A0A061IKA8_CRIGR Loading...

RNA polymerase II-associated protein 3

Forms an interface between the RNA polymerase II enzyme and chaperone/scaffolding protein, suggesting that it is required to connect RNA polymerase II to regulators of protein complex formation.

AlphaFold DB , UniProt , Accession A0A061IKA8, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Rpap3, Length 661 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
1M46.2Very low68.2Low242 Ų242118 Ų118100%1.19264%0.641SS**  0148.70-62.8179.9-176.900108.5
2T46.6Very low69.8Low91 Ų91116.2 Ų116.256%0.55863%0.629SS**  trans-91157.6-160.145.70000114.2T4 S5T2-T4 WeakPolarHBondContact CB-OG1 3.44Å; T2-T4 PolarHBondContact O-N 2.85Å; T2-T4 VanDerWaalsContact O-N 3.17Å; T2-T4 PolarHBondContact OG1-OG1 2.87Å; T2-S5 PolarHBondContact O-N 3.49Å; T2-S5 VanDerWaalsContact O-N 3.12Å
3S55.3Low70.8Confident104 Ų104115.2 Ų115.273%0.72762%0.618SS**Hα-helixtrans-58.9-26.5178.3-177.30000113.4S5 K6 A7S3-S5 VanDerWaalsContact C-N 3.34Å; S3-S5 PolarHBondContact O-N 2.88Å; S3-K6 PolarHBondContact O-N 3.35Å; S3-A7 PolarHBondContact O-N 3.03Å
4T59.9Low71.9Confident91 Ų91113.5 Ų113.556%0.55861%0.613SS**Hα-helixtrans-57.5-39.8173.746.60000113.4T2 K6 A7 I8T2-T4 WeakPolarHBondContact CB-OG1 3.44Å; T2-T4 PolarHBondContact O-N 2.85Å; T2-T4 VanDerWaalsContact O-N 3.17Å; T2-T4 PolarHBondContact OG1-OG1 2.87Å; T4-K6 PolarHBondContact O-N 3.13Å; T4-A7 PolarHBondContact O-N 3.43Å; T4-I8 WeakPolarHBondContact O-CG1 3.46Å; T4-I8 PolarHBondContact O-N 3.14Å; T4-I8 VanDerWaalsContact O-N 3.15Å
5S64.4Low72.9Confident61 Ų61113.4 Ų113.443%0.42761%0.605SS.*Hα-helixtrans-63.3-42.2179.3-54.70000111.7T2 S3 A7 I8 E9T2-S5 PolarHBondContact O-N 3.49Å; T2-S5 VanDerWaalsContact O-N 3.12Å; S3-S5 VanDerWaalsContact C-N 3.34Å; S3-S5 PolarHBondContact O-N 2.88Å; S5-A7 VanDerWaalsContact C-N 3.33Å; S5-A7 PolarHBondContact O-N 3.24Å; S5-I8 PolarHBondContact O-N 2.93Å; S5-E9 WeakPolarHBondContact O-CB 3.35Å; S5-E9 PolarHBondContact O-N 2.97Å
6K73.4Confident73.5Confident154 Ų154112.2 Ų112.267%0.6760%0.595SS**Hα-helixtrans-67.2-32.2177.6-67.9-169.5173.3-169.90112.9S3 T4 L10S3-K6 PolarHBondContact O-N 3.35Å; T4-K6 PolarHBondContact O-N 3.13Å; K6-L10 VanDerWaalsContact O-CB 3.32Å; K6-L10 WeakPolarHBondContact O-CB 3.47Å; K6-L10 PolarHBondContact O-N 3.46Å
7A77.2Confident74Confident58 Ų58110.6 Ų110.648%0.47959%0.587SS.*Hα-helixtrans-67.8-40.8174.900000111.7S3 T4 S5 Q11S3-A7 PolarHBondContact O-N 3.03Å; T4-A7 PolarHBondContact O-N 3.43Å; S5-A7 VanDerWaalsContact C-N 3.33Å; S5-A7 PolarHBondContact O-N 3.24Å; A7-Q11 WeakPolarHBondContact O-CB 3.39Å; A7-Q11 PolarHBondContact O-N 3.5Å
8I83.9Confident74.8Confident113 Ų113107.1 Ų107.158%0.57958%0.575SS**Hα-helixtrans-66.8-43.1175.9-65.2164.2000110.8T4 S5 Q11 L12T4-I8 WeakPolarHBondContact O-CG1 3.46Å; T4-I8 PolarHBondContact O-N 3.14Å; T4-I8 VanDerWaalsContact O-N 3.15Å; S5-I8 PolarHBondContact O-N 2.93Å; I8-Q11 PolarHBondContact O-N 2.93Å; I8-L12 WeakPolarHBondContact O-CB 3.32Å; I8-L12 PolarHBondContact O-N 3.46Å
9E79.5Confident75.6Confident131 Ų131106 Ų10661%0.61257%0.566SS**Hα-helixtrans-60.3-46.7175.9-174.9173.4-147.400111.7S5 Q11 L12 Q13S5-E9 WeakPolarHBondContact O-CB 3.35Å; S5-E9 PolarHBondContact O-N 2.97Å; E9-Q11 PolarHBondContact O-N 3.27Å; E9-L12 PolarHBondContact O-N 3.46Å; E9-Q13 WeakPolarHBondContact O-CB 3.33Å; E9-Q13 PolarHBondContact O-N 3.15Å
10L82Confident76.1Confident108 Ų108107.3 Ų107.357%0.56557%0.569SS**Hα-helixtrans-63.2-39.8174.9-166.876.8000112.1K6 Q13 V14K6-L10 VanDerWaalsContact O-CB 3.32Å; K6-L10 WeakPolarHBondContact O-CB 3.47Å; K6-L10 PolarHBondContact O-N 3.46Å; L10-Q13 PolarHBondContact O-N 3.3Å; L10-V14 VanDerWaalsContact O-CG2 3.32Å; L10-V14 WeakPolarHBondContact O-CG2 3.39Å; L10-V14 PolarHBondContact O-N 3.41Å
11Q81.6Confident76.5Confident145 Ų145107.1 Ų107.168%0.67857%0.568SS**Hα-helixtrans-66.8-38.2177.5-172.8176.49.600112.2A7 I8 E9 K15A7-Q11 WeakPolarHBondContact O-CB 3.39Å; A7-Q11 PolarHBondContact O-N 3.5Å; I8-Q11 PolarHBondContact O-N 2.93Å; E9-Q11 PolarHBondContact O-N 3.27Å; Q11-K15 PolarHBondContact O-N 3.22Å; Q11-K15 VanDerWaalsContact O-N 3.12Å
12L87.3Confident78.5Confident96 Ų96101.9 Ų101.950%0.50354%0.54SS..Hα-helixtrans-64.9-45.6173.2179.466.1000111I8 E9 V14 K15 Q16I8-L12 WeakPolarHBondContact O-CB 3.32Å; I8-L12 PolarHBondContact O-N 3.46Å; E9-L12 PolarHBondContact O-N 3.46Å; L12-V14 PolarHBondContact O-N 3.12Å; L12-K15 WeakPolarHBondContact O-CB 3.49Å; L12-K15 PolarHBondContact O-N 2.89Å; L12-K15 VanDerWaalsContact O-N 3.13Å; L12-Q16 WeakPolarHBondContact O-CG 3.28Å; L12-Q16 PolarHBondContact O-N 2.57Å
13Q83.4Confident80.3Confident104 Ų104101.1 Ų101.149%0.48653%0.533SS..Hα-helixtrans-61.9-42.4177.6-169.6179.422.400112E9 L10 K15 Q16 N17E9-Q13 WeakPolarHBondContact O-CB 3.33Å; E9-Q13 PolarHBondContact O-N 3.15Å; L10-Q13 PolarHBondContact O-N 3.3Å; Q13-K15 VanDerWaalsContact C-N 3.27Å; Q13-K15 PolarHBondContact O-N 3.33Å; Q13-Q16 PolarHBondContact O-N 2.91Å; Q13-N17 WeakPolarHBondContact O-CB 3.4Å; Q13-N17 PolarHBondContact O-N 3.3Å; Q13-N17 PolarHBondContact O-OD1 3.17Å
14V86Confident81.9Confident91 Ų91102.6 Ų102.655%0.55253%0.526SS*.Hα-helixtrans-61.9-35.8174.8167.70000111.7L10 L12 A18L10-V14 VanDerWaalsContact O-CG2 3.32Å; L10-V14 WeakPolarHBondContact O-CG2 3.39Å; L10-V14 PolarHBondContact O-N 3.41Å; L12-V14 PolarHBondContact O-N 3.12Å; V14-A18 WeakPolarHBondContact O-CB 3.47Å; V14-A18 PolarHBondContact O-N 3.12Å
15K86.4Confident83.4Confident112 Ų112103.4 Ų103.449%0.48753%0.525SS..Hα-helixtrans-68.8-45.1174.9-174.4176.9175.4-69.40111.8Q11 L12 Q13 A18 E19Q11-K15 PolarHBondContact O-N 3.22Å; Q11-K15 VanDerWaalsContact O-N 3.12Å; L12-K15 WeakPolarHBondContact O-CB 3.49Å; L12-K15 PolarHBondContact O-N 2.89Å; L12-K15 VanDerWaalsContact O-N 3.13Å; Q13-K15 VanDerWaalsContact C-N 3.27Å; Q13-K15 PolarHBondContact O-N 3.33Å; K15-A18 WeakPolarHBondContact O-CB 3.33Å; K15-A18 PolarHBondContact O-N 3.28Å; K15-A18 VanDerWaalsContact O-N 3.16Å; K15-E19 WeakPolarHBondContact CE-OE1 3.4Å; K15-E19 IonicContact NZ-OE1 2.6Å; K15-E19 PolarHBondContact NZ-OE1 3.43Å; K15-E19 IonicContact NZ-OE2 2.57Å; K15-E19 PolarHBondContact NZ-OE2 2.95Å; K15-E19 WeakPolarHBondContact O-CG 3.43Å; K15-E19 PolarHBondContact O-N 3.34Å
16Q82.9Confident84.6Confident94 Ų94106.8 Ų106.844%0.43953%0.528SS..Hα-helixtrans-60.5-48.2176.6-71.8170.3-44.200111.5L12 Q13 A18 E19 E20L12-Q16 WeakPolarHBondContact O-CG 3.28Å; L12-Q16 PolarHBondContact O-N 2.57Å; Q13-Q16 PolarHBondContact O-N 2.91Å; Q16-A18 PolarHBondContact O-N 3.21Å; Q16-E19 PolarHBondContact O-N 3.18Å; Q16-E19 VanDerWaalsContact O-N 3.08Å; Q16-E20 WeakPolarHBondContact O-CG 3.23Å; Q16-E20 PolarHBondContact O-N 3.03Å
17N82.9Confident85.3Confident86 Ų86104.2 Ų104.246%0.4652%0.522SS..Hα-helixtrans-58.5-30.5175.5-64.8-1.2000112.9Q13 L21Q13-N17 WeakPolarHBondContact O-CB 3.4Å; Q13-N17 PolarHBondContact O-N 3.3Å; Q13-N17 PolarHBondContact O-OD1 3.17Å; N17-L21 WeakPolarHBondContact O-CB 3.42Å; N17-L21 PolarHBondContact O-N 3.02Å
18A88Confident85.8Confident46 Ų46105.7 Ų105.738%0.3852%0.521SS..Hα-helixtrans-78.4-34.8176.900000112.5V14 K15 Q16 Q22V14-A18 WeakPolarHBondContact O-CB 3.47Å; V14-A18 PolarHBondContact O-N 3.12Å; K15-A18 WeakPolarHBondContact O-CB 3.33Å; K15-A18 PolarHBondContact O-N 3.28Å; K15-A18 VanDerWaalsContact O-N 3.16Å; Q16-A18 PolarHBondContact O-N 3.21Å; A18-Q22 WeakPolarHBondContact O-CG 3.5Å; A18-Q22 PolarHBondContact O-N 3.16Å; A18-Q22 VanDerWaalsContact O-N 3.11Å
19E88.7Confident85.9Confident87 Ų87105.6 Ų105.641%0.40752%0.519SS..Hα-helixtrans-69.8-44.6174.4-70.7173.2151.200110.4K15 Q16 L21 Q22 D23K15-E19 WeakPolarHBondContact CE-OE1 3.4Å; K15-E19 IonicContact NZ-OE1 2.6Å; K15-E19 PolarHBondContact NZ-OE1 3.43Å; K15-E19 IonicContact NZ-OE2 2.57Å; K15-E19 PolarHBondContact NZ-OE2 2.95Å; K15-E19 WeakPolarHBondContact O-CG 3.43Å; K15-E19 PolarHBondContact O-N 3.34Å; Q16-E19 PolarHBondContact O-N 3.18Å; Q16-E19 VanDerWaalsContact O-N 3.08Å; E19-L21 VanDerWaalsContact C-N 3.3Å; E19-L21 PolarHBondContact O-N 3.2Å; E19-Q22 PolarHBondContact O-N 3.36Å; E19-Q22 VanDerWaalsContact O-N 3.14Å; E19-D23 PolarHBondContact O-N 2.97Å
20E86.2Confident86.4Confident131 Ų131105.1 Ų105.161%0.61252%0.516SS*.Hα-helixtrans-57.7-38.8171.7-71.9178.6-17300112.8Q16 D23 F24Q16-E20 WeakPolarHBondContact O-CG 3.23Å; Q16-E20 PolarHBondContact O-N 3.03Å; E20-D23 PolarHBondContact O-N 2.97Å; E20-F24 WeakPolarHBondContact O-CB 3.44Å; E20-F24 PolarHBondContact O-N 3.23Å
21L85.1Confident86.8Confident105 Ų105107.7 Ų107.755%0.5552%0.518SS..Hα-helixtrans-69.1-36.3176.7-179.361.3000112.5N17 E19 M25N17-L21 WeakPolarHBondContact O-CB 3.42Å; N17-L21 PolarHBondContact O-N 3.02Å; E19-L21 VanDerWaalsContact C-N 3.3Å; E19-L21 PolarHBondContact O-N 3.2Å; L21-M25 WeakPolarHBondContact O-CB 3.32Å; L21-M25 WeakPolarHBondContact O-CG 3.45Å; L21-M25 PolarHBondContact O-N 3.26Å
22Q88.3Confident87.2Confident131 Ų131105 Ų10561%0.61251%0.506SS*.Hα-helixtrans-69.6-39174.9-74.5179.43.400111.7A18 E19 M25 R26A18-Q22 WeakPolarHBondContact O-CG 3.5Å; A18-Q22 PolarHBondContact O-N 3.16Å; A18-Q22 VanDerWaalsContact O-N 3.11Å; E19-Q22 PolarHBondContact O-N 3.36Å; E19-Q22 VanDerWaalsContact O-N 3.14Å; Q22-M25 PolarHBondContact O-N 2.89Å; Q22-R26 WeakPolarHBondContact O-CB 3.32Å; Q22-R26 PolarHBondContact O-N 2.91Å
23D85.1Confident87.3Confident75 Ų75104.6 Ų104.640%0.40150%0.504SS..Hα-helixtrans-63-48.9173.7-77.40.7000111.1E19 E20 M25 R26 D27E19-D23 PolarHBondContact O-N 2.97Å; E20-D23 PolarHBondContact O-N 2.97Å; D23-M25 VanDerWaalsContact C-N 3.32Å; D23-M25 PolarHBondContact O-N 2.92Å; D23-R26 PolarHBondContact O-N 2.94Å; D23-R26 VanDerWaalsContact O-N 3.15Å; D23-R26 IonicContact OD1-CZ 2.91Å; D23-R26 IonicContact OD1-NH1 3.16Å; D23-R26 PolarHBondContact OD1-NH1 3.08Å; D23-R26 IonicContact OD1-NH2 3.67Å; D23-R26 PolarHBondContact OD1-NH2 2.99Å; D23-R26 IonicContact OD2-NH2 2.68Å; D23-D27 PolarHBondContact O-N 3.2Å
24F88Confident87.5Confident136 Ų136102.2 Ų102.260%0.59650%0.495SS*.Hα-helixtrans-59.1-39.7175.5-176.8-92.8000112.9E20 L28E20-F24 WeakPolarHBondContact O-CB 3.44Å; E20-F24 PolarHBondContact O-N 3.23Å; F24-L28 HydrophobicContact CE1-CD1 3.97Å; F24-L28 HydrophobicContact CZ-CD1 4.41Å; F24-L28 VanDerWaalsContact O-CB 3.31Å; F24-L28 WeakPolarHBondContact O-CB 3.39Å; F24-L28 PolarHBondContact O-N 3.47Å
25M91.3Very high87.4Confident108 Ų108101.7 Ų101.753%0.53249%0.488SS..Hα-helixtrans-64.7-43.1174.9-80.7-173.258.600112.3L21 Q22 D23 L28 E29L21-M25 WeakPolarHBondContact O-CB 3.32Å; L21-M25 WeakPolarHBondContact O-CG 3.45Å; L21-M25 PolarHBondContact O-N 3.26Å; Q22-M25 PolarHBondContact O-N 2.89Å; D23-M25 VanDerWaalsContact C-N 3.32Å; D23-M25 PolarHBondContact O-N 2.92Å; M25-L28 PolarHBondContact O-N 3.47Å; M25-E29 PolarHBondContact O-N 3.4Å
26R89.7Confident87.4Confident131 Ų131100.6 Ų100.649%0.49448%0.483SS..Hα-helixtrans-65.9-40.6179.2-177.2-17762.1-112.3-1.6112.1Q22 D23 L28 E29 H30Q22-R26 WeakPolarHBondContact O-CB 3.32Å; Q22-R26 PolarHBondContact O-N 2.91Å; D23-R26 PolarHBondContact O-N 2.94Å; D23-R26 VanDerWaalsContact O-N 3.15Å; D23-R26 IonicContact OD1-CZ 2.91Å; D23-R26 IonicContact OD1-NH1 3.16Å; D23-R26 PolarHBondContact OD1-NH1 3.08Å; D23-R26 IonicContact OD1-NH2 3.67Å; D23-R26 PolarHBondContact OD1-NH2 2.99Å; D23-R26 IonicContact OD2-NH2 2.68Å; R26-L28 VanDerWaalsContact C-N 3.31Å; R26-L28 PolarHBondContact O-N 3.29Å; R26-E29 PolarHBondContact O-N 3.38Å; R26-H30 PolarHBondContact O-N 2.94Å
27D87.1Confident87.6Confident101 Ų101102.2 Ų102.254%0.5449%0.491SS..Hα-helixtrans-66.9-34.8176.3-72.83.5000111.3D23 H30 W31D23-D27 PolarHBondContact O-N 3.2Å; D27-H30 PolarHBondContact O-N 3.09Å; D27-W31 WeakPolarHBondContact O-CB 3.49Å; D27-W31 PolarHBondContact O-N 3.11Å
28L87.7Confident87.4Confident88 Ų88103.4 Ų103.446%0.46149%0.492SS..Hα-helixtrans-68.5-40.2173.7-167.8154000112F24 M25 R26 W31 E32F24-L28 HydrophobicContact CE1-CD1 3.97Å; F24-L28 HydrophobicContact CZ-CD1 4.41Å; F24-L28 VanDerWaalsContact O-CB 3.31Å; F24-L28 WeakPolarHBondContact O-CB 3.39Å; F24-L28 PolarHBondContact O-N 3.47Å; M25-L28 PolarHBondContact O-N 3.47Å; R26-L28 VanDerWaalsContact C-N 3.31Å; R26-L28 PolarHBondContact O-N 3.29Å; L28-W31 PolarHBondContact O-N 2.9Å; L28-E32 WeakPolarHBondContact O-CB 3.48Å; L28-E32 PolarHBondContact O-N 3.16Å
29E87.7Confident86.8Confident112 Ų112104.6 Ų104.652%0.52349%0.492SS..Hα-helixtrans-64.7-40.6171.7-74.2-178.3179.700112M25 R26 E32 N33M25-E29 PolarHBondContact O-N 3.4Å; R26-E29 PolarHBondContact O-N 3.38Å; E29-E32 PolarHBondContact O-N 3.13Å; E29-N33 PolarHBondContact O-N 3.16Å; E29-N33 VanDerWaalsContact O-N 3.07Å; E29-N33 PolarHBondContact O-ND2 2.9Å
30H89.7Confident86.4Confident121 Ų121106 Ų10656%0.5650%0.5SS*.Hα-helixtrans-60.6-47.7173.5-169.5-64.2000110.8R26 D27 E32 N33 D34R26-H30 PolarHBondContact O-N 2.94Å; D27-H30 PolarHBondContact O-N 3.09Å; H30-E32 PolarHBondContact O-N 3.31Å; H30-N33 PolarHBondContact O-N 2.82Å; H30-D34 IonicContact CE1-OD2 2.67Å; H30-D34 PolarHBondContact CE1-OD2 3.21Å; H30-D34 IonicContact ND1-OD2 3.48Å; H30-D34 PolarHBondContact ND1-OD2 2.89Å; H30-D34 WeakPolarHBondContact O-CB 3.46Å; H30-D34 PolarHBondContact O-N 3.15Å
31W89.4Confident86.2Confident162 Ų162102.8 Ų102.861%0.61449%0.485SS*.Hα-helixtrans-61.2-42177.4-17986.9000112.4D27 L28 N33 D34 I35D27-W31 WeakPolarHBondContact O-CB 3.49Å; D27-W31 PolarHBondContact O-N 3.11Å; L28-W31 PolarHBondContact O-N 2.9Å; W31-N33 VanDerWaalsContact C-N 3.31Å; W31-N33 PolarHBondContact O-N 3.21Å; W31-D34 WeakPolarHBondContact O-CB 3.42Å; W31-D34 PolarHBondContact O-N 3.42Å; W31-I35 HydrophobicContact CD2-CG1 3.95Å; W31-I35 HydrophobicContact CE3-CG1 4.3Å; W31-I35 HydrophobicContact CH2-CG1 4.1Å; W31-I35 HydrophobicContact CZ2-CD1 4.01Å; W31-I35 HydrophobicContact CZ2-CG1 3.73Å; W31-I35 HydrophobicContact CZ3-CG1 4.37Å; W31-I35 WeakPolarHBondContact O-CB 3.42Å; W31-I35 VanDerWaalsContact O-CG1 3.29Å; W31-I35 WeakPolarHBondContact O-CG1 3.42Å; W31-I35 PolarHBondContact O-N 2.99Å
32E90.6Very high85.8Confident89 Ų89102.9 Ų102.942%0.41649%0.485SS..Hα-helixtrans-61.3-41.1176.6-161.6-164.3167.900111.4L28 E29 H30 K36L28-E32 WeakPolarHBondContact O-CB 3.48Å; L28-E32 PolarHBondContact O-N 3.16Å; E29-E32 PolarHBondContact O-N 3.13Å; H30-E32 PolarHBondContact O-N 3.31Å; E32-K36 HydrophobicContact CG-CD 4.5Å; E32-K36 VanDerWaalsContact O-CG 3.27Å; E32-K36 WeakPolarHBondContact O-CG 3.48Å; E32-K36 PolarHBondContact O-N 3.14Å; E32-K36 WeakPolarHBondContact OE1-CE 3.44Å; E32-K36 IonicContact OE1-NZ 2.91Å; E32-K36 PolarHBondContact OE1-NZ 3.15Å; E32-K36 IonicContact OE2-NZ 2.58Å; E32-K36 PolarHBondContact OE2-NZ 2.93Å
33N89.1Confident84.8Confident86 Ų8699.8 Ų99.846%0.4647%0.468SS..Hα-helixtrans-69-40.6176.6-70.5-43.8000112.3E29 H30 W31 I35 K36 Q37E29-N33 PolarHBondContact O-N 3.16Å; E29-N33 VanDerWaalsContact O-N 3.07Å; E29-N33 PolarHBondContact O-ND2 2.9Å; H30-N33 PolarHBondContact O-N 2.82Å; W31-N33 VanDerWaalsContact C-N 3.31Å; W31-N33 PolarHBondContact O-N 3.21Å; N33-I35 VanDerWaalsContact C-N 3.33Å; N33-I35 PolarHBondContact O-N 3.18Å; N33-K36 PolarHBondContact O-N 3.33Å; N33-Q37 WeakPolarHBondContact O-CG 3.46Å; N33-Q37 PolarHBondContact O-N 2.87Å
34D88.4Confident84.2Confident55 Ų55105.2 Ų105.229%0.29448%0.483SS..Hα-helixtrans-59.8-40.4174.5-112.3-37.8000112.8H30 W31 K38H30-D34 IonicContact CE1-OD2 2.67Å; H30-D34 PolarHBondContact CE1-OD2 3.21Å; H30-D34 IonicContact ND1-OD2 3.48Å; H30-D34 PolarHBondContact ND1-OD2 2.89Å; H30-D34 WeakPolarHBondContact O-CB 3.46Å; H30-D34 PolarHBondContact O-N 3.15Å; W31-D34 WeakPolarHBondContact O-CB 3.42Å; W31-D34 PolarHBondContact O-N 3.42Å; D34-K38 WeakPolarHBondContact O-CG 3.39Å; D34-K38 PolarHBondContact O-N 2.93Å; D34-K38 VanDerWaalsContact O-N 3.12Å; D34-K38 PolarHBondContact O-NZ 3.27Å; D34-K38 IonicContact OD1-NZ 3.17Å; D34-K38 PolarHBondContact OD1-NZ 3.19Å
35I84.1Confident83.4Confident80 Ų80105.2 Ų105.241%0.4149%0.485SS..Hα-helixtrans-70-44.2176.3-68.7-66.2000110.5W31 N33 Q37 K38 D39W31-I35 HydrophobicContact CD2-CG1 3.95Å; W31-I35 HydrophobicContact CE3-CG1 4.3Å; W31-I35 HydrophobicContact CH2-CG1 4.1Å; W31-I35 HydrophobicContact CZ2-CD1 4.01Å; W31-I35 HydrophobicContact CZ2-CG1 3.73Å; W31-I35 HydrophobicContact CZ3-CG1 4.37Å; W31-I35 WeakPolarHBondContact O-CB 3.42Å; W31-I35 VanDerWaalsContact O-CG1 3.29Å; W31-I35 WeakPolarHBondContact O-CG1 3.42Å; W31-I35 PolarHBondContact O-N 2.99Å; N33-I35 VanDerWaalsContact C-N 3.33Å; N33-I35 PolarHBondContact O-N 3.18Å; I35-Q37 VanDerWaalsContact C-N 3.34Å; I35-Q37 PolarHBondContact O-N 3.01Å; I35-K38 PolarHBondContact O-N 3.48Å; I35-D39 WeakPolarHBondContact O-CB 3.43Å; I35-D39 PolarHBondContact O-N 2.92Å
36K85.9Confident82.1Confident89 Ų89104.2 Ų104.239%0.38749%0.488SS..Hα-helixtrans-60-41.4174.5-73.8166.1-175.4162.40112.2E32 N33 D39 M40E32-K36 HydrophobicContact CG-CD 4.5Å; E32-K36 VanDerWaalsContact O-CG 3.27Å; E32-K36 WeakPolarHBondContact O-CG 3.48Å; E32-K36 PolarHBondContact O-N 3.14Å; E32-K36 WeakPolarHBondContact OE1-CE 3.44Å; E32-K36 IonicContact OE1-NZ 2.91Å; E32-K36 PolarHBondContact OE1-NZ 3.15Å; E32-K36 IonicContact OE2-NZ 2.58Å; E32-K36 PolarHBondContact OE2-NZ 2.93Å; N33-K36 PolarHBondContact O-N 3.33Å; K36-D39 PolarHBondContact O-N 2.92Å; K36-M40 HydrophobicContact CB-CE 4.41Å; K36-M40 WeakPolarHBondContact O-CB 3.38Å; K36-M40 WeakPolarHBondContact O-CE 3.39Å; K36-M40 WeakPolarHBondContact O-CG 3.47Å; K36-M40 PolarHBondContact O-N 2.68Å
37Q86Confident80.8Confident128 Ų128101.1 Ų101.160%0.59850%0.497SS*.Hα-helixtrans-64.2-44.1175.9-75.6-171.1700112.2N33 I35 M40 E41N33-Q37 WeakPolarHBondContact O-CG 3.46Å; N33-Q37 PolarHBondContact O-N 2.87Å; I35-Q37 VanDerWaalsContact C-N 3.34Å; I35-Q37 PolarHBondContact O-N 3.01Å; Q37-M40 PolarHBondContact O-N 2.76Å; Q37-E41 WeakPolarHBondContact O-CB 3.38Å; Q37-E41 PolarHBondContact O-N 3.35Å
38K80Confident79.3Confident111 Ų111100.4 Ų100.448%0.48350%0.496SS..Hα-helixtrans-66.2-39177.3-70.6174.7-169.470.90112.1D34 I35 E41 L42D34-K38 WeakPolarHBondContact O-CG 3.39Å; D34-K38 PolarHBondContact O-N 2.93Å; D34-K38 VanDerWaalsContact O-N 3.12Å; D34-K38 PolarHBondContact O-NZ 3.27Å; D34-K38 IonicContact OD1-NZ 3.17Å; D34-K38 PolarHBondContact OD1-NZ 3.19Å; I35-K38 PolarHBondContact O-N 3.48Å; K38-E41 PolarHBondContact O-N 3.1Å; K38-L42 WeakPolarHBondContact O-CB 3.37Å; K38-L42 VanDerWaalsContact O-CG 3.24Å; K38-L42 WeakPolarHBondContact O-CG 3.48Å; K38-L42 PolarHBondContact O-N 3.28Å
39D75.4Confident77.8Confident71 Ų71100.8 Ų100.838%0.3850%0.504SS..Hα-helixtrans-66-42.7175.1-170.953.5000111.9I35 K36 E41 L42 R43I35-D39 WeakPolarHBondContact O-CB 3.43Å; I35-D39 PolarHBondContact O-N 2.92Å; K36-D39 PolarHBondContact O-N 2.92Å; D39-E41 PolarHBondContact O-N 3.33Å; D39-L42 PolarHBondContact O-N 3.06Å; D39-R43 WeakPolarHBondContact O-CB 3.31Å; D39-R43 WeakPolarHBondContact O-CD 3.36Å; D39-R43 WeakPolarHBondContact O-CG 3.49Å; D39-R43 PolarHBondContact O-N 2.58Å; D39-R43 IonicContact OD1-CZ 3.48Å; D39-R43 IonicContact OD1-NE 2.68Å; D39-R43 IonicContact OD1-NH2 2.6Å; D39-R43 IonicContact OD2-CZ 2.87Å; D39-R43 IonicContact OD2-NE 2.7Å; D39-R43 PolarHBondContact OD2-NE 3.48Å; D39-R43 IonicContact OD2-NH2 2.64Å; D39-R43 PolarHBondContact OD2-NH2 2.67Å
40M80.1Confident76.1Confident115 Ų115103.1 Ų103.157%0.56752%0.515SS*.Hα-helixtrans-61.8-41.6172.7-77.8-173-7400112.8K36 Q37 R43 R44K36-M40 HydrophobicContact CB-CE 4.41Å; K36-M40 WeakPolarHBondContact O-CB 3.38Å; K36-M40 WeakPolarHBondContact O-CE 3.39Å; K36-M40 WeakPolarHBondContact O-CG 3.47Å; K36-M40 PolarHBondContact O-N 2.68Å; Q37-M40 PolarHBondContact O-N 2.76Å; M40-R43 PolarHBondContact O-N 2.91Å; M40-R44 WeakPolarHBondContact O-CB 3.43Å; M40-R44 PolarHBondContact O-N 3.32Å
41E82.4Confident74.4Confident64 Ų64106 Ų10630%0.29953%0.529SS..Hα-helixtrans-67.4-41.8178.3-17954.8-15700112Q37 K38 D39 R43 R44 Q45Q37-E41 WeakPolarHBondContact O-CB 3.38Å; Q37-E41 PolarHBondContact O-N 3.35Å; K38-E41 PolarHBondContact O-N 3.1Å; D39-E41 PolarHBondContact O-N 3.33Å; E41-R43 VanDerWaalsContact C-N 3.35Å; E41-R43 PolarHBondContact O-N 3.31Å; E41-R44 WeakPolarHBondContact O-CB 3.44Å; E41-R44 PolarHBondContact O-N 3.44Å; E41-R44 IonicContact OE1-CZ 3.72Å; E41-R44 IonicContact OE1-NE 2.6Å; E41-R44 IonicContact OE1-NH2 2.69Å; E41-R44 PolarHBondContact OE1-NH2 3.08Å; E41-R44 IonicContact OE2-CZ 3.92Å; E41-R44 IonicContact OE2-NE 3.21Å; E41-R44 PolarHBondContact OE2-NE 2.88Å; E41-R44 IonicContact OE2-NH2 3.59Å; E41-R44 PolarHBondContact OE2-NH2 3.3Å; E41-Q45 WeakPolarHBondContact O-CG 3.45Å; E41-Q45 PolarHBondContact O-N 3.4Å; E41-Q45 PolarHBondContact OE1-NE2 3.17Å
42L74.9Confident72.8Confident108 Ų108104.9 Ų104.957%0.56554%0.535SS*.Hα-helixtrans-63.5-39.1174.1-71.3168.1000111.9K38 D39 Q45 S46K38-L42 WeakPolarHBondContact O-CB 3.37Å; K38-L42 VanDerWaalsContact O-CG 3.24Å; K38-L42 WeakPolarHBondContact O-CG 3.48Å; K38-L42 PolarHBondContact O-N 3.28Å; D39-L42 PolarHBondContact O-N 3.06Å; L42-Q45 PolarHBondContact O-N 2.92Å; L42-S46 VanDerWaalsContact O-CB 3.28Å; L42-S46 WeakPolarHBondContact O-CB 3.28Å; L42-S46 PolarHBondContact O-N 3.07Å
43R67.7Low71Confident66 Ų66106 Ų10625%0.24954%0.543CS..Hα-helixtrans-63.3-42.7172.1-71.2165.3-167.9-88.8-2.4112D39 M40 E41 Q45 S46 G47 L53D39-R43 WeakPolarHBondContact O-CB 3.31Å; D39-R43 WeakPolarHBondContact O-CD 3.36Å; D39-R43 WeakPolarHBondContact O-CG 3.49Å; D39-R43 PolarHBondContact O-N 2.58Å; D39-R43 IonicContact OD1-CZ 3.48Å; D39-R43 IonicContact OD1-NE 2.68Å; D39-R43 IonicContact OD1-NH2 2.6Å; D39-R43 IonicContact OD2-CZ 2.87Å; D39-R43 IonicContact OD2-NE 2.7Å; D39-R43 PolarHBondContact OD2-NE 3.48Å; D39-R43 IonicContact OD2-NH2 2.64Å; D39-R43 PolarHBondContact OD2-NH2 2.67Å; M40-R43 PolarHBondContact O-N 2.91Å; E41-R43 VanDerWaalsContact C-N 3.35Å; E41-R43 PolarHBondContact O-N 3.31Å; R43-Q45 VanDerWaalsContact C-N 3.27Å; R43-Q45 PolarHBondContact O-N 2.93Å; R43-S46 PolarHBondContact O-N 3.35Å; R43-S46 VanDerWaalsContact O-N 3.14Å; R43-G47 PolarHBondContact O-N 3.06Å; R43-L53 VanDerWaalsContact NH2-CD1 3.26Å
44R73.8Confident69.1Low188 Ų188107.1 Ų107.171%0.70956%0.555SS**Hα-helixtrans-59.8-38176.5-170.2175.373124.95.3111.8M40 E41M40-R44 WeakPolarHBondContact O-CB 3.43Å; M40-R44 PolarHBondContact O-N 3.32Å; E41-R44 WeakPolarHBondContact O-CB 3.44Å; E41-R44 PolarHBondContact O-N 3.44Å; E41-R44 IonicContact OE1-CZ 3.72Å; E41-R44 IonicContact OE1-NE 2.6Å; E41-R44 IonicContact OE1-NH2 2.69Å; E41-R44 PolarHBondContact OE1-NH2 3.08Å; E41-R44 IonicContact OE2-CZ 3.92Å; E41-R44 IonicContact OE2-NE 3.21Å; E41-R44 PolarHBondContact OE2-NE 2.88Å; E41-R44 IonicContact OE2-NH2 3.59Å; E41-R44 PolarHBondContact OE2-NH2 3.3Å
45Q71.1Confident67.3Low137 Ų137109.8 Ų109.864%0.6458%0.575SS**Hα-helixtrans-77-27.9175.5-66.8175.419.600113.4E41 L42 R43E41-Q45 WeakPolarHBondContact O-CG 3.45Å; E41-Q45 PolarHBondContact O-N 3.4Å; E41-Q45 PolarHBondContact OE1-NE2 3.17Å; L42-Q45 PolarHBondContact O-N 2.92Å; R43-Q45 VanDerWaalsContact C-N 3.27Å; R43-Q45 PolarHBondContact O-N 2.93Å
46S63.3Low65.6Low87 Ų87113.6 Ų113.661%0.60860%0.595SS**Hα-helixtrans-97.5-11.5-176.2-165.80000115.2L42 R43 V48L42-S46 VanDerWaalsContact O-CB 3.28Å; L42-S46 WeakPolarHBondContact O-CB 3.28Å; L42-S46 PolarHBondContact O-N 3.07Å; R43-S46 PolarHBondContact O-N 3.35Å; R43-S46 VanDerWaalsContact O-N 3.14Å; S46-V48 PolarHBondContact O-N 3.34Å
47G62.3Low63.7Low65 Ų65120.7 Ų120.767%0.6762%0.619SS**THydrogen-bonded Turntrans72.920.4170.600000116.5R43R43-G47 PolarHBondContact O-N 3.06Å
48V55.1Low61.7Low87 Ų87121.4 Ų121.453%0.52763%0.627SS.*  trans-99.3120.3-174.6-175.40000111.6S46S46-V48 PolarHBondContact O-N 3.34Å
49P55.9Low59.9Low96 Ų96119.4 Ų119.462%0.62364%0.638SS**  trans-64.4153.1175.1-23.334.9000114.1E51P49-E51 PolarHBondContact O-N 2.89Å
50E53.7Low58.2Low161 Ų161121.8 Ų121.875%0.75265%0.651SS**THydrogen-bonded Turntrans-72.3-23.5-163.6-163.8169.5-156.800115.4N52E50-N52 VanDerWaalsContact C-N 3.26Å; E50-N52 PolarHBondContact O-N 3.41Å; E50-N52 VanDerWaalsContact O-N 3.1Å
51E53.9Low56.4Low182 Ų182126 Ų12685%0.8567%0.666SS**THydrogen-bonded Turntrans-67.3-14.3-167.5-60.6-172.8131.100115.9P49P49-E51 PolarHBondContact O-N 2.89Å
52N54.4Low54.3Low138 Ų138134 Ų13474%0.73869%0.693SS**  trans-111.950.7-168.2-75.2-76.8000114.5E50E50-N52 VanDerWaalsContact C-N 3.26Å; E50-N52 PolarHBondContact O-N 3.41Å; E50-N52 VanDerWaalsContact O-N 3.1Å
53L53Low52.8Low112 Ų112137.9 Ų137.959%0.58671%0.706SS**  trans-129.2139.4167.5-70175.6000112.5R43R43-L53 VanDerWaalsContact NH2-CD1 3.26Å
54P49.7Very low51.1Low110 Ų110143.6 Ų143.671%0.71473%0.732SS**PPolyproline II helixtrans-70.6146.9174.330-34.2000111.2I56P54-I56 PolarHBondContact O-N 3.5Å
55P51.1Low49.2Very low111 Ų111144.9 Ų144.972%0.72174%0.743SS**PPolyproline II helixtrans-61.4135.8-174.9-24.934.5000114R57P55-R57 PolarHBondContact O-N 2.9Å
56I47.2Very low47.3Very low160 Ų160147.3 Ų147.382%0.82175%0.752SS**PPolyproline II helixtrans-60.7121.2177.2-60.5176.6000110P54 N58P54-I56 PolarHBondContact O-N 3.5Å; I56-N58 VanDerWaalsContact C-N 3.29Å; I56-N58 PolarHBondContact O-N 3.41Å
57R46.8Very low45.6Very low238 Ų238146.8 Ų146.890%0.89876%0.76SS**THydrogen-bonded Turntrans-77.167-168.3-169.4-176.7177.1170.1-0.1112.8P55P55-R57 PolarHBondContact O-N 2.9Å
58N43.2Very low44Very low143 Ų143152.8 Ų152.877%0.76577%0.767SS**THydrogen-bonded Turntrans-160.6-20.9156-105-15.5000116.1I56 N60I56-N58 VanDerWaalsContact C-N 3.29Å; I56-N58 PolarHBondContact O-N 3.41Å; N58-N60 VanDerWaalsContact C-N 3.25Å; N58-N60 PolarHBondContact O-N 3.24Å; N58-N60 VanDerWaalsContact O-N 3.1Å
59G41.9Very low42.7Very low69 Ų69153.9 Ų153.971%0.71179%0.786SS**G310 helixtrans-64.2-19.7-172.900000116.6
60N41.6Very low41.5Very low121 Ų121157.2 Ų157.265%0.64779%0.791SS**G310 helixtrans-93.9-5-164.9-75.7-33.6000116.4N58 R62N58-N60 VanDerWaalsContact C-N 3.25Å; N58-N60 PolarHBondContact O-N 3.24Å; N58-N60 VanDerWaalsContact O-N 3.1Å; N60-R62 VanDerWaalsContact C-N 3.29Å; N60-R62 PolarHBondContact O-N 2.87Å
61F40.7Very low40.4Very low203 Ų203157.5 Ų157.589%0.8980%0.797SS**G310 helixtrans-76.7-7.4-177.3-101.2-82.7000115.2
62R39.8Very low39.2Very low232 Ų232152.2 Ų152.288%0.87578%0.78SS**G310 helixtrans-126.641.2177.9-86.9-171.1167-171.3-2.7114.7N60N60-R62 VanDerWaalsContact C-N 3.29Å; N60-R62 PolarHBondContact O-N 2.87Å
63K42.8Very low38Very low190 Ų190149.4 Ų149.483%0.82677%0.771SS**  trans-170.990.7157.6-104.1150.9-172.4177.90112.9
64K31.4Very low37.2Very low185 Ų185153.6 Ų153.680%0.80479%0.785SS**  trans-158.860.9157.4-121.3161.1-168.7169.70116K66K64-K66 PolarHBondContact O-N 3.17Å
65K34.3Very low36.6Very low216 Ų216156.7 Ų156.794%0.93979%0.787SS**  trans-63111.4151.8-161.1170.7-173176.40106.3G67K65-G67 PolarHBondContact O-N 3.21Å
66K30.8Very low36.1Very low188 Ų188155.3 Ų155.382%0.81778%0.777SS**  trans-68.9102.1-166.5-84178.7177.5167.90112.5K64K64-K66 PolarHBondContact O-N 3.17Å
67G27.3Very low35.7Very low76 Ų76155.6 Ų155.678%0.78477%0.772SS**  trans-79.2113149.500000109.3K65K65-G67 PolarHBondContact O-N 3.21Å
68K29.9Very low35.3Very low190 Ų190150.6 Ų150.683%0.82676%0.759SS**  trans-79.4115.4167.2-81.1-176.7175.41780108.5
69A27.6Very low35.3Very low111 Ų111149.2 Ų149.292%0.91775%0.748SS**  trans-69.5126.6153.300000107.5
70K29.5Very low35.6Very low165 Ų165151.7 Ų151.772%0.71775%0.745SS**  trans-125.6116.5174.7177.4-177.5176.9-179.80107S72K70-S72 WeakPolarHBondContact CE-OG 3.46Å
71D31.1Very low36.1Very low168 Ų168150.7 Ų150.790%0.89874%0.743SS**  trans-97.8106.3167.2-161.8-1.8000108.5
72S29.1Very low36.7Very low70 Ų70148.3 Ų148.349%0.4973%0.733SS.*SBendtrans165.9137.3171.132.30000110.9K70K70-S72 WeakPolarHBondContact CE-OG 3.46Å
73S29.7Very low37.6Very low79 Ų79143.8 Ų143.855%0.55273%0.726SS**  trans57.4111.5178.6-170.70000116.6T76S73-T76 PolarHBondContact OG-OG1 2.96Å
74K36.4Very low38.9Very low201 Ų201143.9 Ų143.987%0.87472%0.721SS**SBendtrans-98.41.3170.1-146.3178.5-176.5-177.40113.5
75K37.3Very low41Very low174 Ų174137.6 Ų137.676%0.75770%0.695SS**SBendtrans-90.1-53.7-177.4-85.8-169.3168.5-170.50113.7K77 E78K75-K77 PolarHBondContact O-N 3.46Å; K75-E78 PolarHBondContact O-N 2.6Å
76T39.8Very low43.2Very low82 Ų82132.8 Ų132.850%0.50368%0.675SS.*THydrogen-bonded Turntrans-7010.8-17149.90000115.8S73 N80S73-T76 PolarHBondContact OG-OG1 2.96Å; T76-N80 PolarHBondContact O-ND2 3.27Å
77K38.1Very low44.9Very low167 Ų167128.3 Ų128.373%0.72667%0.667SS**THydrogen-bonded Turntrans-102.1-16.7179.6-139.9176.7-174.3-177.50113.5K75 T81K75-K77 PolarHBondContact O-N 3.46Å; K77-T81 WeakPolarHBondContact O-CG2 3.09Å; K77-T81 PolarHBondContact O-OG1 3.16Å
78E38.6Very low47.2Very low132 Ų132132.5 Ų132.562%0.61766%0.66SS**THydrogen-bonded Turntrans-92.8-16.9176.7-66.3-170.4162.300113.5K75 T81 K82K75-E78 PolarHBondContact O-N 2.6Å; E78-T81 WeakPolarHBondContact CA-OG1 3.46Å; E78-T81 PolarHBondContact O-OG1 2.65Å; E78-K82 VanDerWaalsContact O-CD 3.28Å; E78-K82 WeakPolarHBondContact O-CD 3.38Å; E78-K82 VanDerWaalsContact O-CE 3.23Å; E78-K82 WeakPolarHBondContact O-CE 3.45Å; E78-K82 WeakPolarHBondContact O-CG 3.46Å
79E43.7Very low49.7Very low115 Ų115127 Ų12754%0.53764%0.64SS.*THydrogen-bonded Turntrans-84.6-49.9173.5-71.7149.9158.200110.5T81 K82 N83E79-T81 PolarHBondContact O-N 3Å; E79-K82 WeakPolarHBondContact O-CB 3.44Å; E79-K82 PolarHBondContact O-N 3.2Å; E79-N83 PolarHBondContact O-N 3.04Å
80N47.5Very low51.9Low120 Ų120130 Ų13064%0.64263%0.629SS**THydrogen-bonded Turntrans-62.9-6.5174.6-85.2-49.1000115.4T76T76-N80 PolarHBondContact O-ND2 3.27Å
81T51.9Low54.2Low100 Ų100127.8 Ų127.861%0.61363%0.625SS**THydrogen-bonded Turntrans-99.7-14170.643.70000113.6K77 E78 E79K77-T81 WeakPolarHBondContact O-CG2 3.09Å; K77-T81 PolarHBondContact O-OG1 3.16Å; E78-T81 WeakPolarHBondContact CA-OG1 3.46Å; E78-T81 PolarHBondContact O-OG1 2.65Å; E79-T81 PolarHBondContact O-N 3Å
82K53.5Low56.4Low154 Ų154121.1 Ų121.167%0.6759%0.593SS**THydrogen-bonded Turntrans-85.5-42.8173.5-68.6165.8-171166.70111.8E78 E79 R84E78-K82 VanDerWaalsContact O-CD 3.28Å; E78-K82 WeakPolarHBondContact O-CD 3.38Å; E78-K82 VanDerWaalsContact O-CE 3.23Å; E78-K82 WeakPolarHBondContact O-CE 3.45Å; E78-K82 WeakPolarHBondContact O-CG 3.46Å; E79-K82 WeakPolarHBondContact O-CB 3.44Å; E79-K82 PolarHBondContact O-N 3.2Å; K82-R84 PolarHBondContact O-N 3.25Å
83N60.2Low58.7Low136 Ų136123.9 Ų123.973%0.72759%0.592SS**SBendtrans-78.40.6-175.9-64.514.5000113.8E79 I85E79-N83 PolarHBondContact O-N 3.04Å; N83-I85 PolarHBondContact O-N 3.13Å
84R69.4Low60.9Low193 Ų193124.1 Ų124.173%0.72860%0.599SS**  trans-86.792.4-176-163.1-173.575.5161.74.1112.1K82K82-R84 PolarHBondContact O-N 3.25Å
85I76.3Confident63Low52 Ų52122.1 Ų122.127%0.26759%0.591SS.*  trans-51.4138.5170-57.2-179.8000110.1N83 A92 W93 L96N83-I85 PolarHBondContact O-N 3.13Å; I85-A92 HydrophobicContact CD1-CB 4.37Å; I85-A92 HydrophobicContact CG2-CB 3.67Å; I85-W93 HydrophobicContact CB-CZ2 4.5Å; I85-W93 HydrophobicContact CG2-CD2 4.32Å; I85-W93 HydrophobicContact CG2-CG 4.21Å; I85-L96 HydrophobicContact CD1-CB 4.37Å; I85-L96 HydrophobicContact CD1-CD1 3.86Å; I85-L96 HydrophobicContact CD1-CD2 4.36Å; I85-L96 HydrophobicContact CD1-CG 4.44Å
86K79.1Confident64.9Low116 Ų116116.7 Ų116.750%0.50457%0.569SS.*  trans-81.4144.9-177.5-69.9169.8179.2172.40110.5Y88 D89 W93K86-Y88 HydrophobicContact CB-CD2 4.13Å; K86-Y88 HydrophobicContact CB-CE2 3.75Å; K86-Y88 HydrophobicContact CD-CE2 3.81Å; K86-Y88 HydrophobicContact CG-CE2 4.29Å; K86-Y88 PolarHBondContact O-N 3.18Å; K86-D89 HydrophobicContact CB-CB 4.39Å; K86-D89 PolarHBondContact O-N 2.86Å; K86-D89 VanDerWaalsContact O-N 3.14Å; K86-W93 PolarHBondContact O-NE1 3.13Å
