBondContact O-CG2 3.34Å; L363-V367 PolarHBondContact O-N 3.09Å; L363-V387 HydrophobicContact CD1-CG2 4.05Å; L363-L390 HydrophobicContact CB-CD1 4.24Å; L363-L390 HydrophobicContact CD1-CB 4.27Å; L363-L390 HydrophobicContact CD1-CD1 4.04Å; L363-T391 HydrophobicContact CD2-CG2 3.96Å; L363-M399 HydrophobicContact CB-SD 4.49Å; L363-M399 HydrophobicContact CD2-CE 4.4Å; L363-M399 HydrophobicContact CD2-CG 4.05Å; L363-M399 HydrophobicContact CD2-SD 3.66Å; L363-L403 HydrophobicContact CB-CD2 3.9Å; L363-L403 HydrophobicContact CD2-CD2 3.82Å; L363-L403 HydrophobicContact CD2-CG 3.89Å; L363-L403 HydrophobicContact CG-CD2 3.89Å; L363-L403 HydrophobicContact CG-CG 4.03Å; L363-V407 HydrophobicContact CD1-CG2 3.85Å; L363-V407 HydrophobicContact CD2-CG2 4.1Å; L363-V407 HydrophobicContact CG-CG2 4.03Å
364K97.1Very high95.2Very high60 Ų6044.6 Ų44.626%0.26122%0.222SC..Hα-helixtrans-60.5-38.5173.9-174.9167.8-178.9156.40112.5E11 E12 P360 I362 T368 L403E11-K364 IonicContact OE2-NZ 2.77Å; E11-K364 PolarHBondContact OE2-NZ 3.33Å; E12-K364 HydrophobicContact CG-CD 4.47Å; E12-K364 WeakPolarHBondContact OE1-CE 3.27Å; E12-K364 IonicContact OE1-NZ 3.88Å; E12-K364 PolarHBondContact OE1-NZ 3.39Å; P360-K364 WeakPolarHBondContact O-CB 3.45Å; P360-K364 PolarHBondContact O-N 2.97Å; I362-K364 VanDerWaalsContact C-N 3.27Å; I362-K364 PolarHBondContact O-N 3.45Å; K364-T368 WeakPolarHBondContact O-CB 3.45Å; K364-T368 PolarHBondContact O-N 3.14Å; K364-T368 PolarHBondContact O-OG1 3.32Å; K364-L403 HydrophobicContact CB-CD1 4.4Å
365L98.4Very high95.7Very high33 Ų3345.2 Ų45.217%0.17322%0.219CC..Hα-helixtrans-67.1-42174-66.7171.9000111.8A328 L331 K332 E361 I362 L363 T368 G369A328-L365 HydrophobicContact CB-CD1 3.76Å; L331-L365 HydrophobicContact CB-CB 3.97Å; L331-L365 HydrophobicContact CB-CD1 4.32Å; L331-L365 HydrophobicContact CB-CD2 4.36Å; L331-L365 HydrophobicContact CB-CG 4.46Å; L331-L365 HydrophobicContact CD1-CB 4Å; K332-L365 HydrophobicContact CB-CD2 4.09Å; E361-L365 WeakPolarHBondContact O-CG 3.43Å; E361-L365 PolarHBondContact O-N 2.92Å; I362-L365 WeakPolarHBondContact O-CB 3.41Å; I362-L365 PolarHBondContact O-N 2.98Å; I362-L365 VanDerWaalsContact O-N 3.1Å; L363-L365 VanDerWaalsContact C-N 3.32Å; L363-L365 PolarHBondContact O-N 3.34Å; L365-T368 WeakPolarHBondContact O-CB 3.43Å; L365-T368 PolarHBondContact O-N 3.46Å; L365-G369 PolarHBondContact O-N 3.12Å
366V98.4Very high96.1Very high0 Ų046.8 Ų46.80%023%0.228CC..Hα-helixtrans-61.5-46.9175.2179.70000111.1L345 L348 I362 L363 T368 G369 M370 A383 C386 V387 L390L345-V366 HydrophobicContact CD2-CB 4.33Å; L345-V366 HydrophobicContact CD2-CG1 4.13Å; L345-V366 HydrophobicContact CD2-CG2 3.86Å; L348-V366 HydrophobicContact CD2-CG2 3.61Å; I362-V366 WeakPolarHBondContact O-CG2 3.36Å; I362-V366 PolarHBondContact O-N 3.33Å; I362-V366 VanDerWaalsContact O-N 3.08Å; L363-V366 PolarHBondContact O-N 3.5Å; V366-T368 VanDerWaalsContact C-N 3.26Å; V366-T368 PolarHBondContact O-N 3.05Å; V366-G369 PolarHBondContact O-N 3.47Å; V366-G369 VanDerWaalsContact O-N 3.14Å; V366-M370 WeakPolarHBondContact O-CG 3.47Å; V366-M370 PolarHBondContact O-N 3.39Å; V366-A383 HydrophobicContact CG1-CB 3.87Å; V366-C386 HydrophobicContact CG1-CB 4.19Å; V366-C386 HydrophobicContact CG2-CB 4.06Å; V366-V387 HydrophobicContact CG1-CG2 3.8Å; V366-L390 HydrophobicContact CG2-CD1 4.04Å
367V98Very high96.6Very high2 Ų240 Ų401%0.01220%0.198CC..Hα-helixtrans-56.8-40.6175.2162.90000111.4L363 M370 R371 L403 D406 V407 L410L363-V367 WeakPolarHBondContact O-CB 3.42Å; L363-V367 WeakPolarHBondContact O-CG2 3.34Å; L363-V367 PolarHBondContact O-N 3.09Å; V367-M370 PolarHBondContact O-N 2.98Å; V367-R371 VanDerWaalsContact O-CB 3.27Å; V367-R371 WeakPolarHBondContact O-CB 3.47Å; V367-R371 PolarHBondContact O-N 3.24Å; V367-L403 HydrophobicContact CB-CD1 4.44Å; V367-L403 HydrophobicContact CG2-CD1 3.93Å; V367-D406 HydrophobicContact CG1-CB 4.38Å; V367-V407 HydrophobicContact CG2-CG2 3.33Å; V367-L410 HydrophobicContact CB-CD1 4.4Å; V367-L410 HydrophobicContact CG1-CD1 3.74Å
368T97.7Very high96.9Very high38 Ų3835 Ų3523%0.23318%0.182CC..Hα-helixtrans-63.6-45.3177.1-58.90000111.1K364 L365 V366 M370 R371 N372K364-T368 WeakPolarHBondContact O-CB 3.45Å; K364-T368 PolarHBondContact O-N 3.14Å; K364-T368 PolarHBondContact O-OG1 3.32Å; L365-T368 WeakPolarHBondContact O-CB 3.43Å; L365-T368 PolarHBondContact O-N 3.46Å; V366-T368 VanDerWaalsContact C-N 3.26Å; V366-T368 PolarHBondContact O-N 3.05Å; T368-M370 PolarHBondContact O-N 3.33Å; T368-R371 PolarHBondContact O-N 3.48Å; T368-N372 WeakPolarHBondContact O-CB 3.32Å; T368-N372 VanDerWaalsContact O-CG 3.3Å; T368-N372 PolarHBondContact O-N 2.91Å
369G98.2Very high97.1Very high3 Ų332.6 Ų32.63%0.03117%0.167CC..Hα-helixtrans-59.4-44.4174.200000113L365 V366 H373L365-G369 PolarHBondContact O-N 3.12Å; V366-G369 PolarHBondContact O-N 3.47Å; V366-G369 VanDerWaalsContact O-N 3.14Å; G369-H373 PolarHBondContact O-CD2 2.91Å; G369-H373 PolarHBondContact O-N 3.16Å
370M98.5Very high97.3Very high0 Ų030.5 Ų30.50%016%0.158CC..Hα-helixtrans-61.1-46.5176.1-69.5-178.477.500112.1V366 V367 T368 H373 Q380 A383 V387 L410 L411V366-M370 WeakPolarHBondContact O-CG 3.47Å; V366-M370 PolarHBondContact O-N 3.39Å; V367-M370 PolarHBondContact O-N 2.98Å; T368-M370 PolarHBondContact O-N 3.33Å; M370-H373 CarbonylContact O-C 3.52Å; M370-H373 PolarHBondContact O-N 3.18Å; M370-Q380 PolarHBondContact O-NE2 3.14Å; M370-A383 HydrophobicContact CG-CB 3.29Å; M370-A383 HydrophobicContact SD-CB 3.98Å; M370-V387 HydrophobicContact SD-CG2 3.88Å; M370-L410 HydrophobicContact CB-CB 4.48Å; M370-L410 HydrophobicContact CB-CD1 4.06Å; M370-L410 HydrophobicContact CE-CB 3.94Å; M370-L410 HydrophobicContact SD-CB 4.45Å; M370-L411 HydrophobicContact CE-CD2 3.99Å; M370-L411 HydrophobicContact CE-CG 4.49Å
371R96.3Very high97.5Very high74 Ų7432.2 Ų32.228%0.27917%0.166SC..Hα-helixtrans-66.5-39-177-176.7-179-68.6136.8-4.9112.6V367 T368 P374 D406 L410V367-R371 VanDerWaalsContact O-CB 3.27Å; V367-R371 WeakPolarHBondContact O-CB 3.47Å; V367-R371 PolarHBondContact O-N 3.24Å; T368-R371 PolarHBondContact O-N 3.48Å; R371-P374 WeakPolarHBondContact O-CD 3.27Å; R371-D406 IonicContact CZ-OD2 3.29Å; R371-D406 IonicContact NH2-OD2 2.69Å; R371-D406 PolarHBondContact NH2-OD2 2.84Å; R371-L410 HydrophobicContact CB-CD1 4.28Å; R371-L410 HydrophobicContact CB-CD2 4.27Å
372N95Very high97.6Very high30 Ų3031.2 Ų31.216%0.1617%0.165CC..Hα-helixtrans-75.8-27.7-178.6-70.4-5000112.2S335 E336 T368 P374S335-N372 VanDerWaalsContact O-CB 3.25Å; S335-N372 WeakPolarHBondContact O-CB 3.31Å; S335-N372 PolarHBondContact O-ND2 3.28Å; E336-N372 PolarHBondContact OE1-ND2 3.35Å; T368-N372 WeakPolarHBondContact O-CB 3.32Å; T368-N372 VanDerWaalsContact O-CG 3.3Å; T368-N372 PolarHBondContact O-N 2.91Å; N372-P374 WeakPolarHBondContact O-CD 3.42Å
373H96.7Very high97.7Very high21 Ų2131 Ų3110%0.09716%0.163CC..  trans-12355.3-176.2-57-61.7000114.1S335 E336 A338 G369 M370 M375 N376 V379 Q380S335-H373 PolarHBondContact O-NE2 3.38Å; E336-H373 VanDerWaalsContact C-CE1 3.46Å; E336-H373 PolarHBondContact O-CE1 3.38Å; A338-H373 PolarHBondContact N-CE1 2.88Å; G369-H373 PolarHBondContact O-CD2 2.91Å; G369-H373 PolarHBondContact O-N 3.16Å; M370-H373 CarbonylContact O-C 3.52Å; M370-H373 PolarHBondContact O-N 3.18Å; H373-M375 PolarHBondContact O-N 3.17Å; H373-M375 VanDerWaalsContact O-N 3.17Å; H373-N376 HydrophobicContact CB-CB 3.87Å; H373-N376 PolarHBondContact O-N 3.21Å; H373-N376 VanDerWaalsContact O-N 3.12Å; H373-V379 HydrophobicContact CB-CB 4.12Å; H373-V379 HydrophobicContact CB-CG1 3.89Å; H373-V379 HydrophobicContact CB-CG2 4.26Å; H373-Q380 PolarHBondContact O-NE2 3.41Å
374P96.3Very high97.8Very high41 Ų4131 Ų3127%0.26616%0.163SC..THydrogen-bonded Turntrans-64.9-25.5-171.927.2-35.3000113.7R371 N372 H417 F418R371-P374 WeakPolarHBondContact O-CD 3.27Å; N372-P374 WeakPolarHBondContact O-CD 3.42Å; P374-H417 PolarHBondContact O-ND1 2.9Å; P374-F418 WeakPolarHBondContact O-CE2 3.36Å
375M96.9Very high97.8Very high126 Ų12628.8 Ų28.862%0.62116%0.156SC*.THydrogen-bonded Turntrans-103.65.5-179.9-58.1-55.8-65.600113.3H373 H417H373-M375 PolarHBondContact O-N 3.17Å; H373-M375 VanDerWaalsContact O-N 3.17Å; M375-H417 HydrophobicContact CE-CB 4.45Å; M375-H417 HydrophobicContact SD-CB 4.08Å; M375-H417 VanDerWaalsContact SD-CG 3.59Å
376N98Very high97.8Very high51 Ų5127.2 Ų27.227%0.27315%0.148SC..  trans-95.3101.2177.1-170.8-64.7000110.2A338 H373 P378 V379 Q380A338-N376 WeakPolarHBondContact CB-ND2 3.41Å; H373-N376 HydrophobicContact CB-CB 3.87Å; H373-N376 PolarHBondContact O-N 3.21Å; H373-N376 VanDerWaalsContact O-N 3.12Å; N376-P378 WeakPolarHBondContact OD1-CD 3.3Å; N376-V379 HydrophobicContact CB-CB 4.11Å; N376-V379 HydrophobicContact CB-CG2 4.16Å; N376-V379 PolarHBondContact O-N 3.43Å; N376-V379 WeakPolarHBondContact OD1-CG2 3.43Å; N376-V379 PolarHBondContact OD1-N 2.92Å; N376-Q380 WeakPolarHBondContact O-CG 3.36Å; N376-Q380 PolarHBondContact O-N 3.22Å
377L98.4Very high97.8Very high39 Ų3927.2 Ų27.220%0.20415%0.148CC..Hα-helixtrans-55.4-49.6-177.4173.169000113.5V379 Q380 L381 F418 H421 L424L377-V379 VanDerWaalsContact C-N 3.31Å; L377-V379 PolarHBondContact O-N 3.14Å; L377-Q380 PolarHBondContact O-N 3.39Å; L377-L381 HydrophobicContact CD1-CD1 3.81Å; L377-L381 HydrophobicContact CD1-CG 3.87Å; L377-L381 HydrophobicContact CD2-CD1 4.4Å; L377-L381 HydrophobicContact CG-CD1 3.77Å; L377-L381 HydrophobicContact CG-CG 4.29Å; L377-L381 WeakPolarHBondContact O-CB 3.48Å; L377-L381 WeakPolarHBondContact O-CG 3.49Å; L377-L381 PolarHBondContact O-N 3.46Å; L377-F418 HydrophobicContact CB-CD1 4.18Å; L377-F418 HydrophobicContact CB-CE1 3.65Å; L377-F418 HydrophobicContact CB-CZ 3.94Å; L377-F418 HydrophobicContact CD1-CD1 3.85Å; L377-F418 HydrophobicContact CD1-CE1 4.17Å; L377-F418 HydrophobicContact CD1-CG 4.03Å; L377-F418 HydrophobicContact CG-CE1 4.44Å; L377-H421 HydrophobicContact CD1-CB 4.1Å; L377-H421 WeakPolarHBondContact CD2-CE1 3.48Å; L377-L424 HydrophobicContact CD1-CD2 3.97Å
378P98.1Very high97.7Very high62 Ų6230 Ų3040%0.40316%0.16SC..Hα-helixtrans-54.6-42.2176.2-28.833.6000114.3R342 N376 A382R342-P378 HydrophobicContact CG-CB 3.86Å; N376-P378 WeakPolarHBondContact OD1-CD 3.3Å; P378-A382 PolarHBondContact O-N 3.25Å; P378-A382 VanDerWaalsContact O-N 3.15Å
379V98.6Very high97.6Very high0 Ų028.6 Ų28.60%015%0.151CC..Hα-helixtrans-65.5-47.4176.2172.50000110.8A338 V341 R342 L345 H373 N376 L377 L381 A382 A383A338-V379 HydrophobicContact CB-CG2 4.26Å; A338-V379 VanDerWaalsContact O-CG2 3.32Å; A338-V379 WeakPolarHBondContact O-CG2 3.4Å; V341-V379 HydrophobicContact CB-CG2 4.37Å; V341-V379 HydrophobicContact CG1-CG1 3.76Å; V341-V379 HydrophobicContact CG1-CG2 4.27Å; R342-V379 HydrophobicContact CB-CG2 4.03Å; L345-V379 HydrophobicContact CD1-CG1 4.09Å; H373-V379 HydrophobicContact CB-CB 4.12Å; H373-V379 HydrophobicContact CB-CG1 3.89Å; H373-V379 HydrophobicContact CB-CG2 4.26Å; N376-V379 HydrophobicContact CB-CB 4.11Å; N376-V379 HydrophobicContact CB-CG2 4.16Å; N376-V379 PolarHBondContact O-N 3.43Å; N376-V379 WeakPolarHBondContact OD1-CG2 3.43Å; N376-V379 PolarHBondContact OD1-N 2.92Å; L377-V379 VanDerWaalsContact C-N 3.31Å; L377-V379 PolarHBondContact O-N 3.14Å; V379-L381 VanDerWaalsContact C-N 3.33Å; V379-L381 PolarHBondContact O-N 3.25Å; V379-A382 PolarHBondContact O-N 3.42Å; V379-A383 WeakPolarHBondContact O-CB 3.44Å; V379-A383 PolarHBondContact O-N 3.27Å
380Q98.7Very high97.5Very high3 Ų328.6 Ų28.61%0.01415%0.151CC..Hα-helixtrans-63.4-37.8-180-65.7-56.6-40.800112.5M370 H373 N376 L377 S384 F418 L424M370-Q380 PolarHBondContact O-NE2 3.14Å; H373-Q380 PolarHBondContact O-NE2 3.41Å; N376-Q380 WeakPolarHBondContact O-CG 3.36Å; N376-Q380 PolarHBondContact O-N 3.22Å; L377-Q380 PolarHBondContact O-N 3.39Å; Q380-S384 WeakPolarHBondContact O-CB 3.42Å; Q380-S384 PolarHBondContact O-N 3.45Å; Q380-S384 PolarHBondContact O-OG 2.67Å; Q380-F418 HydrophobicContact CB-CE2 4.32Å; Q380-F418 HydrophobicContact CG-CE2 3.88Å; Q380-L424 HydrophobicContact CB-CD1 4.27Å; Q380-L424 HydrophobicContact CB-CD2 4.1Å
381L98.4Very high97.4Very high50 Ų5028.7 Ų28.726%0.26215%0.151SC..Hα-helixtrans-61.5-51.2174.9-81.5167.8000111.8L377 V379 S384 A385 Q423 L424 N427L377-L381 HydrophobicContact CD1-CD1 3.81Å; L377-L381 HydrophobicContact CD1-CG 3.87Å; L377-L381 HydrophobicContact CD2-CD1 4.4Å; L377-L381 HydrophobicContact CG-CD1 3.77Å; L377-L381 HydrophobicContact CG-CG 4.29Å; L377-L381 WeakPolarHBondContact O-CB 3.48Å; L377-L381 WeakPolarHBondContact O-CG 3.49Å; L377-L381 PolarHBondContact O-N 3.46Å; V379-L381 VanDerWaalsContact C-N 3.33Å; V379-L381 PolarHBondContact O-N 3.25Å; L381-S384 PolarHBondContact O-OG 3.31Å; L381-A385 PolarHBondContact O-N 3.35Å; L381-Q423 HydrophobicContact CD2-CB 4.15Å; L381-Q423 HydrophobicContact CD2-CG 4.28Å; L381-L424 HydrophobicContact CD2-CB 3.63Å; L381-L424 HydrophobicContact CG-CB 4.36Å; L381-N427 PolarHBondContact O-ND2 2.92Å
382A98.1Very high97.2Very high17 Ų1728.1 Ų28.114%0.1415%0.151CC..Hα-helixtrans-67-41.6-179.800000111.8L345 P378 V379 A385 C386L345-A382 HydrophobicContact CB-CB 3.65Å; L345-A382 HydrophobicContact CD1-CB 4.3Å; P378-A382 PolarHBondContact O-N 3.25Å; P378-A382 VanDerWaalsContact O-N 3.15Å; V379-A382 PolarHBondContact O-N 3.42Å; A382-A385 PolarHBondContact O-N 3.34Å; A382-C386 PolarHBondContact O-N 3.33Å; A382-C386 VanDerWaalsContact O-N 3.1Å; A382-C386 PolarHBondContact O-SG 3.48Å
383A98.7Very high96.9Very high0 Ų034.4 Ų34.40%018%0.179CC..Hα-helixtrans-65.9-48-179.800000112.1L345 V366 M370 V379 A385 C386 V387L345-A383 HydrophobicContact CD1-CB 3.73Å; V366-A383 HydrophobicContact CG1-CB 3.87Å; M370-A383 HydrophobicContact CG-CB 3.29Å; M370-A383 HydrophobicContact SD-CB 3.98Å; V379-A383 WeakPolarHBondContact O-CB 3.44Å; V379-A383 PolarHBondContact O-N 3.27Å; A383-A385 PolarHBondContact O-N 2.96Å; A383-C386 WeakPolarHBondContact O-CB 3.36Å; A383-C386 PolarHBondContact O-N 3.2Å; A383-C386 VanDerWaalsContact O-N 3.1Å; A383-V387 WeakPolarHBondContact O-CG2 3.48Å; A383-V387 PolarHBondContact O-N 3.41Å
384S98.5Very high96.6Very high0 Ų040 Ų400%021%0.21CC..Hα-helixtrans-61.3-33.5178.559.60000112.6Q380 L381 V387 F388 L424 N427Q380-S384 WeakPolarHBondContact O-CB 3.42Å; Q380-S384 PolarHBondContact O-N 3.45Å; Q380-S384 PolarHBondContact O-OG 2.67Å; L381-S384 PolarHBondContact O-OG 3.31Å; S384-V387 PolarHBondContact O-N 3.49Å; S384-F388 PolarHBondContact O-N 3.41Å; S384-L424 VanDerWaalsContact OG-CD1 3.25Å; S384-L424 WeakPolarHBondContact OG-CD1 3.47Å; S384-N427 WeakPolarHBondContact OG-CB 3.21Å; S384-N427 PolarHBondContact OG-ND2 2.85Å; S384-N427 VanDerWaalsContact OG-ND2 3.07Å
385A97.8Very high96.5Very high14 Ų1438.5 Ų38.512%0.11620%0.199CC..Hα-helixtrans-66.9-42.7173.500000112F349 L381 A382 A383 F388 N389 N427F349-A385 HydrophobicContact CD2-CB 3.7Å; F349-A385 HydrophobicContact CE2-CB 3.85Å; L381-A385 PolarHBondContact O-N 3.35Å; A382-A385 PolarHBondContact O-N 3.34Å; A383-A385 PolarHBondContact O-N 2.96Å; A385-F388 PolarHBondContact O-N 2.85Å; A385-N389 PolarHBondContact O-N 3.17Å; A385-N427 PolarHBondContact N-ND2 3.41Å
386C98.2Very high96.3Very high0 Ų032.5 Ų32.50%017%0.17CC..Hα-helixtrans-63-43.7173.6-65.40000111.5L345 V366 A382 A383 F388 N389 L390L345-C386 PolarHBondContact O-SG 2.86Å; L345-C386 VanDerWaalsContact O-SG 3.34Å; V366-C386 HydrophobicContact CG1-CB 4.19Å; V366-C386 HydrophobicContact CG2-CB 4.06Å; A382-C386 PolarHBondContact O-N 3.33Å; A382-C386 VanDerWaalsContact O-N 3.1Å; A382-C386 PolarHBondContact O-SG 3.48Å; A383-C386 WeakPolarHBondContact O-CB 3.36Å; A383-C386 PolarHBondContact O-N 3.2Å; A383-C386 VanDerWaalsContact O-N 3.1Å; C386-F388 PolarHBondContact O-N 3.05Å; C386-N389 PolarHBondContact O-N 2.9Å; C386-L390 HydrophobicContact CB-CD1 4.46Å; C386-L390 WeakPolarHBondContact O-CB 3.39Å; C386-L390 WeakPolarHBondContact O-CD1 3.4Å; C386-L390 WeakPolarHBondContact O-CG 3.19Å; C386-L390 PolarHBondContact O-N 2.68Å
387V98Very high96Very high0 Ų033.1 Ų33.10%018%0.182CC..Hα-helixtrans-54.7-52.5176.4165.30000110.4L363 V366 M370 A383 S384 N389 L390 T391 V407 L411L363-V387 HydrophobicContact CD1-CG2 4.05Å; V366-V387 HydrophobicContact CG1-CG2 3.8Å; M370-V387 HydrophobicContact SD-CG2 3.88Å; A383-V387 WeakPolarHBondContact O-CG2 3.48Å; A383-V387 PolarHBondContact O-N 3.41Å; S384-V387 PolarHBondContact O-N 3.49Å; V387-N389 VanDerWaalsContact C-N 3.3Å; V387-N389 PolarHBondContact O-N 2.93Å; V387-L390 CarbonylContact O-C 3.49Å; V387-L390 PolarHBondContact O-N 3.4Å; V387-T391 HydrophobicContact CG1-CG2 4.41Å; V387-T391 PolarHBondContact O-N 3.42Å; V387-T391 PolarHBondContact O-OG1 3.3Å; V387-V407 HydrophobicContact CG1-CG1 3.38Å; V387-V407 HydrophobicContact CG2-CG1 4.29Å; V387-L411 HydrophobicContact CG1-CD1 4.04Å; V387-L411 HydrophobicContact CG1-CD2 4.3Å; V387-L411 HydrophobicContact CG1-CG 4.49Å
388F96.5Very high95.6Very high61 Ų6133.4 Ų33.427%0.26820%0.195SC..Hα-helixtrans-54.2-47.4179.3169.6-114.5000112S384 A385 C386 L390 T391 K392 L430 S431S384-F388 PolarHBondContact O-N 3.41Å; A385-F388 PolarHBondContact O-N 2.85Å; C386-F388 PolarHBondContact O-N 3.05Å; F388-L390 VanDerWaalsContact C-N 3.31Å; F388-L390 PolarHBondContact O-N 2.99Å; F388-T391 PolarHBondContact O-N 2.91Å; F388-K392 PolarHBondContact O-N 2.82Å; F388-K392 VanDerWaalsContact O-N 3.15Å; F388-L430 HydrophobicContact CD2-CB 3.62Å; F388-L430 HydrophobicContact CE1-CD1 4.44Å; F388-L430 HydrophobicContact CE2-CB 3.74Å; F388-L430 HydrophobicContact CE2-CD2 4.17Å; F388-L430 HydrophobicContact CE2-CG 4.37Å; F388-L430 HydrophobicContact CG-CB 4.22Å; F388-L430 HydrophobicContact CZ-CB 4.42Å; F388-L430 HydrophobicContact CZ-CD1 4.39Å; F388-L430 HydrophobicContact CZ-CD2 4.28Å; F388-S431 WeakPolarHBondContact CA-OG 3.43Å
389N96.1Very high95.4Very high8 Ų830.7 Ų30.74%0.04318%0.177CC..Hα-helixtrans-63.9-36.1178.2-73.7-14.3000112.6F349 T352 A385 C386 V387 L395F349-N389 VanDerWaalsContact CD2-ND2 3.33Å; F349-N389 WeakPolarHBondContact CD2-ND2 3.44Å; F349-N389 WeakPolarHBondContact CE2-ND2 3.22Å; T352-N389 WeakPolarHBondContact OG1-CB 3.36Å; T352-N389 PolarHBondContact OG1-ND2 3Å; T352-N389 VanDerWaalsContact OG1-ND2 3.09Å; A385-N389 PolarHBondContact O-N 3.17Å; C386-N389 PolarHBondContact O-N 2.9Å; V387-N389 VanDerWaalsContact C-N 3.3Å; V387-N389 PolarHBondContact O-N 2.93Å; N389-L395 VanDerWaalsContact O-CD1 3.27Å; N389-L395 WeakPolarHBondContact O-CD1 3.38Å
390L96.4Very high95.2Very high3 Ų331.5 Ų31.52%0.01618%0.182CC..Hα-helixtrans-79.9-15.5-179-70.7167.6000113.6T352 M355 I362 L363 V366 C386 V387 F388 L395T352-L390 HydrophobicContact CG2-CD1 4.3Å; T352-L390 HydrophobicContact CG2-CD2 3.79Å; T352-L390 HydrophobicContact CG2-CG 3.91Å; M355-L390 HydrophobicContact CE-CD2 4.35Å; M355-L390 HydrophobicContact SD-CD2 3.54Å; M355-L390 VanDerWaalsContact SD-CD2 3.54Å; I362-L390 HydrophobicContact CG2-CD1 4.06Å; I362-L390 HydrophobicContact CG2-CD2 4.3Å; L363-L390 HydrophobicContact CB-CD1 4.24Å; L363-L390 HydrophobicContact CD1-CB 4.27Å; L363-L390 HydrophobicContact CD1-CD1 4.04Å; V366-L390 HydrophobicContact CG2-CD1 4.04Å; C386-L390 HydrophobicContact CB-CD1 4.46Å; C386-L390 WeakPolarHBondContact O-CB 3.39Å; C386-L390 WeakPolarHBondContact O-CD1 3.4Å; C386-L390 WeakPolarHBondContact O-CG 3.19Å; C386-L390 PolarHBondContact O-N 2.68Å; V387-L390 CarbonylContact O-C 3.49Å; V387-L390 PolarHBondContact O-N 3.4Å; F388-L390 VanDerWaalsContact C-N 3.31Å; F388-L390 PolarHBondContact O-N 2.99Å; L390-L395 WeakPolarHBondContact O-CB 3.43Å
391T95.7Very high94.8Very high3 Ų333.6 Ų33.62%0.01820%0.195CC..THydrogen-bonded Turntrans-12421.2-177.368.80000113.4L363 V387 F388 A396 L404L363-T391 HydrophobicContact CD2-CG2 3.96Å; V387-T391 HydrophobicContact CG1-CG2 4.41Å; V387-T391 PolarHBondContact O-N 3.42Å; V387-T391 PolarHBondContact O-OG1 3.3Å; F388-T391 PolarHBondContact O-N 2.91Å; T391-A396 WeakPolarHBondContact O-CB 3.3Å; T391-L404 HydrophobicContact CG2-CD2 3.8Å
392K92.3Very high94.4Very high61 Ų6134 Ų3427%0.26519%0.193SC..SBendtrans-77.8137.617467.2-175.8178.3-179.90111.1H353 F388 D394 L395H353-K392 PolarHBondContact O-NZ 2.95Å; F388-K392 PolarHBondContact O-N 2.82Å; F388-K392 VanDerWaalsContact O-N 3.15Å; K392-D394 PolarHBondContact O-N 3.17Å; K392-L395 HydrophobicContact CG-CD1 4.01Å; K392-L395 VanDerWaalsContact O-CB 3.32Å; K392-L395 WeakPolarHBondContact O-CB 3.48Å; K392-L395 PolarHBondContact O-N 3.45Å
393Q88.1Confident94.2Very high162 Ų16233.2 Ų33.276%0.75719%0.187SC*.THydrogen-bonded Turntrans48.4-125.6168.5-59.9174-27.900112.6L395 A396Q393-L395 PolarHBondContact O-N 3.2Å; Q393-A396 PolarHBondContact O-N 3.12Å; Q393-A396 VanDerWaalsContact O-N 3.15Å
394D90.8Very high94Very high138 Ų13833.2 Ų33.274%0.73819%0.187SC*.Hα-helixtrans-63.9-22.3-175.7-60.5-31.3000113.6K392 A396 A397 G398K392-D394 PolarHBondContact O-N 3.17Å; D394-A396 VanDerWaalsContact C-N 3.3Å; D394-A396 PolarHBondContact O-N 2.93Å; D394-A397 WeakPolarHBondContact O-CB 3.3Å; D394-A397 PolarHBondContact O-N 3.15Å; D394-A397 VanDerWaalsContact O-N 3.14Å; D394-G398 PolarHBondContact O-N 3.42Å
395L93.9Very high93.8Very high10 Ų1034.1 Ų34.15%0.05219%0.194CC..Hα-helixtrans-64.2-37.5176.2-60.8179.7000111.5E356 N389 L390 K392 Q393 A397 G398 M399E356-L395 WeakPolarHBondContact O-CD2 3.32Å; N389-L395 VanDerWaalsContact O-CD1 3.27Å; N389-L395 WeakPolarHBondContact O-CD1 3.38Å; L390-L395 WeakPolarHBondContact O-CB 3.43Å; K392-L395 HydrophobicContact CG-CD1 4.01Å; K392-L395 VanDerWaalsContact O-CB 3.32Å; K392-L395 WeakPolarHBondContact O-CB 3.48Å; K392-L395 PolarHBondContact O-N 3.45Å; Q393-L395 PolarHBondContact O-N 3.2Å; L395-A397 VanDerWaalsContact C-N 3.32Å; L395-G398 PolarHBondContact O-N 2.87Å; L395-M399 WeakPolarHBondContact O-CG 3.31Å; L395-M399 PolarHBondContact O-N 2.98Å
396A92.9Very high93.6Very high0 Ų035.4 Ų35.40%020%0.199CC..Hα-helixtrans-67-34.6174.800000111.9T391 Q393 D394 G398 M399 R436T391-A396 WeakPolarHBondContact O-CB 3.3Å; Q393-A396 PolarHBondContact O-N 3.12Å; Q393-A396 VanDerWaalsContact O-N 3.15Å; D394-A396 VanDerWaalsContact C-N 3.3Å; D394-A396 PolarHBondContact O-N 2.93Å; A396-G398 VanDerWaalsContact C-N 3.28Å; A396-G398 PolarHBondContact O-N 2.85Å; A396-M399 PolarHBondContact O-N 3.27Å; A396-M399 VanDerWaalsContact O-N 3.14Å; A396-R436 HydrophobicContact CB-CB 4.07Å; A396-R436 HydrophobicContact CB-CG 4.34Å
397A91.2Very high93.5Very high64 Ų6435.4 Ų35.453%0.52920%0.199SC..Hα-helixtrans-63.7-36.1177.600000111.9D394 L395D394-A397 WeakPolarHBondContact O-CB 3.3Å; D394-A397 PolarHBondContact O-N 3.15Å; D394-A397 VanDerWaalsContact O-N 3.14Å; L395-A397 VanDerWaalsContact C-N 3.32Å
398G91.6Very high93.5Very high46 Ų4635.4 Ų35.447%0.47420%0.199SC..Hα-helixtrans-77.9-14.1174.300000114.9T358 D394 L395 A396T358-G398 VanDerWaalsContact CG2-C 3.43Å; T358-G398 WeakPolarHBondContact CG2-O 3.44Å; D394-G398 PolarHBondContact O-N 3.42Å; L395-G398 PolarHBondContact O-N 2.87Å; A396-G398 VanDerWaalsContact C-N 3.28Å; A396-G398 PolarHBondContact O-N 2.85Å
399M93.8Very high93.5Very high5 Ų537 Ų373%0.02521%0.207CC..SBendtrans-76.4140.8-175.5-87.8-62.4147.200113.1T358 K359 P360 L363 L395 A396 V401 L403 L404T358-M399 HydrophobicContact CG2-CE 3.34Å; T358-M399 HydrophobicContact CG2-CG 4.26Å; T358-M399 HydrophobicContact CG2-SD 4.17Å; K359-M399 VanDerWaalsContact N-CE 3.28Å; K359-M399 WeakPolarHBondContact O-CE 3.22Å; P360-M399 HydrophobicContact CB-CE 4.22Å; P360-M399 HydrophobicContact CB-SD 4.01Å; P360-M399 HydrophobicContact CG-CE 3.89Å; P360-M399 HydrophobicContact CG-SD 3.97Å; L363-M399 HydrophobicContact CB-SD 4.49Å; L363-M399 HydrophobicContact CD2-CE 4.4Å; L363-M399 HydrophobicContact CD2-CG 4.05Å; L363-M399 HydrophobicContact CD2-SD 3.66Å; L395-M399 WeakPolarHBondContact O-CG 3.31Å; L395-M399 PolarHBondContact O-N 2.98Å; A396-M399 PolarHBondContact O-N 3.27Å; A396-M399 VanDerWaalsContact O-N 3.14Å; M399-V401 PolarHBondContact O-N 3.3Å; M399-L403 HydrophobicContact SD-CD2 4.12Å; M399-L404 HydrophobicContact CB-CD1 3.93Å; M399-L404 HydrophobicContact CB-CD2 3.74Å; M399-L404 HydrophobicContact CB-CG 3.74Å; M399-L404 HydrophobicContact CG-CD2 4.23Å
400P93.1Very high93.6Very high17 Ų1737.5 Ų37.511%0.1121%0.21CC..  trans-57.6130.1171.3-2333.4000111.3E12 P360 R402 L403 L404E12-P400 HydrophobicContact CB-CB 3.73Å; E12-P400 HydrophobicContact CB-CG 3.81Å; P360-P400 HydrophobicContact CB-CG 4.07Å; P360-P400 HydrophobicContact CG-CG 4.2Å; P400-R402 PolarHBondContact O-N 3.3Å; P400-R402 VanDerWaalsContact O-N 3.14Å; P400-L403 HydrophobicContact CB-CB 4.28Å; P400-L403 PolarHBondContact O-N 3.06Å; P400-L403 VanDerWaalsContact O-N 3.07Å; P400-L404 PolarHBondContact O-N 3.2Å
401V91.5Very high93.7Very high47 Ų4737.4 Ų37.429%0.28521%0.209SC..Hα-helixtrans-57.8-32.8-176.5173.70000112.2M399 L404 A405 V441 P442M399-V401 PolarHBondContact O-N 3.3Å; V401-L404 PolarHBondContact O-N 3.42Å; V401-A405 WeakPolarHBondContact O-CB 3.23Å; V401-A405 PolarHBondContact O-N 3Å; V401-V441 HydrophobicContact CG1-CG2 4.45Å; V401-P442 VanDerWaalsContact CG1-CD 3.44Å; V401-P442 HydrophobicContact CG1-CG 4.34Å
402R88.9Confident93.8Very high58 Ų5837.4 Ų37.422%0.21921%0.209CC..Hα-helixtrans-66.2-45.7177.5-71.8162161.9-111.6-29.8112.3E12 S14 P15 Y16 P400 L404 A405 D406E12-R402 WeakPolarHBondContact O-CD 3.33Å; S14-R402 WeakPolarHBondContact O-CD 3.45Å; S14-R402 PolarHBondContact O-NE 2.9Å; S14-R402 PolarHBondContact O-NH1 3.37Å; P15-R402 VanDerWaalsContact CA-NH2 3.34Å; Y16-R402 VanDerWaalsContact CD1-NH1 3.29Å; Y16-R402 VanDerWaalsContact CG-NH1 3.29Å; P400-R402 PolarHBondContact O-N 3.3Å; P400-R402 VanDerWaalsContact O-N 3.14Å; R402-L404 VanDerWaalsContact C-N 3.29Å; R402-L404 PolarHBondContact O-N 3.15Å; R402-A405 WeakPolarHBondContact O-CB 3.48Å; R402-A405 PolarHBondContact O-N 3.15Å; R402-A405 VanDerWaalsContact O-N 3.14Å; R402-D406 PolarHBondContact O-N 3.34Å
403L93.7Very high94Very high1 Ų137.2 Ų37.21%0.00521%0.208CC..Hα-helixtrans-64.7-38.6176.9-172.257.7000110.7P360 L363 K364 V367 M399 P400 D406 V407P360-L403 HydrophobicContact CB-CD2 4.15Å; P360-L403 WeakPolarHBondContact O-CD2 3.47Å; L363-L403 HydrophobicContact CB-CD2 3.9Å; L363-L403 HydrophobicContact CD2-CD2 3.82Å; L363-L403 HydrophobicContact CD2-CG 3.89Å; L363-L403 HydrophobicContact CG-CD2 3.89Å; L363-L403 HydrophobicContact CG-CG 4.03Å; K364-L403 HydrophobicContact CB-CD1 4.4Å; V367-L403 HydrophobicContact CB-CD1 4.44Å; V367-L403 HydrophobicContact CG2-CD1 3.93Å; M399-L403 HydrophobicContact SD-CD2 4.12Å; P400-L403 HydrophobicContact CB-CB 4.28Å; P400-L403 PolarHBondContact O-N 3.06Å; P400-L403 VanDerWaalsContact O-N 3.07Å; L403-D406 PolarHBondContact O-N 3.48Å; L403-V407 WeakPolarHBondContact O-CB 3.43Å; L403-V407 VanDerWaalsContact O-CG2 3.22Å; L403-V407 WeakPolarHBondContact O-CG2 3.47Å; L403-V407 PolarHBondContact O-N 3.1Å
404L95.3Very high94.5Very high0 Ų029.5 Ų29.50%017%0.172CC..Hα-helixtrans-64.9-36.5172.4-66178.1000112.9T391 M399 P400 V401 R402 V407 T408 R436 V441T391-L404 HydrophobicContact CG2-CD2 3.8Å; M399-L404 HydrophobicContact CB-CD1 3.93Å; M399-L404 HydrophobicContact CB-CD2 3.74Å; M399-L404 HydrophobicContact CB-CG 3.74Å; M399-L404 HydrophobicContact CG-CD2 4.23Å; P400-L404 PolarHBondContact O-N 3.2Å; V401-L404 PolarHBondContact O-N 3.42Å; R402-L404 VanDerWaalsContact C-N 3.29Å; R402-L404 PolarHBondContact O-N 3.15Å; L404-V407 PolarHBondContact O-N 3.03Å; L404-T408 VanDerWaalsContact O-CB 3.3Å; L404-T408 WeakPolarHBondContact O-CB 3.14Å; L404-T408 PolarHBondContact O-N 3.3Å; L404-T408 PolarHBondContact O-OG1 3.26Å; L404-R436 HydrophobicContact CD1-CG 3.97Å; L404-V441 HydrophobicContact CB-CG1 4.11Å; L404-V441 HydrophobicContact CB-CG2 3.61Å; L404-V441 HydrophobicContact CD1-CG2 3.78Å; L404-V441 HydrophobicContact CG-CG2 4.37Å
405A94Very high94.8Very high18 Ų1823.2 Ų23.215%0.14914%0.138CC..Hα-helixtrans-64.4-45.3175.600000111.3V401 R402 T408 H409 V441 P442V401-A405 WeakPolarHBondContact O-CB 3.23Å; V401-A405 PolarHBondContact O-N 3Å; R402-A405 WeakPolarHBondContact O-CB 3.48Å; R402-A405 PolarHBondContact O-N 3.15Å; R402-A405 VanDerWaalsContact O-N 3.14Å; A405-T408 PolarHBondContact O-N 2.98Å; A405-H409 WeakPolarHBondContact O-CB 3.21Å; A405-H409 PolarHBondContact O-N 3.43Å; A405-V441 VanDerWaalsContact CA-CG1 3.48Å; A405-V441 HydrophobicContact CB-CG1 3.81Å; A405-P442 WeakPolarHBondContact CB-O 3.33Å
406D93.7Very high94.9Very high42 Ų4227.1 Ų27.123%0.22516%0.157CC..Hα-helixtrans-59.4-47.7174.5-87.47.6000111.6V367 R371 R402 L403 T408 H409 L410V367-D406 HydrophobicContact CG1-CB 4.38Å; R371-D406 IonicContact CZ-OD2 3.29Å; R371-D406 IonicContact NH2-OD2 2.69Å; R371-D406 PolarHBondContact NH2-OD2 2.84Å; R402-D406 PolarHBondContact O-N 3.34Å; L403-D406 PolarHBondContact O-N 3.48Å; D406-T408 PolarHBondContact O-N 3.26Å; D406-H409 PolarHBondContact O-N 3.06Å; D406-L410 VanDerWaalsContact O-CG 3.31Å; D406-L410 WeakPolarHBondContact O-CG 3.4Å; D406-L410 PolarHBondContact O-N 3.48Å
407V96.9Very high95.1Very high0 Ų030.3 Ų30.30%017%0.171CC..Hα-helixtrans-57.5-49.7175.4165.70000110.7L363 V367 V387 L403 L404 H409 L410 L411L363-V407 HydrophobicContact CD1-CG2 3.85Å; L363-V407 HydrophobicContact CD2-CG2 4.1Å; L363-V407 HydrophobicContact CG-CG2 4.03Å; V367-V407 HydrophobicContact CG2-CG2 3.33Å; V387-V407 HydrophobicContact CG1-CG1 3.38Å; V387-V407 HydrophobicContact CG2-CG1 4.29Å; L403-V407 WeakPolarHBondContact O-CB 3.43Å; L403-V407 VanDerWaalsContact O-CG2 3.22Å; L403-V407 WeakPolarHBondContact O-CG2 3.47Å; L403-V407 PolarHBondContact O-N 3.1Å; L404-V407 PolarHBondContact O-N 3.03Å; V407-H409 VanDerWaalsContact C-N 3.33Å; V407-H409 PolarHBondContact O-N 3.1Å; V407-L410 PolarHBondContact O-N 3.42Å; V407-L410 VanDerWaalsContact O-N 3.17Å; V407-L411 HydrophobicContact CG1-CD1 3.81Å; V407-L411 HydrophobicContact CG1-CG 4.18Å; V407-L411 VanDerWaalsContact O-CG 3.3Å; V407-L411 WeakPolarHBondContact O-CG 3.14Å; V407-L411 PolarHBondContact O-N 3.39Å
408T97Very high95.3Very high0 Ų028.1 Ų28.10%015%0.15CC..Hα-helixtrans-60.2-45.7-178-58.10000110.6L404 A405 D406 L410 L411 L412 L432 I437 F443L404-T408 VanDerWaalsContact O-CB 3.3Å; L404-T408 WeakPolarHBondContact O-CB 3.14Å; L404-T408 PolarHBondContact O-N 3.3Å; L404-T408 PolarHBondContact O-OG1 3.26Å; A405-T408 PolarHBondContact O-N 2.98Å; D406-T408 PolarHBondContact O-N 3.26Å; T408-L410 PolarHBondContact O-N 3.26Å; T408-L411 PolarHBondContact O-N 3.07Å; T408-L412 HydrophobicContact CG2-CD1 4.43Å; T408-L412 VanDerWaalsContact O-CG 3.3Å; T408-L412 WeakPolarHBondContact O-CG 3.49Å; T408-L412 PolarHBondContact O-N 2.86Å; T408-L412 VanDerWaalsContact O-N 3.08Å; T408-L432 HydrophobicContact CG2-CD2 3.76Å; T408-I437 HydrophobicContact CG2-CG2 4.1Å; T408-I437 WeakPolarHBondContact OG1-CG2 3.27Å; T408-F443 HydrophobicContact CG2-CB 3.83Å; T408-F443 HydrophobicContact CG2-CD1 3.96Å; T408-F443 HydrophobicContact CG2-CD2 3.61Å; T408-F443 HydrophobicContact CG2-CE1 4.47Å; T408-F443 HydrophobicContact CG2-CE2 4.12Å; T408-F443 HydrophobicContact CG2-CG 3.52Å
409H96.2Very high95.4Very high93 Ų9329 Ų2943%0.43115%0.147SC..Hα-helixtrans-58.8-45.7175.4178.469.2000112.3A405 D406 V407 L412 K413A405-H409 WeakPolarHBondContact O-CB 3.21Å; A405-H409 PolarHBondContact O-N 3.43Å; D406-H409 PolarHBondContact O-N 3.06Å; V407-H409 VanDerWaalsContact C-N 3.33Å; V407-H409 PolarHBondContact O-N 3.1Å; H409-L412 PolarHBondContact O-N 3.42Å; H409-K413 PolarHBondContact O-N 2.97Å
410L98Very high95.3Very high20 Ų2035.1 Ų35.111%0.10518%0.18CC..Hα-helixtrans-69.1-35.2-179.6-69.7170.6000113V367 M370 R371 D406 V407 T408 K413 A414V367-L410 HydrophobicContact CB-CD1 4.4Å; V367-L410 HydrophobicContact CG1-CD1 3.74Å; M370-L410 HydrophobicContact CB-CB 4.48Å; M370-L410 HydrophobicContact CB-CD1 4.06Å; M370-L410 HydrophobicContact CE-CB 3.94Å; M370-L410 HydrophobicContact SD-CB 4.45Å; R371-L410 HydrophobicContact CB-CD1 4.28Å; R371-L410 HydrophobicContact CB-CD2 4.27Å; D406-L410 VanDerWaalsContact O-CG 3.31Å; D406-L410 WeakPolarHBondContact O-CG 3.4Å; D406-L410 PolarHBondContact O-N 3.48Å; V407-L410 PolarHBondContact O-N 3.42Å; V407-L410 VanDerWaalsContact O-N 3.17Å; T408-L410 PolarHBondContact O-N 3.26Å; L410-K413 PolarHBondContact O-N 3.03Å; L410-A414 WeakPolarHBondContact O-CB 3.25Å; L410-A414 PolarHBondContact O-N 2.76Å
411L98.2Very high95.4Very high0 Ų038 Ų380%019%0.191CC..Hα-helixtrans-63.6-42.4173.2-70.9173.3000111.4M370 V387 V407 T408 A414 M415 C428 S431M370-L411 HydrophobicContact CE-CD2 3.99Å; M370-L411 HydrophobicContact CE-CG 4.49Å; V387-L411 HydrophobicContact CG1-CD1 4.04Å; V387-L411 HydrophobicContact CG1-CD2 4.3Å; V387-L411 HydrophobicContact CG1-CG 4.49Å; V407-L411 HydrophobicContact CG1-CD1 3.81Å; V407-L411 HydrophobicContact CG1-CG 4.18Å; V407-L411 VanDerWaalsContact O-CG 3.3Å; V407-L411 WeakPolarHBondContact O-CG 3.14Å; V407-L411 PolarHBondContact O-N 3.39Å; T408-L411 PolarHBondContact O-N 3.07Å; L411-A414 WeakPolarHBondContact O-CB 3.42Å; L411-A414 PolarHBondContact O-N 2.92Å; L411-M415 WeakPolarHBondContact O-CG 3.43Å; L411-M415 PolarHBondContact O-N 3.15Å; L411-C428 HydrophobicContact CB-CB 4.45Å; L411-C428 HydrophobicContact CD2-CB 4.42Å; L411-S431 VanDerWaalsContact CD1-CB 3.5Å