87S66.2Low66.6Low94 Ų94117.4 Ų117.466%0.65757%0.57SS**THydrogen-bonded Turntrans-70.57.6-173.5620000115.7
88Y75.8Confident68.2Low164 Ų164113.5 Ų113.564%0.64356%0.56SS**THydrogen-bonded Turntrans-130.77.2179.840-105.3000112.2K86 Y90K86-Y88 HydrophobicContact CB-CD2 4.13Å; K86-Y88 HydrophobicContact CB-CE2 3.75Å; K86-Y88 HydrophobicContact CD-CE2 3.81Å; K86-Y88 HydrophobicContact CG-CE2 4.29Å; K86-Y88 PolarHBondContact O-N 3.18Å; Y88-Y90 PolarHBondContact O-N 3.28Å
89D82.2Confident69.9Low74 Ų74113.2 Ų113.240%0.39656%0.563SS.*  trans-101.969.3-179.2-165.9-18.2000110.1K86 D91 A92 W93K86-D89 HydrophobicContact CB-CB 4.39Å; K86-D89 PolarHBondContact O-N 2.86Å; K86-D89 VanDerWaalsContact O-N 3.14Å; D89-D91 PolarHBondContact O-N 3.31Å; D89-A92 HydrophobicContact CB-CB 4.21Å; D89-A92 WeakPolarHBondContact O-CB 3.41Å; D89-A92 PolarHBondContact O-N 2.97Å; D89-A92 PolarHBondContact OD1-N 3.31Å; D89-W93 VanDerWaalsContact O-CD1 3.26Å; D89-W93 PolarHBondContact O-N 3.37Å; D89-W93 VanDerWaalsContact O-N 3.13Å
90Y74Confident71.4Confident175 Ų175110.7 Ų110.769%0.68656%0.558SS**Hα-helixtrans-61.6-29.4-170.7-65.6-81.1000113.3Y88 A92 W93 A94Y88-Y90 PolarHBondContact O-N 3.28Å; Y90-A92 VanDerWaalsContact C-N 3.3Å; Y90-A92 PolarHBondContact O-N 2.92Å; Y90-W93 PolarHBondContact O-N 3.35Å; Y90-A94 WeakPolarHBondContact O-CB 3.49Å; Y90-A94 PolarHBondContact O-N 2.98Å
91D79.3Confident72.6Confident118 Ų118108.5 Ų108.563%0.63155%0.546SS*.Hα-helixtrans-71.7-21.5175.5-83.9-16.5000113.7D89 K95D89-D91 PolarHBondContact O-N 3.31Å; D91-K95 WeakPolarHBondContact O-CD 3.47Å; D91-K95 WeakPolarHBondContact O-CE 3.34Å; D91-K95 WeakPolarHBondContact O-CG 3.37Å; D91-K95 PolarHBondContact O-NZ 3.18Å
92A76.8Confident73.2Confident27 Ų27108.1 Ų108.122%0.22354%0.539CS..Hα-helixtrans-83.5-39.3170.100000111.2I85 D89 Y90 A94 K95 L96I85-A92 HydrophobicContact CD1-CB 4.37Å; I85-A92 HydrophobicContact CG2-CB 3.67Å; D89-A92 HydrophobicContact CB-CB 4.21Å; D89-A92 WeakPolarHBondContact O-CB 3.41Å; D89-A92 PolarHBondContact O-N 2.97Å; D89-A92 PolarHBondContact OD1-N 3.31Å; Y90-A92 VanDerWaalsContact C-N 3.3Å; Y90-A92 PolarHBondContact O-N 2.92Å; A92-A94 VanDerWaalsContact C-N 3.35Å; A92-A94 PolarHBondContact O-N 3.12Å; A92-K95 PolarHBondContact O-N 3.33Å; A92-L96 PolarHBondContact O-N 3.47Å
93W77.2Confident74.2Confident128 Ų128105.4 Ų105.449%0.48553%0.532SS..Hα-helixtrans-62.8-38.6172.4-75.298000112.6I85 K86 D89 Y90 K95 L96I85-W93 HydrophobicContact CB-CZ2 4.5Å; I85-W93 HydrophobicContact CG2-CD2 4.32Å; I85-W93 HydrophobicContact CG2-CG 4.21Å; K86-W93 PolarHBondContact O-NE1 3.13Å; D89-W93 VanDerWaalsContact O-CD1 3.26Å; D89-W93 PolarHBondContact O-N 3.37Å; D89-W93 VanDerWaalsContact O-N 3.13Å; Y90-W93 PolarHBondContact O-N 3.35Å; W93-K95 PolarHBondContact O-N 3.19Å; W93-K95 VanDerWaalsContact O-N 3.16Å; W93-L96 HydrophobicContact CE3-CD2 3.83Å; W93-L96 HydrophobicContact CZ3-CD2 3.81Å; W93-L96 WeakPolarHBondContact O-CB 3.5Å; W93-L96 PolarHBondContact O-N 3.09Å
94A76.6Confident74.8Confident85 Ų85105.2 Ų105.270%0.70253%0.527SS*.THydrogen-bonded Turntrans-69.1-6.417700000114.5Y90 A92Y90-A94 WeakPolarHBondContact O-CB 3.49Å; Y90-A94 PolarHBondContact O-N 2.98Å; A92-A94 VanDerWaalsContact C-N 3.35Å; A92-A94 PolarHBondContact O-N 3.12Å
95K79.4Confident74.6Confident159 Ų159100.5 Ų100.569%0.69152%0.516SS*.THydrogen-bonded Turntrans-1166.9176.7-63.3174.3-168.1115.90112.4D91 A92 W93 D97D91-K95 WeakPolarHBondContact O-CD 3.47Å; D91-K95 WeakPolarHBondContact O-CE 3.34Å; D91-K95 WeakPolarHBondContact O-CG 3.37Å; D91-K95 PolarHBondContact O-NZ 3.18Å; A92-K95 PolarHBondContact O-N 3.33Å; W93-K95 PolarHBondContact O-N 3.19Å; W93-K95 VanDerWaalsContact O-N 3.16Å; K95-D97 PolarHBondContact O-N 3.17Å
96L78Confident74.1Confident59 Ų59103.2 Ų103.231%0.30953%0.531SS..  trans-82.9108.8177.6-173.165.5000109.1I85 A92 W93 V98 I101I85-L96 HydrophobicContact CD1-CB 4.37Å; I85-L96 HydrophobicContact CD1-CD1 3.86Å; I85-L96 HydrophobicContact CD1-CD2 4.36Å; I85-L96 HydrophobicContact CD1-CG 4.44Å; A92-L96 PolarHBondContact O-N 3.47Å; W93-L96 HydrophobicContact CE3-CD2 3.83Å; W93-L96 HydrophobicContact CZ3-CD2 3.81Å; W93-L96 WeakPolarHBondContact O-CB 3.5Å; W93-L96 PolarHBondContact O-N 3.09Å; L96-V98 PolarHBondContact O-N 3.46Å; L96-V98 VanDerWaalsContact O-N 3.15Å; L96-I101 HydrophobicContact CD1-CD1 3.45Å; L96-I101 VanDerWaalsContact CD1-CD1 3.45Å; L96-I101 HydrophobicContact CG-CD1 4.02Å
97D74.8Confident73.5Confident98 Ų98103.4 Ų103.452%0.52453%0.532SS..  trans-72.3103.2169.8-167.4-34.5000108.7K95 D99 S100 I101K95-D97 PolarHBondContact O-N 3.17Å; D97-D99 PolarHBondContact OD1-N 2.89Å; D97-S100 WeakPolarHBondContact OD1-CB 3.1Å; D97-S100 PolarHBondContact OD1-N 3.27Å; D97-I101 WeakPolarHBondContact O-CD1 3.27Å; D97-I101 WeakPolarHBondContact O-CG1 3.41Å
98V72.1Confident72.8Confident85 Ų85105.7 Ų105.752%0.51553%0.532SS..Hα-helixtrans-74.4-37.4-177.7178.60000110.7L96 I101 L102L96-V98 PolarHBondContact O-N 3.46Å; L96-V98 VanDerWaalsContact O-N 3.15Å; V98-I101 PolarHBondContact O-N 3.29Å; V98-L102 HydrophobicContact CG1-CD1 4.29Å; V98-L102 WeakPolarHBondContact O-CG 3.45Å; V98-L102 PolarHBondContact O-N 3.48Å; V98-L102 VanDerWaalsContact O-N 3.1Å
99D73.7Confident71.4Confident125 Ų125105 Ų10567%0.66854%0.539SS*.Hα-helixtrans-68-42.6-176.9-62.5-28000109.8D97 I101 L102 D103D97-D99 PolarHBondContact OD1-N 2.89Å; D99-I101 PolarHBondContact O-N 3.37Å; D99-L102 PolarHBondContact O-N 3.14Å; D99-D103 WeakPolarHBondContact O-CB 3.45Å; D99-D103 PolarHBondContact O-N 3.01Å
100S76.5Confident69.5Low63 Ų63108.1 Ų108.144%0.44156%0.556SS.*Hα-helixtrans-60.9-24.7173.7-174.60000114.1D97 E104D97-S100 WeakPolarHBondContact OD1-CB 3.1Å; D97-S100 PolarHBondContact OD1-N 3.27Å; S100-E104 PolarHBondContact O-N 3.06Å
101I70.9Confident68.3Low73 Ų73105.4 Ų105.437%0.37456%0.558SS.*Hα-helixtrans-84.4-37.9179-70.1169.5000111.1L96 D97 V98 D99 D103 E104 L105L96-I101 HydrophobicContact CD1-CD1 3.45Å; L96-I101 VanDerWaalsContact CD1-CD1 3.45Å; L96-I101 HydrophobicContact CG-CD1 4.02Å; D97-I101 WeakPolarHBondContact O-CD1 3.27Å; D97-I101 WeakPolarHBondContact O-CG1 3.41Å; V98-I101 PolarHBondContact O-N 3.29Å; D99-I101 PolarHBondContact O-N 3.37Å; I101-D103 VanDerWaalsContact C-N 3.3Å; I101-E104 PolarHBondContact O-N 3.47Å; I101-L105 HydrophobicContact CG2-CD1 4.25Å; I101-L105 WeakPolarHBondContact O-CG 3.38Å; I101-L105 PolarHBondContact O-N 2.92Å; I101-L105 VanDerWaalsContact O-N 3.08Å
102L65.8Low66.6Low92 Ų92107.8 Ų107.848%0.48257%0.565SS.*Hα-helixtrans-61.4-44.4170.2-65.9170.1000110.1V98 D99 E104 L105 D106V98-L102 HydrophobicContact CG1-CD1 4.29Å; V98-L102 WeakPolarHBondContact O-CG 3.45Å; V98-L102 PolarHBondContact O-N 3.48Å; V98-L102 VanDerWaalsContact O-N 3.1Å; D99-L102 PolarHBondContact O-N 3.14Å; L102-E104 VanDerWaalsContact C-N 3.26Å; L102-E104 PolarHBondContact O-N 3.44Å; L102-L105 PolarHBondContact O-N 3.3Å; L102-L105 VanDerWaalsContact O-N 3.16Å; L102-D106 PolarHBondContact O-N 3.01Å
103D74.8Confident64.6Low98 Ų98113 Ų11352%0.52459%0.589SS.*Hα-helixtrans-63.5-27.2178.7-144.260000112.3D99 I101 K107D99-D103 WeakPolarHBondContact O-CB 3.45Å; D99-D103 PolarHBondContact O-N 3.01Å; I101-D103 VanDerWaalsContact C-N 3.3Å; D103-K107 WeakPolarHBondContact O-CD 3.49Å; D103-K107 VanDerWaalsContact O-CG 3.28Å; D103-K107 WeakPolarHBondContact O-CG 3.29Å; D103-K107 PolarHBondContact O-NZ 3.12Å; D103-K107 IonicContact OD1-NZ 2.61Å; D103-K107 IonicContact OD2-NZ 3.77Å; D103-K107 PolarHBondContact OD2-NZ 2.89Å
104E71.7Confident62.7Low132 Ų132111.8 Ų111.862%0.61760%0.6SS**Hα-helixtrans-79.2-40.3170.7-80.2-169.4140.400113.1S100 I101 L102 K107 E108S100-E104 PolarHBondContact O-N 3.06Å; I101-E104 PolarHBondContact O-N 3.47Å; L102-E104 VanDerWaalsContact C-N 3.26Å; L102-E104 PolarHBondContact O-N 3.44Å; E104-K107 WeakPolarHBondContact O-CB 3.48Å; E104-K107 PolarHBondContact O-N 2.95Å; E104-K107 VanDerWaalsContact O-N 3.13Å; E104-E108 PolarHBondContact O-N 2.93Å
105L64.7Low61Low94 Ų94114 Ų11449%0.49260%0.604SS.*Hα-helixtrans-63-44.1178.6-73167000112.2I101 L102 K107 E108 D109I101-L105 HydrophobicContact CG2-CD1 4.25Å; I101-L105 WeakPolarHBondContact O-CG 3.38Å; I101-L105 PolarHBondContact O-N 2.92Å; I101-L105 VanDerWaalsContact O-N 3.08Å; L102-L105 PolarHBondContact O-N 3.3Å; L102-L105 VanDerWaalsContact O-N 3.16Å; L105-K107 PolarHBondContact O-N 3.29Å; L105-K107 VanDerWaalsContact O-N 3.13Å; L105-E108 PolarHBondContact O-N 3.41Å; L105-D109 PolarHBondContact O-N 3.49Å
106D66.3Low59.1Low108 Ų108111.2 Ų111.258%0.57861%0.605SS**Hα-helixtrans-62.4-20176.5-75.6-2.5000112.5L102 N110L102-D106 PolarHBondContact O-N 3.01Å; D106-N110 PolarHBondContact O-ND2 2.74Å
107K67.4Low57.2Low121 Ų121117.6 Ų117.653%0.52663%0.633SS.*Hα-helixtrans-85.8-30.3173.7-67.6177.9-170.386.20113.1D103 E104 L105D103-K107 WeakPolarHBondContact O-CD 3.49Å; D103-K107 VanDerWaalsContact O-CG 3.28Å; D103-K107 WeakPolarHBondContact O-CG 3.29Å; D103-K107 PolarHBondContact O-NZ 3.12Å; D103-K107 IonicContact OD1-NZ 2.61Å; D103-K107 IonicContact OD2-NZ 3.77Å; D103-K107 PolarHBondContact OD2-NZ 2.89Å; E104-K107 WeakPolarHBondContact O-CB 3.48Å; E104-K107 PolarHBondContact O-N 2.95Å; E104-K107 VanDerWaalsContact O-N 3.13Å; L105-K107 PolarHBondContact O-N 3.29Å; L105-K107 VanDerWaalsContact O-N 3.13Å
108E51.9Low55.5Low142 Ų142121.4 Ų121.466%0.66465%0.648SS**Hα-helixtrans-73.8-40.9177.8-68.3-157.1147.200112.5E104 L105 N110 T111E104-E108 PolarHBondContact O-N 2.93Å; L105-E108 PolarHBondContact O-N 3.41Å; E108-N110 PolarHBondContact O-N 3.3Å; E108-N110 VanDerWaalsContact O-N 3.13Å; E108-T111 PolarHBondContact O-N 2.83Å; E108-T111 PolarHBondContact O-OG1 3.43Å
109D46.3Very low53.8Low149 Ų149122.5 Ų122.580%0.79766%0.659SS**G310 helixtrans-66-15.1-178.5-92-16.4000113.8L105 T111L105-D109 PolarHBondContact O-N 3.49Å; D109-T111 PolarHBondContact O-N 2.87Å; D109-T111 VanDerWaalsContact O-N 3.1Å
110N42.6Very low52.6Low139 Ų139126.1 Ų126.174%0.74367%0.672SS**G310 helixtrans-73.79.5176.2-91.9-81.3000114.8D106 E108D106-N110 PolarHBondContact O-ND2 2.74Å; E108-N110 PolarHBondContact O-N 3.3Å; E108-N110 VanDerWaalsContact O-N 3.13Å
111T46.7Very low50.6Low118 Ų118128 Ų12872%0.72469%0.686SS**G310 helixtrans-1143.7-167.962.80000117E108 D109E108-T111 PolarHBondContact O-N 2.83Å; E108-T111 PolarHBondContact O-OG1 3.43Å; D109-T111 PolarHBondContact O-N 2.87Å; D109-T111 VanDerWaalsContact O-N 3.1Å
112H43.7Very low49.5Very low169 Ų169134.5 Ų134.578%0.78271%0.714SS**  trans-144.651.3174.5-157.4-65000114.6S114H112-S114 PolarHBondContact O-N 3.48Å
113D34.8Very low48.2Very low137 Ų137137.2 Ų137.273%0.73373%0.729SS**  trans-64.1123.6171.8176.724000112.4V115D113-V115 PolarHBondContact OD1-N 2.64Å
114S38.4Very low47Very low102 Ų102140.4 Ų140.471%0.71375%0.746SS**  trans-164.386.8148.3-79.50000110.4H112H112-S114 PolarHBondContact O-N 3.48Å
115V41.3Very low45.6Very low130 Ų130136.6 Ų136.679%0.78874%0.743SS**  trans48.8119.5140.6-173.90000117.2D113D113-V115 PolarHBondContact OD1-N 2.64Å
116S38.5Very low45.2Very low101 Ų101136.8 Ų136.871%0.70675%0.747SS**  cis-158.5159.419.348.40000112.6E118S116-E118 PolarHBondContact O-N 3.48Å
117Q38.3Very low45Very low194 Ų194140.9 Ų140.991%0.90776%0.755SS**  trans-30121.4172.2-63.3166.3-87.300115.8
118E38.9Very low45.3Very low178 Ų178138.1 Ų138.183%0.83275%0.748SS**PPolyproline II helixtrans-87.1121.9149.4-68.3-173153.700107.4S116S116-E118 PolarHBondContact O-N 3.48Å
119S36.7Very low46.8Very low108 Ų108133.7 Ų133.776%0.75573%0.729SS**PPolyproline II helixtrans-88.3118.2168.956.30000108.9S121S119-S121 PolarHBondContact O-N 2.85Å
120E48.4Very low48.6Very low201 Ų201128.9 Ų128.994%0.93971%0.707SS**PPolyproline II helixtrans-64.9118-177.8-62.7-177131.700111.8
121S34.5Very low50.8Low103 Ų103130.2 Ų130.272%0.7271%0.708SS**  trans-146.1119.1163.664.50000109.2S119 D123S119-S121 PolarHBondContact O-N 2.85Å; S121-D123 PolarHBondContact O-N 2.94Å
122E48.3Very low52.9Low208 Ų208129.8 Ų129.897%0.97270%0.697SS**  trans-71.5115.3-179.2-58179.813100110.8
123D38.1Very low55.2Low149 Ų149121.7 Ų121.780%0.79766%0.659SS**  trans-144.6150.2165.7-17531.7000109.9S121 G125S121-D123 PolarHBondContact O-N 2.94Å; D123-G125 PolarHBondContact O-N 2.6Å
124D48.7Very low57.9Low165 Ų165118.9 Ų118.988%0.88264%0.644SS**  trans-82.241.5-172.3-144.3-6.7000111.6
125G43Very low60.6Low53 Ų53119 Ų11955%0.54664%0.64SS.*  trans-75.3128.5-166.100000113.9D123 R127D123-G125 PolarHBondContact O-N 2.6Å; G125-R127 PolarHBondContact O-N 3.17Å
126V56.4Low63.1Low97 Ų97114.5 Ų114.559%0.58861%0.611SS**  trans-60.6112.1165.41770000108.5V128 P164V126-V128 WeakPolarHBondContact O-CG2 3.44Å; V126-V128 PolarHBondContact O-N 3.13Å; V126-P164 HydrophobicContact CG1-CG 4.48Å
127R61.3Low65.8Low195 Ų195111.5 Ų111.574%0.73659%0.585SS**  trans-61.496.8-179.6-175.1-177.6177.4111.13.6111.5G125 D129G125-R127 PolarHBondContact O-N 3.17Å; R127-D129 IonicContact NE-OD1 3.98Å; R127-D129 PolarHBondContact NE-OD1 2.82Å; R127-D129 PolarHBondContact O-N 2.77Å; R127-D129 VanDerWaalsContact O-N 3.12Å
128V74.3Confident68.6Low62 Ų62106.3 Ų106.338%0.37656%0.561SS.*  trans-76.194.5178.5-178.50000110.1V126 S130 D163 Y165V126-V128 WeakPolarHBondContact O-CG2 3.44Å; V126-V128 PolarHBondContact O-N 3.13Å; V128-S130 PolarHBondContact O-N 2.7Å; V128-D163 HydrophobicContact CG1-CB 4.15Å; V128-Y165 HydrophobicContact CG2-CD2 3.98Å; V128-Y165 HydrophobicContact CG2-CE2 3.96Å
129D83.7Confident71.2Confident49 Ų49102.6 Ų102.626%0.26254%0.542SS..  trans-76.261.5173.1-68.9-28.7000110.3R127 Q131 K132 A133 A162R127-D129 IonicContact NE-OD1 3.98Å; R127-D129 PolarHBondContact NE-OD1 2.82Å; R127-D129 PolarHBondContact O-N 2.77Å; R127-D129 VanDerWaalsContact O-N 3.12Å; D129-Q131 VanDerWaalsContact C-N 3.26Å; D129-Q131 PolarHBondContact O-N 3.14Å; D129-Q131 VanDerWaalsContact O-N 3.11Å; D129-K132 HydrophobicContact CB-CB 3.77Å; D129-K132 HydrophobicContact CB-CD 3.52Å; D129-K132 HydrophobicContact CB-CG 4.38Å; D129-K132 WeakPolarHBondContact O-CA 3.22Å; D129-K132 VanDerWaalsContact O-CB 3.26Å; D129-K132 WeakPolarHBondContact O-CB 3.19Å; D129-K132 PolarHBondContact O-N 2.91Å; D129-K132 WeakPolarHBondContact OD2-CD 3.32Å; D129-K132 IonicContact OD2-NZ 3.59Å; D129-K132 PolarHBondContact OD2-NZ 3.3Å; D129-A133 PolarHBondContact O-N 3.04Å; D129-A133 VanDerWaalsContact O-N 3.09Å; D129-A162 HydrophobicContact CB-CB 4.45Å; D129-A162 PolarHBondContact N-O 3.36Å
130S84.9Confident74Confident49 Ų4997.5 Ų97.534%0.34351%0.506SS..Hα-helixtrans-58.7-32.9-169.7-166.60000113.8V128 K132 A133 L134 D163V128-S130 PolarHBondContact O-N 2.7Å; S130-K132 PolarHBondContact O-N 2.79Å; S130-A133 WeakPolarHBondContact O-CB 3.34Å; S130-A133 PolarHBondContact O-N 3.34Å; S130-L134 WeakPolarHBondContact O-CG 3.34Å; S130-L134 PolarHBondContact O-N 2.68Å; S130-D163 PolarHBondContact OG-OD2 3.45Å
131Q88.5Confident76.3Confident166 Ų16689.4 Ų89.478%0.77647%0.47SS*.Hα-helixtrans-60.7-41.7172.8-64.7-175.91.600112.8D129 L134 V135D129-Q131 VanDerWaalsContact C-N 3.26Å; D129-Q131 PolarHBondContact O-N 3.14Å; D129-Q131 VanDerWaalsContact O-N 3.11Å; Q131-L134 PolarHBondContact O-N 2.92Å; Q131-V135 WeakPolarHBondContact O-CG2 3.47Å; Q131-V135 PolarHBondContact O-N 2.94Å
132K90.5Very high79.2Confident109 Ų10991.3 Ų91.347%0.47447%0.465SS..Hα-helixtrans-67.4-39.7177.4178.7-166.2-176.8-171.10110.5D129 S130 V135 L136 A162D129-K132 HydrophobicContact CB-CB 3.77Å; D129-K132 HydrophobicContact CB-CD 3.52Å; D129-K132 HydrophobicContact CB-CG 4.38Å; D129-K132 WeakPolarHBondContact O-CA 3.22Å; D129-K132 VanDerWaalsContact O-CB 3.26Å; D129-K132 WeakPolarHBondContact O-CB 3.19Å; D129-K132 PolarHBondContact O-N 2.91Å; D129-K132 WeakPolarHBondContact OD2-CD 3.32Å; D129-K132 IonicContact OD2-NZ 3.59Å; D129-K132 PolarHBondContact OD2-NZ 3.3Å; S130-K132 PolarHBondContact O-N 2.79Å; K132-V135 PolarHBondContact O-N 3.36Å; K132-L136 HydrophobicContact CG-CD1 4.17Å; K132-L136 WeakPolarHBondContact O-CB 3.33Å; K132-L136 VanDerWaalsContact O-CG 3.29Å; K132-L136 WeakPolarHBondContact O-CG 3.4Å; K132-L136 PolarHBondContact O-N 2.96Å; K132-A162 HydrophobicContact CD-CB 3.97Å; K132-A162 HydrophobicContact CG-CB 4.32Å
133A91.5Very high81.5Confident0 Ų084.5 Ų84.50%043%0.431CS..Hα-helixtrans-62.4-41172.600000112.3D129 S130 L136 K137 A162 D163 L169D129-A133 PolarHBondContact O-N 3.04Å; D129-A133 VanDerWaalsContact O-N 3.09Å; S130-A133 WeakPolarHBondContact O-CB 3.34Å; S130-A133 PolarHBondContact O-N 3.34Å; A133-L136 PolarHBondContact O-N 2.88Å; A133-K137 VanDerWaalsContact O-CB 3.22Å; A133-K137 WeakPolarHBondContact O-CB 3.35Å; A133-K137 PolarHBondContact O-N 2.86Å; A133-A162 HydrophobicContact CB-CB 4.11Å; A133-D163 HydrophobicContact CB-CB 3.28Å; A133-L169 HydrophobicContact CB-CD1 4.18Å
134L92.5Very high84.3Confident78 Ų7880 Ų8041%0.40840%0.404SS..Hα-helixtrans-62.9-42.4173.5-73.6169.3000112.7S130 Q131 K137 E138S130-L134 WeakPolarHBondContact O-CG 3.34Å; S130-L134 PolarHBondContact O-N 2.68Å; Q131-L134 PolarHBondContact O-N 2.92Å; L134-K137 HydrophobicContact CD2-CD 4.4Å; L134-K137 WeakPolarHBondContact O-CB 3.43Å; L134-K137 PolarHBondContact O-N 3.45Å; L134-E138 PolarHBondContact O-N 2.85Å
135V94Very high86.6Confident104 Ų10480.9 Ų80.963%0.6340%0.4SS*.Hα-helixtrans-63.7-42.9175171.20000111.4Q131 K132 E138 K139Q131-V135 WeakPolarHBondContact O-CG2 3.47Å; Q131-V135 PolarHBondContact O-N 2.94Å; K132-V135 PolarHBondContact O-N 3.36Å; V135-E138 PolarHBondContact O-N 3.36Å; V135-K139 PolarHBondContact O-N 3.01Å
136L94.4Very high89Confident35 Ų3584.2 Ų84.218%0.18340%0.402CS..Hα-helixtrans-68-38.5177.7-72.5167.4000112.3K132 A133 K139 G140 K158K132-L136 HydrophobicContact CG-CD1 4.17Å; K132-L136 WeakPolarHBondContact O-CB 3.33Å; K132-L136 VanDerWaalsContact O-CG 3.29Å; K132-L136 WeakPolarHBondContact O-CG 3.4Å; K132-L136 PolarHBondContact O-N 2.96Å; A133-L136 PolarHBondContact O-N 2.88Å; L136-K139 PolarHBondContact O-N 3.42Å; L136-G140 PolarHBondContact O-N 3.23Å; L136-K158 HydrophobicContact CD1-CB 4.22Å; L136-K158 WeakPolarHBondContact CD1-O 3.47Å
137K95.1Very high90.8Very high38 Ų3881.4 Ų81.417%0.16539%0.392CS..Hα-helixtrans-57.2-48.6170.1-178.2-148.767.6168.50111.1A133 L134 K139 G140 N141 V168 L169A133-K137 VanDerWaalsContact O-CB 3.22Å; A133-K137 WeakPolarHBondContact O-CB 3.35Å; A133-K137 PolarHBondContact O-N 2.86Å; L134-K137 HydrophobicContact CD2-CD 4.4Å; L134-K137 WeakPolarHBondContact O-CB 3.43Å; L134-K137 PolarHBondContact O-N 3.45Å; K137-K139 PolarHBondContact O-N 3.25Å; K137-G140 PolarHBondContact O-N 2.96Å; K137-N141 PolarHBondContact O-N 2.73Å; K137-N141 PolarHBondContact O-ND2 3.13Å; K137-N141 PolarHBondContact O-OD1 3.1Å; K137-V168 HydrophobicContact CD-CG1 4.48Å; K137-L169 HydrophobicContact CB-CD2 3.83Å; K137-L169 HydrophobicContact CG-CD2 4.23Å
138E96.1Very high92.4Very high86 Ų8676.5 Ų76.540%0.40238%0.376SS..Hα-helixtrans-70.2-29.3177.5-66.1-53.6153.600113.5L134 V135 N141 K142L134-E138 PolarHBondContact O-N 2.85Å; V135-E138 PolarHBondContact O-N 3.36Å; E138-N141 VanDerWaalsContact CD-ND2 3.31Å; E138-N141 PolarHBondContact O-N 3.2Å; E138-N141 PolarHBondContact OE1-ND2 3Å; E138-N141 PolarHBondContact OE2-ND2 3.03Å; E138-K142 WeakPolarHBondContact O-CG 3.41Å; E138-K142 PolarHBondContact O-N 3.3Å
139K94.6Very high93.4Very high100 Ų10076.4 Ų76.444%0.43537%0.369SS..Hα-helixtrans-65.6-44170.1-165.3-178.5-175.9-172.30111.4V135 L136 K137 K142 Y143V135-K139 PolarHBondContact O-N 3.01Å; L136-K139 PolarHBondContact O-N 3.42Å; K137-K139 PolarHBondContact O-N 3.25Å; K139-K142 WeakPolarHBondContact O-CB 3.35Å; K139-K142 PolarHBondContact O-N 3.35Å; K139-Y143 HydrophobicContact CD-CE2 4.2Å; K139-Y143 WeakPolarHBondContact CE-OH 3.49Å; K139-Y143 HydrophobicContact CG-CD2 4.33Å; K139-Y143 HydrophobicContact CG-CE2 3.83Å; K139-Y143 WeakPolarHBondContact O-CD2 3.33Å; K139-Y143 PolarHBondContact O-N 3.44Å; K139-Y143 VanDerWaalsContact O-N 3.15Å
140G95.7Very high93.9Very high0 Ų078 Ų780%038%0.378CS..Hα-helixtrans-60.8-43172.400000112.4L136 K137 K142 Y143 F144 A152 Y156L136-G140 PolarHBondContact O-N 3.23Å; K137-G140 PolarHBondContact O-N 2.96Å; G140-K142 VanDerWaalsContact C-N 3.27Å; G140-K142 PolarHBondContact O-N 2.74Å; G140-Y143 PolarHBondContact O-N 3.38Å; G140-F144 WeakPolarHBondContact O-CB 3.39Å; G140-F144 PolarHBondContact O-N 3.06Å; G140-A152 WeakPolarHBondContact O-CB 3.43Å; G140-Y156 PolarHBondContact O-OH 3.34Å
141N95.5Very high94.4Very high32 Ų3278.7 Ų78.717%0.17138%0.376CS..Hα-helixtrans-58.7-37.8175-68.8-17.3000112K137 E138 K145 Y156 N172K137-N141 PolarHBondContact O-N 2.73Å; K137-N141 PolarHBondContact O-ND2 3.13Å; K137-N141 PolarHBondContact O-OD1 3.1Å; E138-N141 VanDerWaalsContact CD-ND2 3.31Å; E138-N141 PolarHBondContact O-N 3.2Å; E138-N141 PolarHBondContact OE1-ND2 3Å; E138-N141 PolarHBondContact OE2-ND2 3.03Å; N141-K145 WeakPolarHBondContact O-CG 3.36Å; N141-K145 PolarHBondContact O-N 3.44Å; N141-K145 VanDerWaalsContact O-N 3.09Å; N141-Y156 PolarHBondContact N-OH 2.91Å; N141-Y156 PolarHBondContact OD1-OH 2.97Å; N141-N172 PolarHBondContact OD1-ND2 3.33Å; N141-N172 VanDerWaalsContact OD1-ND2 3.08Å
142K96.9Very high94.8Very high142 Ų14270.8 Ų70.862%0.61734%0.339SS*.Hα-helixtrans-66-48.7175.6-73.4171.4-178.4-179.90111.8E138 K139 G140 F144 K145 Q146E138-K142 WeakPolarHBondContact O-CG 3.41Å; E138-K142 PolarHBondContact O-N 3.3Å; K139-K142 WeakPolarHBondContact O-CB 3.35Å; K139-K142 PolarHBondContact O-N 3.35Å; G140-K142 VanDerWaalsContact C-N 3.27Å; G140-K142 PolarHBondContact O-N 2.74Å; K142-F144 PolarHBondContact O-N 2.77Å; K142-K145 PolarHBondContact O-N 2.88Å; K142-Q146 WeakPolarHBondContact O-CG 3.29Å; K142-Q146 PolarHBondContact O-N 3.28Å; K142-Q146 VanDerWaalsContact O-N 3.14Å
143Y96.6Very high95.1Very high65 Ų6566.3 Ų66.326%0.25532%0.32SS..Hα-helixtrans-64.3-39.5176.7-68.7-52.5000112.5K139 G140 K145 Q146 G147 K148 E151 C155K139-Y143 HydrophobicContact CD-CE2 4.2Å; K139-Y143 WeakPolarHBondContact CE-OH 3.49Å; K139-Y143 HydrophobicContact CG-CD2 4.33Å; K139-Y143 HydrophobicContact CG-CE2 3.83Å; K139-Y143 WeakPolarHBondContact O-CD2 3.33Å; K139-Y143 PolarHBondContact O-N 3.44Å; K139-Y143 VanDerWaalsContact O-N 3.15Å; G140-Y143 PolarHBondContact O-N 3.38Å; Y143-K145 VanDerWaalsContact C-N 3.33Å; Y143-K145 PolarHBondContact O-N 2.95Å; Y143-Q146 CarbonylContact O-C 3.45Å; Y143-Q146 WeakPolarHBondContact O-CA 3.39Å; Y143-Q146 WeakPolarHBondContact O-CB 3.28Å; Y143-Q146 PolarHBondContact O-N 2.93Å; Y143-G147 PolarHBondContact O-N 3.48Å; Y143-K148 HydrophobicContact CD1-CB 4.23Å; Y143-K148 HydrophobicContact CD1-CD 4.06Å; Y143-K148 HydrophobicContact CG-CB 4.47Å; Y143-K148 WeakPolarHBondContact O-CB 3.46Å; Y143-K148 PolarHBondContact O-N 2.88Å; Y143-E151 HydrophobicContact CD1-CB 4.43Å; Y143-E151 HydrophobicContact CD2-CB 4.09Å; Y143-E151 HydrophobicContact CE2-CB 4.41Å; Y143-E151 HydrophobicContact CG-CB 4.12Å; Y143-C155 VanDerWaalsContact CE2-SG 3.59Å
144F96.2Very high95.3Very high55 Ų5571.4 Ų71.424%0.24134%0.343CS..Hα-helixtrans-59.9-41.4175.3-176.3-89.3000112.1G140 K142 Q146 G147 Y149 A152 A176 R179G140-F144 WeakPolarHBondContact O-CB 3.39Å; G140-F144 PolarHBondContact O-N 3.06Å; K142-F144 PolarHBondContact O-N 2.77Å; F144-Q146 VanDerWaalsContact C-N 3.26Å; F144-Q146 PolarHBondContact O-N 3.5Å; F144-G147 PolarHBondContact O-N 3.41Å; F144-Y149 AromaticContact CD2-CD1 3.8Å; F144-Y149 HydrophobicContact CD2-CD1 3.8Å; F144-Y149 AromaticContact CD2-CE1 3.96Å; F144-Y149 HydrophobicContact CD2-CE1 3.96Å; F144-Y149 HydrophobicContact CE2-CD1 4.03Å; F144-Y149 AromaticContact CE2-CE1 3.94Å; F144-Y149 HydrophobicContact CE2-CE1 3.94Å; F144-Y149 HydrophobicContact CZ-CE1 4.48Å; F144-A152 HydrophobicContact CB-CB 4.14Å; F144-A176 HydrophobicContact CD2-CB 4.07Å; F144-A176 HydrophobicContact CE2-CB 4.26Å; F144-R179 HydrophobicContact CE2-CG 3.98Å; F144-R179 HydrophobicContact CZ-CG 4.09Å
145K95.9Very high95.4Very high183 Ų18368.1 Ų68.180%0.79633%0.327SS*.Hα-helixtrans-66.3-25.1172.9-74.6175.6178.8-178.20113.4N141 K142 Y143 G147N141-K145 WeakPolarHBondContact O-CG 3.36Å; N141-K145 PolarHBondContact O-N 3.44Å; N141-K145 VanDerWaalsContact O-N 3.09Å; K142-K145 PolarHBondContact O-N 2.88Å; Y143-K145 VanDerWaalsContact C-N 3.33Å; Y143-K145 PolarHBondContact O-N 2.95Å; K145-G147 VanDerWaalsContact C-N 3.32Å
146Q95.3Very high95.5Very high124 Ų12463.3 Ų63.358%0.57930%0.297SS*.THydrogen-bonded Turntrans-85.61174.7-67.2168.8-1.900113.3K142 Y143 F144 K148K142-Q146 WeakPolarHBondContact O-CG 3.29Å; K142-Q146 PolarHBondContact O-N 3.28Å; K142-Q146 VanDerWaalsContact O-N 3.14Å; Y143-Q146 CarbonylContact O-C 3.45Å; Y143-Q146 WeakPolarHBondContact O-CA 3.39Å; Y143-Q146 WeakPolarHBondContact O-CB 3.28Å; Y143-Q146 PolarHBondContact O-N 2.93Å; F144-Q146 VanDerWaalsContact C-N 3.26Å; F144-Q146 PolarHBondContact O-N 3.5Å; Q146-K148 HydrophobicContact CB-CB 4.49Å; Q146-K148 HydrophobicContact CB-CD 4.37Å; Q146-K148 HydrophobicContact CB-CG 4.47Å; Q146-K148 PolarHBondContact O-N 3.23Å
147G93Very high95.6Very high37 Ų3763.6 Ų63.638%0.38130%0.301SS..THydrogen-bonded Turntrans73.45.4-173.700000114.6Y143 F144 K145 Y149Y143-G147 PolarHBondContact O-N 3.48Å; F144-G147 PolarHBondContact O-N 3.41Å; K145-G147 VanDerWaalsContact C-N 3.32Å; G147-Y149 VanDerWaalsContact C-N 3.33Å; G147-Y149 WeakPolarHBondContact O-CD2 3.4Å; G147-Y149 WeakPolarHBondContact O-CE2 3.46Å; G147-Y149 PolarHBondContact O-N 2.85Å; G147-Y149 VanDerWaalsContact O-N 3.08Å
148K95.2Very high95.6Very high92 Ų9266.8 Ų66.840%0.432%0.315SS..  trans-83.273.5178.6-81.3175.3161.7-78.80110.1Y143 Q146 E151 A152Y143-K148 HydrophobicContact CD1-CB 4.23Å; Y143-K148 HydrophobicContact CD1-CD 4.06Å; Y143-K148 HydrophobicContact CG-CB 4.47Å; Y143-K148 WeakPolarHBondContact O-CB 3.46Å; Y143-K148 PolarHBondContact O-N 2.88Å; Q146-K148 HydrophobicContact CB-CB 4.49Å; Q146-K148 HydrophobicContact CB-CD 4.37Å; Q146-K148 HydrophobicContact CB-CG 4.47Å; Q146-K148 PolarHBondContact O-N 3.23Å; K148-E151 WeakPolarHBondContact CA-OE2 3.2Å; K148-E151 VanDerWaalsContact CB-OE2 3.31Å; K148-E151 WeakPolarHBondContact CB-OE2 3.41Å; K148-E151 WeakPolarHBondContact CD-OE1 3.44Å; K148-E151 WeakPolarHBondContact CG-OE1 3.42Å; K148-E151 IonicContact NZ-OE1 3.34Å; K148-E151 PolarHBondContact NZ-OE1 3.37Å; K148-A152 WeakPolarHBondContact O-CB 3.36Å; K148-A152 PolarHBondContact O-N 2.78Å; K148-A152 VanDerWaalsContact O-N 3.09Å
149Y95.4Very high95.5Very high61 Ų6162.7 Ų62.724%0.23930%0.296CS..Hα-helixtrans-72.7-39.8-168.1-59.1-60000113.6F144 G147 A152 I153 R179 L180F144-Y149 AromaticContact CD2-CD1 3.8Å; F144-Y149 HydrophobicContact CD2-CD1 3.8Å; F144-Y149 AromaticContact CD2-CE1 3.96Å; F144-Y149 HydrophobicContact CD2-CE1 3.96Å; F144-Y149 HydrophobicContact CE2-CD1 4.03Å; F144-Y149 AromaticContact CE2-CE1 3.94Å; F144-Y149 HydrophobicContact CE2-CE1 3.94Å; F144-Y149 HydrophobicContact CZ-CE1 4.48Å; G147-Y149 VanDerWaalsContact C-N 3.33Å; G147-Y149 WeakPolarHBondContact O-CD2 3.4Å; G147-Y149 WeakPolarHBondContact O-CE2 3.46Å; G147-Y149 PolarHBondContact O-N 2.85Å; G147-Y149 VanDerWaalsContact O-N 3.08Å; Y149-A152 WeakPolarHBondContact O-CB 3.46Å; Y149-A152 PolarHBondContact O-N 2.79Å; Y149-I153 WeakPolarHBondContact O-CD1 3.48Å; Y149-I153 VanDerWaalsContact O-CG1 3.28Å; Y149-I153 WeakPolarHBondContact O-CG1 3.48Å; Y149-I153 PolarHBondContact O-N 3.44Å; Y149-R179 HydrophobicContact CD1-CB 3.85Å; Y149-R179 HydrophobicContact CD1-CG 4.2Å; Y149-R179 HydrophobicContact CD2-CB 4.12Å; Y149-R179 HydrophobicContact CE1-CB 3.63Å; Y149-R179 HydrophobicContact CE1-CG 3.63Å; Y149-R179 HydrophobicContact CE2-CB 3.91Å; Y149-R179 HydrophobicContact CG-CB 4.09Å; Y149-L180 HydrophobicContact CD2-CD2 4.06Å; Y149-L180 HydrophobicContact CD2-CG 4.49Å; Y149-L180 HydrophobicContact CG-CD2 4.4Å; Y149-L180 HydrophobicContact CG-CG 4.43Å
150D94.7Very high95.4Very high81 Ų8159.2 Ų59.243%0.43328%0.281SS..Hα-helixtrans-71.7-38.2179.9-62-83.7000111.3A152 I153 E154 L180 K182D150-A152 VanDerWaalsContact C-N 3.3Å; D150-A152 PolarHBondContact O-N 3.14Å; D150-I153 WeakPolarHBondContact O-CB 3.24Å; D150-I153 PolarHBondContact O-N 3.39Å; D150-E154 PolarHBondContact O-N 3.33Å; D150-L180 VanDerWaalsContact OD1-CD1 3.27Å; D150-L180 WeakPolarHBondContact OD1-CD1 3.22Å; D150-K182 IonicContact OD1-NZ 3.22Å; D150-K182 PolarHBondContact OD1-NZ 2.99Å
151E95Very high95.2Very high65 Ų6565.2 Ų65.230%0.30431%0.313SS..Hα-helixtrans-67-30.1171.3-53.1101.2120.400112.7Y143 K148 C155Y143-E151 HydrophobicContact CD1-CB 4.43Å; Y143-E151 HydrophobicContact CD2-CB 4.09Å; Y143-E151 HydrophobicContact CE2-CB 4.41Å; Y143-E151 HydrophobicContact CG-CB 4.12Å; K148-E151 WeakPolarHBondContact CA-OE2 3.2Å; K148-E151 VanDerWaalsContact CB-OE2 3.31Å; K148-E151 WeakPolarHBondContact CB-OE2 3.41Å; K148-E151 WeakPolarHBondContact CD-OE1 3.44Å; K148-E151 WeakPolarHBondContact CG-OE1 3.42Å; K148-E151 IonicContact NZ-OE1 3.34Å; K148-E151 PolarHBondContact NZ-OE1 3.37Å; E151-C155 PolarHBondContact O-N 3.07Å; E151-C155 VanDerWaalsContact O-N 3.16Å; E151-C155 PolarHBondContact O-SG 3.17Å
152A96.1Very high94.9Very high0 Ų063.9 Ų63.90%031%0.307CS..Hα-helixtrans-67.5-42.6170.900000111.6G140 F144 K148 Y149 D150 E154 C155 Y156G140-A152 WeakPolarHBondContact O-CB 3.43Å; F144-A152 HydrophobicContact CB-CB 4.14Å; K148-A152 WeakPolarHBondContact O-CB 3.36Å; K148-A152 PolarHBondContact O-N 2.78Å; K148-A152 VanDerWaalsContact O-N 3.09Å; Y149-A152 WeakPolarHBondContact O-CB 3.46Å; Y149-A152 PolarHBondContact O-N 2.79Å; D150-A152 VanDerWaalsContact C-N 3.3Å; D150-A152 PolarHBondContact O-N 3.14Å; A152-E154 VanDerWaalsContact C-N 3.33Å; A152-E154 PolarHBondContact O-N 3.31Å; A152-C155 PolarHBondContact O-N 3.14Å; A152-C155 VanDerWaalsContact O-N 3.13Å; A152-Y156 HydrophobicContact CB-CD2 4.44Å; A152-Y156 HydrophobicContact CB-CE2 3.89Å; A152-Y156 WeakPolarHBondContact O-CD2 3.2Å; A152-Y156 VanDerWaalsContact O-CG 3.31Å; A152-Y156 PolarHBondContact O-N 3.39Å
153I96.8Very high94.6Very high14 Ų1457.7 Ų57.77%0.07228%0.281CS..Hα-helixtrans-59.9-41.8176.2-75.1158.2000111.4Y149 D150 T157 R173 A176 Y177 L180Y149-I153 WeakPolarHBondContact O-CD1 3.48Å; Y149-I153 VanDerWaalsContact O-CG1 3.28Å; Y149-I153 WeakPolarHBondContact O-CG1 3.48Å; Y149-I153 PolarHBondContact O-N 3.44Å; D150-I153 WeakPolarHBondContact O-CB 3.24Å; D150-I153 PolarHBondContact O-N 3.39Å; I153-T157 WeakPolarHBondContact O-CB 3.4Å; I153-T157 PolarHBondContact O-N 3.2Å; I153-T157 PolarHBondContact O-OG1 2.96Å; I153-R173 HydrophobicContact CB-CG 4.41Å; I153-R173 HydrophobicContact CG1-CG 4.12Å; I153-R173 HydrophobicContact CG2-CG 4.17Å; I153-A176 HydrophobicContact CD1-CB 3.91Å; I153-A176 HydrophobicContact CG1-CB 3.58Å; I153-Y177 HydrophobicContact CD1-CD1 3.6Å; I153-Y177 HydrophobicContact CD1-CE1 3.57Å; I153-Y177 HydrophobicContact CD1-CG 4.2Å; I153-Y177 HydrophobicContact CG1-CD1 4.44Å; I153-Y177 HydrophobicContact CG1-CE1 4.25Å; I153-Y177 HydrophobicContact CG2-CE1 4.11Å; I153-Y177 HydrophobicContact CG2-CE2 4.4Å; I153-Y177 WeakPolarHBondContact CG2-OH 3.41Å; I153-L180 HydrophobicContact CD1-CD1 3.55Å
154E96Very high94.3Very high107 Ų10757.4 Ų57.450%0.529%0.286SS..Hα-helixtrans-59.2-47.7171.2-82.6-163.6-144.500112.3D150 A152 Y156 T157 K158D150-E154 PolarHBondContact O-N 3.33Å; A152-E154 VanDerWaalsContact C-N 3.33Å; A152-E154 PolarHBondContact O-N 3.31Å; E154-Y156 PolarHBondContact O-N 3.17Å; E154-T157 PolarHBondContact O-N 2.97Å; E154-K158 WeakPolarHBondContact O-CB 3.27Å; E154-K158 WeakPolarHBondContact O-CD 3.25Å; E154-K158 WeakPolarHBondContact O-CG 3.28Å; E154-K158 PolarHBondContact O-N 3.28Å; E154-K158 IonicContact OE2-NZ 2.68Å; E154-K158 PolarHBondContact OE2-NZ 2.96Å