412L97.7Very high95.4Very high3 Ų342 Ų422%0.01621%0.207CC..Hα-helixtrans-63.2-41.8175.3-66.5174.3000111.4T408 H409 A414 M415 E416 L432 F443 A448 L451T408-L412 HydrophobicContact CG2-CD1 4.43Å; T408-L412 VanDerWaalsContact O-CG 3.3Å; T408-L412 WeakPolarHBondContact O-CG 3.49Å; T408-L412 PolarHBondContact O-N 2.86Å; T408-L412 VanDerWaalsContact O-N 3.08Å; H409-L412 PolarHBondContact O-N 3.42Å; L412-A414 PolarHBondContact O-N 3.04Å; L412-M415 HydrophobicContact CD2-SD 4.33Å; L412-M415 WeakPolarHBondContact O-CB 3.45Å; L412-M415 PolarHBondContact O-N 2.86Å; L412-E416 PolarHBondContact O-N 3.2Å; L412-L432 HydrophobicContact CD2-CD1 3.91Å; L412-L432 HydrophobicContact CD2-CD2 4.43Å; L412-F443 HydrophobicContact CD1-CD2 4.32Å; L412-A448 HydrophobicContact CD1-CB 3.82Å; L412-A448 HydrophobicContact CD2-CB 3.8Å; L412-A448 HydrophobicContact CG-CB 4.47Å; L412-L451 HydrophobicContact CB-CD1 3.92Å; L412-L451 HydrophobicContact CD2-CD1 4Å; L412-L451 HydrophobicContact CG-CD1 4.5Å
413K97.1Very high95.7Very high57 Ų5744.2 Ų44.225%0.24822%0.22CC..Hα-helixtrans-62.4-39.9172.3-71.6-58.1-178.9-152.90112.9H409 L410 M415 E416 H417 E447H409-K413 PolarHBondContact O-N 2.97Å; L410-K413 PolarHBondContact O-N 3.03Å; K413-M415 VanDerWaalsContact C-N 3.32Å; K413-M415 PolarHBondContact O-N 3.47Å; K413-E416 VanDerWaalsContact CD-OE2 3.28Å; K413-E416 WeakPolarHBondContact CD-OE2 3.28Å; K413-E416 IonicContact NZ-OE2 3.94Å; K413-E416 PolarHBondContact NZ-OE2 3.39Å; K413-E416 PolarHBondContact O-N 3.43Å; K413-H417 VanDerWaalsContact O-CG 3.22Å; K413-H417 PolarHBondContact O-N 3.36Å; K413-H417 PolarHBondContact O-ND1 3.23Å; K413-H417 VanDerWaalsContact O-ND1 3.1Å; K413-E447 IonicContact NZ-OE1 3.79Å; K413-E447 PolarHBondContact NZ-OE1 3.33Å
414A98.2Very high95.8Very high1 Ų144.1 Ų44.11%0.00822%0.22CC..Hα-helixtrans-63.4-3917400000111.7L410 L411 L412 F418 L424L410-A414 WeakPolarHBondContact O-CB 3.25Å; L410-A414 PolarHBondContact O-N 2.76Å; L411-A414 WeakPolarHBondContact O-CB 3.42Å; L411-A414 PolarHBondContact O-N 2.92Å; L412-A414 PolarHBondContact O-N 3.04Å; A414-F418 WeakPolarHBondContact O-CB 3.43Å; A414-F418 WeakPolarHBondContact O-CD2 3.38Å; A414-F418 PolarHBondContact O-N 3.38Å; A414-F418 VanDerWaalsContact O-N 3.12Å; A414-L424 HydrophobicContact CB-CD1 4.35Å; A414-L424 HydrophobicContact CB-CD2 4.41Å
415M96.9Very high95.8Very high5 Ų544.3 Ų44.33%0.02522%0.221CC..Hα-helixtrans-62.6-43.2174.3-70176.768.700112L411 L412 K413 Q425 C428 L429 L432 V452L411-M415 WeakPolarHBondContact O-CG 3.43Å; L411-M415 PolarHBondContact O-N 3.15Å; L412-M415 HydrophobicContact CD2-SD 4.33Å; L412-M415 WeakPolarHBondContact O-CB 3.45Å; L412-M415 PolarHBondContact O-N 2.86Å; K413-M415 VanDerWaalsContact C-N 3.32Å; K413-M415 PolarHBondContact O-N 3.47Å; M415-Q425 PolarHBondContact O-NE2 3.3Å; M415-C428 HydrophobicContact CG-CB 3.48Å; M415-C428 VanDerWaalsContact CG-CB 3.48Å; M415-C428 HydrophobicContact SD-CB 3.69Å; M415-L429 HydrophobicContact CE-CD2 3.96Å; M415-L429 HydrophobicContact CE-CG 4.44Å; M415-L432 HydrophobicContact SD-CD1 3.71Å; M415-V452 HydrophobicContact CE-CG2 4.23Å
416E96.2Very high95.9Very high93 Ų9347.3 Ų47.344%0.43523%0.23SC..Hα-helixtrans-64.4-45.5178.3-174.9-175.7-174.400112.3L412 K413 F418 P419 L451L412-E416 PolarHBondContact O-N 3.2Å; K413-E416 VanDerWaalsContact CD-OE2 3.28Å; K413-E416 WeakPolarHBondContact CD-OE2 3.28Å; K413-E416 IonicContact NZ-OE2 3.94Å; K413-E416 PolarHBondContact NZ-OE2 3.39Å; K413-E416 PolarHBondContact O-N 3.43Å; E416-F418 VanDerWaalsContact C-N 3.34Å; E416-F418 PolarHBondContact O-N 2.87Å; E416-P419 WeakPolarHBondContact O-CD 3.5Å; E416-L451 HydrophobicContact CB-CD2 4.15Å
417H96.9Very high96Very high66 Ų6645.9 Ų45.931%0.30622%0.222SC..Hα-helixtrans-72.3-26.8-178.6-63.5144.5000113.4P374 M375 K413 P419P374-H417 PolarHBondContact O-ND1 2.9Å; M375-H417 HydrophobicContact CE-CB 4.45Å; M375-H417 HydrophobicContact SD-CB 4.08Å; M375-H417 VanDerWaalsContact SD-CG 3.59Å; K413-H417 VanDerWaalsContact O-CG 3.22Å; K413-H417 PolarHBondContact O-N 3.36Å; K413-H417 PolarHBondContact O-ND1 3.23Å; K413-H417 VanDerWaalsContact O-ND1 3.1Å; H417-P419 VanDerWaalsContact C-CD 3.43Å
418F96.5Very high96Very high19 Ų1945.9 Ų45.98%0.08322%0.222CC..  trans-129.955.2-171.2-62.2-68.7000113.2P374 L377 Q380 A414 E416 N420 H421 L424 Q425P374-F418 WeakPolarHBondContact O-CE2 3.36Å; L377-F418 HydrophobicContact CB-CD1 4.18Å; L377-F418 HydrophobicContact CB-CE1 3.65Å; L377-F418 HydrophobicContact CB-CZ 3.94Å; L377-F418 HydrophobicContact CD1-CD1 3.85Å; L377-F418 HydrophobicContact CD1-CE1 4.17Å; L377-F418 HydrophobicContact CD1-CG 4.03Å; L377-F418 HydrophobicContact CG-CE1 4.44Å; Q380-F418 HydrophobicContact CB-CE2 4.32Å; Q380-F418 HydrophobicContact CG-CE2 3.88Å; A414-F418 WeakPolarHBondContact O-CB 3.43Å; A414-F418 WeakPolarHBondContact O-CD2 3.38Å; A414-F418 PolarHBondContact O-N 3.38Å; A414-F418 VanDerWaalsContact O-N 3.12Å; E416-F418 VanDerWaalsContact C-N 3.34Å; E416-F418 PolarHBondContact O-N 2.87Å; F418-N420 PolarHBondContact O-N 3.37Å; F418-N420 VanDerWaalsContact O-N 3.13Å; F418-H421 HydrophobicContact CB-CB 4.24Å; F418-H421 AromaticContact CD1-CD2 3.63Å; F418-H421 PolarHBondContact O-N 3.13Å; F418-L424 HydrophobicContact CB-CD2 3.51Å; F418-L424 HydrophobicContact CD2-CD2 3.54Å; F418-L424 HydrophobicContact CE2-CD2 4.49Å; F418-L424 HydrophobicContact CG-CD2 3.73Å; F418-Q425 PolarHBondContact O-NE2 2.92Å
419P93.2Very high95.9Very high64 Ų6445.9 Ų45.942%0.41622%0.222SC..THydrogen-bonded Turntrans-61.3-29.2-171.624.9-34.8000113.4E416 H417E416-P419 WeakPolarHBondContact O-CD 3.5Å; H417-P419 VanDerWaalsContact C-CD 3.43Å
420N92.1Very high95.8Very high133 Ų13343.8 Ų43.871%0.71121%0.214SC*.THydrogen-bonded Turntrans-92.7-0.8-175.3-60-32.8000114F418 Q422F418-N420 PolarHBondContact O-N 3.37Å; F418-N420 VanDerWaalsContact O-N 3.13Å; N420-Q422 PolarHBondContact O-N 3.41Å
421H94.3Very high95.8Very high77 Ų7743 Ų4336%0.35621%0.21SC..  trans-94.589.9-176.5-71.8-70.1000111.7L377 F418 Q423 L424 Q425L377-H421 HydrophobicContact CD1-CB 4.1Å; L377-H421 WeakPolarHBondContact CD2-CE1 3.48Å; F418-H421 HydrophobicContact CB-CB 4.24Å; F418-H421 AromaticContact CD1-CD2 3.63Å; F418-H421 PolarHBondContact O-N 3.13Å; H421-Q423 PolarHBondContact O-N 3.08Å; H421-L424 HydrophobicContact CB-CB 4.13Å; H421-L424 WeakPolarHBondContact O-CB 3.43Å; H421-L424 PolarHBondContact O-N 3.03Å; H421-Q425 WeakPolarHBondContact O-CG 3.19Å; H421-Q425 PolarHBondContact O-N 3.1Å
422Q92.4Very high95.6Very high132 Ų13243 Ų4362%0.61721%0.211SC*.Hα-helixtrans-49.3-47.3-172.7-67.5-178-17.700114.6N420 L424 Q425 K426N420-Q422 PolarHBondContact O-N 3.41Å; Q422-L424 PolarHBondContact O-N 2.94Å; Q422-Q425 PolarHBondContact O-N 2.86Å; Q422-K426 WeakPolarHBondContact O-CB 3.3Å; Q422-K426 PolarHBondContact O-N 3.3Å
423Q94.9Very high95.4Very high104 Ų10444.8 Ų44.849%0.48622%0.223SC..Hα-helixtrans-66.5-37-178.6-174.259.143.200112.6L381 H421 K426 N427L381-Q423 HydrophobicContact CD2-CB 4.15Å; L381-Q423 HydrophobicContact CD2-CG 4.28Å; H421-Q423 PolarHBondContact O-N 3.08Å; Q423-K426 PolarHBondContact O-N 3.49Å; Q423-N427 PolarHBondContact NE2-OD1 3.09Å; Q423-N427 VanDerWaalsContact O-CG 3.26Å; Q423-N427 PolarHBondContact O-N 3.34Å; Q423-N427 PolarHBondContact O-OD1 3.21Å
424L96.7Very high95.3Very high0 Ų042.9 Ų42.90%022%0.217CC..Hα-helixtrans-67-47.2175.5178.854.1000110.4L377 Q380 L381 S384 A414 F418 H421 Q422 K426 N427 C428L377-L424 HydrophobicContact CD1-CD2 3.97Å; Q380-L424 HydrophobicContact CB-CD1 4.27Å; Q380-L424 HydrophobicContact CB-CD2 4.1Å; L381-L424 HydrophobicContact CD2-CB 3.63Å; L381-L424 HydrophobicContact CG-CB 4.36Å; S384-L424 VanDerWaalsContact OG-CD1 3.25Å; S384-L424 WeakPolarHBondContact OG-CD1 3.47Å; A414-L424 HydrophobicContact CB-CD1 4.35Å; A414-L424 HydrophobicContact CB-CD2 4.41Å; F418-L424 HydrophobicContact CB-CD2 3.51Å; F418-L424 HydrophobicContact CD2-CD2 3.54Å; F418-L424 HydrophobicContact CE2-CD2 4.49Å; F418-L424 HydrophobicContact CG-CD2 3.73Å; H421-L424 HydrophobicContact CB-CB 4.13Å; H421-L424 WeakPolarHBondContact O-CB 3.43Å; H421-L424 PolarHBondContact O-N 3.03Å; Q422-L424 PolarHBondContact O-N 2.94Å; L424-K426 PolarHBondContact O-N 3.2Å; L424-N427 PolarHBondContact O-N 2.99Å; L424-C428 PolarHBondContact O-N 3.35Å; L424-C428 PolarHBondContact O-SG 3.35Å; L424-C428 VanDerWaalsContact O-SG 3.34Å
425Q95.3Very high94.9Very high4 Ų448.3 Ų48.32%0.01925%0.245CC..Hα-helixtrans-55.7-42.9175-63.9-62.9-34.300111M415 F418 H421 Q422 C428 L429 M464M415-Q425 PolarHBondContact O-NE2 3.3Å; F418-Q425 PolarHBondContact O-NE2 2.92Å; H421-Q425 WeakPolarHBondContact O-CG 3.19Å; H421-Q425 PolarHBondContact O-N 3.1Å; Q422-Q425 PolarHBondContact O-N 2.86Å; Q425-C428 PolarHBondContact O-N 3.45Å; Q425-L429 WeakPolarHBondContact O-CB 3.44Å; Q425-L429 VanDerWaalsContact O-CG 3.3Å; Q425-L429 WeakPolarHBondContact O-CG 3.48Å; Q425-L429 PolarHBondContact O-N 2.9Å; Q425-M464 HydrophobicContact CB-CE 3.8Å
426K94.6Very high94.7Very high81 Ų8152 Ų5235%0.35226%0.259SS..Hα-helixtrans-61.3-47.2176.9-176.5178.7176.4179.10112.2Q422 Q423 L424 C428 L429 L430 M464 M467Q422-K426 WeakPolarHBondContact O-CB 3.3Å; Q422-K426 PolarHBondContact O-N 3.3Å; Q423-K426 PolarHBondContact O-N 3.49Å; L424-K426 PolarHBondContact O-N 3.2Å; K426-C428 VanDerWaalsContact C-N 3.33Å; K426-C428 PolarHBondContact O-N 3.42Å; K426-L429 PolarHBondContact O-N 3.48Å; K426-L430 HydrophobicContact CG-CD1 3.96Å; K426-L430 HydrophobicContact CG-CG 4.47Å; K426-L430 VanDerWaalsContact O-CB 3.31Å; K426-L430 WeakPolarHBondContact O-CB 3.44Å; K426-L430 VanDerWaalsContact O-CG 3.27Å; K426-L430 WeakPolarHBondContact O-CG 3.47Å; K426-L430 PolarHBondContact O-N 3.19Å; K426-M464 HydrophobicContact CB-CE 3.97Å; K426-M464 HydrophobicContact CB-CG 4.46Å; K426-M464 HydrophobicContact CB-SD 4Å; K426-M464 HydrophobicContact CG-CG 4.37Å; K426-M464 HydrophobicContact CG-SD 4.45Å; K426-M467 HydrophobicContact CG-CE 4.46Å
427N95.8Very high94.6Very high11 Ų1147.6 Ų47.66%0.05924%0.238CC..Hα-helixtrans-61.3-42177.4-66.8-6.9000111.7L381 S384 A385 Q423 L424 S431L381-N427 PolarHBondContact O-ND2 2.92Å; S384-N427 WeakPolarHBondContact OG-CB 3.21Å; S384-N427 PolarHBondContact OG-ND2 2.85Å; S384-N427 VanDerWaalsContact OG-ND2 3.07Å; A385-N427 PolarHBondContact N-ND2 3.41Å; Q423-N427 PolarHBondContact NE2-OD1 3.09Å; Q423-N427 VanDerWaalsContact O-CG 3.26Å; Q423-N427 PolarHBondContact O-N 3.34Å; Q423-N427 PolarHBondContact O-OD1 3.21Å; L424-N427 PolarHBondContact O-N 2.99Å; N427-S431 PolarHBondContact O-N 3.34Å; N427-S431 VanDerWaalsContact O-N 3.13Å; N427-S431 PolarHBondContact O-OG 2.87Å
428C97.1Very high94.4Very high0 Ų044.6 Ų44.60%023%0.225CC..Hα-helixtrans-64.3-49.6177.3-65.70000111.7L411 M415 L424 Q425 K426 L430 S431 L432L411-C428 HydrophobicContact CB-CB 4.45Å; L411-C428 HydrophobicContact CD2-CB 4.42Å; M415-C428 HydrophobicContact CG-CB 3.48Å; M415-C428 VanDerWaalsContact CG-CB 3.48Å; M415-C428 HydrophobicContact SD-CB 3.69Å; L424-C428 PolarHBondContact O-N 3.35Å; L424-C428 PolarHBondContact O-SG 3.35Å; L424-C428 VanDerWaalsContact O-SG 3.34Å; Q425-C428 PolarHBondContact O-N 3.45Å; K426-C428 VanDerWaalsContact C-N 3.33Å; K426-C428 PolarHBondContact O-N 3.42Å; C428-L430 PolarHBondContact O-N 3.41Å; C428-S431 PolarHBondContact O-N 3.27Å; C428-L432 WeakPolarHBondContact O-CB 3.42Å; C428-L432 VanDerWaalsContact O-CG 3.31Å; C428-L432 WeakPolarHBondContact O-CG 3.28Å; C428-L432 PolarHBondContact O-N 3.34Å
429L95.7Very high94.2Very high0 Ų047.2 Ų47.20%024%0.237CC..Hα-helixtrans-61.9-42178.3-69.2174.3000112.2M415 Q425 K426 S431 L432 C433 V452 W455 M464 M467 I471M415-L429 HydrophobicContact CE-CD2 3.96Å; M415-L429 HydrophobicContact CE-CG 4.44Å; Q425-L429 WeakPolarHBondContact O-CB 3.44Å; Q425-L429 VanDerWaalsContact O-CG 3.3Å; Q425-L429 WeakPolarHBondContact O-CG 3.48Å; Q425-L429 PolarHBondContact O-N 2.9Å; K426-L429 PolarHBondContact O-N 3.48Å; L429-S431 VanDerWaalsContact C-N 3.27Å; L429-S431 PolarHBondContact O-N 3Å; L429-L432 PolarHBondContact O-N 2.75Å; L429-C433 PolarHBondContact O-N 2.94Å; L429-C433 PolarHBondContact O-SG 2.79Å; L429-C433 VanDerWaalsContact O-SG 3.41Å; L429-V452 HydrophobicContact CD2-CG1 4.1Å; L429-V452 HydrophobicContact CD2-CG2 3.94Å; L429-W455 HydrophobicContact CD1-CD2 3.9Å; L429-W455 HydrophobicContact CD1-CE3 3.93Å; L429-W455 HydrophobicContact CD1-CZ2 4.47Å; L429-W455 HydrophobicContact CD1-CZ3 4.26Å; L429-M464 HydrophobicContact CD1-CB 4.34Å; L429-M464 HydrophobicContact CD1-CE 3.75Å; L429-M467 HydrophobicContact CB-CB 4.48Å; L429-M467 HydrophobicContact CB-CE 4.42Å; L429-I471 HydrophobicContact CB-CD1 4.49Å; L429-I471 HydrophobicContact CD2-CD1 3.8Å
430L94.8Very high93.9Very high50 Ų5048.3 Ų48.326%0.26224%0.24SC..Hα-helixtrans-58.5-40.1175.9-81.8168.3000112.2F388 K426 C428 M467F388-L430 HydrophobicContact CD2-CB 3.62Å; F388-L430 HydrophobicContact CE1-CD1 4.44Å; F388-L430 HydrophobicContact CE2-CB 3.74Å; F388-L430 HydrophobicContact CE2-CD2 4.17Å; F388-L430 HydrophobicContact CE2-CG 4.37Å; F388-L430 HydrophobicContact CG-CB 4.22Å; F388-L430 HydrophobicContact CZ-CB 4.42Å; F388-L430 HydrophobicContact CZ-CD1 4.39Å; F388-L430 HydrophobicContact CZ-CD2 4.28Å; K426-L430 HydrophobicContact CG-CD1 3.96Å; K426-L430 HydrophobicContact CG-CG 4.47Å; K426-L430 VanDerWaalsContact O-CB 3.31Å; K426-L430 WeakPolarHBondContact O-CB 3.44Å; K426-L430 VanDerWaalsContact O-CG 3.27Å; K426-L430 WeakPolarHBondContact O-CG 3.47Å; K426-L430 PolarHBondContact O-N 3.19Å; C428-L430 PolarHBondContact O-N 3.41Å; L430-M467 HydrophobicContact CB-SD 4.47Å; L430-M467 HydrophobicContact CD2-CE 4.27Å; L430-M467 HydrophobicContact CD2-SD 3.38Å; L430-M467 WeakPolarHBondContact CD2-SD 3.42Å; L430-M467 HydrophobicContact CG-CE 4.15Å; L430-M467 HydrophobicContact CG-SD 3.69Å
431S96.3Very high93.9Very high2 Ų242 Ų421%0.01421%0.206CC..Hα-helixtrans-72-44.4177.4-54.60000111.2F388 L411 N427 C428 L429 C433 S434 I437F388-S431 WeakPolarHBondContact CA-OG 3.43Å; L411-S431 VanDerWaalsContact CD1-CB 3.5Å; N427-S431 PolarHBondContact O-N 3.34Å; N427-S431 VanDerWaalsContact O-N 3.13Å; N427-S431 PolarHBondContact O-OG 2.87Å; C428-S431 PolarHBondContact O-N 3.27Å; L429-S431 VanDerWaalsContact C-N 3.27Å; L429-S431 PolarHBondContact O-N 3Å; S431-C433 VanDerWaalsContact C-N 3.26Å; S431-C433 PolarHBondContact O-N 3.25Å; S431-S434 VanDerWaalsContact O-CB 3.28Å; S431-S434 WeakPolarHBondContact O-CB 3.28Å; S431-S434 PolarHBondContact O-N 2.87Å; S431-S434 VanDerWaalsContact O-N 3.15Å; S431-I437 WeakPolarHBondContact O-CD1 3.27Å
432L95.9Very high93.5Very high2 Ų242.3 Ų42.31%0.0122%0.215CC..Hα-helixtrans-64.5-26.8178.6-72.1173000113.2T408 L412 M415 C428 L429 S434 L438 V452 I471T408-L432 HydrophobicContact CG2-CD2 3.76Å; L412-L432 HydrophobicContact CD2-CD1 3.91Å; L412-L432 HydrophobicContact CD2-CD2 4.43Å; M415-L432 HydrophobicContact SD-CD1 3.71Å; C428-L432 WeakPolarHBondContact O-CB 3.42Å; C428-L432 VanDerWaalsContact O-CG 3.31Å; C428-L432 WeakPolarHBondContact O-CG 3.28Å; C428-L432 PolarHBondContact O-N 3.34Å; L429-L432 PolarHBondContact O-N 2.75Å; L432-S434 PolarHBondContact O-N 3.39Å; L432-S434 VanDerWaalsContact O-N 3.16Å; L432-L438 WeakPolarHBondContact O-CD1 3.28Å; L432-L438 WeakPolarHBondContact O-CD2 3.31Å; L432-L438 WeakPolarHBondContact O-CG 3.49Å; L432-V452 HydrophobicContact CD1-CG2 4.49Å; L432-I471 HydrophobicContact CB-CD1 3.82Å
433C93.6Very high93.5Very high40 Ų4037.5 Ų37.527%0.2719%0.192SC..THydrogen-bonded Turntrans-67.2-4.5174-81.40000114.4L429 S431 D435 M467L429-C433 PolarHBondContact O-N 2.94Å; L429-C433 PolarHBondContact O-SG 2.79Å; L429-C433 VanDerWaalsContact O-SG 3.41Å; S431-C433 VanDerWaalsContact C-N 3.26Å; S431-C433 PolarHBondContact O-N 3.25Å; C433-D435 PolarHBondContact O-N 3.15Å; C433-M467 VanDerWaalsContact SG-CB 3.56Å
434S93.5Very high93.3Very high17 Ų1736.1 Ų36.112%0.11919%0.188CC..  trans-631231761770000111.2S431 L432 R436 I437 L438S431-S434 VanDerWaalsContact O-CB 3.28Å; S431-S434 WeakPolarHBondContact O-CB 3.28Å; S431-S434 PolarHBondContact O-N 2.87Å; S431-S434 VanDerWaalsContact O-N 3.15Å; L432-S434 PolarHBondContact O-N 3.39Å; L432-S434 VanDerWaalsContact O-N 3.16Å; S434-R436 PolarHBondContact O-N 3.3Å; S434-I437 WeakPolarHBondContact O-CA 3.33Å; S434-I437 PolarHBondContact O-N 2.89Å; S434-L438 PolarHBondContact O-N 3.14Å
435D91.2Very high93.2Very high115 Ų11539.3 Ų39.362%0.61520%0.2SC*.Hα-helixtrans-55.6-40.6178.1-73.2-33.3000111.8C433 I437 L438 Q439C433-D435 PolarHBondContact O-N 3.15Å; D435-I437 VanDerWaalsContact C-N 3.3Å; D435-I437 PolarHBondContact O-N 3.35Å; D435-L438 PolarHBondContact O-N 2.81Å; D435-Q439 VanDerWaalsContact O-CB 3.27Å; D435-Q439 WeakPolarHBondContact O-CB 3.26Å; D435-Q439 VanDerWaalsContact O-CG 3.27Å; D435-Q439 WeakPolarHBondContact O-CG 3.25Å; D435-Q439 PolarHBondContact O-N 2.83Å
436R92.6Very high93Very high82 Ų8241.2 Ų41.231%0.30921%0.208SC..Hα-helixtrans-59.1-43176.2-178.858.5173.6-178.1-2.8111.5A396 L404 S434 D440 V441A396-R436 HydrophobicContact CB-CB 4.07Å; A396-R436 HydrophobicContact CB-CG 4.34Å; L404-R436 HydrophobicContact CD1-CG 3.97Å; S434-R436 PolarHBondContact O-N 3.3Å; R436-D440 WeakPolarHBondContact CD-OD2 3.42Å; R436-D440 IonicContact CZ-OD2 2.68Å; R436-D440 IonicContact NE-OD2 3.82Å; R436-D440 VanDerWaalsContact NH1-CG 3.3Å; R436-D440 IonicContact NH1-OD2 2.78Å; R436-D440 PolarHBondContact NH1-OD2 2.94Å; R436-D440 WeakPolarHBondContact O-CB 3.32Å; R436-D440 PolarHBondContact O-N 3.16Å; R436-V441 PolarHBondContact O-N 3.15Å
437I93.7Very high92.9Very high0 Ų039.5 Ų39.50%020%0.201CC..Hα-helixtrans-66.4-52.5177.9-69.2175.7000109.9T408 S431 S434 D435 Q439 V441 F443T408-I437 HydrophobicContact CG2-CG2 4.1Å; T408-I437 WeakPolarHBondContact OG1-CG2 3.27Å; S431-I437 WeakPolarHBondContact O-CD1 3.27Å; S434-I437 WeakPolarHBondContact O-CA 3.33Å; S434-I437 PolarHBondContact O-N 2.89Å; D435-I437 VanDerWaalsContact C-N 3.3Å; D435-I437 PolarHBondContact O-N 3.35Å; I437-Q439 PolarHBondContact O-N 3.31Å; I437-V441 HydrophobicContact CG1-CG2 4.32Å; I437-V441 WeakPolarHBondContact O-CB 3.12Å; I437-V441 PolarHBondContact O-N 3.33Å; I437-F443 HydrophobicContact CG2-CE1 4.28Å; I437-F443 VanDerWaalsContact O-CE1 3.28Å; I437-F443 WeakPolarHBondContact O-CE1 3.27Å
438L93.2Very high92.9Very high3 Ų339 Ų392%0.01620%0.199CC..Hα-helixtrans-67-34.2-174.6-65.3174.1000113.7L432 S434 D435 F443 I471 I474 L475L432-L438 WeakPolarHBondContact O-CD1 3.28Å; L432-L438 WeakPolarHBondContact O-CD2 3.31Å; L432-L438 WeakPolarHBondContact O-CG 3.49Å; S434-L438 PolarHBondContact O-N 3.14Å; D435-L438 PolarHBondContact O-N 2.81Å; L438-F443 HydrophobicContact CD2-CZ 4.31Å; L438-I471 HydrophobicContact CD1-CG1 4.3Å; L438-I471 HydrophobicContact CD2-CG2 4.1Å; L438-I474 HydrophobicContact CB-CG2 3.91Å; L438-I474 HydrophobicContact CD1-CB 4.38Å; L438-I474 HydrophobicContact CD1-CD1 3.64Å; L438-I474 HydrophobicContact CD1-CG2 4.44Å; L438-L475 HydrophobicContact CD2-CD2 3.97Å; L438-L475 HydrophobicContact CD2-CG 4.29Å
439Q90.6Very high92.7Very high74 Ų7439 Ų3935%0.34620%0.199SC..Hα-helixtrans-88.6-51-176.6-61.1-62.8-23.200112.9D435 I437 R445D435-Q439 VanDerWaalsContact O-CB 3.27Å; D435-Q439 WeakPolarHBondContact O-CB 3.26Å; D435-Q439 VanDerWaalsContact O-CG 3.27Å; D435-Q439 WeakPolarHBondContact O-CG 3.25Å; D435-Q439 PolarHBondContact O-N 2.83Å; I437-Q439 PolarHBondContact O-N 3.31Å; Q439-R445 PolarHBondContact O-NH2 2.95Å
440D88.3Confident92.6Very high88 Ų8843.4 Ų43.447%0.47122%0.218SC..Hα-helixtrans-107.9-22.3-161.6-55.3-38.1000114R436R436-D440 WeakPolarHBondContact CD-OD2 3.42Å; R436-D440 IonicContact CZ-OD2 2.68Å; R436-D440 IonicContact NE-OD2 3.82Å; R436-D440 VanDerWaalsContact NH1-CG 3.3Å; R436-D440 IonicContact NH1-OD2 2.78Å; R436-D440 PolarHBondContact NH1-OD2 2.94Å; R436-D440 WeakPolarHBondContact O-CB 3.32Å; R436-D440 PolarHBondContact O-N 3.16Å
441V91.1Very high92.5Very high0 Ų042 Ų420%021%0.211CC..SBendtrans-81.3131-176.4177.70000110.1V401 L404 A405 R436 I437 F443V401-V441 HydrophobicContact CG1-CG2 4.45Å; L404-V441 HydrophobicContact CB-CG1 4.11Å; L404-V441 HydrophobicContact CB-CG2 3.61Å; L404-V441 HydrophobicContact CD1-CG2 3.78Å; L404-V441 HydrophobicContact CG-CG2 4.37Å; A405-V441 VanDerWaalsContact CA-CG1 3.48Å; A405-V441 HydrophobicContact CB-CG1 3.81Å; R436-V441 PolarHBondContact O-N 3.15Å; I437-V441 HydrophobicContact CG1-CG2 4.32Å; I437-V441 WeakPolarHBondContact O-CB 3.12Å; I437-V441 PolarHBondContact O-N 3.33Å; V441-F443 HydrophobicContact CB-CD1 4.37Å; V441-F443 HydrophobicContact CG1-CD1 4.26Å; V441-F443 WeakPolarHBondContact O-CD1 3.31Å; V441-F443 PolarHBondContact O-N 2.91Å
442P86.9Confident92.4Very high84 Ų8441.9 Ų41.955%0.54521%0.21SC..  trans-78.5115.5172.330.5-31.6000110V401 A405V401-P442 VanDerWaalsContact CG1-CD 3.44Å; V401-P442 HydrophobicContact CG1-CG 4.34Å; A405-P442 WeakPolarHBondContact CB-O 3.33Å
443F91.9Very high92.2Very high30 Ų3041.9 Ų41.913%0.13221%0.21CC..SBendtrans-149.8171.617265.1-80.1000110T408 L412 I437 L438 V441 R445 A448 L475T408-F443 HydrophobicContact CG2-CB 3.83Å; T408-F443 HydrophobicContact CG2-CD1 3.96Å; T408-F443 HydrophobicContact CG2-CD2 3.61Å; T408-F443 HydrophobicContact CG2-CE1 4.47Å; T408-F443 HydrophobicContact CG2-CE2 4.12Å; T408-F443 HydrophobicContact CG2-CG 3.52Å; L412-F443 HydrophobicContact CD1-CD2 4.32Å; I437-F443 HydrophobicContact CG2-CE1 4.28Å; I437-F443 VanDerWaalsContact O-CE1 3.28Å; I437-F443 WeakPolarHBondContact O-CE1 3.27Å; L438-F443 HydrophobicContact CD2-CZ 4.31Å; V441-F443 HydrophobicContact CB-CD1 4.37Å; V441-F443 HydrophobicContact CG1-CD1 4.26Å; V441-F443 WeakPolarHBondContact O-CD1 3.31Å; V441-F443 PolarHBondContact O-N 2.91Å; F443-R445 VanDerWaalsContact C-N 3.31Å; F443-R445 HydrophobicContact CD2-CG 4.45Å; F443-R445 HydrophobicContact CE1-CG 4.28Å; F443-R445 HydrophobicContact CE2-CG 4.04Å; F443-R445 HydrophobicContact CZ-CG 3.95Å; F443-R445 PolarHBondContact O-N 3.27Å; F443-A448 HydrophobicContact CD2-CB 4.12Å; F443-A448 HydrophobicContact CE2-CB 3.64Å; F443-L475 HydrophobicContact CE2-CD2 4.14Å; F443-L475 HydrophobicContact CZ-CD2 3.83Å
444N91.1Very high92Very high76 Ų7643.4 Ų43.441%0.40621%0.213SC..  trans-71.884.6177.5-170.1-7.3000111.1F446 E447 A448N444-F446 PolarHBondContact O-N 2.88Å; N444-F446 PolarHBondContact OD1-N 3.13Å; N444-E447 HydrophobicContact CB-CB 4.04Å; N444-E447 VanDerWaalsContact CG-CB 3.43Å; N444-E447 VanDerWaalsContact ND2-CB 3.28Å; N444-E447 WeakPolarHBondContact ND2-CB 3.46Å; N444-E447 PolarHBondContact ND2-OE2 3.17Å; N444-E447 PolarHBondContact O-N 3.35Å; N444-E447 PolarHBondContact OD1-N 3.46Å; N444-A448 WeakPolarHBondContact O-CB 3.24Å; N444-A448 PolarHBondContact O-N 3.21Å
445R93.3Very high91.8Very high66 Ų6643 Ų4325%0.24921%0.209CC..Hα-helixtrans-58.6-33.1-179.5-67.1-171.1-178.7100.82112.8Q439 F443 A449 L475 L479Q439-R445 PolarHBondContact O-NH2 2.95Å; F443-R445 VanDerWaalsContact C-N 3.31Å; F443-R445 HydrophobicContact CD2-CG 4.45Å; F443-R445 HydrophobicContact CE1-CG 4.28Å; F443-R445 HydrophobicContact CE2-CG 4.04Å; F443-R445 HydrophobicContact CZ-CG 3.95Å; F443-R445 PolarHBondContact O-N 3.27Å; R445-A449 WeakPolarHBondContact O-CB 3.48Å; R445-A449 PolarHBondContact O-N 3.34Å; R445-L475 HydrophobicContact CB-CD2 4.04Å; R445-L475 HydrophobicContact CG-CD2 3.98Å; R445-L479 HydrophobicContact CB-CD2 3.86Å
446F92.1Very high91.8Very high44 Ų4437.7 Ų37.719%0.19318%0.181CC..Hα-helixtrans-68.9-48.6179.9177-108.9000111.8N444 A448 A449 K450 L479 Q483 Q486 L487N444-F446 PolarHBondContact O-N 2.88Å; N444-F446 PolarHBondContact OD1-N 3.13Å; F446-A448 VanDerWaalsContact C-N 3.31Å; F446-A448 PolarHBondContact O-N 2.92Å; F446-A449 PolarHBondContact O-N 3.45Å; F446-K450 PolarHBondContact O-N 3.41Å; F446-L479 HydrophobicContact CB-CD2 3.93Å; F446-Q483 HydrophobicContact CB-CG 4.45Å; F446-Q483 HydrophobicContact CD2-CB 3.74Å; F446-Q483 HydrophobicContact CD2-CG 3.96Å; F446-Q483 HydrophobicContact CE2-CB 4.19Å; F446-Q483 HydrophobicContact CE2-CG 4.47Å; F446-Q483 WeakPolarHBondContact CE2-O 3.27Å; F446-Q483 HydrophobicContact CG-CB 4.49Å; F446-Q483 HydrophobicContact CG-CG 4.26Å; F446-Q486 HydrophobicContact CE2-CB 3.95Å; F446-Q486 HydrophobicContact CZ-CB 3.99Å; F446-L487 HydrophobicContact CD2-CD1 4.32Å; F446-L487 HydrophobicContact CD2-CD2 4.17Å; F446-L487 HydrophobicContact CD2-CG 4.05Å; F446-L487 HydrophobicContact CE2-CD1 4.49Å; F446-L487 HydrophobicContact CE2-CD2 3.78Å; F446-L487 HydrophobicContact CE2-CG 3.73Å; F446-L487 HydrophobicContact CZ-CD2 4.43Å
447E92.4Very high91.5Very high46 Ų4635 Ų3522%0.21517%0.174CC..Hα-helixtrans-61.8-40.8174.4-178.8177.1-171.900111.5K413 N444 K450 L451K413-E447 IonicContact NZ-OE1 3.79Å; K413-E447 PolarHBondContact NZ-OE1 3.33Å; N444-E447 HydrophobicContact CB-CB 4.04Å; N444-E447 VanDerWaalsContact CG-CB 3.43Å; N444-E447 VanDerWaalsContact ND2-CB 3.28Å; N444-E447 WeakPolarHBondContact ND2-CB 3.46Å; N444-E447 PolarHBondContact ND2-OE2 3.17Å; N444-E447 PolarHBondContact O-N 3.35Å; N444-E447 PolarHBondContact OD1-N 3.46Å; E447-K450 PolarHBondContact O-N 3.47Å; E447-L451 HydrophobicContact CG-CD1 4.17Å; E447-L451 WeakPolarHBondContact O-CG 3.3Å; E447-L451 PolarHBondContact O-N 2.97Å
448A95.5Very high91.1Very high1 Ų140.9 Ų40.91%0.00821%0.205CC..Hα-helixtrans-60.3-47.7174.800000112.4L412 F443 N444 F446 K450 L451 V452 L475L412-A448 HydrophobicContact CD1-CB 3.82Å; L412-A448 HydrophobicContact CD2-CB 3.8Å; L412-A448 HydrophobicContact CG-CB 4.47Å; F443-A448 HydrophobicContact CD2-CB 4.12Å; F443-A448 HydrophobicContact CE2-CB 3.64Å; N444-A448 WeakPolarHBondContact O-CB 3.24Å; N444-A448 PolarHBondContact O-N 3.21Å; F446-A448 VanDerWaalsContact C-N 3.31Å; F446-A448 PolarHBondContact O-N 2.92Å; A448-K450 VanDerWaalsContact C-N 3.34Å; A448-K450 PolarHBondContact O-N 3.03Å; A448-L451 PolarHBondContact O-N 3.44Å; A448-V452 VanDerWaalsContact O-CG2 3.25Å; A448-V452 WeakPolarHBondContact O-CG2 3.42Å; A448-V452 PolarHBondContact O-N 3.31Å; A448-L475 HydrophobicContact CB-CD1 3.81Å
449A93.9Very high90.7Very high0 Ų042.3 Ų42.30%021%0.212CC..Hα-helixtrans-60.5-44.917800000111R445 F446 L451 V452 M453 L475 L479 L487R445-A449 WeakPolarHBondContact O-CB 3.48Å; R445-A449 PolarHBondContact O-N 3.34Å; F446-A449 PolarHBondContact O-N 3.45Å; A449-L451 PolarHBondContact O-N 3.42Å; A449-V452 PolarHBondContact O-N 3Å; A449-M453 HydrophobicContact CB-CE 4.46Å; A449-M453 WeakPolarHBondContact O-CB 3.4Å; A449-M453 WeakPolarHBondContact O-CG 3.46Å; A449-M453 PolarHBondContact O-N 3.5Å; A449-L475 HydrophobicContact CB-CB 4.15Å; A449-L475 HydrophobicContact CB-CD1 3.97Å; A449-L479 HydrophobicContact CB-CD1 4.16Å; A449-L487 HydrophobicContact CB-CD1 3.55Å
450K92.3Very high90.1Very high91 Ų9147.4 Ų47.440%0.39624%0.236SC..Hα-helixtrans-58.4-48.6176.8-172.5175.8-177.6174.80112.2F446 E447 A448 M453 Q454 L487F446-K450 PolarHBondContact O-N 3.41Å; E447-K450 PolarHBondContact O-N 3.47Å; A448-K450 VanDerWaalsContact C-N 3.34Å; A448-K450 PolarHBondContact O-N 3.03Å; K450-M453 PolarHBondContact O-N 3.27Å; K450-Q454 WeakPolarHBondContact O-CB 3.41Å; K450-Q454 VanDerWaalsContact O-CG 3.25Å; K450-Q454 WeakPolarHBondContact O-CG 3.32Å; K450-Q454 PolarHBondContact O-N 3.04Å; K450-L487 HydrophobicContact CB-CD2 3.99Å
451L93.1Very high90Very high21 Ų2146.5 Ų46.511%0.1123%0.231CC..Hα-helixtrans-63.6-44.2-180-75169.5000112.1L412 E416 E447 A448 A449 Q454 W455L412-L451 HydrophobicContact CB-CD1 3.92Å; L412-L451 HydrophobicContact CD2-CD1 4Å; L412-L451 HydrophobicContact CG-CD1 4.5Å; E416-L451 HydrophobicContact CB-CD2 4.15Å; E447-L451 HydrophobicContact CG-CD1 4.17Å; E447-L451 WeakPolarHBondContact O-CG 3.3Å; E447-L451 PolarHBondContact O-N 2.97Å; A448-L451 PolarHBondContact O-N 3.44Å; A449-L451 PolarHBondContact O-N 3.42Å; L451-Q454 PolarHBondContact O-N 2.89Å; L451-W455 WeakPolarHBondContact O-CB 3.25Å; L451-W455 PolarHBondContact O-N 3.45Å
452V94.6Very high89.7Confident0 Ų052.3 Ų52.30%026%0.258CS..Hα-helixtrans-68-38.7-180177.50000111.2M415 L429 L432 A448 A449 W455 L456 A468 I471 I472M415-V452 HydrophobicContact CE-CG2 4.23Å; L429-V452 HydrophobicContact CD2-CG1 4.1Å; L429-V452 HydrophobicContact CD2-CG2 3.94Å; L432-V452 HydrophobicContact CD1-CG2 4.49Å; A448-V452 VanDerWaalsContact O-CG2 3.25Å; A448-V452 WeakPolarHBondContact O-CG2 3.42Å; A448-V452 PolarHBondContact O-N 3.31Å; A449-V452 PolarHBondContact O-N 3Å; V452-W455 PolarHBondContact O-N 3.2Å; V452-L456 WeakPolarHBondContact O-CB 3.49Å; V452-L456 PolarHBondContact O-N 3.28Å; V452-A468 HydrophobicContact CG1-CB 3.75Å; V452-I471 HydrophobicContact CG1-CB 4.31Å; V452-I471 HydrophobicContact CG1-CG2 4.3Å; V452-I471 HydrophobicContact CG2-CG2 4.02Å; V452-I472 HydrophobicContact CB-CG1 4.38Å; V452-I472 HydrophobicContact CG1-CD1 4.04Å; V452-I472 HydrophobicContact CG1-CG1 3.84Å
453M90.9Very high89.6Confident1 Ų153.2 Ų53.21%0.00526%0.258CS..Hα-helixtrans-66-44.5174.5-70.4168.4177.300111.9A449 K450 W455 L456 C457 I472 L487 I493 L524A449-M453 HydrophobicContact CB-CE 4.46Å; A449-M453 WeakPolarHBondContact O-CB 3.4Å; A449-M453 WeakPolarHBondContact O-CG 3.46Å; A449-M453 PolarHBondContact O-N 3.5Å; K450-M453 PolarHBondContact O-N 3.27Å; M453-W455 VanDerWaalsContact C-N 3.28Å; M453-W455 PolarHBondContact O-N 2.83Å; M453-L456 WeakPolarHBondContact O-CB 3.5Å; M453-L456 PolarHBondContact O-N 3.02Å; M453-C457 PolarHBondContact O-N 3.46Å; M453-C457 VanDerWaalsContact O-N 3.08Å; M453-C457 PolarHBondContact O-SG 2.99Å; M453-I472 HydrophobicContact CB-CD1 4.42Å; M453-I472 HydrophobicContact CE-CG1 4.36Å; M453-I472 HydrophobicContact CE-CG2 3.52Å; M453-I472 HydrophobicContact CG-CD1 3.62Å; M453-I472 HydrophobicContact CG-CG1 3.83Å; M453-I472 HydrophobicContact CG-CG2 4.48Å; M453-L487 HydrophobicContact CE-CB 4.34Å; M453-L487 HydrophobicContact CE-CD1 3.83Å; M453-L487 HydrophobicContact SD-CB 4.14Å; M453-L487 HydrophobicContact SD-CD1 4.07Å; M453-L487 HydrophobicContact SD-CD2 4.07Å; M453-L487 HydrophobicContact SD-CG 4.32Å; M453-I493 HydrophobicContact CB-CD1 3.71Å; M453-I493 HydrophobicContact CB-CG1 4.14Å; M453-I493 HydrophobicContact CB-CG2 4.16Å; M453-I493 HydrophobicContact CG-CD1 4.13Å; M453-I493 HydrophobicContact CG-CG2 3.93Å; M453-I493 HydrophobicContact SD-CD1 3.6Å; M453-I493 HydrophobicContact SD-CG2 3.97Å; M453-L524 HydrophobicContact CE-CD1 4.07Å; M453-L524 HydrophobicContact CE-CD2 3.7Å; M453-L524 HydrophobicContact CE-CG 4.46Å
454Q89.1Confident89.5Confident73 Ų7352.1 Ų52.134%0.34125%0.254SS..Hα-helixtrans-59-41.4174.4-75.7175.9-13.200111.5K450 L451 C457 N458K450-Q454 WeakPolarHBondContact O-CB 3.41Å; K450-Q454 VanDerWaalsContact O-CG 3.25Å; K450-Q454 WeakPolarHBondContact O-CG 3.32Å; K450-Q454 PolarHBondContact O-N 3.04Å; L451-Q454 PolarHBondContact O-N 2.89Å; Q454-C457 PolarHBondContact O-N 3.49Å; Q454-N458 PolarHBondContact O-N 3.22Å; Q454-N458 PolarHBondContact O-ND2 3.35Å; Q454-N458 VanDerWaalsContact O-ND2 3.08Å
455W90.9Very high89.5Confident9 Ų949.5 Ų49.53%0.03424%0.239CC..Hα-helixtrans-59.7-48.9174.4179.587.4000111.5L429 L451 V452 M453 C457 N458 H459 M464 A468L429-W455 HydrophobicContact CD1-CD2 3.9Å; L429-W455 HydrophobicContact CD1-CE3 3.93Å; L429-W455 HydrophobicContact CD1-CZ2 4.47Å; L429-W455 HydrophobicContact CD1-CZ3 4.26Å; L451-W455 WeakPolarHBondContact O-CB 3.25Å; L451-W455 PolarHBondContact O-N 3.45Å; V452-W455 PolarHBondContact O-N 3.2Å; M453-W455 VanDerWaalsContact C-N 3.28Å; M453-W455 PolarHBondContact O-N 2.83Å; W455-C457 PolarHBondContact O-N 2.99Å; W455-N458 PolarHBondContact O-N 3.29Å; W455-N458 VanDerWaalsContact O-N 3.07Å; W455-H459 AromaticContact CD1-CE1 3.58Å; W455-H459 AromaticContact CD1-ND1 3.47Å; W455-H459 HydrophobicContact CD2-CB 4.44Å; W455-H459 AromaticContact CE2-CG 3.67Å; W455-H459 AromaticContact CE2-ND1 3.71Å; W455-H459 AromaticContact CG-ND1 3.91Å; W455-H459 HydrophobicContact CH2-CB 3.89Å; W455-H459 HydrophobicContact CZ2-CB 3.43Å; W455-H459 VanDerWaalsContact CZ2-CB 3.43Å; W455-H459 AromaticContact CZ2-CG 3.8Å; W455-H459 AromaticContact NE1-CD2 3.87Å; W455-H459 AromaticContact NE1-CE1 3.56Å; W455-H459 AromaticContact NE1-CG 3.56Å; W455-H459 AromaticContact NE1-ND1 3.34Å; W455-H459 PolarHBondContact NE1-ND1 3.12Å; W455-H459 AromaticContact NE1-NE2 3.85Å; W455-H459 PolarHBondContact O-N 3.04Å; W455-H459 PolarHBondContact O-ND1 3.13Å; W455-M464 HydrophobicContact CD2-CE 4.46Å; W455-M464 VanDerWaalsContact CE2-CE 3.41Å; W455-M464 HydrophobicContact CH2-CB 3.15Å; W455-M464 HydrophobicContact CH2-CE 4.03Å; W455-M464 HydrophobicContact CH2-CG 4.29Å; W455-M464 HydrophobicContact CH2-SD 4.33Å; W455-M464 HydrophobicContact CZ2-CB 3.55Å; W455-M464 HydrophobicContact CZ2-CE 3.16Å; W455-M464 HydrophobicContact CZ2-CG 4.24Å; W455-M464 HydrophobicContact CZ2-SD 3.72Å; W455-M464 HydrophobicContact CZ3-CB 3.93Å; W455-A468 HydrophobicContact CE3-CB 3.77Å; W455-A468 HydrophobicContact CZ3-CB 3.77Å