155C95.1Very high94Very high9 Ų962 Ų626%0.06130%0.303CS..Hα-helixtrans-65.1-39.6-178.5-68.10000112.2Y143 E151 A152 G159Y143-C155 VanDerWaalsContact CE2-SG 3.59Å; E151-C155 PolarHBondContact O-N 3.07Å; E151-C155 VanDerWaalsContact O-N 3.16Å; E151-C155 PolarHBondContact O-SG 3.17Å; A152-C155 PolarHBondContact O-N 3.14Å; A152-C155 VanDerWaalsContact O-N 3.13Å; C155-G159 PolarHBondContact O-N 3.21Å
156Y96.8Very high93.7Very high3 Ų354.5 Ų54.51%0.01227%0.272CS..Hα-helixtrans-67.5-39.8174.4-59.3-46.7000111.8G140 N141 A152 E154 G159 M160 L169 N172 R173 A176G140-Y156 PolarHBondContact O-OH 3.34Å; N141-Y156 PolarHBondContact N-OH 2.91Å; N141-Y156 PolarHBondContact OD1-OH 2.97Å; A152-Y156 HydrophobicContact CB-CD2 4.44Å; A152-Y156 HydrophobicContact CB-CE2 3.89Å; A152-Y156 WeakPolarHBondContact O-CD2 3.2Å; A152-Y156 VanDerWaalsContact O-CG 3.31Å; A152-Y156 PolarHBondContact O-N 3.39Å; E154-Y156 PolarHBondContact O-N 3.17Å; Y156-G159 CarbonylContact O-C 3.45Å; Y156-G159 WeakPolarHBondContact O-CA 3.4Å; Y156-G159 PolarHBondContact O-N 3.18Å; Y156-G159 VanDerWaalsContact O-N 3.13Å; Y156-M160 WeakPolarHBondContact O-CG 3.43Å; Y156-M160 PolarHBondContact O-N 3.47Å; Y156-L169 HydrophobicContact CD1-CD2 4.16Å; Y156-N172 HydrophobicContact CD1-CB 4.02Å; Y156-N172 HydrophobicContact CD2-CB 4.28Å; Y156-N172 HydrophobicContact CE1-CB 3.69Å; Y156-N172 HydrophobicContact CE2-CB 3.97Å; Y156-N172 HydrophobicContact CG-CB 4.32Å; Y156-R173 HydrophobicContact CD2-CB 4.12Å; Y156-R173 HydrophobicContact CG-CB 4.4Å; Y156-A176 HydrophobicContact CE2-CB 4.48Å
157T96.1Very high93.6Very high42 Ų4249.8 Ų49.826%0.25825%0.252SS..Hα-helixtrans-63.9-49.2177.8-56.40000111.2I153 E154 G159 M160 D161 R173I153-T157 WeakPolarHBondContact O-CB 3.4Å; I153-T157 PolarHBondContact O-N 3.2Å; I153-T157 PolarHBondContact O-OG1 2.96Å; E154-T157 PolarHBondContact O-N 2.97Å; T157-G159 PolarHBondContact O-N 3.07Å; T157-G159 VanDerWaalsContact O-N 3.15Å; T157-M160 WeakPolarHBondContact O-CA 3.27Å; T157-M160 WeakPolarHBondContact O-CB 3.47Å; T157-M160 PolarHBondContact O-N 3.12Å; T157-D161 VanDerWaalsContact O-CG 3.31Å; T157-D161 PolarHBondContact O-N 3.15Å; T157-R173 VanDerWaalsContact OG1-CD 3.25Å; T157-R173 WeakPolarHBondContact OG1-CD 3.4Å; T157-R173 PolarHBondContact OG1-NH1 3.41Å
158K94.2Very high93.7Very high105 Ų10550.2 Ų50.246%0.45725%0.247SC..Hα-helixtrans-60.1-25.1173.4-69.2162.6-179.4170.10112.6L136 E154L136-K158 HydrophobicContact CD1-CB 4.22Å; L136-K158 WeakPolarHBondContact CD1-O 3.47Å; E154-K158 WeakPolarHBondContact O-CB 3.27Å; E154-K158 WeakPolarHBondContact O-CD 3.25Å; E154-K158 WeakPolarHBondContact O-CG 3.28Å; E154-K158 PolarHBondContact O-N 3.28Å; E154-K158 IonicContact OE2-NZ 2.68Å; E154-K158 PolarHBondContact OE2-NZ 2.96Å
159G93.7Very high93.6Very high0 Ų045.8 Ų45.80%023%0.228CC..Hα-helixtrans-73.5-41.7170.700000113C155 Y156 T157 D161 A162 D163 L169C155-G159 PolarHBondContact O-N 3.21Å; Y156-G159 CarbonylContact O-C 3.45Å; Y156-G159 WeakPolarHBondContact O-CA 3.4Å; Y156-G159 PolarHBondContact O-N 3.18Å; Y156-G159 VanDerWaalsContact O-N 3.13Å; T157-G159 PolarHBondContact O-N 3.07Å; T157-G159 VanDerWaalsContact O-N 3.15Å; G159-D161 VanDerWaalsContact C-N 3.3Å; G159-D161 PolarHBondContact O-N 3.42Å; G159-A162 PolarHBondContact O-N 3.39Å; G159-D163 PolarHBondContact O-N 3.4Å; G159-L169 VanDerWaalsContact C-CD1 3.46Å; G159-L169 WeakPolarHBondContact O-CD1 3.47Å
160M93.1Very high93.7Very high27 Ų2742.9 Ų42.913%0.13322%0.217CC..Hα-helixtrans-65.7-33.5174.9-65168.763.300112Y156 T157 A162 D163 P164 L169 P170 R173 L192Y156-M160 WeakPolarHBondContact O-CG 3.43Å; Y156-M160 PolarHBondContact O-N 3.47Å; T157-M160 WeakPolarHBondContact O-CA 3.27Å; T157-M160 WeakPolarHBondContact O-CB 3.47Å; T157-M160 PolarHBondContact O-N 3.12Å; M160-A162 PolarHBondContact O-N 3.1Å; M160-D163 CarbonylContact O-C 3.6Å; M160-D163 PolarHBondContact O-N 3.46Å; M160-P164 WeakPolarHBondContact O-CA 3.23Å; M160-L169 HydrophobicContact CG-CB 3.63Å; M160-L169 HydrophobicContact CG-CD1 4.34Å; M160-L169 HydrophobicContact CG-CG 4.49Å; M160-P170 HydrophobicContact CE-CB 3.86Å; M160-P170 HydrophobicContact CE-CG 4.3Å; M160-P170 HydrophobicContact SD-CB 4.05Å; M160-R173 VanDerWaalsContact SD-CZ 3.59Å; M160-L192 HydrophobicContact CE-CD2 3.5Å
161D91.4Very high93.7Very high125 Ų12539.2 Ų39.267%0.66820%0.197SC*.THydrogen-bonded Turntrans-65.9-18.1172.2-57.8-36.7000112.9T157 G159T157-D161 VanDerWaalsContact O-CG 3.31Å; T157-D161 PolarHBondContact O-N 3.15Å; G159-D161 VanDerWaalsContact C-N 3.3Å; G159-D161 PolarHBondContact O-N 3.42Å
162A90.4Very high93.8Very high4 Ų437.6 Ų37.63%0.03319%0.19CC..THydrogen-bonded Turntrans-102.8-25.4178.800000113.7D129 K132 A133 G159 M160D129-A162 HydrophobicContact CB-CB 4.45Å; D129-A162 PolarHBondContact N-O 3.36Å; K132-A162 HydrophobicContact CD-CB 3.97Å; K132-A162 HydrophobicContact CG-CB 4.32Å; A133-A162 HydrophobicContact CB-CB 4.11Å; G159-A162 PolarHBondContact O-N 3.39Å; M160-A162 PolarHBondContact O-N 3.1Å
163D90.4Very high93.8Very high13 Ų1339.3 Ų39.37%0.0720%0.197CC..  trans-143.684.6175.4-175.1-6.3000109.8V128 S130 A133 G159 M160 Y165 N166V128-D163 HydrophobicContact CG1-CB 4.15Å; S130-D163 PolarHBondContact OG-OD2 3.45Å; A133-D163 HydrophobicContact CB-CB 3.28Å; G159-D163 PolarHBondContact O-N 3.4Å; M160-D163 CarbonylContact O-C 3.6Å; M160-D163 PolarHBondContact O-N 3.46Å; D163-Y165 PolarHBondContact O-N 3Å; D163-Y165 PolarHBondContact OD1-N 2.81Å; D163-N166 HydrophobicContact CB-CB 4.29Å; D163-N166 WeakPolarHBondContact OD2-CB 3.36Å; D163-N166 PolarHBondContact OD2-ND2 3.3Å
164P90.1Very high93.8Very high58 Ų5838.7 Ų38.738%0.37719%0.194SC..THydrogen-bonded Turntrans-67.6-18.3-175.8-23.134.9000114.4V126 M160 L196V126-P164 HydrophobicContact CG1-CG 4.48Å; M160-P164 WeakPolarHBondContact O-CA 3.23Å; P164-L196 WeakPolarHBondContact O-CD1 3.46Å
165Y89.7Confident93.8Very high151 Ų15134.4 Ų34.459%0.59218%0.175SC*.THydrogen-bonded Turntrans-89.4-7.7-172.8-60.7-78.5000113.3V128 D163 P167V128-Y165 HydrophobicContact CG2-CD2 3.98Å; V128-Y165 HydrophobicContact CG2-CE2 3.96Å; D163-Y165 PolarHBondContact O-N 3Å; D163-Y165 PolarHBondContact OD1-N 2.81Å; Y165-P167 WeakPolarHBondContact O-CD 3.2Å
166N90.1Very high93.9Very high27 Ų2734 Ų3414%0.14417%0.173CC..  trans-86.9111.5-169.4-167.7-40.5000112.9D163 V168 L169 P170D163-N166 HydrophobicContact CB-CB 4.29Å; D163-N166 WeakPolarHBondContact OD2-CB 3.36Å; D163-N166 PolarHBondContact OD2-ND2 3.3Å; N166-V168 VanDerWaalsContact C-N 3.26Å; N166-V168 PolarHBondContact O-N 3.42Å; N166-V168 WeakPolarHBondContact OD1-CB 3.33Å; N166-V168 PolarHBondContact OD1-N 3.38Å; N166-V168 VanDerWaalsContact OD1-N 3.15Å; N166-L169 HydrophobicContact CB-CD1 4.14Å; N166-P170 WeakPolarHBondContact O-CD 3.48Å
167P92.4Very high93.9Very high24 Ų2435.7 Ų35.716%0.15618%0.179CC..THydrogen-bonded Turntrans-73.3-14-175.932.2-38.8000113.9Y165 T171 A193 L196 Y200Y165-P167 WeakPolarHBondContact O-CD 3.2Å; P167-T171 WeakPolarHBondContact O-CB 3.21Å; P167-T171 PolarHBondContact O-N 3.35Å; P167-T171 PolarHBondContact O-OG1 2.9Å; P167-A193 HydrophobicContact CB-CB 4.37Å; P167-L196 HydrophobicContact CB-CB 4.16Å; P167-Y200 HydrophobicContact CB-CD1 3.95Å; P167-Y200 HydrophobicContact CB-CE1 4.44Å; P167-Y200 HydrophobicContact CB-CG 4.49Å; P167-Y200 HydrophobicContact CG-CD1 4.39Å
168V94.1Very high93.9Very high46 Ų4636.9 Ų36.928%0.27918%0.181SC..Hα-helixtrans-73-40.6-177.8-173.90000110.8K137 N166 T171 N172K137-V168 HydrophobicContact CD-CG1 4.48Å; N166-V168 VanDerWaalsContact C-N 3.26Å; N166-V168 PolarHBondContact O-N 3.42Å; N166-V168 WeakPolarHBondContact OD1-CB 3.33Å; N166-V168 PolarHBondContact OD1-N 3.38Å; N166-V168 VanDerWaalsContact OD1-N 3.15Å; V168-T171 PolarHBondContact O-N 3.44Å; V168-N172 WeakPolarHBondContact O-CB 3.47Å; V168-N172 PolarHBondContact O-N 3.01Å; V168-N172 PolarHBondContact O-OD1 3.05Å
169L94.4Very high94Very high0 Ų039.3 Ų39.30%019%0.187CC..Hα-helixtrans-59-55.3-179.5-81.3163.3000113.8A133 K137 Y156 G159 M160 N166 T171 N172 R173A133-L169 HydrophobicContact CB-CD1 4.18Å; K137-L169 HydrophobicContact CB-CD2 3.83Å; K137-L169 HydrophobicContact CG-CD2 4.23Å; Y156-L169 HydrophobicContact CD1-CD2 4.16Å; G159-L169 VanDerWaalsContact C-CD1 3.46Å; G159-L169 WeakPolarHBondContact O-CD1 3.47Å; M160-L169 HydrophobicContact CG-CB 3.63Å; M160-L169 HydrophobicContact CG-CD1 4.34Å; M160-L169 HydrophobicContact CG-CG 4.49Å; N166-L169 HydrophobicContact CB-CD1 4.14Å; L169-T171 VanDerWaalsContact C-N 3.29Å; L169-T171 PolarHBondContact O-N 3.27Å; L169-N172 PolarHBondContact O-N 2.82Å; L169-R173 PolarHBondContact O-N 3.22Å
170P96.3Very high94Very high0 Ų041.6 Ų41.60%020%0.2CC..Hα-helixtrans-63.6-32.5175.422.9-30.9000112.2M160 N166 N172 R173 A174 D189 L192 A193 L196M160-P170 HydrophobicContact CE-CB 3.86Å; M160-P170 HydrophobicContact CE-CG 4.3Å; M160-P170 HydrophobicContact SD-CB 4.05Å; N166-P170 WeakPolarHBondContact O-CD 3.48Å; P170-N172 PolarHBondContact O-N 3.08Å; P170-R173 PolarHBondContact O-N 3Å; P170-A174 WeakPolarHBondContact O-CB 3.5Å; P170-A174 PolarHBondContact O-N 3.41Å; P170-D189 HydrophobicContact CB-CB 4.43Å; P170-L192 HydrophobicContact CB-CD2 4.29Å; P170-A193 HydrophobicContact CG-CB 4.04Å; P170-L196 HydrophobicContact CG-CD1 4.4Å
171T96.1Very high94.1Very high3 Ų348.1 Ų48.12%0.01823%0.227CC..Hα-helixtrans-68.4-34.1176.3-56.40000112.6P167 V168 L169 S175 A193 Y200 K202 R206P167-T171 WeakPolarHBondContact O-CB 3.21Å; P167-T171 PolarHBondContact O-N 3.35Å; P167-T171 PolarHBondContact O-OG1 2.9Å; V168-T171 PolarHBondContact O-N 3.44Å; L169-T171 VanDerWaalsContact C-N 3.29Å; L169-T171 PolarHBondContact O-N 3.27Å; T171-S175 PolarHBondContact O-N 3.45Å; T171-S175 PolarHBondContact O-OG 2.89Å; T171-A193 WeakPolarHBondContact OG1-CB 3.46Å; T171-Y200 HydrophobicContact CG2-CE1 3.99Å; T171-Y200 WeakPolarHBondContact OG1-CE1 3.36Å; T171-K202 HydrophobicContact CG2-CB 4.46Å; T171-R206 HydrophobicContact CG2-CG 4.15Å
172N96Very high94.3Very high32 Ų3246.6 Ų46.617%0.17122%0.215CC..Hα-helixtrans-72.4-36.4172.3-74.712.7000111.5N141 Y156 V168 L169 P170 S175 A176N141-N172 PolarHBondContact OD1-ND2 3.33Å; N141-N172 VanDerWaalsContact OD1-ND2 3.08Å; Y156-N172 HydrophobicContact CD1-CB 4.02Å; Y156-N172 HydrophobicContact CD2-CB 4.28Å; Y156-N172 HydrophobicContact CE1-CB 3.69Å; Y156-N172 HydrophobicContact CE2-CB 3.97Å; Y156-N172 HydrophobicContact CG-CB 4.32Å; V168-N172 WeakPolarHBondContact O-CB 3.47Å; V168-N172 PolarHBondContact O-N 3.01Å; V168-N172 PolarHBondContact O-OD1 3.05Å; L169-N172 PolarHBondContact O-N 2.82Å; P170-N172 PolarHBondContact O-N 3.08Å; N172-S175 WeakPolarHBondContact O-CB 3.46Å; N172-S175 PolarHBondContact O-N 3.08Å; N172-A176 PolarHBondContact O-N 3.24Å; N172-A176 VanDerWaalsContact O-N 3.11Å
173R96.6Very high94.5Very high36 Ų3648.6 Ų48.614%0.13622%0.222CC..Hα-helixtrans-65.9-44.1173.3-162.7174.569.8-176.1-2.1112.3I153 Y156 T157 M160 L169 P170 S175 A176 Y177 D189I153-R173 HydrophobicContact CB-CG 4.41Å; I153-R173 HydrophobicContact CG1-CG 4.12Å; I153-R173 HydrophobicContact CG2-CG 4.17Å; Y156-R173 HydrophobicContact CD2-CB 4.12Å; Y156-R173 HydrophobicContact CG-CB 4.4Å; T157-R173 VanDerWaalsContact OG1-CD 3.25Å; T157-R173 WeakPolarHBondContact OG1-CD 3.4Å; T157-R173 PolarHBondContact OG1-NH1 3.41Å; M160-R173 VanDerWaalsContact SD-CZ 3.59Å; L169-R173 PolarHBondContact O-N 3.22Å; P170-R173 PolarHBondContact O-N 3Å; R173-S175 VanDerWaalsContact C-N 3.26Å; R173-S175 PolarHBondContact O-N 3.25Å; R173-A176 WeakPolarHBondContact O-CB 3.49Å; R173-A176 PolarHBondContact O-N 2.78Å; R173-Y177 HydrophobicContact CG-CD2 4.08Å; R173-Y177 HydrophobicContact CG-CE2 3.67Å; R173-Y177 WeakPolarHBondContact O-CD2 3.43Å; R173-Y177 PolarHBondContact O-N 3.35Å; R173-D189 WeakPolarHBondContact CB-OD2 3.16Å; R173-D189 WeakPolarHBondContact CG-OD2 3.22Å; R173-D189 IonicContact CZ-OD1 3.34Å; R173-D189 IonicContact CZ-OD2 2.78Å; R173-D189 IonicContact NE-OD1 2.72Å; R173-D189 PolarHBondContact NE-OD1 3.36Å; R173-D189 IonicContact NE-OD2 2.67Å; R173-D189 PolarHBondContact NE-OD2 3.32Å; R173-D189 IonicContact NH2-OD1 2.66Å; R173-D189 PolarHBondContact NH2-OD1 3.25Å; R173-D189 IonicContact NH2-OD2 2.75Å
174A96.7Very high94.7Very high1 Ų150.9 Ų50.91%0.00824%0.243CC..Hα-helixtrans-55.2-41.6169.400000112P170 A176 Y177 F178 A186 D189 C190P170-A174 WeakPolarHBondContact O-CB 3.5Å; P170-A174 PolarHBondContact O-N 3.41Å; A174-A176 VanDerWaalsContact C-N 3.29Å; A174-A176 PolarHBondContact O-N 3.01Å; A174-Y177 PolarHBondContact O-N 3.1Å; A174-F178 WeakPolarHBondContact O-CB 3.35Å; A174-F178 PolarHBondContact O-N 3.3Å; A174-A186 HydrophobicContact CB-CB 4.12Å; A174-A186 WeakPolarHBondContact O-CB 2.96Å; A174-D189 HydrophobicContact CB-CB 3.72Å; A174-C190 VanDerWaalsContact CB-SG 3.54Å
175S95.8Very high95Very high16 Ų1650.9 Ų50.911%0.11224%0.242CC..Hα-helixtrans-64.1-32.8176.9-60.60000112.5T171 N172 R173 R179 R206T171-S175 PolarHBondContact O-N 3.45Å; T171-S175 PolarHBondContact O-OG 2.89Å; N172-S175 WeakPolarHBondContact O-CB 3.46Å; N172-S175 PolarHBondContact O-N 3.08Å; R173-S175 VanDerWaalsContact C-N 3.26Å; R173-S175 PolarHBondContact O-N 3.25Å; S175-R179 WeakPolarHBondContact O-CG 3.43Å; S175-R179 PolarHBondContact O-N 3.06Å; S175-R206 WeakPolarHBondContact OG-CD 3.48Å; S175-R206 PolarHBondContact OG-NE 2.88Å
176A96.7Very high95.3Very high0 Ų043.8 Ų43.80%022%0.215CC..Hα-helixtrans-73.9-44.5172.500000112.3F144 I153 Y156 N172 R173 A174 F178 R179 L180F144-A176 HydrophobicContact CD2-CB 4.07Å; F144-A176 HydrophobicContact CE2-CB 4.26Å; I153-A176 HydrophobicContact CD1-CB 3.91Å; I153-A176 HydrophobicContact CG1-CB 3.58Å; Y156-A176 HydrophobicContact CE2-CB 4.48Å; N172-A176 PolarHBondContact O-N 3.24Å; N172-A176 VanDerWaalsContact O-N 3.11Å; R173-A176 WeakPolarHBondContact O-CB 3.49Å; R173-A176 PolarHBondContact O-N 2.78Å; A174-A176 VanDerWaalsContact C-N 3.29Å; A174-A176 PolarHBondContact O-N 3.01Å; A176-F178 VanDerWaalsContact C-N 3.26Å; A176-F178 PolarHBondContact O-N 3.08Å; A176-R179 WeakPolarHBondContact O-CB 3.46Å; A176-R179 PolarHBondContact O-N 3.2Å; A176-R179 VanDerWaalsContact O-N 3.12Å; A176-L180 PolarHBondContact O-N 3.41Å; A176-L180 VanDerWaalsContact O-N 3.07Å
177Y97.2Very high95.6Very high40 Ų4043.4 Ų43.416%0.15721%0.212CC..Hα-helixtrans-59.5-36.4173-74.5-52.2000112.6I153 R173 A174 L180 K181 K182 V185 D189I153-Y177 HydrophobicContact CD1-CD1 3.6Å; I153-Y177 HydrophobicContact CD1-CE1 3.57Å; I153-Y177 HydrophobicContact CD1-CG 4.2Å; I153-Y177 HydrophobicContact CG1-CD1 4.44Å; I153-Y177 HydrophobicContact CG1-CE1 4.25Å; I153-Y177 HydrophobicContact CG2-CE1 4.11Å; I153-Y177 HydrophobicContact CG2-CE2 4.4Å; I153-Y177 WeakPolarHBondContact CG2-OH 3.41Å; R173-Y177 HydrophobicContact CG-CD2 4.08Å; R173-Y177 HydrophobicContact CG-CE2 3.67Å; R173-Y177 WeakPolarHBondContact O-CD2 3.43Å; R173-Y177 PolarHBondContact O-N 3.35Å; A174-Y177 PolarHBondContact O-N 3.1Å; Y177-L180 CarbonylContact O-C 3.33Å; Y177-L180 PolarHBondContact O-N 2.59Å; Y177-K181 PolarHBondContact O-N 2.71Å; Y177-K181 VanDerWaalsContact O-N 3.17Å; Y177-K182 HydrophobicContact CD1-CB 4.09Å; Y177-K182 HydrophobicContact CD1-CD 3.82Å; Y177-K182 HydrophobicContact CE1-CD 4.26Å; Y177-K182 PolarHBondContact O-N 3.17Å; Y177-V185 HydrophobicContact CD1-CB 4.45Å; Y177-V185 HydrophobicContact CD1-CG1 4.29Å; Y177-V185 HydrophobicContact CD2-CB 4.18Å; Y177-V185 HydrophobicContact CD2-CG1 3.63Å; Y177-V185 HydrophobicContact CE1-CG1 4.18Å; Y177-V185 HydrophobicContact CE2-CB 4.46Å; Y177-V185 HydrophobicContact CE2-CG1 3.48Å; Y177-V185 VanDerWaalsContact CE2-CG1 3.48Å; Y177-V185 HydrophobicContact CG-CB 4.18Å; Y177-V185 HydrophobicContact CG-CG1 4.04Å; Y177-D189 WeakPolarHBondContact CD2-OD2 3.44Å; Y177-D189 WeakPolarHBondContact CE2-OD2 3.4Å
178F96.1Very high95.8Very high67 Ų6745.1 Ų45.129%0.29422%0.224SC..Hα-helixtrans-62.4-41.8174-170.9-85.9000112.2A174 A176 L180 K181 F183 A186 A209 A210 A213A174-F178 WeakPolarHBondContact O-CB 3.35Å; A174-F178 PolarHBondContact O-N 3.3Å; A176-F178 VanDerWaalsContact C-N 3.26Å; A176-F178 PolarHBondContact O-N 3.08Å; F178-L180 VanDerWaalsContact C-N 3.29Å; F178-L180 PolarHBondContact O-N 2.7Å; F178-K181 PolarHBondContact O-N 2.94Å; F178-F183 HydrophobicContact CD1-CE1 4.45Å; F178-F183 AromaticContact CD2-CD1 3.58Å; F178-F183 HydrophobicContact CD2-CD1 3.58Å; F178-F183 AromaticContact CD2-CE1 3.75Å; F178-F183 HydrophobicContact CD2-CE1 3.75Å; F178-F183 HydrophobicContact CE1-CE1 4.41Å; F178-F183 AromaticContact CE2-CD1 3.75Å; F178-F183 HydrophobicContact CE2-CD1 3.75Å; F178-F183 AromaticContact CE2-CE1 3.68Å; F178-F183 HydrophobicContact CE2-CE1 3.68Å; F178-F183 HydrophobicContact CG-CD1 4.24Å; F178-F183 HydrophobicContact CG-CE1 4.14Å; F178-F183 HydrophobicContact CZ-CE1 4.03Å; F178-A186 HydrophobicContact CB-CB 4.49Å; F178-A209 HydrophobicContact CE2-CB 4Å; F178-A209 HydrophobicContact CZ-CB 4.28Å; F178-A210 HydrophobicContact CD2-CB 4.37Å; F178-A213 HydrophobicContact CE2-CB 4.39Å
179R96Very high95.8Very high155 Ų15543.3 Ų43.359%0.58521%0.213SC*.Hα-helixtrans-64-34.3173.8-69.4-70-176.2-163.8-0.5112.4F144 Y149 S175 A176 K181F144-R179 HydrophobicContact CE2-CG 3.98Å; F144-R179 HydrophobicContact CZ-CG 4.09Å; Y149-R179 HydrophobicContact CD1-CB 3.85Å; Y149-R179 HydrophobicContact CD1-CG 4.2Å; Y149-R179 HydrophobicContact CD2-CB 4.12Å; Y149-R179 HydrophobicContact CE1-CB 3.63Å; Y149-R179 HydrophobicContact CE1-CG 3.63Å; Y149-R179 HydrophobicContact CE2-CB 3.91Å; Y149-R179 HydrophobicContact CG-CB 4.09Å; S175-R179 WeakPolarHBondContact O-CG 3.43Å; S175-R179 PolarHBondContact O-N 3.06Å; A176-R179 WeakPolarHBondContact O-CB 3.46Å; A176-R179 PolarHBondContact O-N 3.2Å; A176-R179 VanDerWaalsContact O-N 3.12Å; R179-K181 PolarHBondContact O-N 3.28Å
180L95Very high95.9Very high49 Ų4943.3 Ų43.326%0.25721%0.213SC..THydrogen-bonded Turntrans-79.26.7172.4-64.9175.7000114.3Y149 D150 I153 A176 Y177 F178 K182Y149-L180 HydrophobicContact CD2-CD2 4.06Å; Y149-L180 HydrophobicContact CD2-CG 4.49Å; Y149-L180 HydrophobicContact CG-CD2 4.4Å; Y149-L180 HydrophobicContact CG-CG 4.43Å; D150-L180 VanDerWaalsContact OD1-CD1 3.27Å; D150-L180 WeakPolarHBondContact OD1-CD1 3.22Å; I153-L180 HydrophobicContact CD1-CD1 3.55Å; A176-L180 PolarHBondContact O-N 3.41Å; A176-L180 VanDerWaalsContact O-N 3.07Å; Y177-L180 CarbonylContact O-C 3.33Å; Y177-L180 PolarHBondContact O-N 2.59Å; F178-L180 VanDerWaalsContact C-N 3.29Å; F178-L180 PolarHBondContact O-N 2.7Å; L180-K182 HydrophobicContact CB-CD 4Å; L180-K182 HydrophobicContact CB-CG 4.18Å; L180-K182 HydrophobicContact CD1-CD 4.27Å; L180-K182 PolarHBondContact O-N 3.05Å; L180-K182 VanDerWaalsContact O-N 3.11Å
181K94.8Very high95.9Very high164 Ų16446.2 Ų46.271%0.71323%0.229SC*.THydrogen-bonded Turntrans58.415.2-175.2-53.3-179.8-178.8178.40114.9Y177 F178 R179 F183Y177-K181 PolarHBondContact O-N 2.71Å; Y177-K181 VanDerWaalsContact O-N 3.17Å; F178-K181 PolarHBondContact O-N 2.94Å; R179-K181 PolarHBondContact O-N 3.28Å; K181-F183 HydrophobicContact CB-CE2 3.95Å; K181-F183 HydrophobicContact CB-CZ 3.87Å; K181-F183 HydrophobicContact CG-CZ 4.09Å; K181-F183 VanDerWaalsContact O-CD2 3.31Å; K181-F183 WeakPolarHBondContact O-CD2 3.28Å; K181-F183 PolarHBondContact O-N 3.3Å
182K95.1Very high95.9Very high93 Ų9349.5 Ų49.540%0.40425%0.246SC..  trans-82.254.6178-67.3169.2-178.8170.90110.2D150 Y177 L180 A184 V185 A186D150-K182 IonicContact OD1-NZ 3.22Å; D150-K182 PolarHBondContact OD1-NZ 2.99Å; Y177-K182 HydrophobicContact CD1-CB 4.09Å; Y177-K182 HydrophobicContact CD1-CD 3.82Å; Y177-K182 HydrophobicContact CE1-CD 4.26Å; Y177-K182 PolarHBondContact O-N 3.17Å; L180-K182 HydrophobicContact CB-CD 4Å; L180-K182 HydrophobicContact CB-CG 4.18Å; L180-K182 HydrophobicContact CD1-CD 4.27Å; L180-K182 PolarHBondContact O-N 3.05Å; L180-K182 VanDerWaalsContact O-N 3.11Å; K182-A184 PolarHBondContact O-N 3.46Å; K182-V185 HydrophobicContact CB-CG2 4.45Å; K182-V185 PolarHBondContact O-N 2.91Å; K182-V185 VanDerWaalsContact O-N 3.09Å; K182-A186 PolarHBondContact O-N 2.91Å
183F95.7Very high95.8Very high45 Ų4548 Ų4820%0.19724%0.238CC..Hα-helixtrans-59.4-36.3-165.4-55.3-59.7000114.8F178 K181 V185 A186 E187 A213 L214F178-F183 HydrophobicContact CD1-CE1 4.45Å; F178-F183 AromaticContact CD2-CD1 3.58Å; F178-F183 HydrophobicContact CD2-CD1 3.58Å; F178-F183 AromaticContact CD2-CE1 3.75Å; F178-F183 HydrophobicContact CD2-CE1 3.75Å; F178-F183 HydrophobicContact CE1-CE1 4.41Å; F178-F183 AromaticContact CE2-CD1 3.75Å; F178-F183 HydrophobicContact CE2-CD1 3.75Å; F178-F183 AromaticContact CE2-CE1 3.68Å; F178-F183 HydrophobicContact CE2-CE1 3.68Å; F178-F183 HydrophobicContact CG-CD1 4.24Å; F178-F183 HydrophobicContact CG-CE1 4.14Å; F178-F183 HydrophobicContact CZ-CE1 4.03Å; K181-F183 HydrophobicContact CB-CE2 3.95Å; K181-F183 HydrophobicContact CB-CZ 3.87Å; K181-F183 HydrophobicContact CG-CZ 4.09Å; K181-F183 VanDerWaalsContact O-CD2 3.31Å; K181-F183 WeakPolarHBondContact O-CD2 3.28Å; K181-F183 PolarHBondContact O-N 3.3Å; F183-V185 VanDerWaalsContact C-N 3.33Å; F183-V185 PolarHBondContact O-N 3.26Å; F183-A186 WeakPolarHBondContact O-CB 3.33Å; F183-A186 PolarHBondContact O-N 3.27Å; F183-E187 PolarHBondContact O-N 3.41Å; F183-A213 HydrophobicContact CD1-CB 3.8Å; F183-A213 HydrophobicContact CD2-CB 3.89Å; F183-A213 HydrophobicContact CE1-CB 3.78Å; F183-A213 HydrophobicContact CE2-CB 3.86Å; F183-A213 HydrophobicContact CG-CB 3.86Å; F183-A213 HydrophobicContact CZ-CB 3.81Å; F183-L214 HydrophobicContact CB-CD1 4.02Å; F183-L214 HydrophobicContact CB-CD2 3.98Å; F183-L214 HydrophobicContact CB-CG 3.76Å
184A94.7Very high95.7Very high62 Ų6247.1 Ų47.151%0.51224%0.236SC..Hα-helixtrans-64.7-35.5177.600000112.8K182 E187 S188K182-A184 PolarHBondContact O-N 3.46Å; A184-E187 PolarHBondContact O-N 2.76Å; A184-S188 PolarHBondContact O-N 3.21Å; A184-S188 VanDerWaalsContact O-N 3.16Å; A184-S188 PolarHBondContact O-OG 3.34Å
185V95.2Very high95.6Very high58 Ų5851 Ų5135%0.35227%0.268SS..Hα-helixtrans-72.6-34.7176-168.50000110.6Y177 K182 F183 S188 D189Y177-V185 HydrophobicContact CD1-CB 4.45Å; Y177-V185 HydrophobicContact CD1-CG1 4.29Å; Y177-V185 HydrophobicContact CD2-CB 4.18Å; Y177-V185 HydrophobicContact CD2-CG1 3.63Å; Y177-V185 HydrophobicContact CE1-CG1 4.18Å; Y177-V185 HydrophobicContact CE2-CB 4.46Å; Y177-V185 HydrophobicContact CE2-CG1 3.48Å; Y177-V185 VanDerWaalsContact CE2-CG1 3.48Å; Y177-V185 HydrophobicContact CG-CB 4.18Å; Y177-V185 HydrophobicContact CG-CG1 4.04Å; K182-V185 HydrophobicContact CB-CG2 4.45Å; K182-V185 PolarHBondContact O-N 2.91Å; K182-V185 VanDerWaalsContact O-N 3.09Å; F183-V185 VanDerWaalsContact C-N 3.33Å; F183-V185 PolarHBondContact O-N 3.26Å; V185-S188 WeakPolarHBondContact CA-OG 3.47Å; V185-S188 PolarHBondContact O-N 2.76Å; V185-S188 PolarHBondContact O-OG 3.32Å; V185-D189 PolarHBondContact O-N 3.47Å
186A96.3Very high95.4Very high2 Ų253.1 Ų53.12%0.01728%0.278CS..Hα-helixtrans-64.6-37171.200000112.3A174 F178 K182 F183 C190 A210A174-A186 HydrophobicContact CB-CB 4.12Å; A174-A186 WeakPolarHBondContact O-CB 2.96Å; F178-A186 HydrophobicContact CB-CB 4.49Å; K182-A186 PolarHBondContact O-N 2.91Å; F183-A186 WeakPolarHBondContact O-CB 3.33Å; F183-A186 PolarHBondContact O-N 3.27Å; A186-C190 PolarHBondContact O-N 3.1Å; A186-C190 PolarHBondContact O-SG 3.02Å; A186-A210 HydrophobicContact CB-CB 4.3Å
187E96.7Very high95.1Very high19 Ų1954.6 Ų54.69%0.08929%0.288CS..Hα-helixtrans-62.1-45.5172.8-177.1175.4-173.900111.6F183 A184 C190 N191 R207 R211 K216F183-E187 PolarHBondContact O-N 3.41Å; A184-E187 PolarHBondContact O-N 2.76Å; E187-C190 PolarHBondContact O-N 3.44Å; E187-N191 VanDerWaalsContact O-CG 3.23Å; E187-N191 PolarHBondContact O-N 3.02Å; E187-N191 PolarHBondContact O-ND2 3.31Å; E187-R207 HydrophobicContact CG-CG 4.1Å; E187-R211 IonicContact OE1-CZ 3.77Å; E187-R211 VanDerWaalsContact OE1-CZ 3.28Å; E187-R211 IonicContact OE1-NE 3.83Å; E187-R211 PolarHBondContact OE1-NE 3.23Å; E187-R211 IonicContact OE1-NH2 3.61Å; E187-R211 PolarHBondContact OE1-NH2 2.93Å; E187-K216 VanDerWaalsContact CD-NZ 3.26Å; E187-K216 IonicContact OE1-NZ 3.32Å; E187-K216 PolarHBondContact OE1-NZ 3.44Å; E187-K216 IonicContact OE2-NZ 2.87Å; E187-K216 PolarHBondContact OE2-NZ 3.48Å
188S95.8Very high94.9Very high59 Ų5961.9 Ų61.941%0.41332%0.315SS..Hα-helixtrans-65.2-39.6177.349.90000113.4A184 V185 N191 L192A184-S188 PolarHBondContact O-N 3.21Å; A184-S188 VanDerWaalsContact O-N 3.16Å; A184-S188 PolarHBondContact O-OG 3.34Å; V185-S188 WeakPolarHBondContact CA-OG 3.47Å; V185-S188 PolarHBondContact O-N 2.76Å; V185-S188 PolarHBondContact O-OG 3.32Å; S188-N191 WeakPolarHBondContact O-CB 3.32Å; S188-N191 PolarHBondContact O-N 3.38Å; S188-L192 PolarHBondContact O-N 3.49Å
189D95.2Very high94.6Very high9 Ų962.6 Ų62.65%0.04833%0.328CS..Hα-helixtrans-66.4-37.2175.6-87.3-2.8000111.9P170 R173 A174 Y177 V185 L192 A193P170-D189 HydrophobicContact CB-CB 4.43Å; R173-D189 WeakPolarHBondContact CB-OD2 3.16Å; R173-D189 WeakPolarHBondContact CG-OD2 3.22Å; R173-D189 IonicContact CZ-OD1 3.34Å; R173-D189 IonicContact CZ-OD2 2.78Å; R173-D189 IonicContact NE-OD1 2.72Å; R173-D189 PolarHBondContact NE-OD1 3.36Å; R173-D189 IonicContact NE-OD2 2.67Å; R173-D189 PolarHBondContact NE-OD2 3.32Å; R173-D189 IonicContact NH2-OD1 2.66Å; R173-D189 PolarHBondContact NH2-OD1 3.25Å; R173-D189 IonicContact NH2-OD2 2.75Å; A174-D189 HydrophobicContact CB-CB 3.72Å; Y177-D189 WeakPolarHBondContact CD2-OD2 3.44Å; Y177-D189 WeakPolarHBondContact CE2-OD2 3.4Å; V185-D189 PolarHBondContact O-N 3.47Å; D189-L192 PolarHBondContact O-N 3.07Å; D189-A193 PolarHBondContact O-N 3.23Å
190C96.4Very high94.4Very high0 Ų057.4 Ų57.40%031%0.309CS..Hα-helixtrans-69.2-33.7173.7-62.90000112.3A174 A186 E187 A193 I194 R206 R207A174-C190 VanDerWaalsContact CB-SG 3.54Å; A186-C190 PolarHBondContact O-N 3.1Å; A186-C190 PolarHBondContact O-SG 3.02Å; E187-C190 PolarHBondContact O-N 3.44Å; C190-A193 PolarHBondContact O-N 2.88Å; C190-I194 WeakPolarHBondContact O-CB 3.46Å; C190-I194 VanDerWaalsContact O-CG1 3.3Å; C190-I194 WeakPolarHBondContact O-CG1 3.44Å; C190-I194 PolarHBondContact O-N 3.34Å; C190-R206 VanDerWaalsContact SG-CB 3.57Å; C190-R207 HydrophobicContact CB-CB 3.71Å; C190-R207 HydrophobicContact CB-CG 4.14Å
191N96.5Very high94.3Very high61 Ų6155.6 Ų55.633%0.32630%0.3SS..Hα-helixtrans-62.3-42.4172.6-71.2-24.4000111.6E187 S188 I194 A195 R207E187-N191 VanDerWaalsContact O-CG 3.23Å; E187-N191 PolarHBondContact O-N 3.02Å; E187-N191 PolarHBondContact O-ND2 3.31Å; S188-N191 WeakPolarHBondContact O-CB 3.32Å; S188-N191 PolarHBondContact O-N 3.38Å; N191-I194 PolarHBondContact O-N 2.55Å; N191-A195 WeakPolarHBondContact O-CB 3.24Å; N191-A195 PolarHBondContact O-N 2.9Å; N191-R207 WeakPolarHBondContact OD1-CD 3.34Å; N191-R207 PolarHBondContact OD1-NH1 3.48Å
192L95Very high94.2Very high71 Ų7153.9 Ų53.937%0.37229%0.293SS..Hα-helixtrans-62-45.7173.5177.659.8000111.6M160 P170 S188 D189 I194 A195 L196M160-L192 HydrophobicContact CE-CD2 3.5Å; P170-L192 HydrophobicContact CB-CD2 4.29Å; S188-L192 PolarHBondContact O-N 3.49Å; D189-L192 PolarHBondContact O-N 3.07Å; L192-I194 VanDerWaalsContact C-N 3.29Å; L192-I194 PolarHBondContact O-N 3.2Å; L192-A195 PolarHBondContact O-N 3.45Å; L192-A195 VanDerWaalsContact O-N 3.16Å; L192-L196 HydrophobicContact CD1-CD1 4.42Å; L192-L196 HydrophobicContact CD1-CG 4.36Å; L192-L196 HydrophobicContact CG-CD1 4.34Å; L192-L196 WeakPolarHBondContact O-CG 3.24Å; L192-L196 PolarHBondContact O-N 2.92Å
193A94.6Very high94.2Very high0 Ų049.4 Ų49.40%027%0.274CS..Hα-helixtrans-59.5-37.2176.900000113.3P167 P170 T171 D189 C190 S197 A203P167-A193 HydrophobicContact CB-CB 4.37Å; P170-A193 HydrophobicContact CG-CB 4.04Å; T171-A193 WeakPolarHBondContact OG1-CB 3.46Å; D189-A193 PolarHBondContact O-N 3.23Å; C190-A193 PolarHBondContact O-N 2.88Å; A193-S197 PolarHBondContact O-N 3.2Å; A193-A203 HydrophobicContact CB-CB 3.72Å
194I94.9Very high94.3Very high18 Ų1847.8 Ų47.89%0.09227%0.266CS..Hα-helixtrans-75.3-30.7177.1-70165.7000112C190 N191 L192 S197 R198 A203 Y204 R207C190-I194 WeakPolarHBondContact O-CB 3.46Å; C190-I194 VanDerWaalsContact O-CG1 3.3Å; C190-I194 WeakPolarHBondContact O-CG1 3.44Å; C190-I194 PolarHBondContact O-N 3.34Å; N191-I194 PolarHBondContact O-N 2.55Å; L192-I194 VanDerWaalsContact C-N 3.29Å; L192-I194 PolarHBondContact O-N 3.2Å; I194-S197 CarbonylContact O-C 3.39Å; I194-R198 WeakPolarHBondContact O-CA 3.31Å; I194-R198 PolarHBondContact O-N 3.19Å; I194-A203 HydrophobicContact CD1-CB 4.19Å; I194-A203 HydrophobicContact CG1-CB 3.68Å; I194-Y204 HydrophobicContact CD1-CD1 3.87Å; I194-Y204 HydrophobicContact CD1-CD2 4.02Å; I194-Y204 HydrophobicContact CD1-CE1 3.91Å; I194-Y204 HydrophobicContact CD1-CE2 4.05Å; I194-Y204 HydrophobicContact CD1-CG 3.93Å; I194-Y204 HydrophobicContact CG1-CD2 4.08Å; I194-Y204 HydrophobicContact CG1-CE2 3.87Å; I194-Y204 HydrophobicContact CG1-CG 4.5Å; I194-Y204 HydrophobicContact CG2-CE1 4.41Å; I194-Y204 HydrophobicContact CG2-CE2 4.16Å; I194-Y204 WeakPolarHBondContact CG2-OH 3.31Å; I194-R207 VanDerWaalsContact CD1-CZ 3.48Å
195A94.4Very high94.3Very high84 Ų8445.2 Ų45.269%0.69424%0.244SC*.Hα-helixtrans-69-37.4172.200000112N191 L192N191-A195 WeakPolarHBondContact O-CB 3.24Å; N191-A195 PolarHBondContact O-N 2.9Å; L192-A195 PolarHBondContact O-N 3.45Å; L192-A195 VanDerWaalsContact O-N 3.16Å
196L91.2Very high94.3Very high60 Ų6047 Ų4731%0.31424%0.244SC..Hα-helixtrans-71.7-40173.1-68175000112.6P164 P167 P170 L192P164-L196 WeakPolarHBondContact O-CD1 3.46Å; P167-L196 HydrophobicContact CB-CB 4.16Å; P170-L196 HydrophobicContact CG-CD1 4.4Å; L192-L196 HydrophobicContact CD1-CD1 4.42Å; L192-L196 HydrophobicContact CD1-CG 4.36Å; L192-L196 HydrophobicContact CG-CD1 4.34Å; L192-L196 WeakPolarHBondContact O-CG 3.24Å; L192-L196 PolarHBondContact O-N 2.92Å
197S90.9Very high94.3Very high31 Ų3148.4 Ų48.422%0.21725%0.249CC..  trans-145.398.9179.1-1760000112.2A193 I194 S199 Y200A193-S197 PolarHBondContact O-N 3.2Å; I194-S197 CarbonylContact O-C 3.39Å; S197-S199 PolarHBondContact O-N 3.43Å; S197-S199 VanDerWaalsContact O-N 3.17Å; S197-Y200 WeakPolarHBondContact O-CB 3.47Å; S197-Y200 PolarHBondContact O-N 3.18Å; S197-Y200 VanDerWaalsContact O-N 3.08Å
198R91.5Very high94.3Very high193 Ų19347.5 Ų47.573%0.72825%0.245SC*.THydrogen-bonded Turntrans-65.3-14.8-179.1-176.9173.5168.388.6-2.8114.1I194 Y204I194-R198 WeakPolarHBondContact O-CA 3.31Å; I194-R198 PolarHBondContact O-N 3.19Å; R198-Y204 WeakPolarHBondContact O-CE2 3.41Å; R198-Y204 PolarHBondContact O-OH 2.96Å
199S90Very high94.3Very high81 Ų8145.7 Ų45.757%0.56623%0.233SC*.THydrogen-bonded Turntrans-96.70.1175.151.60000113.8S197 T201S197-S199 PolarHBondContact O-N 3.43Å; S197-S199 VanDerWaalsContact O-N 3.17Å; S199-T201 PolarHBondContact O-N 3.21Å
200Y92.5Very high94.3Very high46 Ų4645.2 Ų45.218%0.1823%0.231CC..  trans-81.386.3-172.7-170.4-133.6000113.1P167 T171 S197 K202 A203P167-Y200 HydrophobicContact CB-CD1 3.95Å; P167-Y200 HydrophobicContact CB-CE1 4.44Å; P167-Y200 HydrophobicContact CB-CG 4.49Å; P167-Y200 HydrophobicContact CG-CD1 4.39Å; T171-Y200 HydrophobicContact CG2-CE1 3.99Å; T171-Y200 WeakPolarHBondContact OG1-CE1 3.36Å; S197-Y200 WeakPolarHBondContact O-CB 3.47Å; S197-Y200 PolarHBondContact O-N 3.18Å; S197-Y200 VanDerWaalsContact O-N 3.08Å; Y200-K202 HydrophobicContact CE1-CB 4.15Å; Y200-K202 HydrophobicContact CE2-CB 4.04Å; Y200-K202 HydrophobicContact CE2-CD 4.06Å; Y200-K202 HydrophobicContact CE2-CG 4.36Å; Y200-K202 PolarHBondContact O-N 2.93Å; Y200-A203 HydrophobicContact CD1-CB 3.89Å; Y200-A203 WeakPolarHBondContact O-CB 3.3Å; Y200-A203 PolarHBondContact O-N 3.21Å
201T92.9Very high94.3Very high12 Ų1246.6 Ų46.67%0.07424%0.236CC..Hα-helixtrans-48-39-175.3-30.20000114.4S199 A203 Y204 I205 V227 L230 E231S199-T201 PolarHBondContact O-N 3.21Å; T201-A203 VanDerWaalsContact C-N 3.25Å; T201-A203 PolarHBondContact O-N 3.05Å; T201-Y204 WeakPolarHBondContact O-CB 3.45Å; T201-Y204 PolarHBondContact O-N 3.12Å; T201-I205 HydrophobicContact CG2-CD1 4.41Å; T201-I205 PolarHBondContact O-N 2.9Å; T201-V227 HydrophobicContact CG2-CB 4.01Å; T201-V227 HydrophobicContact CG2-CG1 3.56Å; T201-V227 HydrophobicContact CG2-CG2 3.87Å; T201-L230 HydrophobicContact CG2-CB 4.34Å; T201-E231 WeakPolarHBondContact CB-OE1 3.44Å; T201-E231 HydrophobicContact CG2-CB 4.45Å; T201-E231 HydrophobicContact CG2-CG 4.05Å; T201-E231 WeakPolarHBondContact CG2-OE1 3.4Å; T201-E231 PolarHBondContact OG1-OE1 3.1Å
202K93.5Very high94.2Very high127 Ų12747 Ų4755%0.55224%0.235SC*.Hα-helixtrans-62-30.4-179.1-69.5174.9-178.7168.50113.1T171 Y200 R206T171-K202 HydrophobicContact CG2-CB 4.46Å; Y200-K202 HydrophobicContact CE1-CB 4.15Å; Y200-K202 HydrophobicContact CE2-CB 4.04Å; Y200-K202 HydrophobicContact CE2-CD 4.06Å; Y200-K202 HydrophobicContact CE2-CG 4.36Å; Y200-K202 PolarHBondContact O-N 2.93Å; K202-R206 WeakPolarHBondContact O-CB 3.49Å; K202-R206 VanDerWaalsContact O-CG 3.26Å; K202-R206 WeakPolarHBondContact O-CG 3.36Å; K202-R206 PolarHBondContact O-N 3.02Å
203A94.9Very high94.2Very high0 Ų045.3 Ų45.30%023%0.231CC..Hα-helixtrans-72.5-36.6174.200000111.8A193 I194 Y200 T201 R206 R207A193-A203 HydrophobicContact CB-CB 3.72Å; I194-A203 HydrophobicContact CD1-CB 4.19Å; I194-A203 HydrophobicContact CG1-CB 3.68Å; Y200-A203 HydrophobicContact CD1-CB 3.89Å; Y200-A203 WeakPolarHBondContact O-CB 3.3Å; Y200-A203 PolarHBondContact O-N 3.21Å; T201-A203 VanDerWaalsContact C-N 3.25Å; T201-A203 PolarHBondContact O-N 3.05Å; A203-R206 PolarHBondContact O-N 3.11Å; A203-R207 WeakPolarHBondContact O-CB 3.46Å; A203-R207 PolarHBondContact O-N 3.23Å
204Y96.1Very high94.1Very high10 Ų1048.3 Ų48.34%0.03925%0.247CC..Hα-helixtrans-65.2-45.6172.6-71.8-88.8000111.8I194 R198 T201 R206 R207 G208 K226 L230I194-Y204 HydrophobicContact CD1-CD1 3.87Å; I194-Y204 HydrophobicContact CD1-CD2 4.02Å; I194-Y204 HydrophobicContact CD1-CE1 3.91Å; I194-Y204 HydrophobicContact CD1-CE2 4.05Å; I194-Y204 HydrophobicContact CD1-CG 3.93Å; I194-Y204 HydrophobicContact CG1-CD2 4.08Å; I194-Y204 HydrophobicContact CG1-CE2 3.87Å; I194-Y204 HydrophobicContact CG1-CG 4.5Å; I194-Y204 HydrophobicContact CG2-CE1 4.41Å; I194-Y204 HydrophobicContact CG2-CE2 4.16Å; I194-Y204 WeakPolarHBondContact CG2-OH 3.31Å; R198-Y204 WeakPolarHBondContact O-CE2 3.41Å; R198-Y204 PolarHBondContact O-OH 2.96Å; T201-Y204 WeakPolarHBondContact O-CB 3.45Å; T201-Y204 PolarHBondContact O-N 3.12Å; Y204-R206 VanDerWaalsContact C-N 3.34Å; Y204-R206 PolarHBondContact O-N 3.44Å; Y204-R207 PolarHBondContact O-N 3.2Å; Y204-G208 PolarHBondContact O-N 3.33Å; Y204-K226 HydrophobicContact CD1-CB 4.09Å; Y204-K226 HydrophobicContact CD1-CG 3.97Å; Y204-K226 HydrophobicContact CE1-CB 4.14Å; Y204-K226 HydrophobicContact CE1-CG 3.6Å; Y204-L230 HydrophobicContact CD2-CD1 4.3Å; Y204-L230 HydrophobicContact CE2-CD1 4.28Å
205I95.4Very high93.9Very high8 Ų856.8 Ų56.84%0.04128%0.278CS..Hα-helixtrans-56.7-47.7174.3-64.3166.8000110.7T201 G208 A209 Y224 V227T201-I205 HydrophobicContact CG2-CD1 4.41Å; T201-I205 PolarHBondContact O-N 2.9Å; I205-G208 PolarHBondContact O-N 3.09Å; I205-A209 WeakPolarHBondContact O-CB 3.4Å; I205-A209 PolarHBondContact O-N 3.43Å; I205-Y224 HydrophobicContact CG2-CE1 4.37Å; I205-V227 HydrophobicContact CD1-CG1 4.28Å; I205-V227 HydrophobicContact CG1-CB 4.45Å; I205-V227 HydrophobicContact CG1-CG1 4.05Å; I205-V227 HydrophobicContact CG1-CG2 3.57Å
206R95.4Very high93.8Very high96 Ų9656.2 Ų56.236%0.36226%0.259SS..Hα-helixtrans-67.6-35.3179.6-70.2-68.4-178-97.1-4.5112.9T171 S175 C190 K202 A203 Y204 A210T171-R206 HydrophobicContact CG2-CG 4.15Å; S175-R206 WeakPolarHBondContact OG-CD 3.48Å; S175-R206 PolarHBondContact OG-NE 2.88Å; C190-R206 VanDerWaalsContact SG-CB 3.57Å; K202-R206 WeakPolarHBondContact O-CB 3.49Å; K202-R206 VanDerWaalsContact O-CG 3.26Å; K202-R206 WeakPolarHBondContact O-CG 3.36Å; K202-R206 PolarHBondContact O-N 3.02Å; A203-R206 PolarHBondContact O-N 3.11Å; Y204-R206 VanDerWaalsContact C-N 3.34Å; Y204-R206 PolarHBondContact O-N 3.44Å; R206-A210 WeakPolarHBondContact O-CB 3.5Å; R206-A210 PolarHBondContact O-N 3.34Å
207R96.7Very high93.9Very high32 Ų3253.4 Ų53.412%0.12125%0.245CC..Hα-helixtrans-68.9-44.9174.2-162.2172.164.9-167.3-4112E187 C190 N191 I194 A203 Y204 A209 A210 R211 D223E187-R207 HydrophobicContact CG-CG 4.1Å; C190-R207 HydrophobicContact CB-CB 3.71Å; C190-R207 HydrophobicContact CB-CG 4.14Å; N191-R207 WeakPolarHBondContact OD1-CD 3.34Å; N191-R207 PolarHBondContact OD1-NH1 3.48Å; I194-R207 VanDerWaalsContact CD1-CZ 3.48Å; A203-R207 WeakPolarHBondContact O-CB 3.46Å; A203-R207 PolarHBondContact O-N 3.23Å; Y204-R207 PolarHBondContact O-N 3.2Å; R207-A209 VanDerWaalsContact C-N 3.33Å; R207-A209 PolarHBondContact O-N 3.37Å; R207-A210 PolarHBondContact O-N 3.23Å; R207-R211 HydrophobicContact CG-CG 4.45Å; R207-R211 WeakPolarHBondContact O-CB 3.36Å; R207-R211 WeakPolarHBondContact O-CG 3.36Å; R207-R211 PolarHBondContact O-N 3.36Å; R207-D223 WeakPolarHBondContact CG-OD2 3.39Å; R207-D223 IonicContact CZ-OD1 3.56Å; R207-D223 IonicContact CZ-OD2 2.79Å; R207-D223 IonicContact NE-OD1 3.64Å; R207-D223 PolarHBondContact NE-OD1 3.38Å; R207-D223 IonicContact NE-OD2 3.22Å; R207-D223 PolarHBondContact NE-OD2 3.03Å; R207-D223 IonicContact NH2-OD1 2.79Å; R207-D223 PolarHBondContact NH2-OD1 3.1Å; R207-D223 IonicContact NH2-OD2 3.38Å
208G95.6Very high94Very high0 Ų056.2 Ų56.20%026%0.255CS..Hα-helixtrans-57.8-44.1174.800000112Y204 I205 R211 F212 A220Y204-G208 PolarHBondContact O-N 3.33Å; I205-G208 PolarHBondContact O-N 3.09Å; G208-R211 PolarHBondContact O-N 3.31Å; G208-F212 WeakPolarHBondContact O-CB 3.38Å; G208-F212 PolarHBondContact O-N 3.28Å; G208-A220 WeakPolarHBondContact O-CB 3.11Å
209A95.6Very high94.1Very high20 Ų2050.7 Ų50.717%0.16524%0.237CC..Hα-helixtrans-62.8-44.517400000112.9F178 I205 R207 F212 A213 Y224F178-A209 HydrophobicContact CE2-CB 4Å; F178-A209 HydrophobicContact CZ-CB 4.28Å; I205-A209 WeakPolarHBondContact O-CB 3.4Å; I205-A209 PolarHBondContact O-N 3.43Å; R207-A209 VanDerWaalsContact C-N 3.33Å; R207-A209 PolarHBondContact O-N 3.37Å; A209-F212 PolarHBondContact O-N 3.14Å; A209-A213 PolarHBondContact O-N 3.26Å; A209-Y224 WeakPolarHBondContact CA-OH 3.24Å; A209-Y224 PolarHBondContact N-OH 3.44Å
210A96.6Very high94.4Very high0 Ų046.8 Ų46.80%021%0.21CC..Hα-helixtrans-63.4-40.7176.800000112.2F178 A186 R206 R207 A213 L214F178-A210 HydrophobicContact CD2-CB 4.37Å; A186-A210 HydrophobicContact CB-CB 4.3Å; R206-A210 WeakPolarHBondContact O-CB 3.5Å; R206-A210 PolarHBondContact O-N 3.34Å; R207-A210 PolarHBondContact O-N 3.23Å; A210-A213 PolarHBondContact O-N 3.27Å; A210-L214 WeakPolarHBondContact O-CG 3.39Å; A210-L214 PolarHBondContact O-N 2.97Å; A210-L214 VanDerWaalsContact O-N 3.07Å
211R96.3Very high94.5Very high29 Ų2947 Ų4711%0.10921%0.211CC..Hα-helixtrans-68.5-38.8177.2-75.6172.4166.6-171.2-17.9112.9E187 R207 G208 L214 W215 K216 E219 A220 D223E187-R211 IonicContact OE1-CZ 3.77Å; E187-R211 VanDerWaalsContact OE1-CZ 3.28Å; E187-R211 IonicContact OE1-NE 3.83Å; E187-R211 PolarHBondContact OE1-NE 3.23Å; E187-R211 IonicContact OE1-NH2 3.61Å; E187-R211 PolarHBondContact OE1-NH2 2.93Å; R207-R211 HydrophobicContact CG-CG 4.45Å; R207-R211 WeakPolarHBondContact O-CB 3.36Å; R207-R211 WeakPolarHBondContact O-CG 3.36Å; R207-R211 PolarHBondContact O-N 3.36Å; G208-R211 PolarHBondContact O-N 3.31Å; R211-L214 CarbonylContact O-C 3.58Å; R211-L214 WeakPolarHBondContact O-CA 3.35Å; R211-L214 PolarHBondContact O-N 2.99Å; R211-L214 VanDerWaalsContact O-N 3.13Å; R211-W215 PolarHBondContact O-N 3.47Å; R211-K216 HydrophobicContact CB-CB 4.15Å; R211-K216 HydrophobicContact CG-CD 4.37Å; R211-K216 PolarHBondContact O-N 3.39Å; R211-E219 IonicContact CZ-OE2 3.09Å; R211-E219 IonicContact NE-OE2 2.67Å; R211-E219 PolarHBondContact NE-OE2 3.31Å; R211-E219 IonicContact NH2-OE2 3.6Å; R211-E219 PolarHBondContact NH2-OE2 3.47Å; R211-A220 HydrophobicContact CB-CB 3.86Å; R211-D223 VanDerWaalsContact CD-OD2 3.25Å; R211-D223 WeakPolarHBondContact CD-OD2 3.24Å; R211-D223 IonicContact CZ-OD2 3.33Å; R211-D223 IonicContact NE-OD2 2.63Å; R211-D223 IonicContact NH1-OD1 3.43Å; R211-D223 PolarHBondContact NH1-OD1 3.44Å; R211-D223 IonicContact NH1-OD2 3.26Å; R211-D223 PolarHBondContact NH1-OD2 3Å
212F94.8Very high94.6Very high69 Ų6953.1 Ų53.130%0.30324%0.237SC..Hα-helixtrans-60.3-45.2171.9-177-109.7000111.3G208 A209 L214 W215 L217 A220 I244G208-F212 WeakPolarHBondContact O-CB 3.38Å; G208-F212 PolarHBondContact O-N 3.28Å; A209-F212 PolarHBondContact O-N 3.14Å; F212-L214 PolarHBondContact O-N 3.46Å; F212-W215 PolarHBondContact O-N 2.82Å; F212-L217 HydrophobicContact CD2-CD2 3.53Å; F212-L217 HydrophobicContact CE2-CD2 3.7Å; F212-A220 HydrophobicContact CB-CB 4.27Å; F212-I244 HydrophobicContact CD2-CD1 4.3Å; F212-I244 HydrophobicContact CD2-CG1 3.57Å; F212-I244 HydrophobicContact CE2-CG1 3.87Å
213A93.6Very high94.7Very high35 Ų3547.3 Ų47.329%0.28921%0.212SC..Hα-helixtrans-65.5-22174.700000114F178 F183 A209 A210F178-A213 HydrophobicContact CE2-CB 4.39Å; F183-A213 HydrophobicContact CD1-CB 3.8Å; F183-A213 HydrophobicContact CD2-CB 3.89Å; F183-A213 HydrophobicContact CE1-CB 3.78Å; F183-A213 HydrophobicContact CE2-CB 3.86Å; F183-A213 HydrophobicContact CG-CB 3.86Å; F183-A213 HydrophobicContact CZ-CB 3.81Å; A209-A213 PolarHBondContact O-N 3.26Å; A210-A213 PolarHBondContact O-N 3.27Å
214L93.4Very high94.7Very high64 Ų6447.5 Ų47.534%0.33521%0.213SC..THydrogen-bonded Turntrans-92.510.1172.8-69.8168.5000113.5F183 A210 R211 F212 K216F183-L214 HydrophobicContact CB-CD1 4.02Å; F183-L214 HydrophobicContact CB-CD2 3.98Å; F183-L214 HydrophobicContact CB-CG 3.76Å; A210-L214 WeakPolarHBondContact O-CG 3.39Å; A210-L214 PolarHBondContact O-N 2.97Å; A210-L214 VanDerWaalsContact O-N 3.07Å; R211-L214 CarbonylContact O-C 3.58Å; R211-L214 WeakPolarHBondContact O-CA 3.35Å; R211-L214 PolarHBondContact O-N 2.99Å; R211-L214 VanDerWaalsContact O-N 3.13Å; F212-L214 PolarHBondContact O-N 3.46Å; L214-K216 HydrophobicContact CB-CG 4.19Å; L214-K216 PolarHBondContact O-N 3.12Å; L214-K216 VanDerWaalsContact O-N 3.09Å
215W90.4Very high94.6Very high196 Ų19650.7 Ų50.774%0.74223%0.228SC*.THydrogen-bonded Turntrans58.214.6-176-71.393000116R211 F212 L217R211-W215 PolarHBondContact O-N 3.47Å; F212-W215 PolarHBondContact O-N 2.82Å; W215-L217 HydrophobicContact CE3-CD1 4.31Å; W215-L217 HydrophobicContact CE3-CG 4.48Å; W215-L217 PolarHBondContact O-N 3.38Å
216K93.2Very high94.6Very high71 Ų7152.7 Ų52.731%0.30924%0.237SC..  trans-79.658.6172.6-55.2-166.6-168.2171.60111.1E187 R211 L214 E218 E219 A220E187-K216 VanDerWaalsContact CD-NZ 3.26Å; E187-K216 IonicContact OE1-NZ 3.32Å; E187-K216 PolarHBondContact OE1-NZ 3.44Å; E187-K216 IonicContact OE2-NZ 2.87Å; E187-K216 PolarHBondContact OE2-NZ 3.48Å; R211-K216 HydrophobicContact CB-CB 4.15Å; R211-K216 HydrophobicContact CG-CD 4.37Å; R211-K216 PolarHBondContact O-N 3.39Å; L214-K216 HydrophobicContact CB-CG 4.19Å; L214-K216 PolarHBondContact O-N 3.12Å; L214-K216 VanDerWaalsContact O-N 3.09Å; K216-E218 VanDerWaalsContact C-N 3.29Å; K216-E218 PolarHBondContact O-N 3.05Å; K216-E219 HydrophobicContact CB-CB 4.21Å; K216-E219 HydrophobicContact CB-CG 4.41Å; K216-E219 WeakPolarHBondContact CD-OE2 3.37Å; K216-E219 IonicContact NZ-OE2 2.63Å; K216-E219 PolarHBondContact NZ-OE2 2.68Å; K216-E219 PolarHBondContact O-N 3.27Å; K216-E219 VanDerWaalsContact O-N 3.09Å; K216-A220 PolarHBondContact O-N 2.75Å
217L92.7Very high94.5Very high2 Ų248.1 Ų48.11%0.0122%0.22CC..Hα-helixtrans-55.2-42.4-171-62.2-179.7000112.6F212 W215 E219 A220 K221 I244 A247 L248 K251F212-L217 HydrophobicContact CD2-CD2 3.53Å; F212-L217 HydrophobicContact CE2-CD2 3.7Å; W215-L217 HydrophobicContact CE3-CD1 4.31Å; W215-L217 HydrophobicContact CE3-CG 4.48Å; W215-L217 PolarHBondContact O-N 3.38Å; L217-E219 VanDerWaalsContact C-N 3.35Å; L217-E219 PolarHBondContact O-N 2.84Å; L217-A220 PolarHBondContact O-N 3.21Å; L217-K221 WeakPolarHBondContact O-CB 3.31Å; L217-K221 PolarHBondContact O-N 3.05Å; L217-I244 HydrophobicContact CB-CG2 4.27Å; L217-I244 WeakPolarHBondContact O-CG2 3.33Å; L217-A247 HydrophobicContact CD1-CB 3.78Å; L217-A247 HydrophobicContact CD2-CB 4.25Å; L217-L248 HydrophobicContact CB-CD2 3.65Å; L217-L248 HydrophobicContact CB-CG 4.07Å; L217-L248 HydrophobicContact CD1-CD2 3.94Å; L217-L248 HydrophobicContact CD1-CG 4.25Å; L217-L248 HydrophobicContact CG-CD2 4.47Å; L217-K251 HydrophobicContact CD1-CD 4.46Å
218E93.1Very high94.4Very high90 Ų9048.7 Ų48.742%0.42123%0.225SC..Hα-helixtrans-71.6-24.5-178.5-62.584.4169.600113.4K216 L248 K251K216-E218 VanDerWaalsContact C-N 3.29Å; K216-E218 PolarHBondContact O-N 3.05Å; E218-L248 HydrophobicContact CG-CD2 3.99Å; E218-L248 VanDerWaalsContact OE1-CD2 3.29Å; E218-L248 WeakPolarHBondContact OE1-CD2 3.26Å; E218-K251 IonicContact OE1-NZ 2.65Å; E218-K251 PolarHBondContact OE1-NZ 2.95Å; E218-K251 IonicContact OE2-NZ 3.4Å; E218-K251 PolarHBondContact OE2-NZ 3.15Å
219E94.1Very high94.3Very high76 Ų7655 Ų5536%0.35525%0.254SS..Hα-helixtrans-84-38.6170.4-62.2-167.5159.500111.6R211 K216 L217 K221 K222 D223R211-E219 IonicContact CZ-OE2 3.09Å; R211-E219 IonicContact NE-OE2 2.67Å; R211-E219 PolarHBondContact NE-OE2 3.31Å; R211-E219 IonicContact NH2-OE2 3.6Å; R211-E219 PolarHBondContact NH2-OE2 3.47Å; K216-E219 HydrophobicContact CB-CB 4.21Å; K216-E219 HydrophobicContact CB-CG 4.41Å; K216-E219 WeakPolarHBondContact CD-OE2 3.37Å; K216-E219 IonicContact NZ-OE2 2.63Å; K216-E219 PolarHBondContact NZ-OE2 2.68Å; K216-E219 PolarHBondContact O-N 3.27Å; K216-E219 VanDerWaalsContact O-N 3.09Å; L217-E219 VanDerWaalsContact C-N 3.35Å; L217-E219 PolarHBondContact O-N 2.84Å; E219-K221 VanDerWaalsContact C-N 3.3Å; E219-K221 PolarHBondContact O-N 2.9Å; E219-K222 PolarHBondContact O-N 3.28Å; E219-D223 PolarHBondContact O-N 2.82Å
220A94.9Very high94Very high0 Ų057 Ų570%026%0.261CS..Hα-helixtrans-61.4-40175.600000111.4G208 R211 F212 K216 L217 K222 D223 Y224 I244G208-A220 WeakPolarHBondContact O-CB 3.11Å; R211-A220 HydrophobicContact CB-CB 3.86Å; F212-A220 HydrophobicContact CB-CB 4.27Å; K216-A220 PolarHBondContact O-N 2.75Å; L217-A220 PolarHBondContact O-N 3.21Å; A220-K222 PolarHBondContact O-N 3.33Å; A220-D223 PolarHBondContact O-N 3.43Å; A220-Y224 WeakPolarHBondContact O-CD2 3.36Å; A220-Y224 PolarHBondContact O-N 2.9Å; A220-Y224 VanDerWaalsContact O-N 3.09Å; A220-I244 HydrophobicContact CB-CD1 3.77Å
221K94.8Very high93.8Very high49 Ų4960.6 Ų60.621%0.21328%0.279CS..Hα-helixtrans-55.2-52174.5179.4156.1-179.11610111.6L217 E219 D223 Y224 E225 L241 I244 D245 L248L217-K221 WeakPolarHBondContact O-CB 3.31Å; L217-K221 PolarHBondContact O-N 3.05Å; E219-K221 VanDerWaalsContact C-N 3.3Å; E219-K221 PolarHBondContact O-N 2.9Å; K221-D223 VanDerWaalsContact C-N 3.25Å; K221-D223 PolarHBondContact O-N 2.87Å; K221-Y224 PolarHBondContact O-N 3.19Å; K221-Y224 VanDerWaalsContact O-N 3.08Å; K221-E225 WeakPolarHBondContact CE-OE1 3.06Å; K221-E225 HydrophobicContact CG-CG 4.13Å; K221-E225 WeakPolarHBondContact O-CG 3.5Å; K221-E225 PolarHBondContact O-N 3.31Å; K221-L241 HydrophobicContact CG-CD1 4.47Å; K221-I244 HydrophobicContact CB-CG2 3.96Å; K221-D245 WeakPolarHBondContact CD-OD1 3.42Å; K221-D245 IonicContact NZ-OD1 2.69Å; K221-D245 PolarHBondContact NZ-OD1 3.03Å; K221-D245 IonicContact NZ-OD2 2.99Å; K221-D245 PolarHBondContact NZ-OD2 2.97Å; K221-L248 HydrophobicContact CD-CD1 4.38Å
222K95.5Very high93.4Very high141 Ų14163.8 Ų63.861%0.61330%0.303SS*.Hα-helixtrans-59.1-34.6178.7-67173.8-175.6177.40113.1E219 A220 E225 K226E219-K222 PolarHBondContact O-N 3.28Å; A220-K222 PolarHBondContact O-N 3.33Å; K222-E225 WeakPolarHBondContact CA-OE2 3.22Å; K222-K226 WeakPolarHBondContact O-CB 3.35Å; K222-K226 PolarHBondContact O-N 2.7Å
223D95.1Very high93.2Very high5 Ų568.1 Ų68.13%0.02733%0.329CS..Hα-helixtrans-69.4-40.5175.9-75.2-20.2000112R207 R211 E219 A220 K221 K226 V227R207-D223 WeakPolarHBondContact CG-OD2 3.39Å; R207-D223 IonicContact CZ-OD1 3.56Å; R207-D223 IonicContact CZ-OD2 2.79Å; R207-D223 IonicContact NE-OD1 3.64Å; R207-D223 PolarHBondContact NE-OD1 3.38Å; R207-D223 IonicContact NE-OD2 3.22Å; R207-D223 PolarHBondContact NE-OD2 3.03Å; R207-D223 IonicContact NH2-OD1 2.79Å; R207-D223 PolarHBondContact NH2-OD1 3.1Å; R207-D223 IonicContact NH2-OD2 3.38Å; R211-D223 VanDerWaalsContact CD-OD2 3.25Å; R211-D223 WeakPolarHBondContact CD-OD2 3.24Å; R211-D223 IonicContact CZ-OD2 3.33Å; R211-D223 IonicContact NE-OD2 2.63Å; R211-D223 IonicContact NH1-OD1 3.43Å; R211-D223 PolarHBondContact NH1-OD1 3.44Å; R211-D223 IonicContact NH1-OD2 3.26Å; R211-D223 PolarHBondContact NH1-OD2 3Å; E219-D223 PolarHBondContact O-N 2.82Å; A220-D223 PolarHBondContact O-N 3.43Å; K221-D223 VanDerWaalsContact C-N 3.25Å; K221-D223 PolarHBondContact O-N 2.87Å; D223-K226 PolarHBondContact O-N 2.74Å; D223-V227 WeakPolarHBondContact O-CG2 3.45Å; D223-V227 PolarHBondContact O-N 2.95Å
224Y95.4Very high93.1Very high4 Ų467.5 Ų67.52%0.01632%0.321CS..Hα-helixtrans-75.4-32.6175.1-70-66.4000113.5I205 A209 A220 K221 K226 V227 L228 A237 E240 I244I205-Y224 HydrophobicContact CG2-CE1 4.37Å; A209-Y224 WeakPolarHBondContact CA-OH 3.24Å; A209-Y224 PolarHBondContact N-OH 3.44Å; A220-Y224 WeakPolarHBondContact O-CD2 3.36Å; A220-Y224 PolarHBondContact O-N 2.9Å; A220-Y224 VanDerWaalsContact O-N 3.09Å; K221-Y224 PolarHBondContact O-N 3.19Å; K221-Y224 VanDerWaalsContact O-N 3.08Å; Y224-K226 VanDerWaalsContact C-N 3.29Å; Y224-V227 WeakPolarHBondContact O-CB 3.46Å; Y224-V227 PolarHBondContact O-N 3.03Å; Y224-L228 WeakPolarHBondContact O-CG 3.31Å; Y224-L228 PolarHBondContact O-N 3.2Å; Y224-A237 HydrophobicContact CD1-CB 3.89Å; Y224-E240 HydrophobicContact CD1-CB 4.28Å; Y224-E240 HydrophobicContact CD2-CB 4.18Å; Y224-E240 HydrophobicContact CE1-CB 3.84Å; Y224-E240 HydrophobicContact CE1-CG 4.09Å; Y224-E240 HydrophobicContact CE2-CB 3.74Å; Y224-E240 HydrophobicContact CG-CB 4.43Å; Y224-I244 HydrophobicContact CD2-CD1 3.46Å; Y224-I244 VanDerWaalsContact CD2-CD1 3.46Å; Y224-I244 HydrophobicContact CE2-CD1 3.66Å
225E94.8Very high93Very high78 Ų7871.6 Ų71.636%0.36434%0.337SS..Hα-helixtrans-58.4-45.1167-71.4170.115500109.8K221 K222 V227 L228 E229 L241K221-E225 WeakPolarHBondContact CE-OE1 3.06Å; K221-E225 HydrophobicContact CG-CG 4.13Å; K221-E225 WeakPolarHBondContact O-CG 3.5Å; K221-E225 PolarHBondContact O-N 3.31Å; K222-E225 WeakPolarHBondContact CA-OE2 3.22Å; E225-V227 VanDerWaalsContact C-N 3.28Å; E225-V227 PolarHBondContact O-N 3.05Å; E225-L228 PolarHBondContact O-N 3.4Å; E225-L228 VanDerWaalsContact O-N 3.09Å; E225-E229 PolarHBondContact O-N 3Å; E225-L241 HydrophobicContact CG-CD1 3.64Å
226K93.8Very high92.9Very high50 Ų5066.8 Ų66.822%0.21732%0.322CS..Hα-helixtrans-68.7-24.1176.9-169.250.9-177.6160.80113.8Y204 K222 D223 Y224 E229 L230Y204-K226 HydrophobicContact CD1-CB 4.09Å; Y204-K226 HydrophobicContact CD1-CG 3.97Å; Y204-K226 HydrophobicContact CE1-CB 4.14Å; Y204-K226 HydrophobicContact CE1-CG 3.6Å; K222-K226 WeakPolarHBondContact O-CB 3.35Å; K222-K226 PolarHBondContact O-N 2.7Å; D223-K226 PolarHBondContact O-N 2.74Å; Y224-K226 VanDerWaalsContact C-N 3.29Å; K226-E229 HydrophobicContact CD-CB 4.05Å; K226-E229 HydrophobicContact CD-CG 4.41Å; K226-E229 WeakPolarHBondContact CD-OE2 3.31Å; K226-E229 WeakPolarHBondContact CE-OE2 3.26Å; K226-E229 IonicContact NZ-OE2 3.08Å; K226-E229 PolarHBondContact NZ-OE2 3.3Å; K226-L230 WeakPolarHBondContact O-CG 3.14Å; K226-L230 PolarHBondContact O-N 3.43Å
227V94.7Very high92.8Very high0 Ų063.4 Ų63.40%031%0.308CS..Hα-helixtrans-67-45.7167.81690000110.6T201 I205 D223 Y224 E225 E229 L230 E231 N234 A237T201-V227 HydrophobicContact CG2-CB 4.01Å; T201-V227 HydrophobicContact CG2-CG1 3.56Å; T201-V227 HydrophobicContact CG2-CG2 3.87Å; I205-V227 HydrophobicContact CD1-CG1 4.28Å; I205-V227 HydrophobicContact CG1-CB 4.45Å; I205-V227 HydrophobicContact CG1-CG1 4.05Å; I205-V227 HydrophobicContact CG1-CG2 3.57Å; D223-V227 WeakPolarHBondContact O-CG2 3.45Å; D223-V227 PolarHBondContact O-N 2.95Å; Y224-V227 WeakPolarHBondContact O-CB 3.46Å; Y224-V227 PolarHBondContact O-N 3.03Å; E225-V227 VanDerWaalsContact C-N 3.28Å; E225-V227 PolarHBondContact O-N 3.05Å; V227-E229 VanDerWaalsContact C-N 3.31Å; V227-E229 PolarHBondContact O-N 3.22Å; V227-L230 PolarHBondContact O-N 2.65Å; V227-E231 PolarHBondContact O-N 2.88Å; V227-N234 HydrophobicContact CG1-CB 4.03Å; V227-A237 HydrophobicContact CB-CB 3.93Å; V227-A237 HydrophobicContact CG1-CB 3.44Å; V227-A237 VanDerWaalsContact CG1-CB 3.44Å
228L93.3Very high92.8Very high44 Ų4465.5 Ų65.523%0.2332%0.32CS..Hα-helixtrans-69.7-26.5180-63.4171.6000113Y224 E225 L230 P232 N234 A237 T238 L241Y224-L228 WeakPolarHBondContact O-CG 3.31Å; Y224-L228 PolarHBondContact O-N 3.2Å; E225-L228 PolarHBondContact O-N 3.4Å; E225-L228 VanDerWaalsContact O-N 3.09Å; L228-L230 VanDerWaalsContact C-N 3.26Å; L228-L230 PolarHBondContact O-N 3.43Å; L228-P232 WeakPolarHBondContact O-CA 3.4Å; L228-N234 HydrophobicContact CD2-CB 4.41Å; L228-A237 HydrophobicContact CD2-CB 3.92Å; L228-A237 HydrophobicContact CG-CB 4.07Å; L228-T238 HydrophobicContact CD1-CG2 4.19Å; L228-T238 HydrophobicContact CD2-CG2 3.63Å; L228-L241 HydrophobicContact CD1-CD1 4.32Å
229E93.3Very high92.8Very high132 Ų13263.3 Ų63.362%0.61731%0.312SS*.THydrogen-bonded Turntrans-66.9-21.8167.4-74.7179.4-140.900113.9E225 K226 V227E225-E229 PolarHBondContact O-N 3Å; K226-E229 HydrophobicContact CD-CB 4.05Å; K226-E229 HydrophobicContact CD-CG 4.41Å; K226-E229 WeakPolarHBondContact CD-OE2 3.31Å; K226-E229 WeakPolarHBondContact CE-OE2 3.26Å; K226-E229 IonicContact NZ-OE2 3.08Å; K226-E229 PolarHBondContact NZ-OE2 3.3Å; V227-E229 VanDerWaalsContact C-N 3.31Å; V227-E229 PolarHBondContact O-N 3.22Å
230L90.9Very high92.8Very high61 Ų6161.3 Ų61.332%0.31930%0.302SS..THydrogen-bonded Turntrans-102.8-36.7-178.7-68.2172.9000112.3T201 Y204 K226 V227 L228T201-L230 HydrophobicContact CG2-CB 4.34Å; Y204-L230 HydrophobicContact CD2-CD1 4.3Å; Y204-L230 HydrophobicContact CE2-CD1 4.28Å; K226-L230 WeakPolarHBondContact O-CG 3.14Å; K226-L230 PolarHBondContact O-N 3.43Å; V227-L230 PolarHBondContact O-N 2.65Å; L228-L230 VanDerWaalsContact C-N 3.26Å; L228-L230 PolarHBondContact O-N 3.43Å
231E91.3Very high92.7Very high77 Ų7762.7 Ų62.736%0.3631%0.309SS..  trans-135.984.7-179.3-69.1172.9-160.500108.9T201 V227 D233 N234T201-E231 WeakPolarHBondContact CB-OE1 3.44Å; T201-E231 HydrophobicContact CG2-CB 4.45Å; T201-E231 HydrophobicContact CG2-CG 4.05Å; T201-E231 WeakPolarHBondContact CG2-OE1 3.4Å; T201-E231 PolarHBondContact OG1-OE1 3.1Å; V227-E231 PolarHBondContact O-N 2.88Å; E231-D233 VanDerWaalsContact C-N 3.26Å; E231-D233 PolarHBondContact O-N 2.97Å; E231-N234 HydrophobicContact CB-CB 3.91Å; E231-N234 WeakPolarHBondContact O-CB 3.3Å; E231-N234 PolarHBondContact O-N 3.21Å; E231-N234 VanDerWaalsContact O-N 3.07Å; E231-N234 PolarHBondContact OE2-ND2 2.88Å
232P89.1Confident92.6Very high96 Ų9665.8 Ų65.862%0.62332%0.32SS*.THydrogen-bonded Turntrans-58-34.2-175.1-28.336.5000114.4L228 N234L228-P232 WeakPolarHBondContact O-CA 3.4Å; P232-N234 PolarHBondContact O-N 2.91Å
233D90.4Very high92.5Very high160 Ų16062.9 Ų62.986%0.85631%0.307SS*.THydrogen-bonded Turntrans-828.3-179.8-59.6-50.3000113.7E231 F235E231-D233 VanDerWaalsContact C-N 3.26Å; E231-D233 PolarHBondContact O-N 2.97Å; D233-F235 PolarHBondContact O-N 3.41Å
234N91.8Very high92.4Very high22 Ų2262.7 Ų62.712%0.11831%0.306CS..  trans-73.191.6-175.2-167.5-53.7000112.3V227 L228 E231 P232 E236 A237 T238V227-N234 HydrophobicContact CG1-CB 4.03Å; L228-N234 HydrophobicContact CD2-CB 4.41Å; E231-N234 HydrophobicContact CB-CB 3.91Å; E231-N234 WeakPolarHBondContact O-CB 3.3Å; E231-N234 PolarHBondContact O-N 3.21Å; E231-N234 VanDerWaalsContact O-N 3.07Å; E231-N234 PolarHBondContact OE2-ND2 2.88Å; P232-N234 PolarHBondContact O-N 2.91Å; N234-E236 VanDerWaalsContact C-N 3.29Å; N234-E236 PolarHBondContact O-N 3.09Å; N234-E236 WeakPolarHBondContact OD1-CB 3.46Å; N234-E236 PolarHBondContact OD1-N 3.48Å; N234-A237 HydrophobicContact CB-CB 4.27Å; N234-A237 PolarHBondContact O-N 3.16Å; N234-A237 PolarHBondContact OD1-N 3.43Å; N234-T238 PolarHBondContact O-N 3.09Å; N234-T238 VanDerWaalsContact O-N 3.16Å
235F89.8Confident92.3Very high150 Ų15064.3 Ų64.366%0.65832%0.315SS*.Hα-helixtrans-59-34.4-179.4-172.6-95.6000113.7D233 T238 N239D233-F235 PolarHBondContact O-N 3.41Å; F235-T238 PolarHBondContact O-N 3.37Å; F235-T238 PolarHBondContact O-OG1 2.92Å; F235-N239 VanDerWaalsContact O-CB 3.32Å; F235-N239 WeakPolarHBondContact O-CB 3.49Å; F235-N239 PolarHBondContact O-N 3.38Å
236E89.4Confident92.1Very high95 Ų9566.5 Ų66.544%0.44433%0.325SS..Hα-helixtrans-58.3-50.5175.8-172.7178-172.300109.8N234 T238 N239 E240N234-E236 VanDerWaalsContact C-N 3.29Å; N234-E236 PolarHBondContact O-N 3.09Å; N234-E236 WeakPolarHBondContact OD1-CB 3.46Å; N234-E236 PolarHBondContact OD1-N 3.48Å; E236-T238 PolarHBondContact O-N 3.32Å; E236-N239 PolarHBondContact O-N 3.3Å; E236-E240 WeakPolarHBondContact O-CG 3.35Å; E236-E240 PolarHBondContact O-N 3.25Å
237A91.1Very high91.8Very high0 Ų064.9 Ų64.90%032%0.321CS..Hα-helixtrans-63.3-42.9178.700000113.4Y224 V227 L228 N234 N239 E240 L241Y224-A237 HydrophobicContact CD1-CB 3.89Å; V227-A237 HydrophobicContact CB-CB 3.93Å; V227-A237 HydrophobicContact CG1-CB 3.44Å; V227-A237 VanDerWaalsContact CG1-CB 3.44Å; L228-A237 HydrophobicContact CD2-CB 3.92Å; L228-A237 HydrophobicContact CG-CB 4.07Å; N234-A237 HydrophobicContact CB-CB 4.27Å; N234-A237 PolarHBondContact O-N 3.16Å; N234-A237 PolarHBondContact OD1-N 3.43Å; A237-N239 PolarHBondContact O-N 2.68Å; A237-E240 PolarHBondContact O-N 2.8Å; A237-L241 WeakPolarHBondContact O-CB 3.29Å; A237-L241 PolarHBondContact O-N 3.35Å
238T92.6Very high91.6Very high45 Ų4566.4 Ų66.428%0.27633%0.329SS..Hα-helixtrans-62-32.6175.771.90000112.5L228 N234 F235 E236 R242L228-T238 HydrophobicContact CD1-CG2 4.19Å; L228-T238 HydrophobicContact CD2-CG2 3.63Å; N234-T238 PolarHBondContact O-N 3.09Å; N234-T238 VanDerWaalsContact O-N 3.16Å; F235-T238 PolarHBondContact O-N 3.37Å; F235-T238 PolarHBondContact O-OG1 2.92Å; E236-T238 PolarHBondContact O-N 3.32Å; T238-R242 WeakPolarHBondContact O-CB 3.39Å; T238-R242 PolarHBondContact O-N 3.04Å; T238-R242 VanDerWaalsContact O-N 3.14Å
239N93.3Very high91.3Very high45 Ų4570.1 Ų70.124%0.24134%0.344CS..Hα-helixtrans-76.9-44.7-178.6-167.847.4000111.7F235 E236 A237 R242 K243F235-N239 VanDerWaalsContact O-CB 3.32Å; F235-N239 WeakPolarHBondContact O-CB 3.49Å; F235-N239 PolarHBondContact O-N 3.38Å; E236-N239 PolarHBondContact O-N 3.3Å; A237-N239 PolarHBondContact O-N 2.68Å; N239-R242 PolarHBondContact O-N 3.29Å; N239-R242 PolarHBondContact OD1-NH1 3.45Å; N239-K243 WeakPolarHBondContact O-CG 3.48Å; N239-K243 PolarHBondContact O-N 3.32Å; N239-K243 VanDerWaalsContact O-N 3.16Å
240E93Very high90.7Very high34 Ų3467.4 Ų67.416%0.15934%0.339CS..Hα-helixtrans-67.8-38.9175.2-59.1-44.1123.900111.9Y224 E236 A237 R242 K243 I244Y224-E240 HydrophobicContact CD1-CB 4.28Å; Y224-E240 HydrophobicContact CD2-CB 4.18Å; Y224-E240 HydrophobicContact CE1-CB 3.84Å; Y224-E240 HydrophobicContact CE1-CG 4.09Å; Y224-E240 HydrophobicContact CE2-CB 3.74Å; Y224-E240 HydrophobicContact CG-CB 4.43Å; E236-E240 WeakPolarHBondContact O-CG 3.35Å; E236-E240 PolarHBondContact O-N 3.25Å; A237-E240 PolarHBondContact O-N 2.8Å; E240-R242 VanDerWaalsContact C-N 3.31Å; E240-R242 PolarHBondContact O-N 3.02Å; E240-K243 WeakPolarHBondContact O-CB 3.42Å; E240-K243 PolarHBondContact O-N 2.83Å; E240-K243 VanDerWaalsContact O-N 3.15Å; E240-K243 WeakPolarHBondContact OE1-CE 3.35Å; E240-K243 IonicContact OE1-NZ 2.6Å; E240-K243 PolarHBondContact OE1-NZ 3.33Å; E240-K243 WeakPolarHBondContact OE2-CD 3.39Å; E240-K243 IonicContact OE2-NZ 2.77Å; E240-K243 PolarHBondContact OE2-NZ 2.79Å; E240-I244 WeakPolarHBondContact O-CG1 3.33Å; E240-I244 PolarHBondContact O-N 3.11Å
241L93Very high90.1Very high28 Ų2869.3 Ų69.315%0.14735%0.345CS..Hα-helixtrans-61.4-38.7174-171.9149.1000111.6K221 E225 L228 A237 K243 I244 D245K221-L241 HydrophobicContact CG-CD1 4.47Å; E225-L241 HydrophobicContact CG-CD1 3.64Å; L228-L241 HydrophobicContact CD1-CD1 4.32Å; A237-L241 WeakPolarHBondContact O-CB 3.29Å; A237-L241 PolarHBondContact O-N 3.35Å; L241-K243 PolarHBondContact O-N 2.9Å; L241-I244 PolarHBondContact O-N 3Å; L241-D245 PolarHBondContact O-N 3.25Å
242R93.1Very high89.2Confident115 Ų11572.2 Ų72.243%0.43436%0.358SS..Hα-helixtrans-62.6-40173.9-161.4-171.7-45.9108.610.7112.4T238 N239 E240 Q246T238-R242 WeakPolarHBondContact O-CB 3.39Å; T238-R242 PolarHBondContact O-N 3.04Å; T238-R242 VanDerWaalsContact O-N 3.14Å; N239-R242 PolarHBondContact O-N 3.29Å; N239-R242 PolarHBondContact OD1-NH1 3.45Å; E240-R242 VanDerWaalsContact C-N 3.31Å; E240-R242 PolarHBondContact O-N 3.02Å; R242-Q246 WeakPolarHBondContact O-CB 3.38Å; R242-Q246 VanDerWaalsContact O-CG 3.29Å; R242-Q246 WeakPolarHBondContact O-CG 3.36Å; R242-Q246 PolarHBondContact O-N 3.21Å
243K93.2Very high88Confident79 Ų7972.2 Ų72.234%0.34335%0.353SS..Hα-helixtrans-66.8-40174.5-64.7173.6-161.2167.40111.7N239 E240 L241 Q246 A247N239-K243 WeakPolarHBondContact O-CG 3.48Å; N239-K243 PolarHBondContact O-N 3.32Å; N239-K243 VanDerWaalsContact O-N 3.16Å; E240-K243 WeakPolarHBondContact O-CB 3.42Å; E240-K243 PolarHBondContact O-N 2.83Å; E240-K243 VanDerWaalsContact O-N 3.15Å; E240-K243 WeakPolarHBondContact OE1-CE 3.35Å; E240-K243 IonicContact OE1-NZ 2.6Å; E240-K243 PolarHBondContact OE1-NZ 3.33Å; E240-K243 WeakPolarHBondContact OE2-CD 3.39Å; E240-K243 IonicContact OE2-NZ 2.77Å; E240-K243 PolarHBondContact OE2-NZ 2.79Å; L241-K243 PolarHBondContact O-N 2.9Å; K243-Q246 PolarHBondContact O-N 3.39Å; K243-A247 WeakPolarHBondContact O-CB 3.39Å; K243-A247 PolarHBondContact O-N 3.02Å
244I93.4Very high86.6Confident1 Ų169.1 Ų69.11%0.00534%0.344CS..Hα-helixtrans-62.8-46.7175.9-70.9161000110.2F212 L217 A220 K221 Y224 E240 L241 Q246 A247 L248F212-I244 HydrophobicContact CD2-CD1 4.3Å; F212-I244 HydrophobicContact CD2-CG1 3.57Å; F212-I244 HydrophobicContact CE2-CG1 3.87Å; L217-I244 HydrophobicContact CB-CG2 4.27Å; L217-I244 WeakPolarHBondContact O-CG2 3.33Å; A220-I244 HydrophobicContact CB-CD1 3.77Å; K221-I244 HydrophobicContact CB-CG2 3.96Å; Y224-I244 HydrophobicContact CD2-CD1 3.46Å; Y224-I244 VanDerWaalsContact CD2-CD1 3.46Å; Y224-I244 HydrophobicContact CE2-CD1 3.66Å; E240-I244 WeakPolarHBondContact O-CG1 3.33Å; E240-I244 PolarHBondContact O-N 3.11Å; L241-I244 PolarHBondContact O-N 3Å; I244-Q246 VanDerWaalsContact C-N 3.3Å; I244-Q246 PolarHBondContact O-N 2.89Å; I244-A247 PolarHBondContact O-N 3.33Å; I244-A247 VanDerWaalsContact O-N 3.15Å; I244-L248 HydrophobicContact CG2-CD1 3.88Å; I244-L248 HydrophobicContact CG2-CG 4.3Å; I244-L248 WeakPolarHBondContact O-CB 3.29Å; I244-L248 VanDerWaalsContact O-CG 3.31Å; I244-L248 WeakPolarHBondContact O-CG 3.49Å; I244-L248 PolarHBondContact O-N 3.47Å