456L91Very high89.4Confident3 Ų352 Ų522%0.01625%0.248CC..Hα-helixtrans-57.7-32.6179.8-179.265.7000112.5V452 M453 N458 Q465 A468 V469 I472 L497 I500V452-L456 WeakPolarHBondContact O-CB 3.49Å; V452-L456 PolarHBondContact O-N 3.28Å; M453-L456 WeakPolarHBondContact O-CB 3.5Å; M453-L456 PolarHBondContact O-N 3.02Å; L456-N458 VanDerWaalsContact C-N 3.34Å; L456-Q465 HydrophobicContact CD1-CB 4.36Å; L456-Q465 HydrophobicContact CD1-CG 3.87Å; L456-A468 HydrophobicContact CB-CB 4.4Å; L456-A468 HydrophobicContact CD1-CB 4.21Å; L456-V469 HydrophobicContact CD1-CG1 4.41Å; L456-V469 HydrophobicContact CD2-CG1 4.05Å; L456-I472 HydrophobicContact CD2-CD1 3.8Å; L456-L497 HydrophobicContact CD2-CD2 3.82Å; L456-I500 HydrophobicContact CD1-CD1 4.05Å; L456-I500 HydrophobicContact CD2-CD1 4.32Å
457C86.1Confident89.5Confident25 Ų2550.8 Ų50.817%0.16924%0.244CC..Hα-helixtrans-79.4-19-178.5-60.30000113.6M453 Q454 W455 F492 Q496M453-C457 PolarHBondContact O-N 3.46Å; M453-C457 VanDerWaalsContact O-N 3.08Å; M453-C457 PolarHBondContact O-SG 2.99Å; Q454-C457 PolarHBondContact O-N 3.49Å; W455-C457 PolarHBondContact O-N 2.99Å; C457-F492 HydrophobicContact CB-CD2 3.84Å; C457-F492 HydrophobicContact CB-CE2 4.17Å; C457-F492 WeakPolarHBondContact SG-CD2 3.47Å; C457-Q496 HydrophobicContact CB-CG 4.17Å
458N85.6Confident89.6Confident124 Ų12448.6 Ų48.666%0.66323%0.233SC*.Hα-helixtrans-105.7-2.4-175.1-67.6-32.8000113.7Q454 W455 L456Q454-N458 PolarHBondContact O-N 3.22Å; Q454-N458 PolarHBondContact O-ND2 3.35Å; Q454-N458 VanDerWaalsContact O-ND2 3.08Å; W455-N458 PolarHBondContact O-N 3.29Å; W455-N458 VanDerWaalsContact O-N 3.07Å; L456-N458 VanDerWaalsContact C-N 3.34Å
459H84.8Confident89.5Confident32 Ų3248.6 Ų48.615%0.14823%0.233CC..  trans-140.4148.8-170.5-61.385.7000113.2W455W455-H459 AromaticContact CD1-CE1 3.58Å; W455-H459 AromaticContact CD1-ND1 3.47Å; W455-H459 HydrophobicContact CD2-CB 4.44Å; W455-H459 AromaticContact CE2-CG 3.67Å; W455-H459 AromaticContact CE2-ND1 3.71Å; W455-H459 AromaticContact CG-ND1 3.91Å; W455-H459 HydrophobicContact CH2-CB 3.89Å; W455-H459 HydrophobicContact CZ2-CB 3.43Å; W455-H459 VanDerWaalsContact CZ2-CB 3.43Å; W455-H459 AromaticContact CZ2-CG 3.8Å; W455-H459 AromaticContact NE1-CD2 3.87Å; W455-H459 AromaticContact NE1-CE1 3.56Å; W455-H459 AromaticContact NE1-CG 3.56Å; W455-H459 AromaticContact NE1-ND1 3.34Å; W455-H459 PolarHBondContact NE1-ND1 3.12Å; W455-H459 AromaticContact NE1-NE2 3.85Å; W455-H459 PolarHBondContact O-N 3.04Å; W455-H459 PolarHBondContact O-ND1 3.13Å
460E77.6Confident89.5Confident182 Ų18249.2 Ų49.285%0.8524%0.239SC*.  trans-116.114.1-174.4-61.4-172.2162.200114.5Q462E460-Q462 PolarHBondContact O-N 3.13Å
461D85.4Confident89.7Confident69 Ų6945 Ų4537%0.36922%0.22SC..  trans-72119.8178.6-178.3-58.8000111.6N463 M464 Q465D461-N463 PolarHBondContact O-N 3.43Å; D461-N463 WeakPolarHBondContact OD1-CA 3.42Å; D461-N463 WeakPolarHBondContact OD1-CB 3.23Å; D461-N463 PolarHBondContact OD1-N 3.5Å; D461-M464 HydrophobicContact CB-CB 4.06Å; D461-M464 HydrophobicContact CB-CG 4.22Å; D461-M464 HydrophobicContact CB-SD 4.09Å; D461-M464 PolarHBondContact O-N 2.97Å; D461-M464 PolarHBondContact OD1-N 2.88Å; D461-Q465 WeakPolarHBondContact O-CB 3.44Å; D461-Q465 PolarHBondContact O-N 2.87Å
462Q85.5Confident89.8Confident121 Ų12144 Ų4457%0.56522%0.215SC*.Hα-helixtrans-64-37.7-176.2-68.9-173.3-5.800114.4E460 R466E460-Q462 PolarHBondContact O-N 3.13Å; Q462-R466 PolarHBondContact O-N 3.44Å; Q462-R466 VanDerWaalsContact O-N 3.15Å
463N85.6Confident89.8Confident104 Ų10444.4 Ų44.456%0.55622%0.218SC*.Hα-helixtrans-72.4-41.9-178.9-77-46.3000110.6D461 R466 M467D461-N463 PolarHBondContact O-N 3.43Å; D461-N463 WeakPolarHBondContact OD1-CA 3.42Å; D461-N463 WeakPolarHBondContact OD1-CB 3.23Å; D461-N463 PolarHBondContact OD1-N 3.5Å; N463-R466 PolarHBondContact O-N 3.09Å; N463-M467 PolarHBondContact O-N 2.91Å
464M88.4Confident89.9Confident6 Ų645.9 Ų45.93%0.0323%0.225CC..Hα-helixtrans-71-34.8175.6-64176.569.400111.9Q425 K426 L429 W455 D461 R466 M467 A468Q425-M464 HydrophobicContact CB-CE 3.8Å; K426-M464 HydrophobicContact CB-CE 3.97Å; K426-M464 HydrophobicContact CB-CG 4.46Å; K426-M464 HydrophobicContact CB-SD 4Å; K426-M464 HydrophobicContact CG-CG 4.37Å; K426-M464 HydrophobicContact CG-SD 4.45Å; L429-M464 HydrophobicContact CD1-CB 4.34Å; L429-M464 HydrophobicContact CD1-CE 3.75Å; W455-M464 HydrophobicContact CD2-CE 4.46Å; W455-M464 VanDerWaalsContact CE2-CE 3.41Å; W455-M464 HydrophobicContact CH2-CB 3.15Å; W455-M464 HydrophobicContact CH2-CE 4.03Å; W455-M464 HydrophobicContact CH2-CG 4.29Å; W455-M464 HydrophobicContact CH2-SD 4.33Å; W455-M464 HydrophobicContact CZ2-CB 3.55Å; W455-M464 HydrophobicContact CZ2-CE 3.16Å; W455-M464 HydrophobicContact CZ2-CG 4.24Å; W455-M464 HydrophobicContact CZ2-SD 3.72Å; W455-M464 HydrophobicContact CZ3-CB 3.93Å; D461-M464 HydrophobicContact CB-CB 4.06Å; D461-M464 HydrophobicContact CB-CG 4.22Å; D461-M464 HydrophobicContact CB-SD 4.09Å; D461-M464 PolarHBondContact O-N 2.97Å; D461-M464 PolarHBondContact OD1-N 2.88Å; M464-R466 VanDerWaalsContact C-N 3.33Å; M464-R466 PolarHBondContact O-N 2.84Å; M464-M467 HydrophobicContact CB-CE 4.13Å; M464-M467 HydrophobicContact CG-CE 3.79Å; M464-M467 WeakPolarHBondContact O-CB 3.28Å; M464-M467 PolarHBondContact O-N 2.97Å; M464-M467 VanDerWaalsContact O-N 3.16Å; M464-A468 WeakPolarHBondContact O-CB 3.48Å; M464-A468 PolarHBondContact O-N 3.35Å
465Q91.1Very high90.1Very high22 Ų2242.4 Ų42.410%0.10321%0.209CC..Hα-helixtrans-56.2-47.7171.9177.8178.488.700110.8L456 D461 M467 A468 V469 I500L456-Q465 HydrophobicContact CD1-CB 4.36Å; L456-Q465 HydrophobicContact CD1-CG 3.87Å; D461-Q465 WeakPolarHBondContact O-CB 3.44Å; D461-Q465 PolarHBondContact O-N 2.87Å; Q465-M467 VanDerWaalsContact C-N 3.32Å; Q465-M467 PolarHBondContact O-N 3.45Å; Q465-A468 PolarHBondContact O-N 3.41Å; Q465-V469 WeakPolarHBondContact O-CG2 3.41Å; Q465-V469 PolarHBondContact O-N 3.25Å; Q465-I500 HydrophobicContact CG-CD1 3.77Å; Q465-I500 HydrophobicContact CG-CG1 4.4Å
466R92.2Very high90.2Very high117 Ų11742 Ų4244%0.44221%0.208SC..Hα-helixtrans-56-45.3175.5-177.3-179.764.2173.8-0.6112.2Q462 N463 M464 V469 A470 T513Q462-R466 PolarHBondContact O-N 3.44Å; Q462-R466 VanDerWaalsContact O-N 3.15Å; N463-R466 PolarHBondContact O-N 3.09Å; M464-R466 VanDerWaalsContact C-N 3.33Å; M464-R466 PolarHBondContact O-N 2.84Å; R466-V469 WeakPolarHBondContact O-CG2 3.43Å; R466-A470 WeakPolarHBondContact O-CB 3.44Å; R466-A470 PolarHBondContact O-N 3.3Å; R466-A470 VanDerWaalsContact O-N 3.11Å; R466-T513 WeakPolarHBondContact CB-OG1 3.33Å; R466-T513 WeakPolarHBondContact CG-OG1 3.1Å
467M92.7Very high90.1Very high20 Ų2044.1 Ų44.110%0.09923%0.226CC..Hα-helixtrans-64.6-45.9178.4-69.2-173.4-67.300111.7K426 L429 L430 C433 N463 M464 Q465 A470 I471K426-M467 HydrophobicContact CG-CE 4.46Å; L429-M467 HydrophobicContact CB-CB 4.48Å; L429-M467 HydrophobicContact CB-CE 4.42Å; L430-M467 HydrophobicContact CB-SD 4.47Å; L430-M467 HydrophobicContact CD2-CE 4.27Å; L430-M467 HydrophobicContact CD2-SD 3.38Å; L430-M467 WeakPolarHBondContact CD2-SD 3.42Å; L430-M467 HydrophobicContact CG-CE 4.15Å; L430-M467 HydrophobicContact CG-SD 3.69Å; C433-M467 VanDerWaalsContact SG-CB 3.56Å; N463-M467 PolarHBondContact O-N 2.91Å; M464-M467 HydrophobicContact CB-CE 4.13Å; M464-M467 HydrophobicContact CG-CE 3.79Å; M464-M467 WeakPolarHBondContact O-CB 3.28Å; M464-M467 PolarHBondContact O-N 2.97Å; M464-M467 VanDerWaalsContact O-N 3.16Å; Q465-M467 VanDerWaalsContact C-N 3.32Å; Q465-M467 PolarHBondContact O-N 3.45Å; M467-A470 PolarHBondContact O-N 2.96Å; M467-I471 WeakPolarHBondContact O-CG1 3.26Å; M467-I471 PolarHBondContact O-N 3.24Å
468A94.5Very high90.3Very high0 Ų047.7 Ų47.70%024%0.239CC..Hα-helixtrans-61.2-47.3179.700000111.8V452 W455 L456 M464 Q465 A470 I471 I472V452-A468 HydrophobicContact CG1-CB 3.75Å; W455-A468 HydrophobicContact CE3-CB 3.77Å; W455-A468 HydrophobicContact CZ3-CB 3.77Å; L456-A468 HydrophobicContact CB-CB 4.4Å; L456-A468 HydrophobicContact CD1-CB 4.21Å; M464-A468 WeakPolarHBondContact O-CB 3.48Å; M464-A468 PolarHBondContact O-N 3.35Å; Q465-A468 PolarHBondContact O-N 3.41Å; A468-A470 VanDerWaalsContact C-N 3.33Å; A468-A470 PolarHBondContact O-N 3.43Å; A468-I471 PolarHBondContact O-N 3.47Å; A468-I472 WeakPolarHBondContact O-CB 3.36Å; A468-I472 WeakPolarHBondContact O-CD1 3.34Å; A468-I472 WeakPolarHBondContact O-CG1 3.46Å; A468-I472 PolarHBondContact O-N 2.83Å
469V94.6Very high90.5Very high0 Ų042.2 Ų42.20%021%0.209CC..Hα-helixtrans-67.2-33.7178.5-60.10000112.3L456 Q465 R466 I472 S473 L497 I500 T513 F516L456-V469 HydrophobicContact CD1-CG1 4.41Å; L456-V469 HydrophobicContact CD2-CG1 4.05Å; Q465-V469 WeakPolarHBondContact O-CG2 3.41Å; Q465-V469 PolarHBondContact O-N 3.25Å; R466-V469 WeakPolarHBondContact O-CG2 3.43Å; V469-I472 PolarHBondContact O-N 3.08Å; V469-S473 VanDerWaalsContact O-CB 3.29Å; V469-S473 WeakPolarHBondContact O-CB 3.48Å; V469-S473 PolarHBondContact O-N 3.32Å; V469-S473 PolarHBondContact O-OG 3.47Å; V469-L497 HydrophobicContact CG1-CD2 4.08Å; V469-I500 HydrophobicContact CG1-CD1 4.01Å; V469-T513 HydrophobicContact CG2-CG2 4.1Å; V469-F516 HydrophobicContact CB-CB 4.26Å; V469-F516 HydrophobicContact CG2-CB 3.75Å
470A94.4Very high90.6Very high14 Ų1442.9 Ų42.912%0.11622%0.217CC..Hα-helixtrans-62.8-49174.100000111.1R466 M467 A468 I472 S473 I474 F516R466-A470 WeakPolarHBondContact O-CB 3.44Å; R466-A470 PolarHBondContact O-N 3.3Å; R466-A470 VanDerWaalsContact O-N 3.11Å; M467-A470 PolarHBondContact O-N 2.96Å; A468-A470 VanDerWaalsContact C-N 3.33Å; A468-A470 PolarHBondContact O-N 3.43Å; A470-I472 PolarHBondContact O-N 3.48Å; A470-S473 PolarHBondContact O-N 2.96Å; A470-S473 PolarHBondContact O-OG 3.02Å; A470-I474 PolarHBondContact O-N 3.24Å; A470-F516 HydrophobicContact CB-CD1 4.37Å; A470-F516 HydrophobicContact CB-CD2 3.69Å; A470-F516 HydrophobicContact CB-CE1 4.44Å; A470-F516 HydrophobicContact CB-CE2 3.78Å; A470-F516 HydrophobicContact CB-CG 4.02Å; A470-F516 HydrophobicContact CB-CZ 4.17Å
471I95.9Very high90.9Very high1 Ų135.9 Ų35.91%0.00519%0.187CC..Hα-helixtrans-59.3-49.6176.3-67161000110.5L429 L432 L438 V452 M467 A468 S473 I474 L475L429-I471 HydrophobicContact CB-CD1 4.49Å; L429-I471 HydrophobicContact CD2-CD1 3.8Å; L432-I471 HydrophobicContact CB-CD1 3.82Å; L438-I471 HydrophobicContact CD1-CG1 4.3Å; L438-I471 HydrophobicContact CD2-CG2 4.1Å; V452-I471 HydrophobicContact CG1-CB 4.31Å; V452-I471 HydrophobicContact CG1-CG2 4.3Å; V452-I471 HydrophobicContact CG2-CG2 4.02Å; M467-I471 WeakPolarHBondContact O-CG1 3.26Å; M467-I471 PolarHBondContact O-N 3.24Å; A468-I471 PolarHBondContact O-N 3.47Å; I471-S473 VanDerWaalsContact C-N 3.3Å; I471-S473 PolarHBondContact O-N 2.69Å; I471-I474 PolarHBondContact O-N 3.4Å; I471-L475 HydrophobicContact CG2-CD1 3.51Å; I471-L475 HydrophobicContact CG2-CG 3.95Å; I471-L475 WeakPolarHBondContact O-CB 3.48Å; I471-L475 VanDerWaalsContact O-CG 3.32Å; I471-L475 WeakPolarHBondContact O-CG 3.25Å; I471-L475 PolarHBondContact O-N 2.95Å
472I94.6Very high91Very high0 Ų037.1 Ų37.10%019%0.191CC..Hα-helixtrans-57.9-44.4179.2-69.4162.8000110.8V452 M453 L456 A468 V469 A470 I474 L475 A476 A520V452-I472 HydrophobicContact CB-CG1 4.38Å; V452-I472 HydrophobicContact CG1-CD1 4.04Å; V452-I472 HydrophobicContact CG1-CG1 3.84Å; M453-I472 HydrophobicContact CB-CD1 4.42Å; M453-I472 HydrophobicContact CE-CG1 4.36Å; M453-I472 HydrophobicContact CE-CG2 3.52Å; M453-I472 HydrophobicContact CG-CD1 3.62Å; M453-I472 HydrophobicContact CG-CG1 3.83Å; M453-I472 HydrophobicContact CG-CG2 4.48Å; L456-I472 HydrophobicContact CD2-CD1 3.8Å; A468-I472 WeakPolarHBondContact O-CB 3.36Å; A468-I472 WeakPolarHBondContact O-CD1 3.34Å; A468-I472 WeakPolarHBondContact O-CG1 3.46Å; A468-I472 PolarHBondContact O-N 2.83Å; V469-I472 PolarHBondContact O-N 3.08Å; A470-I472 PolarHBondContact O-N 3.48Å; I472-I474 VanDerWaalsContact C-N 3.28Å; I472-I474 PolarHBondContact O-N 2.81Å; I472-L475 PolarHBondContact O-N 2.94Å; I472-A476 WeakPolarHBondContact O-CB 3.18Å; I472-A476 PolarHBondContact O-N 3.2Å; I472-A520 HydrophobicContact CG2-CB 3.79Å
473S93.8Very high91.2Very high9 Ų934.4 Ų34.46%0.06318%0.178CC..Hα-helixtrans-59.5-39-178.476.20000112.6V469 A470 I471 F516 N523V469-S473 VanDerWaalsContact O-CB 3.29Å; V469-S473 WeakPolarHBondContact O-CB 3.48Å; V469-S473 PolarHBondContact O-N 3.32Å; V469-S473 PolarHBondContact O-OG 3.47Å; A470-S473 PolarHBondContact O-N 2.96Å; A470-S473 PolarHBondContact O-OG 3.02Å; I471-S473 VanDerWaalsContact C-N 3.3Å; I471-S473 PolarHBondContact O-N 2.69Å; S473-F516 WeakPolarHBondContact OG-CD1 3.39Å; S473-N523 PolarHBondContact O-ND2 3.16Å; S473-N523 VanDerWaalsContact O-ND2 3.09Å
474I93.7Very high91.2Very high32 Ų3229.5 Ų29.516%0.16415%0.152CC..Hα-helixtrans-77.7-45.7178.8-65.1165.9000110.6L438 A470 I471 I472 A477 K478L438-I474 HydrophobicContact CB-CG2 3.91Å; L438-I474 HydrophobicContact CD1-CB 4.38Å; L438-I474 HydrophobicContact CD1-CD1 3.64Å; L438-I474 HydrophobicContact CD1-CG2 4.44Å; A470-I474 PolarHBondContact O-N 3.24Å; I471-I474 PolarHBondContact O-N 3.4Å; I472-I474 VanDerWaalsContact C-N 3.28Å; I472-I474 PolarHBondContact O-N 2.81Å; I474-A477 WeakPolarHBondContact O-CB 3.43Å; I474-A477 PolarHBondContact O-N 3.36Å; I474-K478 WeakPolarHBondContact O-CG 3.36Å
475L93.9Very high91Very high1 Ų130.6 Ų30.61%0.00516%0.162CC..Hα-helixtrans-62.7-47-179.1-68.6-177.6000111.1L438 F443 R445 A448 A449 I471 I472 A477 K478 L479L438-L475 HydrophobicContact CD2-CD2 3.97Å; L438-L475 HydrophobicContact CD2-CG 4.29Å; F443-L475 HydrophobicContact CE2-CD2 4.14Å; F443-L475 HydrophobicContact CZ-CD2 3.83Å; R445-L475 HydrophobicContact CB-CD2 4.04Å; R445-L475 HydrophobicContact CG-CD2 3.98Å; A448-L475 HydrophobicContact CB-CD1 3.81Å; A449-L475 HydrophobicContact CB-CB 4.15Å; A449-L475 HydrophobicContact CB-CD1 3.97Å; I471-L475 HydrophobicContact CG2-CD1 3.51Å; I471-L475 HydrophobicContact CG2-CG 3.95Å; I471-L475 WeakPolarHBondContact O-CB 3.48Å; I471-L475 VanDerWaalsContact O-CG 3.32Å; I471-L475 WeakPolarHBondContact O-CG 3.25Å; I471-L475 PolarHBondContact O-N 2.95Å; I472-L475 PolarHBondContact O-N 2.94Å; L475-A477 PolarHBondContact O-N 2.98Å; L475-K478 PolarHBondContact O-N 3.34Å; L475-L479 WeakPolarHBondContact O-CG 3.39Å; L475-L479 PolarHBondContact O-N 2.87Å; L475-L479 VanDerWaalsContact O-N 3.16Å
476A91.8Very high90.8Very high0 Ų034.8 Ų34.80%018%0.181CC..Hα-helixtrans-56.4-34.9179.500000112.5I472 K478 N523 L524 R649I472-A476 WeakPolarHBondContact O-CB 3.18Å; I472-A476 PolarHBondContact O-N 3.2Å; A476-K478 VanDerWaalsContact C-N 3.26Å; A476-K478 PolarHBondContact O-N 3.29Å; A476-N523 HydrophobicContact CB-CB 3.66Å; A476-L524 HydrophobicContact CB-CD2 4.11Å; A476-L524 HydrophobicContact CB-CG 4.24Å; A476-R649 PolarHBondContact O-NH1 3.11Å; A476-R649 VanDerWaalsContact O-NH1 3.16Å; A476-R649 PolarHBondContact O-NH2 2.81Å
477A90.5Very high90.5Very high48 Ų4829.5 Ų29.540%0.39716%0.162SC..Hα-helixtrans-68.9-20.4175.700000114.1I474 L475I474-A477 WeakPolarHBondContact O-CB 3.43Å; I474-A477 PolarHBondContact O-N 3.36Å; L475-A477 PolarHBondContact O-N 2.98Å
478K89.2Confident89.6Confident100 Ų10028.6 Ų28.644%0.43516%0.158SC..Hα-helixtrans-105.7-9.5-174.9-60.7-73.6-172.7171.50113.6I474 L475 A476I474-K478 WeakPolarHBondContact O-CG 3.36Å; L475-K478 PolarHBondContact O-N 3.34Å; A476-K478 VanDerWaalsContact C-N 3.26Å; A476-K478 PolarHBondContact O-N 3.29Å
479L89.8Confident88.7Confident8 Ų832.1 Ų32.14%0.04218%0.18CC..SBendtrans-75.1154.9176.8-67.2175.8000111.2R445 F446 A449 L475 Q483 L487 R649R445-L479 HydrophobicContact CB-CD2 3.86Å; F446-L479 HydrophobicContact CB-CD2 3.93Å; A449-L479 HydrophobicContact CB-CD1 4.16Å; L475-L479 WeakPolarHBondContact O-CG 3.39Å; L475-L479 PolarHBondContact O-N 2.87Å; L475-L479 VanDerWaalsContact O-N 3.16Å; L479-Q483 HydrophobicContact CB-CB 4Å; L479-Q483 HydrophobicContact CD2-CB 4.32Å; L479-L487 HydrophobicContact CD1-CD1 3.24Å; L479-L487 HydrophobicContact CD1-CG 4.41Å; L479-R649 PolarHBondContact O-NH1 3.49Å
480S87.7Confident88Confident46 Ų4635.4 Ų35.432%0.32220%0.195SC..  trans-66.9160.4167.784.80000110.3E482 Q483 T484S480-E482 VanDerWaalsContact C-N 3.26Å; S480-E482 VanDerWaalsContact CB-OE2 3.25Å; S480-E482 WeakPolarHBondContact CB-OE2 3.38Å; S480-E482 PolarHBondContact O-N 2.71Å; S480-E482 PolarHBondContact OG-N 3.23Å; S480-E482 PolarHBondContact OG-OE2 3.29Å; S480-Q483 PolarHBondContact O-N 3.17Å; S480-Q483 VanDerWaalsContact O-N 3.16Å; S480-Q483 PolarHBondContact OG-N 3.34Å; S480-T484 PolarHBondContact O-N 2.89Å; S480-T484 PolarHBondContact O-OG1 3.35Å
481T84.5Confident87.2Confident36 Ų3638.5 Ų38.522%0.22121%0.209CC..Hα-helixtrans-59.2-38.1176.942.20000111.7Q483 T484 A485 E527T481-Q483 PolarHBondContact O-N 3.23Å; T481-T484 PolarHBondContact O-N 3.4Å; T481-A485 WeakPolarHBondContact O-CB 3.38Å; T481-A485 PolarHBondContact O-N 3.12Å; T481-E527 HydrophobicContact CG2-CB 3.89Å; T481-E527 HydrophobicContact CG2-CG 4.25Å
482E86.6Confident86.7Confident95 Ų9542.3 Ų42.344%0.44423%0.226SC..Hα-helixtrans-65.3-40.9175.6-53.780.5-175.800112.3S480 A485 Q486S480-E482 VanDerWaalsContact C-N 3.26Å; S480-E482 VanDerWaalsContact CB-OE2 3.25Å; S480-E482 WeakPolarHBondContact CB-OE2 3.38Å; S480-E482 PolarHBondContact O-N 2.71Å; S480-E482 PolarHBondContact OG-N 3.23Å; S480-E482 PolarHBondContact OG-OE2 3.29Å; E482-A485 PolarHBondContact O-N 3.44Å; E482-Q486 VanDerWaalsContact O-CG 3.32Å; E482-Q486 WeakPolarHBondContact O-CG 3.27Å; E482-Q486 PolarHBondContact O-N 3.36Å
483Q89.8Confident86.3Confident64 Ų6442.7 Ų42.730%0.29923%0.228SC..Hα-helixtrans-68.1-41.8177.5-75.1179.2-30.600111.5F446 L479 S480 T481 A485 Q486 L487F446-Q483 HydrophobicContact CB-CG 4.45Å; F446-Q483 HydrophobicContact CD2-CB 3.74Å; F446-Q483 HydrophobicContact CD2-CG 3.96Å; F446-Q483 HydrophobicContact CE2-CB 4.19Å; F446-Q483 HydrophobicContact CE2-CG 4.47Å; F446-Q483 WeakPolarHBondContact CE2-O 3.27Å; F446-Q483 HydrophobicContact CG-CB 4.49Å; F446-Q483 HydrophobicContact CG-CG 4.26Å; L479-Q483 HydrophobicContact CB-CB 4Å; L479-Q483 HydrophobicContact CD2-CB 4.32Å; S480-Q483 PolarHBondContact O-N 3.17Å; S480-Q483 VanDerWaalsContact O-N 3.16Å; S480-Q483 PolarHBondContact OG-N 3.34Å; T481-Q483 PolarHBondContact O-N 3.23Å; Q483-A485 VanDerWaalsContact C-N 3.35Å; Q483-Q486 PolarHBondContact O-N 2.76Å; Q483-L487 PolarHBondContact O-N 3.31Å
484T86.1Confident86.1Confident0 Ų042.3 Ų42.30%023%0.225CC..Hα-helixtrans-58.8-47.6173-63.90000110.7S480 T481 Q486 L487 G488 N523 L524 R649S480-T484 PolarHBondContact O-N 2.89Å; S480-T484 PolarHBondContact O-OG1 3.35Å; T481-T484 PolarHBondContact O-N 3.4Å; T484-Q486 VanDerWaalsContact C-N 3.32Å; T484-Q486 PolarHBondContact O-N 3.18Å; T484-L487 PolarHBondContact O-N 3.38Å; T484-G488 PolarHBondContact O-N 2.97Å; T484-N523 WeakPolarHBondContact CG2-O 3.41Å; T484-L524 HydrophobicContact CG2-CD2 4.43Å; T484-R649 PolarHBondContact OG1-NH1 2.85Å
485A84.3Confident86Confident30 Ų3048 Ų4825%0.24825%0.245CC..Hα-helixtrans-59.3-42.1177.400000112T481 E482 Q483 L487 G488 T489T481-A485 WeakPolarHBondContact O-CB 3.38Å; T481-A485 PolarHBondContact O-N 3.12Å; E482-A485 PolarHBondContact O-N 3.44Å; Q483-A485 VanDerWaalsContact C-N 3.35Å; A485-L487 PolarHBondContact O-N 2.87Å; A485-G488 CarbonylContact O-C 3.57Å; A485-G488 PolarHBondContact O-N 3.31Å; A485-T489 WeakPolarHBondContact O-CG2 3.36Å; A485-T489 PolarHBondContact O-N 3.16Å
486Q86.9Confident85.9Confident109 Ų10950.4 Ų50.451%0.50926%0.256SS..Hα-helixtrans-63.3-37.5175.6-74.8176.220.500113.6F446 E482 Q483 T484 G488 T489F446-Q486 HydrophobicContact CE2-CB 3.95Å; F446-Q486 HydrophobicContact CZ-CB 3.99Å; E482-Q486 VanDerWaalsContact O-CG 3.32Å; E482-Q486 WeakPolarHBondContact O-CG 3.27Å; E482-Q486 PolarHBondContact O-N 3.36Å; Q483-Q486 PolarHBondContact O-N 2.76Å; T484-Q486 VanDerWaalsContact C-N 3.32Å; T484-Q486 PolarHBondContact O-N 3.18Å; Q486-G488 VanDerWaalsContact C-N 3.35Å; Q486-T489 PolarHBondContact O-OG1 3.39Å
487L85.3Confident86.1Confident6 Ų650.4 Ų50.43%0.03126%0.256CS..Hα-helixtrans-70-39.6173.2-67.9177.2000110.9F446 A449 K450 M453 L479 Q483 T484 A485 T489 E490 L524F446-L487 HydrophobicContact CD2-CD1 4.32Å; F446-L487 HydrophobicContact CD2-CD2 4.17Å; F446-L487 HydrophobicContact CD2-CG 4.05Å; F446-L487 HydrophobicContact CE2-CD1 4.49Å; F446-L487 HydrophobicContact CE2-CD2 3.78Å; F446-L487 HydrophobicContact CE2-CG 3.73Å; F446-L487 HydrophobicContact CZ-CD2 4.43Å; A449-L487 HydrophobicContact CB-CD1 3.55Å; K450-L487 HydrophobicContact CB-CD2 3.99Å; M453-L487 HydrophobicContact CE-CB 4.34Å; M453-L487 HydrophobicContact CE-CD1 3.83Å; M453-L487 HydrophobicContact SD-CB 4.14Å; M453-L487 HydrophobicContact SD-CD1 4.07Å; M453-L487 HydrophobicContact SD-CD2 4.07Å; M453-L487 HydrophobicContact SD-CG 4.32Å; L479-L487 HydrophobicContact CD1-CD1 3.24Å; L479-L487 HydrophobicContact CD1-CG 4.41Å; Q483-L487 PolarHBondContact O-N 3.31Å; T484-L487 PolarHBondContact O-N 3.38Å; A485-L487 PolarHBondContact O-N 2.87Å; L487-T489 VanDerWaalsContact C-N 3.27Å; L487-T489 PolarHBondContact O-N 3.35Å; L487-E490 WeakPolarHBondContact O-CB 3.49Å; L487-E490 PolarHBondContact O-N 3.18Å; L487-L524 HydrophobicContact CB-CD2 4.39Å
488G74.6Confident86.3Confident2 Ų248.4 Ų48.42%0.02124%0.239CC..Hα-helixtrans-72.7-12.9-176.800000115.1T484 A485 Q486 E490 T531T484-G488 PolarHBondContact O-N 2.97Å; A485-G488 CarbonylContact O-C 3.57Å; A485-G488 PolarHBondContact O-N 3.31Å; Q486-G488 VanDerWaalsContact C-N 3.35Å; G488-E490 PolarHBondContact O-N 2.86Å; G488-T531 VanDerWaalsContact C-OG1 3.27Å; G488-T531 WeakPolarHBondContact CA-OG1 3.49Å; G488-T531 PolarHBondContact O-OG1 3.48Å; G488-T531 VanDerWaalsContact O-OG1 3.13Å
489T74.3Confident86.5Confident74 Ų7448.5 Ų48.545%0.45424%0.241SC..THydrogen-bonded Turntrans-71.4-16.1169.955.10000113.3A485 Q486 L487 L491 T530A485-T489 WeakPolarHBondContact O-CG2 3.36Å; A485-T489 PolarHBondContact O-N 3.16Å; Q486-T489 PolarHBondContact O-OG1 3.39Å; L487-T489 VanDerWaalsContact C-N 3.27Å; L487-T489 PolarHBondContact O-N 3.35Å; T489-L491 PolarHBondContact O-N 2.88Å; T489-T530 HydrophobicContact CG2-CG2 4.11Å
490E79.9Confident86.7Confident69 Ų6948.4 Ų48.432%0.32224%0.24SC..  trans-81.687.4179.7-61.4-75.2-160.200109.8L487 G488 F492 I493L487-E490 WeakPolarHBondContact O-CB 3.49Å; L487-E490 PolarHBondContact O-N 3.18Å; G488-E490 PolarHBondContact O-N 2.86Å; E490-F492 HydrophobicContact CB-CD1 4.16Å; E490-F492 HydrophobicContact CB-CE1 3.66Å; E490-F492 HydrophobicContact CB-CE2 4.45Å; E490-F492 HydrophobicContact CB-CZ 3.8Å; E490-F492 HydrophobicContact CG-CE1 4.11Å; E490-F492 HydrophobicContact CG-CZ 4.14Å; E490-F492 PolarHBondContact O-N 3.32Å; E490-F492 WeakPolarHBondContact OE2-CE1 3.38Å; E490-I493 HydrophobicContact CB-CD1 3.47Å; E490-I493 VanDerWaalsContact CB-CD1 3.47Å; E490-I493 HydrophobicContact CB-CG1 3.85Å; E490-I493 HydrophobicContact CG-CD1 4.07Å; E490-I493 WeakPolarHBondContact O-CB 3.3Å; E490-I493 PolarHBondContact O-N 3.24Å
491L78Confident87.2Confident79 Ų7946.2 Ų46.241%0.41423%0.225SC..Hα-helixtrans-44.2-37.2-177.1176.964.7000114.1T489 I493 R495 H534 N538T489-L491 PolarHBondContact O-N 2.88Å; L491-I493 VanDerWaalsContact C-N 3.27Å; L491-I493 PolarHBondContact O-N 3.09Å; L491-R495 PolarHBondContact O-N 3.45Å; L491-H534 HydrophobicContact CD1-CB 3.82Å; L491-N538 VanDerWaalsContact CD1-ND2 3.28Å; L491-N538 WeakPolarHBondContact CD1-ND2 3.43Å
492F84.7Confident87.7Confident81 Ų8149 Ų4936%0.35523%0.234SC..Hα-helixtrans-64.5-29.7-177.962-98.3000112.8C457 E490 Q496C457-F492 HydrophobicContact CB-CD2 3.84Å; C457-F492 HydrophobicContact CB-CE2 4.17Å; C457-F492 WeakPolarHBondContact SG-CD2 3.47Å; E490-F492 HydrophobicContact CB-CD1 4.16Å; E490-F492 HydrophobicContact CB-CE1 3.66Å; E490-F492 HydrophobicContact CB-CE2 4.45Å; E490-F492 HydrophobicContact CB-CZ 3.8Å; E490-F492 HydrophobicContact CG-CE1 4.11Å; E490-F492 HydrophobicContact CG-CZ 4.14Å; E490-F492 PolarHBondContact O-N 3.32Å; E490-F492 WeakPolarHBondContact OE2-CE1 3.38Å; F492-Q496 VanDerWaalsContact O-CG 3.23Å; F492-Q496 WeakPolarHBondContact O-CG 3.34Å; F492-Q496 PolarHBondContact O-N 2.97Å
493I86.4Confident88.1Confident7 Ų747.8 Ų47.84%0.03623%0.228CC..Hα-helixtrans-70.4-49.7-178.5-56.7175.1000110.4M453 E490 L491 R495 Q496 L497M453-I493 HydrophobicContact CB-CD1 3.71Å; M453-I493 HydrophobicContact CB-CG1 4.14Å; M453-I493 HydrophobicContact CB-CG2 4.16Å; M453-I493 HydrophobicContact CG-CD1 4.13Å; M453-I493 HydrophobicContact CG-CG2 3.93Å; M453-I493 HydrophobicContact SD-CD1 3.6Å; M453-I493 HydrophobicContact SD-CG2 3.97Å; E490-I493 HydrophobicContact CB-CD1 3.47Å; E490-I493 VanDerWaalsContact CB-CD1 3.47Å; E490-I493 HydrophobicContact CB-CG1 3.85Å; E490-I493 HydrophobicContact CG-CD1 4.07Å; E490-I493 WeakPolarHBondContact O-CB 3.3Å; E490-I493 PolarHBondContact O-N 3.24Å; L491-I493 VanDerWaalsContact C-N 3.27Å; L491-I493 PolarHBondContact O-N 3.09Å; I493-R495 VanDerWaalsContact C-N 3.28Å; I493-R495 PolarHBondContact O-N 2.91Å; I493-Q496 PolarHBondContact O-N 3.39Å; I493-L497 HydrophobicContact CG2-CD1 4.25Å; I493-L497 WeakPolarHBondContact O-CG 3.48Å; I493-L497 PolarHBondContact O-N 3.41Å
494V90.8Very high88.3Confident2 Ų245.6 Ų45.61%0.01222%0.218CC..Hα-helixtrans-58.2-45.4177.7178.50000109.9Q496 L497 L498 L521 T531 H534 F535V494-Q496 PolarHBondContact O-N 3.36Å; V494-L497 PolarHBondContact O-N 2.86Å; V494-L498 HydrophobicContact CG1-CD1 3.92Å; V494-L498 HydrophobicContact CG1-CG 4.38Å; V494-L498 WeakPolarHBondContact O-CB 3.42Å; V494-L498 VanDerWaalsContact O-CG 3.3Å; V494-L498 WeakPolarHBondContact O-CG 3.22Å; V494-L498 PolarHBondContact O-N 3.36Å; V494-L521 HydrophobicContact CG1-CD2 4.33Å; V494-T531 HydrophobicContact CG2-CG2 3.76Å; V494-H534 HydrophobicContact CG2-CB 4.45Å; V494-F535 HydrophobicContact CG1-CB 4.31Å
495R92Very high88.8Confident151 Ų15146 Ų4657%0.5722%0.22SC*.Hα-helixtrans-58.1-45.6176.9-178.7175.4171171.1-0.4112.7L491 I493 L498 Q499L491-R495 PolarHBondContact O-N 3.45Å; I493-R495 VanDerWaalsContact C-N 3.28Å; I493-R495 PolarHBondContact O-N 2.91Å; R495-L498 PolarHBondContact O-N 3.33Å; R495-Q499 PolarHBondContact O-N 2.97Å
496Q91.6Very high89.3Confident51 Ų5150.1 Ų50.124%0.23824%0.238CC..Hα-helixtrans-66.3-41.9179.2-70-62.194.400112.1C457 F492 I493 V494 L498 Q499 I500C457-Q496 HydrophobicContact CB-CG 4.17Å; F492-Q496 VanDerWaalsContact O-CG 3.23Å; F492-Q496 WeakPolarHBondContact O-CG 3.34Å; F492-Q496 PolarHBondContact O-N 2.97Å; I493-Q496 PolarHBondContact O-N 3.39Å; V494-Q496 PolarHBondContact O-N 3.36Å; Q496-L498 VanDerWaalsContact C-N 3.35Å; Q496-L498 PolarHBondContact O-N 3.41Å; Q496-Q499 WeakPolarHBondContact O-CB 3.28Å; Q496-Q499 PolarHBondContact O-N 2.92Å; Q496-I500 WeakPolarHBondContact O-CG1 3.2Å; Q496-I500 PolarHBondContact O-N 3.4Å; Q496-I500 VanDerWaalsContact O-N 3.07Å
497L94.5Very high89.6Confident0 Ų049.4 Ų49.40%023%0.234CC..Hα-helixtrans-62-42.6175.1-67.2173.7000111.4L456 V469 I493 V494 Q499 I500 V501 T517 A520 L521 L524L456-L497 HydrophobicContact CD2-CD2 3.82Å; V469-L497 HydrophobicContact CG1-CD2 4.08Å; I493-L497 HydrophobicContact CG2-CD1 4.25Å; I493-L497 WeakPolarHBondContact O-CG 3.48Å; I493-L497 PolarHBondContact O-N 3.41Å; V494-L497 PolarHBondContact O-N 2.86Å; L497-Q499 VanDerWaalsContact C-N 3.33Å; L497-Q499 PolarHBondContact O-N 3.35Å; L497-I500 WeakPolarHBondContact O-CB 3.37Å; L497-I500 PolarHBondContact O-N 2.94Å; L497-V501 WeakPolarHBondContact O-CG2 3.45Å; L497-V501 PolarHBondContact O-N 2.72Å; L497-T517 HydrophobicContact CB-CG2 4.04Å; L497-T517 HydrophobicContact CD2-CG2 4Å; L497-T517 VanDerWaalsContact O-CG2 3.26Å; L497-T517 WeakPolarHBondContact O-CG2 3.08Å; L497-A520 HydrophobicContact CD1-CB 4.34Å; L497-L521 HydrophobicContact CB-CD1 4.14Å; L497-L521 HydrophobicContact CB-CD2 3.74Å; L497-L521 HydrophobicContact CB-CG 3.85Å; L497-L521 HydrophobicContact CD1-CD2 3.88Å; L497-L521 HydrophobicContact CD1-CG 4.08Å; L497-L521 HydrophobicContact CG-CD2 4.49Å; L497-L524 HydrophobicContact CD1-CD1 3.66Å
498L95.8Very high89.9Confident7 Ų754.4 Ų54.44%0.03726%0.261CS..Hα-helixtrans-63.7-36.6174.7-69.5173000112.5V494 R495 Q496 I500 V501 K502 L521 F535 N538 L543 F544V494-L498 HydrophobicContact CG1-CD1 3.92Å; V494-L498 HydrophobicContact CG1-CG 4.38Å; V494-L498 WeakPolarHBondContact O-CB 3.42Å; V494-L498 VanDerWaalsContact O-CG 3.3Å; V494-L498 WeakPolarHBondContact O-CG 3.22Å; V494-L498 PolarHBondContact O-N 3.36Å; R495-L498 PolarHBondContact O-N 3.33Å; Q496-L498 VanDerWaalsContact C-N 3.35Å; Q496-L498 PolarHBondContact O-N 3.41Å; L498-I500 VanDerWaalsContact C-N 3.31Å; L498-I500 PolarHBondContact O-N 3.29Å; L498-V501 PolarHBondContact O-N 3.48Å; L498-K502 WeakPolarHBondContact O-CB 3.21Å; L498-K502 PolarHBondContact O-N 3.04Å; L498-L521 HydrophobicContact CD2-CD1 3.95Å; L498-F535 HydrophobicContact CD1-CD2 4.32Å; L498-F535 HydrophobicContact CD2-CD2 3.79Å; L498-F535 HydrophobicContact CD2-CE2 3.63Å; L498-N538 HydrophobicContact CD1-CB 3.51Å; L498-L543 HydrophobicContact CB-CD2 4.19Å; L498-L543 HydrophobicContact CD2-CD2 4.04Å; L498-L543 VanDerWaalsContact O-CD2 3.28Å; L498-L543 WeakPolarHBondContact O-CD2 3.49Å; L498-F544 HydrophobicContact CD2-CE2 3.89Å
499Q94Very high90.6Very high102 Ų10257.2 Ų57.248%0.47728%0.28SS..Hα-helixtrans-62.2-39.4173.9-177174.4-11.400111.8R495 Q496 L497 K502 Q503R495-Q499 PolarHBondContact O-N 2.97Å; Q496-Q499 WeakPolarHBondContact O-CB 3.28Å; Q496-Q499 PolarHBondContact O-N 2.92Å; L497-Q499 VanDerWaalsContact C-N 3.33Å; L497-Q499 PolarHBondContact O-N 3.35Å; Q499-K502 PolarHBondContact O-N 3.28Å; Q499-Q503 WeakPolarHBondContact O-CB 3.48Å; Q499-Q503 PolarHBondContact O-N 2.93Å
500I93.6Very high91.4Very high6 Ų655.7 Ų55.73%0.03127%0.271CS..Hα-helixtrans-64.4-46.7175.2-63.4167000110.4L456 Q465 V469 Q496 L497 L498 K502 Q503 K504 T513 T517L456-I500 HydrophobicContact CD1-CD1 4.05Å; L456-I500 HydrophobicContact CD2-CD1 4.32Å; Q465-I500 HydrophobicContact CG-CD1 3.77Å; Q465-I500 HydrophobicContact CG-CG1 4.4Å; V469-I500 HydrophobicContact CG1-CD1 4.01Å; Q496-I500 WeakPolarHBondContact O-CG1 3.2Å; Q496-I500 PolarHBondContact O-N 3.4Å; Q496-I500 VanDerWaalsContact O-N 3.07Å; L497-I500 WeakPolarHBondContact O-CB 3.37Å; L497-I500 PolarHBondContact O-N 2.94Å; L498-I500 VanDerWaalsContact C-N 3.31Å; L498-I500 PolarHBondContact O-N 3.29Å; I500-K502 VanDerWaalsContact C-N 3.34Å; I500-K502 PolarHBondContact O-N 2.78Å; I500-Q503 PolarHBondContact O-N 3.31Å; I500-K504 HydrophobicContact CG2-CG 4.31Å; I500-K504 WeakPolarHBondContact O-CB 3.36Å; I500-K504 VanDerWaalsContact O-CG 3.31Å; I500-K504 WeakPolarHBondContact O-CG 3.21Å; I500-K504 PolarHBondContact O-N 3.16Å; I500-T513 HydrophobicContact CG2-CG2 4.06Å; I500-T517 HydrophobicContact CB-CG2 4.08Å; I500-T517 HydrophobicContact CG2-CG2 4.11Å; I500-T517 WeakPolarHBondContact CG2-OG1 3.37Å
501V96.8Very high92Very high0 Ų054.5 Ų54.50%027%0.267CS..Hα-helixtrans-56.7-49.8175.4175.80000110L497 L498 Q503 K504 T505 L514 T517 L518 L521 L543 F544 V547L497-V501 WeakPolarHBondContact O-CG2 3.45Å; L497-V501 PolarHBondContact O-N 2.72Å; L498-V501 PolarHBondContact O-N 3.48Å; V501-Q503 PolarHBondContact O-N 2.91Å; V501-K504 PolarHBondContact O-N 2.75Å; V501-T505 WeakPolarHBondContact O-CB 3.38Å; V501-T505 PolarHBondContact O-N 2.64Å; V501-T505 PolarHBondContact O-OG1 2.96Å; V501-L514 HydrophobicContact CB-CD1 4.47Å; V501-L514 HydrophobicContact CG1-CD1 4.18Å; V501-L514 HydrophobicContact CG2-CD1 4.36Å; V501-T517 HydrophobicContact CG2-CG2 3.58Å; V501-L518 HydrophobicContact CG1-CD2 4.25Å; V501-L518 HydrophobicContact CG2-CD2 3.94Å; V501-L518 HydrophobicContact CG2-CG 4.48Å; V501-L521 HydrophobicContact CG2-CD1 3.95Å; V501-L543 HydrophobicContact CB-CD2 4.04Å; V501-L543 HydrophobicContact CG1-CD1 4.43Å; V501-L543 HydrophobicContact CG1-CD2 3.98Å; V501-L543 HydrophobicContact CG1-CG 4.12Å; V501-F544 HydrophobicContact CG1-CE2 4.2Å; V501-V547 HydrophobicContact CG1-CG2 3.64Å
502K96.6Very high92.8Very high94 Ų9454 Ų5441%0.40927%0.267SS..Hα-helixtrans-57.6-45.6178.5-174.2175.8-178.1176.40112.7L498 Q499 I500 N506 L543L498-K502 WeakPolarHBondContact O-CB 3.21Å; L498-K502 PolarHBondContact O-N 3.04Å; Q499-K502 PolarHBondContact O-N 3.28Å; I500-K502 VanDerWaalsContact C-N 3.34Å; I500-K502 PolarHBondContact O-N 2.78Å; K502-N506 WeakPolarHBondContact O-CB 3.48Å; K502-N506 PolarHBondContact O-N 3.07Å; K502-N506 PolarHBondContact O-ND2 2.91Å; K502-N506 PolarHBondContact O-OD1 3.18Å; K502-L543 HydrophobicContact CB-CD1 3.82Å; K502-L543 HydrophobicContact CB-CD2 4.01Å; K502-L543 HydrophobicContact CG-CD1 4.15Å
503Q94Very high93.2Very high70 Ų7050.5 Ų50.533%0.32725%0.253SS..Hα-helixtrans-61.5-45.6177.6-177.9-177.7-1.100111.6Q499 I500 V501 N506 Q507Q499-Q503 WeakPolarHBondContact O-CB 3.48Å; Q499-Q503 PolarHBondContact O-N 2.93Å; I500-Q503 PolarHBondContact O-N 3.31Å; V501-Q503 PolarHBondContact O-N 2.91Å; Q503-N506 PolarHBondContact O-N 2.9Å; Q503-Q507 WeakPolarHBondContact O-CG 3.4Å; Q503-Q507 PolarHBondContact O-N 3.45Å