245D92.2Very high84.5Confident39 Ų3975.9 Ų75.921%0.20937%0.368CS..Hα-helixtrans-65.3-31.5176.5-82.6-10.4000112.9K221 L241 K249K221-D245 WeakPolarHBondContact CD-OD1 3.42Å; K221-D245 IonicContact NZ-OD1 2.69Å; K221-D245 PolarHBondContact NZ-OD1 3.03Å; K221-D245 IonicContact NZ-OD2 2.99Å; K221-D245 PolarHBondContact NZ-OD2 2.97Å; L241-D245 PolarHBondContact O-N 3.25Å; D245-K249 VanDerWaalsContact O-CB 3.3Å; D245-K249 WeakPolarHBondContact O-CB 3.41Å; D245-K249 WeakPolarHBondContact O-CD 3.33Å; D245-K249 WeakPolarHBondContact O-CG 3.45Å; D245-K249 PolarHBondContact O-N 3.37Å
246Q91.3Very high82.4Confident123 Ų12374.6 Ų74.658%0.57537%0.374SS*.Hα-helixtrans-67-44.1169.9-76171.8-15.400111.9R242 K243 I244 K249 S250R242-Q246 WeakPolarHBondContact O-CB 3.38Å; R242-Q246 VanDerWaalsContact O-CG 3.29Å; R242-Q246 WeakPolarHBondContact O-CG 3.36Å; R242-Q246 PolarHBondContact O-N 3.21Å; K243-Q246 PolarHBondContact O-N 3.39Å; I244-Q246 VanDerWaalsContact C-N 3.3Å; I244-Q246 PolarHBondContact O-N 2.89Å; Q246-K249 PolarHBondContact O-N 3.26Å; Q246-S250 PolarHBondContact O-N 3.35Å; Q246-S250 PolarHBondContact O-OG 3.43Å
247A88.1Confident80.6Confident16 Ų1678.5 Ų78.513%0.13239%0.39CS..Hα-helixtrans-67.2-36177.600000112.8L217 K243 I244 S250 K251L217-A247 HydrophobicContact CD1-CB 3.78Å; L217-A247 HydrophobicContact CD2-CB 4.25Å; K243-A247 WeakPolarHBondContact O-CB 3.39Å; K243-A247 PolarHBondContact O-N 3.02Å; I244-A247 PolarHBondContact O-N 3.33Å; I244-A247 VanDerWaalsContact O-N 3.15Å; A247-S250 WeakPolarHBondContact CA-OG 3.45Å; A247-S250 PolarHBondContact O-OG 2.95Å; A247-K251 VanDerWaalsContact O-CB 3.24Å; A247-K251 WeakPolarHBondContact O-CB 3.33Å; A247-K251 PolarHBondContact O-N 3.06Å
248L89.1Confident78.3Confident32 Ų3287.4 Ų87.417%0.16843%0.431CS..Hα-helixtrans-65.8-45.3171.7-71.3172.2000110.8L217 E218 K221 I244 S250 K251 E252L217-L248 HydrophobicContact CB-CD2 3.65Å; L217-L248 HydrophobicContact CB-CG 4.07Å; L217-L248 HydrophobicContact CD1-CD2 3.94Å; L217-L248 HydrophobicContact CD1-CG 4.25Å; L217-L248 HydrophobicContact CG-CD2 4.47Å; E218-L248 HydrophobicContact CG-CD2 3.99Å; E218-L248 VanDerWaalsContact OE1-CD2 3.29Å; E218-L248 WeakPolarHBondContact OE1-CD2 3.26Å; K221-L248 HydrophobicContact CD-CD1 4.38Å; I244-L248 HydrophobicContact CG2-CD1 3.88Å; I244-L248 HydrophobicContact CG2-CG 4.3Å; I244-L248 WeakPolarHBondContact O-CB 3.29Å; I244-L248 VanDerWaalsContact O-CG 3.31Å; I244-L248 WeakPolarHBondContact O-CG 3.49Å; I244-L248 PolarHBondContact O-N 3.47Å; L248-S250 PolarHBondContact O-N 3.29Å; L248-K251 HydrophobicContact CD2-CD 4.48Å; L248-K251 WeakPolarHBondContact O-CB 3.36Å; L248-K251 PolarHBondContact O-N 3.07Å; L248-E252 WeakPolarHBondContact O-CB 3.22Å; L248-E252 PolarHBondContact O-N 3.05Å
249K87.4Confident75.7Confident123 Ų12389.5 Ų89.554%0.53545%0.453SS..Hα-helixtrans-66.5-31.1176-74.5169.3-176.3175.10113.3D245 Q246 N253D245-K249 VanDerWaalsContact O-CB 3.3Å; D245-K249 WeakPolarHBondContact O-CB 3.41Å; D245-K249 WeakPolarHBondContact O-CD 3.33Å; D245-K249 WeakPolarHBondContact O-CG 3.45Å; D245-K249 PolarHBondContact O-N 3.37Å; Q246-K249 PolarHBondContact O-N 3.26Å; K249-N253 WeakPolarHBondContact O-CB 3.48Å; K249-N253 PolarHBondContact O-N 2.66Å; K249-N253 PolarHBondContact O-ND2 3.17Å
250S81.9Confident73.5Confident74 Ų7492.1 Ų92.152%0.51748%0.482SS..Hα-helixtrans-73.2-41.1172.962.10000111.7Q246 A247 L248 E252 N253 S254Q246-S250 PolarHBondContact O-N 3.35Å; Q246-S250 PolarHBondContact O-OG 3.43Å; A247-S250 WeakPolarHBondContact CA-OG 3.45Å; A247-S250 PolarHBondContact O-OG 2.95Å; L248-S250 PolarHBondContact O-N 3.29Å; S250-E252 VanDerWaalsContact C-N 3.3Å; S250-E252 PolarHBondContact O-N 3.09Å; S250-N253 PolarHBondContact O-N 3.44Å; S250-S254 VanDerWaalsContact O-CB 3.32Å; S250-S254 WeakPolarHBondContact O-CB 3.47Å; S250-S254 PolarHBondContact O-N 3.02Å; S250-S254 PolarHBondContact O-OG 2.91Å
251K76.8Confident71Confident101 Ų10196.9 Ų96.944%0.43951%0.513SS..Hα-helixtrans-57.8-42.3171.5178.5-175.6178.5-174.50111L217 E218 A247 L248 S254L217-K251 HydrophobicContact CD1-CD 4.46Å; E218-K251 IonicContact OE1-NZ 2.65Å; E218-K251 PolarHBondContact OE1-NZ 2.95Å; E218-K251 IonicContact OE2-NZ 3.4Å; E218-K251 PolarHBondContact OE2-NZ 3.15Å; A247-K251 VanDerWaalsContact O-CB 3.24Å; A247-K251 WeakPolarHBondContact O-CB 3.33Å; A247-K251 PolarHBondContact O-N 3.06Å; L248-K251 HydrophobicContact CD2-CD 4.48Å; L248-K251 WeakPolarHBondContact O-CB 3.36Å; L248-K251 PolarHBondContact O-N 3.07Å; K251-S254 PolarHBondContact O-OG 3.18Å
252E73.8Confident68.6Low138 Ų138100.7 Ų100.765%0.64554%0.537SS*.Hα-helixtrans-68.6-49.7176.3-172.4172.2-141.600112.9L248 S250 S254 R255L248-E252 WeakPolarHBondContact O-CB 3.22Å; L248-E252 PolarHBondContact O-N 3.05Å; S250-E252 VanDerWaalsContact C-N 3.3Å; S250-E252 PolarHBondContact O-N 3.09Å; E252-S254 PolarHBondContact O-N 3.32Å; E252-R255 PolarHBondContact O-N 2.92Å; E252-R255 VanDerWaalsContact O-N 3.13Å
253N63.8Low66.5Low97 Ų97101.4 Ų101.452%0.51955%0.548SS..Hα-helixtrans-70.7-14.8178.2-71.6-63.7000114K249 S250 R255 K257K249-N253 WeakPolarHBondContact O-CB 3.48Å; K249-N253 PolarHBondContact O-N 2.66Å; K249-N253 PolarHBondContact O-ND2 3.17Å; S250-N253 PolarHBondContact O-N 3.44Å; N253-R255 PolarHBondContact O-N 3.03Å; N253-K257 PolarHBondContact OD1-NZ 3.12Å
254S60.4Low64.3Low94 Ų94104.2 Ų104.266%0.65756%0.561SS**THydrogen-bonded Turntrans-74.3-9.5170.672.30000113.9S250 K251 E252S250-S254 VanDerWaalsContact O-CB 3.32Å; S250-S254 WeakPolarHBondContact O-CB 3.47Å; S250-S254 PolarHBondContact O-N 3.02Å; S250-S254 PolarHBondContact O-OG 2.91Å; K251-S254 PolarHBondContact O-OG 3.18Å; E252-S254 PolarHBondContact O-N 3.32Å
255R48Very low62Low164 Ų164107.2 Ų107.262%0.61958%0.58SS**SBendtrans-87.1127.3165.2-70.8179.6163.5-176.3-7.5109.3E252 N253 K257E252-R255 PolarHBondContact O-N 2.92Å; E252-R255 VanDerWaalsContact O-N 3.13Å; N253-R255 PolarHBondContact O-N 3.03Å; R255-K257 PolarHBondContact O-N 3.1Å
256P45.8Very low60.2Low123 Ų123109.1 Ų109.180%0.79959%0.593SS**  trans-56.5137.5175.4-2635.1000112.3E258P256-E258 PolarHBondContact O-N 2.88Å; P256-E258 VanDerWaalsContact O-N 3.15Å
257K50.4Low58.6Low177 Ų177110 Ų11077%0.7760%0.597SS**  trans-85.975.5177.4-69.7-177.5-178.3171.60111.4N253 R255N253-K257 PolarHBondContact OD1-NZ 3.12Å; R255-K257 PolarHBondContact O-N 3.1Å
258E43Very low57.3Low187 Ų187110.9 Ų110.987%0.87461%0.609SS**  trans-80.3146.9148.6-69.5-166.3148.600109.3P256P256-E258 PolarHBondContact O-N 2.88Å; P256-E258 VanDerWaalsContact O-N 3.15Å
259A39.4Very low56Low89 Ų89112.8 Ų112.874%0.73662%0.619SS**  trans-93.8141.4-161.900000114.2T261A259-T261 PolarHBondContact O-N 2.98Å; A259-T261 VanDerWaalsContact O-N 3.1Å
260A46.8Very low55.2Low101 Ų101111.2 Ų111.284%0.83561%0.612SS**SBendtrans68.1-0.5151.700000120.5V262A260-V262 PolarHBondContact O-N 3.2Å
261T39.3Very low54.8Low133 Ų133113.1 Ų113.182%0.81661%0.611SS**  trans-84.788.3161.821.80000111.5A259 I263A259-T261 PolarHBondContact O-N 2.98Å; A259-T261 VanDerWaalsContact O-N 3.1Å; T261-I263 PolarHBondContact O-N 3.27Å; T261-I263 VanDerWaalsContact O-N 3.15Å
262V43.4Very low54.7Low108 Ų108114.5 Ų114.566%0.65562%0.619SS**  trans-34.1110.5173.41780000113.2A260 K264A260-V262 PolarHBondContact O-N 3.2Å; V262-K264 HydrophobicContact CG1-CB 4.5Å; V262-K264 HydrophobicContact CG1-CD 4.1Å; V262-K264 HydrophobicContact CG1-CG 3.88Å; V262-K264 PolarHBondContact O-N 3.31Å
263I48.9Very low55Low131 Ų131112.4 Ų112.467%0.67261%0.611SS**  trans-7567.4165.4-46.7179.3000109.5T261T261-I263 PolarHBondContact O-N 3.27Å; T261-I263 VanDerWaalsContact O-N 3.15Å
264K46.7Very low56Low138 Ų138113.3 Ų113.360%0.661%0.612SS**PPolyproline II helixtrans-52.3137.5134.1-76.2153.5-179.1176.70105.1V262 T266V262-K264 HydrophobicContact CG1-CB 4.5Å; V262-K264 HydrophobicContact CG1-CD 4.1Å; V262-K264 HydrophobicContact CG1-CG 3.88Å; V262-K264 PolarHBondContact O-N 3.31Å; K264-T266 PolarHBondContact O-N 2.9Å
265P45.3Very low57.2Low63 Ų63113.5 Ų113.541%0.40960%0.603SS.*PPolyproline II helixtrans-48.7139.2162.413-21.2000108D269 K270P265-D269 HydrophobicContact CB-CB 3.84Å; P265-K270 HydrophobicContact CB-CG 3.96Å; P265-K270 HydrophobicContact CG-CD 4.41Å; P265-K270 HydrophobicContact CG-CG 3.76Å; P265-K270 WeakPolarHBondContact O-CD 3.33Å; P265-K270 WeakPolarHBondContact O-CE 3.45Å; P265-K270 WeakPolarHBondContact O-CG 3.49Å
266T54.8Low59Low80 Ų80111.5 Ų111.549%0.49160%0.6SS.*PPolyproline II helixtrans-58.4162.5-170.566.30000109.8K264 G268 D269 K270K264-T266 PolarHBondContact O-N 2.9Å; T266-G268 PolarHBondContact O-N 3.09Å; T266-G268 VanDerWaalsContact O-N 3.14Å; T266-G268 PolarHBondContact OG1-N 3.48Å; T266-D269 VanDerWaalsContact CB-OD2 3.27Å; T266-D269 WeakPolarHBondContact CB-OD2 3.45Å; T266-D269 WeakPolarHBondContact CG2-OD2 3.49Å; T266-D269 PolarHBondContact N-OD2 3.37Å; T266-D269 PolarHBondContact O-N 2.91Å; T266-D269 VanDerWaalsContact O-N 3.09Å; T266-D269 PolarHBondContact OG1-N 3.25Å; T266-D269 VanDerWaalsContact OG1-N 3.09Å; T266-D269 PolarHBondContact OG1-OD2 3.07Å; T266-K270 WeakPolarHBondContact O-CB 3.18Å; T266-K270 PolarHBondContact O-N 3.47Å
267E58.2Low61.1Low140 Ų140111.7 Ų111.765%0.65459%0.591SS**Hα-helixtrans-56.9-31.4174.8-78.8-154.4-17800112K271E267-K271 VanDerWaalsContact O-CB 3.22Å; E267-K271 WeakPolarHBondContact O-CB 3.38Å; E267-K271 WeakPolarHBondContact O-CD 3.39Å; E267-K271 WeakPolarHBondContact O-CG 3.47Å; E267-K271 PolarHBondContact O-N 3.27Å; E267-K271 IonicContact OE2-NZ 3.37Å; E267-K271 PolarHBondContact OE2-NZ 2.67Å
268G59.6Low63Low36 Ų36105.9 Ų105.937%0.37157%0.568SS.*Hα-helixtrans-61.1-58.716900000112.4T266 K270 K271 Q272T266-G268 PolarHBondContact O-N 3.09Å; T266-G268 VanDerWaalsContact O-N 3.14Å; T266-G268 PolarHBondContact OG1-N 3.48Å; G268-K270 VanDerWaalsContact C-N 3.29Å; G268-K270 PolarHBondContact O-N 2.84Å; G268-K271 PolarHBondContact O-N 2.87Å; G268-Q272 WeakPolarHBondContact O-CG 3.35Å; G268-Q272 PolarHBondContact O-N 3.03Å
269D62.8Low65.3Low71 Ų7199.9 Ų99.938%0.3854%0.539SS..Hα-helixtrans-58.6-40.2-177.4-51.9-49.7000112.2P265 T266 I273P265-D269 HydrophobicContact CB-CB 3.84Å; T266-D269 VanDerWaalsContact CB-OD2 3.27Å; T266-D269 WeakPolarHBondContact CB-OD2 3.45Å; T266-D269 WeakPolarHBondContact CG2-OD2 3.49Å; T266-D269 PolarHBondContact N-OD2 3.37Å; T266-D269 PolarHBondContact O-N 2.91Å; T266-D269 VanDerWaalsContact O-N 3.09Å; T266-D269 PolarHBondContact OG1-N 3.25Å; T266-D269 VanDerWaalsContact OG1-N 3.09Å; T266-D269 PolarHBondContact OG1-OD2 3.07Å; D269-I273 WeakPolarHBondContact O-CB 3.42Å; D269-I273 WeakPolarHBondContact O-CD1 3.3Å; D269-I273 VanDerWaalsContact O-CG1 3.23Å; D269-I273 WeakPolarHBondContact O-CG1 3.46Å; D269-I273 PolarHBondContact O-N 3.22Å
270K69.9Low67.8Low91 Ų91100.9 Ų100.940%0.39653%0.528SS..Hα-helixtrans-63.9-51.1176.2-77.8-176.2175-167.10111.6P265 T266 G268 Q272 I273 E274P265-K270 HydrophobicContact CB-CG 3.96Å; P265-K270 HydrophobicContact CG-CD 4.41Å; P265-K270 HydrophobicContact CG-CG 3.76Å; P265-K270 WeakPolarHBondContact O-CD 3.33Å; P265-K270 WeakPolarHBondContact O-CE 3.45Å; P265-K270 WeakPolarHBondContact O-CG 3.49Å; T266-K270 WeakPolarHBondContact O-CB 3.18Å; T266-K270 PolarHBondContact O-N 3.47Å; G268-K270 VanDerWaalsContact C-N 3.29Å; G268-K270 PolarHBondContact O-N 2.84Å; K270-Q272 VanDerWaalsContact C-N 3.28Å; K270-Q272 PolarHBondContact O-N 3.14Å; K270-I273 PolarHBondContact O-N 3.15Å; K270-E274 VanDerWaalsContact O-CB 3.25Å; K270-E274 WeakPolarHBondContact O-CB 3.5Å; K270-E274 PolarHBondContact O-N 3.21Å
271K73.1Confident69.9Low114 Ų114101.3 Ų101.350%0.49651%0.511SS..Hα-helixtrans-60.7-39.7179.5-72.2165.4-175.31690110.5E267 G268 E274 E275E267-K271 VanDerWaalsContact O-CB 3.22Å; E267-K271 WeakPolarHBondContact O-CB 3.38Å; E267-K271 WeakPolarHBondContact O-CD 3.39Å; E267-K271 WeakPolarHBondContact O-CG 3.47Å; E267-K271 PolarHBondContact O-N 3.27Å; E267-K271 IonicContact OE2-NZ 3.37Å; E267-K271 PolarHBondContact OE2-NZ 2.67Å; G268-K271 PolarHBondContact O-N 2.87Å; K271-E274 PolarHBondContact O-N 3.3Å; K271-E275 WeakPolarHBondContact O-CB 3.37Å; K271-E275 PolarHBondContact O-N 3.38Å
272Q75.4Confident72.5Confident129 Ų12995 Ų9560%0.60347%0.473SS*.Hα-helixtrans-64.9-44.1174.8-71.7178.312.300113.3G268 K270 Q276G268-Q272 WeakPolarHBondContact O-CG 3.35Å; G268-Q272 PolarHBondContact O-N 3.03Å; K270-Q272 VanDerWaalsContact C-N 3.28Å; K270-Q272 PolarHBondContact O-N 3.14Å; Q272-Q276 VanDerWaalsContact O-CB 3.28Å; Q272-Q276 WeakPolarHBondContact O-CB 3.36Å; Q272-Q276 PolarHBondContact O-N 3.15Å
273I80.4Confident74.9Confident95 Ų9593 Ų9349%0.48746%0.458SS..Hα-helixtrans-66-41.8177.4-69.7165.5000110.8D269 K270 Q276 Q277D269-I273 WeakPolarHBondContact O-CB 3.42Å; D269-I273 WeakPolarHBondContact O-CD1 3.3Å; D269-I273 VanDerWaalsContact O-CG1 3.23Å; D269-I273 WeakPolarHBondContact O-CG1 3.46Å; D269-I273 PolarHBondContact O-N 3.22Å; K270-I273 PolarHBondContact O-N 3.15Å; I273-Q276 PolarHBondContact O-N 3.35Å; I273-Q277 WeakPolarHBondContact O-CB 3.44Å; I273-Q277 VanDerWaalsContact O-CG 3.27Å; I273-Q277 WeakPolarHBondContact O-CG 3.36Å; I273-Q277 PolarHBondContact O-N 3.5Å
274E84.6Confident77Confident115 Ų11590.5 Ų90.554%0.53745%0.452SS..Hα-helixtrans-68-44.1178.1-175.5168.6-16900111.8K270 K271 Q276 Q277 N278K270-E274 VanDerWaalsContact O-CB 3.25Å; K270-E274 WeakPolarHBondContact O-CB 3.5Å; K270-E274 PolarHBondContact O-N 3.21Å; K271-E274 PolarHBondContact O-N 3.3Å; E274-Q276 PolarHBondContact O-N 2.74Å; E274-Q277 PolarHBondContact O-N 2.91Å; E274-N278 VanDerWaalsContact O-CB 3.29Å; E274-N278 WeakPolarHBondContact O-CB 3.3Å; E274-N278 VanDerWaalsContact O-CG 3.26Å; E274-N278 PolarHBondContact O-N 3.48Å; E274-N278 PolarHBondContact O-ND2 2.79Å
275E85.4Confident79.3Confident99 Ų9985.2 Ų85.246%0.46343%0.429SS..Hα-helixtrans-59.9-43.3173.3-173.3-170.8150.200111.4K271 N278 K279K271-E275 WeakPolarHBondContact O-CB 3.37Å; K271-E275 PolarHBondContact O-N 3.38Å; E275-N278 PolarHBondContact O-N 2.72Å; E275-K279 HydrophobicContact CG-CD 4.24Å; E275-K279 WeakPolarHBondContact O-CB 3.27Å; E275-K279 WeakPolarHBondContact O-CG 3.37Å; E275-K279 PolarHBondContact O-N 2.87Å; E275-K279 WeakPolarHBondContact OE1-CE 3.48Å; E275-K279 IonicContact OE1-NZ 3.85Å; E275-K279 PolarHBondContact OE1-NZ 3.03Å
276Q86.3Confident81.8Confident121 Ų12183.8 Ų83.857%0.56542%0.417SS*.Hα-helixtrans-67.4-37.7176.9-173.661.71900112.3Q272 I273 E274 Q280Q272-Q276 VanDerWaalsContact O-CB 3.28Å; Q272-Q276 WeakPolarHBondContact O-CB 3.36Å; Q272-Q276 PolarHBondContact O-N 3.15Å; I273-Q276 PolarHBondContact O-N 3.35Å; E274-Q276 PolarHBondContact O-N 2.74Å; Q276-Q280 WeakPolarHBondContact O-CB 3.19Å; Q276-Q280 PolarHBondContact O-N 3.22Å
277Q89.3Confident83.7Confident127 Ų12783.8 Ų83.859%0.59341%0.414SS*.Hα-helixtrans-65.7-40.7172.6-74.8175.218.500111.7I273 E274 Q280 K281I273-Q277 WeakPolarHBondContact O-CB 3.44Å; I273-Q277 VanDerWaalsContact O-CG 3.27Å; I273-Q277 WeakPolarHBondContact O-CG 3.36Å; I273-Q277 PolarHBondContact O-N 3.5Å; E274-Q277 PolarHBondContact O-N 2.91Å; Q277-Q280 PolarHBondContact O-N 3.35Å; Q277-K281 WeakPolarHBondContact O-CB 3.39Å; Q277-K281 PolarHBondContact O-N 2.67Å
278N91.1Very high85.4Confident55 Ų5581 Ų8129%0.29440%0.403SS..Hα-helixtrans-66.9-42.3177.7-77.9-28.3000112.1E274 E275 Q280 K281 A282 A311E274-N278 VanDerWaalsContact O-CB 3.29Å; E274-N278 WeakPolarHBondContact O-CB 3.3Å; E274-N278 VanDerWaalsContact O-CG 3.26Å; E274-N278 PolarHBondContact O-N 3.48Å; E274-N278 PolarHBondContact O-ND2 2.79Å; E275-N278 PolarHBondContact O-N 2.72Å; N278-Q280 PolarHBondContact O-N 2.78Å; N278-K281 WeakPolarHBondContact O-CB 3.42Å; N278-K281 PolarHBondContact O-N 3.08Å; N278-A282 WeakPolarHBondContact O-CB 3.31Å; N278-A282 PolarHBondContact O-N 2.84Å; N278-A311 WeakPolarHBondContact CB-O 3.35Å
279K91.1Very high87.1Confident61 Ų6179.3 Ų79.327%0.26539%0.385SS..Hα-helixtrans-58.5-45.5169.7-76.4169.3171.2173.70111.9E275 K281 A282 I283E275-K279 HydrophobicContact CG-CD 4.24Å; E275-K279 WeakPolarHBondContact O-CB 3.27Å; E275-K279 WeakPolarHBondContact O-CG 3.37Å; E275-K279 PolarHBondContact O-N 2.87Å; E275-K279 WeakPolarHBondContact OE1-CE 3.48Å; E275-K279 IonicContact OE1-NZ 3.85Å; E275-K279 PolarHBondContact OE1-NZ 3.03Å; K279-K281 PolarHBondContact O-N 3.37Å; K279-A282 PolarHBondContact O-N 2.6Å; K279-I283 WeakPolarHBondContact O-CG1 3.46Å; K279-I283 PolarHBondContact O-N 2.89Å
280Q90.6Very high88.6Confident110 Ų11077.9 Ų77.951%0.51438%0.378SS..Hα-helixtrans-65.3-36.7177.3-173.557.27500112.9Q276 Q277 N278 I283 S284Q276-Q280 WeakPolarHBondContact O-CB 3.19Å; Q276-Q280 PolarHBondContact O-N 3.22Å; Q277-Q280 PolarHBondContact O-N 3.35Å; N278-Q280 PolarHBondContact O-N 2.78Å; Q280-I283 PolarHBondContact O-N 2.6Å; Q280-S284 PolarHBondContact O-N 3.46Å; Q280-S284 VanDerWaalsContact O-N 3.13Å
281K92.5Very high89.9Confident110 Ų11074.9 Ų74.948%0.47837%0.372SS..Hα-helixtrans-64.9-43.8172.9179.2-177.1174.1-171.20111.5Q277 N278 K279 I283 S284 E285 A311Q277-K281 WeakPolarHBondContact O-CB 3.39Å; Q277-K281 PolarHBondContact O-N 2.67Å; N278-K281 WeakPolarHBondContact O-CB 3.42Å; N278-K281 PolarHBondContact O-N 3.08Å; K279-K281 PolarHBondContact O-N 3.37Å; K281-I283 VanDerWaalsContact C-N 3.34Å; K281-I283 PolarHBondContact O-N 3.2Å; K281-S284 WeakPolarHBondContact O-CB 3.2Å; K281-S284 PolarHBondContact O-N 3.22Å; K281-S284 VanDerWaalsContact O-N 3.16Å; K281-E285 WeakPolarHBondContact O-CG 3.21Å; K281-E285 PolarHBondContact O-N 2.91Å; K281-A311 HydrophobicContact CB-CB 4.44Å; K281-A311 HydrophobicContact CD-CB 4.07Å; K281-A311 HydrophobicContact CG-CB 4.25Å
282A93.8Very high91Very high0 Ų072 Ų720%036%0.36CS..Hα-helixtrans-63-37.8177.100000112.7N278 K279 K286 A311 D312 L318N278-A282 WeakPolarHBondContact O-CB 3.31Å; N278-A282 PolarHBondContact O-N 2.84Å; K279-A282 PolarHBondContact O-N 2.6Å; A282-K286 VanDerWaalsContact O-CB 3.26Å; A282-K286 WeakPolarHBondContact O-CB 3.47Å; A282-K286 PolarHBondContact O-N 2.83Å; A282-A311 HydrophobicContact CB-CB 4.12Å; A282-D312 HydrophobicContact CB-CB 3.36Å; A282-L318 HydrophobicContact CB-CD1 4.05Å
283I93.7Very high92Very high68 Ų6868.3 Ų68.335%0.34934%0.342SS..Hα-helixtrans-63.1-42.8172.2-67.8164.1000111.1K279 Q280 K281 K286 D287K279-I283 WeakPolarHBondContact O-CG1 3.46Å; K279-I283 PolarHBondContact O-N 2.89Å; Q280-I283 PolarHBondContact O-N 2.6Å; K281-I283 VanDerWaalsContact C-N 3.34Å; K281-I283 PolarHBondContact O-N 3.2Å; I283-K286 WeakPolarHBondContact O-CB 3.45Å; I283-K286 PolarHBondContact O-N 3.36Å; I283-D287 PolarHBondContact O-N 2.95Å; I283-D287 VanDerWaalsContact O-N 3.13Å
284S93.3Very high92.7Very high78 Ų7872.5 Ų72.555%0.54536%0.357SS..Hα-helixtrans-63.3-48.4177.4-167.10000112.2Q280 K281 K286 D287 L288Q280-S284 PolarHBondContact O-N 3.46Å; Q280-S284 VanDerWaalsContact O-N 3.13Å; K281-S284 WeakPolarHBondContact O-CB 3.2Å; K281-S284 PolarHBondContact O-N 3.22Å; K281-S284 VanDerWaalsContact O-N 3.16Å; S284-K286 VanDerWaalsContact C-N 3.35Å; S284-K286 PolarHBondContact O-N 2.86Å; S284-D287 PolarHBondContact O-N 3.3Å; S284-D287 VanDerWaalsContact O-N 3.15Å; S284-L288 PolarHBondContact O-N 3.29Å
285E95.2Very high93.2Very high27 Ų2772.3 Ų72.313%0.12636%0.356CS..Hα-helixtrans-64.9-35.6177.9-70.6-79.5-156.900112.5K281 G289 R307K281-E285 WeakPolarHBondContact O-CG 3.21Å; K281-E285 PolarHBondContact O-N 2.91Å; E285-G289 PolarHBondContact O-N 3.05Å; E285-R307 VanDerWaalsContact CD-NE 3.35Å; E285-R307 HydrophobicContact CG-CB 4.24Å; E285-R307 WeakPolarHBondContact OE1-CB 3.43Å; E285-R307 IonicContact OE1-CZ 2.83Å; E285-R307 IonicContact OE1-NE 2.78Å; E285-R307 PolarHBondContact OE1-NE 3.15Å; E285-R307 IonicContact OE1-NH2 2.66Å; E285-R307 IonicContact OE2-CZ 2.65Å; E285-R307 IonicContact OE2-NE 3.28Å; E285-R307 PolarHBondContact OE2-NE 3.36Å; E285-R307 IonicContact OE2-NH2 3.97Å; E285-R307 PolarHBondContact OE2-NH2 3.22Å
286K95.9Very high93.6Very high32 Ų3269.1 Ų69.114%0.13935%0.35CS..Hα-helixtrans-56.8-47.6169.8170.9-17262.5690111.2A282 I283 S284 G289 N290 L318A282-K286 VanDerWaalsContact O-CB 3.26Å; A282-K286 WeakPolarHBondContact O-CB 3.47Å; A282-K286 PolarHBondContact O-N 2.83Å; I283-K286 WeakPolarHBondContact O-CB 3.45Å; I283-K286 PolarHBondContact O-N 3.36Å; S284-K286 VanDerWaalsContact C-N 3.35Å; S284-K286 PolarHBondContact O-N 2.86Å; K286-G289 PolarHBondContact O-N 3.32Å; K286-N290 WeakPolarHBondContact O-CB 3.43Å; K286-N290 PolarHBondContact O-N 3.33Å; K286-N290 PolarHBondContact O-ND2 3.36Å; K286-L318 HydrophobicContact CB-CD2 3.81Å; K286-L318 HydrophobicContact CB-CG 4.4Å; K286-L318 HydrophobicContact CG-CD2 4.45Å
287D94.7Very high94.1Very high80 Ų8068.3 Ų68.343%0.42834%0.344SS..Hα-helixtrans-79.2-28.9-174.7-69.7-36.3000113.5I283 S284 N290 G291I283-D287 PolarHBondContact O-N 2.95Å; I283-D287 VanDerWaalsContact O-N 3.13Å; S284-D287 PolarHBondContact O-N 3.3Å; S284-D287 VanDerWaalsContact O-N 3.15Å; D287-N290 PolarHBondContact O-N 3.23Å; D287-N290 PolarHBondContact OD1-ND2 3.07Å; D287-G291 PolarHBondContact O-N 3.37Å
288L94.6Very high94.5Very high82 Ų8265.3 Ų65.343%0.42933%0.328SS..Hα-helixtrans-62.6-44.9164.5-17762.2000111.6S284 G291 F292S284-L288 PolarHBondContact O-N 3.29Å; L288-G291 WeakPolarHBondContact O-CA 3.49Å; L288-G291 PolarHBondContact O-N 2.96Å; L288-G291 VanDerWaalsContact O-N 3.11Å; L288-F292 HydrophobicContact CD1-CD2 4.36Å; L288-F292 HydrophobicContact CD1-CE2 3.73Å; L288-F292 HydrophobicContact CD1-CZ 4.21Å; L288-F292 HydrophobicContact CD2-CE2 4.33Å; L288-F292 HydrophobicContact CG-CD2 4.21Å; L288-F292 HydrophobicContact CG-CE2 3.77Å; L288-F292 WeakPolarHBondContact O-CD2 3.38Å; L288-F292 PolarHBondContact O-N 2.61Å; L288-F292 VanDerWaalsContact O-N 3.09Å
289G95.6Very high94.7Very high0 Ų067.7 Ų67.70%034%0.337CS..Hα-helixtrans-62.3-40.7174.200000113.1E285 K286 G291 F292 F293 A301 Y305E285-G289 PolarHBondContact O-N 3.05Å; K286-G289 PolarHBondContact O-N 3.32Å; G289-G291 PolarHBondContact O-N 3.4Å; G289-F292 PolarHBondContact O-N 2.98Å; G289-F293 WeakPolarHBondContact O-CB 3.29Å; G289-F293 PolarHBondContact O-N 3.17Å; G289-A301 WeakPolarHBondContact O-CB 3.05Å; G289-Y305 VanDerWaalsContact C-OH 3.32Å; G289-Y305 PolarHBondContact O-OH 2.96Å
290N94.9Very high94.9Very high41 Ų4171.3 Ų71.322%0.21935%0.349CS..Hα-helixtrans-61.5-32172.6-70.8-32.8000111.9K286 D287 K294 Y305 N321K286-N290 WeakPolarHBondContact O-CB 3.43Å; K286-N290 PolarHBondContact O-N 3.33Å; K286-N290 PolarHBondContact O-ND2 3.36Å; D287-N290 PolarHBondContact O-N 3.23Å; D287-N290 PolarHBondContact OD1-ND2 3.07Å; N290-K294 WeakPolarHBondContact O-CG 3.3Å; N290-K294 PolarHBondContact O-N 3.48Å; N290-Y305 PolarHBondContact N-OH 2.85Å; N290-Y305 PolarHBondContact OD1-OH 3.32Å; N290-N321 PolarHBondContact OD1-ND2 3.47Å
291G95.9Very high95.2Very high28 Ų2866 Ų6629%0.28933%0.325SS..Hα-helixtrans-63.7-60.3171.500000111.9D287 L288 G289 F293 K294 E295D287-G291 PolarHBondContact O-N 3.37Å; L288-G291 WeakPolarHBondContact O-CA 3.49Å; L288-G291 PolarHBondContact O-N 2.96Å; L288-G291 VanDerWaalsContact O-N 3.11Å; G289-G291 PolarHBondContact O-N 3.4Å; G291-F293 PolarHBondContact O-N 3.05Å; G291-K294 WeakPolarHBondContact O-CB 3.49Å; G291-K294 PolarHBondContact O-N 2.76Å; G291-E295 PolarHBondContact O-N 3.03Å; G291-E295 VanDerWaalsContact O-N 3.1Å
292F96.8Very high95.4Very high54 Ų5461.7 Ų61.724%0.23731%0.307CS..Hα-helixtrans-59.3-32.2179-69.3-53.7000113.5L288 G289 E295 G296 K297 R300 A301L288-F292 HydrophobicContact CD1-CD2 4.36Å; L288-F292 HydrophobicContact CD1-CE2 3.73Å; L288-F292 HydrophobicContact CD1-CZ 4.21Å; L288-F292 HydrophobicContact CD2-CE2 4.33Å; L288-F292 HydrophobicContact CG-CD2 4.21Å; L288-F292 HydrophobicContact CG-CE2 3.77Å; L288-F292 WeakPolarHBondContact O-CD2 3.38Å; L288-F292 PolarHBondContact O-N 2.61Å; L288-F292 VanDerWaalsContact O-N 3.09Å; G289-F292 PolarHBondContact O-N 2.98Å; F292-E295 CarbonylContact O-C 3.36Å; F292-E295 PolarHBondContact O-N 2.9Å; F292-G296 PolarHBondContact O-N 3.11Å; F292-K297 HydrophobicContact CB-CB 4.29Å; F292-K297 HydrophobicContact CD1-CB 4.47Å; F292-K297 HydrophobicContact CD1-CD 4.16Å; F292-K297 PolarHBondContact O-N 3.3Å; F292-R300 HydrophobicContact CB-CB 4.22Å; F292-R300 HydrophobicContact CD1-CB 4.33Å; F292-R300 HydrophobicContact CD2-CB 4.1Å; F292-R300 HydrophobicContact CG-CB 3.97Å; F292-A301 HydrophobicContact CB-CB 4.13Å
293F96.6Very high95.5Very high51 Ų5165.5 Ų65.522%0.22432%0.324CS..Hα-helixtrans-64.4-38.1174-173.8-86.1000112.4G289 G291 E295 G296 Y298 A301 M324 A325 K328G289-F293 WeakPolarHBondContact O-CB 3.29Å; G289-F293 PolarHBondContact O-N 3.17Å; G291-F293 PolarHBondContact O-N 3.05Å; F293-E295 VanDerWaalsContact C-N 3.35Å; F293-G296 PolarHBondContact O-N 3.41Å; F293-Y298 AromaticContact CD2-CD1 3.66Å; F293-Y298 HydrophobicContact CD2-CD1 3.66Å; F293-Y298 AromaticContact CD2-CE1 3.89Å; F293-Y298 HydrophobicContact CD2-CE1 3.89Å; F293-Y298 AromaticContact CE2-CD1 3.76Å; F293-Y298 HydrophobicContact CE2-CD1 3.76Å; F293-Y298 AromaticContact CE2-CE1 3.76Å; F293-Y298 HydrophobicContact CE2-CE1 3.76Å; F293-Y298 HydrophobicContact CG-CD1 4.38Å; F293-Y298 HydrophobicContact CG-CE1 4.35Å; F293-Y298 HydrophobicContact CZ-CE1 4.11Å; F293-A301 HydrophobicContact CB-CB 4.09Å; F293-M324 HydrophobicContact CE2-CG 3.84Å; F293-M324 HydrophobicContact CZ-CG 3.61Å; F293-M324 HydrophobicContact CZ-SD 4.43Å; F293-A325 HydrophobicContact CD2-CB 4.13Å; F293-A325 HydrophobicContact CE2-CB 4.27Å; F293-K328 HydrophobicContact CE2-CG 4.2Å; F293-K328 HydrophobicContact CZ-CG 4.26Å
294K95.5Very high95.7Very high184 Ų18462.3 Ų62.380%0.831%0.308SS*.Hα-helixtrans-70.1-31.6173.7-71.1170.4-179.31790112.5N290 G291 G296N290-K294 WeakPolarHBondContact O-CG 3.3Å; N290-K294 PolarHBondContact O-N 3.48Å; G291-K294 WeakPolarHBondContact O-CB 3.49Å; G291-K294 PolarHBondContact O-N 2.76Å; K294-G296 PolarHBondContact O-N 3.36Å
295E95.2Very high95.9Very high111 Ų11158.7 Ų58.752%0.51928%0.283SS..THydrogen-bonded Turntrans-74.5-3172.1-64.7177.3-153.400113.6G291 F292 F293 K297G291-E295 PolarHBondContact O-N 3.03Å; G291-E295 VanDerWaalsContact O-N 3.1Å; F292-E295 CarbonylContact O-C 3.36Å; F292-E295 PolarHBondContact O-N 2.9Å; F293-E295 VanDerWaalsContact C-N 3.35Å; E295-K297 HydrophobicContact CB-CD 4.18Å; E295-K297 HydrophobicContact CB-CG 4.25Å; E295-K297 PolarHBondContact O-N 3.1Å; E295-K297 WeakPolarHBondContact OE2-CD 3.48Å; E295-K297 VanDerWaalsContact OE2-CE 3.29Å; E295-K297 WeakPolarHBondContact OE2-CE 3.43Å; E295-K297 IonicContact OE2-NZ 2.74Å; E295-K297 PolarHBondContact OE2-NZ 2.88Å
296G93.8Very high95.9Very high32 Ų3260 Ų6033%0.3329%0.293SS..THydrogen-bonded Turntrans747.1-176.200000114.9F292 F293 K294 Y298F292-G296 PolarHBondContact O-N 3.11Å; F293-G296 PolarHBondContact O-N 3.41Å; K294-G296 PolarHBondContact O-N 3.36Å; G296-Y298 VanDerWaalsContact C-N 3.28Å; G296-Y298 VanDerWaalsContact O-CD2 3.3Å; G296-Y298 WeakPolarHBondContact O-CD2 3.36Å; G296-Y298 WeakPolarHBondContact O-CE2 3.35Å; G296-Y298 PolarHBondContact O-N 3.27Å; G296-Y298 VanDerWaalsContact O-N 3.07Å
297K96.4Very high95.9Very high103 Ų10363.1 Ų63.145%0.44830%0.303SS..  trans-86.865.5-179.1-64172.3-172.3163.10110.2F292 E295 E299 R300 A301F292-K297 HydrophobicContact CB-CB 4.29Å; F292-K297 HydrophobicContact CD1-CB 4.47Å; F292-K297 HydrophobicContact CD1-CD 4.16Å; F292-K297 PolarHBondContact O-N 3.3Å; E295-K297 HydrophobicContact CB-CD 4.18Å; E295-K297 HydrophobicContact CB-CG 4.25Å; E295-K297 PolarHBondContact O-N 3.1Å; E295-K297 WeakPolarHBondContact OE2-CD 3.48Å; E295-K297 VanDerWaalsContact OE2-CE 3.29Å; E295-K297 WeakPolarHBondContact OE2-CE 3.43Å; E295-K297 IonicContact OE2-NZ 2.74Å; E295-K297 PolarHBondContact OE2-NZ 2.88Å; K297-E299 VanDerWaalsContact C-N 3.32Å; K297-E299 PolarHBondContact O-N 3.11Å; K297-R300 HydrophobicContact CB-CB 4.28Å; K297-R300 HydrophobicContact CB-CG 4.46Å; K297-R300 PolarHBondContact O-N 2.93Å; K297-R300 VanDerWaalsContact O-N 3.17Å; K297-A301 PolarHBondContact O-N 3.2Å
298Y96.6Very high96Very high64 Ų6459.3 Ų59.325%0.25128%0.283SS..Hα-helixtrans-61.6-34.6-167.3-57.2-57.3000113.9F293 G296 A301 I302 K328 I329F293-Y298 AromaticContact CD2-CD1 3.66Å; F293-Y298 HydrophobicContact CD2-CD1 3.66Å; F293-Y298 AromaticContact CD2-CE1 3.89Å; F293-Y298 HydrophobicContact CD2-CE1 3.89Å; F293-Y298 AromaticContact CE2-CD1 3.76Å; F293-Y298 HydrophobicContact CE2-CD1 3.76Å; F293-Y298 AromaticContact CE2-CE1 3.76Å; F293-Y298 HydrophobicContact CE2-CE1 3.76Å; F293-Y298 HydrophobicContact CG-CD1 4.38Å; F293-Y298 HydrophobicContact CG-CE1 4.35Å; F293-Y298 HydrophobicContact CZ-CE1 4.11Å; G296-Y298 VanDerWaalsContact C-N 3.28Å; G296-Y298 VanDerWaalsContact O-CD2 3.3Å; G296-Y298 WeakPolarHBondContact O-CD2 3.36Å; G296-Y298 WeakPolarHBondContact O-CE2 3.35Å; G296-Y298 PolarHBondContact O-N 3.27Å; G296-Y298 VanDerWaalsContact O-N 3.07Å; Y298-A301 WeakPolarHBondContact O-CB 3.5Å; Y298-A301 PolarHBondContact O-N 2.92Å; Y298-I302 WeakPolarHBondContact O-CD1 3.48Å; Y298-I302 WeakPolarHBondContact O-CG1 3.42Å; Y298-I302 PolarHBondContact O-N 3.11Å; Y298-K328 HydrophobicContact CD1-CB 3.99Å; Y298-K328 HydrophobicContact CD1-CG 4.24Å; Y298-K328 HydrophobicContact CD2-CB 3.78Å; Y298-K328 HydrophobicContact CE1-CB 3.99Å; Y298-K328 HydrophobicContact CE1-CG 3.86Å; Y298-K328 HydrophobicContact CE2-CB 3.77Å; Y298-K328 HydrophobicContact CE2-CG 4.31Å; Y298-K328 HydrophobicContact CG-CB 3.9Å; Y298-I329 HydrophobicContact CD2-CG1 4.47Å; Y298-I329 HydrophobicContact CG-CG1 4.48Å
299E95.9Very high96Very high106 Ų10656.6 Ų56.650%0.49527%0.268SS..Hα-helixtrans-64.1-44.9176.7-61.969.2-153.300110.9K297 A301 I302 E303 I329K297-E299 VanDerWaalsContact C-N 3.32Å; K297-E299 PolarHBondContact O-N 3.11Å; E299-A301 VanDerWaalsContact C-N 3.32Å; E299-A301 PolarHBondContact O-N 2.69Å; E299-I302 WeakPolarHBondContact O-CB 3.39Å; E299-I302 PolarHBondContact O-N 3.46Å; E299-I302 VanDerWaalsContact O-N 3.17Å; E299-E303 PolarHBondContact O-N 2.9Å; E299-I329 HydrophobicContact CG-CD1 4.15Å; E299-I329 WeakPolarHBondContact OE1-CD1 3.5Å; E299-I329 WeakPolarHBondContact OE1-CG1 3.5Å
300R95.6Very high95.9Very high136 Ų13660.9 Ų60.951%0.51330%0.304SS..Hα-helixtrans-66.2-35.3175.3-63.8-55.6-158.91495.9111.8F292 K297 E303 C304F292-R300 HydrophobicContact CB-CB 4.22Å; F292-R300 HydrophobicContact CD1-CB 4.33Å; F292-R300 HydrophobicContact CD2-CB 4.1Å; F292-R300 HydrophobicContact CG-CB 3.97Å; K297-R300 HydrophobicContact CB-CB 4.28Å; K297-R300 HydrophobicContact CB-CG 4.46Å; K297-R300 PolarHBondContact O-N 2.93Å; K297-R300 VanDerWaalsContact O-N 3.17Å; R300-E303 WeakPolarHBondContact CD-OE2 3.32Å; R300-E303 IonicContact CZ-OE2 2.74Å; R300-E303 IonicContact NE-OE2 2.75Å; R300-E303 IonicContact NH1-OE1 2.7Å; R300-E303 IonicContact NH1-OE2 3.71Å; R300-E303 PolarHBondContact NH1-OE2 3.43Å; R300-E303 WeakPolarHBondContact O-CB 3.29Å; R300-E303 PolarHBondContact O-N 3.38Å; R300-C304 PolarHBondContact O-N 3.28Å; R300-C304 VanDerWaalsContact O-N 3.11Å; R300-C304 PolarHBondContact O-SG 3.09Å
301A96.8Very high95.8Very high0 Ų059.8 Ų59.80%030%0.301CS..Hα-helixtrans-62.4-42.6171.600000111.4G289 F292 F293 K297 Y298 E299 C304 Y305G289-A301 WeakPolarHBondContact O-CB 3.05Å; F292-A301 HydrophobicContact CB-CB 4.13Å; F293-A301 HydrophobicContact CB-CB 4.09Å; K297-A301 PolarHBondContact O-N 3.2Å; Y298-A301 WeakPolarHBondContact O-CB 3.5Å; Y298-A301 PolarHBondContact O-N 2.92Å; E299-A301 VanDerWaalsContact C-N 3.32Å; E299-A301 PolarHBondContact O-N 2.69Å; A301-C304 PolarHBondContact O-N 3.31Å; A301-Y305 HydrophobicContact CB-CD2 4.38Å; A301-Y305 HydrophobicContact CB-CE2 3.83Å; A301-Y305 WeakPolarHBondContact O-CD2 3.34Å; A301-Y305 VanDerWaalsContact O-CG 3.27Å; A301-Y305 PolarHBondContact O-N 3.01Å
302I97Very high95.6Very high19 Ų1959.2 Ų59.210%0.09729%0.291CS..Hα-helixtrans-62.6-40.9175.8-72.6158.1000112.1Y298 E299 C304 T306 R322 A325 Y326 I329Y298-I302 WeakPolarHBondContact O-CD1 3.48Å; Y298-I302 WeakPolarHBondContact O-CG1 3.42Å; Y298-I302 PolarHBondContact O-N 3.11Å; E299-I302 WeakPolarHBondContact O-CB 3.39Å; E299-I302 PolarHBondContact O-N 3.46Å; E299-I302 VanDerWaalsContact O-N 3.17Å; I302-C304 PolarHBondContact O-N 3.28Å; I302-T306 VanDerWaalsContact O-CB 3.25Å; I302-T306 WeakPolarHBondContact O-CB 3.34Å; I302-T306 PolarHBondContact O-N 2.91Å; I302-T306 PolarHBondContact O-OG1 2.93Å; I302-R322 HydrophobicContact CB-CG 4.35Å; I302-R322 HydrophobicContact CG1-CG 4.01Å; I302-R322 HydrophobicContact CG2-CG 4.14Å; I302-A325 HydrophobicContact CD1-CB 3.86Å; I302-A325 HydrophobicContact CG1-CB 3.57Å; I302-Y326 HydrophobicContact CD1-CD1 3.55Å; I302-Y326 HydrophobicContact CD1-CE1 3.62Å; I302-Y326 HydrophobicContact CD1-CG 4.11Å; I302-Y326 HydrophobicContact CG1-CD1 4.38Å; I302-Y326 HydrophobicContact CG1-CE1 4.24Å; I302-Y326 HydrophobicContact CG2-CE1 4.01Å; I302-Y326 HydrophobicContact CG2-CE2 4.48Å; I302-I329 HydrophobicContact CD1-CD1 3.38Å
303E96.6Very high95.2Very high80 Ų8060.5 Ų60.537%0.37431%0.307SS..Hα-helixtrans-56.1-49.4171.7-69.2171.8-171.200110.9E299 R300 T306 R307E299-E303 PolarHBondContact O-N 2.9Å; R300-E303 WeakPolarHBondContact CD-OE2 3.32Å; R300-E303 IonicContact CZ-OE2 2.74Å; R300-E303 IonicContact NE-OE2 2.75Å; R300-E303 IonicContact NH1-OE1 2.7Å; R300-E303 IonicContact NH1-OE2 3.71Å; R300-E303 PolarHBondContact NH1-OE2 3.43Å; R300-E303 WeakPolarHBondContact O-CB 3.29Å; R300-E303 PolarHBondContact O-N 3.38Å; E303-T306 PolarHBondContact O-N 3.48Å; E303-R307 WeakPolarHBondContact O-CG 3.42Å; E303-R307 PolarHBondContact O-N 3.06Å
304C96.3Very high94.9Very high1 Ų162.1 Ų62.11%0.00732%0.321CS..Hα-helixtrans-64.3-49.2-179.1-58.60000111.9R300 A301 I302 T306 R307 G308R300-C304 PolarHBondContact O-N 3.28Å; R300-C304 VanDerWaalsContact O-N 3.11Å; R300-C304 PolarHBondContact O-SG 3.09Å; A301-C304 PolarHBondContact O-N 3.31Å; I302-C304 PolarHBondContact O-N 3.28Å; C304-T306 VanDerWaalsContact C-N 3.25Å; C304-T306 PolarHBondContact O-N 3.37Å; C304-R307 PolarHBondContact O-N 3.13Å; C304-R307 PolarHBondContact SG-NH2 2.82Å; C304-G308 PolarHBondContact O-N 2.94Å
305Y97.2Very high94.8Very high2 Ų254.8 Ų54.81%0.00829%0.291CS..Hα-helixtrans-61-35.3176.6-58.6-45.1000112G289 N290 A301 G308 I309 L318 N321 R322 A325G289-Y305 VanDerWaalsContact C-OH 3.32Å; G289-Y305 PolarHBondContact O-OH 2.96Å; N290-Y305 PolarHBondContact N-OH 2.85Å; N290-Y305 PolarHBondContact OD1-OH 3.32Å; A301-Y305 HydrophobicContact CB-CD2 4.38Å; A301-Y305 HydrophobicContact CB-CE2 3.83Å; A301-Y305 WeakPolarHBondContact O-CD2 3.34Å; A301-Y305 VanDerWaalsContact O-CG 3.27Å; A301-Y305 PolarHBondContact O-N 3.01Å; Y305-G308 WeakPolarHBondContact O-CA 3.44Å; Y305-G308 PolarHBondContact O-N 3.45Å; Y305-I309 VanDerWaalsContact O-CG1 3.26Å; Y305-I309 WeakPolarHBondContact O-CG1 3.48Å; Y305-I309 PolarHBondContact O-N 2.99Å; Y305-L318 HydrophobicContact CD1-CD2 4.02Å; Y305-N321 HydrophobicContact CD1-CB 4.42Å; Y305-N321 HydrophobicContact CE1-CB 3.99Å; Y305-N321 HydrophobicContact CE2-CB 4.12Å; Y305-R322 HydrophobicContact CD2-CB 3.99Å; Y305-R322 HydrophobicContact CD2-CG 4.35Å; Y305-R322 HydrophobicContact CG-CB 4.26Å; Y305-A325 HydrophobicContact CE2-CB 4.44Å
306T96.6Very high94.7Very high55 Ų5550 Ų5034%0.33727%0.27SS..Hα-helixtrans-67.4-40.6176.1-58.40000112.1I302 E303 C304 G308 I309 A310 R322I302-T306 VanDerWaalsContact O-CB 3.25Å; I302-T306 WeakPolarHBondContact O-CB 3.34Å; I302-T306 PolarHBondContact O-N 2.91Å; I302-T306 PolarHBondContact O-OG1 2.93Å; E303-T306 PolarHBondContact O-N 3.48Å; C304-T306 VanDerWaalsContact C-N 3.25Å; C304-T306 PolarHBondContact O-N 3.37Å; T306-G308 VanDerWaalsContact C-N 3.28Å; T306-G308 PolarHBondContact O-N 3.18Å; T306-I309 PolarHBondContact O-N 3.34Å; T306-A310 WeakPolarHBondContact O-CB 3.48Å; T306-A310 PolarHBondContact O-N 3.25Å; T306-R322 VanDerWaalsContact OG1-CD 3.25Å; T306-R322 WeakPolarHBondContact OG1-CD 3.42Å; T306-R322 PolarHBondContact OG1-NH1 2.9Å
307R96.1Very high94.8Very high97 Ų9752.3 Ų52.337%0.36627%0.274SS..Hα-helixtrans-65-32.7170.8-66.7-169.9-51.3-89.9-3.8112.4E285 E303 C304 A311E285-R307 VanDerWaalsContact CD-NE 3.35Å; E285-R307 HydrophobicContact CG-CB 4.24Å; E285-R307 WeakPolarHBondContact OE1-CB 3.43Å; E285-R307 IonicContact OE1-CZ 2.83Å; E285-R307 IonicContact OE1-NE 2.78Å; E285-R307 PolarHBondContact OE1-NE 3.15Å; E285-R307 IonicContact OE1-NH2 2.66Å; E285-R307 IonicContact OE2-CZ 2.65Å; E285-R307 IonicContact OE2-NE 3.28Å; E285-R307 PolarHBondContact OE2-NE 3.36Å; E285-R307 IonicContact OE2-NH2 3.97Å; E285-R307 PolarHBondContact OE2-NH2 3.22Å; E303-R307 WeakPolarHBondContact O-CG 3.42Å; E303-R307 PolarHBondContact O-N 3.06Å; C304-R307 PolarHBondContact O-N 3.13Å; C304-R307 PolarHBondContact SG-NH2 2.82Å; R307-A311 PolarHBondContact O-N 2.74Å
308G95.4Very high94.7Very high0 Ų047.4 Ų47.40%025%0.253CS..Hα-helixtrans-62.9-51171.700000112.8C304 Y305 T306 A310 A311 D312C304-G308 PolarHBondContact O-N 2.94Å; Y305-G308 WeakPolarHBondContact O-CA 3.44Å; Y305-G308 PolarHBondContact O-N 3.45Å; T306-G308 VanDerWaalsContact C-N 3.28Å; T306-G308 PolarHBondContact O-N 3.18Å; G308-A310 VanDerWaalsContact C-N 3.27Å; G308-A310 PolarHBondContact O-N 3.43Å; G308-A311 PolarHBondContact O-N 2.7Å; G308-D312 PolarHBondContact O-N 3.33Å
309I95Very high94.7Very high24 Ų2444.4 Ų44.412%0.12324%0.241CC..Hα-helixtrans-63.6-33.9179.2-64.1160.8000111.4Y305 T306 A311 D312 S313 L318 P319 R322Y305-I309 VanDerWaalsContact O-CG1 3.26Å; Y305-I309 WeakPolarHBondContact O-CG1 3.48Å; Y305-I309 PolarHBondContact O-N 2.99Å; T306-I309 PolarHBondContact O-N 3.34Å; I309-A311 PolarHBondContact O-N 2.96Å; I309-D312 CarbonylContact O-C 3.41Å; I309-S313 PolarHBondContact O-N 2.99Å; I309-L318 HydrophobicContact CD1-CB 4.44Å; I309-L318 HydrophobicContact CG1-CB 3.73Å; I309-P319 HydrophobicContact CD1-CB 4.09Å; I309-R322 VanDerWaalsContact CD1-CZ 3.49Å
310A94.4Very high94.8Very high91 Ų9139.3 Ų39.375%0.75222%0.217SC*.THydrogen-bonded Turntrans-72.7-1217400000113.9T306 G308T306-A310 WeakPolarHBondContact O-CB 3.48Å; T306-A310 PolarHBondContact O-N 3.25Å; G308-A310 VanDerWaalsContact C-N 3.27Å; G308-A310 PolarHBondContact O-N 3.43Å
311A92.3Very high94.8Very high18 Ų1834.1 Ų34.115%0.14920%0.2CC..THydrogen-bonded Turntrans-99.6-43.3172.200000111.7N278 K281 A282 R307 G308 I309N278-A311 WeakPolarHBondContact CB-O 3.35Å; K281-A311 HydrophobicContact CB-CB 4.44Å; K281-A311 HydrophobicContact CD-CB 4.07Å; K281-A311 HydrophobicContact CG-CB 4.25Å; A282-A311 HydrophobicContact CB-CB 4.12Å; R307-A311 PolarHBondContact O-N 2.74Å; G308-A311 PolarHBondContact O-N 2.7Å; I309-A311 PolarHBondContact O-N 2.96Å
312D91.9Very high94.9Very high16 Ų1635.6 Ų35.69%0.08621%0.205CC..  trans-131.6104.8175.9-178.24.2000110.6A282 G308 I309 T314 N315A282-D312 HydrophobicContact CB-CB 3.36Å; G308-D312 PolarHBondContact O-N 3.33Å; I309-D312 CarbonylContact O-C 3.41Å; D312-T314 VanDerWaalsContact C-N 3.33Å; D312-T314 WeakPolarHBondContact OD1-CB 3.43Å; D312-T314 PolarHBondContact OD1-N 2.78Å; D312-T314 PolarHBondContact OD1-OG1 2.92Å; D312-N315 WeakPolarHBondContact OD2-CB 3.26Å
313S88.7Confident94.9Very high80 Ų8034.7 Ų34.756%0.55920%0.201SC*.SBendtrans-81.9-8.4177.356.80000113.7I309 L345I309-S313 PolarHBondContact O-N 2.99Å; S313-L345 WeakPolarHBondContact O-CD1 3.42Å; S313-L345 WeakPolarHBondContact O-CD2 3.42Å
314T90.1Very high94.9Very high86 Ų8633.3 Ų33.353%0.52820%0.195SC..SBendtrans-86.1-16.1-177.270.20000113.2D312 A316D312-T314 VanDerWaalsContact C-N 3.33Å; D312-T314 WeakPolarHBondContact OD1-CB 3.43Å; D312-T314 PolarHBondContact OD1-N 2.78Å; D312-T314 PolarHBondContact OD1-OG1 2.92Å; T314-A316 PolarHBondContact O-N 3.35Å
315N92.4Very high94.9Very high30 Ų3033.2 Ų33.216%0.1620%0.195CC..  trans-90.2101.4-168.9-176.7-17.8000113D312 L317 L318 P319D312-N315 WeakPolarHBondContact OD2-CB 3.26Å; N315-L317 PolarHBondContact O-N 3.37Å; N315-L317 VanDerWaalsContact O-N 3.15Å; N315-L317 VanDerWaalsContact OD1-CB 3.32Å; N315-L317 WeakPolarHBondContact OD1-CB 3.49Å; N315-L317 PolarHBondContact OD1-N 2.92Å; N315-L317 VanDerWaalsContact OD1-N 3.15Å; N315-L318 HydrophobicContact CB-CD1 4.24Å; N315-L318 PolarHBondContact O-N 3.49Å; N315-P319 WeakPolarHBondContact O-CD 3.26Å
316A93.8Very high95Very high10 Ų1035 Ų358%0.08320%0.201CC..THydrogen-bonded Turntrans-58.9-23.8-179.200000115.5T314 L318 P319 A320 L345 D346 Y349T314-A316 PolarHBondContact O-N 3.35Å; A316-L318 VanDerWaalsContact C-N 3.33Å; A316-L318 PolarHBondContact O-N 3.13Å; A316-P319 WeakPolarHBondContact O-CD 3.46Å; A316-A320 WeakPolarHBondContact O-CB 3.41Å; A316-A320 PolarHBondContact O-N 2.95Å; A316-L345 HydrophobicContact CB-CB 3.77Å; A316-D346 HydrophobicContact CB-CB 3.64Å; A316-Y349 HydrophobicContact CB-CD1 4.45Å
317L95.1Very high95Very high80 Ų8033.4 Ų33.442%0.41919%0.191SC..Hα-helixtrans-67.8-34.4-178.3-59.5169.2000112.1N315 N321 Y349N315-L317 PolarHBondContact O-N 3.37Å; N315-L317 VanDerWaalsContact O-N 3.15Å; N315-L317 VanDerWaalsContact OD1-CB 3.32Å; N315-L317 WeakPolarHBondContact OD1-CB 3.49Å; N315-L317 PolarHBondContact OD1-N 2.92Å; N315-L317 VanDerWaalsContact OD1-N 3.15Å; L317-N321 WeakPolarHBondContact O-CB 3.42Å; L317-N321 PolarHBondContact O-N 3.34Å; L317-Y349 HydrophobicContact CD2-CE1 4.16Å; L317-Y349 HydrophobicContact CD2-CE2 4.23Å; L317-Y349 WeakPolarHBondContact CD2-OH 3.17Å
318L95.5Very high95Very high0 Ų034.1 Ų34.10%020%0.197CC..Hα-helixtrans-65.9-57.3-176.7-88.6166.3000113.3A282 K286 Y305 I309 N315 A316 A320 N321 R322A282-L318 HydrophobicContact CB-CD1 4.05Å; K286-L318 HydrophobicContact CB-CD2 3.81Å; K286-L318 HydrophobicContact CB-CG 4.4Å; K286-L318 HydrophobicContact CG-CD2 4.45Å; Y305-L318 HydrophobicContact CD1-CD2 4.02Å; I309-L318 HydrophobicContact CD1-CB 4.44Å; I309-L318 HydrophobicContact CG1-CB 3.73Å; N315-L318 HydrophobicContact CB-CD1 4.24Å; N315-L318 PolarHBondContact O-N 3.49Å; A316-L318 VanDerWaalsContact C-N 3.33Å; A316-L318 PolarHBondContact O-N 3.13Å; L318-A320 VanDerWaalsContact C-N 3.32Å; L318-A320 PolarHBondContact O-N 3.03Å; L318-N321 PolarHBondContact O-N 3.15Å; L318-R322 PolarHBondContact O-N 3.46Å
319P97.1Very high95Very high1 Ų136.3 Ų36.31%0.00621%0.208CC..Hα-helixtrans-63.4-38176.625-31.9000111.3I309 N315 A316 N321 R322 A323 D338 Q341 A342 L345I309-P319 HydrophobicContact CD1-CB 4.09Å; N315-P319 WeakPolarHBondContact O-CD 3.26Å; A316-P319 WeakPolarHBondContact O-CD 3.46Å; P319-N321 VanDerWaalsContact C-N 3.34Å; P319-N321 PolarHBondContact O-N 2.97Å; P319-R322 PolarHBondContact O-N 2.98Å; P319-A323 PolarHBondContact O-N 3.42Å; P319-D338 HydrophobicContact CB-CB 4.45Å; P319-Q341 HydrophobicContact CB-CB 4.44Å; P319-Q341 HydrophobicContact CB-CG 4.43Å; P319-Q341 HydrophobicContact CG-CG 4.4Å; P319-A342 HydrophobicContact CG-CB 4.08Å; P319-L345 HydrophobicContact CG-CD1 4.32Å
320A96.8Very high95.1Very high0 Ų041.9 Ų41.90%023%0.233CC..Hα-helixtrans-61.4-38.6175.600000113.3A316 L318 A323 M324 A342 Y349 R355A316-A320 WeakPolarHBondContact O-CB 3.41Å; A316-A320 PolarHBondContact O-N 2.95Å; L318-A320 VanDerWaalsContact C-N 3.32Å; L318-A320 PolarHBondContact O-N 3.03Å; A320-A323 WeakPolarHBondContact O-CB 3.31Å; A320-M324 PolarHBondContact O-N 3.28Å; A320-M324 VanDerWaalsContact O-N 3.15Å; A320-A342 HydrophobicContact CB-CB 3.85Å; A320-Y349 HydrophobicContact CB-CD1 4.25Å; A320-Y349 HydrophobicContact CB-CE1 3.43Å; A320-Y349 VanDerWaalsContact CB-CE1 3.43Å; A320-R355 PolarHBondContact O-NH1 2.91Å
321N96.5Very high95.2Very high27 Ų2742.3 Ų42.314%0.14422%0.218CC..Hα-helixtrans-73.5-32.3176.4-80.34.8000112.2N290 Y305 L317 L318 P319 M324 A325 R355N290-N321 PolarHBondContact OD1-ND2 3.47Å; Y305-N321 HydrophobicContact CD1-CB 4.42Å; Y305-N321 HydrophobicContact CE1-CB 3.99Å; Y305-N321 HydrophobicContact CE2-CB 4.12Å; L317-N321 WeakPolarHBondContact O-CB 3.42Å; L317-N321 PolarHBondContact O-N 3.34Å; L318-N321 PolarHBondContact O-N 3.15Å; P319-N321 VanDerWaalsContact C-N 3.34Å; P319-N321 PolarHBondContact O-N 2.97Å; N321-M324 PolarHBondContact O-N 2.86Å; N321-A325 PolarHBondContact O-N 3.49Å; N321-A325 VanDerWaalsContact O-N 3.14Å; N321-R355 PolarHBondContact OD1-NH1 3.3Å
322R97.3Very high95.4Very high30 Ų3043.3 Ų43.311%0.11322%0.218CC..Hα-helixtrans-64.7-42.1169.8-162.6175.565.9-179.4-3.4111.9I302 Y305 T306 I309 L318 P319 M324 A325 Y326 D338I302-R322 HydrophobicContact CB-CG 4.35Å; I302-R322 HydrophobicContact CG1-CG 4.01Å; I302-R322 HydrophobicContact CG2-CG 4.14Å; Y305-R322 HydrophobicContact CD2-CB 3.99Å; Y305-R322 HydrophobicContact CD2-CG 4.35Å; Y305-R322 HydrophobicContact CG-CB 4.26Å; T306-R322 VanDerWaalsContact OG1-CD 3.25Å; T306-R322 WeakPolarHBondContact OG1-CD 3.42Å; T306-R322 PolarHBondContact OG1-NH1 2.9Å; I309-R322 VanDerWaalsContact CD1-CZ 3.49Å; L318-R322 PolarHBondContact O-N 3.46Å; P319-R322 PolarHBondContact O-N 2.98Å; R322-M324 VanDerWaalsContact C-N 3.31Å; R322-M324 PolarHBondContact O-N 2.91Å; R322-A325 WeakPolarHBondContact O-CB 3.46Å; R322-A325 PolarHBondContact O-N 3.36Å; R322-Y326 HydrophobicContact CG-CD2 4.06Å; R322-Y326 HydrophobicContact CG-CE2 3.63Å; R322-Y326 VanDerWaalsContact O-CD2 3.3Å; R322-Y326 WeakPolarHBondContact O-CD2 3.42Å; R322-Y326 PolarHBondContact O-N 2.95Å; R322-D338 WeakPolarHBondContact CB-OD2 3.25Å; R322-D338 WeakPolarHBondContact CG-OD2 3.36Å; R322-D338 IonicContact CZ-OD1 2.62Å; R322-D338 IonicContact CZ-OD2 2.7Å; R322-D338 IonicContact NE-OD1 2.89Å; R322-D338 IonicContact NE-OD2 3.45Å; R322-D338 PolarHBondContact NE-OD2 3.41Å; R322-D338 IonicContact NH2-OD1 2.76Å; R322-D338 PolarHBondContact NH2-OD1 3.42Å; R322-D338 IonicContact NH2-OD2 3.49Å
323A97.1Very high95.6Very high0 Ų047.3 Ų47.30%024%0.236CC..Hα-helixtrans-56.8-40.9170.800000112.9P319 A320 A325 Y326 L327 A335 D338 C339P319-A323 PolarHBondContact O-N 3.42Å; A320-A323 WeakPolarHBondContact O-CB 3.31Å; A323-A325 VanDerWaalsContact C-N 3.33Å; A323-A325 PolarHBondContact O-N 2.87Å; A323-Y326 PolarHBondContact O-N 3.48Å; A323-L327 WeakPolarHBondContact O-CG 3.36Å; A323-L327 PolarHBondContact O-N 3.5Å; A323-A335 HydrophobicContact CB-CB 4.24Å; A323-D338 HydrophobicContact CB-CB 3.68Å; A323-C339 WeakPolarHBondContact CB-SG 3.32Å
324M97.1Very high96Very high51 Ų5145.9 Ų45.925%0.25122%0.221SC..Hα-helixtrans-66.2-33.5176.1177.755.473.400112.5F293 A320 N321 R322 L327 K328 R355F293-M324 HydrophobicContact CE2-CG 3.84Å; F293-M324 HydrophobicContact CZ-CG 3.61Å; F293-M324 HydrophobicContact CZ-SD 4.43Å; A320-M324 PolarHBondContact O-N 3.28Å; A320-M324 VanDerWaalsContact O-N 3.15Å; N321-M324 PolarHBondContact O-N 2.86Å; R322-M324 VanDerWaalsContact C-N 3.31Å; R322-M324 PolarHBondContact O-N 2.91Å; M324-L327 HydrophobicContact CE-CD1 4.41Å; M324-L327 HydrophobicContact SD-CD1 4.43Å; M324-K328 WeakPolarHBondContact O-CG 3.36Å; M324-K328 PolarHBondContact O-N 3.32Å; M324-R355 HydrophobicContact CE-CG 3.84Å
325A97.3Very high96.4Very high0 Ų041.8 Ų41.80%020%0.196CC..Hα-helixtrans-69.6-40.5171.200000111.9F293 I302 Y305 N321 R322 A323 L327 K328 I329F293-A325 HydrophobicContact CD2-CB 4.13Å; F293-A325 HydrophobicContact CE2-CB 4.27Å; I302-A325 HydrophobicContact CD1-CB 3.86Å; I302-A325 HydrophobicContact CG1-CB 3.57Å; Y305-A325 HydrophobicContact CE2-CB 4.44Å; N321-A325 PolarHBondContact O-N 3.49Å; N321-A325 VanDerWaalsContact O-N 3.14Å; R322-A325 WeakPolarHBondContact O-CB 3.46Å; R322-A325 PolarHBondContact O-N 3.36Å; A323-A325 VanDerWaalsContact C-N 3.33Å; A323-A325 PolarHBondContact O-N 2.87Å; A325-L327 PolarHBondContact O-N 2.97Å; A325-K328 WeakPolarHBondContact O-CB 3.32Å; A325-K328 PolarHBondContact O-N 3.15Å; A325-K328 VanDerWaalsContact O-N 3.09Å; A325-I329 PolarHBondContact O-N 3.5Å
326Y97.9Very high96.6Very high38 Ų3841.6 Ų41.615%0.14919%0.194CC..Hα-helixtrans-61.9-40.2173.1-73.5-54.7000112.9I302 R322 A323 K328 I329 Q330 K331 E334 D338I302-Y326 HydrophobicContact CD1-CD1 3.55Å; I302-Y326 HydrophobicContact CD1-CE1 3.62Å; I302-Y326 HydrophobicContact CD1-CG 4.11Å; I302-Y326 HydrophobicContact CG1-CD1 4.38Å; I302-Y326 HydrophobicContact CG1-CE1 4.24Å; I302-Y326 HydrophobicContact CG2-CE1 4.01Å; I302-Y326 HydrophobicContact CG2-CE2 4.48Å; R322-Y326 HydrophobicContact CG-CD2 4.06Å; R322-Y326 HydrophobicContact CG-CE2 3.63Å; R322-Y326 VanDerWaalsContact O-CD2 3.3Å; R322-Y326 WeakPolarHBondContact O-CD2 3.42Å; R322-Y326 PolarHBondContact O-N 2.95Å; A323-Y326 PolarHBondContact O-N 3.48Å; Y326-K328 PolarHBondContact O-N 2.91Å; Y326-I329 CarbonylContact O-C 3.47Å; Y326-I329 PolarHBondContact O-N 3.29Å; Y326-I329 VanDerWaalsContact O-N 3.09Å; Y326-Q330 PolarHBondContact O-N 2.93Å; Y326-K331 HydrophobicContact CD1-CB 3.92Å; Y326-K331 HydrophobicContact CD1-CD 4.04Å; Y326-K331 HydrophobicContact CE1-CD 4.31Å; Y326-K331 HydrophobicContact CG-CB 4.41Å; Y326-K331 PolarHBondContact O-N 3.15Å; Y326-E334 HydrophobicContact CD1-CB 3.75Å; Y326-E334 HydrophobicContact CD1-CG 4.01Å; Y326-E334 HydrophobicContact CD2-CB 3.57Å; Y326-E334 HydrophobicContact CD2-CG 4.32Å; Y326-E334 HydrophobicContact CE1-CB 3.96Å; Y326-E334 HydrophobicContact CE1-CG 3.75Å; Y326-E334 HydrophobicContact CE2-CB 3.76Å; Y326-E334 HydrophobicContact CE2-CG 4.06Å; Y326-E334 HydrophobicContact CG-CB 3.56Å; Y326-E334 HydrophobicContact CG-CG 4.29Å; Y326-D338 WeakPolarHBondContact CD2-OD2 3.41Å; Y326-D338 VanDerWaalsContact CE2-OD2 3.29Å; Y326-D338 WeakPolarHBondContact CE2-OD2 3.45Å
327L96.9Very high96.8Very high22 Ų2247.6 Ų47.612%0.11522%0.215CC..Hα-helixtrans-57.9-32.9171.5-76177.1000112.9A323 M324 A325 Q330 Y332 A335 R355 T358 A359A323-L327 WeakPolarHBondContact O-CG 3.36Å; A323-L327 PolarHBondContact O-N 3.5Å; M324-L327 HydrophobicContact CE-CD1 4.41Å; M324-L327 HydrophobicContact SD-CD1 4.43Å; A325-L327 PolarHBondContact O-N 2.97Å; L327-Q330 PolarHBondContact O-N 2.75Å; L327-Y332 HydrophobicContact CD2-CD1 3.83Å; L327-Y332 HydrophobicContact CD2-CE1 4.18Å; L327-A335 HydrophobicContact CD2-CB 3.95Å; L327-A335 HydrophobicContact CG-CB 3.9Å; L327-R355 HydrophobicContact CD1-CB 4.15Å; L327-R355 HydrophobicContact CD1-CG 4.28Å; L327-T358 HydrophobicContact CD1-CG2 4.34Å; L327-T358 HydrophobicContact CD2-CG2 4.31Å; L327-A359 HydrophobicContact CD2-CB 3.89Å
328K96.7Very high96.9Very high113 Ų11344.2 Ų44.249%0.49120%0.197SC..Hα-helixtrans-76.2-27.1176.4-68.3-64.5-177.6-175.30113.4F293 Y298 M324 A325 Y326 Q330F293-K328 HydrophobicContact CE2-CG 4.2Å; F293-K328 HydrophobicContact CZ-CG 4.26Å; Y298-K328 HydrophobicContact CD1-CB 3.99Å; Y298-K328 HydrophobicContact CD1-CG 4.24Å; Y298-K328 HydrophobicContact CD2-CB 3.78Å; Y298-K328 HydrophobicContact CE1-CB 3.99Å; Y298-K328 HydrophobicContact CE1-CG 3.86Å; Y298-K328 HydrophobicContact CE2-CB 3.77Å; Y298-K328 HydrophobicContact CE2-CG 4.31Å; Y298-K328 HydrophobicContact CG-CB 3.9Å; M324-K328 WeakPolarHBondContact O-CG 3.36Å; M324-K328 PolarHBondContact O-N 3.32Å; A325-K328 WeakPolarHBondContact O-CB 3.32Å; A325-K328 PolarHBondContact O-N 3.15Å; A325-K328 VanDerWaalsContact O-N 3.09Å; Y326-K328 PolarHBondContact O-N 2.91Å; K328-Q330 VanDerWaalsContact C-N 3.33Å
329I96.1Very high96.9Very high46 Ų4644.2 Ų44.224%0.23620%0.197CC..THydrogen-bonded Turntrans-92.86.8174.8-53.1158.2000111.4Y298 E299 I302 A325 Y326 K331Y298-I329 HydrophobicContact CD2-CG1 4.47Å; Y298-I329 HydrophobicContact CG-CG1 4.48Å; E299-I329 HydrophobicContact CG-CD1 4.15Å; E299-I329 WeakPolarHBondContact OE1-CD1 3.5Å; E299-I329 WeakPolarHBondContact OE1-CG1 3.5Å; I302-I329 HydrophobicContact CD1-CD1 3.38Å; A325-I329 PolarHBondContact O-N 3.5Å; Y326-I329 CarbonylContact O-C 3.47Å; Y326-I329 PolarHBondContact O-N 3.29Å; Y326-I329 VanDerWaalsContact O-N 3.09Å; I329-K331 HydrophobicContact CG2-CD 4.47Å; I329-K331 HydrophobicContact CG2-CG 4.36Å; I329-K331 PolarHBondContact O-N 3.33Å
330Q95.5Very high96.9Very high141 Ų14146.4 Ų46.466%0.65921%0.21SC*.THydrogen-bonded Turntrans61.328.9-179.6-49.8178.514.800113.9Y326 L327 K328 Y332Y326-Q330 PolarHBondContact O-N 2.93Å; L327-Q330 PolarHBondContact O-N 2.75Å; K328-Q330 VanDerWaalsContact C-N 3.33Å; Q330-Y332 HydrophobicContact CB-CE2 3.8Å; Q330-Y332 VanDerWaalsContact O-CD2 3.29Å; Q330-Y332 WeakPolarHBondContact O-CD2 3.34Å; Q330-Y332 WeakPolarHBondContact O-CE2 3.43Å; Q330-Y332 PolarHBondContact O-N 2.95Å
331K96.9Very high96.9Very high100 Ų10049.6 Ų49.644%0.43523%0.225SC..  trans-95.679.3174.7-72.9-169.5174.3-172.20110.3Y326 I329 E334 A335Y326-K331 HydrophobicContact CD1-CB 3.92Å; Y326-K331 HydrophobicContact CD1-CD 4.04Å; Y326-K331 HydrophobicContact CE1-CD 4.31Å; Y326-K331 HydrophobicContact CG-CB 4.41Å; Y326-K331 PolarHBondContact O-N 3.15Å; I329-K331 HydrophobicContact CG2-CD 4.47Å; I329-K331 HydrophobicContact CG2-CG 4.36Å; I329-K331 PolarHBondContact O-N 3.33Å; K331-E334 HydrophobicContact CB-CB 4.23Å; K331-A335 PolarHBondContact O-N 3.25Å; K331-A335 VanDerWaalsContact O-N 3.15Å
332Y97.4Very high96.9Very high38 Ų3848.3 Ų48.315%0.14922%0.218CC..Hα-helixtrans-75.6-32.1-167.8-55.4-68.8000112.6L327 Q330 A335 E336 F362L327-Y332 HydrophobicContact CD2-CD1 3.83Å; L327-Y332 HydrophobicContact CD2-CE1 4.18Å; Q330-Y332 HydrophobicContact CB-CE2 3.8Å; Q330-Y332 VanDerWaalsContact O-CD2 3.29Å; Q330-Y332 WeakPolarHBondContact O-CD2 3.34Å; Q330-Y332 WeakPolarHBondContact O-CE2 3.43Å; Q330-Y332 PolarHBondContact O-N 2.95Å; Y332-A335 PolarHBondContact O-N 2.86Å; Y332-E336 PolarHBondContact O-N 3.46Å; Y332-F362 HydrophobicContact CD1-CB 3.54Å; Y332-F362 AromaticContact CD1-CD2 3.77Å; Y332-F362 HydrophobicContact CD1-CD2 3.77Å; Y332-F362 AromaticContact CD1-CG 3.88Å; Y332-F362 HydrophobicContact CD1-CG 3.88Å; Y332-F362 HydrophobicContact CD2-CB 3.86Å; Y332-F362 HydrophobicContact CE1-CB 3.5Å; Y332-F362 HydrophobicContact CE1-CD1 4.12Å; Y332-F362 AromaticContact CE1-CD2 3.23Å; Y332-F362 HydrophobicContact CE1-CD2 3.23Å; Y332-F362 AromaticContact CE1-CE2 3.93Å; Y332-F362 HydrophobicContact CE1-CE2 3.93Å; Y332-F362 AromaticContact CE1-CG 3.35Å; Y332-F362 HydrophobicContact CE1-CG 3.35Å; Y332-F362 HydrophobicContact CE2-CB 3.81Å; Y332-F362 HydrophobicContact CE2-CG 4.18Å; Y332-F362 HydrophobicContact CG-CB 3.71Å; Y332-F362 HydrophobicContact CG-CG 4.48Å; Y332-F362 AromaticContact CZ-CD1 3.84Å; Y332-F362 AromaticContact CZ-CD2 3.84Å; Y332-F362 AromaticContact CZ-CG 3.5Å; Y332-F362 VanDerWaalsContact CZ-CG 3.5Å
333E96.6Very high96.8Very high100 Ų10048 Ų4847%0.46722%0.219SC..Hα-helixtrans-69.5-38.5177.3-61.285.1164.800112.1R337 L363E333-R337 PolarHBondContact O-N 3.21Å; E333-R337 PolarHBondContact O-NE 2.61Å; E333-R337 PolarHBondContact O-NH2 3.09Å; E333-L363 HydrophobicContact CG-CD2 3.86Å; E333-L363 WeakPolarHBondContact OE1-CD2 3.27Å
334E96.6Very high96.8Very high51 Ų5155 Ų5524%0.23826%0.255CS..Hα-helixtrans-62.7-46.3167.6-83.565.7-141.100111.3Y326 K331 E336 R337 D338Y326-E334 HydrophobicContact CD1-CB 3.75Å; Y326-E334 HydrophobicContact CD1-CG 4.01Å; Y326-E334 HydrophobicContact CD2-CB 3.57Å; Y326-E334 HydrophobicContact CD2-CG 4.32Å; Y326-E334 HydrophobicContact CE1-CB 3.96Å; Y326-E334 HydrophobicContact CE1-CG 3.75Å; Y326-E334 HydrophobicContact CE2-CB 3.76Å; Y326-E334 HydrophobicContact CE2-CG 4.06Å; Y326-E334 HydrophobicContact CG-CB 3.56Å; Y326-E334 HydrophobicContact CG-CG 4.29Å; K331-E334 HydrophobicContact CB-CB 4.23Å; E334-E336 PolarHBondContact O-N 3.02Å; E334-R337 PolarHBondContact O-N 3.48Å; E334-R337 IonicContact OE1-CZ 3.77Å; E334-R337 IonicContact OE1-NH1 3.65Å; E334-R337 IonicContact OE1-NH2 3.81Å; E334-R337 PolarHBondContact OE1-NH2 3.09Å; E334-R337 IonicContact OE2-NH2 2.87Å; E334-D338 WeakPolarHBondContact O-CB 3.33Å; E334-D338 PolarHBondContact O-N 3.48Å
335A97.6Very high96.6Very high0 Ų056 Ų560%026%0.262CS..Hα-helixtrans-63.8-40.4-178.400000112.7A323 L327 K331 Y332 D338 C339 A359A323-A335 HydrophobicContact CB-CB 4.24Å; L327-A335 HydrophobicContact CD2-CB 3.95Å; L327-A335 HydrophobicContact CG-CB 3.9Å; K331-A335 PolarHBondContact O-N 3.25Å; K331-A335 VanDerWaalsContact O-N 3.15Å; Y332-A335 PolarHBondContact O-N 2.86Å; A335-D338 PolarHBondContact O-N 3.2Å; A335-C339 WeakPolarHBondContact O-CB 3.47Å; A335-C339 PolarHBondContact O-N 3.16Å; A335-C339 PolarHBondContact O-SG 3.13Å; A335-C339 VanDerWaalsContact O-SG 3.35Å; A335-A359 HydrophobicContact CB-CB 4.05Å
336E97.4Very high96.5Very high25 Ų2558.9 Ų58.912%0.11728%0.277CS..Hα-helixtrans-62.7-42.3176.5-175.9179.8-154.100112Y332 E334 T340 R356 A359 R360 L363 K365Y332-E336 PolarHBondContact O-N 3.46Å; E334-E336 PolarHBondContact O-N 3.02Å; E336-T340 WeakPolarHBondContact O-CB 3.23Å; E336-T340 PolarHBondContact O-N 3.46Å; E336-T340 PolarHBondContact O-OG1 3.19Å; E336-R356 HydrophobicContact CG-CG 4.03Å; E336-A359 HydrophobicContact CB-CB 4.44Å; E336-R360 HydrophobicContact CG-CG 4.32Å; E336-R360 WeakPolarHBondContact OE1-CG 3.26Å; E336-R360 IonicContact OE1-CZ 3.58Å; E336-R360 IonicContact OE1-NE 3.63Å; E336-R360 PolarHBondContact OE1-NE 3.4Å; E336-R360 IonicContact OE1-NH2 3.39Å; E336-L363 HydrophobicContact CB-CD1 4.39Å; E336-K365 IonicContact OE1-NZ 3.55Å; E336-K365 PolarHBondContact OE1-NZ 3.5Å; E336-K365 IonicContact OE2-NZ 2.77Å; E336-K365 PolarHBondContact OE2-NZ 3.15Å
337R97.1Very high96.2Very high137 Ų13759.5 Ų59.552%0.51730%0.295SS..Hα-helixtrans-63.8-50.8175.9-80.9176.3-79.8136.3-15.9111.9E333 E334 C339 T340 Q341E333-R337 PolarHBondContact O-N 3.21Å; E333-R337 PolarHBondContact O-NE 2.61Å; E333-R337 PolarHBondContact O-NH2 3.09Å; E334-R337 PolarHBondContact O-N 3.48Å; E334-R337 IonicContact OE1-CZ 3.77Å; E334-R337 IonicContact OE1-NH1 3.65Å; E334-R337 IonicContact OE1-NH2 3.81Å; E334-R337 PolarHBondContact OE1-NH2 3.09Å; E334-R337 IonicContact OE2-NH2 2.87Å; R337-C339 PolarHBondContact O-N 3.05Å; R337-T340 PolarHBondContact O-N 2.61Å; R337-T340 VanDerWaalsContact O-N 3.15Å; R337-Q341 PolarHBondContact O-N 2.93Å
338D96.9Very high96Very high8 Ų862.2 Ų62.24%0.04332%0.316CS..Hα-helixtrans-63.9-40.2-179.8-87.95.1000112.3P319 R322 A323 Y326 E334 A335 T340 Q341 A342P319-D338 HydrophobicContact CB-CB 4.45Å; R322-D338 WeakPolarHBondContact CB-OD2 3.25Å; R322-D338 WeakPolarHBondContact CG-OD2 3.36Å; R322-D338 IonicContact CZ-OD1 2.62Å; R322-D338 IonicContact CZ-OD2 2.7Å; R322-D338 IonicContact NE-OD1 2.89Å; R322-D338 IonicContact NE-OD2 3.45Å; R322-D338 PolarHBondContact NE-OD2 3.41Å; R322-D338 IonicContact NH2-OD1 2.76Å; R322-D338 PolarHBondContact NH2-OD1 3.42Å; R322-D338 IonicContact NH2-OD2 3.49Å; A323-D338 HydrophobicContact CB-CB 3.68Å; Y326-D338 WeakPolarHBondContact CD2-OD2 3.41Å; Y326-D338 VanDerWaalsContact CE2-OD2 3.29Å; Y326-D338 WeakPolarHBondContact CE2-OD2 3.45Å; E334-D338 WeakPolarHBondContact O-CB 3.33Å; E334-D338 PolarHBondContact O-N 3.48Å; A335-D338 PolarHBondContact O-N 3.2Å; D338-T340 VanDerWaalsContact C-N 3.33Å; D338-T340 PolarHBondContact O-N 2.96Å; D338-Q341 PolarHBondContact O-N 3.2Å; D338-A342 PolarHBondContact O-N 2.95Å
339C97.3Very high95.9Very high0 Ų058.4 Ų58.40%030%0.298CS..Hα-helixtrans-65.8-36.1173.3-740000112.3A323 A335 R337 A342 I343 R355 R356A323-C339 WeakPolarHBondContact CB-SG 3.32Å; A335-C339 WeakPolarHBondContact O-CB 3.47Å; A335-C339 PolarHBondContact O-N 3.16Å; A335-C339 PolarHBondContact O-SG 3.13Å; A335-C339 VanDerWaalsContact O-SG 3.35Å; R337-C339 PolarHBondContact O-N 3.05Å; C339-A342 WeakPolarHBondContact O-CB 3.37Å; C339-A342 PolarHBondContact O-N 3.44Å; C339-I343 WeakPolarHBondContact O-CD1 3.43Å; C339-I343 VanDerWaalsContact O-CG1 3.26Å; C339-I343 WeakPolarHBondContact O-CG1 3.44Å; C339-I343 PolarHBondContact O-N 3.05Å; C339-R355 WeakPolarHBondContact SG-CB 3.47Å; C339-R356 HydrophobicContact CB-CB 3.67Å; C339-R356 HydrophobicContact CB-CG 4.1Å
340T97Very high95.8Very high47 Ų4756.4 Ų56.429%0.28829%0.289SS..Hα-helixtrans-68-38.8175.1-59.10000111.4E336 R337 D338 A342 I343 L344 R356E336-T340 WeakPolarHBondContact O-CB 3.23Å; E336-T340 PolarHBondContact O-N 3.46Å; E336-T340 PolarHBondContact O-OG1 3.19Å; R337-T340 PolarHBondContact O-N 2.61Å; R337-T340 VanDerWaalsContact O-N 3.15Å; D338-T340 VanDerWaalsContact C-N 3.33Å; D338-T340 PolarHBondContact O-N 2.96Å; T340-A342 VanDerWaalsContact C-N 3.34Å; T340-A342 PolarHBondContact O-N 2.67Å; T340-I343 PolarHBondContact O-N 3.45Å; T340-L344 HydrophobicContact CG2-CD1 4.38Å; T340-L344 VanDerWaalsContact O-CG 3.31Å; T340-L344 WeakPolarHBondContact O-CG 3.49Å; T340-L344 PolarHBondContact O-N 3.12Å; T340-R356 WeakPolarHBondContact OG1-CD 3.1Å; T340-R356 PolarHBondContact OG1-NH1 3.5Å
341Q96.2Very high95.8Very high67 Ų6755 Ų5531%0.31328%0.281SS..Hα-helixtrans-60.7-42.3169.9-175.7-179.1-8.400111.6P319 R337 D338 I343 L344 L345P319-Q341 HydrophobicContact CB-CB 4.44Å; P319-Q341 HydrophobicContact CB-CG 4.43Å; P319-Q341 HydrophobicContact CG-CG 4.4Å; R337-Q341 PolarHBondContact O-N 2.93Å; D338-Q341 PolarHBondContact O-N 3.2Å; Q341-I343 PolarHBondContact O-N 3.42Å; Q341-L344 PolarHBondContact O-N 3.15Å; Q341-L345 HydrophobicContact CG-CD1 4.43Å; Q341-L345 WeakPolarHBondContact O-CG 3.35Å; Q341-L345 PolarHBondContact O-N 3.34Å
342A96.3Very high95.8Very high0 Ų050.3 Ų50.30%026%0.26CS..Hα-helixtrans-62.2-40.7176.500000112.5P319 A320 D338 C339 T340 L345 D346 A352P319-A342 HydrophobicContact CG-CB 4.08Å; A320-A342 HydrophobicContact CB-CB 3.85Å; D338-A342 PolarHBondContact O-N 2.95Å; C339-A342 WeakPolarHBondContact O-CB 3.37Å; C339-A342 PolarHBondContact O-N 3.44Å; T340-A342 VanDerWaalsContact C-N 3.34Å; T340-A342 PolarHBondContact O-N 2.67Å; A342-L345 PolarHBondContact O-N 3.22Å; A342-D346 PolarHBondContact O-N 3.21Å; A342-A352 HydrophobicContact CB-CB 3.88Å
343I96.1Very high95.8Very high25 Ų2549.6 Ų49.613%0.12826%0.258CS..Hα-helixtrans-70.3-32177.9-68.5160.8000112C339 T340 Q341 L345 D346 G347 A352 F353C339-I343 WeakPolarHBondContact O-CD1 3.43Å; C339-I343 VanDerWaalsContact O-CG1 3.26Å; C339-I343 WeakPolarHBondContact O-CG1 3.44Å; C339-I343 PolarHBondContact O-N 3.05Å; T340-I343 PolarHBondContact O-N 3.45Å; Q341-I343 PolarHBondContact O-N 3.42Å; I343-L345 VanDerWaalsContact C-N 3.25Å; I343-L345 PolarHBondContact O-N 2.87Å; I343-D346 CarbonylContact O-C 3.57Å; I343-G347 WeakPolarHBondContact O-CA 3.29Å; I343-G347 PolarHBondContact O-N 2.87Å; I343-A352 HydrophobicContact CD1-CB 4.29Å; I343-A352 HydrophobicContact CG1-CB 3.75Å; I343-F353 HydrophobicContact CB-CZ 4.44Å; I343-F353 HydrophobicContact CD1-CD1 3.71Å; I343-F353 HydrophobicContact CD1-CD2 4.11Å; I343-F353 HydrophobicContact CD1-CE1 3.85Å; I343-F353 HydrophobicContact CD1-CE2 4.23Å; I343-F353 HydrophobicContact CD1-CG 3.85Å; I343-F353 HydrophobicContact CD1-CZ 4.11Å; I343-F353 HydrophobicContact CG1-CD1 4.42Å; I343-F353 HydrophobicContact CG1-CD2 4.05Å; I343-F353 HydrophobicContact CG1-CE1 4.29Å; I343-F353 HydrophobicContact CG1-CE2 3.9Å; I343-F353 HydrophobicContact CG1-CG 4.31Å; I343-F353 HydrophobicContact CG1-CZ 4.03Å; I343-F353 HydrophobicContact CG2-CE1 4.01Å; I343-F353 HydrophobicContact CG2-CE2 4.06Å; I343-F353 HydrophobicContact CG2-CZ 3.52Å