504K94.1Very high93.7Very high18 Ų1850.2 Ų50.28%0.07825%0.251CS..Hα-helixtrans-70.7-40.1-177.9-68.6-69175-178.50112.8I500 V501 N506 Q507 N508 D511 L514I500-K504 HydrophobicContact CG2-CG 4.31Å; I500-K504 WeakPolarHBondContact O-CB 3.36Å; I500-K504 VanDerWaalsContact O-CG 3.31Å; I500-K504 WeakPolarHBondContact O-CG 3.21Å; I500-K504 PolarHBondContact O-N 3.16Å; V501-K504 PolarHBondContact O-N 2.75Å; K504-N506 VanDerWaalsContact C-N 3.35Å; K504-N506 PolarHBondContact O-N 3.27Å; K504-Q507 WeakPolarHBondContact O-CB 3.25Å; K504-Q507 PolarHBondContact O-N 3.14Å; K504-Q507 VanDerWaalsContact O-N 3.16Å; K504-N508 PolarHBondContact O-N 2.87Å; K504-D511 WeakPolarHBondContact CE-OD2 3.33Å; K504-D511 IonicContact NZ-OD2 3.44Å; K504-D511 PolarHBondContact NZ-OD2 3.18Å; K504-L514 HydrophobicContact CB-CB 4.08Å; K504-L514 HydrophobicContact CB-CD1 4.06Å; K504-L514 HydrophobicContact CB-CD2 4.45Å; K504-L514 HydrophobicContact CB-CG 4.41Å; K504-L514 HydrophobicContact CG-CB 4.32Å
505T95.9Very high94Very high7 Ų753.5 Ų53.54%0.04327%0.265CS..Hα-helixtrans-61.7-42.9173-57.10000111.3V501 Q507 N508 V547 F551V501-T505 WeakPolarHBondContact O-CB 3.38Å; V501-T505 PolarHBondContact O-N 2.64Å; V501-T505 PolarHBondContact O-OG1 2.96Å; T505-Q507 PolarHBondContact O-N 3.42Å; T505-N508 WeakPolarHBondContact O-CA 3.14Å; T505-N508 PolarHBondContact O-N 3.49Å; T505-V547 HydrophobicContact CG2-CG2 4.18Å; T505-V547 VanDerWaalsContact OG1-CG2 3.3Å; T505-V547 WeakPolarHBondContact OG1-CG2 3.12Å; T505-F551 HydrophobicContact CG2-CE2 4.12Å
506N95.5Very high94.2Very high117 Ų11749.7 Ų49.763%0.62625%0.253SS*.Hα-helixtrans-64.6-25.5176.2-70.7-12.5000113.5K502 Q503 K504K502-N506 WeakPolarHBondContact O-CB 3.48Å; K502-N506 PolarHBondContact O-N 3.07Å; K502-N506 PolarHBondContact O-ND2 2.91Å; K502-N506 PolarHBondContact O-OD1 3.18Å; Q503-N506 PolarHBondContact O-N 2.9Å; K504-N506 VanDerWaalsContact C-N 3.35Å; K504-N506 PolarHBondContact O-N 3.27Å
507Q94.1Very high94.4Very high95 Ų9547.3 Ų47.344%0.44424%0.242SC..THydrogen-bonded Turntrans-78.8-6.8173.2-71172-5.100112.8Q503 K504 T505 S509Q503-Q507 WeakPolarHBondContact O-CG 3.4Å; Q503-Q507 PolarHBondContact O-N 3.45Å; K504-Q507 WeakPolarHBondContact O-CB 3.25Å; K504-Q507 PolarHBondContact O-N 3.14Å; K504-Q507 VanDerWaalsContact O-N 3.16Å; T505-Q507 PolarHBondContact O-N 3.42Å; Q507-S509 PolarHBondContact O-N 3.16Å
508N91.5Very high94.6Very high110 Ų11047.3 Ų47.359%0.58824%0.242SC*.THydrogen-bonded Turntrans48.538.6-177.4-156.233.5000113.6K504 T505K504-N508 PolarHBondContact O-N 2.87Å; T505-N508 WeakPolarHBondContact O-CA 3.14Å; T505-N508 PolarHBondContact O-N 3.49Å
509S87.9Confident94.6Very high61 Ų6148.3 Ų48.343%0.42725%0.249SC..  trans-131.6126.6-176.7-178.50000110.6Q507Q507-S509 PolarHBondContact O-N 3.16Å
510V92.1Very high94.7Very high43 Ų4343.4 Ų43.426%0.26123%0.226SC..  trans-88.8107.1174.6176.70000109K515 F551 E554 I557V510-K515 VanDerWaalsContact CG1-CE 3.5Å; V510-F551 HydrophobicContact CG2-CD1 3.59Å; V510-F551 HydrophobicContact CG2-CE1 3.68Å; V510-F551 HydrophobicContact CG2-CG 4.08Å; V510-F551 HydrophobicContact CG2-CZ 4.22Å; V510-E554 HydrophobicContact CG2-CG 4.03Å; V510-I557 HydrophobicContact CG1-CD1 3.96Å; V510-I557 HydrophobicContact CG1-CG1 3.93Å; V510-I557 HydrophobicContact CG2-CG1 4.15Å
511D92.9Very high94.8Very high44 Ų4443.2 Ų43.224%0.23523%0.225CC..  trans-119.9174.1174.171.811.2000112.3K504 T513 L514 K515K504-D511 WeakPolarHBondContact CE-OD2 3.33Å; K504-D511 IonicContact NZ-OD2 3.44Å; K504-D511 PolarHBondContact NZ-OD2 3.18Å; D511-T513 PolarHBondContact O-N 3.35Å; D511-T513 WeakPolarHBondContact OD1-CA 3.44Å; D511-T513 VanDerWaalsContact OD1-CB 3.31Å; D511-T513 WeakPolarHBondContact OD1-CB 3.36Å; D511-T513 PolarHBondContact OD1-N 3.47Å; D511-L514 PolarHBondContact O-N 3.05Å; D511-L514 PolarHBondContact OD1-N 2.93Å; D511-K515 PolarHBondContact O-N 3.49Å
512T93.2Very high94.8Very high69 Ų6945 Ų4542%0.42323%0.232SC..Hα-helixtrans-60.7-32177.451.80000112.3K515 F516T512-K515 PolarHBondContact O-N 2.86Å; T512-F516 WeakPolarHBondContact O-CB 3.37Å; T512-F516 WeakPolarHBondContact O-CD2 3.24Å; T512-F516 WeakPolarHBondContact O-CG 3.5Å; T512-F516 PolarHBondContact O-N 3.31Å
513T94.6Very high94.6Very high7 Ų742.2 Ų42.24%0.04322%0.222CC..Hα-helixtrans-65.5-47.3-179.9-55.90000110.2R466 V469 I500 D511 K515 F516 T517R466-T513 WeakPolarHBondContact CB-OG1 3.33Å; R466-T513 WeakPolarHBondContact CG-OG1 3.1Å; V469-T513 HydrophobicContact CG2-CG2 4.1Å; I500-T513 HydrophobicContact CG2-CG2 4.06Å; D511-T513 PolarHBondContact O-N 3.35Å; D511-T513 WeakPolarHBondContact OD1-CA 3.44Å; D511-T513 VanDerWaalsContact OD1-CB 3.31Å; D511-T513 WeakPolarHBondContact OD1-CB 3.36Å; D511-T513 PolarHBondContact OD1-N 3.47Å; T513-K515 PolarHBondContact O-N 3.03Å; T513-F516 PolarHBondContact O-N 3.31Å; T513-T517 WeakPolarHBondContact O-CB 3.37Å; T513-T517 PolarHBondContact O-N 2.88Å; T513-T517 PolarHBondContact O-OG1 3.15Å
514L96.4Very high94.6Very high0 Ų039 Ų390%021%0.207CC..Hα-helixtrans-58.4-47.7174.417859.7000111.2V501 K504 D511 F516 T517 L518 F551 I557V501-L514 HydrophobicContact CB-CD1 4.47Å; V501-L514 HydrophobicContact CG1-CD1 4.18Å; V501-L514 HydrophobicContact CG2-CD1 4.36Å; K504-L514 HydrophobicContact CB-CB 4.08Å; K504-L514 HydrophobicContact CB-CD1 4.06Å; K504-L514 HydrophobicContact CB-CD2 4.45Å; K504-L514 HydrophobicContact CB-CG 4.41Å; K504-L514 HydrophobicContact CG-CB 4.32Å; D511-L514 PolarHBondContact O-N 3.05Å; D511-L514 PolarHBondContact OD1-N 2.93Å; L514-F516 PolarHBondContact O-N 3.2Å; L514-T517 PolarHBondContact O-N 3.29Å; L514-L518 HydrophobicContact CD1-CD1 3.96Å; L514-L518 HydrophobicContact CD1-CG 4.06Å; L514-L518 HydrophobicContact CG-CD1 4.03Å; L514-L518 WeakPolarHBondContact O-CG 3.44Å; L514-L518 PolarHBondContact O-N 3.44Å; L514-F551 HydrophobicContact CD2-CE2 3.94Å; L514-F551 HydrophobicContact CD2-CZ 4.28Å; L514-I557 HydrophobicContact CD2-CD1 4.04Å; L514-I557 HydrophobicContact CG-CD1 4.1Å
515K97.2Very high94.6Very high72 Ų7238.3 Ų38.331%0.31320%0.204SC..Hα-helixtrans-58.8-46.8179.3-71.1-177.2-179.7-173.90112.2V510 D511 T512 T513 L518 S519 S556 I557V510-K515 VanDerWaalsContact CG1-CE 3.5Å; D511-K515 PolarHBondContact O-N 3.49Å; T512-K515 PolarHBondContact O-N 2.86Å; T513-K515 PolarHBondContact O-N 3.03Å; K515-L518 PolarHBondContact O-N 2.96Å; K515-S519 WeakPolarHBondContact O-CB 3.32Å; K515-S519 PolarHBondContact O-N 3.45Å; K515-S519 PolarHBondContact O-OG 3.12Å; K515-S556 WeakPolarHBondContact CE-OG 3.34Å; K515-S556 PolarHBondContact NZ-OG 3.17Å; K515-I557 HydrophobicContact CG-CD1 3.73Å
516F96.1Very high94.4Very high71 Ų7139.1 Ų39.131%0.31121%0.208SC..Hα-helixtrans-67.8-39.2178.3-71.2-47.6000112.7V469 A470 S473 T512 T513 L514 S519 A520V469-F516 HydrophobicContact CB-CB 4.26Å; V469-F516 HydrophobicContact CG2-CB 3.75Å; A470-F516 HydrophobicContact CB-CD1 4.37Å; A470-F516 HydrophobicContact CB-CD2 3.69Å; A470-F516 HydrophobicContact CB-CE1 4.44Å; A470-F516 HydrophobicContact CB-CE2 3.78Å; A470-F516 HydrophobicContact CB-CG 4.02Å; A470-F516 HydrophobicContact CB-CZ 4.17Å; S473-F516 WeakPolarHBondContact OG-CD1 3.39Å; T512-F516 WeakPolarHBondContact O-CB 3.37Å; T512-F516 WeakPolarHBondContact O-CD2 3.24Å; T512-F516 WeakPolarHBondContact O-CG 3.5Å; T512-F516 PolarHBondContact O-N 3.31Å; T513-F516 PolarHBondContact O-N 3.31Å; L514-F516 PolarHBondContact O-N 3.2Å; F516-S519 PolarHBondContact O-N 3.13Å; F516-A520 WeakPolarHBondContact O-CB 3.41Å; F516-A520 PolarHBondContact O-N 3Å
517T96.4Very high94.1Very high0 Ų036.5 Ų36.50%019%0.192CC..Hα-helixtrans-62.7-43.3176.5-590000111.5L497 I500 V501 T513 L514 A520 L521L497-T517 HydrophobicContact CB-CG2 4.04Å; L497-T517 HydrophobicContact CD2-CG2 4Å; L497-T517 VanDerWaalsContact O-CG2 3.26Å; L497-T517 WeakPolarHBondContact O-CG2 3.08Å; I500-T517 HydrophobicContact CB-CG2 4.08Å; I500-T517 HydrophobicContact CG2-CG2 4.11Å; I500-T517 WeakPolarHBondContact CG2-OG1 3.37Å; V501-T517 HydrophobicContact CG2-CG2 3.58Å; T513-T517 WeakPolarHBondContact O-CB 3.37Å; T513-T517 PolarHBondContact O-N 2.88Å; T513-T517 PolarHBondContact O-OG1 3.15Å; L514-T517 PolarHBondContact O-N 3.29Å; T517-A520 PolarHBondContact O-N 2.84Å; T517-L521 HydrophobicContact CG2-CD1 4.48Å; T517-L521 PolarHBondContact O-N 3.38Å
518L98.1Very high93.9Very high1 Ų132.1 Ų32.11%0.00517%0.172CC..Hα-helixtrans-64.7-43.1175.6-68.5171.5000111.6V501 L514 K515 A520 L521 W522 F544 I557 K560 V561V501-L518 HydrophobicContact CG1-CD2 4.25Å; V501-L518 HydrophobicContact CG2-CD2 3.94Å; V501-L518 HydrophobicContact CG2-CG 4.48Å; L514-L518 HydrophobicContact CD1-CD1 3.96Å; L514-L518 HydrophobicContact CD1-CG 4.06Å; L514-L518 HydrophobicContact CG-CD1 4.03Å; L514-L518 WeakPolarHBondContact O-CG 3.44Å; L514-L518 PolarHBondContact O-N 3.44Å; K515-L518 PolarHBondContact O-N 2.96Å; L518-A520 VanDerWaalsContact C-N 3.34Å; L518-A520 PolarHBondContact O-N 3.11Å; L518-L521 PolarHBondContact O-N 3.16Å; L518-W522 WeakPolarHBondContact O-CB 3.38Å; L518-W522 PolarHBondContact O-N 2.72Å; L518-F544 HydrophobicContact CD2-CE1 4.09Å; L518-F544 HydrophobicContact CD2-CE2 4.07Å; L518-F544 HydrophobicContact CD2-CZ 3.55Å; L518-I557 HydrophobicContact CD1-CD1 3.76Å; L518-I557 HydrophobicContact CD1-CG2 3.89Å; L518-K560 HydrophobicContact CB-CB 3.83Å; L518-K560 HydrophobicContact CB-CD 4.04Å; L518-V561 HydrophobicContact CD1-CG2 4.29Å; L518-V561 HydrophobicContact CD2-CG2 4.03Å
519S96.3Very high94Very high27 Ų2729.7 Ų29.719%0.18916%0.162CC..Hα-helixtrans-62-39.3174.3-75.80000112.9K515 F516 N523 K560K515-S519 WeakPolarHBondContact O-CB 3.32Å; K515-S519 PolarHBondContact O-N 3.45Å; K515-S519 PolarHBondContact O-OG 3.12Å; F516-S519 PolarHBondContact O-N 3.13Å; S519-N523 WeakPolarHBondContact O-CB 3.47Å; S519-N523 PolarHBondContact O-N 2.88Å; S519-N523 PolarHBondContact O-ND2 2.68Å; S519-K560 WeakPolarHBondContact OG-CD 3.48Å; S519-K560 WeakPolarHBondContact OG-CE 3.45Å
520A95.2Very high94.2Very high0 Ų029.3 Ų29.30%016%0.157CC..Hα-helixtrans-62-50.1174.800000111.2I472 L497 F516 T517 L518 W522 N523 L524I472-A520 HydrophobicContact CG2-CB 3.79Å; L497-A520 HydrophobicContact CD1-CB 4.34Å; F516-A520 WeakPolarHBondContact O-CB 3.41Å; F516-A520 PolarHBondContact O-N 3Å; T517-A520 PolarHBondContact O-N 2.84Å; L518-A520 VanDerWaalsContact C-N 3.34Å; L518-A520 PolarHBondContact O-N 3.11Å; A520-W522 PolarHBondContact O-N 3.32Å; A520-N523 PolarHBondContact O-N 2.86Å; A520-L524 WeakPolarHBondContact O-CB 3.33Å; A520-L524 WeakPolarHBondContact O-CD1 3.04Å; A520-L524 WeakPolarHBondContact O-CG 3.46Å; A520-L524 PolarHBondContact O-N 3.21Å
521L96.1Very high94.2Very high1 Ų127.3 Ų27.31%0.00515%0.145CC..Hα-helixtrans-58.4-47.2177.6-77.4168.7000111.5V494 L497 L498 V501 T517 L518 N523 L524 T525 F544 L564V494-L521 HydrophobicContact CG1-CD2 4.33Å; L497-L521 HydrophobicContact CB-CD1 4.14Å; L497-L521 HydrophobicContact CB-CD2 3.74Å; L497-L521 HydrophobicContact CB-CG 3.85Å; L497-L521 HydrophobicContact CD1-CD2 3.88Å; L497-L521 HydrophobicContact CD1-CG 4.08Å; L497-L521 HydrophobicContact CG-CD2 4.49Å; L498-L521 HydrophobicContact CD2-CD1 3.95Å; V501-L521 HydrophobicContact CG2-CD1 3.95Å; T517-L521 HydrophobicContact CG2-CD1 4.48Å; T517-L521 PolarHBondContact O-N 3.38Å; L518-L521 PolarHBondContact O-N 3.16Å; L521-N523 PolarHBondContact O-N 3.44Å; L521-L524 PolarHBondContact O-N 3.28Å; L521-L524 VanDerWaalsContact O-N 3.13Å; L521-T525 WeakPolarHBondContact O-CG2 3.47Å; L521-T525 PolarHBondContact O-N 3.43Å; L521-T525 PolarHBondContact O-OG1 3.31Å; L521-F544 HydrophobicContact CD1-CE2 4.18Å; L521-F544 HydrophobicContact CD1-CZ 3.87Å; L521-L564 HydrophobicContact CB-CD1 3.52Å
522W96Very high94.4Very high39 Ų3925.2 Ų25.215%0.14813%0.134CC..Hα-helixtrans-56.8-50.8178.4-179.39.8000111.5L518 A520 L524 T525 D526 K560 G563 L564 N567 F601 V646L518-W522 WeakPolarHBondContact O-CB 3.38Å; L518-W522 PolarHBondContact O-N 2.72Å; A520-W522 PolarHBondContact O-N 3.32Å; W522-L524 VanDerWaalsContact C-N 3.26Å; W522-L524 PolarHBondContact O-N 3.46Å; W522-T525 PolarHBondContact O-N 3.15Å; W522-T525 PolarHBondContact O-OG1 3.43Å; W522-D526 PolarHBondContact O-N 2.87Å; W522-K560 HydrophobicContact CE3-CB 4.21Å; W522-K560 HydrophobicContact CE3-CG 4.09Å; W522-K560 HydrophobicContact CZ3-CG 4.21Å; W522-G563 PolarHBondContact NE1-O 3.4Å; W522-L564 HydrophobicContact CB-CB 4.24Å; W522-N567 PolarHBondContact O-ND2 3.45Å; W522-F601 HydrophobicContact CH2-CE1 4.14Å; W522-F601 AromaticContact CH2-CE2 3.81Å; W522-F601 HydrophobicContact CH2-CE2 3.81Å; W522-F601 AromaticContact CH2-CZ 3.38Å; W522-F601 HydrophobicContact CH2-CZ 3.38Å; W522-F601 AromaticContact CZ2-CE1 3.67Å; W522-F601 HydrophobicContact CZ2-CE1 3.67Å; W522-F601 HydrophobicContact CZ2-CE2 4.2Å; W522-F601 AromaticContact CZ2-CZ 3.36Å; W522-F601 HydrophobicContact CZ2-CZ 3.36Å; W522-V646 HydrophobicContact CZ2-CG2 4.21Å
523N94.1Very high94.4Very high35 Ų3526.5 Ų26.519%0.18713%0.131CC..Hα-helixtrans-65.1-26.1178.6-74.9-37.5000113.8S473 A476 T484 S519 A520 L521 R649S473-N523 PolarHBondContact O-ND2 3.16Å; S473-N523 VanDerWaalsContact O-ND2 3.09Å; A476-N523 HydrophobicContact CB-CB 3.66Å; T484-N523 WeakPolarHBondContact CG2-O 3.41Å; S519-N523 WeakPolarHBondContact O-CB 3.47Å; S519-N523 PolarHBondContact O-N 2.88Å; S519-N523 PolarHBondContact O-ND2 2.68Å; A520-N523 PolarHBondContact O-N 2.86Å; L521-N523 PolarHBondContact O-N 3.44Å; N523-R649 PolarHBondContact O-NH2 3.45Å
524L93.6Very high94.4Very high3 Ų327.6 Ų27.62%0.01614%0.135CC..Hα-helixtrans-82.1-29.4178.2-71.1167.8000113M453 A476 T484 L487 L497 A520 L521 W522 D526 T531M453-L524 HydrophobicContact CE-CD1 4.07Å; M453-L524 HydrophobicContact CE-CD2 3.7Å; M453-L524 HydrophobicContact CE-CG 4.46Å; A476-L524 HydrophobicContact CB-CD2 4.11Å; A476-L524 HydrophobicContact CB-CG 4.24Å; T484-L524 HydrophobicContact CG2-CD2 4.43Å; L487-L524 HydrophobicContact CB-CD2 4.39Å; L497-L524 HydrophobicContact CD1-CD1 3.66Å; A520-L524 WeakPolarHBondContact O-CB 3.33Å; A520-L524 WeakPolarHBondContact O-CD1 3.04Å; A520-L524 WeakPolarHBondContact O-CG 3.46Å; A520-L524 PolarHBondContact O-N 3.21Å; L521-L524 PolarHBondContact O-N 3.28Å; L521-L524 VanDerWaalsContact O-N 3.13Å; W522-L524 VanDerWaalsContact C-N 3.26Å; W522-L524 PolarHBondContact O-N 3.46Å; L524-D526 VanDerWaalsContact C-N 3.34Å; L524-T531 HydrophobicContact CB-CG2 4.26Å
525T93.7Very high94.4Very high2 Ų227.6 Ų27.61%0.01214%0.135CC..Hα-helixtrans-80-16.5175.848.80000113.6L521 W522 E527 S528 T531 C532 L564L521-T525 WeakPolarHBondContact O-CG2 3.47Å; L521-T525 PolarHBondContact O-N 3.43Å; L521-T525 PolarHBondContact O-OG1 3.31Å; W522-T525 PolarHBondContact O-N 3.15Å; W522-T525 PolarHBondContact O-OG1 3.43Å; T525-E527 PolarHBondContact O-N 3.32Å; T525-S528 PolarHBondContact O-N 2.81Å; T525-T531 HydrophobicContact CG2-CG2 4.14Å; T525-C532 PolarHBondContact O-SG 3.04Å; T525-C532 VanDerWaalsContact O-SG 3.34Å; T525-L564 HydrophobicContact CG2-CD1 3.95Å; T525-L564 HydrophobicContact CG2-CG 4.08Å
526D92.5Very high94.4Very high24 Ų2425.3 Ų25.313%0.12813%0.126CC..THydrogen-bonded Turntrans-61.4120.8-179-164.622.6000112.3W522 L524 S528 N567 R649W522-D526 PolarHBondContact O-N 2.87Å; L524-D526 VanDerWaalsContact C-N 3.34Å; D526-S528 PolarHBondContact O-N 3.48Å; D526-S528 VanDerWaalsContact O-N 3.09Å; D526-N567 VanDerWaalsContact CA-ND2 3.27Å; D526-N567 WeakPolarHBondContact CA-ND2 3.47Å; D526-N567 PolarHBondContact N-ND2 3.39Å; D526-R649 WeakPolarHBondContact OD2-CD 3.48Å; D526-R649 WeakPolarHBondContact OD2-CG 3.08Å; D526-R649 IonicContact OD2-CZ 3.73Å; D526-R649 IonicContact OD2-NE 2.69Å; D526-R649 PolarHBondContact OD2-NE 3.07Å; D526-R649 IonicContact OD2-NH2 3.89Å
527E87.7Confident94.3Very high63 Ų6327.4 Ų27.429%0.29414%0.137SC..THydrogen-bonded Turntrans4930.3-174.1-61.6-173.5-120.600114.6T481 T525 S650T481-E527 HydrophobicContact CG2-CB 3.89Å; T481-E527 HydrophobicContact CG2-CG 4.25Å; T525-E527 PolarHBondContact O-N 3.32Å; E527-S650 VanDerWaalsContact OE1-CB 3.24Å; E527-S650 WeakPolarHBondContact OE1-CB 3.31Å
528S91.5Very high94.3Very high3 Ų329.5 Ų29.52%0.02115%0.148CC..  trans-126.785-179-173.90000112.8T525 D526 T530 T531 C532T525-S528 PolarHBondContact O-N 2.81Å; D526-S528 PolarHBondContact O-N 3.48Å; D526-S528 VanDerWaalsContact O-N 3.09Å; S528-T530 PolarHBondContact O-N 3.48Å; S528-T531 PolarHBondContact O-N 3.26Å; S528-T531 WeakPolarHBondContact OG-CB 2.95Å; S528-T531 PolarHBondContact OG-N 3.44Å; S528-T531 PolarHBondContact OG-OG1 3.27Å; S528-C532 PolarHBondContact O-N 3.18Å; S528-C532 PolarHBondContact O-SG 3.07Å; S528-C532 VanDerWaalsContact O-SG 3.4Å
529P92.9Very high94.2Very high58 Ų5835 Ų3538%0.37717%0.174SC..Hα-helixtrans-54.6-37.2178.5-28.836.2000114.2C532 R533 V571P529-C532 PolarHBondContact O-N 3.47Å; P529-R533 WeakPolarHBondContact O-CB 3.19Å; P529-R533 PolarHBondContact O-N 2.87Å; P529-V571 HydrophobicContact CB-CG1 3.9Å; P529-V571 HydrophobicContact CB-CG2 4.27Å; P529-V571 HydrophobicContact CG-CG2 4.37Å
530T92.2Very high94.3Very high53 Ų5333.7 Ų33.733%0.32517%0.165SC..Hα-helixtrans-63.9-42.7177.7-55.80000111.6T489 S528 R533 H534T489-T530 HydrophobicContact CG2-CG2 4.11Å; S528-T530 PolarHBondContact O-N 3.48Å; T530-R533 WeakPolarHBondContact O-CB 3.47Å; T530-R533 PolarHBondContact O-N 2.94Å; T530-H534 PolarHBondContact O-N 2.9Å
531T92.9Very high94.4Very high1 Ų134.1 Ų34.11%0.00617%0.167CC..Hα-helixtrans-70.4-39.9178.9-51.20000111.7G488 V494 L524 T525 S528 R533 H534 F535G488-T531 VanDerWaalsContact C-OG1 3.27Å; G488-T531 WeakPolarHBondContact CA-OG1 3.49Å; G488-T531 PolarHBondContact O-OG1 3.48Å; G488-T531 VanDerWaalsContact O-OG1 3.13Å; V494-T531 HydrophobicContact CG2-CG2 3.76Å; L524-T531 HydrophobicContact CB-CG2 4.26Å; T525-T531 HydrophobicContact CG2-CG2 4.14Å; S528-T531 PolarHBondContact O-N 3.26Å; S528-T531 WeakPolarHBondContact OG-CB 2.95Å; S528-T531 PolarHBondContact OG-N 3.44Å; S528-T531 PolarHBondContact OG-OG1 3.27Å; T531-R533 VanDerWaalsContact C-N 3.28Å; T531-R533 PolarHBondContact O-N 2.83Å; T531-H534 PolarHBondContact O-N 3.41Å; T531-F535 PolarHBondContact O-N 2.91Å
532C95.6Very high94.5Very high0 Ų038 Ų380%019%0.185CC..Hα-helixtrans-58.6-41.5171.8-65.60000111.3T525 S528 P529 F535 I536 I568 V571 L574T525-C532 PolarHBondContact O-SG 3.04Å; T525-C532 VanDerWaalsContact O-SG 3.34Å; S528-C532 PolarHBondContact O-N 3.18Å; S528-C532 PolarHBondContact O-SG 3.07Å; S528-C532 VanDerWaalsContact O-SG 3.4Å; P529-C532 PolarHBondContact O-N 3.47Å; C532-F535 WeakPolarHBondContact O-CB 3.48Å; C532-F535 PolarHBondContact O-N 3.34Å; C532-I536 PolarHBondContact O-N 3.33Å; C532-I536 VanDerWaalsContact O-N 3.13Å; C532-I568 HydrophobicContact CB-CG1 4.08Å; C532-V571 HydrophobicContact CB-CG2 3.97Å; C532-L574 HydrophobicContact CB-CD1 3.46Å; C532-L574 VanDerWaalsContact CB-CD1 3.46Å
533R94.6Very high94.6Very high96 Ų9636.7 Ų36.736%0.36218%0.181SC..Hα-helixtrans-62.7-47.8175.3-174-176.9-61.7132.94.6111.5P529 T530 T531 F535 I536 E537 L574P529-R533 WeakPolarHBondContact O-CB 3.19Å; P529-R533 PolarHBondContact O-N 2.87Å; T530-R533 WeakPolarHBondContact O-CB 3.47Å; T530-R533 PolarHBondContact O-N 2.94Å; T531-R533 VanDerWaalsContact C-N 3.28Å; T531-R533 PolarHBondContact O-N 2.83Å; R533-F535 PolarHBondContact O-N 3.39Å; R533-I536 PolarHBondContact O-N 2.94Å; R533-I536 VanDerWaalsContact O-N 3.1Å; R533-E537 WeakPolarHBondContact CD-OE1 3.21Å; R533-E537 HydrophobicContact CG-CG 4.25Å; R533-E537 WeakPolarHBondContact CG-OE1 3.4Å; R533-E537 WeakPolarHBondContact O-CG 3.29Å; R533-E537 PolarHBondContact O-N 3.32Å; R533-L574 HydrophobicContact CB-CD2 4.3Å; R533-L574 HydrophobicContact CG-CD2 4.39Å
534H93.8Very high94.8Very high30 Ų3035 Ų3514%0.13917%0.172CC..Hα-helixtrans-61.2-33.7177-70.2-24.6000113L491 V494 T530 T531 E537 N538L491-H534 HydrophobicContact CD1-CB 3.82Å; V494-H534 HydrophobicContact CG2-CB 4.45Å; T530-H534 PolarHBondContact O-N 2.9Å; T531-H534 PolarHBondContact O-N 3.41Å; H534-E537 IonicContact CE1-OE2 3.92Å; H534-E537 IonicContact CG-OE2 3.58Å; H534-E537 IonicContact ND1-OE2 3.33Å; H534-E537 PolarHBondContact ND1-OE2 3.07Å; H534-N538 WeakPolarHBondContact O-CB 3.46Å; H534-N538 PolarHBondContact O-N 3.08Å; H534-N538 PolarHBondContact O-ND2 3.2Å
535F96.2Very high95Very high1 Ų135.1 Ų35.10%0.00417%0.172CC..Hα-helixtrans-60.8-48.8172.2172.8-83.9000111.4V494 L498 T531 C532 R533 N538 G540 F544 L564 I568V494-F535 HydrophobicContact CG1-CB 4.31Å; L498-F535 HydrophobicContact CD1-CD2 4.32Å; L498-F535 HydrophobicContact CD2-CD2 3.79Å; L498-F535 HydrophobicContact CD2-CE2 3.63Å; T531-F535 PolarHBondContact O-N 2.91Å; C532-F535 WeakPolarHBondContact O-CB 3.48Å; C532-F535 PolarHBondContact O-N 3.34Å; R533-F535 PolarHBondContact O-N 3.39Å; F535-N538 PolarHBondContact O-N 3.21Å; F535-G540 VanDerWaalsContact CZ-CA 3.48Å; F535-G540 WeakPolarHBondContact CZ-O 3.35Å; F535-G540 WeakPolarHBondContact O-CA 3.42Å; F535-G540 PolarHBondContact O-N 3.08Å; F535-F544 HydrophobicContact CE2-CD1 4.1Å; F535-F544 AromaticContact CE2-CD2 3.8Å; F535-F544 HydrophobicContact CE2-CD2 3.8Å; F535-F544 AromaticContact CE2-CE1 3.93Å; F535-F544 HydrophobicContact CE2-CE1 3.93Å; F535-F544 AromaticContact CE2-CE2 3.58Å; F535-F544 HydrophobicContact CE2-CE2 3.58Å; F535-F544 HydrophobicContact CE2-CG 4.1Å; F535-F544 AromaticContact CE2-CZ 3.67Å; F535-F544 HydrophobicContact CE2-CZ 3.67Å; F535-F544 HydrophobicContact CZ-CB 4.25Å; F535-F544 AromaticContact CZ-CD1 3.75Å; F535-F544 HydrophobicContact CZ-CD1 3.75Å; F535-F544 AromaticContact CZ-CD2 3.7Å; F535-F544 HydrophobicContact CZ-CD2 3.7Å; F535-F544 HydrophobicContact CZ-CE1 4.06Å; F535-F544 AromaticContact CZ-CE2 3.98Å; F535-F544 HydrophobicContact CZ-CE2 3.98Å; F535-F544 AromaticContact CZ-CG 3.62Å; F535-F544 HydrophobicContact CZ-CG 3.62Å; F535-F544 HydrophobicContact CZ-CZ 4.17Å; F535-L564 HydrophobicContact CD1-CD2 4.29Å; F535-L564 HydrophobicContact CD2-CD1 4.11Å; F535-L564 HydrophobicContact CD2-CD2 4.02Å; F535-L564 HydrophobicContact CE1-CD2 3.86Å; F535-L564 HydrophobicContact CE2-CD1 3.92Å; F535-L564 HydrophobicContact CE2-CD2 3.56Å; F535-L564 HydrophobicContact CE2-CG 4.45Å; F535-L564 HydrophobicContact CG-CD2 4.35Å; F535-L564 HydrophobicContact CZ-CD2 3.47Å; F535-L564 VanDerWaalsContact CZ-CD2 3.47Å; F535-I568 HydrophobicContact CD1-CD1 3.21Å; F535-I568 HydrophobicContact CE1-CD1 3.39Å; F535-I568 HydrophobicContact CG-CD1 3.98Å; F535-I568 HydrophobicContact CZ-CD1 4.28Å
536I96.8Very high95.2Very high24 Ų2439.6 Ų39.612%0.12319%0.189CC..Hα-helixtrans-62.5-48.5177.8-64.1-63.6000111.1C532 R533 N538 Q539 L541 I568 L574 E577C532-I536 PolarHBondContact O-N 3.33Å; C532-I536 VanDerWaalsContact O-N 3.13Å; R533-I536 PolarHBondContact O-N 2.94Å; R533-I536 VanDerWaalsContact O-N 3.1Å; I536-N538 PolarHBondContact O-N 3.08Å; I536-Q539 PolarHBondContact O-N 3.14Å; I536-L541 HydrophobicContact CD1-CB 4.01Å; I536-L541 HydrophobicContact CD1-CD2 4.46Å; I536-I568 HydrophobicContact CD1-CD1 4.28Å; I536-I568 HydrophobicContact CD1-CG2 4.24Å; I536-I568 HydrophobicContact CG1-CG2 4.41Å; I536-L574 HydrophobicContact CG1-CD1 4.3Å; I536-L574 HydrophobicContact CG1-CD2 4.42Å; I536-E577 HydrophobicContact CG2-CB 4.18Å; I536-E577 HydrophobicContact CG2-CG 4.04Å
537E94.9Very high95.5Very high114 Ų11438.4 Ų38.453%0.53318%0.183SC..Hα-helixtrans-58.2-24.9179.5-71.3169.8165.400113.3R533 H534R533-E537 WeakPolarHBondContact CD-OE1 3.21Å; R533-E537 HydrophobicContact CG-CG 4.25Å; R533-E537 WeakPolarHBondContact CG-OE1 3.4Å; R533-E537 WeakPolarHBondContact O-CG 3.29Å; R533-E537 PolarHBondContact O-N 3.32Å; H534-E537 IonicContact CE1-OE2 3.92Å; H534-E537 IonicContact CG-OE2 3.58Å; H534-E537 IonicContact ND1-OE2 3.33Å; H534-E537 PolarHBondContact ND1-OE2 3.07Å
538N95.1Very high95.9Very high45 Ų4535.5 Ų35.524%0.24117%0.169CC..THydrogen-bonded Turntrans-95.522.4176.6-76.5-88.3000113.6L491 L498 H534 F535 I536 G540L491-N538 VanDerWaalsContact CD1-ND2 3.28Å; L491-N538 WeakPolarHBondContact CD1-ND2 3.43Å; L498-N538 HydrophobicContact CD1-CB 3.51Å; H534-N538 WeakPolarHBondContact O-CB 3.46Å; H534-N538 PolarHBondContact O-N 3.08Å; H534-N538 PolarHBondContact O-ND2 3.2Å; F535-N538 PolarHBondContact O-N 3.21Å; I536-N538 PolarHBondContact O-N 3.08Å; N538-G540 PolarHBondContact O-N 3.39Å
539Q96.8Very high96.2Very high116 Ų11640.7 Ų40.754%0.54219%0.193SC..THydrogen-bonded Turntrans58.232.6-178.6-56.6171.23.500112.6I536 L541 E542 L543I536-Q539 PolarHBondContact O-N 3.14Å; Q539-L541 VanDerWaalsContact C-N 3.29Å; Q539-L541 PolarHBondContact O-N 3.05Å; Q539-E542 VanDerWaalsContact C-OE2 3.23Å; Q539-E542 WeakPolarHBondContact CA-OE2 3.4Å; Q539-L543 WeakPolarHBondContact O-CB 3.45Å; Q539-L543 PolarHBondContact O-N 3.48Å; Q539-L543 VanDerWaalsContact O-N 3.11Å
540G97.7Very high96.4Very high0 Ų040.2 Ų40.20%019%0.191CC..Hα-helixtrans-63.4-36.7-17900000111.9F535 N538 L543 F544F535-G540 VanDerWaalsContact CZ-CA 3.48Å; F535-G540 WeakPolarHBondContact CZ-O 3.35Å; F535-G540 WeakPolarHBondContact O-CA 3.42Å; F535-G540 PolarHBondContact O-N 3.08Å; N538-G540 PolarHBondContact O-N 3.39Å; G540-L543 PolarHBondContact O-N 3.5Å; G540-F544 WeakPolarHBondContact O-CB 3.35Å; G540-F544 WeakPolarHBondContact O-CD2 3.44Å; G540-F544 PolarHBondContact O-N 3.39Å
541L98.1Very high96.6Very high9 Ų938.2 Ų38.25%0.04718%0.178CC..Hα-helixtrans-64.3-49-178.7-17560.1000111.5I536 Q539 L543 F544 M545 L565 E577 L578 W580 F583I536-L541 HydrophobicContact CD1-CB 4.01Å; I536-L541 HydrophobicContact CD1-CD2 4.46Å; Q539-L541 VanDerWaalsContact C-N 3.29Å; Q539-L541 PolarHBondContact O-N 3.05Å; L541-L543 VanDerWaalsContact C-N 3.3Å; L541-L543 PolarHBondContact O-N 2.87Å; L541-F544 PolarHBondContact O-N 3.47Å; L541-M545 WeakPolarHBondContact O-CG 3.23Å; L541-M545 PolarHBondContact O-N 3.08Å; L541-L565 HydrophobicContact CD1-CD2 3.63Å; L541-E577 WeakPolarHBondContact CD2-O 3.43Å; L541-L578 HydrophobicContact CD1-CD2 3.78Å; L541-L578 HydrophobicContact CD2-CD2 4.02Å; L541-W580 HydrophobicContact CD2-CE3 3.88Å; L541-W580 HydrophobicContact CD2-CZ3 4.39Å; L541-W580 HydrophobicContact CG-CE3 4Å; L541-W580 HydrophobicContact CG-CZ3 4.04Å; L541-F583 HydrophobicContact CD1-CD2 3.78Å; L541-F583 HydrophobicContact CD1-CE2 3.79Å; L541-F583 HydrophobicContact CD1-CG 4.43Å; L541-F583 HydrophobicContact CD1-CZ 4.46Å
542E98Very high96.7Very high83 Ų8342 Ų4239%0.38820%0.203SC..Hα-helixtrans-68-31.2178-56.792.4145.400112Q539 R546 W580Q539-E542 VanDerWaalsContact C-OE2 3.23Å; Q539-E542 WeakPolarHBondContact CA-OE2 3.4Å; E542-R546 WeakPolarHBondContact O-CG 3.36Å; E542-R546 PolarHBondContact O-N 2.56Å; E542-R546 PolarHBondContact O-NE 3.39Å; E542-W580 HydrophobicContact CG-CH2 4.19Å; E542-W580 HydrophobicContact CG-CZ3 4.16Å
543L98.3Very high96.6Very high10 Ų1047.9 Ų47.95%0.05224%0.239CC..Hα-helixtrans-68.2-44.1171.9176.859000111.2L498 V501 K502 Q539 G540 L541 R546 V547L498-L543 HydrophobicContact CB-CD2 4.19Å; L498-L543 HydrophobicContact CD2-CD2 4.04Å; L498-L543 VanDerWaalsContact O-CD2 3.28Å; L498-L543 WeakPolarHBondContact O-CD2 3.49Å; V501-L543 HydrophobicContact CB-CD2 4.04Å; V501-L543 HydrophobicContact CG1-CD1 4.43Å; V501-L543 HydrophobicContact CG1-CD2 3.98Å; V501-L543 HydrophobicContact CG1-CG 4.12Å; K502-L543 HydrophobicContact CB-CD1 3.82Å; K502-L543 HydrophobicContact CB-CD2 4.01Å; K502-L543 HydrophobicContact CG-CD1 4.15Å; Q539-L543 WeakPolarHBondContact O-CB 3.45Å; Q539-L543 PolarHBondContact O-N 3.48Å; Q539-L543 VanDerWaalsContact O-N 3.11Å; G540-L543 PolarHBondContact O-N 3.5Å; L541-L543 VanDerWaalsContact C-N 3.3Å; L541-L543 PolarHBondContact O-N 2.87Å; L543-R546 WeakPolarHBondContact O-CB 3.49Å; L543-R546 PolarHBondContact O-N 3.3Å; L543-V547 WeakPolarHBondContact O-CG2 3.4Å; L543-V547 PolarHBondContact O-N 3.44Å
544F98.4Very high96.7Very high1 Ų146.8 Ų46.80%0.00424%0.238CC..Hα-helixtrans-71.4-33.6-177.4-87.2-139.9000111.9L498 V501 L518 L521 F535 G540 L541 V547 L548 V561 L564 L565L498-F544 HydrophobicContact CD2-CE2 3.89Å; V501-F544 HydrophobicContact CG1-CE2 4.2Å; L518-F544 HydrophobicContact CD2-CE1 4.09Å; L518-F544 HydrophobicContact CD2-CE2 4.07Å; L518-F544 HydrophobicContact CD2-CZ 3.55Å; L521-F544 HydrophobicContact CD1-CE2 4.18Å; L521-F544 HydrophobicContact CD1-CZ 3.87Å; F535-F544 HydrophobicContact CE2-CD1 4.1Å; F535-F544 AromaticContact CE2-CD2 3.8Å; F535-F544 HydrophobicContact CE2-CD2 3.8Å; F535-F544 AromaticContact CE2-CE1 3.93Å; F535-F544 HydrophobicContact CE2-CE1 3.93Å; F535-F544 AromaticContact CE2-CE2 3.58Å; F535-F544 HydrophobicContact CE2-CE2 3.58Å; F535-F544 HydrophobicContact CE2-CG 4.1Å; F535-F544 AromaticContact CE2-CZ 3.67Å; F535-F544 HydrophobicContact CE2-CZ 3.67Å; F535-F544 HydrophobicContact CZ-CB 4.25Å; F535-F544 AromaticContact CZ-CD1 3.75Å; F535-F544 HydrophobicContact CZ-CD1 3.75Å; F535-F544 AromaticContact CZ-CD2 3.7Å; F535-F544 HydrophobicContact CZ-CD2 3.7Å; F535-F544 HydrophobicContact CZ-CE1 4.06Å; F535-F544 AromaticContact CZ-CE2 3.98Å; F535-F544 HydrophobicContact CZ-CE2 3.98Å; F535-F544 AromaticContact CZ-CG 3.62Å; F535-F544 HydrophobicContact CZ-CG 3.62Å; F535-F544 HydrophobicContact CZ-CZ 4.17Å; G540-F544 WeakPolarHBondContact O-CB 3.35Å; G540-F544 WeakPolarHBondContact O-CD2 3.44Å; G540-F544 PolarHBondContact O-N 3.39Å; L541-F544 PolarHBondContact O-N 3.47Å; F544-V547 WeakPolarHBondContact O-CB 3.47Å; F544-V547 PolarHBondContact O-N 3.35Å; F544-L548 WeakPolarHBondContact O-CG 3.44Å; F544-L548 PolarHBondContact O-N 3.28Å; F544-V561 HydrophobicContact CB-CG1 4.01Å; F544-V561 HydrophobicContact CD1-CB 4.12Å; F544-V561 HydrophobicContact CD1-CG1 3.65Å; F544-V561 HydrophobicContact CD1-CG2 4.09Å; F544-V561 HydrophobicContact CE1-CB 4.44Å; F544-V561 HydrophobicContact CE1-CG1 4.45Å; F544-V561 HydrophobicContact CE1-CG2 4.22Å; F544-V561 HydrophobicContact CG-CG1 4.16Å; F544-L564 HydrophobicContact CD1-CD2 3.98Å; F544-L564 HydrophobicContact CE1-CB 4.03Å; F544-L564 HydrophobicContact CE1-CD1 3.72Å; F544-L564 HydrophobicContact CE1-CD2 3.75Å; F544-L564 HydrophobicContact CE1-CG 4.05Å; F544-L564 HydrophobicContact CZ-CD1 3.95Å; F544-L565 HydrophobicContact CD1-CG 4.42Å
545M97.9Very high96.7Very high4 Ų447.1 Ų47.12%0.0224%0.244CC..Hα-helixtrans-57.4-49.5167.1-77.9-63.9-68.600111.8L541 V547 L548 E549 W580 F583 H586L541-M545 WeakPolarHBondContact O-CG 3.23Å; L541-M545 PolarHBondContact O-N 3.08Å; M545-V547 VanDerWaalsContact C-N 3.26Å; M545-V547 PolarHBondContact O-N 3.43Å; M545-L548 PolarHBondContact O-N 2.97Å; M545-L548 VanDerWaalsContact O-N 3.13Å; M545-E549 WeakPolarHBondContact O-CG 3.47Å; M545-E549 PolarHBondContact O-N 2.97Å; M545-W580 HydrophobicContact CB-CH2 4.19Å; M545-W580 HydrophobicContact CB-CZ3 4.29Å; M545-W580 HydrophobicContact CG-CE3 4.41Å; M545-W580 HydrophobicContact CG-CH2 3.86Å; M545-W580 HydrophobicContact CG-CZ3 3.58Å; M545-F583 HydrophobicContact CG-CD2 4.26Å; M545-F583 HydrophobicContact SD-CB 4.14Å; M545-F583 HydrophobicContact SD-CD2 3.67Å; M545-F583 HydrophobicContact SD-CG 4.39Å; M545-H586 HydrophobicContact CE-CB 3.72Å; M545-H586 HydrophobicContact SD-CB 4.29Å
546R97.6Very high96.7Very high96 Ų9648.5 Ų48.536%0.36225%0.253SS..Hα-helixtrans-60.2-34.3175.3-76.5178.8-79.7-177.3-10.7113.2E542 L543 S550E542-R546 WeakPolarHBondContact O-CG 3.36Å; E542-R546 PolarHBondContact O-N 2.56Å; E542-R546 PolarHBondContact O-NE 3.39Å; L543-R546 WeakPolarHBondContact O-CB 3.49Å; L543-R546 PolarHBondContact O-N 3.3Å; R546-S550 VanDerWaalsContact O-CB 3.28Å; R546-S550 WeakPolarHBondContact O-CB 3.41Å; R546-S550 PolarHBondContact O-N 3.13Å; R546-S550 PolarHBondContact O-OG 3.45Å
547V98.1Very high96.7Very high0 Ų047.3 Ų47.30%025%0.247CC..Hα-helixtrans-64-46.8175.3176.20000110.3V501 T505 L543 F544 M545 E549 S550 F551 I557 V561V501-V547 HydrophobicContact CG1-CG2 3.64Å; T505-V547 HydrophobicContact CG2-CG2 4.18Å; T505-V547 VanDerWaalsContact OG1-CG2 3.3Å; T505-V547 WeakPolarHBondContact OG1-CG2 3.12Å; L543-V547 WeakPolarHBondContact O-CG2 3.4Å; L543-V547 PolarHBondContact O-N 3.44Å; F544-V547 WeakPolarHBondContact O-CB 3.47Å; F544-V547 PolarHBondContact O-N 3.35Å; M545-V547 VanDerWaalsContact C-N 3.26Å; M545-V547 PolarHBondContact O-N 3.43Å; V547-E549 VanDerWaalsContact C-N 3.33Å; V547-E549 PolarHBondContact O-N 2.85Å; V547-S550 PolarHBondContact O-N 3.26Å; V547-F551 HydrophobicContact CG1-CD2 3.92Å; V547-F551 HydrophobicContact CG1-CE2 4.37Å; V547-F551 VanDerWaalsContact O-CD2 3.31Å; V547-F551 WeakPolarHBondContact O-CD2 3.16Å; V547-F551 PolarHBondContact O-N 3.28Å; V547-I557 HydrophobicContact CG1-CG2 3.69Å; V547-V561 HydrophobicContact CB-CG2 4.36Å; V547-V561 HydrophobicContact CG1-CG2 3.75Å
548L97.5Very high96.8Very high1 Ų142.4 Ų42.41%0.00522%0.224CC..Hα-helixtrans-62.4-40.4177.9-66171.1000112.1F544 M545 F551 Q558 V561 L562 H586 L590F544-L548 WeakPolarHBondContact O-CG 3.44Å; F544-L548 PolarHBondContact O-N 3.28Å; M545-L548 PolarHBondContact O-N 2.97Å; M545-L548 VanDerWaalsContact O-N 3.13Å; L548-F551 CarbonylContact O-C 3.52Å; L548-Q558 HydrophobicContact CD2-CB 4.18Å; L548-Q558 HydrophobicContact CD2-CG 3.92Å; L548-V561 HydrophobicContact CD1-CG1 3.88Å; L548-V561 HydrophobicContact CD2-CB 4.01Å; L548-V561 HydrophobicContact CD2-CG1 3.63Å; L548-V561 HydrophobicContact CG-CB 4.49Å; L548-V561 HydrophobicContact CG-CG1 3.64Å; L548-L562 HydrophobicContact CD1-CD2 4.38Å; L548-H586 WeakPolarHBondContact CB-NE2 3.37Å; L548-L590 HydrophobicContact CD1-CD1 4.04Å; L548-L590 HydrophobicContact CD2-CD1 4.21Å
549E96.5Very high96.9Very high113 Ų11341.3 Ų41.353%0.52822%0.218SC..Hα-helixtrans-68.1-35.7176.7-69.3168176.100113M545 V547M545-E549 WeakPolarHBondContact O-CG 3.47Å; M545-E549 PolarHBondContact O-N 2.97Å; V547-E549 VanDerWaalsContact C-N 3.33Å; V547-E549 PolarHBondContact O-N 2.85Å
550S96.7Very high96.9Very high47 Ų4737.2 Ų37.233%0.32920%0.198SC..Hα-helixtrans-76.1-30.2179.7-57.30000112.2R546 V547 P552R546-S550 VanDerWaalsContact O-CB 3.28Å; R546-S550 WeakPolarHBondContact O-CB 3.41Å; R546-S550 PolarHBondContact O-N 3.13Å; R546-S550 PolarHBondContact O-OG 3.45Å; V547-S550 PolarHBondContact O-N 3.26Å; S550-P552 WeakPolarHBondContact O-CD 3.31Å
551F96.7Very high96.9Very high11 Ų1137.2 Ų37.25%0.04820%0.198CC..  trans-125.658.4-175.2-51.6-63.8000112.8T505 V510 L514 V547 L548 T553 E554 I557T505-F551 HydrophobicContact CG2-CE2 4.12Å; V510-F551 HydrophobicContact CG2-CD1 3.59Å; V510-F551 HydrophobicContact CG2-CE1 3.68Å; V510-F551 HydrophobicContact CG2-CG 4.08Å; V510-F551 HydrophobicContact CG2-CZ 4.22Å; L514-F551 HydrophobicContact CD2-CE2 3.94Å; L514-F551 HydrophobicContact CD2-CZ 4.28Å; V547-F551 HydrophobicContact CG1-CD2 3.92Å; V547-F551 HydrophobicContact CG1-CE2 4.37Å; V547-F551 VanDerWaalsContact O-CD2 3.31Å; V547-F551 WeakPolarHBondContact O-CD2 3.16Å; V547-F551 PolarHBondContact O-N 3.28Å; L548-F551 CarbonylContact O-C 3.52Å; F551-T553 PolarHBondContact O-N 3.35Å; F551-E554 HydrophobicContact CB-CB 3.96Å; F551-E554 HydrophobicContact CB-CG 4.09Å; F551-E554 PolarHBondContact O-N 2.95Å; F551-I557 HydrophobicContact CB-CG2 4.44Å; F551-I557 HydrophobicContact CD2-CG2 4.25Å
552P94.9Very high97Very high82 Ų8236.8 Ų36.853%0.53220%0.196SC..THydrogen-bonded Turntrans-70.2-17.1-171.829.1-36.5000114.2S550 Q558S550-P552 WeakPolarHBondContact O-CD 3.31Å; P552-Q558 PolarHBondContact O-NE2 2.95Å
553T93.9Very high96.9Very high123 Ų12332.8 Ų32.876%0.75518%0.177SC*.THydrogen-bonded Turntrans-105.30.5-179.857.60000113.3F551 S555F551-T553 PolarHBondContact O-N 3.35Å; T553-S555 PolarHBondContact O-N 3.31Å
554E96.2Very high96.9Very high72 Ų7232.3 Ų32.334%0.33618%0.175SC..  trans-99.980.8-173.6-67.7-71.4159.500110.7V510 F551 S556 I557 Q558V510-E554 HydrophobicContact CG2-CG 4.03Å; F551-E554 HydrophobicContact CB-CB 3.96Å; F551-E554 HydrophobicContact CB-CG 4.09Å; F551-E554 PolarHBondContact O-N 2.95Å; E554-S556 PolarHBondContact O-N 3.49Å; E554-S556 VanDerWaalsContact O-N 3.16Å; E554-I557 HydrophobicContact CB-CB 4.1Å; E554-I557 HydrophobicContact CB-CG1 4.08Å; E554-I557 WeakPolarHBondContact O-CB 3.35Å; E554-I557 PolarHBondContact O-N 3.09Å; E554-Q558 PolarHBondContact O-N 3.22Å
555S95.2Very high96.9Very high38 Ų3832.3 Ų32.327%0.26618%0.175SC..Hα-helixtrans-53.2-39.5-176.763.20000113.1T553 I557 Q558 Q559T553-S555 PolarHBondContact O-N 3.31Å; S555-I557 PolarHBondContact O-N 2.71Å; S555-Q558 PolarHBondContact O-N 3.13Å; S555-Q559 VanDerWaalsContact O-CB 3.26Å; S555-Q559 WeakPolarHBondContact O-CB 3.41Å; S555-Q559 PolarHBondContact O-N 3.21Å
556S94.7Very high96.9Very high29 Ų2932.3 Ų32.320%0.20318%0.175CC..Hα-helixtrans-64.4-22.5178.573.70000114.6K515 E554 K560K515-S556 WeakPolarHBondContact CE-OG 3.34Å; K515-S556 PolarHBondContact NZ-OG 3.17Å; E554-S556 PolarHBondContact O-N 3.49Å; E554-S556 VanDerWaalsContact O-N 3.16Å; S556-K560 WeakPolarHBondContact O-CD 3.37Å; S556-K560 PolarHBondContact O-NZ 2.94Å
557I97.4Very high96.9Very high0 Ų028.1 Ų28.10%016%0.16CC..Hα-helixtrans-87.9-48.6173.7-64.8-63.7000109.6V510 L514 K515 L518 V547 F551 E554 S555 Q559 K560 V561V510-I557 HydrophobicContact CG1-CD1 3.96Å; V510-I557 HydrophobicContact CG1-CG1 3.93Å; V510-I557 HydrophobicContact CG2-CG1 4.15Å; L514-I557 HydrophobicContact CD2-CD1 4.04Å; L514-I557 HydrophobicContact CG-CD1 4.1Å; K515-I557 HydrophobicContact CG-CD1 3.73Å; L518-I557 HydrophobicContact CD1-CD1 3.76Å; L518-I557 HydrophobicContact CD1-CG2 3.89Å; V547-I557 HydrophobicContact CG1-CG2 3.69Å; F551-I557 HydrophobicContact CB-CG2 4.44Å; F551-I557 HydrophobicContact CD2-CG2 4.25Å; E554-I557 HydrophobicContact CB-CB 4.1Å; E554-I557 HydrophobicContact CB-CG1 4.08Å; E554-I557 WeakPolarHBondContact O-CB 3.35Å; E554-I557 PolarHBondContact O-N 3.09Å; S555-I557 PolarHBondContact O-N 2.71Å; I557-Q559 VanDerWaalsContact C-N 3.3Å; I557-Q559 PolarHBondContact O-N 3.23Å; I557-K560 PolarHBondContact O-N 3.39Å; I557-K560 VanDerWaalsContact O-N 3.09Å; I557-V561 HydrophobicContact CG2-CG2 4.37Å; I557-V561 WeakPolarHBondContact O-CG2 3.35Å; I557-V561 PolarHBondContact O-N 2.86Å
558Q97.8Very high96.9Very high11 Ų1128.1 Ų28.15%0.05116%0.16CC..Hα-helixtrans-54.2-46.8177.5-68.8174.8-38.500111.5L548 P552 E554 S555 K560 V561 L562 V598L548-Q558 HydrophobicContact CD2-CB 4.18Å; L548-Q558 HydrophobicContact CD2-CG 3.92Å; P552-Q558 PolarHBondContact O-NE2 2.95Å; E554-Q558 PolarHBondContact O-N 3.22Å; S555-Q558 PolarHBondContact O-N 3.13Å; Q558-K560 VanDerWaalsContact C-N 3.31Å; Q558-K560 PolarHBondContact O-N 3.35Å; Q558-V561 PolarHBondContact O-N 3.01Å; Q558-L562 WeakPolarHBondContact O-CB 3.08Å; Q558-L562 VanDerWaalsContact O-CG 3.24Å; Q558-L562 WeakPolarHBondContact O-CG 3.38Å; Q558-L562 PolarHBondContact O-N 3.47Å; Q558-V598 HydrophobicContact CB-CG1 4.28Å; Q558-V598 HydrophobicContact CB-CG2 3.97Å
559Q96.4Very high96.9Very high22 Ų2228.1 Ų28.110%0.10316%0.159CC..Hα-helixtrans-53.8-45176.8-174.7-166.125.300112.4S555 I557 G563 E597 F601S555-Q559 VanDerWaalsContact O-CB 3.26Å; S555-Q559 WeakPolarHBondContact O-CB 3.41Å; S555-Q559 PolarHBondContact O-N 3.21Å; I557-Q559 VanDerWaalsContact C-N 3.3Å; I557-Q559 PolarHBondContact O-N 3.23Å; Q559-G563 PolarHBondContact O-N 3.09Å; Q559-E597 VanDerWaalsContact CD-OE2 3.31Å; Q559-E597 HydrophobicContact CG-CB 4.36Å; Q559-E597 PolarHBondContact NE2-OE2 3.43Å; Q559-F601 HydrophobicContact CG-CD2 3.96Å; Q559-F601 HydrophobicContact CG-CE2 3.62Å
560K97.2Very high96.9Very high29 Ų2924.5 Ų24.513%0.12614%0.143CC..Hα-helixtrans-72.6-38.8-178.2-66.5170.8-178.250.90112L518 S519 W522 S556 I557 Q558 L564L518-K560 HydrophobicContact CB-CB 3.83Å; L518-K560 HydrophobicContact CB-CD 4.04Å; S519-K560 WeakPolarHBondContact OG-CD 3.48Å; S519-K560 WeakPolarHBondContact OG-CE 3.45Å; W522-K560 HydrophobicContact CE3-CB 4.21Å; W522-K560 HydrophobicContact CE3-CG 4.09Å; W522-K560 HydrophobicContact CZ3-CG 4.21Å; S556-K560 WeakPolarHBondContact O-CD 3.37Å; S556-K560 PolarHBondContact O-NZ 2.94Å; I557-K560 PolarHBondContact O-N 3.39Å; I557-K560 VanDerWaalsContact O-N 3.09Å; Q558-K560 VanDerWaalsContact C-N 3.31Å; Q558-K560 PolarHBondContact O-N 3.35Å; K560-L564 PolarHBondContact O-N 2.86Å; K560-L564 VanDerWaalsContact O-N 3.14Å
561V98.4Very high96.9Very high0 Ų022.9 Ų22.90%013%0.13CC..Hα-helixtrans-63.2-50.3175.7166.10000110.3L518 F544 V547 L548 I557 Q558 L564 L565L518-V561 HydrophobicContact CD1-CG2 4.29Å; L518-V561 HydrophobicContact CD2-CG2 4.03Å; F544-V561 HydrophobicContact CB-CG1 4.01Å; F544-V561 HydrophobicContact CD1-CB 4.12Å; F544-V561 HydrophobicContact CD1-CG1 3.65Å; F544-V561 HydrophobicContact CD1-CG2 4.09Å; F544-V561 HydrophobicContact CE1-CB 4.44Å; F544-V561 HydrophobicContact CE1-CG1 4.45Å; F544-V561 HydrophobicContact CE1-CG2 4.22Å; F544-V561 HydrophobicContact CG-CG1 4.16Å; V547-V561 HydrophobicContact CB-CG2 4.36Å; V547-V561 HydrophobicContact CG1-CG2 3.75Å; L548-V561 HydrophobicContact CD1-CG1 3.88Å; L548-V561 HydrophobicContact CD2-CB 4.01Å; L548-V561 HydrophobicContact CD2-CG1 3.63Å; L548-V561 HydrophobicContact CG-CB 4.49Å; L548-V561 HydrophobicContact CG-CG1 3.64Å; I557-V561 HydrophobicContact CG2-CG2 4.37Å; I557-V561 WeakPolarHBondContact O-CG2 3.35Å; I557-V561 PolarHBondContact O-N 2.86Å; Q558-V561 PolarHBondContact O-N 3.01Å; V561-L564 PolarHBondContact O-N 3.13Å; V561-L565 HydrophobicContact CG1-CD1 3.72Å; V561-L565 VanDerWaalsContact O-CG 3.28Å; V561-L565 WeakPolarHBondContact O-CG 3.31Å; V561-L565 PolarHBondContact O-N 3.27Å
562L98.5Very high96.8Very high0 Ų028.6 Ų28.60%016%0.158CC..Hα-helixtrans-68-35.8179.2-64.8175000112.3L548 Q558 L564 L565 N566 I587 L590 V598 F601 A602 I605L548-L562 HydrophobicContact CD1-CD2 4.38Å; Q558-L562 WeakPolarHBondContact O-CB 3.08Å; Q558-L562 VanDerWaalsContact O-CG 3.24Å; Q558-L562 WeakPolarHBondContact O-CG 3.38Å; Q558-L562 PolarHBondContact O-N 3.47Å; L562-L564 PolarHBondContact O-N 3.26Å; L562-L565 HydrophobicContact CD2-CD1 4.42Å; L562-L565 PolarHBondContact O-N 3.33Å; L562-N566 WeakPolarHBondContact O-CB 3.1Å; L562-N566 PolarHBondContact O-N 2.93Å; L562-I587 HydrophobicContact CD2-CD1 3.45Å; L562-I587 VanDerWaalsContact CD2-CD1 3.45Å; L562-L590 HydrophobicContact CD1-CD1 4.15Å; L562-L590 HydrophobicContact CD2-CD1 3.93Å; L562-L590 HydrophobicContact CG-CD1 4.44Å; L562-V598 HydrophobicContact CD1-CB 4.42Å; L562-V598 HydrophobicContact CD1-CG1 3.64Å; L562-V598 WeakPolarHBondContact CD1-O 3.45Å; L562-F601 HydrophobicContact CB-CB 3.44Å; L562-F601 VanDerWaalsContact CB-CB 3.44Å; L562-F601 HydrophobicContact CB-CG 4.3Å; L562-F601 HydrophobicContact CD1-CB 4.36Å; L562-A602 HydrophobicContact CD1-CB 4.41Å; L562-I605 HydrophobicContact CB-CD1 4.45Å; L562-I605 HydrophobicContact CD2-CD1 3.86Å
563G97.6Very high96.8Very high0 Ų030.6 Ų30.60%016%0.16CC..Hα-helixtrans-58.5-45.7173.600000112.2W522 Q559 N566 N567W522-G563 PolarHBondContact NE1-O 3.4Å; Q559-G563 PolarHBondContact O-N 3.09Å; G563-N566 PolarHBondContact O-N 3.38Å; G563-N567 PolarHBondContact O-N 3.44Å; G563-N567 PolarHBondContact O-OD1 3.18Å; G563-N567 VanDerWaalsContact O-OD1 3.13Å
564L97.8Very high97Very high0 Ų025.2 Ų25.20%013%0.126CC..Hα-helixtrans-63.5-45.9172.9178.6149.8000112.1L521 W522 T525 F535 F544 K560 V561 L562 N566 N567 I568L521-L564 HydrophobicContact CB-CD1 3.52Å; W522-L564 HydrophobicContact CB-CB 4.24Å; T525-L564 HydrophobicContact CG2-CD1 3.95Å; T525-L564 HydrophobicContact CG2-CG 4.08Å; F535-L564 HydrophobicContact CD1-CD2 4.29Å; F535-L564 HydrophobicContact CD2-CD1 4.11Å; F535-L564 HydrophobicContact CD2-CD2 4.02Å; F535-L564 HydrophobicContact CE1-CD2 3.86Å; F535-L564 HydrophobicContact CE2-CD1 3.92Å; F535-L564 HydrophobicContact CE2-CD2 3.56Å; F535-L564 HydrophobicContact CE2-CG 4.45Å; F535-L564 HydrophobicContact CG-CD2 4.35Å; F535-L564 HydrophobicContact CZ-CD2 3.47Å; F535-L564 VanDerWaalsContact CZ-CD2 3.47Å; F544-L564 HydrophobicContact CD1-CD2 3.98Å; F544-L564 HydrophobicContact CE1-CB 4.03Å; F544-L564 HydrophobicContact CE1-CD1 3.72Å; F544-L564 HydrophobicContact CE1-CD2 3.75Å; F544-L564 HydrophobicContact CE1-CG 4.05Å; F544-L564 HydrophobicContact CZ-CD1 3.95Å; K560-L564 PolarHBondContact O-N 2.86Å; K560-L564 VanDerWaalsContact O-N 3.14Å; V561-L564 PolarHBondContact O-N 3.13Å; L562-L564 PolarHBondContact O-N 3.26Å; L564-N566 VanDerWaalsContact C-N 3.26Å; L564-N566 PolarHBondContact O-N 3.14Å; L564-N567 WeakPolarHBondContact O-CB 3.42Å; L564-N567 PolarHBondContact O-N 3.18Å; L564-N567 VanDerWaalsContact O-N 3.11Å; L564-I568 HydrophobicContact CD2-CD1 3.51Å; L564-I568 HydrophobicContact CD2-CG1 4.13Å; L564-I568 PolarHBondContact O-N 2.94Å; L564-I568 VanDerWaalsContact O-N 3.07Å
565L98.5Very high97Very high0 Ų022.4 Ų22.40%011%0.113CC..Hα-helixtrans-65.2-31.6-178.5-69.7165000112.1L541 F544 V561 L562 I568 A569 F583 I605L541-L565 HydrophobicContact CD1-CD2 3.63Å; F544-L565 HydrophobicContact CD1-CG 4.42Å; V561-L565 HydrophobicContact CG1-CD1 3.72Å; V561-L565 VanDerWaalsContact O-CG 3.28Å; V561-L565 WeakPolarHBondContact O-CG 3.31Å; V561-L565 PolarHBondContact O-N 3.27Å; L562-L565 HydrophobicContact CD2-CD1 4.42Å; L562-L565 PolarHBondContact O-N 3.33Å; L565-I568 HydrophobicContact CD2-CD1 4.42Å; L565-I568 PolarHBondContact O-N 3.36Å; L565-A569 PolarHBondContact O-N 3.31Å; L565-F583 HydrophobicContact CD1-CE2 3.95Å; L565-F583 HydrophobicContact CD2-CE2 4.1Å; L565-F583 HydrophobicContact CG-CE2 4.48Å; L565-I605 HydrophobicContact CB-CD1 3.68Å; L565-I605 HydrophobicContact CB-CG1 4.32Å
566N98Very high97.1Very high4 Ų424.3 Ų24.32%0.02113%0.127CC..Hα-helixtrans-60.8-47.2170.6-176.773000110.9L562 G563 L564 I568 A569 E570 F601 G604 I605L562-N566 WeakPolarHBondContact O-CB 3.1Å; L562-N566 PolarHBondContact O-N 2.93Å; G563-N566 PolarHBondContact O-N 3.38Å; L564-N566 VanDerWaalsContact C-N 3.26Å; L564-N566 PolarHBondContact O-N 3.14Å; N566-I568 PolarHBondContact O-N 3.3Å; N566-A569 WeakPolarHBondContact O-CB 3.47Å; N566-A569 PolarHBondContact O-N 2.81Å; N566-E570 PolarHBondContact ND2-OE1 2.9Å; N566-E570 WeakPolarHBondContact O-CG 3.34Å; N566-E570 PolarHBondContact O-N 3.04Å; N566-F601 HydrophobicContact CB-CD1 4.28Å; N566-G604 VanDerWaalsContact OD1-CA 3.27Å; N566-G604 WeakPolarHBondContact OD1-CA 3.38Å; N566-I605 HydrophobicContact CB-CG1 4Å; N566-I605 PolarHBondContact OD1-N 2.92Å
567N96.6Very high97.2Very high9 Ų927.8 Ų27.85%0.04814%0.139CC..Hα-helixtrans-60.8-31.4175.4-63.58.8000112.2W522 D526 G563 L564 E570W522-N567 PolarHBondContact O-ND2 3.45Å; D526-N567 VanDerWaalsContact CA-ND2 3.27Å; D526-N567 WeakPolarHBondContact CA-ND2 3.47Å; D526-N567 PolarHBondContact N-ND2 3.39Å; G563-N567 PolarHBondContact O-N 3.44Å; G563-N567 PolarHBondContact O-OD1 3.18Å; G563-N567 VanDerWaalsContact O-OD1 3.13Å; L564-N567 WeakPolarHBondContact O-CB 3.42Å; L564-N567 PolarHBondContact O-N 3.18Å; L564-N567 VanDerWaalsContact O-N 3.11Å; N567-E570 WeakPolarHBondContact O-CB 3.34Å
568I97.8Very high97.2Very high0 Ų027.8 Ų27.80%014%0.139CC..Hα-helixtrans-71.2-41.3173-62179.5000110.9C532 F535 I536 L564 L565 N566 E570 V571 L574 L578C532-I568 HydrophobicContact CB-CG1 4.08Å; F535-I568 HydrophobicContact CD1-CD1 3.21Å; F535-I568 HydrophobicContact CE1-CD1 3.39Å; F535-I568 HydrophobicContact CG-CD1 3.98Å; F535-I568 HydrophobicContact CZ-CD1 4.28Å; I536-I568 HydrophobicContact CD1-CD1 4.28Å; I536-I568 HydrophobicContact CD1-CG2 4.24Å; I536-I568 HydrophobicContact CG1-CG2 4.41Å; L564-I568 HydrophobicContact CD2-CD1 3.51Å; L564-I568 HydrophobicContact CD2-CG1 4.13Å; L564-I568 PolarHBondContact O-N 2.94Å; L564-I568 VanDerWaalsContact O-N 3.07Å; L565-I568 HydrophobicContact CD2-CD1 4.42Å; L565-I568 PolarHBondContact O-N 3.36Å; N566-I568 PolarHBondContact O-N 3.3Å; I568-E570 PolarHBondContact O-N 3.36Å; I568-V571 WeakPolarHBondContact O-CB 3.48Å; I568-V571 PolarHBondContact O-N 2.85Å; I568-L574 HydrophobicContact CG2-CB 4.17Å; I568-L574 HydrophobicContact CG2-CD1 4.01Å; I568-L578 HydrophobicContact CB-CD1 4.47Å; I568-L578 HydrophobicContact CG2-CD1 3.92Å; I568-L578 HydrophobicContact CG2-CD2 4.17Å; I568-L578 HydrophobicContact CG2-CG 4.22Å
569A98Very high97.2Very high0 Ų028.1 Ų28.10%014%0.141CC..Hα-helixtrans-63.1-27.3178.200000113L565 N566 V571 L578 I605 H608 L609L565-A569 PolarHBondContact O-N 3.31Å; N566-A569 WeakPolarHBondContact O-CB 3.47Å; N566-A569 PolarHBondContact O-N 2.81Å; A569-V571 VanDerWaalsContact C-N 3.27Å; A569-V571 PolarHBondContact O-N 3.49Å; A569-L578 HydrophobicContact CB-CD1 3.85Å; A569-I605 HydrophobicContact CB-CG2 4.29Å; A569-H608 HydrophobicContact CB-CB 3.77Å; A569-L609 HydrophobicContact CB-CD2 4.3Å; A569-L609 HydrophobicContact CB-CG 4.39Å
570E96.5Very high97.2Very high38 Ų3831 Ų3118%0.17815%0.151CC..Hα-helixtrans-62.9-31.1171.7-70.8170.2-144.600112.9N566 N567 I568 Q572 H608 R612 P653N566-E570 PolarHBondContact ND2-OE1 2.9Å; N566-E570 WeakPolarHBondContact O-CG 3.34Å; N566-E570 PolarHBondContact O-N 3.04Å; N567-E570 WeakPolarHBondContact O-CB 3.34Å; I568-E570 PolarHBondContact O-N 3.36Å; E570-Q572 PolarHBondContact O-N 2.78Å; E570-H608 VanDerWaalsContact CG-CE1 3.42Å; E570-H608 WeakPolarHBondContact CG-CE1 3.3Å; E570-H608 WeakPolarHBondContact CG-NE2 3.5Å; E570-R612 PolarHBondContact O-NH2 3.05Å; E570-P653 HydrophobicContact CG-CB 4.22Å; E570-P653 VanDerWaalsContact OE2-CB 3.31Å; E570-P653 WeakPolarHBondContact OE2-CB 3.46Å; E570-P653 WeakPolarHBondContact OE2-CG 3.44Å
571V96.4Very high97.2Very high12 Ų1234.8 Ų34.87%0.07317%0.168CC..  trans-79.3111.6-177.2-176.80000110.5P529 C532 I568 A569 E573 L574P529-V571 HydrophobicContact CB-CG1 3.9Å; P529-V571 HydrophobicContact CB-CG2 4.27Å; P529-V571 HydrophobicContact CG-CG2 4.37Å; C532-V571 HydrophobicContact CB-CG2 3.97Å; I568-V571 WeakPolarHBondContact O-CB 3.48Å; I568-V571 PolarHBondContact O-N 2.85Å; A569-V571 VanDerWaalsContact C-N 3.27Å; A569-V571 PolarHBondContact O-N 3.49Å; V571-E573 VanDerWaalsContact C-N 3.3Å; V571-E573 VanDerWaalsContact CG1-OE2 3.31Å; V571-E573 WeakPolarHBondContact CG1-OE2 3.14Å; V571-E573 PolarHBondContact O-N 2.96Å; V571-L574 HydrophobicContact CB-CB 4.34Å; V571-L574 HydrophobicContact CB-CD1 4.04Å; V571-L574 HydrophobicContact CB-CG 4.22Å; V571-L574 HydrophobicContact CG1-CB 4.31Å; V571-L574 HydrophobicContact CG1-CD1 3.88Å; V571-L574 HydrophobicContact CG1-CG 3.79Å; V571-L574 HydrophobicContact CG2-CD1 4.48Å; V571-L574 PolarHBondContact O-N 3.45Å; V571-L574 VanDerWaalsContact O-N 3.15Å
572Q94.9Very high97Very high132 Ų13239.1 Ų39.162%0.61719%0.191SC*.G310 helixtrans-59.2-40.8-173.9-176.5170.3-26.200112.9E570 L574 H575 R612E570-Q572 PolarHBondContact O-N 2.78Å; Q572-L574 PolarHBondContact O-N 3.41Å; Q572-H575 WeakPolarHBondContact O-CB 3.35Å; Q572-H575 PolarHBondContact O-N 3.01Å; Q572-R612 VanDerWaalsContact OE1-NH1 3.13Å
573E95.9Very high97Very high124 Ų12439.1 Ų39.158%0.57919%0.191SC*.G310 helixtrans-68.7-18.1-176.6-58.788.6161.100113.1V571V571-E573 VanDerWaalsContact C-N 3.3Å; V571-E573 VanDerWaalsContact CG1-OE2 3.31Å; V571-E573 WeakPolarHBondContact CG1-OE2 3.14Å; V571-E573 PolarHBondContact O-N 2.96Å
574L97Very high97Very high9 Ų939.3 Ų39.35%0.04719%0.192CC..G310 helixtrans-100.62-179.9-59177.9000112.7C532 R533 I536 I568 V571 Q572 S576 E577 L578C532-L574 HydrophobicContact CB-CD1 3.46Å; C532-L574 VanDerWaalsContact CB-CD1 3.46Å; R533-L574 HydrophobicContact CB-CD2 4.3Å; R533-L574 HydrophobicContact CG-CD2 4.39Å; I536-L574 HydrophobicContact CG1-CD1 4.3Å; I536-L574 HydrophobicContact CG1-CD2 4.42Å; I568-L574 HydrophobicContact CG2-CB 4.17Å; I568-L574 HydrophobicContact CG2-CD1 4.01Å; V571-L574 HydrophobicContact CB-CB 4.34Å; V571-L574 HydrophobicContact CB-CD1 4.04Å; V571-L574 HydrophobicContact CB-CG 4.22Å; V571-L574 HydrophobicContact CG1-CB 4.31Å; V571-L574 HydrophobicContact CG1-CD1 3.88Å; V571-L574 HydrophobicContact CG1-CG 3.79Å; V571-L574 HydrophobicContact CG2-CD1 4.48Å; V571-L574 PolarHBondContact O-N 3.45Å; V571-L574 VanDerWaalsContact O-N 3.15Å; Q572-L574 PolarHBondContact O-N 3.41Å; L574-S576 VanDerWaalsContact C-N 3.29Å; L574-S576 PolarHBondContact O-N 2.84Å; L574-E577 HydrophobicContact CD2-CG 4.43Å; L574-E577 WeakPolarHBondContact O-CB 3.37Å; L574-E577 PolarHBondContact O-N 2.92Å; L574-E577 VanDerWaalsContact O-N 3.1Å; L574-L578 PolarHBondContact O-N 3.36Å
575H97.2Very high97Very high14 Ų1442.5 Ų42.57%0.06521%0.209CC..Hα-helixtrans-55-44.5-179.5176.9-85000112.5Q572 E577 L578 M579 L609 R612 A616Q572-H575 WeakPolarHBondContact O-CB 3.35Å; Q572-H575 PolarHBondContact O-N 3.01Å; H575-E577 VanDerWaalsContact C-N 3.26Å; H575-E577 PolarHBondContact O-N 3.14Å; H575-L578 PolarHBondContact O-N 2.98Å; H575-L578 VanDerWaalsContact O-N 3.12Å; H575-M579 PolarHBondContact O-N 3.47Å; H575-L609 PolarHBondContact NE2-O 3.08Å; H575-L609 VanDerWaalsContact NE2-O 3.08Å; H575-R612 VanDerWaalsContact CD2-CG 3.45Å; H575-R612 WeakPolarHBondContact CD2-CG 3.45Å; H575-A616 PolarHBondContact CE1-O 3.31Å
576S96.5Very high96.9Very high78 Ų7844.7 Ų44.755%0.54522%0.219SC..Hα-helixtrans-62.9-32.3-179.952.10000113.2L574 L578 M579L574-S576 VanDerWaalsContact C-N 3.29Å; L574-S576 PolarHBondContact O-N 2.84Å; S576-L578 VanDerWaalsContact C-N 3.26Å; S576-L578 PolarHBondContact O-N 2.94Å; S576-M579 PolarHBondContact O-N 3.33Å
577E97Very high96.9Very high101 Ų10144.6 Ų44.647%0.47222%0.218SC..Hα-helixtrans-69-28.3178.5-56-61.5140.500111.6I536 L541 L574 H575I536-E577 HydrophobicContact CG2-CB 4.18Å; I536-E577 HydrophobicContact CG2-CG 4.04Å; L541-E577 WeakPolarHBondContact CD2-O 3.43Å; L574-E577 HydrophobicContact CD2-CG 4.43Å; L574-E577 WeakPolarHBondContact O-CB 3.37Å; L574-E577 PolarHBondContact O-N 2.92Å; L574-E577 VanDerWaalsContact O-N 3.1Å; H575-E577 VanDerWaalsContact C-N 3.26Å; H575-E577 PolarHBondContact O-N 3.14Å
578L97.7Very high97Very high0 Ų045.4 Ų45.40%023%0.225CC..Hα-helixtrans-87-7.7177.2-63.3-179.9000113.4L541 I568 A569 L574 H575 S576 W580 F583 L609L541-L578 HydrophobicContact CD1-CD2 3.78Å; L541-L578 HydrophobicContact CD2-CD2 4.02Å; I568-L578 HydrophobicContact CB-CD1 4.47Å; I568-L578 HydrophobicContact CG2-CD1 3.92Å; I568-L578 HydrophobicContact CG2-CD2 4.17Å; I568-L578 HydrophobicContact CG2-CG 4.22Å; A569-L578 HydrophobicContact CB-CD1 3.85Å; L574-L578 PolarHBondContact O-N 3.36Å; H575-L578 PolarHBondContact O-N 2.98Å; H575-L578 VanDerWaalsContact O-N 3.12Å; S576-L578 VanDerWaalsContact C-N 3.26Å; S576-L578 PolarHBondContact O-N 2.94Å; L578-W580 PolarHBondContact O-N 3Å; L578-F583 HydrophobicContact CB-CE1 4.12Å; L578-F583 HydrophobicContact CD2-CE1 4.02Å; L578-F583 HydrophobicContact CD2-CZ 3.99Å; L578-F583 WeakPolarHBondContact O-CD1 3.44Å; L578-L609 HydrophobicContact CB-CD1 4.4Å; L578-L609 HydrophobicContact CB-CD2 3.85Å; L578-L609 HydrophobicContact CD1-CD2 3.84Å
579M97.4Very high96.9Very high18 Ų1849.3 Ų49.39%0.08925%0.252CS..  trans-76.550.5173.7-66.4-62.8100.800112H575 S576 I584 L609 W617 T618H575-M579 PolarHBondContact O-N 3.47Å; S576-M579 PolarHBondContact O-N 3.33Å; M579-I584 HydrophobicContact CE-CD1 4.42Å; M579-L609 HydrophobicContact CE-CB 4.01Å; M579-L609 HydrophobicContact CE-CD1 3.87Å; M579-L609 HydrophobicContact CE-CD2 3.73Å; M579-L609 HydrophobicContact CE-CG 4.06Å; M579-W617 HydrophobicContact CE-CE3 4.31Å; M579-W617 HydrophobicContact CE-CZ3 4.18Å; M579-W617 HydrophobicContact SD-CD2 4.22Å; M579-W617 HydrophobicContact SD-CE3 4.02Å; M579-W617 HydrophobicContact SD-CZ3 4.36Å; M579-T618 VanDerWaalsContact CB-OG1 3.23Å; M579-T618 WeakPolarHBondContact CB-OG1 3.43Å
580W96.6Very high96.9Very high83 Ų8350 Ų5031%0.31426%0.256SS..  trans-104.5121176.6172.123000109.5L541 E542 M545 L578 D582 F583 I584L541-W580 HydrophobicContact CD2-CE3 3.88Å; L541-W580 HydrophobicContact CD2-CZ3 4.39Å; L541-W580 HydrophobicContact CG-CE3 4Å; L541-W580 HydrophobicContact CG-CZ3 4.04Å; E542-W580 HydrophobicContact CG-CH2 4.19Å; E542-W580 HydrophobicContact CG-CZ3 4.16Å; M545-W580 HydrophobicContact CB-CH2 4.19Å; M545-W580 HydrophobicContact CB-CZ3 4.29Å; M545-W580 HydrophobicContact CG-CE3 4.41Å; M545-W580 HydrophobicContact CG-CH2 3.86Å; M545-W580 HydrophobicContact CG-CZ3 3.58Å; L578-W580 PolarHBondContact O-N 3Å; W580-D582 HydrophobicContact CZ2-CB 4.17Å; W580-D582 PolarHBondContact NE1-OD2 3.21Å; W580-D582 PolarHBondContact O-N 3.07Å; W580-F583 HydrophobicContact CB-CB 4.03Å; W580-F583 HydrophobicContact CD2-CB 3.94Å; W580-F583 HydrophobicContact CE3-CB 3.76Å; W580-F583 HydrophobicContact CG-CB 4.1Å; W580-F583 WeakPolarHBondContact O-CB 3.31Å; W580-F583 PolarHBondContact O-N 3.48Å; W580-I584 WeakPolarHBondContact O-CG1 3.16Å; W580-I584 PolarHBondContact O-N 2.93Å
581K96.1Very high97Very high108 Ų10848.2 Ų48.247%0.4725%0.248SC..Hα-helixtrans-51.8-50.1-174.3177.3169.6169.445.70113.7F583 I584 D585 L619K581-F583 VanDerWaalsContact C-N 3.31Å; K581-F583 PolarHBondContact O-N 3.35Å; K581-I584 PolarHBondContact O-N 3.38Å; K581-D585 WeakPolarHBondContact CG-OD2 3.24Å; K581-D585 IonicContact NZ-OD1 3.11Å; K581-D585 IonicContact NZ-OD2 2.66Å; K581-D585 PolarHBondContact NZ-OD2 3.13Å; K581-D585 PolarHBondContact O-N 3.47Å; K581-L619 HydrophobicContact CB-CD2 4.17Å
582D96.2Very high96.9Very high92 Ų9252.7 Ų52.749%0.49227%0.267SS..Hα-helixtrans-67.3-36.7-175.7-52.4-41.9000111.4W580 H586W580-D582 HydrophobicContact CZ2-CB 4.17Å; W580-D582 PolarHBondContact NE1-OD2 3.21Å; W580-D582 PolarHBondContact O-N 3.07Å; D582-H586 WeakPolarHBondContact O-CB 3.22Å; D582-H586 PolarHBondContact O-N 2.96Å
583F97.7Very high97Very high0 Ų048 Ų480%025%0.249CC..Hα-helixtrans-59.1-52.5171.5170.3-100.7000110.9L541 M545 L565 L578 W580 K581 D585 H586 I587 I605 L609L541-F583 HydrophobicContact CD1-CD2 3.78Å; L541-F583 HydrophobicContact CD1-CE2 3.79Å; L541-F583 HydrophobicContact CD1-CG 4.43Å; L541-F583 HydrophobicContact CD1-CZ 4.46Å; M545-F583 HydrophobicContact CG-CD2 4.26Å; M545-F583 HydrophobicContact SD-CB 4.14Å; M545-F583 HydrophobicContact SD-CD2 3.67Å; M545-F583 HydrophobicContact SD-CG 4.39Å; L565-F583 HydrophobicContact CD1-CE2 3.95Å; L565-F583 HydrophobicContact CD2-CE2 4.1Å; L565-F583 HydrophobicContact CG-CE2 4.48Å; L578-F583 HydrophobicContact CB-CE1 4.12Å; L578-F583 HydrophobicContact CD2-CE1 4.02Å; L578-F583 HydrophobicContact CD2-CZ 3.99Å; L578-F583 WeakPolarHBondContact O-CD1 3.44Å; W580-F583 HydrophobicContact CB-CB 4.03Å; W580-F583 HydrophobicContact CD2-CB 3.94Å; W580-F583 HydrophobicContact CE3-CB 3.76Å; W580-F583 HydrophobicContact CG-CB 4.1Å; W580-F583 WeakPolarHBondContact O-CB 3.31Å; W580-F583 PolarHBondContact O-N 3.48Å; K581-F583 VanDerWaalsContact C-N 3.31Å; K581-F583 PolarHBondContact O-N 3.35Å; F583-D585 PolarHBondContact O-N 2.93Å; F583-H586 PolarHBondContact O-N 3.48Å; F583-H586 VanDerWaalsContact O-N 3.16Å; F583-I587 HydrophobicContact CD1-CG1 4.37Å; F583-I587 HydrophobicContact CD2-CD1 4.49Å; F583-I587 HydrophobicContact CD2-CG1 4.14Å; F583-I587 HydrophobicContact CE1-CG1 4.01Å; F583-I587 HydrophobicContact CE2-CD1 3.9Å; F583-I587 HydrophobicContact CE2-CG1 3.76Å; F583-I587 HydrophobicContact CG-CG1 4.43Å; F583-I587 HydrophobicContact CZ-CD1 4.12Å; F583-I587 HydrophobicContact CZ-CG1 3.69Å; F583-I587 WeakPolarHBondContact O-CG1 3.48Å; F583-I587 PolarHBondContact O-N 3.4Å; F583-I605 HydrophobicContact CE1-CG2 4.12Å; F583-I605 HydrophobicContact CZ-CG2 3.95Å; F583-L609 HydrophobicContact CE1-CD1 4.36Å
584I98Very high96.8Very high4 Ų448.7 Ų48.72%0.02126%0.262CS..Hα-helixtrans-62.2-41.6-179.3-63.9-61.4000112.1M579 W580 K581 H586 I587 S588 L609 W617 L619 Q623 L627M579-I584 HydrophobicContact CE-CD1 4.42Å; W580-I584 WeakPolarHBondContact O-CG1 3.16Å; W580-I584 PolarHBondContact O-N 2.93Å; K581-I584 PolarHBondContact O-N 3.38Å; I584-H586 VanDerWaalsContact C-N 3.3Å; I584-H586 PolarHBondContact O-N 3.26Å; I584-I587 PolarHBondContact O-N 3.49Å; I584-S588 WeakPolarHBondContact O-CB 3.26Å; I584-S588 PolarHBondContact O-N 3.21Å; I584-L609 HydrophobicContact CD1-CD1 3.57Å; I584-W617 HydrophobicContact CD1-CH2 4.47Å; I584-W617 HydrophobicContact CG2-CH2 4.27Å; I584-W617 HydrophobicContact CG2-CZ2 4.37Å; I584-L619 HydrophobicContact CB-CD1 4.07Å; I584-L619 HydrophobicContact CG1-CD1 3.63Å; I584-L619 HydrophobicContact CG2-CD1 4.41Å; I584-Q623 HydrophobicContact CG2-CG 4.37Å; I584-L627 HydrophobicContact CG2-CD1 3.57Å
585D97Very high96.7Very high67 Ų6752.6 Ų52.636%0.35828%0.279SS..Hα-helixtrans-62.8-38.7176.6-72.7-24.9000111.2K581 F583 S588 S589 Q623K581-D585 WeakPolarHBondContact CG-OD2 3.24Å; K581-D585 IonicContact NZ-OD1 3.11Å; K581-D585 IonicContact NZ-OD2 2.66Å; K581-D585 PolarHBondContact NZ-OD2 3.13Å; K581-D585 PolarHBondContact O-N 3.47Å; F583-D585 PolarHBondContact O-N 2.93Å; D585-S588 WeakPolarHBondContact O-CB 3.45Å; D585-S588 PolarHBondContact O-N 3.03Å; D585-S589 PolarHBondContact O-N 3.39Å; D585-S589 VanDerWaalsContact O-N 3.12Å; D585-Q623 PolarHBondContact OD1-NE2 3.44Å
586H97.3Very high96.5Very high45 Ų4553 Ų5321%0.20828%0.283CS..Hα-helixtrans-70-43.4177.1-161.592.7000112.6M545 L548 D582 F583 I584 S588 S589 L590M545-H586 HydrophobicContact CE-CB 3.72Å; M545-H586 HydrophobicContact SD-CB 4.29Å; L548-H586 WeakPolarHBondContact CB-NE2 3.37Å; D582-H586 WeakPolarHBondContact O-CB 3.22Å; D582-H586 PolarHBondContact O-N 2.96Å; F583-H586 PolarHBondContact O-N 3.48Å; F583-H586 VanDerWaalsContact O-N 3.16Å; I584-H586 VanDerWaalsContact C-N 3.3Å; I584-H586 PolarHBondContact O-N 3.26Å; H586-S588 VanDerWaalsContact C-N 3.29Å; H586-S588 PolarHBondContact O-N 3.37Å; H586-S589 WeakPolarHBondContact O-CB 3.33Å; H586-S589 PolarHBondContact O-N 3.21Å; H586-L590 WeakPolarHBondContact O-CG 3.46Å; H586-L590 PolarHBondContact O-N 3.34Å; H586-L590 VanDerWaalsContact O-N 3.07Å
587I97.9Very high96.3Very high2 Ų251.8 Ų51.81%0.0127%0.269CS..Hα-helixtrans-62.4-38.7174.5-62.5-53.8000110.9L562 F583 I584 S589 L590 L591 A602 I605 I606L562-I587 HydrophobicContact CD2-CD1 3.45Å; L562-I587 VanDerWaalsContact CD2-CD1 3.45Å; F583-I587 HydrophobicContact CD1-CG1 4.37Å; F583-I587 HydrophobicContact CD2-CD1 4.49Å; F583-I587 HydrophobicContact CD2-CG1 4.14Å; F583-I587 HydrophobicContact CE1-CG1 4.01Å; F583-I587 HydrophobicContact CE2-CD1 3.9Å; F583-I587 HydrophobicContact CE2-CG1 3.76Å; F583-I587 HydrophobicContact CG-CG1 4.43Å; F583-I587 HydrophobicContact CZ-CD1 4.12Å; F583-I587 HydrophobicContact CZ-CG1 3.69Å; F583-I587 WeakPolarHBondContact O-CG1 3.48Å; F583-I587 PolarHBondContact O-N 3.4Å; I584-I587 PolarHBondContact O-N 3.49Å; I587-S589 VanDerWaalsContact C-N 3.32Å; I587-S589 PolarHBondContact O-N 3.02Å; I587-L590 PolarHBondContact O-N 3.43Å; I587-L591 PolarHBondContact O-N 2.98Å; I587-A602 HydrophobicContact CG2-CB 4.05Å; I587-I605 HydrophobicContact CD1-CD1 3.93Å; I587-I605 HydrophobicContact CG2-CB 4.32Å; I587-I605 HydrophobicContact CG2-CG2 4.26Å; I587-I606 HydrophobicContact CG2-CD1 3.98Å; I587-I606 HydrophobicContact CG2-CG1 3.79Å
588S97.4Very high96.3Very high26 Ų2647 Ų4718%0.18225%0.246CC..Hα-helixtrans-58.1-43.4173.6-167.10000112.1I584 D585 H586 L590 L591 H592 L627I584-S588 WeakPolarHBondContact O-CB 3.26Å; I584-S588 PolarHBondContact O-N 3.21Å; D585-S588 WeakPolarHBondContact O-CB 3.45Å; D585-S588 PolarHBondContact O-N 3.03Å; H586-S588 VanDerWaalsContact C-N 3.29Å; H586-S588 PolarHBondContact O-N 3.37Å; S588-L590 PolarHBondContact O-N 2.91Å; S588-L591 WeakPolarHBondContact O-CB 3.37Å; S588-L591 PolarHBondContact O-N 3.48Å; S588-H592 PolarHBondContact O-CD2 2.92Å; S588-L627 WeakPolarHBondContact OG-CD2 3.5Å
589S97.1Very high96.3Very high82 Ų8247 Ų4757%0.57325%0.247SC*.Hα-helixtrans-61-45174.4-175.40000112.1D585 H586 I587 L591 H592D585-S589 PolarHBondContact O-N 3.39Å; D585-S589 VanDerWaalsContact O-N 3.12Å; H586-S589 WeakPolarHBondContact O-CB 3.33Å; H586-S589 PolarHBondContact O-N 3.21Å; I587-S589 VanDerWaalsContact C-N 3.32Å; I587-S589 PolarHBondContact O-N 3.02Å; S589-L591 VanDerWaalsContact C-N 3.29Å; S589-L591 PolarHBondContact O-N 2.91Å; S589-H592 PolarHBondContact O-N 3.08Å; S589-H592 VanDerWaalsContact O-N 3.15Å
590L97.6Very high96.3Very high15 Ų1546.2 Ų46.28%0.07924%0.243CC..Hα-helixtrans-69.4-23-178.4-68.2173.3000113.8L548 L562 H586 I587 S588 H592 S593 V598 S599 A602L548-L590 HydrophobicContact CD1-CD1 4.04Å; L548-L590 HydrophobicContact CD2-CD1 4.21Å; L562-L590 HydrophobicContact CD1-CD1 4.15Å; L562-L590 HydrophobicContact CD2-CD1 3.93Å; L562-L590 HydrophobicContact CG-CD1 4.44Å; H586-L590 WeakPolarHBondContact O-CG 3.46Å; H586-L590 PolarHBondContact O-N 3.34Å; H586-L590 VanDerWaalsContact O-N 3.07Å; I587-L590 PolarHBondContact O-N 3.43Å; S588-L590 PolarHBondContact O-N 2.91Å; L590-H592 PolarHBondContact O-N 3.19Å; L590-S593 VanDerWaalsContact O-CB 3.25Å; L590-S593 WeakPolarHBondContact O-CB 3.38Å; L590-S593 PolarHBondContact O-N 3.49Å; L590-V598 HydrophobicContact CB-CG1 4.25Å; L590-V598 HydrophobicContact CD2-CG1 3.98Å; L590-S599 PolarHBondContact O-OG 3.06Å; L590-A602 HydrophobicContact CB-CB 4.04Å
591L97.6Very high96.4Very high1 Ų142.4 Ų42.41%0.00523%0.228CC..Hα-helixtrans-55.8-32170.918062.8000111.9I587 S588 S589 S599 A602 A603 I606 D630 L631 A634 W638I587-L591 PolarHBondContact O-N 2.98Å; S588-L591 WeakPolarHBondContact O-CB 3.37Å; S588-L591 PolarHBondContact O-N 3.48Å; S589-L591 VanDerWaalsContact C-N 3.29Å; S589-L591 PolarHBondContact O-N 2.91Å; L591-S599 VanDerWaalsContact O-CB 3.27Å; L591-S599 WeakPolarHBondContact O-CB 3.26Å; L591-S599 PolarHBondContact O-OG 2.74Å; L591-A602 HydrophobicContact CB-CB 4.5Å; L591-A603 HydrophobicContact CD1-CB 3.66Å; L591-I606 HydrophobicContact CB-CD1 4.23Å; L591-I606 HydrophobicContact CD1-CD1 4.44Å; L591-I606 HydrophobicContact CD2-CD1 3.88Å; L591-I606 HydrophobicContact CG-CD1 4.42Å; L591-D630 HydrophobicContact CD2-CB 3.81Å; L591-L631 HydrophobicContact CD1-CD1 4.48Å; L591-A634 HydrophobicContact CD1-CB 3.76Å; L591-A634 HydrophobicContact CD2-CB 4.24Å; L591-A634 HydrophobicContact CG-CB 3.79Å; L591-W638 HydrophobicContact CD1-CZ2 4.42Å
592H95.7Very high96.5Very high105 Ų10537.3 Ų37.349%0.48621%0.206SC..THydrogen-bonded Turntrans-94.616.4179-57.5-63.6000114S588 S589 L590S588-H592 PolarHBondContact O-CD2 2.92Å; S589-H592 PolarHBondContact O-N 3.08Å; S589-H592 VanDerWaalsContact O-N 3.15Å; L590-H592 PolarHBondContact O-N 3.19Å
593S95.4Very high96.6Very high33 Ų3332.9 Ų32.923%0.23118%0.183CC..  trans-55.9147.4173.4-173.70000111.9L590 E595 S599L590-S593 VanDerWaalsContact O-CB 3.25Å; L590-S593 WeakPolarHBondContact O-CB 3.38Å; L590-S593 PolarHBondContact O-N 3.49Å; S593-E595 PolarHBondContact OG-N 3.32Å; S593-S599 WeakPolarHBondContact CB-OG 3.46Å; S593-S599 PolarHBondContact N-OG 3.13Å; S593-S599 PolarHBondContact O-OG 3.4Å; S593-S599 VanDerWaalsContact O-OG 3.05Å
594V92.8Very high96.6Very high140 Ų14032.9 Ų32.985%0.84818%0.183SC*.SBendtrans-71-24.1170.7-62.60000111.7V596V594-V596 PolarHBondContact O-N 3.21Å
595E93.6Very high96.6Very high90 Ų9032.7 Ų32.742%0.42118%0.182SC..SBendtrans-87.2107.2178.4-61.7-63.2163.900109.2S593 E597 V598 S599S593-E595 PolarHBondContact OG-N 3.32Å; E595-E597 PolarHBondContact O-N 3.01Å; E595-E597 VanDerWaalsContact O-N 3.08Å; E595-V598 HydrophobicContact CB-CB 4.24Å; E595-V598 HydrophobicContact CB-CG2 3.9Å; E595-V598 WeakPolarHBondContact O-CB 3.17Å; E595-V598 PolarHBondContact O-N 2.9Å; E595-S599 PolarHBondContact O-N 3.34Å; E595-S599 VanDerWaalsContact O-N 3.14Å