344L95.9Very high95.7Very high146 Ų14645.3 Ų45.376%0.76424%0.239SC*.Hα-helixtrans-69.3-22.8172.9-73.2168.7000113T340 Q341T340-L344 HydrophobicContact CG2-CD1 4.38Å; T340-L344 VanDerWaalsContact O-CG 3.31Å; T340-L344 WeakPolarHBondContact O-CG 3.49Å; T340-L344 PolarHBondContact O-N 3.12Å; Q341-L344 PolarHBondContact O-N 3.15Å
345L93.7Very high95.8Very high73 Ų7344.7 Ų44.738%0.38224%0.235SC..Hα-helixtrans-91-39.1174.9-67.6171.2000112.3S313 A316 P319 Q341 A342 I343S313-L345 WeakPolarHBondContact O-CD1 3.42Å; S313-L345 WeakPolarHBondContact O-CD2 3.42Å; A316-L345 HydrophobicContact CB-CB 3.77Å; P319-L345 HydrophobicContact CG-CD1 4.32Å; Q341-L345 HydrophobicContact CG-CD1 4.43Å; Q341-L345 WeakPolarHBondContact O-CG 3.35Å; Q341-L345 PolarHBondContact O-N 3.34Å; A342-L345 PolarHBondContact O-N 3.22Å; I343-L345 VanDerWaalsContact C-N 3.25Å; I343-L345 PolarHBondContact O-N 2.87Å
346D93.7Very high95.7Very high59 Ų5946 Ų4632%0.31624%0.24SC..  trans-14096.6176.2-178.1-0.4000111A316 A342 I343 S348 Y349A316-D346 HydrophobicContact CB-CB 3.64Å; A342-D346 PolarHBondContact O-N 3.21Å; I343-D346 CarbonylContact O-C 3.57Å; D346-S348 PolarHBondContact O-N 3.03Å; D346-S348 WeakPolarHBondContact OD1-CA 3.36Å; D346-S348 WeakPolarHBondContact OD1-CB 3.5Å; D346-S348 PolarHBondContact OD1-N 3.29Å; D346-S348 PolarHBondContact OD1-OG 2.88Å; D346-Y349 WeakPolarHBondContact O-CB 3.46Å; D346-Y349 PolarHBondContact O-N 3.31Å; D346-Y349 PolarHBondContact OD1-N 2.92Å
347G92.2Very high95.7Very high51 Ų5144.9 Ų44.953%0.52624%0.235SC..THydrogen-bonded Turntrans-68.9-7.7176.700000114.8I343 F353I343-G347 WeakPolarHBondContact O-CA 3.29Å; I343-G347 PolarHBondContact O-N 2.87Å; G347-F353 WeakPolarHBondContact O-CE2 3.5Å
348S92.9Very high95.6Very high80 Ų8039.8 Ų39.856%0.55922%0.219SC*.THydrogen-bonded Turntrans-91.5-6.8174770000113.1D346 A350D346-S348 PolarHBondContact O-N 3.03Å; D346-S348 WeakPolarHBondContact OD1-CA 3.36Å; D346-S348 WeakPolarHBondContact OD1-CB 3.5Å; D346-S348 PolarHBondContact OD1-N 3.29Å; D346-S348 PolarHBondContact OD1-OG 2.88Å; S348-A350 PolarHBondContact O-N 3.31Å
349Y94.6Very high95.6Very high32 Ų3239.4 Ų39.413%0.12522%0.217CC..  trans-79.980.1-168.8-168.7-155.8000113.1A316 L317 A320 D346 K351 A352A316-Y349 HydrophobicContact CB-CD1 4.45Å; L317-Y349 HydrophobicContact CD2-CE1 4.16Å; L317-Y349 HydrophobicContact CD2-CE2 4.23Å; L317-Y349 WeakPolarHBondContact CD2-OH 3.17Å; A320-Y349 HydrophobicContact CB-CD1 4.25Å; A320-Y349 HydrophobicContact CB-CE1 3.43Å; A320-Y349 VanDerWaalsContact CB-CE1 3.43Å; D346-Y349 WeakPolarHBondContact O-CB 3.46Å; D346-Y349 PolarHBondContact O-N 3.31Å; D346-Y349 PolarHBondContact OD1-N 2.92Å; Y349-K351 HydrophobicContact CD2-CB 4.2Å; Y349-K351 HydrophobicContact CE2-CB 3.72Å; Y349-K351 HydrophobicContact CE2-CD 4.25Å; Y349-K351 HydrophobicContact CE2-CG 4.4Å; Y349-K351 PolarHBondContact O-N 3.25Å; Y349-A352 HydrophobicContact CD1-CB 3.74Å; Y349-A352 HydrophobicContact CE1-CB 4.34Å; Y349-A352 HydrophobicContact CG-CB 4.22Å; Y349-A352 WeakPolarHBondContact O-CB 3.39Å; Y349-A352 PolarHBondContact O-N 3.33Å
350A94.9Very high95.6Very high5 Ų541 Ų414%0.04122%0.223CC..Hα-helixtrans-46.6-37-179.400000114.3S348 A352 F353 A354 V376 L379 E380S348-A350 PolarHBondContact O-N 3.31Å; A350-A352 VanDerWaalsContact C-N 3.28Å; A350-A352 PolarHBondContact O-N 2.94Å; A350-F353 PolarHBondContact O-N 3.32Å; A350-A354 PolarHBondContact O-N 2.93Å; A350-V376 WeakPolarHBondContact O-CG2 3.34Å; A350-L379 HydrophobicContact CB-CB 3.91Å; A350-L379 HydrophobicContact CB-CD1 3.99Å; A350-E380 HydrophobicContact CB-CG 3.81Å
351K94.9Very high95.5Very high112 Ų11240.5 Ų40.549%0.48722%0.22SC..Hα-helixtrans-66.8-24.5178.5-68.5169.4-174.9163.50113.6Y349 R355Y349-K351 HydrophobicContact CD2-CB 4.2Å; Y349-K351 HydrophobicContact CE2-CB 3.72Å; Y349-K351 HydrophobicContact CE2-CD 4.25Å; Y349-K351 HydrophobicContact CE2-CG 4.4Å; Y349-K351 PolarHBondContact O-N 3.25Å; K351-R355 WeakPolarHBondContact O-CB 3.44Å; K351-R355 VanDerWaalsContact O-CD 3.24Å; K351-R355 WeakPolarHBondContact O-CD 3.34Å; K351-R355 WeakPolarHBondContact O-CG 3.25Å; K351-R355 PolarHBondContact O-N 2.96Å
352A96.3Very high95.4Very high0 Ų043.4 Ų43.40%023%0.232CC..Hα-helixtrans-74.1-42.4171.400000111.4A342 I343 Y349 A350 R355 R356A342-A352 HydrophobicContact CB-CB 3.88Å; I343-A352 HydrophobicContact CD1-CB 4.29Å; I343-A352 HydrophobicContact CG1-CB 3.75Å; Y349-A352 HydrophobicContact CD1-CB 3.74Å; Y349-A352 HydrophobicContact CE1-CB 4.34Å; Y349-A352 HydrophobicContact CG-CB 4.22Å; Y349-A352 WeakPolarHBondContact O-CB 3.39Å; Y349-A352 PolarHBondContact O-N 3.33Å; A350-A352 VanDerWaalsContact C-N 3.28Å; A350-A352 PolarHBondContact O-N 2.94Å; A352-R355 PolarHBondContact O-N 3.07Å; A352-R356 WeakPolarHBondContact O-CB 3.22Å; A352-R356 PolarHBondContact O-N 3.13Å
353F96.9Very high95.3Very high23 Ų2345.7 Ų45.710%0.10124%0.244CC..Hα-helixtrans-60.6-48.3172.7-69.9-87.3000111.8I343 G347 A350 R355 R356 G357 T375 V376 L379I343-F353 HydrophobicContact CB-CZ 4.44Å; I343-F353 HydrophobicContact CD1-CD1 3.71Å; I343-F353 HydrophobicContact CD1-CD2 4.11Å; I343-F353 HydrophobicContact CD1-CE1 3.85Å; I343-F353 HydrophobicContact CD1-CE2 4.23Å; I343-F353 HydrophobicContact CD1-CG 3.85Å; I343-F353 HydrophobicContact CD1-CZ 4.11Å; I343-F353 HydrophobicContact CG1-CD1 4.42Å; I343-F353 HydrophobicContact CG1-CD2 4.05Å; I343-F353 HydrophobicContact CG1-CE1 4.29Å; I343-F353 HydrophobicContact CG1-CE2 3.9Å; I343-F353 HydrophobicContact CG1-CG 4.31Å; I343-F353 HydrophobicContact CG1-CZ 4.03Å; I343-F353 HydrophobicContact CG2-CE1 4.01Å; I343-F353 HydrophobicContact CG2-CE2 4.06Å; I343-F353 HydrophobicContact CG2-CZ 3.52Å; G347-F353 WeakPolarHBondContact O-CE2 3.5Å; A350-F353 PolarHBondContact O-N 3.32Å; F353-R355 VanDerWaalsContact C-N 3.28Å; F353-R355 PolarHBondContact O-N 2.54Å; F353-R356 PolarHBondContact O-N 2.7Å; F353-G357 PolarHBondContact O-N 3.17Å; F353-T375 VanDerWaalsContact CD1-OG1 3.24Å; F353-T375 WeakPolarHBondContact CD1-OG1 3.46Å; F353-V376 HydrophobicContact CB-CG2 3.59Å; F353-L379 HydrophobicContact CD2-CD1 4.06Å; F353-L379 HydrophobicContact CE2-CD1 4.11Å
354A96.1Very high95.1Very high10 Ų1046.7 Ų46.78%0.08326%0.261CS..Hα-helixtrans-59.3-38.3177.700000112.5A350 T358 F373 V376A350-A354 PolarHBondContact O-N 2.93Å; A354-T358 WeakPolarHBondContact O-CB 3.48Å; A354-T358 PolarHBondContact O-N 3Å; A354-T358 PolarHBondContact O-OG1 2.91Å; A354-F373 HydrophobicContact CB-CE1 4.45Å; A354-V376 HydrophobicContact CB-CG2 3.86Å
355R96.9Very high95Very high38 Ų3843.2 Ų43.214%0.14324%0.239CC..Hα-helixtrans-68.9-37.7174.7-72.6168.1-166.9-173.73.9111.9A320 N321 M324 L327 C339 K351 A352 F353 T358 A359A320-R355 PolarHBondContact O-NH1 2.91Å; N321-R355 PolarHBondContact OD1-NH1 3.3Å; M324-R355 HydrophobicContact CE-CG 3.84Å; L327-R355 HydrophobicContact CD1-CB 4.15Å; L327-R355 HydrophobicContact CD1-CG 4.28Å; C339-R355 WeakPolarHBondContact SG-CB 3.47Å; K351-R355 WeakPolarHBondContact O-CB 3.44Å; K351-R355 VanDerWaalsContact O-CD 3.24Å; K351-R355 WeakPolarHBondContact O-CD 3.34Å; K351-R355 WeakPolarHBondContact O-CG 3.25Å; K351-R355 PolarHBondContact O-N 2.96Å; A352-R355 PolarHBondContact O-N 3.07Å; F353-R355 VanDerWaalsContact C-N 3.28Å; F353-R355 PolarHBondContact O-N 2.54Å; R355-T358 WeakPolarHBondContact O-CB 3.41Å; R355-T358 PolarHBondContact O-N 2.9Å; R355-A359 PolarHBondContact O-N 2.99Å
356R97.3Very high94.9Very high29 Ų2940.2 Ų40.211%0.10922%0.224CC..Hα-helixtrans-69.6-45.7176.4-161.5171.162.3-175.7-2.1112.7E336 C339 T340 A352 F353 T358 A359 R360 D372E336-R356 HydrophobicContact CG-CG 4.03Å; C339-R356 HydrophobicContact CB-CB 3.67Å; C339-R356 HydrophobicContact CB-CG 4.1Å; T340-R356 WeakPolarHBondContact OG1-CD 3.1Å; T340-R356 PolarHBondContact OG1-NH1 3.5Å; A352-R356 WeakPolarHBondContact O-CB 3.22Å; A352-R356 PolarHBondContact O-N 3.13Å; F353-R356 PolarHBondContact O-N 2.7Å; R356-T358 VanDerWaalsContact C-N 3.27Å; R356-T358 PolarHBondContact O-N 3.32Å; R356-A359 WeakPolarHBondContact O-CB 3.48Å; R356-A359 PolarHBondContact O-N 2.71Å; R356-A359 VanDerWaalsContact O-N 3.12Å; R356-R360 HydrophobicContact CG-CG 4.42Å; R356-R360 WeakPolarHBondContact O-CB 3.25Å; R356-R360 WeakPolarHBondContact O-CG 3.49Å; R356-R360 PolarHBondContact O-N 2.93Å; R356-D372 WeakPolarHBondContact CB-OD2 3.05Å; R356-D372 WeakPolarHBondContact CG-OD2 3.41Å; R356-D372 IonicContact CZ-OD1 2.78Å; R356-D372 IonicContact CZ-OD2 3.54Å; R356-D372 IonicContact NE-OD1 2.59Å; R356-D372 PolarHBondContact NE-OD1 3.28Å; R356-D372 IonicContact NE-OD2 2.74Å; R356-D372 PolarHBondContact NE-OD2 3.21Å; R356-D372 IonicContact NH2-OD1 3.96Å; R356-D372 PolarHBondContact NH2-OD1 3.4Å; R356-D372 IonicContact NH2-OD2 2.7Å
357G95.8Very high94.7Very high0 Ų040.3 Ų40.30%023%0.229CC..Hα-helixtrans-58.6-39.9172.900000111.9F353 R360 T361 A369 D372F353-G357 PolarHBondContact O-N 3.17Å; G357-R360 PolarHBondContact O-N 3.06Å; G357-T361 WeakPolarHBondContact O-CB 3.47Å; G357-T361 PolarHBondContact O-N 3.27Å; G357-T361 PolarHBondContact O-OG1 2.88Å; G357-A369 WeakPolarHBondContact O-CB 3.36Å; G357-D372 PolarHBondContact N-OD2 3.14Å
358T95.9Very high94.8Very high30 Ų3041.3 Ų41.318%0.18422%0.22CC..Hα-helixtrans-59.5-51.2171.2-55.90000111.6L327 A354 R355 R356 R360 T361 F362L327-T358 HydrophobicContact CD1-CG2 4.34Å; L327-T358 HydrophobicContact CD2-CG2 4.31Å; A354-T358 WeakPolarHBondContact O-CB 3.48Å; A354-T358 PolarHBondContact O-N 3Å; A354-T358 PolarHBondContact O-OG1 2.91Å; R355-T358 WeakPolarHBondContact O-CB 3.41Å; R355-T358 PolarHBondContact O-N 2.9Å; R356-T358 VanDerWaalsContact C-N 3.27Å; R356-T358 PolarHBondContact O-N 3.32Å; T358-R360 PolarHBondContact O-N 3.49Å; T358-T361 PolarHBondContact O-N 3.45Å; T358-F362 HydrophobicContact CG2-CD2 4.16Å; T358-F362 HydrophobicContact CG2-CE2 3.81Å; T358-F362 WeakPolarHBondContact O-CD2 3.38Å; T358-F362 PolarHBondContact O-N 3.4Å
359A97.1Very high94.9Very high0 Ų037.5 Ų37.50%019%0.193CC..Hα-helixtrans-59.1-46.5177.800000112.3L327 A335 E336 R355 R356 T361 F362 L363L327-A359 HydrophobicContact CD2-CB 3.89Å; A335-A359 HydrophobicContact CB-CB 4.05Å; E336-A359 HydrophobicContact CB-CB 4.44Å; R355-A359 PolarHBondContact O-N 2.99Å; R356-A359 WeakPolarHBondContact O-CB 3.48Å; R356-A359 PolarHBondContact O-N 2.71Å; R356-A359 VanDerWaalsContact O-N 3.12Å; A359-T361 VanDerWaalsContact C-N 3.31Å; A359-T361 PolarHBondContact O-N 3.46Å; A359-F362 PolarHBondContact O-N 3.29Å; A359-F362 VanDerWaalsContact O-N 3.17Å; A359-L363 WeakPolarHBondContact O-CG 3.14Å; A359-L363 PolarHBondContact O-N 3.21Å
360R96.7Very high94.8Very high33 Ų3337.8 Ų37.813%0.12520%0.195CC..Hα-helixtrans-62.3-34.8178.9-77.3170.9162.8-171.6-25.7113.1E336 R356 G357 T358 L363 G364 K365 E368 A369 D372E336-R360 HydrophobicContact CG-CG 4.32Å; E336-R360 WeakPolarHBondContact OE1-CG 3.26Å; E336-R360 IonicContact OE1-CZ 3.58Å; E336-R360 IonicContact OE1-NE 3.63Å; E336-R360 PolarHBondContact OE1-NE 3.4Å; E336-R360 IonicContact OE1-NH2 3.39Å; R356-R360 HydrophobicContact CG-CG 4.42Å; R356-R360 WeakPolarHBondContact O-CB 3.25Å; R356-R360 WeakPolarHBondContact O-CG 3.49Å; R356-R360 PolarHBondContact O-N 2.93Å; G357-R360 PolarHBondContact O-N 3.06Å; T358-R360 PolarHBondContact O-N 3.49Å; R360-L363 CarbonylContact O-C 3.54Å; R360-L363 PolarHBondContact O-N 2.89Å; R360-G364 PolarHBondContact O-N 3.45Å; R360-G364 VanDerWaalsContact O-N 3.14Å; R360-K365 HydrophobicContact CB-CB 3.99Å; R360-K365 HydrophobicContact CG-CB 4.25Å; R360-K365 HydrophobicContact CG-CD 4.07Å; R360-K365 PolarHBondContact O-N 3.13Å; R360-E368 IonicContact CZ-OE2 2.7Å; R360-E368 IonicContact NE-OE2 3.28Å; R360-E368 PolarHBondContact NE-OE2 2.86Å; R360-E368 VanDerWaalsContact NE-OE2 3.08Å; R360-E368 IonicContact NH2-OE2 3.6Å; R360-E368 PolarHBondContact NH2-OE2 3.5Å; R360-A369 HydrophobicContact CB-CB 3.87Å; R360-D372 VanDerWaalsContact CD-OD2 3.31Å; R360-D372 WeakPolarHBondContact CD-OD2 3.43Å; R360-D372 IonicContact CZ-OD2 3.52Å; R360-D372 IonicContact NE-OD2 2.61Å; R360-D372 VanDerWaalsContact NH1-CG 3.3Å; R360-D372 IonicContact NH1-OD1 3.33Å; R360-D372 PolarHBondContact NH1-OD1 3.27Å; R360-D372 IonicContact NH1-OD2 3.52Å; R360-D372 PolarHBondContact NH1-OD2 3.31Å
361T94.9Very high94.8Very high38 Ų3843.5 Ų43.523%0.23322%0.221CC..Hα-helixtrans-62.6-46.6173.6-54.30000110.7G357 T358 A359 L363 G364 I366 A369G357-T361 WeakPolarHBondContact O-CB 3.47Å; G357-T361 PolarHBondContact O-N 3.27Å; G357-T361 PolarHBondContact O-OG1 2.88Å; T358-T361 PolarHBondContact O-N 3.45Å; A359-T361 VanDerWaalsContact C-N 3.31Å; A359-T361 PolarHBondContact O-N 3.46Å; T361-L363 VanDerWaalsContact C-N 3.3Å; T361-L363 PolarHBondContact O-N 2.93Å; T361-G364 PolarHBondContact O-N 2.93Å; T361-G364 VanDerWaalsContact O-N 3.08Å; T361-I366 HydrophobicContact CG2-CD1 4.48Å; T361-A369 WeakPolarHBondContact OG1-CB 3.22Å
362F94.7Very high94.8Very high127 Ų12738.3 Ų38.356%0.55720%0.198SC*.Hα-helixtrans-66.4-29174.9-72-68.9000113.6Y332 T358 A359 G364Y332-F362 HydrophobicContact CD1-CB 3.54Å; Y332-F362 AromaticContact CD1-CD2 3.77Å; Y332-F362 HydrophobicContact CD1-CD2 3.77Å; Y332-F362 AromaticContact CD1-CG 3.88Å; Y332-F362 HydrophobicContact CD1-CG 3.88Å; Y332-F362 HydrophobicContact CD2-CB 3.86Å; Y332-F362 HydrophobicContact CE1-CB 3.5Å; Y332-F362 HydrophobicContact CE1-CD1 4.12Å; Y332-F362 AromaticContact CE1-CD2 3.23Å; Y332-F362 HydrophobicContact CE1-CD2 3.23Å; Y332-F362 AromaticContact CE1-CE2 3.93Å; Y332-F362 HydrophobicContact CE1-CE2 3.93Å; Y332-F362 AromaticContact CE1-CG 3.35Å; Y332-F362 HydrophobicContact CE1-CG 3.35Å; Y332-F362 HydrophobicContact CE2-CB 3.81Å; Y332-F362 HydrophobicContact CE2-CG 4.18Å; Y332-F362 HydrophobicContact CG-CB 3.71Å; Y332-F362 HydrophobicContact CG-CG 4.48Å; Y332-F362 AromaticContact CZ-CD1 3.84Å; Y332-F362 AromaticContact CZ-CD2 3.84Å; Y332-F362 AromaticContact CZ-CG 3.5Å; Y332-F362 VanDerWaalsContact CZ-CG 3.5Å; T358-F362 HydrophobicContact CG2-CD2 4.16Å; T358-F362 HydrophobicContact CG2-CE2 3.81Å; T358-F362 WeakPolarHBondContact O-CD2 3.38Å; T358-F362 PolarHBondContact O-N 3.4Å; A359-F362 PolarHBondContact O-N 3.29Å; A359-F362 VanDerWaalsContact O-N 3.17Å; F362-G364 VanDerWaalsContact C-N 3.25Å; F362-G364 PolarHBondContact O-N 2.82Å
363L94.3Very high94.8Very high48 Ų4838.4 Ų38.425%0.25120%0.199SC..THydrogen-bonded Turntrans-78.80.4171.9-66.4169.4000113.9E333 E336 A359 R360 T361 K365E333-L363 HydrophobicContact CG-CD2 3.86Å; E333-L363 WeakPolarHBondContact OE1-CD2 3.27Å; E336-L363 HydrophobicContact CB-CD1 4.39Å; A359-L363 WeakPolarHBondContact O-CG 3.14Å; A359-L363 PolarHBondContact O-N 3.21Å; R360-L363 CarbonylContact O-C 3.54Å; R360-L363 PolarHBondContact O-N 2.89Å; T361-L363 VanDerWaalsContact C-N 3.3Å; T361-L363 PolarHBondContact O-N 2.93Å; L363-K365 HydrophobicContact CB-CD 4.29Å; L363-K365 HydrophobicContact CB-CG 4.21Å; L363-K365 HydrophobicContact CD1-CD 4.44Å; L363-K365 PolarHBondContact O-N 3Å
364G91.3Very high94.7Very high47 Ų4740.7 Ų40.749%0.48521%0.21SC..THydrogen-bonded Turntrans70.59.2-176.500000115.1R360 T361 F362 I366R360-G364 PolarHBondContact O-N 3.45Å; R360-G364 VanDerWaalsContact O-N 3.14Å; T361-G364 PolarHBondContact O-N 2.93Å; T361-G364 VanDerWaalsContact O-N 3.08Å; F362-G364 VanDerWaalsContact C-N 3.25Å; F362-G364 PolarHBondContact O-N 2.82Å; G364-I366 PolarHBondContact O-N 3.06Å
365K93.8Very high94.6Very high73 Ų7342.4 Ų42.432%0.31722%0.219SC..  trans-79.756.3177.3-66.6176162.3-170.50111.4E336 R360 L363 S367 E368 A369E336-K365 IonicContact OE1-NZ 3.55Å; E336-K365 PolarHBondContact OE1-NZ 3.5Å; E336-K365 IonicContact OE2-NZ 2.77Å; E336-K365 PolarHBondContact OE2-NZ 3.15Å; R360-K365 HydrophobicContact CB-CB 3.99Å; R360-K365 HydrophobicContact CG-CB 4.25Å; R360-K365 HydrophobicContact CG-CD 4.07Å; R360-K365 PolarHBondContact O-N 3.13Å; L363-K365 HydrophobicContact CB-CD 4.29Å; L363-K365 HydrophobicContact CB-CG 4.21Å; L363-K365 HydrophobicContact CD1-CD 4.44Å; L363-K365 PolarHBondContact O-N 3Å; K365-S367 PolarHBondContact O-N 3.16Å; K365-E368 HydrophobicContact CB-CB 4.31Å; K365-E368 IonicContact NZ-OE2 3.6Å; K365-E368 PolarHBondContact O-N 3.46Å; K365-E368 VanDerWaalsContact O-N 3.15Å; K365-A369 PolarHBondContact O-N 3Å
366I91.6Very high94.5Very high10 Ų1040.6 Ų40.65%0.05121%0.212CC..Hα-helixtrans-58.1-42-166.5-54.2-50.1000112.9T361 G364 A369 K370 I393 E396 L397T361-I366 HydrophobicContact CG2-CD1 4.48Å; G364-I366 PolarHBondContact O-N 3.06Å; I366-A369 PolarHBondContact O-N 3.45Å; I366-K370 PolarHBondContact O-N 2.88Å; I366-I393 HydrophobicContact CG2-CB 4.45Å; I366-I393 HydrophobicContact CG2-CG1 4.43Å; I366-I393 HydrophobicContact CG2-CG2 3.77Å; I366-E396 WeakPolarHBondContact CD1-OE1 3.1Å; I366-L397 HydrophobicContact CB-CD2 4.49Å; I366-L397 HydrophobicContact CG2-CD1 4.31Å; I366-L397 HydrophobicContact CG2-CD2 3.89Å; I366-L397 HydrophobicContact CG2-CG 3.83Å
367S90.1Very high94.4Very high61 Ų6141.5 Ų41.543%0.42722%0.219SC..Hα-helixtrans-69.5-33.4-179.8-46.10000113.3K365 Q371K365-S367 PolarHBondContact O-N 3.16Å; S367-Q371 PolarHBondContact O-N 2.87Å
368E93.5Very high94.2Very high71 Ų7148.3 Ų48.333%0.33226%0.255SS..Hα-helixtrans-73.1-36.9172.7-63.1179.7-156.900111.3R360 K365 Q371 D372R360-E368 IonicContact CZ-OE2 2.7Å; R360-E368 IonicContact NE-OE2 3.28Å; R360-E368 PolarHBondContact NE-OE2 2.86Å; R360-E368 VanDerWaalsContact NE-OE2 3.08Å; R360-E368 IonicContact NH2-OE2 3.6Å; R360-E368 PolarHBondContact NH2-OE2 3.5Å; K365-E368 HydrophobicContact CB-CB 4.31Å; K365-E368 IonicContact NZ-OE2 3.6Å; K365-E368 PolarHBondContact O-N 3.46Å; K365-E368 VanDerWaalsContact O-N 3.15Å; E368-Q371 PolarHBondContact O-N 3.31Å; E368-D372 PolarHBondContact O-N 3.31Å; E368-D372 VanDerWaalsContact O-N 3.1Å
369A94.8Very high94.1Very high0 Ų050.5 Ų50.50%027%0.265CS..Hα-helixtrans-64.7-40.1175.200000112.1G357 R360 T361 K365 I366 Q371 D372 F373 I393G357-A369 WeakPolarHBondContact O-CB 3.36Å; R360-A369 HydrophobicContact CB-CB 3.87Å; T361-A369 WeakPolarHBondContact OG1-CB 3.22Å; K365-A369 PolarHBondContact O-N 3Å; I366-A369 PolarHBondContact O-N 3.45Å; A369-Q371 PolarHBondContact O-N 3.27Å; A369-D372 PolarHBondContact O-N 3.35Å; A369-F373 WeakPolarHBondContact O-CD2 3.4Å; A369-F373 PolarHBondContact O-N 3.5Å; A369-I393 HydrophobicContact CB-CD1 3.91Å
370K93.4Very high93.8Very high39 Ų3953.6 Ų53.617%0.1728%0.28CS..Hα-helixtrans-52.5-52.7172.3-177.7-170161-1690110.8I366 D372 F373 E374 L390 I393 L397 D405I366-K370 PolarHBondContact O-N 2.88Å; K370-D372 PolarHBondContact O-N 2.81Å; K370-F373 PolarHBondContact O-N 3.5Å; K370-E374 WeakPolarHBondContact CE-OE1 3.34Å; K370-E374 WeakPolarHBondContact CE-OE2 3.44Å; K370-E374 WeakPolarHBondContact O-CB 3.38Å; K370-E374 WeakPolarHBondContact O-CG 3.44Å; K370-E374 PolarHBondContact O-N 3.15Å; K370-L390 HydrophobicContact CG-CD2 3.98Å; K370-I393 HydrophobicContact CB-CG2 3.88Å; K370-I393 HydrophobicContact CG-CG2 4.36Å; K370-L397 HydrophobicContact CD-CD1 4.34Å; K370-D405 PolarHBondContact NZ-O 3.05Å
371Q94.4Very high93.6Very high124 Ų12457.1 Ų57.158%0.57931%0.306SS*.Hα-helixtrans-60.6-43.4179.8-67.21744.100112.1S367 E368 A369 F373 E374 T375S367-Q371 PolarHBondContact O-N 2.87Å; E368-Q371 PolarHBondContact O-N 3.31Å; A369-Q371 PolarHBondContact O-N 3.27Å; Q371-F373 VanDerWaalsContact C-N 3.33Å; Q371-F373 PolarHBondContact O-N 3.32Å; Q371-E374 PolarHBondContact O-N 2.86Å; Q371-T375 PolarHBondContact O-N 3.44Å; Q371-T375 PolarHBondContact O-OG1 2.92Å
372D95.7Very high93.3Very high4 Ų458.7 Ų58.72%0.02133%0.33CS..Hα-helixtrans-63.9-32.7177.8-85-19.9000113.3R356 G357 R360 E368 A369 K370 T375 V376R356-D372 WeakPolarHBondContact CB-OD2 3.05Å; R356-D372 WeakPolarHBondContact CG-OD2 3.41Å; R356-D372 IonicContact CZ-OD1 2.78Å; R356-D372 IonicContact CZ-OD2 3.54Å; R356-D372 IonicContact NE-OD1 2.59Å; R356-D372 PolarHBondContact NE-OD1 3.28Å; R356-D372 IonicContact NE-OD2 2.74Å; R356-D372 PolarHBondContact NE-OD2 3.21Å; R356-D372 IonicContact NH2-OD1 3.96Å; R356-D372 PolarHBondContact NH2-OD1 3.4Å; R356-D372 IonicContact NH2-OD2 2.7Å; G357-D372 PolarHBondContact N-OD2 3.14Å; R360-D372 VanDerWaalsContact CD-OD2 3.31Å; R360-D372 WeakPolarHBondContact CD-OD2 3.43Å; R360-D372 IonicContact CZ-OD2 3.52Å; R360-D372 IonicContact NE-OD2 2.61Å; R360-D372 VanDerWaalsContact NH1-CG 3.3Å; R360-D372 IonicContact NH1-OD1 3.33Å; R360-D372 PolarHBondContact NH1-OD1 3.27Å; R360-D372 IonicContact NH1-OD2 3.52Å; R360-D372 PolarHBondContact NH1-OD2 3.31Å; E368-D372 PolarHBondContact O-N 3.31Å; E368-D372 VanDerWaalsContact O-N 3.1Å; A369-D372 PolarHBondContact O-N 3.35Å; K370-D372 PolarHBondContact O-N 2.81Å; D372-T375 PolarHBondContact O-OG1 3.32Å; D372-T375 VanDerWaalsContact O-OG1 3.05Å; D372-V376 WeakPolarHBondContact O-CG2 3.48Å; D372-V376 PolarHBondContact O-N 2.7Å
373F95.8Very high93.2Very high1 Ų153.9 Ų53.90%0.00431%0.311CS..Hα-helixtrans-82.4-28.5174-69.1-64.4000112.9A354 A369 K370 Q371 V376 L377 A386 E389 L390 I393A354-F373 HydrophobicContact CB-CE1 4.45Å; A369-F373 WeakPolarHBondContact O-CD2 3.4Å; A369-F373 PolarHBondContact O-N 3.5Å; K370-F373 PolarHBondContact O-N 3.5Å; Q371-F373 VanDerWaalsContact C-N 3.33Å; Q371-F373 PolarHBondContact O-N 3.32Å; F373-V376 WeakPolarHBondContact O-CB 3.42Å; F373-V376 PolarHBondContact O-N 3.23Å; F373-L377 PolarHBondContact O-N 3.25Å; F373-A386 HydrophobicContact CB-CB 4.47Å; F373-A386 HydrophobicContact CD1-CB 4.08Å; F373-E389 HydrophobicContact CD1-CB 4.34Å; F373-E389 HydrophobicContact CD2-CB 4.05Å; F373-E389 HydrophobicContact CE1-CB 4.02Å; F373-E389 HydrophobicContact CE1-CG 4.08Å; F373-E389 HydrophobicContact CE2-CB 3.72Å; F373-E389 HydrophobicContact CE2-CG 4.33Å; F373-E389 HydrophobicContact CG-CB 4.35Å; F373-E389 HydrophobicContact CZ-CB 3.7Å; F373-E389 HydrophobicContact CZ-CG 3.83Å; F373-L390 HydrophobicContact CB-CD1 3.83Å; F373-L390 HydrophobicContact CB-CD2 3.91Å; F373-L390 HydrophobicContact CB-CG 3.55Å; F373-I393 HydrophobicContact CD2-CD1 3.6Å; F373-I393 HydrophobicContact CE2-CD1 3.77Å
374E94.4Very high93.1Very high71 Ų7157 Ų5733%0.33233%0.331SS..Hα-helixtrans-67.1-37.5172.5-76.9170.2168.200111.3K370 Q371 L377 L378 L390K370-E374 WeakPolarHBondContact CE-OE1 3.34Å; K370-E374 WeakPolarHBondContact CE-OE2 3.44Å; K370-E374 WeakPolarHBondContact O-CB 3.38Å; K370-E374 WeakPolarHBondContact O-CG 3.44Å; K370-E374 PolarHBondContact O-N 3.15Å; Q371-E374 PolarHBondContact O-N 2.86Å; E374-L377 PolarHBondContact O-N 3.32Å; E374-L378 PolarHBondContact O-N 3.2Å; E374-L378 VanDerWaalsContact O-N 3.07Å; E374-L390 HydrophobicContact CG-CD1 4Å; E374-L390 HydrophobicContact CG-CD2 3.9Å
375T94.3Very high93.1Very high46 Ų4659.2 Ų59.228%0.28233%0.329SS..Hα-helixtrans-69.5-31.5170.159.20000113F353 Q371 D372 L378 L379F353-T375 VanDerWaalsContact CD1-OG1 3.24Å; F353-T375 WeakPolarHBondContact CD1-OG1 3.46Å; Q371-T375 PolarHBondContact O-N 3.44Å; Q371-T375 PolarHBondContact O-OG1 2.92Å; D372-T375 PolarHBondContact O-OG1 3.32Å; D372-T375 VanDerWaalsContact O-OG1 3.05Å; T375-L378 WeakPolarHBondContact O-CB 3.37Å; T375-L378 PolarHBondContact O-N 2.98Å; T375-L379 WeakPolarHBondContact O-CG 3.49Å; T375-L379 PolarHBondContact O-N 3.08Å
376V95.5Very high93Very high0 Ų055.7 Ų55.70%031%0.314CS..Hα-helixtrans-62.9-41.3170.8173.50000111.3A350 F353 A354 D372 F373 L378 L379 E380 N383 A386A350-V376 WeakPolarHBondContact O-CG2 3.34Å; F353-V376 HydrophobicContact CB-CG2 3.59Å; A354-V376 HydrophobicContact CB-CG2 3.86Å; D372-V376 WeakPolarHBondContact O-CG2 3.48Å; D372-V376 PolarHBondContact O-N 2.7Å; F373-V376 WeakPolarHBondContact O-CB 3.42Å; F373-V376 PolarHBondContact O-N 3.23Å; V376-L378 VanDerWaalsContact C-N 3.3Å; V376-L378 PolarHBondContact O-N 3.09Å; V376-L379 PolarHBondContact O-N 2.95Å; V376-E380 WeakPolarHBondContact O-CA 3.45Å; V376-E380 PolarHBondContact O-N 3.45Å; V376-N383 HydrophobicContact CG1-CB 4.09Å; V376-A386 HydrophobicContact CB-CB 4.02Å; V376-A386 HydrophobicContact CG1-CB 3.58Å
377L93.7Very high93.1Very high48 Ų4858.6 Ų58.625%0.25133%0.332SS..Hα-helixtrans-70.2-25.9175.4-67.6-175.3000113.3F373 E374 P381 N383 A386 V387 L390F373-L377 PolarHBondContact O-N 3.25Å; E374-L377 PolarHBondContact O-N 3.32Å; L377-P381 VanDerWaalsContact O-CA 3.28Å; L377-P381 WeakPolarHBondContact O-CA 3.34Å; L377-P381 WeakPolarHBondContact O-CG 3.35Å; L377-N383 HydrophobicContact CD2-CB 4.46Å; L377-A386 HydrophobicContact CD2-CB 3.76Å; L377-A386 HydrophobicContact CG-CB 4.04Å; L377-V387 HydrophobicContact CD1-CG2 4.14Å; L377-V387 HydrophobicContact CD2-CG2 3.7Å; L377-L390 HydrophobicContact CD1-CD1 3.51Å; L377-L390 HydrophobicContact CG-CD1 4.15Å
378L93.2Very high93.3Very high144 Ų14459 Ų5975%0.75433%0.332SS*.Hα-helixtrans-70.6-36.2172.2-174.363.5000112.2E374 T375 V376E374-L378 PolarHBondContact O-N 3.2Å; E374-L378 VanDerWaalsContact O-N 3.07Å; T375-L378 WeakPolarHBondContact O-CB 3.37Å; T375-L378 PolarHBondContact O-N 2.98Å; V376-L378 VanDerWaalsContact C-N 3.3Å; V376-L378 PolarHBondContact O-N 3.09Å
379L92Very high93.2Very high75 Ų7557.5 Ų57.539%0.39333%0.325SS..Hα-helixtrans-85.2-39.1179.5-67.2168.7000113.2A350 F353 T375 V376A350-L379 HydrophobicContact CB-CB 3.91Å; A350-L379 HydrophobicContact CB-CD1 3.99Å; F353-L379 HydrophobicContact CD2-CD1 4.06Å; F353-L379 HydrophobicContact CE2-CD1 4.11Å; T375-L379 WeakPolarHBondContact O-CG 3.49Å; T375-L379 PolarHBondContact O-N 3.08Å; V376-L379 PolarHBondContact O-N 2.95Å
380E92.8Very high93.1Very high66 Ų6658 Ų5831%0.30833%0.327SS..  trans-130.278-179-66-177.716900110.2A350 V376 G382 N383A350-E380 HydrophobicContact CB-CG 3.81Å; V376-E380 WeakPolarHBondContact O-CA 3.45Å; V376-E380 PolarHBondContact O-N 3.45Å; E380-G382 PolarHBondContact O-N 2.76Å; E380-N383 HydrophobicContact CB-CB 3.92Å; E380-N383 VanDerWaalsContact O-CB 3.22Å; E380-N383 WeakPolarHBondContact O-CB 3.4Å; E380-N383 PolarHBondContact O-N 3.36Å; E380-N383 PolarHBondContact OE2-ND2 3.42Å
381P90.8Very high93Very high106 Ų10659.6 Ų59.669%0.68834%0.344SS*.THydrogen-bonded Turntrans-59.7-16.4-175.7-26.634.7000116.1L377L377-P381 VanDerWaalsContact O-CA 3.28Å; L377-P381 WeakPolarHBondContact O-CA 3.34Å; L377-P381 WeakPolarHBondContact O-CG 3.35Å
382G89.7Confident92.9Very high71 Ų7159 Ų5973%0.73234%0.339SS*.THydrogen-bonded Turntrans-92.35.8174.300000115E380 T384E380-G382 PolarHBondContact O-N 2.76Å; G382-T384 PolarHBondContact O-N 3.1Å
383N92.3Very high92.7Very high27 Ų2758.9 Ų58.914%0.14434%0.339CS..  trans-74.594.7-174-170.1-49000111.8V376 L377 E380 Q385 A386 V387V376-N383 HydrophobicContact CG1-CB 4.09Å; L377-N383 HydrophobicContact CD2-CB 4.46Å; E380-N383 HydrophobicContact CB-CB 3.92Å; E380-N383 VanDerWaalsContact O-CB 3.22Å; E380-N383 WeakPolarHBondContact O-CB 3.4Å; E380-N383 PolarHBondContact O-N 3.36Å; E380-N383 PolarHBondContact OE2-ND2 3.42Å; N383-Q385 VanDerWaalsContact C-N 3.28Å; N383-Q385 PolarHBondContact O-N 3.24Å; N383-Q385 WeakPolarHBondContact OD1-CB 3.39Å; N383-Q385 PolarHBondContact OD1-N 3.2Å; N383-A386 HydrophobicContact CB-CB 4.23Å; N383-A386 PolarHBondContact O-N 3.06Å; N383-A386 PolarHBondContact OD1-N 3.28Å; N383-V387 PolarHBondContact O-N 3.17Å
384T92.5Very high92.3Very high112 Ų11262 Ų6269%0.68735%0.352SS*.Hα-helixtrans-59.5-34.4-179.354.90000113.3G382 V387 T388G382-T384 PolarHBondContact O-N 3.1Å; T384-V387 PolarHBondContact O-N 3Å; T384-T388 WeakPolarHBondContact O-CG2 3.28Å; T384-T388 PolarHBondContact O-N 3.09Å; T384-T388 PolarHBondContact O-OG1 2.91Å
385Q91.1Very high92Very high94 Ų9464 Ų6444%0.43936%0.36SS..Hα-helixtrans-60.3-52.2176.3-175.3-174.5-7.500110.2N383 V387 T388 E389N383-Q385 VanDerWaalsContact C-N 3.28Å; N383-Q385 PolarHBondContact O-N 3.24Å; N383-Q385 WeakPolarHBondContact OD1-CB 3.39Å; N383-Q385 PolarHBondContact OD1-N 3.2Å; Q385-V387 VanDerWaalsContact C-N 3.32Å; Q385-V387 PolarHBondContact O-N 2.81Å; Q385-T388 PolarHBondContact O-N 3.45Å; Q385-T388 PolarHBondContact O-OG1 3.42Å; Q385-E389 HydrophobicContact CG-CG 4.29Å; Q385-E389 WeakPolarHBondContact O-CG 3.5Å; Q385-E389 PolarHBondContact O-N 2.83Å
386A92.1Very high91.7Very high0 Ų064.8 Ų64.80%036%0.36CS..Hα-helixtrans-59.8-39.1-179.700000112.7F373 V376 L377 N383 L390F373-A386 HydrophobicContact CB-CB 4.47Å; F373-A386 HydrophobicContact CD1-CB 4.08Å; V376-A386 HydrophobicContact CB-CB 4.02Å; V376-A386 HydrophobicContact CG1-CB 3.58Å; L377-A386 HydrophobicContact CD2-CB 3.76Å; L377-A386 HydrophobicContact CG-CB 4.04Å; N383-A386 HydrophobicContact CB-CB 4.23Å; N383-A386 PolarHBondContact O-N 3.06Å; N383-A386 PolarHBondContact OD1-N 3.28Å; A386-L390 WeakPolarHBondContact O-CB 3.46Å; A386-L390 WeakPolarHBondContact O-CG 3.27Å; A386-L390 PolarHBondContact O-N 3.08Å
387V92.7Very high91.2Very high70 Ų7065 Ų6542%0.42436%0.361SS..Hα-helixtrans-60.5-45.5172.2-179.10000111.6L377 N383 T384 Q385 S391L377-V387 HydrophobicContact CD1-CG2 4.14Å; L377-V387 HydrophobicContact CD2-CG2 3.7Å; N383-V387 PolarHBondContact O-N 3.17Å; T384-V387 PolarHBondContact O-N 3Å; Q385-V387 VanDerWaalsContact C-N 3.32Å; Q385-V387 PolarHBondContact O-N 2.81Å; V387-S391 WeakPolarHBondContact O-CB 3.49Å; V387-S391 PolarHBondContact O-N 2.86Å; V387-S391 PolarHBondContact O-OG 3.33Å
388T93.9Very high90.7Very high70 Ų7065.3 Ų65.343%0.42936%0.363SS..Hα-helixtrans-69.2-39.1-178.858.20000113.1T384 Q385 S391 K392T384-T388 WeakPolarHBondContact O-CG2 3.28Å; T384-T388 PolarHBondContact O-N 3.09Å; T384-T388 PolarHBondContact O-OG1 2.91Å; Q385-T388 PolarHBondContact O-N 3.45Å; Q385-T388 PolarHBondContact O-OG1 3.42Å; T388-S391 PolarHBondContact O-N 3.14Å; T388-K392 WeakPolarHBondContact O-CG 3.39Å; T388-K392 PolarHBondContact O-N 2.89Å; T388-K392 VanDerWaalsContact O-N 3.17Å
389E92.9Very high90.2Very high39 Ų3964.7 Ų64.718%0.18236%0.356CS..Hα-helixtrans-69.3-39175.5-58.8-49.8147.200111.4F373 Q385 S391 K392 I393F373-E389 HydrophobicContact CD1-CB 4.34Å; F373-E389 HydrophobicContact CD2-CB 4.05Å; F373-E389 HydrophobicContact CE1-CB 4.02Å; F373-E389 HydrophobicContact CE1-CG 4.08Å; F373-E389 HydrophobicContact CE2-CB 3.72Å; F373-E389 HydrophobicContact CE2-CG 4.33Å; F373-E389 HydrophobicContact CG-CB 4.35Å; F373-E389 HydrophobicContact CZ-CB 3.7Å; F373-E389 HydrophobicContact CZ-CG 3.83Å; Q385-E389 HydrophobicContact CG-CG 4.29Å; Q385-E389 WeakPolarHBondContact O-CG 3.5Å; Q385-E389 PolarHBondContact O-N 2.83Å; E389-S391 VanDerWaalsContact C-N 3.28Å; E389-S391 PolarHBondContact O-N 2.61Å; E389-K392 PolarHBondContact O-N 3.39Å; E389-K392 IonicContact OE1-NZ 3.15Å; E389-K392 PolarHBondContact OE1-NZ 2.76Å; E389-K392 WeakPolarHBondContact OE2-CD 3.31Å; E389-K392 WeakPolarHBondContact OE2-CE 3.3Å; E389-K392 IonicContact OE2-NZ 3.56Å; E389-K392 PolarHBondContact OE2-NZ 3.18Å; E389-I393 WeakPolarHBondContact O-CB 3.44Å; E389-I393 WeakPolarHBondContact O-CG1 3.42Å; E389-I393 PolarHBondContact O-N 3.45Å
390L92.6Very high89.6Confident10 Ų1066.5 Ų66.55%0.05236%0.36CS..Hα-helixtrans-61.9-35.6172.8-81.8166000112.9K370 F373 E374 L377 A386 I393 K394K370-L390 HydrophobicContact CG-CD2 3.98Å; F373-L390 HydrophobicContact CB-CD1 3.83Å; F373-L390 HydrophobicContact CB-CD2 3.91Å; F373-L390 HydrophobicContact CB-CG 3.55Å; E374-L390 HydrophobicContact CG-CD1 4Å; E374-L390 HydrophobicContact CG-CD2 3.9Å; L377-L390 HydrophobicContact CD1-CD1 3.51Å; L377-L390 HydrophobicContact CG-CD1 4.15Å; A386-L390 WeakPolarHBondContact O-CB 3.46Å; A386-L390 WeakPolarHBondContact O-CG 3.27Å; A386-L390 PolarHBondContact O-N 3.08Å; L390-I393 PolarHBondContact O-N 3.15Å; L390-K394 WeakPolarHBondContact O-CB 3.38Å; L390-K394 VanDerWaalsContact O-CG 3.29Å; L390-K394 WeakPolarHBondContact O-CG 3.41Å; L390-K394 PolarHBondContact O-N 2.9Å