596V94.1Very high96.7Very high24 Ų2429.8 Ų29.815%0.14517%0.166CC..Hα-helixtrans-54.3-32.6-177.665.40000112.3V594 V598 S599 Y600 W638 M645V594-V596 PolarHBondContact O-N 3.21Å; V596-V598 VanDerWaalsContact C-N 3.32Å; V596-V598 PolarHBondContact O-N 3.27Å; V596-S599 PolarHBondContact O-N 3.4Å; V596-Y600 WeakPolarHBondContact O-CB 3.38Å; V596-Y600 PolarHBondContact O-N 3.48Å; V596-W638 HydrophobicContact CG2-CB 3.96Å; V596-W638 HydrophobicContact CG2-CD2 4.19Å; V596-W638 HydrophobicContact CG2-CG 3.86Å; V596-M645 HydrophobicContact CG1-CE 4.45Å; V596-M645 HydrophobicContact CG1-SD 3.98Å
597E93.2Very high96.7Very high52 Ų5227.6 Ų27.624%0.24316%0.156CC..Hα-helixtrans-64.5-35.8177.4-48.1-168.1149.700113Q559 E595 F601 M645Q559-E597 VanDerWaalsContact CD-OE2 3.31Å; Q559-E597 HydrophobicContact CG-CB 4.36Å; Q559-E597 PolarHBondContact NE2-OE2 3.43Å; E595-E597 PolarHBondContact O-N 3.01Å; E595-E597 VanDerWaalsContact O-N 3.08Å; E597-F601 WeakPolarHBondContact O-CD2 3.15Å; E597-M645 HydrophobicContact CB-CE 3.98Å; E597-M645 HydrophobicContact CG-CE 3.78Å; E597-M645 HydrophobicContact CG-CG 4.06Å; E597-M645 HydrophobicContact CG-SD 4.12Å
598V96.5Very high96.7Very high0 Ų027.8 Ų27.80%016%0.157CC..Hα-helixtrans-73.8-49.6177.5176.30000109.6Q558 L562 L590 E595 V596 Y600 F601 A602Q558-V598 HydrophobicContact CB-CG1 4.28Å; Q558-V598 HydrophobicContact CB-CG2 3.97Å; L562-V598 HydrophobicContact CD1-CB 4.42Å; L562-V598 HydrophobicContact CD1-CG1 3.64Å; L562-V598 WeakPolarHBondContact CD1-O 3.45Å; L590-V598 HydrophobicContact CB-CG1 4.25Å; L590-V598 HydrophobicContact CD2-CG1 3.98Å; E595-V598 HydrophobicContact CB-CB 4.24Å; E595-V598 HydrophobicContact CB-CG2 3.9Å; E595-V598 WeakPolarHBondContact O-CB 3.17Å; E595-V598 PolarHBondContact O-N 2.9Å; V596-V598 VanDerWaalsContact C-N 3.32Å; V596-V598 PolarHBondContact O-N 3.27Å; V598-Y600 PolarHBondContact O-N 2.8Å; V598-F601 PolarHBondContact O-N 3.05Å; V598-A602 PolarHBondContact O-N 3.07Å; V598-A602 VanDerWaalsContact O-N 3.09Å
599S97.2Very high96.7Very high1 Ų126.6 Ų26.61%0.00715%0.148CC..Hα-helixtrans-58.3-37.9176.5-68.60000112.5L590 L591 S593 E595 V596 A602 A603 W638L590-S599 PolarHBondContact O-OG 3.06Å; L591-S599 VanDerWaalsContact O-CB 3.27Å; L591-S599 WeakPolarHBondContact O-CB 3.26Å; L591-S599 PolarHBondContact O-OG 2.74Å; S593-S599 WeakPolarHBondContact CB-OG 3.46Å; S593-S599 PolarHBondContact N-OG 3.13Å; S593-S599 PolarHBondContact O-OG 3.4Å; S593-S599 VanDerWaalsContact O-OG 3.05Å; E595-S599 PolarHBondContact O-N 3.34Å; E595-S599 VanDerWaalsContact O-N 3.14Å; V596-S599 PolarHBondContact O-N 3.4Å; S599-A602 PolarHBondContact O-N 3.19Å; S599-A603 VanDerWaalsContact O-CB 3.26Å; S599-A603 WeakPolarHBondContact O-CB 3.44Å; S599-A603 PolarHBondContact O-N 2.96Å; S599-W638 WeakPolarHBondContact O-CZ2 3.48Å
600Y97.4Very high96.7Very high1 Ų122.8 Ų22.80%0.00412%0.121CC..Hα-helixtrans-58.6-49179.4173.8-96.8000112.7V596 V598 G604 W638 M645 V646 Y648 W669 W672 A673V596-Y600 WeakPolarHBondContact O-CB 3.38Å; V596-Y600 PolarHBondContact O-N 3.48Å; V598-Y600 PolarHBondContact O-N 2.8Å; Y600-G604 PolarHBondContact O-N 3.34Å; Y600-G604 VanDerWaalsContact O-N 3.09Å; Y600-W638 HydrophobicContact CD2-CH2 4.4Å; Y600-W638 HydrophobicContact CD2-CZ3 4.03Å; Y600-M645 HydrophobicContact CD1-CE 4.36Å; Y600-M645 HydrophobicContact CG-CE 4.04Å; Y600-V646 HydrophobicContact CE1-CG1 4.18Å; Y600-Y648 WeakPolarHBondContact CE1-OH 3.37Å; Y600-Y648 VanDerWaalsContact CZ-OH 3.26Å; Y600-Y648 PolarHBondContact OH-OH 3.24Å; Y600-W669 AromaticContact CD2-NE1 3.87Å; Y600-W669 HydrophobicContact CE1-CZ2 4.29Å; Y600-W669 HydrophobicContact CE2-CZ2 4.27Å; Y600-W669 AromaticContact CE2-NE1 3.53Å; Y600-W669 AromaticContact CZ-CE2 3.97Å; Y600-W669 AromaticContact CZ-CZ2 3.76Å; Y600-W669 AromaticContact CZ-NE1 3.88Å; Y600-W669 PolarHBondContact O-NE1 3.05Å; Y600-W669 WeakPolarHBondContact OH-CZ2 3.28Å; Y600-W672 AromaticContact CD2-CE3 3.87Å; Y600-W672 HydrophobicContact CD2-CE3 3.87Å; Y600-W672 HydrophobicContact CD2-CH2 4.36Å; Y600-W672 AromaticContact CD2-CZ3 3.45Å; Y600-W672 HydrophobicContact CD2-CZ3 3.45Å; Y600-W672 VanDerWaalsContact CD2-CZ3 3.45Å; Y600-W672 AromaticContact CE2-CE3 3.8Å; Y600-W672 HydrophobicContact CE2-CE3 3.8Å; Y600-W672 AromaticContact CE2-CZ3 3.68Å; Y600-W672 HydrophobicContact CE2-CZ3 3.68Å; Y600-W672 HydrophobicContact CG-CZ3 4.47Å; Y600-A673 HydrophobicContact CE2-CB 3.94Å; Y600-A673 WeakPolarHBondContact OH-CB 3.4Å
601F98.1Very high96.7Very high3 Ų323.4 Ų23.41%0.01313%0.127CC..Hα-helixtrans-74.3-36179-72.8-66.4000112.5W522 Q559 L562 N566 E597 V598 A603 G604 I605 V646W522-F601 HydrophobicContact CH2-CE1 4.14Å; W522-F601 AromaticContact CH2-CE2 3.81Å; W522-F601 HydrophobicContact CH2-CE2 3.81Å; W522-F601 AromaticContact CH2-CZ 3.38Å; W522-F601 HydrophobicContact CH2-CZ 3.38Å; W522-F601 AromaticContact CZ2-CE1 3.67Å; W522-F601 HydrophobicContact CZ2-CE1 3.67Å; W522-F601 HydrophobicContact CZ2-CE2 4.2Å; W522-F601 AromaticContact CZ2-CZ 3.36Å; W522-F601 HydrophobicContact CZ2-CZ 3.36Å; Q559-F601 HydrophobicContact CG-CD2 3.96Å; Q559-F601 HydrophobicContact CG-CE2 3.62Å; L562-F601 HydrophobicContact CB-CB 3.44Å; L562-F601 VanDerWaalsContact CB-CB 3.44Å; L562-F601 HydrophobicContact CB-CG 4.3Å; L562-F601 HydrophobicContact CD1-CB 4.36Å; N566-F601 HydrophobicContact CB-CD1 4.28Å; E597-F601 WeakPolarHBondContact O-CD2 3.15Å; V598-F601 PolarHBondContact O-N 3.05Å; F601-A603 VanDerWaalsContact C-N 3.31Å; F601-A603 PolarHBondContact O-N 3.44Å; F601-G604 PolarHBondContact O-N 3.06Å; F601-I605 WeakPolarHBondContact O-CG1 3.39Å; F601-I605 PolarHBondContact O-N 2.99Å; F601-V646 HydrophobicContact CE1-CG2 4.28Å; F601-V646 HydrophobicContact CZ-CB 4.08Å; F601-V646 HydrophobicContact CZ-CG2 3.84Å
602A98.4Very high96.5Very high0 Ų026.8 Ų26.80%014%0.14CC..Hα-helixtrans-59.1-44.317300000111.3L562 I587 L590 L591 V598 S599 G604 I605 I606L562-A602 HydrophobicContact CD1-CB 4.41Å; I587-A602 HydrophobicContact CG2-CB 4.05Å; L590-A602 HydrophobicContact CB-CB 4.04Å; L591-A602 HydrophobicContact CB-CB 4.5Å; V598-A602 PolarHBondContact O-N 3.07Å; V598-A602 VanDerWaalsContact O-N 3.09Å; S599-A602 PolarHBondContact O-N 3.19Å; A602-G604 VanDerWaalsContact C-N 3.34Å; A602-G604 PolarHBondContact O-N 3.19Å; A602-I605 PolarHBondContact O-N 3.3Å; A602-I606 WeakPolarHBondContact O-CG1 3.49Å; A602-I606 PolarHBondContact O-N 2.98Å; A602-I606 VanDerWaalsContact O-N 3.08Å
603A98.4Very high96.4Very high0 Ų023.1 Ų23.10%013%0.13CC..Hα-helixtrans-61.9-38.4174.100000113L591 S599 F601 I606 A607 L631 W638L591-A603 HydrophobicContact CD1-CB 3.66Å; S599-A603 VanDerWaalsContact O-CB 3.26Å; S599-A603 WeakPolarHBondContact O-CB 3.44Å; S599-A603 PolarHBondContact O-N 2.96Å; F601-A603 VanDerWaalsContact C-N 3.31Å; F601-A603 PolarHBondContact O-N 3.44Å; A603-I606 PolarHBondContact O-N 3.01Å; A603-A607 VanDerWaalsContact O-CB 3.27Å; A603-A607 WeakPolarHBondContact O-CB 3.48Å; A603-A607 PolarHBondContact O-N 2.9Å; A603-L631 HydrophobicContact CB-CD1 3.54Å; A603-W638 HydrophobicContact CB-CH2 3.46Å; A603-W638 VanDerWaalsContact CB-CH2 3.46Å; A603-W638 HydrophobicContact CB-CZ2 3.85Å
604G98Very high96.2Very high0 Ų025.8 Ų25.80%014%0.139CC..Hα-helixtrans-62.1-46.8176.500000112.7N566 Y600 F601 A602 I606 A607 H608N566-G604 VanDerWaalsContact OD1-CA 3.27Å; N566-G604 WeakPolarHBondContact OD1-CA 3.38Å; Y600-G604 PolarHBondContact O-N 3.34Å; Y600-G604 VanDerWaalsContact O-N 3.09Å; F601-G604 PolarHBondContact O-N 3.06Å; A602-G604 VanDerWaalsContact C-N 3.34Å; A602-G604 PolarHBondContact O-N 3.19Å; G604-I606 VanDerWaalsContact C-N 3.33Å; G604-I606 PolarHBondContact O-N 2.94Å; G604-A607 PolarHBondContact O-N 3.13Å; G604-H608 PolarHBondContact O-CD2 2.91Å; G604-H608 PolarHBondContact O-N 3Å
605I98.4Very high96.2Very high0 Ų028.7 Ų28.70%014%0.143CC..Hα-helixtrans-55.1-51.8173.4-64.7162.4000109.6L562 L565 N566 A569 F583 I587 F601 A602 A607 H608 L609L562-I605 HydrophobicContact CB-CD1 4.45Å; L562-I605 HydrophobicContact CD2-CD1 3.86Å; L565-I605 HydrophobicContact CB-CD1 3.68Å; L565-I605 HydrophobicContact CB-CG1 4.32Å; N566-I605 HydrophobicContact CB-CG1 4Å; N566-I605 PolarHBondContact OD1-N 2.92Å; A569-I605 HydrophobicContact CB-CG2 4.29Å; F583-I605 HydrophobicContact CE1-CG2 4.12Å; F583-I605 HydrophobicContact CZ-CG2 3.95Å; I587-I605 HydrophobicContact CD1-CD1 3.93Å; I587-I605 HydrophobicContact CG2-CB 4.32Å; I587-I605 HydrophobicContact CG2-CG2 4.26Å; F601-I605 WeakPolarHBondContact O-CG1 3.39Å; F601-I605 PolarHBondContact O-N 2.99Å; A602-I605 PolarHBondContact O-N 3.3Å; I605-A607 VanDerWaalsContact C-N 3.35Å; I605-A607 PolarHBondContact O-N 3.47Å; I605-H608 PolarHBondContact O-N 2.92Å; I605-L609 HydrophobicContact CG2-CD1 3.79Å; I605-L609 HydrophobicContact CG2-CG 4.39Å; I605-L609 WeakPolarHBondContact O-CG 3.1Å; I605-L609 PolarHBondContact O-N 3.13Å
606I98.4Very high96.2Very high5 Ų526 Ų263%0.02614%0.136CC..Hα-helixtrans-59.5-45.7179.6-66.1164.9000111I587 L591 A602 A603 G604 H608 L609 I610 L627 L631I587-I606 HydrophobicContact CG2-CD1 3.98Å; I587-I606 HydrophobicContact CG2-CG1 3.79Å; L591-I606 HydrophobicContact CB-CD1 4.23Å; L591-I606 HydrophobicContact CD1-CD1 4.44Å; L591-I606 HydrophobicContact CD2-CD1 3.88Å; L591-I606 HydrophobicContact CG-CD1 4.42Å; A602-I606 WeakPolarHBondContact O-CG1 3.49Å; A602-I606 PolarHBondContact O-N 2.98Å; A602-I606 VanDerWaalsContact O-N 3.08Å; A603-I606 PolarHBondContact O-N 3.01Å; G604-I606 VanDerWaalsContact C-N 3.33Å; G604-I606 PolarHBondContact O-N 2.94Å; I606-H608 PolarHBondContact O-N 2.69Å; I606-L609 PolarHBondContact O-N 3.33Å; I606-I610 HydrophobicContact CG2-CD1 3.44Å; I606-I610 VanDerWaalsContact CG2-CD1 3.44Å; I606-I610 HydrophobicContact CG2-CG1 4.16Å; I606-I610 WeakPolarHBondContact O-CB 3.32Å; I606-I610 VanDerWaalsContact O-CG1 3.3Å; I606-I610 WeakPolarHBondContact O-CG1 3.27Å; I606-I610 PolarHBondContact O-N 3.03Å; I606-L627 HydrophobicContact CD1-CD2 3.98Å; I606-L627 HydrophobicContact CG1-CD2 4.41Å; I606-L627 HydrophobicContact CG2-CB 4.25Å; I606-L631 HydrophobicContact CG2-CB 4.33Å; I606-L631 HydrophobicContact CG2-CD1 4.43Å; I606-L631 HydrophobicContact CG2-CD2 4.15Å
607A98.2Very high96.3Very high0 Ų025.9 Ų25.90%013%0.133CC..Hα-helixtrans-60-47.4-179.100000111.4A603 G604 I605 I610 S611 L631 V666 W669A603-A607 VanDerWaalsContact O-CB 3.27Å; A603-A607 WeakPolarHBondContact O-CB 3.48Å; A603-A607 PolarHBondContact O-N 2.9Å; G604-A607 PolarHBondContact O-N 3.13Å; I605-A607 VanDerWaalsContact C-N 3.35Å; I605-A607 PolarHBondContact O-N 3.47Å; A607-I610 PolarHBondContact O-N 3.16Å; A607-S611 VanDerWaalsContact O-CB 3.26Å; A607-S611 WeakPolarHBondContact O-CB 3.23Å; A607-S611 PolarHBondContact O-N 3.43Å; A607-L631 HydrophobicContact CB-CD2 4.22Å; A607-V666 HydrophobicContact CB-CG1 4.37Å; A607-W669 HydrophobicContact CB-CB 4.24Å; A607-W669 HydrophobicContact CB-CD2 4.23Å; A607-W669 HydrophobicContact CB-CE3 4.09Å; A607-W669 HydrophobicContact CB-CG 4.3Å
608H98Very high96.4Very high6 Ų628.4 Ų28.43%0.02815%0.152CC..Hα-helixtrans-62.4-45176.7-80.9-66.6000112.6A569 E570 G604 I605 I606 S611 W669A569-H608 HydrophobicContact CB-CB 3.77Å; E570-H608 VanDerWaalsContact CG-CE1 3.42Å; E570-H608 WeakPolarHBondContact CG-CE1 3.3Å; E570-H608 WeakPolarHBondContact CG-NE2 3.5Å; G604-H608 PolarHBondContact O-CD2 2.91Å; G604-H608 PolarHBondContact O-N 3Å; I605-H608 PolarHBondContact O-N 2.92Å; I606-H608 PolarHBondContact O-N 2.69Å; H608-S611 PolarHBondContact O-N 3.43Å; H608-S611 PolarHBondContact O-OG 3.17Å; H608-W669 AromaticContact NE2-CH2 3.94Å; H608-W669 AromaticContact NE2-CZ3 3.79Å
609L97.4Very high96.3Very high1 Ų130.3 Ų30.31%0.00516%0.162CC..Hα-helixtrans-66.4-39.6180-64175.4000112.5A569 H575 L578 M579 F583 I584 I605 I606 W617A569-L609 HydrophobicContact CB-CD2 4.3Å; A569-L609 HydrophobicContact CB-CG 4.39Å; H575-L609 PolarHBondContact NE2-O 3.08Å; H575-L609 VanDerWaalsContact NE2-O 3.08Å; L578-L609 HydrophobicContact CB-CD1 4.4Å; L578-L609 HydrophobicContact CB-CD2 3.85Å; L578-L609 HydrophobicContact CD1-CD2 3.84Å; M579-L609 HydrophobicContact CE-CB 4.01Å; M579-L609 HydrophobicContact CE-CD1 3.87Å; M579-L609 HydrophobicContact CE-CD2 3.73Å; M579-L609 HydrophobicContact CE-CG 4.06Å; F583-L609 HydrophobicContact CE1-CD1 4.36Å; I584-L609 HydrophobicContact CD1-CD1 3.57Å; I605-L609 HydrophobicContact CG2-CD1 3.79Å; I605-L609 HydrophobicContact CG2-CG 4.39Å; I605-L609 WeakPolarHBondContact O-CG 3.1Å; I605-L609 PolarHBondContact O-N 3.13Å; I606-L609 PolarHBondContact O-N 3.33Å; L609-W617 HydrophobicContact CB-CZ3 4.19Å
610I96.6Very high96.2Very high1 Ų133 Ų331%0.00518%0.181CC..Hα-helixtrans-71.6-35.9178.2-72.6178.7000111.7I606 A607 R612 G613 W617 L627 L628 T663 V666I606-I610 HydrophobicContact CG2-CD1 3.44Å; I606-I610 VanDerWaalsContact CG2-CD1 3.44Å; I606-I610 HydrophobicContact CG2-CG1 4.16Å; I606-I610 WeakPolarHBondContact O-CB 3.32Å; I606-I610 VanDerWaalsContact O-CG1 3.3Å; I606-I610 WeakPolarHBondContact O-CG1 3.27Å; I606-I610 PolarHBondContact O-N 3.03Å; A607-I610 PolarHBondContact O-N 3.16Å; I610-R612 PolarHBondContact O-N 2.82Å; I610-R612 VanDerWaalsContact O-N 3.07Å; I610-G613 PolarHBondContact O-N 3.47Å; I610-W617 HydrophobicContact CG1-CZ3 4.1Å; I610-L627 HydrophobicContact CD1-CB 4.17Å; I610-L628 HydrophobicContact CD1-CD2 3.96Å; I610-L628 HydrophobicContact CD1-CG 4.03Å; I610-L628 HydrophobicContact CG2-CD2 3.53Å; I610-L628 HydrophobicContact CG2-CG 4.3Å; I610-T663 HydrophobicContact CG2-CG2 4.18Å; I610-V666 HydrophobicContact CB-CG2 4.16Å; I610-V666 HydrophobicContact CG2-CG2 3.71Å
611S96.4Very high96Very high28 Ų2840.7 Ų40.720%0.19621%0.21CC..Hα-helixtrans-57.2-24.2-17876.30000113.7A607 H608 G613 L657A607-S611 VanDerWaalsContact O-CB 3.26Å; A607-S611 WeakPolarHBondContact O-CB 3.23Å; A607-S611 PolarHBondContact O-N 3.43Å; H608-S611 PolarHBondContact O-N 3.43Å; H608-S611 PolarHBondContact O-OG 3.17Å; S611-G613 PolarHBondContact O-N 3.14Å; S611-L657 VanDerWaalsContact CB-CD2 3.47Å
612R94.5Very high95.8Very high73 Ų7344.6 Ų44.628%0.27524%0.238SC..THydrogen-bonded Turntrans-70.3-7.9177.8-56.3-54.4-178.1172.3-2.7113.7E570 Q572 H575 I610 A616E570-R612 PolarHBondContact O-NH2 3.05Å; Q572-R612 VanDerWaalsContact OE1-NH1 3.13Å; H575-R612 VanDerWaalsContact CD2-CG 3.45Å; H575-R612 WeakPolarHBondContact CD2-CG 3.45Å; I610-R612 PolarHBondContact O-N 2.82Å; I610-R612 VanDerWaalsContact O-N 3.07Å; R612-A616 HydrophobicContact CB-CB 3.69Å
613G92.8Very high95.6Very high28 Ų2845.8 Ų45.829%0.28924%0.244SC..  trans87.6168.5177.400000113.2I610 S611 Q615 A616I610-G613 PolarHBondContact O-N 3.47Å; S611-G613 PolarHBondContact O-N 3.14Å; G613-Q615 PolarHBondContact O-N 2.83Å; G613-A616 PolarHBondContact O-N 3.34Å
614E92.1Very high95.5Very high88 Ų8846.8 Ų46.841%0.41125%0.248SC..G310 helixtrans-62.8-30.7-175.3-173.9170.9-164.200112.9A616 W617 R621E614-A616 VanDerWaalsContact C-N 3.33Å; E614-A616 PolarHBondContact O-N 3.21Å; E614-W617 WeakPolarHBondContact O-CB 3.46Å; E614-W617 PolarHBondContact O-N 3.02Å; E614-R621 IonicContact OE1-CZ 3.19Å; E614-R621 IonicContact OE1-NE 3.58Å; E614-R621 PolarHBondContact OE1-NE 3.44Å; E614-R621 IonicContact OE1-NH2 3.44Å; E614-R621 PolarHBondContact OE1-NH2 3.29Å; E614-R621 IonicContact OE2-NH2 2.95Å; E614-R621 PolarHBondContact OE2-NH2 3.27Å
615Q92.5Very high95.4Very high202 Ų20250.1 Ų50.194%0.94427%0.265SS*.G310 helixtrans-67.7-30.2-179-66.4-178.5-12.400113.6G613 W617G613-Q615 PolarHBondContact O-N 2.83Å; Q615-W617 VanDerWaalsContact C-N 3.32Å
616A94Very high95.2Very high33 Ų3352.9 Ų52.927%0.27329%0.285SS..G310 helixtrans-80.1-17.4176.900000112.2H575 R612 G613 E614 T618H575-A616 PolarHBondContact CE1-O 3.31Å; R612-A616 HydrophobicContact CB-CB 3.69Å; G613-A616 PolarHBondContact O-N 3.34Å; E614-A616 VanDerWaalsContact C-N 3.33Å; E614-A616 PolarHBondContact O-N 3.21Å; A616-T618 PolarHBondContact O-N 2.95Å
617W95.5Very high95.1Very high22 Ų2252.8 Ų52.88%0.08328%0.284CS..  trans-81.6105.6-176.2-168.6-85.6000111.4M579 I584 L609 I610 E614 Q615 L619 S620 R624 L627M579-W617 HydrophobicContact CE-CE3 4.31Å; M579-W617 HydrophobicContact CE-CZ3 4.18Å; M579-W617 HydrophobicContact SD-CD2 4.22Å; M579-W617 HydrophobicContact SD-CE3 4.02Å; M579-W617 HydrophobicContact SD-CZ3 4.36Å; I584-W617 HydrophobicContact CD1-CH2 4.47Å; I584-W617 HydrophobicContact CG2-CH2 4.27Å; I584-W617 HydrophobicContact CG2-CZ2 4.37Å; L609-W617 HydrophobicContact CB-CZ3 4.19Å; I610-W617 HydrophobicContact CG1-CZ3 4.1Å; E614-W617 WeakPolarHBondContact O-CB 3.46Å; E614-W617 PolarHBondContact O-N 3.02Å; Q615-W617 VanDerWaalsContact C-N 3.32Å; W617-L619 VanDerWaalsContact CD1-O 3.32Å; W617-S620 PolarHBondContact NE1-O 3.09Å; W617-R624 HydrophobicContact CD2-CB 4.06Å; W617-R624 HydrophobicContact CD2-CG 3.83Å; W617-R624 HydrophobicContact CE3-CG 4.26Å; W617-R624 HydrophobicContact CG-CB 4.16Å; W617-R624 HydrophobicContact CG-CG 4.02Å; W617-R624 HydrophobicContact CZ2-CB 4.21Å; W617-R624 HydrophobicContact CZ2-CG 4.5Å; W617-L627 HydrophobicContact CH2-CD1 3.52Å; W617-L627 HydrophobicContact CZ2-CD1 3.79Å
618T95Very high95Very high104 Ų10454.4 Ų54.464%0.63829%0.293SS*.  trans-90.8-11.4-175.258.90000114.3M579 A616M579-T618 VanDerWaalsContact CB-OG1 3.23Å; M579-T618 WeakPolarHBondContact CB-OG1 3.43Å; A616-T618 PolarHBondContact O-N 2.95Å
619L95Very high94.8Very high41 Ų4159.4 Ų59.422%0.21532%0.319CS..SBendtrans-83.8-174.5175.4-59175.5000111.4K581 I584 W617K581-L619 HydrophobicContact CB-CD2 4.17Å; I584-L619 HydrophobicContact CB-CD1 4.07Å; I584-L619 HydrophobicContact CG1-CD1 3.63Å; I584-L619 HydrophobicContact CG2-CD1 4.41Å; W617-L619 VanDerWaalsContact CD1-O 3.32Å
620S94.7Very high94.8Very high58 Ų5861.2 Ų61.241%0.40633%0.329SS..  trans-67.2141.2-174.875.30000112.4W617 S622 Q623 R624W617-S620 PolarHBondContact NE1-O 3.09Å; S620-S622 PolarHBondContact O-N 3.22Å; S620-S622 PolarHBondContact OG-OG 3.21Å; S620-Q623 PolarHBondContact O-N 3.02Å; S620-Q623 VanDerWaalsContact OG-CB 3.24Å; S620-Q623 WeakPolarHBondContact OG-CB 3.37Å; S620-Q623 PolarHBondContact OG-N 3.33Å; S620-R624 PolarHBondContact O-N 3.23Å; S620-R624 VanDerWaalsContact O-N 3.12Å
621R94Very high94.9Very high161 Ų16161.2 Ų61.261%0.60833%0.329SS*.Hα-helixtrans-59.9-35175.9-168.6-178.9-162-174.69.1112.4E614 R624 N625E614-R621 IonicContact OE1-CZ 3.19Å; E614-R621 IonicContact OE1-NE 3.58Å; E614-R621 PolarHBondContact OE1-NE 3.44Å; E614-R621 IonicContact OE1-NH2 3.44Å; E614-R621 PolarHBondContact OE1-NH2 3.29Å; E614-R621 IonicContact OE2-NH2 2.95Å; E614-R621 PolarHBondContact OE2-NH2 3.27Å; R621-R624 WeakPolarHBondContact O-CB 3.42Å; R621-R624 PolarHBondContact O-N 3.48Å; R621-N625 VanDerWaalsContact O-CG 3.29Å; R621-N625 PolarHBondContact O-N 3.42Å
622S94.5Very high94.9Very high86 Ų8661.7 Ų61.760%0.60133%0.328SS*.Hα-helixtrans-64.8-42176.552.30000112.2S620 N625 S626S620-S622 PolarHBondContact O-N 3.22Å; S620-S622 PolarHBondContact OG-OG 3.21Å; S622-N625 PolarHBondContact O-N 3.42Å; S622-S626 PolarHBondContact O-N 3.3Å
623Q94.3Very high94.9Very high25 Ų2560.7 Ų60.712%0.11733%0.333CS..Hα-helixtrans-63.8-42.2175.6-171.9-174.141.200110.8I584 D585 S620 N625 S626 L627I584-Q623 HydrophobicContact CG2-CG 4.37Å; D585-Q623 PolarHBondContact OD1-NE2 3.44Å; S620-Q623 PolarHBondContact O-N 3.02Å; S620-Q623 VanDerWaalsContact OG-CB 3.24Å; S620-Q623 WeakPolarHBondContact OG-CB 3.37Å; S620-Q623 PolarHBondContact OG-N 3.33Å; Q623-N625 VanDerWaalsContact C-N 3.34Å; Q623-N625 PolarHBondContact O-N 3.46Å; Q623-S626 PolarHBondContact O-N 2.89Å; Q623-L627 HydrophobicContact CG-CD1 4.31Å; Q623-L627 WeakPolarHBondContact O-CG 3.48Å; Q623-L627 PolarHBondContact O-N 2.83Å
624R95.8Very high95.1Very high21 Ų2159.7 Ų59.78%0.07932%0.322CS..Hα-helixtrans-57.1-46.4174.7-167.2-178.6173.1-80.6-5.7112.4W617 S620 R621 L627 L628W617-R624 HydrophobicContact CD2-CB 4.06Å; W617-R624 HydrophobicContact CD2-CG 3.83Å; W617-R624 HydrophobicContact CE3-CG 4.26Å; W617-R624 HydrophobicContact CG-CB 4.16Å; W617-R624 HydrophobicContact CG-CG 4.02Å; W617-R624 HydrophobicContact CZ2-CB 4.21Å; W617-R624 HydrophobicContact CZ2-CG 4.5Å; S620-R624 PolarHBondContact O-N 3.23Å; S620-R624 VanDerWaalsContact O-N 3.12Å; R621-R624 WeakPolarHBondContact O-CB 3.42Å; R621-R624 PolarHBondContact O-N 3.48Å; R624-L627 PolarHBondContact O-N 2.82Å; R624-L628 VanDerWaalsContact NH1-CD1 3.34Å; R624-L628 PolarHBondContact O-N 3.24Å
625N95.1Very high95.3Very high69 Ų6955.7 Ų55.737%0.36930%0.303SS..Hα-helixtrans-68.7-40.3-178.2-68.6-10.6000111.7R621 S622 Q623 L627 L628 D629R621-N625 VanDerWaalsContact O-CG 3.29Å; R621-N625 PolarHBondContact O-N 3.42Å; S622-N625 PolarHBondContact O-N 3.42Å; Q623-N625 VanDerWaalsContact C-N 3.34Å; Q623-N625 PolarHBondContact O-N 3.46Å; N625-L627 VanDerWaalsContact C-N 3.34Å; N625-L627 PolarHBondContact O-N 3.09Å; N625-L628 WeakPolarHBondContact O-CB 3.46Å; N625-L628 PolarHBondContact O-N 3.34Å; N625-D629 PolarHBondContact O-N 3.01Å; N625-D629 VanDerWaalsContact O-N 3.17Å
626S95.2Very high95.5Very high59 Ų5949.8 Ų49.841%0.41328%0.278SS..Hα-helixtrans-57.1-48.6172.6-1670000111.1S622 Q623 L628 D629 D630S622-S626 PolarHBondContact O-N 3.3Å; Q623-S626 PolarHBondContact O-N 2.89Å; S626-L628 VanDerWaalsContact C-N 3.29Å; S626-L628 PolarHBondContact O-N 3.3Å; S626-D629 PolarHBondContact O-N 3.36Å; S626-D629 VanDerWaalsContact O-N 3.15Å; S626-D630 WeakPolarHBondContact O-CB 3.38Å; S626-D630 VanDerWaalsContact O-CG 3.22Å; S626-D630 PolarHBondContact O-N 3.31Å; S626-D630 VanDerWaalsContact O-OD2 3.07Å; S626-D630 PolarHBondContact OG-OD2 3.02Å; S626-D630 VanDerWaalsContact OG-OD2 3.09Å
627L96.3Very high95.5Very high3 Ų356.1 Ų56.12%0.01630%0.299CS..Hα-helixtrans-62.7-34.3179.8-72.7169.8000113.2I584 S588 I606 I610 W617 Q623 R624 N625 L631I584-L627 HydrophobicContact CG2-CD1 3.57Å; S588-L627 WeakPolarHBondContact OG-CD2 3.5Å; I606-L627 HydrophobicContact CD1-CD2 3.98Å; I606-L627 HydrophobicContact CG1-CD2 4.41Å; I606-L627 HydrophobicContact CG2-CB 4.25Å; I610-L627 HydrophobicContact CD1-CB 4.17Å; W617-L627 HydrophobicContact CH2-CD1 3.52Å; W617-L627 HydrophobicContact CZ2-CD1 3.79Å; Q623-L627 HydrophobicContact CG-CD1 4.31Å; Q623-L627 WeakPolarHBondContact O-CG 3.48Å; Q623-L627 PolarHBondContact O-N 2.83Å; R624-L627 PolarHBondContact O-N 2.82Å; N625-L627 VanDerWaalsContact C-N 3.34Å; N625-L627 PolarHBondContact O-N 3.09Å; L627-L631 WeakPolarHBondContact O-CB 3.49Å; L627-L631 PolarHBondContact O-N 2.87Å
628L95.5Very high95.5Very high34 Ų3456.6 Ų56.618%0.17830%0.301CS..Hα-helixtrans-61.6-47.9173.6-83.7170.5000111.5I610 R624 N625 S626 H632 T663I610-L628 HydrophobicContact CD1-CD2 3.96Å; I610-L628 HydrophobicContact CD1-CG 4.03Å; I610-L628 HydrophobicContact CG2-CD2 3.53Å; I610-L628 HydrophobicContact CG2-CG 4.3Å; R624-L628 VanDerWaalsContact NH1-CD1 3.34Å; R624-L628 PolarHBondContact O-N 3.24Å; N625-L628 WeakPolarHBondContact O-CB 3.46Å; N625-L628 PolarHBondContact O-N 3.34Å; S626-L628 VanDerWaalsContact C-N 3.29Å; S626-L628 PolarHBondContact O-N 3.3Å; L628-H632 PolarHBondContact O-N 3.45Å; L628-T663 HydrophobicContact CD2-CG2 3.97Å
629D94.2Very high95.3Very high110 Ų11055.6 Ų55.659%0.58830%0.296SS*.Hα-helixtrans-68.4-42-179.4-68-23.2000111.2N625 S626 S633N625-D629 PolarHBondContact O-N 3.01Å; N625-D629 VanDerWaalsContact O-N 3.17Å; S626-D629 PolarHBondContact O-N 3.36Å; S626-D629 VanDerWaalsContact O-N 3.15Å; D629-S633 WeakPolarHBondContact O-CB 3.38Å; D629-S633 PolarHBondContact O-N 3.38Å; D629-S633 PolarHBondContact O-OG 3.41Å
630D97Very high94.9Very high40 Ų4059.1 Ų59.121%0.21432%0.319CS..Hα-helixtrans-66-44178.5-69.2-35.7000111.2L591 S626 H632 S633 A634L591-D630 HydrophobicContact CD2-CB 3.81Å; S626-D630 WeakPolarHBondContact O-CB 3.38Å; S626-D630 VanDerWaalsContact O-CG 3.22Å; S626-D630 PolarHBondContact O-N 3.31Å; S626-D630 VanDerWaalsContact O-OD2 3.07Å; S626-D630 PolarHBondContact OG-OD2 3.02Å; S626-D630 VanDerWaalsContact OG-OD2 3.09Å; D630-H632 PolarHBondContact O-N 2.94Å; D630-S633 PolarHBondContact O-N 3.19Å; D630-A634 WeakPolarHBondContact O-CB 3.35Å; D630-A634 PolarHBondContact O-N 2.92Å
631L97.8Very high94.6Very high0 Ų057 Ų570%030%0.304CS..Hα-helixtrans-57.1-53.3177.9177.365.7000110.7L591 A603 I606 A607 L627 S633 A634 I635 V666L591-L631 HydrophobicContact CD1-CD1 4.48Å; A603-L631 HydrophobicContact CB-CD1 3.54Å; I606-L631 HydrophobicContact CG2-CB 4.33Å; I606-L631 HydrophobicContact CG2-CD1 4.43Å; I606-L631 HydrophobicContact CG2-CD2 4.15Å; A607-L631 HydrophobicContact CB-CD2 4.22Å; L627-L631 WeakPolarHBondContact O-CB 3.49Å; L627-L631 PolarHBondContact O-N 2.87Å; L631-S633 PolarHBondContact O-N 3.45Å; L631-A634 PolarHBondContact O-N 3.29Å; L631-I635 HydrophobicContact CD1-CD1 3.8Å; L631-I635 HydrophobicContact CD1-CG1 4.43Å; L631-I635 HydrophobicContact CG-CD1 3.94Å; L631-I635 VanDerWaalsContact O-CD1 3.28Å; L631-I635 WeakPolarHBondContact O-CD1 3.48Å; L631-I635 VanDerWaalsContact O-CG1 3.26Å; L631-I635 WeakPolarHBondContact O-CG1 3.31Å; L631-I635 PolarHBondContact O-N 3.05Å; L631-V666 HydrophobicContact CD2-CG2 4.42Å
632H96.2Very high94.3Very high39 Ų3958.2 Ų58.218%0.18132%0.317CS..Hα-helixtrans-61.6-45.1-179.9-169.9-89.1000111.4L628 D630 A634 L636 D708L628-H632 PolarHBondContact O-N 3.45Å; D630-H632 PolarHBondContact O-N 2.94Å; H632-A634 PolarHBondContact O-N 3Å; H632-L636 WeakPolarHBondContact O-CG 3.31Å; H632-L636 PolarHBondContact O-N 3.4Å; H632-D708 IonicContact NE2-OD1 2.71Å; H632-D708 IonicContact NE2-OD2 3.69Å
633S96.3Very high94Very high52 Ų5258 Ų5836%0.36431%0.314SS..Hα-helixtrans-68.1-33.2-178.6-61.70000113.6D629 D630 L631 K637D629-S633 WeakPolarHBondContact O-CB 3.38Å; D629-S633 PolarHBondContact O-N 3.38Å; D629-S633 PolarHBondContact O-OG 3.41Å; D630-S633 PolarHBondContact O-N 3.19Å; L631-S633 PolarHBondContact O-N 3.45Å; S633-K637 WeakPolarHBondContact O-CD 3.48Å; S633-K637 WeakPolarHBondContact O-CG 3.45Å
634A96.8Very high93.6Very high7 Ų759.9 Ų59.96%0.05832%0.323CS..Hα-helixtrans-70.8-47.6179.300000111.3L591 D630 L631 H632 L636 K637 W638L591-A634 HydrophobicContact CD1-CB 3.76Å; L591-A634 HydrophobicContact CD2-CB 4.24Å; L591-A634 HydrophobicContact CG-CB 3.79Å; D630-A634 WeakPolarHBondContact O-CB 3.35Å; D630-A634 PolarHBondContact O-N 2.92Å; L631-A634 PolarHBondContact O-N 3.29Å; H632-A634 PolarHBondContact O-N 3Å; A634-L636 VanDerWaalsContact C-N 3.31Å; A634-L636 PolarHBondContact O-N 3.23Å; A634-K637 PolarHBondContact O-N 3.17Å; A634-W638 PolarHBondContact O-N 3.46Å; A634-W638 PolarHBondContact O-NE1 2.79Å
635I96.8Very high93.3Very high3 Ų359.6 Ų59.62%0.01532%0.323CS..Hα-helixtrans-60.4-41.2-177.1-61.5157.4000111.4L631 K637 W638 L668 W669 W672L631-I635 HydrophobicContact CD1-CD1 3.8Å; L631-I635 HydrophobicContact CD1-CG1 4.43Å; L631-I635 HydrophobicContact CG-CD1 3.94Å; L631-I635 VanDerWaalsContact O-CD1 3.28Å; L631-I635 WeakPolarHBondContact O-CD1 3.48Å; L631-I635 VanDerWaalsContact O-CG1 3.26Å; L631-I635 WeakPolarHBondContact O-CG1 3.31Å; L631-I635 PolarHBondContact O-N 3.05Å; I635-K637 PolarHBondContact O-N 3.09Å; I635-W638 HydrophobicContact CB-CE3 4.23Å; I635-W638 HydrophobicContact CB-CH2 4.45Å; I635-W638 HydrophobicContact CB-CZ3 4.15Å; I635-W638 HydrophobicContact CG1-CE3 4.25Å; I635-W638 HydrophobicContact CG1-CH2 3.62Å; I635-W638 HydrophobicContact CG1-CZ2 4.15Å; I635-W638 HydrophobicContact CG1-CZ3 3.69Å; I635-W638 HydrophobicContact CG2-CE3 4.01Å; I635-W638 HydrophobicContact CG2-CZ3 4Å; I635-W638 PolarHBondContact O-N 3.32Å; I635-L668 HydrophobicContact CB-CD2 3.97Å; I635-L668 HydrophobicContact CB-CG 4.27Å; I635-L668 HydrophobicContact CD1-CB 4.34Å; I635-L668 HydrophobicContact CD1-CD2 4.34Å; I635-L668 HydrophobicContact CD1-CG 4.31Å; I635-L668 HydrophobicContact CG2-CD2 3.94Å; I635-L668 HydrophobicContact CG2-CG 3.77Å; I635-W669 HydrophobicContact CD1-CB 3.73Å; I635-W672 HydrophobicContact CG2-CB 4.15Å; I635-W672 HydrophobicContact CG2-CG 4.04Å
636L94.9Very high93.1Very high79 Ų7957 Ų5741%0.41431%0.309SS..THydrogen-bonded Turntrans-65.9-18.8178.6-67.6179.9000114H632 A634 L668 H710H632-L636 WeakPolarHBondContact O-CG 3.31Å; H632-L636 PolarHBondContact O-N 3.4Å; A634-L636 VanDerWaalsContact C-N 3.31Å; A634-L636 PolarHBondContact O-N 3.23Å; L636-L668 HydrophobicContact CD2-CD1 4.48Å; L636-L668 HydrophobicContact CD2-CD2 3.83Å; L636-L668 HydrophobicContact CG-CD2 3.94Å; L636-H710 HydrophobicContact CD2-CB 4.03Å
637K94.8Very high92.9Very high166 Ų16656.7 Ų56.772%0.72231%0.31SS*.THydrogen-bonded Turntrans-93.3-10.9179.3-68.5171.5-172.8172.10113S633 A634 I635S633-K637 WeakPolarHBondContact O-CD 3.48Å; S633-K637 WeakPolarHBondContact O-CG 3.45Å; A634-K637 PolarHBondContact O-N 3.17Å; I635-K637 PolarHBondContact O-N 3.09Å
638W95Very high92.7Very high31 Ų3157.8 Ų57.812%0.11731%0.314CS..PPolyproline II helixtrans-68.5136.7-176.3-68-21.3000111.8L591 V596 S599 Y600 A603 A634 I635 W672L591-W638 HydrophobicContact CD1-CZ2 4.42Å; V596-W638 HydrophobicContact CG2-CB 3.96Å; V596-W638 HydrophobicContact CG2-CD2 4.19Å; V596-W638 HydrophobicContact CG2-CG 3.86Å; S599-W638 WeakPolarHBondContact O-CZ2 3.48Å; Y600-W638 HydrophobicContact CD2-CH2 4.4Å; Y600-W638 HydrophobicContact CD2-CZ3 4.03Å; A603-W638 HydrophobicContact CB-CH2 3.46Å; A603-W638 VanDerWaalsContact CB-CH2 3.46Å; A603-W638 HydrophobicContact CB-CZ2 3.85Å; A634-W638 PolarHBondContact O-N 3.46Å; A634-W638 PolarHBondContact O-NE1 2.79Å; I635-W638 HydrophobicContact CB-CE3 4.23Å; I635-W638 HydrophobicContact CB-CH2 4.45Å; I635-W638 HydrophobicContact CB-CZ3 4.15Å; I635-W638 HydrophobicContact CG1-CE3 4.25Å; I635-W638 HydrophobicContact CG1-CH2 3.62Å; I635-W638 HydrophobicContact CG1-CZ2 4.15Å; I635-W638 HydrophobicContact CG1-CZ3 3.69Å; I635-W638 HydrophobicContact CG2-CE3 4.01Å; I635-W638 HydrophobicContact CG2-CZ3 4Å; I635-W638 PolarHBondContact O-N 3.32Å; W638-W672 HydrophobicContact CB-CZ2 4.3Å; W638-W672 HydrophobicContact CE3-CD2 4.08Å; W638-W672 AromaticContact CE3-CE2 3.86Å; W638-W672 HydrophobicContact CE3-CE3 4.32Å; W638-W672 HydrophobicContact CE3-CH2 4.24Å; W638-W672 AromaticContact CE3-CZ2 3.96Å; W638-W672 HydrophobicContact CE3-CZ2 3.96Å; W638-W672 HydrophobicContact CE3-CZ3 4.42Å; W638-W672 HydrophobicContact CZ3-CD2 4.3Å; W638-W672 HydrophobicContact CZ3-CE3 4.26Å; W638-W672 HydrophobicContact CZ3-CZ3 4.5Å
639P91.2Very high92.3Very high84 Ų8458.4 Ų58.455%0.54531%0.314SS..PPolyproline II helixtrans-67.3152.8169.730.7-34.3000109.8P641P639-P641 VanDerWaalsContact O-CD 3.24Å; P639-P641 WeakPolarHBondContact O-CD 3.43Å
640T87.3Confident92.3Very high115 Ų11553.5 Ų53.571%0.70629%0.289SS*.PPolyproline II helixtrans-67.4117.4167.1-53.40000108.6
641P88.3Confident92.2Very high13 Ų1351.6 Ų51.68%0.08428%0.279CS..PPolyproline II helixtrans-64.7150.9-177.9-16.829.7000111.1P639 M645 W672 K680P639-P641 VanDerWaalsContact O-CD 3.24Å; P639-P641 WeakPolarHBondContact O-CD 3.43Å; P641-M645 HydrophobicContact CB-CG 4Å; P641-M645 HydrophobicContact CB-SD 3.48Å; P641-M645 WeakPolarHBondContact CB-SD 3.45Å; P641-M645 HydrophobicContact CG-CG 4.32Å; P641-M645 HydrophobicContact CG-SD 3.22Å; P641-M645 WeakPolarHBondContact CG-SD 3.33Å; P641-W672 HydrophobicContact CG-CH2 3.76Å; P641-W672 HydrophobicContact CG-CZ2 4.16Å; P641-K680 WeakPolarHBondContact O-CE 3.35Å; P641-K680 PolarHBondContact O-NZ 3.04Å
642E86.8Confident92Very high187 Ų18755.5 Ų55.587%0.87430%0.299SS*.SBendtrans-77.4-40.9-178.5-66.3-173172.100112.4K680E642-K680 WeakPolarHBondContact O-CE 3.34Å; E642-K680 PolarHBondContact O-NZ 3.45Å
643C88.4Confident91.9Very high80 Ų8055 Ų5554%0.54130%0.299SS..SBendtrans-113.3167.8-178.559.50000112.7M645 H676C643-M645 PolarHBondContact O-N 2.8Å; C643-H676 PolarHBondContact O-CE1 3.36Å
644E86.6Confident92Very high65 Ų6552.8 Ų52.830%0.30428%0.283SS..  trans-64.6117169.2-174.1-178.2126.400109.3K680 N681 Y685E644-K680 HydrophobicContact CB-CB 4.28Å; E644-N681 WeakPolarHBondContact OE2-CB 3.44Å; E644-N681 PolarHBondContact OE2-ND2 3.3Å; E644-Y685 PolarHBondContact OE1-OH 3.48Å
645M89.7Confident92Very high16 Ų1653.4 Ų53.48%0.07929%0.285CS..  trans-85.9-27-176.9-71.4168.433.500113.2V596 E597 Y600 P641 C643 H676V596-M645 HydrophobicContact CG1-CE 4.45Å; V596-M645 HydrophobicContact CG1-SD 3.98Å; E597-M645 HydrophobicContact CB-CE 3.98Å; E597-M645 HydrophobicContact CG-CE 3.78Å; E597-M645 HydrophobicContact CG-CG 4.06Å; E597-M645 HydrophobicContact CG-SD 4.12Å; Y600-M645 HydrophobicContact CD1-CE 4.36Å; Y600-M645 HydrophobicContact CG-CE 4.04Å; P641-M645 HydrophobicContact CB-CG 4Å; P641-M645 HydrophobicContact CB-SD 3.48Å; P641-M645 WeakPolarHBondContact CB-SD 3.45Å; P641-M645 HydrophobicContact CG-CG 4.32Å; P641-M645 HydrophobicContact CG-SD 3.22Å; P641-M645 WeakPolarHBondContact CG-SD 3.33Å; C643-M645 PolarHBondContact O-N 2.8Å; M645-H676 PolarHBondContact N-NE2 3.37Å
646V90.1Very high91.9Very high14 Ų1457.2 Ų57.29%0.08531%0.31CS..  trans-155.1143.6-171.258.40000108.9W522 Y600 F601 Y648W522-V646 HydrophobicContact CZ2-CG2 4.21Å; Y600-V646 HydrophobicContact CE1-CG1 4.18Å; F601-V646 HydrophobicContact CE1-CG2 4.28Å; F601-V646 HydrophobicContact CZ-CB 4.08Å; F601-V646 HydrophobicContact CZ-CG2 3.84Å; V646-Y648 HydrophobicContact CG1-CE2 3.86Å; V646-Y648 VanDerWaalsContact CG1-OH 3.23Å; V646-Y648 WeakPolarHBondContact CG1-OH 3.44Å; V646-Y648 HydrophobicContact CG2-CE1 4.24Å
647A90Very high92.1Very high52 Ų5253.5 Ų53.543%0.4329%0.29SS..  trans-111116.9179.900000111.1Y685A647-Y685 WeakPolarHBondContact CA-OH 3.35Å; A647-Y685 WeakPolarHBondContact CB-OH 3.47Å
648Y92.2Very high92.2Very high27 Ų2745.8 Ų45.811%0.10626%0.257CS..  trans-82.7143.7174.8-62.9-65.3000113.4Y600 V646 F654 V677 R684 Y685Y600-Y648 WeakPolarHBondContact CE1-OH 3.37Å; Y600-Y648 VanDerWaalsContact CZ-OH 3.26Å; Y600-Y648 PolarHBondContact OH-OH 3.24Å; V646-Y648 HydrophobicContact CG1-CE2 3.86Å; V646-Y648 VanDerWaalsContact CG1-OH 3.23Å; V646-Y648 WeakPolarHBondContact CG1-OH 3.44Å; V646-Y648 HydrophobicContact CG2-CE1 4.24Å; Y648-F654 AromaticContact CD1-CE2 3.87Å; Y648-F654 HydrophobicContact CD1-CE2 3.87Å; Y648-F654 HydrophobicContact CD1-CZ 4.1Å; Y648-F654 HydrophobicContact CD2-CE2 4.31Å; Y648-F654 HydrophobicContact CD2-CZ 4.43Å; Y648-F654 AromaticContact CE1-CE2 3.86Å; Y648-F654 HydrophobicContact CE1-CE2 3.86Å; Y648-F654 AromaticContact CE1-CZ 3.61Å; Y648-F654 HydrophobicContact CE1-CZ 3.61Å; Y648-F654 HydrophobicContact CE2-CE2 4.29Å; Y648-F654 AromaticContact CE2-CZ 3.95Å; Y648-F654 HydrophobicContact CE2-CZ 3.95Å; Y648-F654 HydrophobicContact CG-CE2 4.14Å; Y648-F654 AromaticContact CZ-CZ 3.55Å; Y648-V677 HydrophobicContact CD2-CB 4.49Å; Y648-V677 HydrophobicContact CD2-CG1 3.81Å; Y648-V677 HydrophobicContact CD2-CG2 4.12Å; Y648-V677 HydrophobicContact CE2-CG1 3.7Å; Y648-V677 HydrophobicContact CE2-CG2 4.46Å; Y648-R684 PolarHBondContact O-NH2 3.31Å; Y648-Y685 PolarHBondContact N-OH 3.42Å
649R89Confident92.2Very high47 Ų4746.4 Ų46.418%0.17727%0.273CS..SBendtrans-84.4-34.8167-62.3-169.8-161.2-139.70.6112A476 L479 T484 N523 D526 M688A476-R649 PolarHBondContact O-NH1 3.11Å; A476-R649 VanDerWaalsContact O-NH1 3.16Å; A476-R649 PolarHBondContact O-NH2 2.81Å; L479-R649 PolarHBondContact O-NH1 3.49Å; T484-R649 PolarHBondContact OG1-NH1 2.85Å; N523-R649 PolarHBondContact O-NH2 3.45Å; D526-R649 WeakPolarHBondContact OD2-CD 3.48Å; D526-R649 WeakPolarHBondContact OD2-CG 3.08Å; D526-R649 IonicContact OD2-CZ 3.73Å; D526-R649 IonicContact OD2-NE 2.69Å; D526-R649 PolarHBondContact OD2-NE 3.07Å; D526-R649 IonicContact OD2-NH2 3.89Å; R649-M688 WeakPolarHBondContact O-CE 3.42Å
650S92.5Very high92.3Very high7 Ų743.3 Ų43.35%0.04925%0.253CS..  trans-149.7155.1180-174.10000110.9E527 N652 E692E527-S650 VanDerWaalsContact OE1-CB 3.24Å; E527-S650 WeakPolarHBondContact OE1-CB 3.31Å; S650-N652 WeakPolarHBondContact OG-CB 3.46Å; S650-N652 VanDerWaalsContact OG-CG 3.29Å; S650-N652 PolarHBondContact OG-N 3.18Å; S650-N652 VanDerWaalsContact OG-N 3.07Å; S650-N652 PolarHBondContact OG-ND2 3.14Å; S650-E692 WeakPolarHBondContact CA-OE1 3.33Å; S650-E692 WeakPolarHBondContact CB-OE1 3.49Å; S650-E692 VanDerWaalsContact OG-CD 3.22Å; S650-E692 PolarHBondContact OG-OE1 3.24Å; S650-E692 PolarHBondContact OG-OE2 3.46Å
651F95.8Very high92.6Very high0 Ų040 Ų400%023%0.229CC..SBendtrans-89.7-4.6166.4-72-73.6000113.6P653 F654 F655 M674 V677 Y685 M688 L689 E692F651-P653 VanDerWaalsContact C-CD 3.43Å; F651-P653 VanDerWaalsContact C-N 3.32Å; F651-F654 HydrophobicContact CB-CD2 4.45Å; F651-F654 AromaticContact CD1-CD2 3.93Å; F651-F654 HydrophobicContact CD1-CD2 3.93Å; F651-F654 HydrophobicContact CD1-CE2 4.2Å; F651-F654 WeakPolarHBondContact O-CB 3.27Å; F651-F654 PolarHBondContact O-N 3.22Å; F651-F655 HydrophobicContact CB-CE1 3.9Å; F651-F655 HydrophobicContact CB-CZ 3.85Å; F651-M674 HydrophobicContact CB-CE 4.34Å; F651-M674 HydrophobicContact CD1-CE 4.04Å; F651-M674 HydrophobicContact CD1-CG 3.79Å; F651-M674 HydrophobicContact CD1-SD 4.47Å; F651-M674 HydrophobicContact CE1-CB 4.27Å; F651-M674 HydrophobicContact CE1-CG 3.75Å; F651-V677 HydrophobicContact CE1-CG2 3.8Å; F651-V677 HydrophobicContact CZ-CG2 3.64Å; F651-Y685 HydrophobicContact CE2-CD1 4.06Å; F651-Y685 WeakPolarHBondContact CE2-O 3.45Å; F651-Y685 AromaticContact CZ-CD1 3.89Å; F651-Y685 HydrophobicContact CZ-CD1 3.89Å; F651-Y685 HydrophobicContact CZ-CG 4.36Å; F651-M688 HydrophobicContact CD2-CB 4.43Å; F651-M688 HydrophobicContact CD2-CG 3.9Å; F651-M688 HydrophobicContact CD2-SD 3.88Å; F651-M688 HydrophobicContact CE2-CB 4.24Å; F651-M688 HydrophobicContact CE2-CG 4.1Å; F651-M688 HydrophobicContact CE2-SD 3.88Å; F651-L689 HydrophobicContact CB-CD1 3.99Å; F651-L689 HydrophobicContact CD1-CD1 4.28Å; F651-L689 HydrophobicContact CD2-CB 3.78Å; F651-L689 HydrophobicContact CD2-CD1 3.74Å; F651-L689 HydrophobicContact CD2-CG 4.32Å; F651-L689 HydrophobicContact CE2-CB 3.67Å; F651-L689 HydrophobicContact CE2-CD1 4.24Å; F651-L689 HydrophobicContact CE2-CG 4.42Å; F651-L689 HydrophobicContact CG-CD1 3.74Å; F651-L689 HydrophobicContact CZ-CB 4.42Å; F651-E692 WeakPolarHBondContact CA-OE2 3.47Å; F651-E692 WeakPolarHBondContact CB-OE2 3.39Å; F651-E692 PolarHBondContact N-OE2 3.33Å
652N93.7Very high92.8Very high82 Ų8245.8 Ų45.844%0.43926%0.264SS..G310 helixtrans-50.3-41.9-178.6-76.4-41.1000114.3S650 F654 F655 P656S650-N652 WeakPolarHBondContact OG-CB 3.46Å; S650-N652 VanDerWaalsContact OG-CG 3.29Å; S650-N652 PolarHBondContact OG-N 3.18Å; S650-N652 VanDerWaalsContact OG-N 3.07Å; S650-N652 PolarHBondContact OG-ND2 3.14Å; N652-F654 PolarHBondContact O-N 3.48Å; N652-F655 PolarHBondContact O-N 3.12Å; N652-F655 WeakPolarHBondContact OD1-CE2 3.26Å; N652-P656 WeakPolarHBondContact O-CD 3.4Å
653P94.5Very high93.2Very high28 Ų2837.5 Ų37.518%0.18223%0.226CC..G310 helixtrans-61.5-23.8178-25.836.4000114.6E570 F651E570-P653 HydrophobicContact CG-CB 4.22Å; E570-P653 VanDerWaalsContact OE2-CB 3.31Å; E570-P653 WeakPolarHBondContact OE2-CB 3.46Å; E570-P653 WeakPolarHBondContact OE2-CG 3.44Å; F651-P653 VanDerWaalsContact C-CD 3.43Å; F651-P653 VanDerWaalsContact C-N 3.32Å
654F97.1Very high93.5Very high5 Ų535.7 Ų35.72%0.02221%0.214CC..G310 helixtrans-83-27.3-179.7-63-85.9000113.3Y648 F651 N652 L657 L658 W669 A670 A673 M674Y648-F654 AromaticContact CD1-CE2 3.87Å; Y648-F654 HydrophobicContact CD1-CE2 3.87Å; Y648-F654 HydrophobicContact CD1-CZ 4.1Å; Y648-F654 HydrophobicContact CD2-CE2 4.31Å; Y648-F654 HydrophobicContact CD2-CZ 4.43Å; Y648-F654 AromaticContact CE1-CE2 3.86Å; Y648-F654 HydrophobicContact CE1-CE2 3.86Å; Y648-F654 AromaticContact CE1-CZ 3.61Å; Y648-F654 HydrophobicContact CE1-CZ 3.61Å; Y648-F654 HydrophobicContact CE2-CE2 4.29Å; Y648-F654 AromaticContact CE2-CZ 3.95Å; Y648-F654 HydrophobicContact CE2-CZ 3.95Å; Y648-F654 HydrophobicContact CG-CE2 4.14Å; Y648-F654 AromaticContact CZ-CZ 3.55Å; F651-F654 HydrophobicContact CB-CD2 4.45Å; F651-F654 AromaticContact CD1-CD2 3.93Å; F651-F654 HydrophobicContact CD1-CD2 3.93Å; F651-F654 HydrophobicContact CD1-CE2 4.2Å; F651-F654 WeakPolarHBondContact O-CB 3.27Å; F651-F654 PolarHBondContact O-N 3.22Å; N652-F654 PolarHBondContact O-N 3.48Å; F654-L657 WeakPolarHBondContact O-CA 3.37Å; F654-L657 VanDerWaalsContact O-CB 3.31Å; F654-L657 WeakPolarHBondContact O-CB 3.24Å; F654-L657 PolarHBondContact O-N 2.93Å; F654-L658 PolarHBondContact O-N 3.21Å; F654-W669 HydrophobicContact CD1-CE3 4.31Å; F654-W669 HydrophobicContact CD1-CH2 4.26Å; F654-W669 AromaticContact CD1-CZ3 3.7Å; F654-W669 HydrophobicContact CD1-CZ3 3.7Å; F654-W669 HydrophobicContact CE1-CE3 4.16Å; F654-W669 AromaticContact CE1-CH2 3.55Å; F654-W669 HydrophobicContact CE1-CH2 3.55Å; F654-W669 HydrophobicContact CE1-CZ2 4.33Å; F654-W669 AromaticContact CE1-CZ3 3.44Å; F654-W669 HydrophobicContact CE1-CZ3 3.44Å; F654-W669 VanDerWaalsContact CE1-CZ3 3.44Å; F654-W669 HydrophobicContact CZ-CH2 4.24Å; F654-W669 HydrophobicContact CZ-CZ3 4.48Å; F654-A670 HydrophobicContact CB-CB 4.44Å; F654-A670 HydrophobicContact CD1-CB 3.99Å; F654-A673 HydrophobicContact CD1-CB 4.33Å; F654-A673 HydrophobicContact CE1-CB 3.5Å; F654-A673 VanDerWaalsContact CE1-CB 3.5Å; F654-A673 HydrophobicContact CZ-CB 3.97Å; F654-M674 HydrophobicContact CB-CE 3.34Å; F654-M674 HydrophobicContact CG-CE 4.02Å
655F97.1Very high93.9Very high20 Ų2032.8 Ų32.89%0.08820%0.201CC..Hα-helixtrans-59.8-38.7-173.3-61.4-28000114.6F651 N652 L657 L658 M674 L689 E692 H697F651-F655 HydrophobicContact CB-CE1 3.9Å; F651-F655 HydrophobicContact CB-CZ 3.85Å; N652-F655 PolarHBondContact O-N 3.12Å; N652-F655 WeakPolarHBondContact OD1-CE2 3.26Å; F655-L657 VanDerWaalsContact C-N 3.29Å; F655-L657 PolarHBondContact O-N 2.98Å; F655-L658 HydrophobicContact CD1-CD1 4.18Å; F655-L658 PolarHBondContact O-N 3.2Å; F655-M674 HydrophobicContact CD1-CE 4.12Å; F655-M674 HydrophobicContact CE1-CE 4.05Å; F655-L689 HydrophobicContact CE1-CD1 4.06Å; F655-L689 HydrophobicContact CZ-CD1 4.44Å; F655-E692 HydrophobicContact CE2-CB 4.14Å; F655-E692 HydrophobicContact CZ-CB 4.01Å; F655-H697 AromaticContact CD1-CD2 3.81Å; F655-H697 AromaticContact CG-CD2 3.91Å; F655-H697 AromaticContact CG-NE2 3.78Å
656P96.1Very high94.3Very high84 Ų8432 Ų3255%0.54520%0.197SC..Hα-helixtrans-60.2-38.7171.5-24.935.6000112.8N652 G659 C660N652-P656 WeakPolarHBondContact O-CD 3.4Å; P656-G659 PolarHBondContact O-N 3.42Å; P656-G659 VanDerWaalsContact O-N 3.13Å; P656-C660 PolarHBondContact O-SG 2.94Å
657L97.7Very high94.7Very high1 Ų131.3 Ų31.31%0.00519%0.193CC..Hα-helixtrans-67.8-36.6-179.7-52.9-175.3000112S611 F654 F655 G659 C660 V666 Q667 W669 A670S611-L657 VanDerWaalsContact CB-CD2 3.47Å; F654-L657 WeakPolarHBondContact O-CA 3.37Å; F654-L657 VanDerWaalsContact O-CB 3.31Å; F654-L657 WeakPolarHBondContact O-CB 3.24Å; F654-L657 PolarHBondContact O-N 2.93Å; F655-L657 VanDerWaalsContact C-N 3.29Å; F655-L657 PolarHBondContact O-N 2.98Å; L657-G659 PolarHBondContact O-N 3.47Å; L657-C660 WeakPolarHBondContact O-CB 3.35Å; L657-C660 PolarHBondContact O-N 3.38Å; L657-C660 VanDerWaalsContact O-N 3.07Å; L657-V666 HydrophobicContact CB-CG1 3.87Å; L657-V666 HydrophobicContact CD2-CG1 3.82Å; L657-V666 HydrophobicContact CG-CG1 4.33Å; L657-Q667 WeakPolarHBondContact O-CG 3.39Å; L657-W669 HydrophobicContact CD1-CE3 3.58Å; L657-W669 HydrophobicContact CD1-CZ3 3.41Å; L657-W669 VanDerWaalsContact CD1-CZ3 3.41Å; L657-A670 HydrophobicContact CB-CB 3.9Å; L657-A670 HydrophobicContact CD1-CB 4.23Å
658L97Very high95.1Very high3 Ų328.9 Ų28.92%0.01617%0.173CC..Hα-helixtrans-60.7-23173.9-64.5-171.4000112.5F654 F655 C660 Q667 A670 V671 M674 H697 I701F654-L658 PolarHBondContact O-N 3.21Å; F655-L658 HydrophobicContact CD1-CD1 4.18Å; F655-L658 PolarHBondContact O-N 3.2Å; L658-C660 VanDerWaalsContact C-N 3.35Å; L658-Q667 PolarHBondContact O-NE2 3.31Å; L658-A670 HydrophobicContact CD2-CB 3.67Å; L658-A670 HydrophobicContact CG-CB 4.47Å; L658-V671 HydrophobicContact CD2-CG1 3.6Å; L658-M674 HydrophobicContact CD1-CE 3.63Å; L658-M674 HydrophobicContact CD1-SD 4.08Å; L658-M674 HydrophobicContact CD2-CE 4.41Å; L658-M674 HydrophobicContact CG-CE 4.2Å; L658-H697 HydrophobicContact CD1-CB 3.62Å; L658-I701 HydrophobicContact CB-CD1 3.9Å; L658-I701 HydrophobicContact CD1-CD1 4.31Å; L658-I701 HydrophobicContact CD2-CD1 3.69Å; L658-I701 HydrophobicContact CG-CD1 4.16Å
659G94.4Very high95.3Very high45 Ų4527.6 Ų27.646%0.46417%0.168SC..THydrogen-bonded Turntrans-82.4-4.3175.900000115.1P656 L657 F661P656-G659 PolarHBondContact O-N 3.42Å; P656-G659 VanDerWaalsContact O-N 3.13Å; L657-G659 PolarHBondContact O-N 3.47Å; G659-F661 VanDerWaalsContact C-N 3.31Å; G659-F661 WeakPolarHBondContact O-CD2 3.28Å; G659-F661 PolarHBondContact O-N 3.41Å
660C94.9Very high95.8Very high18 Ų1825.4 Ų25.412%0.12216%0.159CC..  trans-8559.2-173.5-62.10000113.6P656 L657 L658 T662 T663 V666 Q667P656-C660 PolarHBondContact O-SG 2.94Å; L657-C660 WeakPolarHBondContact O-CB 3.35Å; L657-C660 PolarHBondContact O-N 3.38Å; L657-C660 VanDerWaalsContact O-N 3.07Å; L658-C660 VanDerWaalsContact C-N 3.35Å; C660-T662 PolarHBondContact O-N 3.06Å; C660-T663 WeakPolarHBondContact CB-OG1 3.48Å; C660-T663 CarbonylContact O-C 3.58Å; C660-T663 PolarHBondContact O-N 3.28Å; C660-T663 PolarHBondContact O-OG1 3.01Å; C660-V666 HydrophobicContact CB-CB 4.26Å; C660-V666 HydrophobicContact CB-CG1 3.96Å; C660-Q667 HydrophobicContact CB-CG 4.43Å
661F93.4Very high96Very high47 Ų4725 Ų2521%0.20616%0.157CC..THydrogen-bonded Turntrans-58.8-19.6-177.3-66.5-78.4000115.2G659 Q667 I701 H704G659-F661 VanDerWaalsContact C-N 3.31Å; G659-F661 WeakPolarHBondContact O-CD2 3.28Å; G659-F661 PolarHBondContact O-N 3.41Å; F661-Q667 VanDerWaalsContact CD1-NE2 3.28Å; F661-I701 HydrophobicContact CE1-CG1 4.42Å; F661-H704 HydrophobicContact CD1-CB 4.09Å; F661-H704 AromaticContact CD1-CD2 3.98Å; F661-H704 AromaticContact CD1-CE1 3.74Å; F661-H704 AromaticContact CD1-CG 3.6Å; F661-H704 AromaticContact CD1-ND1 3.43Å; F661-H704 WeakPolarHBondContact CD1-ND1 3.33Å; F661-H704 AromaticContact CD2-NE2 3.87Å; F661-H704 HydrophobicContact CE1-CB 3.46Å; F661-H704 VanDerWaalsContact CE1-CB 3.46Å; F661-H704 AromaticContact CE1-CD2 3.78Å; F661-H704 AromaticContact CE1-CG 3.4Å; F661-H704 VanDerWaalsContact CE1-CG 3.4Å; F661-H704 AromaticContact CE1-ND1 3.75Å; F661-H704 AromaticContact CE2-CD2 3.84Å; F661-H704 AromaticContact CG-CE1 3.69Å; F661-H704 AromaticContact CG-ND1 3.88Å; F661-H704 AromaticContact CG-NE2 3.84Å; F661-H704 HydrophobicContact CZ-CB 3.9Å; F661-H704 AromaticContact CZ-CD2 3.71Å; F661-H704 AromaticContact CZ-CG 3.78Å
662T92.1Very high96.1Very high133 Ų13326.2 Ų26.282%0.81616%0.162SC*.THydrogen-bonded Turntrans-86.7-7.7177.755.20000113.7C660C660-T662 PolarHBondContact O-N 3.06Å
663T94.3Very high96.2Very high13 Ų1322.3 Ų22.38%0.0814%0.141CC..  trans-133.279.8-179.254.10000110.3I610 L628 C660 G665 V666I610-T663 HydrophobicContact CG2-CG2 4.18Å; L628-T663 HydrophobicContact CD2-CG2 3.97Å; C660-T663 WeakPolarHBondContact CB-OG1 3.48Å; C660-T663 CarbonylContact O-C 3.58Å; C660-T663 PolarHBondContact O-N 3.28Å; C660-T663 PolarHBondContact O-OG1 3.01Å; T663-G665 VanDerWaalsContact C-N 3.28Å; T663-G665 PolarHBondContact O-N 3.23Å; T663-G665 VanDerWaalsContact O-N 3.14Å; T663-V666 WeakPolarHBondContact O-CB 3.38Å; T663-V666 PolarHBondContact O-N 3.13Å; T663-V666 WeakPolarHBondContact OG1-CG2 3.28Å
664P94.9Very high96.3Very high43 Ų4321 Ų2128%0.27913%0.132SC..Hα-helixtrans-50.7-39.6-175-33.738.8000115.5V666 Q667 L668 D708P664-V666 PolarHBondContact O-N 3.25Å; P664-Q667 PolarHBondContact O-N 3.1Å; P664-L668 VanDerWaalsContact O-CB 3.26Å; P664-L668 WeakPolarHBondContact O-CB 3.36Å; P664-L668 PolarHBondContact O-N 3.17Å; P664-D708 HydrophobicContact CB-CB 3.72Å; P664-D708 HydrophobicContact CG-CB 4.11Å
665G96.5Very high96.3Very high3 Ų324 Ų243%0.03115%0.146CC..Hα-helixtrans-58.5-32.7178.700000113.6T663 W669T663-G665 VanDerWaalsContact C-N 3.28Å; T663-G665 PolarHBondContact O-N 3.23Å; T663-G665 VanDerWaalsContact O-N 3.14Å; G665-W669 PolarHBondContact O-N 3.15Å; G665-W669 VanDerWaalsContact O-N 3.12Å
666V97.8Very high96.2Very high0 Ų023.5 Ų23.50%014%0.144CC..Hα-helixtrans-69.1-49.1176.3175.80000110.7A607 I610 L631 L657 C660 T663 P664 L668 W669 A670A607-V666 HydrophobicContact CB-CG1 4.37Å; I610-V666 HydrophobicContact CB-CG2 4.16Å; I610-V666 HydrophobicContact CG2-CG2 3.71Å; L631-V666 HydrophobicContact CD2-CG2 4.42Å; L657-V666 HydrophobicContact CB-CG1 3.87Å; L657-V666 HydrophobicContact CD2-CG1 3.82Å; L657-V666 HydrophobicContact CG-CG1 4.33Å; C660-V666 HydrophobicContact CB-CB 4.26Å; C660-V666 HydrophobicContact CB-CG1 3.96Å; T663-V666 WeakPolarHBondContact O-CB 3.38Å; T663-V666 PolarHBondContact O-N 3.13Å; T663-V666 WeakPolarHBondContact OG1-CG2 3.28Å; P664-V666 PolarHBondContact O-N 3.25Å; V666-L668 VanDerWaalsContact C-N 3.29Å; V666-L668 PolarHBondContact O-N 2.79Å; V666-W669 PolarHBondContact O-N 2.99Å; V666-A670 PolarHBondContact O-N 3.38Å
667Q97.7Very high96.2Very high0 Ų019.5 Ų19.50%012%0.118CC..Hα-helixtrans-62.4-40.3176.1-72.5-176.7-52.200111L657 L658 C660 F661 P664 W669 A670 V671 V711L657-Q667 WeakPolarHBondContact O-CG 3.39Å; L658-Q667 PolarHBondContact O-NE2 3.31Å; C660-Q667 HydrophobicContact CB-CG 4.43Å; F661-Q667 VanDerWaalsContact CD1-NE2 3.28Å; P664-Q667 PolarHBondContact O-N 3.1Å; Q667-W669 PolarHBondContact O-N 3.3Å; Q667-A670 PolarHBondContact O-N 3.31Å; Q667-V671 WeakPolarHBondContact O-CG2 3.27Å; Q667-V671 PolarHBondContact O-N 3.49Å; Q667-V711 HydrophobicContact CB-CG1 3.82Å; Q667-V711 HydrophobicContact CB-CG2 4.04Å
668L97.8Very high96.1Very high0 Ų019.7 Ų19.70%012%0.119CC..Hα-helixtrans-60.5-45.2-178.8-173.862.8000111.8I635 L636 P664 V666 A670 V671 W672 H710 V711 I714I635-L668 HydrophobicContact CB-CD2 3.97Å; I635-L668 HydrophobicContact CB-CG 4.27Å; I635-L668 HydrophobicContact CD1-CB 4.34Å; I635-L668 HydrophobicContact CD1-CD2 4.34Å; I635-L668 HydrophobicContact CD1-CG 4.31Å; I635-L668 HydrophobicContact CG2-CD2 3.94Å; I635-L668 HydrophobicContact CG2-CG 3.77Å; L636-L668 HydrophobicContact CD2-CD1 4.48Å; L636-L668 HydrophobicContact CD2-CD2 3.83Å; L636-L668 HydrophobicContact CG-CD2 3.94Å; P664-L668 VanDerWaalsContact O-CB 3.26Å; P664-L668 WeakPolarHBondContact O-CB 3.36Å; P664-L668 PolarHBondContact O-N 3.17Å; V666-L668 VanDerWaalsContact C-N 3.29Å; V666-L668 PolarHBondContact O-N 2.79Å; L668-A670 VanDerWaalsContact C-N 3.34Å; L668-A670 PolarHBondContact O-N 3.47Å; L668-V671 WeakPolarHBondContact O-CG2 3.47Å; L668-W672 WeakPolarHBondContact O-CB 3.27Å; L668-W672 PolarHBondContact O-N 3.43Å; L668-H710 HydrophobicContact CD1-CB 4.06Å; L668-V711 HydrophobicContact CB-CG2 3.88Å; L668-V711 HydrophobicContact CD1-CG2 4.1Å; L668-I714 HydrophobicContact CD1-CD1 3.74Å
669W97.9Very high95.9Very high1 Ų122.8 Ų22.80%0.00414%0.141CC..Hα-helixtrans-59.1-47.1175.1179.480.9000111.4Y600 A607 H608 I635 F654 L657 G665 V666 Q667 W672 A673Y600-W669 AromaticContact CD2-NE1 3.87Å; Y600-W669 HydrophobicContact CE1-CZ2 4.29Å; Y600-W669 HydrophobicContact CE2-CZ2 4.27Å; Y600-W669 AromaticContact CE2-NE1 3.53Å; Y600-W669 AromaticContact CZ-CE2 3.97Å; Y600-W669 AromaticContact CZ-CZ2 3.76Å; Y600-W669 AromaticContact CZ-NE1 3.88Å; Y600-W669 PolarHBondContact O-NE1 3.05Å; Y600-W669 WeakPolarHBondContact OH-CZ2 3.28Å; A607-W669 HydrophobicContact CB-CB 4.24Å; A607-W669 HydrophobicContact CB-CD2 4.23Å; A607-W669 HydrophobicContact CB-CE3 4.09Å; A607-W669 HydrophobicContact CB-CG 4.3Å; H608-W669 AromaticContact NE2-CH2 3.94Å; H608-W669 AromaticContact NE2-CZ3 3.79Å; I635-W669 HydrophobicContact CD1-CB 3.73Å; F654-W669 HydrophobicContact CD1-CE3 4.31Å; F654-W669 HydrophobicContact CD1-CH2 4.26Å; F654-W669 AromaticContact CD1-CZ3 3.7Å; F654-W669 HydrophobicContact CD1-CZ3 3.7Å; F654-W669 HydrophobicContact CE1-CE3 4.16Å; F654-W669 AromaticContact CE1-CH2 3.55Å; F654-W669 HydrophobicContact CE1-CH2 3.55Å; F654-W669 HydrophobicContact CE1-CZ2 4.33Å; F654-W669 AromaticContact CE1-CZ3 3.44Å; F654-W669 HydrophobicContact CE1-CZ3 3.44Å; F654-W669 VanDerWaalsContact CE1-CZ3 3.44Å; F654-W669 HydrophobicContact CZ-CH2 4.24Å; F654-W669 HydrophobicContact CZ-CZ3 4.48Å; L657-W669 HydrophobicContact CD1-CE3 3.58Å; L657-W669 HydrophobicContact CD1-CZ3 3.41Å; L657-W669 VanDerWaalsContact CD1-CZ3 3.41Å; G665-W669 PolarHBondContact O-N 3.15Å; G665-W669 VanDerWaalsContact O-N 3.12Å; V666-W669 PolarHBondContact O-N 2.99Å; Q667-W669 PolarHBondContact O-N 3.3Å; W669-W672 PolarHBondContact O-N 2.92Å; W669-A673 WeakPolarHBondContact O-CB 3.34Å; W669-A673 PolarHBondContact O-N 3.48Å
670A98Very high95.9Very high0 Ų024.1 Ų24.10%013%0.134CC..Hα-helixtrans-64.1-46.9-177.600000112.5F654 L657 L658 V666 Q667 L668 A673 M674F654-A670 HydrophobicContact CB-CB 4.44Å; F654-A670 HydrophobicContact CD1-CB 3.99Å; L657-A670 HydrophobicContact CB-CB 3.9Å; L657-A670 HydrophobicContact CD1-CB 4.23Å; L658-A670 HydrophobicContact CD2-CB 3.67Å; L658-A670 HydrophobicContact CG-CB 4.47Å; V666-A670 PolarHBondContact O-N 3.38Å; Q667-A670 PolarHBondContact O-N 3.31Å; L668-A670 VanDerWaalsContact C-N 3.34Å; L668-A670 PolarHBondContact O-N 3.47Å; A670-A673 PolarHBondContact O-N 3.15Å; A670-M674 WeakPolarHBondContact O-CG 3.39Å; A670-M674 PolarHBondContact O-N 3.27Å; A670-M674 VanDerWaalsContact O-N 3.08Å
671V97.9Very high95.8Very high0 Ų025.4 Ų25.40%014%0.14CC..Hα-helixtrans-70-34.5177.8-60.30000112L658 Q667 L668 M674 Q675 I701 V711 I714 I718L658-V671 HydrophobicContact CD2-CG1 3.6Å; Q667-V671 WeakPolarHBondContact O-CG2 3.27Å; Q667-V671 PolarHBondContact O-N 3.49Å; L668-V671 WeakPolarHBondContact O-CG2 3.47Å; V671-M674 PolarHBondContact O-N 2.69Å; V671-Q675 WeakPolarHBondContact O-CB 3.21Å; V671-Q675 PolarHBondContact O-N 3.19Å; V671-I701 HydrophobicContact CG1-CD1 3.97Å; V671-V711 HydrophobicContact CG1-CG1 4.22Å; V671-V711 HydrophobicContact CG2-CG1 4.19Å; V671-I714 HydrophobicContact CB-CB 4.31Å; V671-I714 HydrophobicContact CB-CG2 3.79Å; V671-I714 HydrophobicContact CG2-CB 3.84Å; V671-I714 HydrophobicContact CG2-CD1 4.11Å; V671-I714 HydrophobicContact CG2-CG2 3.73Å; V671-I714 WeakPolarHBondContact O-CG2 3.34Å; V671-I718 HydrophobicContact CB-CD1 4.37Å; V671-I718 WeakPolarHBondContact O-CD1 3.26Å
672W97Very high95.8Very high25 Ų2526 Ų2610%0.09515%0.148CC..Hα-helixtrans-62-45.9174.6-172.6102.3000111Y600 I635 W638 P641 L668 W669 M674 Q675 H676Y600-W672 AromaticContact CD2-CE3 3.87Å; Y600-W672 HydrophobicContact CD2-CE3 3.87Å; Y600-W672 HydrophobicContact CD2-CH2 4.36Å; Y600-W672 AromaticContact CD2-CZ3 3.45Å; Y600-W672 HydrophobicContact CD2-CZ3 3.45Å; Y600-W672 VanDerWaalsContact CD2-CZ3 3.45Å; Y600-W672 AromaticContact CE2-CE3 3.8Å; Y600-W672 HydrophobicContact CE2-CE3 3.8Å; Y600-W672 AromaticContact CE2-CZ3 3.68Å; Y600-W672 HydrophobicContact CE2-CZ3 3.68Å; Y600-W672 HydrophobicContact CG-CZ3 4.47Å; I635-W672 HydrophobicContact CG2-CB 4.15Å; I635-W672 HydrophobicContact CG2-CG 4.04Å; W638-W672 HydrophobicContact CB-CZ2 4.3Å; W638-W672 HydrophobicContact CE3-CD2 4.08Å; W638-W672 AromaticContact CE3-CE2 3.86Å; W638-W672 HydrophobicContact CE3-CE3 4.32Å; W638-W672 HydrophobicContact CE3-CH2 4.24Å; W638-W672 AromaticContact CE3-CZ2 3.96Å; W638-W672 HydrophobicContact CE3-CZ2 3.96Å; W638-W672 HydrophobicContact CE3-CZ3 4.42Å; W638-W672 HydrophobicContact CZ3-CD2 4.3Å; W638-W672 HydrophobicContact CZ3-CE3 4.26Å; W638-W672 HydrophobicContact CZ3-CZ3 4.5Å; P641-W672 HydrophobicContact CG-CH2 3.76Å; P641-W672 HydrophobicContact CG-CZ2 4.16Å; L668-W672 WeakPolarHBondContact O-CB 3.27Å; L668-W672 PolarHBondContact O-N 3.43Å; W669-W672 PolarHBondContact O-N 2.92Å; W672-M674 PolarHBondContact O-N 3.28Å; W672-Q675 PolarHBondContact O-N 3.28Å; W672-H676 HydrophobicContact CE3-CB 4.33Å; W672-H676 HydrophobicContact CZ3-CB 4.1Å; W672-H676 WeakPolarHBondContact O-CB 3.26Å; W672-H676 PolarHBondContact O-N 3.22Å
673A96.8Very high95.7Very high0 Ų023.3 Ų23.30%014%0.135CC..Hα-helixtrans-58.8-47176.400000112Y600 F654 W669 A670 H676 V677Y600-A673 HydrophobicContact CE2-CB 3.94Å; Y600-A673 WeakPolarHBondContact OH-CB 3.4Å; F654-A673 HydrophobicContact CD1-CB 4.33Å; F654-A673 HydrophobicContact CE1-CB 3.5Å; F654-A673 VanDerWaalsContact CE1-CB 3.5Å; F654-A673 HydrophobicContact CZ-CB 3.97Å; W669-A673 WeakPolarHBondContact O-CB 3.34Å; W669-A673 PolarHBondContact O-N 3.48Å; A670-A673 PolarHBondContact O-N 3.15Å; A673-H676 PolarHBondContact O-N 2.87Å; A673-V677 PolarHBondContact O-N 3.26Å
674M97Very high95.7Very high1 Ų127.6 Ų27.61%0.00515%0.15CC..Hα-helixtrans-61.7-45.7176.4-71-172.5-178.900112.2F651 F654 F655 L658 A670 V671 W672 H676 C678 L689 I718F651-M674 HydrophobicContact CB-CE 4.34Å; F651-M674 HydrophobicContact CD1-CE 4.04Å; F651-M674 HydrophobicContact CD1-CG 3.79Å; F651-M674 HydrophobicContact CD1-SD 4.47Å; F651-M674 HydrophobicContact CE1-CB 4.27Å; F651-M674 HydrophobicContact CE1-CG 3.75Å; F654-M674 HydrophobicContact CB-CE 3.34Å; F654-M674 HydrophobicContact CG-CE 4.02Å; F655-M674 HydrophobicContact CD1-CE 4.12Å; F655-M674 HydrophobicContact CE1-CE 4.05Å; L658-M674 HydrophobicContact CD1-CE 3.63Å; L658-M674 HydrophobicContact CD1-SD 4.08Å; L658-M674 HydrophobicContact CD2-CE 4.41Å; L658-M674 HydrophobicContact CG-CE 4.2Å; A670-M674 WeakPolarHBondContact O-CG 3.39Å; A670-M674 PolarHBondContact O-N 3.27Å; A670-M674 VanDerWaalsContact O-N 3.08Å; V671-M674 PolarHBondContact O-N 2.69Å; W672-M674 PolarHBondContact O-N 3.28Å; M674-H676 VanDerWaalsContact C-N 3.34Å; M674-H676 PolarHBondContact O-N 3.17Å; M674-C678 WeakPolarHBondContact O-CB 3.39Å; M674-C678 PolarHBondContact O-N 3.16Å; M674-C678 PolarHBondContact O-SG 3.18Å; M674-L689 HydrophobicContact CE-CD1 4.26Å; M674-L689 HydrophobicContact SD-CD1 4.06Å; M674-L689 HydrophobicContact SD-CD2 4.33Å; M674-I718 HydrophobicContact CB-CD1 3.84Å
675Q96.3Very high95.7Very high68 Ų6825.5 Ų25.532%0.31814%0.137SC..Hα-helixtrans-60.4-45.6178.2-175.4-175.226.300111.1V671 W672 S679 I714 I718V671-Q675 WeakPolarHBondContact O-CB 3.21Å; V671-Q675 PolarHBondContact O-N 3.19Å; W672-Q675 PolarHBondContact O-N 3.28Å; Q675-S679 VanDerWaalsContact O-CB 3.22Å; Q675-S679 WeakPolarHBondContact O-CB 3.47Å; Q675-S679 PolarHBondContact O-N 3.49Å; Q675-S679 PolarHBondContact O-OG 3.43Å; Q675-I714 HydrophobicContact CB-CG2 3.74Å; Q675-I714 HydrophobicContact CG-CG2 4.22Å; Q675-I718 HydrophobicContact CB-CD1 4.03Å; Q675-I718 HydrophobicContact CB-CG1 3.91Å; Q675-I718 HydrophobicContact CG-CG1 4.36Å
676H95.6Very high95.7Very high9 Ų925.4 Ų25.44%0.04214%0.135CC..Hα-helixtrans-53.4-60.8179.7175.844.8000111C643 M645 W672 A673 M674 C678 S679 K680C643-H676 PolarHBondContact O-CE1 3.36Å; M645-H676 PolarHBondContact N-NE2 3.37Å; W672-H676 HydrophobicContact CE3-CB 4.33Å; W672-H676 HydrophobicContact CZ3-CB 4.1Å; W672-H676 WeakPolarHBondContact O-CB 3.26Å; W672-H676 PolarHBondContact O-N 3.22Å; A673-H676 PolarHBondContact O-N 2.87Å; M674-H676 VanDerWaalsContact C-N 3.34Å; M674-H676 PolarHBondContact O-N 3.17Å; H676-C678 PolarHBondContact O-N 2.93Å; H676-S679 PolarHBondContact O-N 3.05Å; H676-S679 PolarHBondContact O-OG 3.25Å; H676-K680 WeakPolarHBondContact O-CG 3.28Å; H676-K680 PolarHBondContact O-N 3.04Å; H676-K680 VanDerWaalsContact O-N 3.12Å
677V95.5Very high95.5Very high0 Ų026.7 Ų26.70%014%0.144CC..Hα-helixtrans-68.4-36.9-175.2-61.10000113Y648 F651 A673 S679 K680 N681 Y685Y648-V677 HydrophobicContact CD2-CB 4.49Å; Y648-V677 HydrophobicContact CD2-CG1 3.81Å; Y648-V677 HydrophobicContact CD2-CG2 4.12Å; Y648-V677 HydrophobicContact CE2-CG1 3.7Å; Y648-V677 HydrophobicContact CE2-CG2 4.46Å; F651-V677 HydrophobicContact CE1-CG2 3.8Å; F651-V677 HydrophobicContact CZ-CG2 3.64Å; A673-V677 PolarHBondContact O-N 3.26Å; V677-S679 VanDerWaalsContact C-N 3.29Å; V677-S679 PolarHBondContact O-N 2.81Å; V677-K680 PolarHBondContact O-N 3.13Å; V677-N681 PolarHBondContact O-N 3.01Å; V677-Y685 HydrophobicContact CB-CD1 4.17Å; V677-Y685 HydrophobicContact CB-CD2 3.67Å; V677-Y685 HydrophobicContact CB-CE1 4.39Å; V677-Y685 HydrophobicContact CB-CE2 3.91Å; V677-Y685 HydrophobicContact CB-CG 3.82Å; V677-Y685 HydrophobicContact CG2-CD1 3.94Å; V677-Y685 HydrophobicContact CG2-CD2 4.2Å; V677-Y685 HydrophobicContact CG2-CE1 4.47Å; V677-Y685 HydrophobicContact CG2-CG 3.81Å; V677-Y685 VanDerWaalsContact O-CD2 3.28Å; V677-Y685 WeakPolarHBondContact O-CD2 3.43Å
678C95.1Very high95.4Very high4 Ų428 Ų283%0.02715%0.151CC..Hα-helixtrans-65.7-31.3175.2-73.10000112.4M674 H676 P682M674-C678 WeakPolarHBondContact O-CB 3.39Å; M674-C678 PolarHBondContact O-N 3.16Å; M674-C678 PolarHBondContact O-SG 3.18Å; H676-C678 PolarHBondContact O-N 2.93Å; C678-P682 VanDerWaalsContact O-CA 3.24Å; C678-P682 WeakPolarHBondContact O-CA 3.26Å; C678-P682 VanDerWaalsContact O-CB 3.3Å; C678-P682 WeakPolarHBondContact O-CB 3.5Å
679S93.9Very high95.4Very high68 Ų6828 Ų2848%0.47615%0.151SC..Hα-helixtrans-76.1-33.8176.875.80000113Q675 H676 V677Q675-S679 VanDerWaalsContact O-CB 3.22Å; Q675-S679 WeakPolarHBondContact O-CB 3.47Å; Q675-S679 PolarHBondContact O-N 3.49Å; Q675-S679 PolarHBondContact O-OG 3.43Å; H676-S679 PolarHBondContact O-N 3.05Å; H676-S679 PolarHBondContact O-OG 3.25Å; V677-S679 VanDerWaalsContact C-N 3.29Å; V677-S679 PolarHBondContact O-N 2.81Å
680K93.7Very high95.3Very high73 Ų7328.4 Ų28.432%0.31715%0.153SC..Hα-helixtrans-85.1-37.7-176.5-61.8-55.5176.7175.80113.5P641 E642 E644 H676 V677P641-K680 WeakPolarHBondContact O-CE 3.35Å; P641-K680 PolarHBondContact O-NZ 3.04Å; E642-K680 WeakPolarHBondContact O-CE 3.34Å; E642-K680 PolarHBondContact O-NZ 3.45Å; E644-K680 HydrophobicContact CB-CB 4.28Å; H676-K680 WeakPolarHBondContact O-CG 3.28Å; H676-K680 PolarHBondContact O-N 3.04Å; H676-K680 VanDerWaalsContact O-N 3.12Å; V677-K680 PolarHBondContact O-N 3.13Å
681N92.8Very high95.1Very high45 Ų4532.1 Ų32.124%0.24117%0.17CC..  trans-137.667.5179.8-170.3-11.9000110.9E644 V677 S683 R684 Y685E644-N681 WeakPolarHBondContact OE2-CB 3.44Å; E644-N681 PolarHBondContact OE2-ND2 3.3Å; V677-N681 PolarHBondContact O-N 3.01Å; N681-S683 VanDerWaalsContact C-N 3.28Å; N681-S683 PolarHBondContact O-N 3.04Å; N681-S683 PolarHBondContact OD1-OG 3.45Å; N681-S683 VanDerWaalsContact OD1-OG 3.13Å; N681-R684 PolarHBondContact O-N 2.97Å; N681-R684 WeakPolarHBondContact OD1-CB 3.47Å; N681-R684 PolarHBondContact OD1-N 2.84Å; N681-Y685 HydrophobicContact CB-CD2 3.79Å; N681-Y685 HydrophobicContact CB-CE2 3.92Å; N681-Y685 WeakPolarHBondContact O-CD2 3.38Å; N681-Y685 PolarHBondContact O-N 3.47Å
682P92.8Very high94.9Very high59 Ų5934.4 Ų34.438%0.38318%0.181SC..Hα-helixtrans-60.2-36-173.821.3-32.8000112.7C678 R684 C686C678-P682 VanDerWaalsContact O-CA 3.24Å; C678-P682 WeakPolarHBondContact O-CA 3.26Å; C678-P682 VanDerWaalsContact O-CB 3.3Å; C678-P682 WeakPolarHBondContact O-CB 3.5Å; P682-R684 VanDerWaalsContact C-N 3.27Å; P682-R684 PolarHBondContact O-N 3.2Å; P682-C686 WeakPolarHBondContact O-CB 3.25Å; P682-C686 PolarHBondContact O-N 2.81Å; P682-C686 PolarHBondContact O-SG 3.15Å
683S91.5Very high94.8Very high78 Ų7834.9 Ų34.955%0.54519%0.193SC..Hα-helixtrans-57.1-41179.4430000112.9N681 S687N681-S683 VanDerWaalsContact C-N 3.28Å; N681-S683 PolarHBondContact O-N 3.04Å; N681-S683 PolarHBondContact OD1-OG 3.45Å; N681-S683 VanDerWaalsContact OD1-OG 3.13Å; S683-S687 PolarHBondContact O-OG 3.36Å
684R92.5Very high94.8Very high102 Ų10234.9 Ų34.939%0.38519%0.193SC..Hα-helixtrans-81-57.2179.1179.3-179.4174.6-176.1-2.5110.8Y648 N681 P682 M688Y648-R684 PolarHBondContact O-NH2 3.31Å; N681-R684 PolarHBondContact O-N 2.97Å; N681-R684 WeakPolarHBondContact OD1-CB 3.47Å; N681-R684 PolarHBondContact OD1-N 2.84Å; P682-R684 VanDerWaalsContact C-N 3.27Å; P682-R684 PolarHBondContact O-N 3.2Å; R684-M688 WeakPolarHBondContact O-CB 3.35Å; R684-M688 PolarHBondContact O-N 3.47Å; R684-M688 VanDerWaalsContact O-N 3.09Å
685Y95.7Very high94.7Very high0 Ų035.7 Ų35.70%020%0.197CC..Hα-helixtrans-81.1-33.3-165.7-68.9-67.3000114E644 A647 Y648 F651 V677 N681 S687 M688 L689E644-Y685 PolarHBondContact OE1-OH 3.48Å; A647-Y685 WeakPolarHBondContact CA-OH 3.35Å; A647-Y685 WeakPolarHBondContact CB-OH 3.47Å; Y648-Y685 PolarHBondContact N-OH 3.42Å; F651-Y685 HydrophobicContact CE2-CD1 4.06Å; F651-Y685 WeakPolarHBondContact CE2-O 3.45Å; F651-Y685 AromaticContact CZ-CD1 3.89Å; F651-Y685 HydrophobicContact CZ-CD1 3.89Å; F651-Y685 HydrophobicContact CZ-CG 4.36Å; V677-Y685 HydrophobicContact CB-CD1 4.17Å; V677-Y685 HydrophobicContact CB-CD2 3.67Å; V677-Y685 HydrophobicContact CB-CE1 4.39Å; V677-Y685 HydrophobicContact CB-CE2 3.91Å; V677-Y685 HydrophobicContact CB-CG 3.82Å; V677-Y685 HydrophobicContact CG2-CD1 3.94Å; V677-Y685 HydrophobicContact CG2-CD2 4.2Å; V677-Y685 HydrophobicContact CG2-CE1 4.47Å; V677-Y685 HydrophobicContact CG2-CG 3.81Å; V677-Y685 VanDerWaalsContact O-CD2 3.28Å; V677-Y685 WeakPolarHBondContact O-CD2 3.43Å; N681-Y685 HydrophobicContact CB-CD2 3.79Å; N681-Y685 HydrophobicContact CB-CE2 3.92Å; N681-Y685 WeakPolarHBondContact O-CD2 3.38Å; N681-Y685 PolarHBondContact O-N 3.47Å; Y685-S687 VanDerWaalsContact C-N 3.33Å; Y685-S687 PolarHBondContact O-N 3.21Å; Y685-M688 HydrophobicContact CD1-SD 4.13Å; Y685-M688 HydrophobicContact CE1-CE 4.45Å; Y685-M688 HydrophobicContact CE1-SD 4.39Å; Y685-M688 PolarHBondContact O-N 3.38Å; Y685-L689 VanDerWaalsContact O-CB 3.28Å; Y685-L689 WeakPolarHBondContact O-CB 3.47Å; Y685-L689 PolarHBondContact O-N 2.9Å
686C96.2Very high94.6Very high1 Ų138.1 Ų38.11%0.00721%0.209CC..Hα-helixtrans-64.9-42.2173.8-62.30000110.7P682 L689 I690 L722 H725P682-C686 WeakPolarHBondContact O-CB 3.25Å; P682-C686 PolarHBondContact O-N 2.81Å; P682-C686 PolarHBondContact O-SG 3.15Å; C686-L689 PolarHBondContact O-N 3.44Å; C686-I690 VanDerWaalsContact O-CD1 3.26Å; C686-I690 WeakPolarHBondContact O-CD1 3.33Å; C686-I690 WeakPolarHBondContact O-CG1 3.39Å; C686-I690 PolarHBondContact O-N 3.28Å; C686-I690 VanDerWaalsContact O-N 3.08Å; C686-L722 HydrophobicContact CB-CD2 3.57Å; C686-H725 HydrophobicContact CB-CB 3.96Å
687S95Very high94.7Very high27 Ų2740.6 Ų40.619%0.18922%0.22CC..Hα-helixtrans-59.8-51.6175.8-53.10000110.9S683 Y685 L689 I690 E691 H725S683-S687 PolarHBondContact O-OG 3.36Å; Y685-S687 VanDerWaalsContact C-N 3.33Å; Y685-S687 PolarHBondContact O-N 3.21Å; S687-L689 PolarHBondContact O-N 3.21Å; S687-I690 PolarHBondContact O-N 2.91Å; S687-E691 WeakPolarHBondContact O-CB 3.31Å; S687-E691 VanDerWaalsContact O-CG 3.27Å; S687-E691 WeakPolarHBondContact O-CG 3.19Å; S687-E691 PolarHBondContact O-N 2.99Å; S687-H725 PolarHBondContact OG-NE2 3.19Å
688M94.7Very high94.8Very high28 Ų2840.6 Ų40.614%0.13822%0.22CC..Hα-helixtrans-55.8-49.3177-178.9-171.8-73.400112.3R649 F651 R684 Y685 I690 E691 E692R649-M688 WeakPolarHBondContact O-CE 3.42Å; F651-M688 HydrophobicContact CD2-CB 4.43Å; F651-M688 HydrophobicContact CD2-CG 3.9Å; F651-M688 HydrophobicContact CD2-SD 3.88Å; F651-M688 HydrophobicContact CE2-CB 4.24Å; F651-M688 HydrophobicContact CE2-CG 4.1Å; F651-M688 HydrophobicContact CE2-SD 3.88Å; R684-M688 WeakPolarHBondContact O-CB 3.35Å; R684-M688 PolarHBondContact O-N 3.47Å; R684-M688 VanDerWaalsContact O-N 3.09Å; Y685-M688 HydrophobicContact CD1-SD 4.13Å; Y685-M688 HydrophobicContact CE1-CE 4.45Å; Y685-M688 HydrophobicContact CE1-SD 4.39Å; Y685-M688 PolarHBondContact O-N 3.38Å; M688-I690 VanDerWaalsContact C-N 3.29Å; M688-I690 PolarHBondContact O-N 3.21Å; M688-E691 PolarHBondContact O-N 3.38Å; M688-E692 WeakPolarHBondContact O-CB 3.42Å; M688-E692 WeakPolarHBondContact O-CG 3.3Å; M688-E692 PolarHBondContact O-N 3.18Å
689L97Very high94.9Very high0 Ų043.9 Ų43.90%023%0.233CC..Hα-helixtrans-63-35.6-178.3-17356.9000112.3F651 F655 M674 Y685 C686 S687 G693 G694 L698 I718 L722F651-L689 HydrophobicContact CB-CD1 3.99Å; F651-L689 HydrophobicContact CD1-CD1 4.28Å; F651-L689 HydrophobicContact CD2-CB 3.78Å; F651-L689 HydrophobicContact CD2-CD1 3.74Å; F651-L689 HydrophobicContact CD2-CG 4.32Å; F651-L689 HydrophobicContact CE2-CB 3.67Å; F651-L689 HydrophobicContact CE2-CD1 4.24Å; F651-L689 HydrophobicContact CE2-CG 4.42Å; F651-L689 HydrophobicContact CG-CD1 3.74Å; F651-L689 HydrophobicContact CZ-CB 4.42Å; F655-L689 HydrophobicContact CE1-CD1 4.06Å; F655-L689 HydrophobicContact CZ-CD1 4.44Å; M674-L689 HydrophobicContact CE-CD1 4.26Å; M674-L689 HydrophobicContact SD-CD1 4.06Å; M674-L689 HydrophobicContact SD-CD2 4.33Å; Y685-L689 VanDerWaalsContact O-CB 3.28Å; Y685-L689 WeakPolarHBondContact O-CB 3.47Å; Y685-L689 PolarHBondContact O-N 2.9Å; C686-L689 PolarHBondContact O-N 3.44Å; S687-L689 PolarHBondContact O-N 3.21Å; L689-G693 PolarHBondContact O-N 2.99Å; L689-G694 WeakPolarHBondContact O-CA 3.37Å; L689-G694 PolarHBondContact O-N 2.97Å; L689-L698 HydrophobicContact CD2-CD1 4.15Å; L689-I718 HydrophobicContact CD2-CG2 3.97Å; L689-L722 HydrophobicContact CD2-CD1 3.97Å; L689-L722 HydrophobicContact CD2-CD2 4.29Å; L689-L722 HydrophobicContact CG-CD1 4.33Å
690I95.7Very high95Very high9 Ų944.2 Ų44.25%0.04623%0.229CC..Hα-helixtrans-71.8-45.3176.2-65159.8000110.9C686 S687 M688 E692 G693 L695 L722 I726 R731 P732C686-I690 VanDerWaalsContact O-CD1 3.26Å; C686-I690 WeakPolarHBondContact O-CD1 3.33Å; C686-I690 WeakPolarHBondContact O-CG1 3.39Å; C686-I690 PolarHBondContact O-N 3.28Å; C686-I690 VanDerWaalsContact O-N 3.08Å; S687-I690 PolarHBondContact O-N 2.91Å; M688-I690 VanDerWaalsContact C-N 3.29Å; M688-I690 PolarHBondContact O-N 3.21Å; I690-E692 VanDerWaalsContact C-N 3.29Å; I690-E692 PolarHBondContact O-N 2.84Å; I690-G693 PolarHBondContact O-N 3.49Å; I690-G693 VanDerWaalsContact O-N 3.16Å; I690-L695 HydrophobicContact CG1-CD1 4.28Å; I690-L695 HydrophobicContact CG1-CG 4.31Å; I690-L695 HydrophobicContact CG2-CD1 4.06Å; I690-L722 HydrophobicContact CD1-CB 4.46Å; I690-L722 HydrophobicContact CD1-CD2 4.19Å; I690-L722 HydrophobicContact CG1-CD1 4.48Å; I690-L722 HydrophobicContact CG1-CD2 4.11Å; I690-I726 HydrophobicContact CD1-CD1 3.86Å; I690-I726 HydrophobicContact CD1-CG1 3.58Å; I690-I726 HydrophobicContact CG1-CD1 4.42Å; I690-R731 HydrophobicContact CG2-CG 4.18Å; I690-P732 HydrophobicContact CB-CG 3.92Å; I690-P732 HydrophobicContact CG2-CG 3.74Å
691E93.8Very high95.2Very high77 Ų7740.8 Ų40.836%0.3621%0.214SC..Hα-helixtrans-60.7-37.6-178.9-74.6174.4-166.700112.5S687 M688 G693 P732 C735S687-E691 WeakPolarHBondContact O-CB 3.31Å; S687-E691 VanDerWaalsContact O-CG 3.27Å; S687-E691 WeakPolarHBondContact O-CG 3.19Å; S687-E691 PolarHBondContact O-N 2.99Å; M688-E691 PolarHBondContact O-N 3.38Å; E691-G693 VanDerWaalsContact C-N 3.31Å; E691-P732 HydrophobicContact CG-CB 3.56Å; E691-P732 HydrophobicContact CG-CG 3.74Å; E691-P732 VanDerWaalsContact OE1-CB 3.25Å; E691-P732 WeakPolarHBondContact OE1-CB 3.49Å; E691-C735 WeakPolarHBondContact O-CB 3.24Å; E691-C735 PolarHBondContact O-N 3.12Å; E691-C735 VanDerWaalsContact O-N 3.14Å
692E94.7Very high95.3Very high49 Ų4942.3 Ų42.323%0.22922%0.219CC..THydrogen-bonded Turntrans-83.7-2.7179.7-65.8-177.8157.800113.6S650 F651 F655 M688 I690S650-E692 WeakPolarHBondContact CA-OE1 3.33Å; S650-E692 WeakPolarHBondContact CB-OE1 3.49Å; S650-E692 VanDerWaalsContact OG-CD 3.22Å; S650-E692 PolarHBondContact OG-OE1 3.24Å; S650-E692 PolarHBondContact OG-OE2 3.46Å; F651-E692 WeakPolarHBondContact CA-OE2 3.47Å; F651-E692 WeakPolarHBondContact CB-OE2 3.39Å; F651-E692 PolarHBondContact N-OE2 3.33Å; F655-E692 HydrophobicContact CE2-CB 4.14Å; F655-E692 HydrophobicContact CZ-CB 4.01Å; M688-E692 WeakPolarHBondContact O-CB 3.42Å; M688-E692 WeakPolarHBondContact O-CG 3.3Å; M688-E692 PolarHBondContact O-N 3.18Å; I690-E692 VanDerWaalsContact C-N 3.29Å; I690-E692 PolarHBondContact O-N 2.84Å
693G94.4Very high95.4Very high34 Ų3445 Ų4535%0.35123%0.23SC..THydrogen-bonded Turntrans89.414.9175.200000115.4L689 I690 E691 L695 Q696L689-G693 PolarHBondContact O-N 2.99Å; I690-G693 PolarHBondContact O-N 3.49Å; I690-G693 VanDerWaalsContact O-N 3.16Å; E691-G693 VanDerWaalsContact C-N 3.31Å; G693-L695 PolarHBondContact O-N 3.26Å; G693-L695 VanDerWaalsContact O-N 3.13Å; G693-Q696 PolarHBondContact O-N 2.88Å
694G96.2Very high95.5Very high0 Ų044.6 Ų44.60%022%0.219CC..Hα-helixtrans-58.9-25-179.400000114.9L689 Q696 H697 L698L689-G694 WeakPolarHBondContact O-CA 3.37Å; L689-G694 PolarHBondContact O-N 2.97Å; G694-Q696 VanDerWaalsContact C-N 3.29Å; G694-Q696 PolarHBondContact O-N 3.08Å; G694-H697 PolarHBondContact O-N 3.28Å; G694-L698 WeakPolarHBondContact O-CG 3.35Å; G694-L698 PolarHBondContact O-N 3.32Å
695L95.3Very high95.5Very high18 Ų1848.6 Ų48.69%0.09424%0.242CC..Hα-helixtrans-53.1-45.8174.7-76.9171.7000112.1I690 G693 H697 L698 Y699 L719 L722 I726I690-L695 HydrophobicContact CG1-CD1 4.28Å; I690-L695 HydrophobicContact CG1-CG 4.31Å; I690-L695 HydrophobicContact CG2-CD1 4.06Å; G693-L695 PolarHBondContact O-N 3.26Å; G693-L695 VanDerWaalsContact O-N 3.13Å; L695-H697 VanDerWaalsContact C-N 3.33Å; L695-H697 PolarHBondContact O-N 2.94Å; L695-L698 PolarHBondContact O-N 3.01Å; L695-Y699 HydrophobicContact CB-CD2 4.44Å; L695-Y699 HydrophobicContact CB-CE2 4.38Å; L695-Y699 HydrophobicContact CD2-CE2 4.35Å; L695-Y699 WeakPolarHBondContact O-CD2 3.45Å; L695-Y699 PolarHBondContact O-N 2.95Å; L695-L719 HydrophobicContact CD2-CD2 3.99Å; L695-L722 HydrophobicContact CD2-CB 4.08Å; L695-L722 HydrophobicContact CD2-CD1 3.6Å; L695-L722 HydrophobicContact CG-CD1 4.3Å; L695-I726 HydrophobicContact CD1-CD1 4.2Å
696Q95.5Very high95.2Very high119 Ų11955.4 Ų55.456%0.55627%0.274SS*.Hα-helixtrans-65.4-39.8-177.9-173.362.157.900111.3G693 G694 L698 Y699 N700G693-Q696 PolarHBondContact O-N 2.88Å; G694-Q696 VanDerWaalsContact C-N 3.29Å; G694-Q696 PolarHBondContact O-N 3.08Å; Q696-L698 VanDerWaalsContact C-N 3.35Å; Q696-Y699 PolarHBondContact O-N 3.07Å; Q696-N700 PolarHBondContact NE2-OD1 3.46Å; Q696-N700 WeakPolarHBondContact O-CB 3.21Å; Q696-N700 PolarHBondContact O-N 3.43Å; Q696-N700 PolarHBondContact O-ND2 3.35Å; Q696-N700 PolarHBondContact O-OD1 3.11Å
697H96.8Very high95.2Very high62 Ų6256 Ų5629%0.28728%0.278SS..Hα-helixtrans-63.4-41.6177-68.2-84.3000111.7F655 L658 G694 L695 N700 I701F655-H697 AromaticContact CD1-CD2 3.81Å; F655-H697 AromaticContact CG-CD2 3.91Å; F655-H697 AromaticContact CG-NE2 3.78Å; L658-H697 HydrophobicContact CD1-CB 3.62Å; G694-H697 PolarHBondContact O-N 3.28Å; L695-H697 VanDerWaalsContact C-N 3.33Å; L695-H697 PolarHBondContact O-N 2.94Å; H697-N700 PolarHBondContact O-N 2.91Å; H697-I701 WeakPolarHBondContact O-CG1 3.22Å; H697-I701 PolarHBondContact O-N 2.89Å; H697-I701 VanDerWaalsContact O-N 3.09Å
698L97.7Very high95.2Very high0 Ų056.2 Ų56.20%028%0.276CS..Hα-helixtrans-70-39.1178.4-66.9170.9000112.8L689 G694 L695 Q696 N700 I701 K702 A715 I718 L719 L722L689-L698 HydrophobicContact CD2-CD1 4.15Å; G694-L698 WeakPolarHBondContact O-CG 3.35Å; G694-L698 PolarHBondContact O-N 3.32Å; L695-L698 PolarHBondContact O-N 3.01Å; Q696-L698 VanDerWaalsContact C-N 3.35Å; L698-N700 VanDerWaalsContact C-N 3.35Å; L698-I701 PolarHBondContact O-N 3Å; L698-K702 PolarHBondContact O-N 3.21Å; L698-A715 HydrophobicContact CD2-CB 4.1Å; L698-I718 HydrophobicContact CD1-CB 4.14Å; L698-I718 HydrophobicContact CD1-CG2 3.5Å; L698-I718 HydrophobicContact CD2-CD1 4.2Å; L698-L719 HydrophobicContact CB-CD1 4.19Å; L698-L719 HydrophobicContact CB-CD2 3.69Å; L698-L719 HydrophobicContact CB-CG 3.83Å; L698-L719 HydrophobicContact CD1-CD2 4.2Å; L698-L719 HydrophobicContact CD1-CG 4.37Å; L698-L722 HydrophobicContact CD1-CD1 3.73Å
699Y97.4Very high95.3Very high73 Ų7359.2 Ų59.229%0.28630%0.298SS..Hα-helixtrans-62.7-42.1172.1-78.7-61.7000111.6L695 Q696 I701 K702 D703 L719 E723L695-Y699 HydrophobicContact CB-CD2 4.44Å; L695-Y699 HydrophobicContact CB-CE2 4.38Å; L695-Y699 HydrophobicContact CD2-CE2 4.35Å; L695-Y699 WeakPolarHBondContact O-CD2 3.45Å; L695-Y699 PolarHBondContact O-N 2.95Å; Q696-Y699 PolarHBondContact O-N 3.07Å; Y699-I701 VanDerWaalsContact C-N 3.27Å; Y699-I701 PolarHBondContact O-N 3.07Å; Y699-K702 HydrophobicContact CD1-CD 4.44Å; Y699-K702 WeakPolarHBondContact O-CB 3.09Å; Y699-K702 PolarHBondContact O-N 3.12Å; Y699-K702 VanDerWaalsContact O-N 3.13Å; Y699-D703 WeakPolarHBondContact O-CB 3.32Å; Y699-D703 PolarHBondContact O-N 3.44Å; Y699-L719 HydrophobicContact CD1-CD1 4.05Å; Y699-L719 HydrophobicContact CD1-CD2 4.36Å; Y699-L719 HydrophobicContact CD2-CD2 4.22Å; Y699-L719 HydrophobicContact CE1-CD1 4.14Å; Y699-L719 HydrophobicContact CE1-CD2 4.16Å; Y699-L719 HydrophobicContact CE2-CD2 3.99Å; Y699-L719 HydrophobicContact CG-CD2 4.38Å; Y699-E723 PolarHBondContact OH-OE1 3.41Å
700N96.5Very high95.2Very high75 Ų7562.8 Ų62.840%0.40132%0.315SS..Hα-helixtrans-58.5-40.9174.8-66.7-7.8000111.5Q696 H697 L698 H704Q696-N700 PolarHBondContact NE2-OD1 3.46Å; Q696-N700 WeakPolarHBondContact O-CB 3.21Å; Q696-N700 PolarHBondContact O-N 3.43Å; Q696-N700 PolarHBondContact O-ND2 3.35Å; Q696-N700 PolarHBondContact O-OD1 3.11Å; H697-N700 PolarHBondContact O-N 2.91Å; L698-N700 VanDerWaalsContact C-N 3.35Å; N700-H704 WeakPolarHBondContact O-CB 3.41Å; N700-H704 PolarHBondContact O-N 3.32Å; N700-H704 VanDerWaalsContact O-N 3.14Å
701I96.9Very high95.3Very high1 Ų162.3 Ų62.31%0.00531%0.312CS..Hα-helixtrans-64.1-46174.9-72.3172.1000111.2L658 F661 V671 H697 L698 Y699 D703 T707 V711 A715L658-I701 HydrophobicContact CB-CD1 3.9Å; L658-I701 HydrophobicContact CD1-CD1 4.31Å; L658-I701 HydrophobicContact CD2-CD1 3.69Å; L658-I701 HydrophobicContact CG-CD1 4.16Å; F661-I701 HydrophobicContact CE1-CG1 4.42Å; V671-I701 HydrophobicContact CG1-CD1 3.97Å; H697-I701 WeakPolarHBondContact O-CG1 3.22Å; H697-I701 PolarHBondContact O-N 2.89Å; H697-I701 VanDerWaalsContact O-N 3.09Å; L698-I701 PolarHBondContact O-N 3Å; Y699-I701 VanDerWaalsContact C-N 3.27Å; Y699-I701 PolarHBondContact O-N 3.07Å; I701-D703 VanDerWaalsContact C-N 3.31Å; I701-D703 PolarHBondContact O-N 3.08Å; I701-T707 HydrophobicContact CG2-CG2 3.58Å; I701-T707 WeakPolarHBondContact O-CB 3.46Å; I701-T707 WeakPolarHBondContact O-CG2 3.3Å; I701-T707 PolarHBondContact O-OG1 3.27Å; I701-V711 HydrophobicContact CG2-CG1 3.76Å; I701-A715 HydrophobicContact CB-CB 4.24Å; I701-A715 HydrophobicContact CG2-CB 3.61Å
702K95.6Very high95.5Very high77 Ų7762.4 Ų62.434%0.33531%0.313SS..Hα-helixtrans-58.6-42.1-179.8-179.7-177.9173.9-179.70112.2L698 Y699 Q712 V716 L719L698-K702 PolarHBondContact O-N 3.21Å; Y699-K702 HydrophobicContact CD1-CD 4.44Å; Y699-K702 WeakPolarHBondContact O-CB 3.09Å; Y699-K702 PolarHBondContact O-N 3.12Å; Y699-K702 VanDerWaalsContact O-N 3.13Å; K702-Q712 PolarHBondContact O-NE2 3.43Å; K702-V716 HydrophobicContact CD-CG2 4.14Å; K702-V716 HydrophobicContact CG-CG2 3.98Å; K702-L719 HydrophobicContact CB-CD1 4.22Å; K702-L719 HydrophobicContact CD-CD1 3.83Å
703D94.7Very high95.6Very high115 Ų11566.5 Ų66.562%0.61533%0.332SS*.Hα-helixtrans-93.9-10.5-169.9-60.9-24.8000113.7Y699 I701Y699-D703 WeakPolarHBondContact O-CB 3.32Å; Y699-D703 PolarHBondContact O-N 3.44Å; I701-D703 VanDerWaalsContact C-N 3.31Å; I701-D703 PolarHBondContact O-N 3.08Å
704H94.5Very high95.7Very high70 Ų7065.9 Ų65.932%0.32432%0.32SS..  trans-80.1126.2-177.2-169.7-75.7000112.2F661 N700 H706 T707F661-H704 HydrophobicContact CD1-CB 4.09Å; F661-H704 AromaticContact CD1-CD2 3.98Å; F661-H704 AromaticContact CD1-CE1 3.74Å; F661-H704 AromaticContact CD1-CG 3.6Å; F661-H704 AromaticContact CD1-ND1 3.43Å; F661-H704 WeakPolarHBondContact CD1-ND1 3.33Å; F661-H704 AromaticContact CD2-NE2 3.87Å; F661-H704 HydrophobicContact CE1-CB 3.46Å; F661-H704 VanDerWaalsContact CE1-CB 3.46Å; F661-H704 AromaticContact CE1-CD2 3.78Å; F661-H704 AromaticContact CE1-CG 3.4Å; F661-H704 VanDerWaalsContact CE1-CG 3.4Å; F661-H704 AromaticContact CE1-ND1 3.75Å; F661-H704 AromaticContact CE2-CD2 3.84Å; F661-H704 AromaticContact CG-CE1 3.69Å; F661-H704 AromaticContact CG-ND1 3.88Å; F661-H704 AromaticContact CG-NE2 3.84Å; F661-H704 HydrophobicContact CZ-CB 3.9Å; F661-H704 AromaticContact CZ-CD2 3.71Å; F661-H704 AromaticContact CZ-CG 3.78Å; N700-H704 WeakPolarHBondContact O-CB 3.41Å; N700-H704 PolarHBondContact O-N 3.32Å; N700-H704 VanDerWaalsContact O-N 3.14Å; H704-H706 PolarHBondContact ND1-N 3.3Å; H704-H706 PolarHBondContact O-N 3.1Å; H704-H706 VanDerWaalsContact O-N 3.13Å; H704-T707 WeakPolarHBondContact O-CB 3.33Å; H704-T707 PolarHBondContact O-N 3.36Å; H704-T707 VanDerWaalsContact O-N 3.15Å; H704-T707 PolarHBondContact O-OG1 3.32Å; H704-T707 VanDerWaalsContact O-OG1 3.13Å
705E91.4Very high95.8Very high185 Ų18565.9 Ų65.986%0.86432%0.32SS*.THydrogen-bonded Turntrans-62-25.6-170.5-63.3-175.9170.400114.7
706H90.1Very high95.9Very high143 Ų14367.1 Ų67.166%0.66233%0.329SS*.THydrogen-bonded Turntrans-102.111.3-178.2-58.2-50000114.4H704 D708H704-H706 PolarHBondContact ND1-N 3.3Å; H704-H706 PolarHBondContact O-N 3.1Å; H704-H706 VanDerWaalsContact O-N 3.13Å; H706-D708 PolarHBondContact O-N 3.29Å
707T94.6Very high96Very high14 Ų1463.1 Ų63.19%0.08632%0.316CS..  trans-65.7133.5176.3-61.50000110.4I701 H704 V711 Q712I701-T707 HydrophobicContact CG2-CG2 3.58Å; I701-T707 WeakPolarHBondContact O-CB 3.46Å; I701-T707 WeakPolarHBondContact O-CG2 3.3Å; I701-T707 PolarHBondContact O-OG1 3.27Å; H704-T707 WeakPolarHBondContact O-CB 3.33Å; H704-T707 PolarHBondContact O-N 3.36Å; H704-T707 VanDerWaalsContact O-N 3.15Å; H704-T707 PolarHBondContact O-OG1 3.32Å; H704-T707 VanDerWaalsContact O-OG1 3.13Å; T707-V711 HydrophobicContact CG2-CB 4.03Å; T707-V711 HydrophobicContact CG2-CG1 3.94Å; T707-Q712 HydrophobicContact CG2-CB 3.83Å; T707-Q712 HydrophobicContact CG2-CG 4.49Å
708D96.1Very high96Very high31 Ų3160.2 Ų60.217%0.16630%0.302CS..  trans-59.3137.9173.9178.2-84.9000111.5H632 P664 H706 H710 V711 Q712H632-D708 IonicContact NE2-OD1 2.71Å; H632-D708 IonicContact NE2-OD2 3.69Å; P664-D708 HydrophobicContact CB-CB 3.72Å; P664-D708 HydrophobicContact CG-CB 4.11Å; H706-D708 PolarHBondContact O-N 3.29Å; D708-H710 VanDerWaalsContact C-N 3.28Å; D708-H710 PolarHBondContact O-N 3Å; D708-H710 WeakPolarHBondContact OD1-CB 3.32Å; D708-H710 IonicContact OD1-CG 2.78Å; D708-H710 PolarHBondContact OD1-N 2.68Å; D708-H710 IonicContact OD1-ND1 2.7Å; D708-H710 PolarHBondContact OD1-ND1 3.4Å; D708-V711 HydrophobicContact CB-CB 4.25Å; D708-V711 HydrophobicContact CB-CG2 3.91Å; D708-V711 WeakPolarHBondContact O-CB 3.22Å; D708-V711 PolarHBondContact O-N 3.49Å; D708-V711 VanDerWaalsContact O-N 3.08Å; D708-Q712 PolarHBondContact O-N 3.07Å
709P96.1Very high96Very high91 Ų9160.3 Ų60.359%0.59130%0.303SS*.Hα-helixtrans-54.8-37.2-176.6-28.735.9000115Q713P709-Q713 WeakPolarHBondContact O-CB 3.42Å; P709-Q713 PolarHBondContact O-N 3.12Å
710H95.7Very high96Very high75 Ų7560.2 Ų60.235%0.34731%0.307SS..Hα-helixtrans-71.6-40.6179-58.295.8000111.1L636 L668 D708 Q712 Q713 I714L636-H710 HydrophobicContact CD2-CB 4.03Å; L668-H710 HydrophobicContact CD1-CB 4.06Å; D708-H710 VanDerWaalsContact C-N 3.28Å; D708-H710 PolarHBondContact O-N 3Å; D708-H710 WeakPolarHBondContact OD1-CB 3.32Å; D708-H710 IonicContact OD1-CG 2.78Å; D708-H710 PolarHBondContact OD1-N 2.68Å; D708-H710 IonicContact OD1-ND1 2.7Å; D708-H710 PolarHBondContact OD1-ND1 3.4Å; H710-Q712 VanDerWaalsContact C-N 3.34Å; H710-Q713 PolarHBondContact O-N 2.92Å; H710-I714 WeakPolarHBondContact O-CG1 3.45Å; H710-I714 PolarHBondContact O-N 3.3Å
711V97.4Very high95.9Very high0 Ų059.1 Ų59.10%031%0.305CS..Hα-helixtrans-60.8-46.8175.4177.80000110.1Q667 L668 V671 I701 T707 D708 Q713 I714 A715Q667-V711 HydrophobicContact CB-CG1 3.82Å; Q667-V711 HydrophobicContact CB-CG2 4.04Å; L668-V711 HydrophobicContact CB-CG2 3.88Å; L668-V711 HydrophobicContact CD1-CG2 4.1Å; V671-V711 HydrophobicContact CG1-CG1 4.22Å; V671-V711 HydrophobicContact CG2-CG1 4.19Å; I701-V711 HydrophobicContact CG2-CG1 3.76Å; T707-V711 HydrophobicContact CG2-CB 4.03Å; T707-V711 HydrophobicContact CG2-CG1 3.94Å; D708-V711 HydrophobicContact CB-CB 4.25Å; D708-V711 HydrophobicContact CB-CG2 3.91Å; D708-V711 WeakPolarHBondContact O-CB 3.22Å; D708-V711 PolarHBondContact O-N 3.49Å; D708-V711 VanDerWaalsContact O-N 3.08Å; V711-Q713 PolarHBondContact O-N 3.19Å; V711-I714 PolarHBondContact O-N 2.98Å; V711-A715 WeakPolarHBondContact O-CB 3.39Å; V711-A715 PolarHBondContact O-N 3.09Å
712Q97.6Very high95.9Very high78 Ų7859 Ų5936%0.36431%0.305SS..Hα-helixtrans-61.1-44.4178.1-164.2-17738.100111.4K702 T707 D708 H710 I714 A715 V716K702-Q712 PolarHBondContact O-NE2 3.43Å; T707-Q712 HydrophobicContact CG2-CB 3.83Å; T707-Q712 HydrophobicContact CG2-CG 4.49Å; D708-Q712 PolarHBondContact O-N 3.07Å; H710-Q712 VanDerWaalsContact C-N 3.34Å; Q712-I714 PolarHBondContact O-N 2.77Å; Q712-A715 PolarHBondContact O-N 3.47Å; Q712-V716 VanDerWaalsContact O-CG2 3.31Å; Q712-V716 WeakPolarHBondContact O-CG2 3.41Å; Q712-V716 PolarHBondContact O-N 2.89Å
713Q97Very high95.8Very high136 Ų13659.4 Ų59.464%0.63631%0.308SS*.Hα-helixtrans-59.2-47178.5-175.8-176.813.800112P709 H710 V711 V716 A717P709-Q713 WeakPolarHBondContact O-CB 3.42Å; P709-Q713 PolarHBondContact O-N 3.12Å; H710-Q713 PolarHBondContact O-N 2.92Å; V711-Q713 PolarHBondContact O-N 3.19Å; Q713-V716 PolarHBondContact O-N 3.44Å; Q713-A717 PolarHBondContact O-N 3.41Å; Q713-A717 VanDerWaalsContact O-N 3.08Å
714I97.2Very high95.8Very high20 Ų2060.1 Ų60.110%0.10331%0.305CS..Hα-helixtrans-66.6-44179.1-65.3169.7000110.4L668 V671 Q675 H710 V711 Q712 V716 A717 I718L668-I714 HydrophobicContact CD1-CD1 3.74Å; V671-I714 HydrophobicContact CB-CB 4.31Å; V671-I714 HydrophobicContact CB-CG2 3.79Å; V671-I714 HydrophobicContact CG2-CB 3.84Å; V671-I714 HydrophobicContact CG2-CD1 4.11Å; V671-I714 HydrophobicContact CG2-CG2 3.73Å; V671-I714 WeakPolarHBondContact O-CG2 3.34Å; Q675-I714 HydrophobicContact CB-CG2 3.74Å; Q675-I714 HydrophobicContact CG-CG2 4.22Å; H710-I714 WeakPolarHBondContact O-CG1 3.45Å; H710-I714 PolarHBondContact O-N 3.3Å; V711-I714 PolarHBondContact O-N 2.98Å; Q712-I714 PolarHBondContact O-N 2.77Å; I714-V716 VanDerWaalsContact C-N 3.32Å; I714-V716 PolarHBondContact O-N 2.84Å; I714-A717 WeakPolarHBondContact O-CB 3.28Å; I714-A717 PolarHBondContact O-N 2.89Å; I714-A717 VanDerWaalsContact O-N 3.14Å; I714-I718 HydrophobicContact CG2-CD1 3.98Å; I714-I718 HydrophobicContact CG2-CG1 4.41Å; I714-I718 WeakPolarHBondContact O-CG1 3.16Å; I714-I718 PolarHBondContact O-N 3.44Å
715A97.7Very high95.7Very high0 Ų057.4 Ų57.40%029%0.293CS..Hα-helixtrans-59.8-41.9178.600000112.3L698 I701 V711 Q712 I718 L719L698-A715 HydrophobicContact CD2-CB 4.1Å; I701-A715 HydrophobicContact CB-CB 4.24Å; I701-A715 HydrophobicContact CG2-CB 3.61Å; V711-A715 WeakPolarHBondContact O-CB 3.39Å; V711-A715 PolarHBondContact O-N 3.09Å; Q712-A715 PolarHBondContact O-N 3.47Å; A715-I718 PolarHBondContact O-N 3.16Å; A715-L719 WeakPolarHBondContact O-CG 3.38Å; A715-L719 PolarHBondContact O-N 2.89Å
716V97.7Very high95.8Very high45 Ų4550.7 Ų50.727%0.27326%0.263SS..Hα-helixtrans-63.1-43.5174.21710000111.2K702 Q712 Q713 I714 I718 L719 D720K702-V716 HydrophobicContact CD-CG2 4.14Å; K702-V716 HydrophobicContact CG-CG2 3.98Å; Q712-V716 VanDerWaalsContact O-CG2 3.31Å; Q712-V716 WeakPolarHBondContact O-CG2 3.41Å; Q712-V716 PolarHBondContact O-N 2.89Å; Q713-V716 PolarHBondContact O-N 3.44Å; I714-V716 VanDerWaalsContact C-N 3.32Å; I714-V716 PolarHBondContact O-N 2.84Å; V716-I718 VanDerWaalsContact C-N 3.29Å; V716-I718 PolarHBondContact O-N 3Å; V716-L719 WeakPolarHBondContact O-CB 3.33Å; V716-L719 PolarHBondContact O-N 3.24Å; V716-D720 PolarHBondContact O-N 2.97Å
717A96.8Very high95.9Very high34 Ų3450 Ų5028%0.28127%0.268SS..Hα-helixtrans-62.7-35.4177.200000112.9Q713 I714 S721Q713-A717 PolarHBondContact O-N 3.41Å; Q713-A717 VanDerWaalsContact O-N 3.08Å; I714-A717 WeakPolarHBondContact O-CB 3.28Å; I714-A717 PolarHBondContact O-N 2.89Å; I714-A717 VanDerWaalsContact O-N 3.14Å; A717-S721 PolarHBondContact O-N 3.45Å; A717-S721 PolarHBondContact O-OG 3.15Å
718I97.5Very high95.7Very high2 Ų259 Ų591%0.0130%0.301CS..Hα-helixtrans-67-49.1172.7-61.8163.9000109.7V671 M674 Q675 L689 L698 I714 A715 V716 D720 S721 L722V671-I718 HydrophobicContact CB-CD1 4.37Å; V671-I718 WeakPolarHBondContact O-CD1 3.26Å; M674-I718 HydrophobicContact CB-CD1 3.84Å; Q675-I718 HydrophobicContact CB-CD1 4.03Å; Q675-I718 HydrophobicContact CB-CG1 3.91Å; Q675-I718 HydrophobicContact CG-CG1 4.36Å; L689-I718 HydrophobicContact CD2-CG2 3.97Å; L698-I718 HydrophobicContact CD1-CB 4.14Å; L698-I718 HydrophobicContact CD1-CG2 3.5Å; L698-I718 HydrophobicContact CD2-CD1 4.2Å; I714-I718 HydrophobicContact CG2-CD1 3.98Å; I714-I718 HydrophobicContact CG2-CG1 4.41Å; I714-I718 WeakPolarHBondContact O-CG1 3.16Å; I714-I718 PolarHBondContact O-N 3.44Å; A715-I718 PolarHBondContact O-N 3.16Å; V716-I718 VanDerWaalsContact C-N 3.29Å; V716-I718 PolarHBondContact O-N 3Å; I718-D720 VanDerWaalsContact C-N 3.32Å; I718-D720 PolarHBondContact O-N 3.41Å; I718-S721 CarbonylContact O-C 3.58Å; I718-S721 WeakPolarHBondContact O-CA 3.41Å; I718-S721 WeakPolarHBondContact O-CB 3.37Å; I718-S721 PolarHBondContact O-N 3.19Å; I718-L722 HydrophobicContact CG2-CD1 4.06Å; I718-L722 HydrophobicContact CG2-CG 4.11Å; I718-L722 WeakPolarHBondContact O-CG 3.37Å; I718-L722 PolarHBondContact O-N 3.26Å
719L97.8Very high95.4Very high2 Ų264 Ų641%0.0132%0.322CS..Hα-helixtrans-54.5-46.6178-75.5169000111.9L695 L698 Y699 K702 A715 V716 S721 L722 E723L695-L719 HydrophobicContact CD2-CD2 3.99Å; L698-L719 HydrophobicContact CB-CD1 4.19Å; L698-L719 HydrophobicContact CB-CD2 3.69Å; L698-L719 HydrophobicContact CB-CG 3.83Å; L698-L719 HydrophobicContact CD1-CD2 4.2Å; L698-L719 HydrophobicContact CD1-CG 4.37Å; Y699-L719 HydrophobicContact CD1-CD1 4.05Å; Y699-L719 HydrophobicContact CD1-CD2 4.36Å; Y699-L719 HydrophobicContact CD2-CD2 4.22Å; Y699-L719 HydrophobicContact CE1-CD1 4.14Å; Y699-L719 HydrophobicContact CE1-CD2 4.16Å; Y699-L719 HydrophobicContact CE2-CD2 3.99Å; Y699-L719 HydrophobicContact CG-CD2 4.38Å; K702-L719 HydrophobicContact CB-CD1 4.22Å; K702-L719 HydrophobicContact CD-CD1 3.83Å; A715-L719 WeakPolarHBondContact O-CG 3.38Å; A715-L719 PolarHBondContact O-N 2.89Å; V716-L719 WeakPolarHBondContact O-CB 3.33Å; V716-L719 PolarHBondContact O-N 3.24Å; L719-S721 PolarHBondContact O-N 3.17Å; L719-L722 PolarHBondContact O-N 3.45Å; L719-L722 VanDerWaalsContact O-N 3.13Å; L719-E723 WeakPolarHBondContact O-CG 3.44Å; L719-E723 PolarHBondContact O-N 3.32Å
720D96.4Very high94.9Very high70 Ų7061.4 Ų61.437%0.37431%0.312SS..Hα-helixtrans-58.4-38.2175.8-72.5-7.7000112.2V716 I718 K724V716-D720 PolarHBondContact O-N 2.97Å; I718-D720 VanDerWaalsContact C-N 3.32Å; I718-D720 PolarHBondContact O-N 3.41Å; D720-K724 WeakPolarHBondContact O-CB 3.41Å; D720-K724 WeakPolarHBondContact O-CD 3.38Å; D720-K724 VanDerWaalsContact O-CG 3.23Å; D720-K724 WeakPolarHBondContact O-CG 3.35Å; D720-K724 PolarHBondContact O-N 3.02Å; D720-K724 VanDerWaalsContact O-N 3.09Å
721S95.1Very high94.4Very high52 Ų5266.5 Ų66.536%0.36433%0.329SS..Hα-helixtrans-69.8-40.3177.7-58.40000111.4A717 I718 L719 H725A717-S721 PolarHBondContact O-N 3.45Å; A717-S721 PolarHBondContact O-OG 3.15Å; I718-S721 CarbonylContact O-C 3.58Å; I718-S721 WeakPolarHBondContact O-CA 3.41Å; I718-S721 WeakPolarHBondContact O-CB 3.37Å; I718-S721 PolarHBondContact O-N 3.19Å; L719-S721 PolarHBondContact O-N 3.17Å; S721-H725 WeakPolarHBondContact O-CB 3.44Å; S721-H725 PolarHBondContact O-N 2.84Å
722L96.2Very high93.4Very high0 Ų067.5 Ų67.50%034%0.335CS..Hα-helixtrans-67-41.6175.7-63.7-178.1000111.8C686 L689 I690 L695 L698 I718 L719 H725 I726C686-L722 HydrophobicContact CB-CD2 3.57Å; L689-L722 HydrophobicContact CD2-CD1 3.97Å; L689-L722 HydrophobicContact CD2-CD2 4.29Å; L689-L722 HydrophobicContact CG-CD1 4.33Å; I690-L722 HydrophobicContact CD1-CB 4.46Å; I690-L722 HydrophobicContact CD1-CD2 4.19Å; I690-L722 HydrophobicContact CG1-CD1 4.48Å; I690-L722 HydrophobicContact CG1-CD2 4.11Å; L695-L722 HydrophobicContact CD2-CB 4.08Å; L695-L722 HydrophobicContact CD2-CD1 3.6Å; L695-L722 HydrophobicContact CG-CD1 4.3Å; L698-L722 HydrophobicContact CD1-CD1 3.73Å; I718-L722 HydrophobicContact CG2-CD1 4.06Å; I718-L722 HydrophobicContact CG2-CG 4.11Å; I718-L722 WeakPolarHBondContact O-CG 3.37Å; I718-L722 PolarHBondContact O-N 3.26Å; L719-L722 PolarHBondContact O-N 3.45Å; L719-L722 VanDerWaalsContact O-N 3.13Å; L722-H725 WeakPolarHBondContact O-CB 3.35Å; L722-H725 PolarHBondContact O-N 3.33Å; L722-I726 VanDerWaalsContact O-CG1 3.26Å; L722-I726 WeakPolarHBondContact O-CG1 3.42Å; L722-I726 PolarHBondContact O-N 3.42Å
723E94.5Very high92.3Very high85 Ų8568.5 Ų68.540%0.39735%0.348SS..Hα-helixtrans-61.4-47.2175.4-74.9-179.1-170.900111.4Y699 L719 H725 I726 V727Y699-E723 PolarHBondContact OH-OE1 3.41Å; L719-E723 WeakPolarHBondContact O-CG 3.44Å; L719-E723 PolarHBondContact O-N 3.32Å; E723-H725 VanDerWaalsContact C-N 3.26Å; E723-H725 PolarHBondContact O-N 3.27Å; E723-I726 PolarHBondContact O-N 3.06Å; E723-V727 WeakPolarHBondContact O-CG2 3.36Å; E723-V727 PolarHBondContact O-N 3.31Å
724K94Very high91.1Very high129 Ų12967.3 Ų67.356%0.56135%0.352SS*.Hα-helixtrans-58.7-39174.2-73166.9-171.3164.20111.9D720 R728D720-K724 WeakPolarHBondContact O-CB 3.41Å; D720-K724 WeakPolarHBondContact O-CD 3.38Å; D720-K724 VanDerWaalsContact O-CG 3.23Å; D720-K724 WeakPolarHBondContact O-CG 3.35Å; D720-K724 PolarHBondContact O-N 3.02Å; D720-K724 VanDerWaalsContact O-N 3.09Å; K724-R728 WeakPolarHBondContact O-CG 3.49Å; K724-R728 PolarHBondContact O-N 2.71Å
725H93.7Very high89.4Confident13 Ų1370 Ų706%0.0637%0.372CS..Hα-helixtrans-65.4-47.1176.6-173.675.5000111.9C686 S687 S721 L722 E723 V727 R728 H729C686-H725 HydrophobicContact CB-CB 3.96Å; S687-H725 PolarHBondContact OG-NE2 3.19Å; S721-H725 WeakPolarHBondContact O-CB 3.44Å; S721-H725 PolarHBondContact O-N 2.84Å; L722-H725 WeakPolarHBondContact O-CB 3.35Å; L722-H725 PolarHBondContact O-N 3.33Å; E723-H725 VanDerWaalsContact C-N 3.26Å; E723-H725 PolarHBondContact O-N 3.27Å; H725-V727 VanDerWaalsContact C-N 3.33Å; H725-V727 PolarHBondContact O-N 3.44Å; H725-R728 PolarHBondContact O-N 2.71Å; H725-R728 VanDerWaalsContact O-N 3.15Å; H725-H729 AromaticContact CE1-CD2 3.45Å; H725-H729 PolarHBondContact CE1-CD2 2.99Å; H725-H729 VanDerWaalsContact CE1-CD2 3.45Å; H725-H729 AromaticContact CE1-CG 4Å; H725-H729 AromaticContact ND1-CD2 3.35Å; H725-H729 PolarHBondContact ND1-CD2 3.38Å; H725-H729 PolarHBondContact O-N 3.31Å
726I93.6Very high87Confident45 Ų4579.3 Ų79.323%0.23141%0.413CS..Hα-helixtrans-60.5-42.3177.6-69.3164.1000111.1I690 L695 L722 E723 R728 G730 R731I690-I726 HydrophobicContact CD1-CD1 3.86Å; I690-I726 HydrophobicContact CD1-CG1 3.58Å; I690-I726 HydrophobicContact CG1-CD1 4.42Å; L695-I726 HydrophobicContact CD1-CD1 4.2Å; L722-I726 VanDerWaalsContact O-CG1 3.26Å; L722-I726 WeakPolarHBondContact O-CG1 3.42Å; L722-I726 PolarHBondContact O-N 3.42Å; E723-I726 PolarHBondContact O-N 3.06Å; I726-R728 VanDerWaalsContact C-N 3.29Å; I726-R728 PolarHBondContact O-N 2.97Å; I726-G730 CarbonylContact O-C 3.48Å; I726-G730 WeakPolarHBondContact O-CA 3.49Å; I726-G730 PolarHBondContact O-N 3.39Å; I726-R731 HydrophobicContact CG2-CB 4.28Å
727V92.1Very high84.4Confident127 Ų12786.6 Ų86.677%0.7744%0.44SS*.Hα-helixtrans-62.6-37.5177.4170.30000111.6E723 H725E723-V727 WeakPolarHBondContact O-CG2 3.36Å; E723-V727 PolarHBondContact O-N 3.31Å; H725-V727 VanDerWaalsContact C-N 3.33Å; H725-V727 PolarHBondContact O-N 3.44Å
728R90.7Very high81.8Confident205 Ų20592.1 Ų92.177%0.77446%0.461SS*.Hα-helixtrans-81.6-39.4-177.3-73.3176.9180-174.70.5113.9K724 H725 I726K724-R728 WeakPolarHBondContact O-CG 3.49Å; K724-R728 PolarHBondContact O-N 2.71Å; H725-R728 PolarHBondContact O-N 2.71Å; H725-R728 VanDerWaalsContact O-N 3.15Å; I726-R728 VanDerWaalsContact C-N 3.29Å; I726-R728 PolarHBondContact O-N 2.97Å
729H88.9Confident78.6Confident135 Ų13597.8 Ų97.863%0.62550%0.498SS*.Hα-helixtrans-115.5-4.7-169-62.2-72000113.8H725H725-H729 AromaticContact CE1-CD2 3.45Å; H725-H729 PolarHBondContact CE1-CD2 2.99Å; H725-H729 VanDerWaalsContact CE1-CD2 3.45Å; H725-H729 AromaticContact CE1-CG 4Å; H725-H729 AromaticContact ND1-CD2 3.35Å; H725-H729 PolarHBondContact ND1-CD2 3.38Å; H725-H729 PolarHBondContact O-N 3.31Å
730G86.3Confident75.4Confident37 Ų37106.1 Ų106.138%0.38154%0.537SS..  trans80.3167.8-169.500000112.2I726 P732I726-G730 CarbonylContact O-C 3.48Å; I726-G730 WeakPolarHBondContact O-CA 3.49Å; I726-G730 PolarHBondContact O-N 3.39Å; G730-P732 WeakPolarHBondContact O-CD 3.23Å
731R84Confident72.4Confident182 Ų182106.8 Ų106.869%0.68755%0.551SS**PPolyproline II helixtrans-79.5121.1173.6-168.2175.5-174.9171.22.4108.8I690 I726I690-R731 HydrophobicContact CG2-CG 4.18Å; I726-R731 HydrophobicContact CG2-CB 4.28Å
732P76.9Confident69.1Low21 Ų21115.5 Ų115.514%0.13658%0.576CS.*PPolyproline II helixtrans-62.9149.2173.725.8-32.7000110.5I690 E691 G730I690-P732 HydrophobicContact CB-CG 3.92Å; I690-P732 HydrophobicContact CG2-CG 3.74Å; E691-P732 HydrophobicContact CG-CB 3.56Å; E691-P732 HydrophobicContact CG-CG 3.74Å; E691-P732 VanDerWaalsContact OE1-CB 3.25Å; E691-P732 WeakPolarHBondContact OE1-CB 3.49Å; G730-P732 WeakPolarHBondContact O-CD 3.23Å
733P75.3Confident66Low99 Ų99123.4 Ų123.464%0.64362%0.618SS**PPolyproline II helixtrans-61.1141.4178.926.2-33000109.9C735P733-C735 PolarHBondContact O-N 3.42Å
734P71.9Confident63Low110 Ų110129.9 Ų129.971%0.71466%0.655SS**PPolyproline II helixtrans-58.4138176.223.3-31.3000109.8K736P734-K736 PolarHBondContact O-N 3.19Å; P734-K736 VanDerWaalsContact O-N 3.15Å
735C59.9Low61.5Low78 Ų78130 Ų13053%0.52766%0.66SS.*PPolyproline II helixtrans-54.9124.9176.8-169.20000108.5E691 P733 K737E691-C735 WeakPolarHBondContact O-CB 3.24Å; E691-C735 PolarHBondContact O-N 3.12Å; E691-C735 VanDerWaalsContact O-N 3.14Å; P733-C735 PolarHBondContact O-N 3.42Å; C735-K737 VanDerWaalsContact C-N 3.29Å; C735-K737 PolarHBondContact O-N 3.24Å
736K48.4Very low59.8Low195 Ų195136.1 Ų136.185%0.84869%0.691SS**  trans-61.499.5170.4-76.3-177.7179.7177.60105.7P734 Q738P734-K736 PolarHBondContact O-N 3.19Å; P734-K736 VanDerWaalsContact O-N 3.15Å; K736-Q738 PolarHBondContact O-N 3.34Å
737K43.3Very low57.9Low197 Ų197141.2 Ų141.286%0.85772%0.717SS**  trans-49.1108.4169.1-78.4-172.3174.6-174.90107.1C735C735-K737 VanDerWaalsContact C-N 3.29Å; C735-K737 PolarHBondContact O-N 3.24Å
738Q40.7Very low55.9Low151 Ų151142 Ų14271%0.70671%0.714SS**  trans-61.4134.2162.5-68.9-173.19.300105.6K736 Q740K736-Q738 PolarHBondContact O-N 3.34Å; Q738-Q740 PolarHBondContact O-N 3.04Å
739P30.5Very low53.7Low121 Ų121138.1 Ų138.179%0.78671%0.71SS**  trans-56.5116.9-174.322.2-31.1000107.9A741P739-A741 PolarHBondContact O-N 3.32Å
740Q31.8Very low51.4Low177 Ų177138.3 Ų138.383%0.82772%0.716SS**  trans-48114.9161-79.7173.8-2700105.2Q738 R742Q738-Q740 PolarHBondContact O-N 3.04Å; Q740-R742 PolarHBondContact O-N 2.95Å
741A32Very low48.9Very low83 Ų83145.5 Ų145.569%0.68674%0.74SS**  trans-49.9113.6166.700000104.9P739 L743P739-A741 PolarHBondContact O-N 3.32Å; A741-L743 PolarHBondContact O-N 2.66Å
742R27Very low46.2Very low236 Ų236142.7 Ų142.789%0.89174%0.744SS**  trans-64.185.6169.9-77.1-176.4176.5-177.8-1.9105.7Q740 N744Q740-R742 PolarHBondContact O-N 2.95Å; R742-N744 PolarHBondContact O-N 3.2Å; R742-N744 VanDerWaalsContact O-N 3.12Å
743L30.9Very low43.6Very low165 Ų165152.8 Ų152.886%0.86480%0.795SS**  trans-71.492.1156.8-75.6160.4000104.2A741A741-L743 PolarHBondContact O-N 2.66Å
744N32.2Very low40.8Very low222 Ų222157.7 Ų157.7100%1.18781%0.808SS**  trans-71.10156.6-83.6-6.1000108.7R742R742-N744 PolarHBondContact O-N 3.2Å; R742-N744 VanDerWaalsContact O-N 3.12Å

Retrieved 744 of 744 residues in 162.1 ms (Link to these results)

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