391S90.9Very high88.5Confident73 Ų7365.1 Ų65.151%0.5136%0.364SS..Hα-helixtrans-67-38176.2-61.70000111.8V387 T388 E389 K395V387-S391 WeakPolarHBondContact O-CB 3.49Å; V387-S391 PolarHBondContact O-N 2.86Å; V387-S391 PolarHBondContact O-OG 3.33Å; T388-S391 PolarHBondContact O-N 3.14Å; E389-S391 VanDerWaalsContact C-N 3.28Å; E389-S391 PolarHBondContact O-N 2.61Å; S391-K395 WeakPolarHBondContact O-CB 3.5Å; S391-K395 PolarHBondContact O-N 2.96Å
392K92.2Very high87.4Confident112 Ų11264.8 Ų64.849%0.48735%0.354SS..Hα-helixtrans-65.7-48.9171.7-63.5175.8-145.9165.10111.4T388 E389 K394 K395 E396T388-K392 WeakPolarHBondContact O-CG 3.39Å; T388-K392 PolarHBondContact O-N 2.89Å; T388-K392 VanDerWaalsContact O-N 3.17Å; E389-K392 PolarHBondContact O-N 3.39Å; E389-K392 IonicContact OE1-NZ 3.15Å; E389-K392 PolarHBondContact OE1-NZ 2.76Å; E389-K392 WeakPolarHBondContact OE2-CD 3.31Å; E389-K392 WeakPolarHBondContact OE2-CE 3.3Å; E389-K392 IonicContact OE2-NZ 3.56Å; E389-K392 PolarHBondContact OE2-NZ 3.18Å; K392-K394 PolarHBondContact O-N 2.86Å; K392-K395 WeakPolarHBondContact O-CB 3.41Å; K392-K395 PolarHBondContact O-N 2.98Å; K392-K395 VanDerWaalsContact O-N 3.14Å; K392-E396 PolarHBondContact O-N 3.29Å
393I90.9Very high85.9Confident2 Ų267.8 Ų67.81%0.0134%0.343CS..Hα-helixtrans-59.2-44.9179.8-77166.4000111.6I366 A369 K370 F373 E389 L390 K395 E396 L397I366-I393 HydrophobicContact CG2-CB 4.45Å; I366-I393 HydrophobicContact CG2-CG1 4.43Å; I366-I393 HydrophobicContact CG2-CG2 3.77Å; A369-I393 HydrophobicContact CB-CD1 3.91Å; K370-I393 HydrophobicContact CB-CG2 3.88Å; K370-I393 HydrophobicContact CG-CG2 4.36Å; F373-I393 HydrophobicContact CD2-CD1 3.6Å; F373-I393 HydrophobicContact CE2-CD1 3.77Å; E389-I393 WeakPolarHBondContact O-CB 3.44Å; E389-I393 WeakPolarHBondContact O-CG1 3.42Å; E389-I393 PolarHBondContact O-N 3.45Å; L390-I393 PolarHBondContact O-N 3.15Å; I393-K395 VanDerWaalsContact C-N 3.34Å; I393-K395 PolarHBondContact O-N 3.16Å; I393-E396 PolarHBondContact O-N 2.98Å; I393-L397 HydrophobicContact CG2-CD1 4.06Å; I393-L397 WeakPolarHBondContact O-CG 3.49Å; I393-L397 PolarHBondContact O-N 3.41Å
394K88.1Confident84.3Confident65 Ų6573.2 Ų73.228%0.28337%0.367SS..Hα-helixtrans-64.4-37.5176.1-71.8-178.2-176.2-1670111.9L390 K392 I398L390-K394 WeakPolarHBondContact O-CB 3.38Å; L390-K394 VanDerWaalsContact O-CG 3.29Å; L390-K394 WeakPolarHBondContact O-CG 3.41Å; L390-K394 PolarHBondContact O-N 2.9Å; K392-K394 PolarHBondContact O-N 2.86Å; K394-I398 WeakPolarHBondContact O-CB 3.48Å; K394-I398 WeakPolarHBondContact O-CD1 3.41Å; K394-I398 WeakPolarHBondContact O-CG1 3.46Å; K394-I398 PolarHBondContact O-N 3.37Å; K394-I398 VanDerWaalsContact O-N 3.09Å
395K88.3Confident82.7Confident115 Ų11571.6 Ų71.650%0.535%0.354SS..Hα-helixtrans-65.5-42173.2-177.3177175.8-69.50112.2S391 K392 I393 I398 E399S391-K395 WeakPolarHBondContact O-CB 3.5Å; S391-K395 PolarHBondContact O-N 2.96Å; K392-K395 WeakPolarHBondContact O-CB 3.41Å; K392-K395 PolarHBondContact O-N 2.98Å; K392-K395 VanDerWaalsContact O-N 3.14Å; I393-K395 VanDerWaalsContact C-N 3.34Å; I393-K395 PolarHBondContact O-N 3.16Å; K395-I398 WeakPolarHBondContact O-CB 3.33Å; K395-I398 PolarHBondContact O-N 2.95Å; K395-E399 WeakPolarHBondContact CE-OE1 3.26Å; K395-E399 IonicContact NZ-OE1 2.76Å; K395-E399 PolarHBondContact NZ-OE1 3.43Å; K395-E399 IonicContact NZ-OE2 2.76Å; K395-E399 PolarHBondContact NZ-OE2 3.33Å; K395-E399 WeakPolarHBondContact O-CG 3.47Å; K395-E399 PolarHBondContact O-N 3.47Å
396E87.5Confident81.1Confident61 Ų6168.4 Ų68.429%0.28534%0.341SS..Hα-helixtrans-67.5-37.5178.4-166.9-174.8155.200112.3I366 K392 I393 E399 K400I366-E396 WeakPolarHBondContact CD1-OE1 3.1Å; K392-E396 PolarHBondContact O-N 3.29Å; I393-E396 PolarHBondContact O-N 2.98Å; E396-E399 PolarHBondContact O-N 2.79Å; E396-K400 HydrophobicContact CG-CD 4.36Å; E396-K400 WeakPolarHBondContact O-CB 3.31Å; E396-K400 WeakPolarHBondContact O-CG 3.23Å; E396-K400 PolarHBondContact O-N 3.38Å; E396-K400 VanDerWaalsContact OE1-CE 3.32Å; E396-K400 WeakPolarHBondContact OE1-CE 3.34Å; E396-K400 IonicContact OE1-NZ 3.19Å; E396-K400 PolarHBondContact OE1-NZ 3.44Å
397L84.8Confident79.2Confident4 Ų474.4 Ų74.42%0.02137%0.367CS..Hα-helixtrans-64.2-41.9173-72.9168.1000111.9I366 K370 I393 K400 G401 H402 V406I366-L397 HydrophobicContact CB-CD2 4.49Å; I366-L397 HydrophobicContact CG2-CD1 4.31Å; I366-L397 HydrophobicContact CG2-CD2 3.89Å; I366-L397 HydrophobicContact CG2-CG 3.83Å; K370-L397 HydrophobicContact CD-CD1 4.34Å; I393-L397 HydrophobicContact CG2-CD1 4.06Å; I393-L397 WeakPolarHBondContact O-CG 3.49Å; I393-L397 PolarHBondContact O-N 3.41Å; L397-K400 CarbonylContact O-C 3.54Å; L397-K400 PolarHBondContact O-N 2.9Å; L397-G401 PolarHBondContact O-N 3.37Å; L397-G401 VanDerWaalsContact O-N 3.12Å; L397-H402 HydrophobicContact CB-CB 4.46Å; L397-H402 HydrophobicContact CD2-CB 4.22Å; L397-H402 PolarHBondContact O-N 3.03Å; L397-V406 HydrophobicContact CB-CG2 4.1Å
398I83.3Confident77.3Confident56 Ų5676.9 Ų76.929%0.28738%0.378SS..Hα-helixtrans-59.4-48.1171.9-78.1164.6000111.1K394 K395 K400 G401 W403 V406K394-I398 WeakPolarHBondContact O-CB 3.48Å; K394-I398 WeakPolarHBondContact O-CD1 3.41Å; K394-I398 WeakPolarHBondContact O-CG1 3.46Å; K394-I398 PolarHBondContact O-N 3.37Å; K394-I398 VanDerWaalsContact O-N 3.09Å; K395-I398 WeakPolarHBondContact O-CB 3.33Å; K395-I398 PolarHBondContact O-N 2.95Å; I398-K400 PolarHBondContact O-N 3.3Å; I398-G401 PolarHBondContact O-N 2.8Å; I398-W403 HydrophobicContact CB-CZ3 4.43Å; I398-W403 HydrophobicContact CD1-CZ3 4.47Å; I398-W403 HydrophobicContact CG1-CE3 4.06Å; I398-W403 HydrophobicContact CG1-CZ3 4Å; I398-W403 HydrophobicContact CG2-CE3 4.45Å; I398-W403 HydrophobicContact CG2-CH2 3.53Å; I398-W403 HydrophobicContact CG2-CZ2 3.97Å; I398-W403 HydrophobicContact CG2-CZ3 3.79Å; I398-V406 HydrophobicContact CD1-CG1 4.29Å; I398-V406 HydrophobicContact CG1-CG2 4.32Å
399E83.4Confident75.1Confident131 Ų13178.6 Ų78.661%0.61238%0.384SS*.Hα-helixtrans-66.4-24.8179.8-73.4174.9154.200112.8K395 E396K395-E399 WeakPolarHBondContact CE-OE1 3.26Å; K395-E399 IonicContact NZ-OE1 2.76Å; K395-E399 PolarHBondContact NZ-OE1 3.43Å; K395-E399 IonicContact NZ-OE2 2.76Å; K395-E399 PolarHBondContact NZ-OE2 3.33Å; K395-E399 WeakPolarHBondContact O-CG 3.47Å; K395-E399 PolarHBondContact O-N 3.47Å; E396-E399 PolarHBondContact O-N 2.79Å
400K78.6Confident72.7Confident112 Ų11280.6 Ų80.649%0.48740%0.403SS..THydrogen-bonded Turntrans-87.9-0.1171.3-70.3175.6-177.3174.10114.2E396 L397 I398E396-K400 HydrophobicContact CG-CD 4.36Å; E396-K400 WeakPolarHBondContact O-CB 3.31Å; E396-K400 WeakPolarHBondContact O-CG 3.23Å; E396-K400 PolarHBondContact O-N 3.38Å; E396-K400 VanDerWaalsContact OE1-CE 3.32Å; E396-K400 WeakPolarHBondContact OE1-CE 3.34Å; E396-K400 IonicContact OE1-NZ 3.19Å; E396-K400 PolarHBondContact OE1-NZ 3.44Å; L397-K400 CarbonylContact O-C 3.54Å; L397-K400 PolarHBondContact O-N 2.9Å; I398-K400 PolarHBondContact O-N 3.3Å
401G70.1Confident70.2Confident38 Ų3885.2 Ų85.239%0.39243%0.431SS..THydrogen-bonded Turntrans81.311.2176.300000115.9L397 I398 W403L397-G401 PolarHBondContact O-N 3.37Å; L397-G401 VanDerWaalsContact O-N 3.12Å; I398-G401 PolarHBondContact O-N 2.8Å; G401-W403 VanDerWaalsContact C-N 3.33Å; G401-W403 PolarHBondContact O-N 3.02Å; G401-W403 VanDerWaalsContact O-N 3.13Å
402H68Low67.9Low99 Ų9989.7 Ų89.746%0.45844%0.444SS..  trans-86.670.3176.9-68.5-73.7000111L397L397-H402 HydrophobicContact CB-CB 4.46Å; L397-H402 HydrophobicContact CD2-CB 4.22Å; L397-H402 PolarHBondContact O-N 3.03Å
403W57.3Low65.5Low134 Ų13493.8 Ų93.851%0.50846%0.457SS..  trans-74.3-36.7-174-62.893000113I398 G401 D405 V406 F407I398-W403 HydrophobicContact CB-CZ3 4.43Å; I398-W403 HydrophobicContact CD1-CZ3 4.47Å; I398-W403 HydrophobicContact CG1-CE3 4.06Å; I398-W403 HydrophobicContact CG1-CZ3 4Å; I398-W403 HydrophobicContact CG2-CE3 4.45Å; I398-W403 HydrophobicContact CG2-CH2 3.53Å; I398-W403 HydrophobicContact CG2-CZ2 3.97Å; I398-W403 HydrophobicContact CG2-CZ3 3.79Å; G401-W403 VanDerWaalsContact C-N 3.33Å; G401-W403 PolarHBondContact O-N 3.02Å; G401-W403 VanDerWaalsContact O-N 3.13Å; W403-D405 VanDerWaalsContact C-N 3.34Å; W403-D405 PolarHBondContact O-N 3.35Å; W403-V406 PolarHBondContact O-N 3.38Å; W403-V406 VanDerWaalsContact O-N 3.14Å; W403-F407 HydrophobicContact CE3-CE2 4.25Å; W403-F407 PolarHBondContact O-N 3.26Å
404E58.3Low63.3Low140 Ų140101.7 Ų101.765%0.65449%0.493SS*.Hα-helixtrans-56.8-45.5-180-70.374.5-169.200112V406 F407 L408E404-V406 PolarHBondContact O-N 2.94Å; E404-F407 PolarHBondContact O-N 2.86Å; E404-L408 WeakPolarHBondContact O-CD1 3.43Å
405D58.9Low61Low79 Ų79105.6 Ų105.642%0.42252%0.517SS..Hα-helixtrans-63.9-12.2-179.1-86.3-20.5000114.1K370 W403K370-D405 PolarHBondContact NZ-O 3.05Å; W403-D405 VanDerWaalsContact C-N 3.34Å; W403-D405 PolarHBondContact O-N 3.35Å
406V57.8Low58.8Low27 Ų27106.9 Ų106.916%0.16453%0.534CS..Hα-helixtrans-100.8-28.4-178.7-178.60000112.3L397 I398 W403 E404L397-V406 HydrophobicContact CB-CG2 4.1Å; I398-V406 HydrophobicContact CD1-CG1 4.29Å; I398-V406 HydrophobicContact CG1-CG2 4.32Å; W403-V406 PolarHBondContact O-N 3.38Å; W403-V406 VanDerWaalsContact O-N 3.14Å; E404-V406 PolarHBondContact O-N 2.94Å
407F53.3Low56.6Low125 Ų125110.7 Ų110.755%0.54856%0.555SS.*Hα-helixtrans-101.6-7.4-170.2-82.5-85.2000116.2W403 E404 D409 S410W403-F407 HydrophobicContact CE3-CE2 4.25Å; W403-F407 PolarHBondContact O-N 3.26Å; E404-F407 PolarHBondContact O-N 2.86Å; F407-D409 PolarHBondContact O-N 3.28Å; F407-S410 PolarHBondContact O-N 3.28Å; F407-S410 PolarHBondContact O-OG 2.86Å
408L52.7Low54.3Low122 Ų122119 Ų11964%0.63959%0.591SS**THydrogen-bonded Turntrans-60.3-18.4-179-109.275.1000115.7E404 T411E404-L408 WeakPolarHBondContact O-CD1 3.43Å; L408-T411 PolarHBondContact O-OG1 3.45Å
409D47.5Very low52.2Low106 Ų106122 Ų12257%0.56761%0.614SS**THydrogen-bonded Turntrans-78.9-22.4-177.8-169.736.9000113.3F407F407-D409 PolarHBondContact O-N 3.28Å
410S41.9Very low50.1Low82 Ų82121.5 Ų121.557%0.57362%0.62SS**SBendtrans-76.6-25.9-177.456.20000114.1F407F407-S410 PolarHBondContact O-N 3.28Å; F407-S410 PolarHBondContact O-OG 2.86Å
411T40.4Very low48.4Very low106 Ų106123.7 Ų123.765%0.6564%0.637SS**G310 helixtrans-83-20.3-171.454.20000114L408 R413L408-T411 PolarHBondContact O-OG1 3.45Å; T411-R413 PolarHBondContact O-N 3.49Å
412Q43Very low47Very low167 Ų167128.4 Ų128.478%0.7865%0.653SS**G310 helixtrans-79.2-13.9-177.8-64.2-165.84.700114.4
413R41.8Very low45.7Very low199 Ų199128.5 Ų128.575%0.75166%0.663SS**G310 helixtrans-920.6-171.8-71.3-169.2179.1-169.20.9116.1T411T411-R413 PolarHBondContact O-N 3.49Å
414H43.7Very low45.3Very low168 Ų168128 Ų12878%0.77868%0.677SS**SBendtrans-135.384.5178.1-86.157.2000111.9
415N40.6Very low44.5Very low146 Ų146129.6 Ų129.678%0.78168%0.684SS**  trans-167.767.5154.2-101.7-37.3000112.3
416V42.2Very low43.6Very low143 Ų143137.8 Ų137.887%0.86771%0.709SS**  trans-99.565.9164.5-171.10000109.1
417I41Very low42.9Very low141 Ų141140.4 Ų140.472%0.72374%0.741SS**  trans-111.9100166.6-58.5177.5000106.5
418K37Very low42.6Very low177 Ų177139.5 Ų139.577%0.7775%0.75SS**  trans-74.4129.6168-69-173.9178.2-177.20108.2V420K418-V420 PolarHBondContact O-N 2.87Å
419P38.9Very low42.5Very low119 Ų119140.1 Ų140.177%0.77376%0.762SS**  trans-57135.1167.5-22.633.9000110.1
420V38.4Very low42.7Very low121 Ų121143.9 Ų143.973%0.73377%0.773SS**  trans-98.4115.4168.4176.10000107.1K418 N422K418-V420 PolarHBondContact O-N 2.87Å; V420-N422 PolarHBondContact O-N 3.5Å
421D42.9Very low42.9Very low158 Ų158144.9 Ų144.985%0.84579%0.787SS**  trans-69.391.7175.1-77.9-46.4000110.5
422N41.6Very low43.4Very low138 Ų138148 Ų14874%0.73880%0.798SS**  trans-72.5128.6169.1-84.5-24.7000109.9V420V420-N422 PolarHBondContact O-N 3.5Å
423P40.8Very low43.9Very low101 Ų101149.3 Ų149.366%0.65680%0.801SS**  trans-65.8144-178.125.7-33.9000112.2H425P423-H425 PolarHBondContact O-N 3.08Å; P423-H425 VanDerWaalsContact O-N 3.17Å
424P47.3Very low43.9Very low124 Ų124149.5 Ų149.581%0.80581%0.808SS**  trans-80.6102.4-166.430.6-35.9000112.9
425H42.1Very low44Very low173 Ų173148.7 Ų148.780%0.80181%0.807SS**  trans-123.9112173.8-79.7-0.4000113.5P423P423-H425 PolarHBondContact O-N 3.08Å; P423-H425 VanDerWaalsContact O-N 3.17Å
426R41.4Very low43.9Very low251 Ų251151.4 Ų151.495%0.94781%0.813SS**  trans46.584.4158.6-64-177.9176.5-110.9-1.3116.1
427G42Very low43.8Very low82 Ų82152.2 Ų152.285%0.84581%0.811SS**  trans-66.9160.4174.400000114.7
428S48.1Very low43.6Very low105 Ų105153.7 Ų153.773%0.73481%0.814SS**  trans-107.4132.1171.160.80000110.5K430S428-K430 VanDerWaalsContact C-N 3.32Å; S428-K430 PolarHBondContact O-N 3.26Å
429P50.3Low43.8Very low136 Ų136154.4 Ų154.488%0.88382%0.82SS**  trans-83.271.7-174.833.4-36000112
430K52Low43.7Very low184 Ų184155 Ų15580%0.882%0.822SS**  trans-137.6118.7166.1-80.3-173.6175.8176.30110.7S428 L432S428-K430 VanDerWaalsContact C-N 3.32Å; S428-K430 PolarHBondContact O-N 3.26Å; K430-L432 PolarHBondContact O-N 3.11Å
431A46.3Very low43.5Very low104 Ų104152.3 Ų152.386%0.8682%0.819SS**PPolyproline II helixtrans-68.1127.7170.700000110.1
432L50.8Low42.9Very low171 Ų171154.6 Ų154.690%0.89582%0.821SS**PPolyproline II helixtrans-74.6135172.9-67.5170.1000109.5K430K430-L432 PolarHBondContact O-N 3.11Å
433K51.6Low42.4Very low194 Ų194155.9 Ų155.984%0.84383%0.827SS**PPolyproline II helixtrans-70141.8173.9-68.5-172.8175.7-175.90109.7I435K433-I435 PolarHBondContact O-N 3.25Å
434K43.2Very low42.1Very low204 Ų204158.6 Ų158.689%0.88784%0.835SS**PPolyproline II helixtrans-59.5128.8162-83.6-171.5173-175.30108.8
435I44.7Very low41.2Very low150 Ų150161.4 Ų161.477%0.76984%0.837SS**PPolyproline II helixtrans-102.4129.1166-56.2176.3000105.6K433K433-I435 PolarHBondContact O-N 3.25Å
436F40.1Very low40.6Very low204 Ų204159.4 Ų159.490%0.89584%0.837SS**PPolyproline II helixtrans-74.6133.4168.2-106.4-96.2000108.6
437I39.1Very low40Very low160 Ų160154.2 Ų154.282%0.82183%0.833SS**PPolyproline II helixtrans-99125171.9-61.3175.2000106.5
438E37Very low39.4Very low172 Ų172158.1 Ų158.180%0.80484%0.835SS**PPolyproline II helixtrans-101.3131.5-177.5-160.7165.2-131.400109.4T440E438-T440 PolarHBondContact O-N 3.28Å; E438-T440 VanDerWaalsContact O-N 3.09Å
439E40.6Very low38.4Very low191 Ų191157.8 Ų157.889%0.89384%0.838SS**  trans-79.695.7-168.7-172.4169-15200111.4G441E439-G441 PolarHBondContact O-N 2.78Å
440T36.4Very low38Very low131 Ų131157 Ų15780%0.80483%0.833SS**  trans-82.959.4-177.838.40000112.6E438 K442E438-T440 PolarHBondContact O-N 3.28Å; E438-T440 VanDerWaalsContact O-N 3.09Å; T440-K442 PolarHBondContact O-N 3.25Å
441G35.1Very low36.7Very low65 Ų65155.2 Ų155.267%0.6783%0.832SS**  trans-65.796.9175.100000112.7E439 L443E439-G441 PolarHBondContact O-N 2.78Å; G441-L443 PolarHBondContact O-N 2.95Å
442K30.4Very low35.7Very low206 Ų206154.5 Ų154.590%0.89682%0.821SS**  trans-70.694.9169.1-78.8-169.7172.8-172.90110.8T440T440-K442 PolarHBondContact O-N 3.25Å
443L31.7Very low34.5Very low165 Ų165152.5 Ų152.586%0.86482%0.816SS**PPolyproline II helixtrans-67.9149.3161-132.274.1000109.9G441G441-L443 PolarHBondContact O-N 2.95Å
444I33.3Very low33.3Very low158 Ų158148 Ų14881%0.8182%0.815SS**PPolyproline II helixtrans-81.7125.1-176.2-60.4175.6000109.8
445E29Very low32.5Very low183 Ų183143 Ų14386%0.85581%0.812SS**PPolyproline II helixtrans-68.5140.2177.4-62.6178.7133.800112.2
446T29Very low31.5Very low131 Ų131140.4 Ų140.480%0.80481%0.813SS**  trans-131.192.4166.942.60000111.1
447V29.7Very low31.5Very low143 Ų143135.3 Ų135.387%0.86780%0.8SS**  trans40119.8154.9-169.60000119.3
448N29Very low30.9Very low164 Ų164136.3 Ų136.388%0.87780%0.801SS**  trans-66.1148.3177.6-51.1-71.4000115.8
449A28Very low30.3Very low98 Ų98132.2 Ų132.281%0.8179%0.792SS**  trans-154.9149.5130.300000109.7
450P40.8Very low29.5Very low120 Ų120129.1 Ų129.178%0.77978%0.781SS**  trans-107.9167.1-164.840.9-35.3000114.7
451D25.9Very low29Very low146 Ų146131.1 Ų131.178%0.78178%0.781SS**  -161.8148.3114.3-130.3-37000116.4
452S25.4Very low28.4Very low89 Ų89131.8 Ų131.862%0.62278%0.781SS**  trans36.3129.2147.4-69.70000126.2
453T25.7Very low28.1Very low129 Ų129128.8 Ų128.879%0.79177%0.774SS**  trans80.1109.9133.352.20000123.8
454A26Very low27.8Very low100 Ų100125.1 Ų125.183%0.82676%0.762SS**  99.6157.7116.200000122
455A26Very low27.3Very low98 Ų98124.3 Ų124.381%0.8177%0.765SS**  trans70.376.9162.100000120
456A23.6Very low27.1Very low95 Ų95119.9 Ų119.979%0.78576%0.76SS**  -66.5169.9129.600000109.2
457P40.1Very low26.9Very low97 Ų97118.2 Ų118.263%0.6376%0.759SS**  cis-152.8179.527.544.8-23.9000119.1
458Q26.3Very low26.8Very low182 Ų182117.6 Ų117.685%0.8576%0.755SS**  trans67.9154.1141.1-79.6159.85.900119.5
459S23.7Very low26.7Very low86 Ų86115.6 Ų115.660%0.60175%0.749SS**  cis-167.6157.3-7.346.30000112.6
460N25.4Very low26.7Very low125 Ų125116.9 Ų116.967%0.66875%0.747SS**  trans69.6126.4142.9-714.5000118.2
461Q24.6Very low26.1Very low174 Ų174117.4 Ų117.481%0.81374%0.739SS**  64.3140.978-65.8178.16.500113.7
462A23.6Very low26.1Very low79 Ų79116.3 Ų116.365%0.65373%0.733SS**  cis-167.1170.4-15.600000109.9
463D23.7Very low26.3Very low142 Ų142118.1 Ų118.176%0.75973%0.73SS**  trans50.2112.1147.3-87.1-67.7000123.1
464S24.3Very low26.4Very low88 Ų88119.9 Ų119.962%0.61573%0.726SS**  73.7131.5113.6-66.90000123.1
465T23.3Very low26.5Very low142 Ų142121.8 Ų121.887%0.87172%0.723SS**  trans69.7147.6152.558.50000119.8
466A24.9Very low26.6Very low90 Ų90121.3 Ų121.374%0.74471%0.713SS**  cis-169168.4-20.900000112.8
467A26Very low27Very low96 Ų96121.1 Ų121.179%0.79371%0.706SS**  trans89.6173142.100000121.5
468V26.5Very low26.5Very low129 Ų129125 Ų12578%0.78272%0.716SS**  trans83.995.6178.3-171.50000114.4
469V27.9Very low26.4Very low123 Ų123119.2 Ų119.275%0.74571%0.706SS**  88.7127.462.3160.50000111.5
470T27.4Very low26.6Very low124 Ų124122 Ų12276%0.76171%0.713SS**  cis-163.7176.2-0.323.30000109
471E27.9Very low26.6Very low132 Ų132122.1 Ų122.162%0.61772%0.719SS**  cis-132.3-119.95.2-151.3-155.8119.700111.3K473E471-K473 WeakPolarHBondContact OE1-CG 3.35Å; E471-K473 IonicContact OE1-NZ 3.5Å; E471-K473 PolarHBondContact OE1-NZ 3.48Å; E471-K473 IonicContact OE2-NZ 3.61Å; E471-K473 PolarHBondContact OE2-NZ 3.23Å
472N25.8Very low26.8Very low122 Ų122123 Ų12365%0.65272%0.721SS**  cis-157.2120.7-3.3-150.6-21.8000111.9
473K30.1Very low27.6Very low128 Ų128124.8 Ų124.856%0.55773%0.726SS**  trans36.5143151.8-62.7176.3-165610121.8E471E471-K473 WeakPolarHBondContact OE1-CG 3.35Å; E471-K473 IonicContact OE1-NZ 3.5Å; E471-K473 PolarHBondContact OE1-NZ 3.48Å; E471-K473 IonicContact OE2-NZ 3.61Å; E471-K473 PolarHBondContact OE2-NZ 3.23Å
474K27.6Very low27.7Very low165 Ų165123 Ų12372%0.71773%0.73SS**  cis-163.2137.15.7-125.1174.9177-173.40112.7
475N28.6Very low27.7Very low140 Ų140121.9 Ų121.975%0.74973%0.733SS**  45.8145.7126.7-67.156.2000122.1
476S28.3Very low28Very low88 Ų88122.9 Ų122.962%0.61573%0.733SS**  cis-165.8148.95.7-138.70000114.3
477S30.7Very low28Very low91 Ų91124.7 Ų124.764%0.63674%0.735SS**  trans37.2154.3133600000122.5
478Q29.6Very low28.7Very low179 Ų179125.1 Ų125.184%0.83673%0.73SS**  cis-164175.55-117.4157.7-41.800106.7
479G25.4Very low28.7Very low61 Ų61130.4 Ų130.463%0.62974%0.736SS**  cis150.4136.4-0.500000112.2
480D27.6Very low28.5Very low143 Ų143128.3 Ų128.377%0.76573%0.731SS**  trans75.7105.5149.6-53.5-19.4000124.2
481T25.8Very low28.5Very low129 Ų129132 Ų13279%0.79174%0.737SS**  93.9139.8119-51.40000123.4
482F28.2Very low28.5Very low192 Ų192131.1 Ų131.184%0.84274%0.74SS**  trans-60.4176172-69-77.2000114.9
483P39.3Very low28.4Very low117 Ų117132.1 Ų132.176%0.7674%0.744SS**  cis-152.2-175.130.545.8-24.7000119.6
484A25.8Very low28Very low104 Ų104134.3 Ų134.386%0.8675%0.754SS**  trans56.3159.8154.900000119.1
485G24.6Very low28Very low65 Ų65131.5 Ų131.567%0.6775%0.746SS**  cis179.8-169.9-0.100000110.5
486D29.2Very low27.9Very low163 Ų163131.9 Ų131.987%0.87274%0.743SS**  trans56.395162.4-62.1-10.7000121.6
487T26.4Very low27.7Very low127 Ų127135.8 Ų135.878%0.77975%0.751SS**  trans-47.7153.1130.550.90000111.3
488P40.2Very low27.5Very low106 Ų106138.1 Ų138.169%0.68876%0.756SS**  -162171.759.344.3-23.1000120.6
489R25.2Very low27.3Very low240 Ų240134.5 Ų134.591%0.90675%0.75SS**  trans64.9161.5152.1-78.3172.8167.7-173.7-2.6117.9
490A25Very low27.5Very low79 Ų79138 Ų13865%0.65375%0.754SS**  cis-175.9162.2-34.200000108.9
491K28.1Very low27.5Very low201 Ų201136.4 Ų136.487%0.87475%0.75SS**  trans69.6154.8166.9-66.2179.7175.9-176.70116.8
492V27.3Very low27.6Very low114 Ų114138.1 Ų138.169%0.69175%0.753SS**  cis-169153.8-3377.40000108.7
493L23.8Very low27.5Very low142 Ų142133 Ų13374%0.74375%0.747SS**  trans69.6133.8166.9-62.6173.6000115.7
494K22.3Very low26.8Very low175 Ų175135 Ų13576%0.76175%0.75SS**  69.9136.771.7-99-172.2167.1-1540112.3
495I27.1Very low26.5Very low106 Ų106138.1 Ų138.154%0.54475%0.747SS.*  cis-165.2174.59.1-151.9164.3000111.8
496E25.4Very low26.9Very low147 Ų147140.3 Ų140.369%0.68775%0.749SS**  trans58.2142.3169.4-76120.2-125.100118.9
497E24.4Very low26.7Very low170 Ų170140.3 Ų140.379%0.79474%0.744SS**  cis87125.241.8-141.8-173.4-169.300112
498I27.6Very low26.7Very low141 Ų141139.9 Ų139.972%0.72374%0.741SS**  -176.1151.573.3-82.3169.6000110.1
499S25.5Very low25.9Very low102 Ų102141.6 Ų141.671%0.71374%0.744SS**  trans23.8164.2153-71.40000124.6
500D27.9Very low25.9Very low135 Ų135136 Ų13672%0.72273%0.732SS**  cis-173.1-166.6-18.6-108.8-74000108
501T28.9Very low25.9Very low109 Ų109141.3 Ų141.367%0.66974%0.74SS**  cis-162.2159.32.6-10000110.4
502L27.9Very low25.8Very low165 Ų165138.2 Ų138.286%0.86473%0.729SS**  trans61.6151.5147.2-68.4168.7000121.2
503A26Very low25.7Very low86 Ų86139.2 Ų139.271%0.71173%0.726SS**  cis-147.1-150.7-0.500000110
504L24.6Very low25.7Very low157 Ų157138.8 Ų138.882%0.82273%0.729SS**  cis-153.4-1305.6-139.7175.7000112.5
505Q20.2Very low25.7Very low171 Ų171133.3 Ų133.380%0.79972%0.722SS**  trans-159.1-170.3-162.7-80.8-160.7-25.500112.7
506P32.3Very low25.5Very low111 Ų111137.1 Ų137.172%0.72174%0.738SS**  cis-132.5-1506.546.2-27.1000114.2
507Q25.5Very low25.3Very low163 Ų163135.5 Ų135.576%0.76274%0.742SS**  cis-151.4160.43.2-110-157-45.800107.2
508V24.9Very low25.3Very low118 Ų118137.2 Ų137.272%0.71575%0.748SS**  cis93.1130.538.4150.80000114.7
509D24.8Very low25.3Very low142 Ų142134.4 Ų134.476%0.75974%0.74SS**  cis-153.9-141.6-19.9-152.7-132.4000108.8
510L25.6Very low25.2Very low122 Ų122136.8 Ų136.864%0.63974%0.74SS**  cis-167.5135.86-148-172.9000111.4Q512L510-Q512 HydrophobicContact CD2-CG 3.83Å
511K24Very low25.1Very low191 Ų191137.9 Ų137.983%0.8374%0.739SS**  trans147.6138.2148.2-87.1-174.7-178.5-174.90112.9
512Q26.9Very low24.8Very low136 Ų136139.8 Ų139.864%0.63674%0.743SS**  cis158.3149.6-25.4-103.2-176.5-5900106.3L510L510-Q512 HydrophobicContact CD2-CG 3.83Å
513E25.2Very low24.9Very low135 Ų135137.9 Ų137.963%0.63174%0.741SS**  cis-167.3173.9-17-131.1-173.2116.900105.3
514V22.7Very low24.7Very low133 Ų133140.1 Ų140.181%0.80675%0.745SS**  cis-141.4156.316.8176.20000106.6
515G23.4Very low24.6Very low60 Ų60142.1 Ų142.162%0.61975%0.747SS**  cis-155.1-173.56.100000113.6
516Q22.3Very low25.4Very low186 Ų186140.2 Ų140.287%0.86975%0.747SS**  trans-74.7156.5-157-65.8150-2.700114.9
517S20.9Very low25Very low112 Ų112143.4 Ų143.478%0.78375%0.752SS**  cis-142136.87.940.90000114.7
518F23.3Very low25.4Very low207 Ų207144.3 Ų144.391%0.90876%0.756SS**  trans-100.4164.9155.6-93.6-116.7000107.9
519S28.2Very low25.5Very low81 Ų81145.2 Ų145.257%0.56676%0.756SS**  cis178.6147.3-19.856.80000109.5
520E23.9Very low25.5Very low152 Ų152143.6 Ų143.671%0.7175%0.753SS**  trans59155.4151.9-62.9-166165.500119.4
521K25.9Very low25.8Very low159 Ų159144 Ų14469%0.69176%0.761SS**  cis-155.5147.1-15.5-114.9166.3-169148.70107.3
522I23.4Very low26Very low148 Ų148143.2 Ų143.276%0.75976%0.76SS**  trans-124.2132.1167-58.7177.9000108.2V524I522-V524 HydrophobicContact CG2-CG2 4.08Å
523P29.1Very low26.2Very low126 Ų126145.6 Ų145.682%0.81877%0.768SS**  trans-84.4124.6170.732.7-30.5000110.6
524V22.1Very low26.4Very low132 Ų132144 Ų14480%0.878%0.779SS**  trans-126.8147.6169.4-178.20000110.2I522I522-V524 HydrophobicContact CG2-CG2 4.08Å
525K21.9Very low27Very low199 Ų199143.8 Ų143.887%0.86578%0.778SS**  trans-49.9153.4-173.3-117.5169.8177.6175.10115
526V37.2Very low27.9Very low131 Ų131144.4 Ų144.479%0.79478%0.776SS**  trans-62.8132.2163.5176.20000110.2
527E23.6Very low29.7Very low178 Ų178142.1 Ų142.183%0.83278%0.775SS**  trans-132.3135.2161.2-160.4165.4-123.200108.9
528Q33.3Very low31.9Very low183 Ų183138.8 Ų138.886%0.85575%0.748SS**  trans-92111.8-174.4-71.3-179.2-20.900110.5
529I26.9Very low34.2Very low136 Ų136130.2 Ų130.270%0.69771%0.713SS**  trans-98.4129167.4-60.7-179.7000108.5
530P25.6Very low36.4Very low109 Ų109131.1 Ų131.171%0.70872%0.717SS**  trans-69.3164.6-172.7-21.633.8000115Q532P530-Q532 PolarHBondContact O-N 3.07Å
531V31.6Very low38.8Very low131 Ų131127.4 Ų127.479%0.79471%0.705SS**  trans-47.1109.1172.1-179.90000111.1F533V531-F533 PolarHBondContact O-N 2.83Å
532Q28.7Very low41.4Very low173 Ų173120.2 Ų120.281%0.80868%0.675SS**  trans-77.6112.1172.8-71.7-173.9-12.200109.7P530 A534P530-Q532 PolarHBondContact O-N 3.07Å; Q532-A534 PolarHBondContact O-N 3.01Å
533F30.1Very low43.8Very low186 Ų186116.9 Ų116.982%0.81667%0.669SS**  trans-60.1129.1169.6-79.9-108000109.8V531 T535V531-F533 PolarHBondContact O-N 2.83Å; F533-T535 PolarHBondContact O-N 3.34Å; F533-T535 VanDerWaalsContact O-N 3.09Å
534A30.3Very low46.2Very low103 Ų103115.2 Ų115.285%0.85165%0.653SS**  trans-65.2109.5167.700000109.1Q532 A536Q532-A534 PolarHBondContact O-N 3.01Å; A534-A536 PolarHBondContact O-N 3.01Å
535T34.7Very low49Very low128 Ų128109.5 Ų109.579%0.78562%0.619SS**  trans-71100.1-179.635.10000110.6F533 V537F533-T535 PolarHBondContact O-N 3.34Å; F533-T535 VanDerWaalsContact O-N 3.09Å; T535-V537 PolarHBondContact O-N 3.12Å
536A43.7Very low51.8Low72 Ų72107.1 Ų107.160%0.59561%0.609SS**  trans-61.8108.1175.800000110.7A534 L538 M561A534-A536 PolarHBondContact O-N 3.01Å; A536-L538 PolarHBondContact O-N 3.46Å; A536-L538 VanDerWaalsContact O-N 3.13Å; A536-M561 HydrophobicContact CB-CE 3.77Å
537V59.2Low53.9Low138 Ų138105.2 Ų105.284%0.83659%0.591SS**  trans-68.5109.8-178.6-179.50000109.7T535T535-V537 PolarHBondContact O-N 3.12Å
538L66.3Low56.8Low43 Ų4396.9 Ų96.923%0.22555%0.553CS.*PPolyproline II helixtrans-61.4131.9174.9-76.4164.4000110.8A536 M561 Q564 K568A536-L538 PolarHBondContact O-N 3.46Å; A536-L538 VanDerWaalsContact O-N 3.13Å; L538-M561 HydrophobicContact CD2-CB 4.42Å; L538-M561 HydrophobicContact CD2-CE 3.54Å; L538-M561 HydrophobicContact CD2-SD 4.11Å; L538-M561 HydrophobicContact CG-CE 3.85Å; L538-Q564 HydrophobicContact CD1-CB 4.14Å; L538-Q564 HydrophobicContact CD2-CB 4.16Å; L538-K568 VanDerWaalsContact CB-NZ 3.35Å; L538-K568 PolarHBondContact O-NZ 2.85Å
539P72.9Confident59.2Low26 Ų2689.4 Ų89.417%0.16952%0.517CS..PPolyproline II helixtrans-58.315717915.9-25000113.6D551 L555 Y565 K568P539-D551 HydrophobicContact CG-CB 4.23Å; P539-L555 HydrophobicContact CG-CD1 4.08Å; P539-Y565 HydrophobicContact CB-CD2 4.41Å; P539-Y565 HydrophobicContact CB-CE2 3.99Å; P539-Y565 HydrophobicContact CG-CD2 3.72Å; P539-Y565 HydrophobicContact CG-CE2 3.67Å; P539-Y565 HydrophobicContact CG-CG 4.44Å; P539-K568 PolarHBondContact O-NZ 3.16Å
540P73.8Confident61.9Low101 Ų10184.4 Ų84.466%0.65650%0.495SS*.PPolyproline II helixtrans-67.1165.2175.531.3-36.4000111.3Y565P540-Y565 WeakPolarHBondContact O-CE2 3.4Å
541V75.2Confident64.7Low74 Ų7479.9 Ų79.945%0.44847%0.465SS..PPolyproline II helixtrans-58127.6175.4-178.30000109.1K568 L573V541-K568 HydrophobicContact CG2-CB 4.15Å; V541-L573 HydrophobicContact CG1-CD1 4.46Å
542P80Confident67.2Low8 Ų873.7 Ų73.75%0.05243%0.427CS..PPolyproline II helixtrans-67.8141.8-175.226.2-33.5000111Q547 L548 Y565 I569 L577P542-Q547 HydrophobicContact CB-CB 4.09Å; P542-Q547 HydrophobicContact CB-CG 4.15Å; P542-L548 HydrophobicContact CB-CB 4.05Å; P542-L548 HydrophobicContact CG-CB 4.12Å; P542-L548 HydrophobicContact CG-CD1 4.28Å; P542-Y565 WeakPolarHBondContact CB-OH 3.4Å; P542-Y565 WeakPolarHBondContact CD-OH 3.5Å; P542-Y565 WeakPolarHBondContact CG-OH 3.2Å; P542-I569 HydrophobicContact CG-CD1 3.76Å; P542-I569 HydrophobicContact CG-CG1 4.37Å; P542-L577 HydrophobicContact CG-CD1 4.46Å; P542-L577 HydrophobicContact CG-CD2 4.35Å; P542-L577 VanDerWaalsContact O-CD2 3.23Å; P542-L577 WeakPolarHBondContact O-CD2 3.44Å
543A74.4Confident69.9Low77 Ų7772.9 Ų72.964%0.63642%0.416SS*.SBendtrans-88.8-22.9175.600000113.5
544N79.3Confident72.3Confident92 Ų9270.9 Ų70.949%0.49241%0.409SS..SBendtrans-148.9154.9-172.2-65.7-65.5000110.9F546 Q547 L548N544-F546 VanDerWaalsContact C-N 3.28Å; N544-F546 PolarHBondContact O-N 3.37Å; N544-Q547 PolarHBondContact O-N 2.85Å; N544-L548 PolarHBondContact O-N 2.89Å
545S79.9Confident74.7Confident12 Ų1267.1 Ų67.18%0.08438%0.375CS..Hα-helixtrans-46.1-46.9173.8-168.40000113.4Q547 L548 E549 L577S545-Q547 PolarHBondContact O-N 2.61Å; S545-L548 CarbonylContact O-C 3.35Å; S545-L548 WeakPolarHBondContact O-CA 3.41Å; S545-L548 WeakPolarHBondContact O-CB 3.46Å; S545-L548 PolarHBondContact O-N 3.09Å; S545-E549 WeakPolarHBondContact CB-OE1 3.16Å; S545-E549 WeakPolarHBondContact O-CB 3.5Å; S545-E549 VanDerWaalsContact O-CG 3.27Å; S545-E549 WeakPolarHBondContact O-CG 3.45Å; S545-E549 PolarHBondContact O-N 3.39Å; S545-E549 PolarHBondContact OG-OE1 3.33Å; S545-L577 WeakPolarHBondContact CB-O 3.48Å; S545-L577 PolarHBondContact N-O 2.96Å; S545-L577 VanDerWaalsContact N-O 3.14Å
546F80.2Confident76.7Confident149 Ų14970.1 Ų70.165%0.65437%0.372SS*.Hα-helixtrans-61-29.1-178.8-61-65.2000114.5N544 E549 S550N544-F546 VanDerWaalsContact C-N 3.28Å; N544-F546 PolarHBondContact O-N 3.37Å; F546-E549 PolarHBondContact N-OE1 3.33Å; F546-S550 VanDerWaalsContact O-CB 3.3Å; F546-S550 WeakPolarHBondContact O-CB 3.46Å; F546-S550 PolarHBondContact O-N 3Å; F546-S550 VanDerWaalsContact O-N 3.09Å
547Q83.1Confident78.2Confident91 Ų9172.3 Ų72.343%0.42538%0.383SS..Hα-helixtrans-74.4-46.2173.7-172.265.751.400110.3P542 N544 S545 E549 S550 D551P542-Q547 HydrophobicContact CB-CB 4.09Å; P542-Q547 HydrophobicContact CB-CG 4.15Å; N544-Q547 PolarHBondContact O-N 2.85Å; S545-Q547 PolarHBondContact O-N 2.61Å; Q547-E549 PolarHBondContact O-N 2.84Å; Q547-S550 WeakPolarHBondContact O-CB 3.41Å; Q547-S550 PolarHBondContact O-N 2.91Å; Q547-S550 VanDerWaalsContact O-N 3.08Å; Q547-D551 PolarHBondContact NE2-OD1 3.09Å; Q547-D551 WeakPolarHBondContact O-CB 3.47Å; Q547-D551 VanDerWaalsContact O-CG 3.23Å; Q547-D551 PolarHBondContact O-N 3.21Å
548L84.1Confident79.3Confident3 Ų367.8 Ų67.82%0.01636%0.357CS..Hα-helixtrans-57-47.2175.7174.660.3000111.5P542 N544 S545 S550 D551 F552 Y565 I569 F578P542-L548 HydrophobicContact CB-CB 4.05Å; P542-L548 HydrophobicContact CG-CB 4.12Å; P542-L548 HydrophobicContact CG-CD1 4.28Å; N544-L548 PolarHBondContact O-N 2.89Å; S545-L548 CarbonylContact O-C 3.35Å; S545-L548 WeakPolarHBondContact O-CA 3.41Å; S545-L548 WeakPolarHBondContact O-CB 3.46Å; S545-L548 PolarHBondContact O-N 3.09Å; L548-S550 VanDerWaalsContact C-N 3.33Å; L548-S550 PolarHBondContact O-N 3.4Å; L548-D551 PolarHBondContact O-N 3.23Å; L548-F552 HydrophobicContact CD1-CD2 3.63Å; L548-F552 HydrophobicContact CD1-CE2 3.34Å; L548-F552 HydrophobicContact CD1-CZ 4.22Å; L548-F552 HydrophobicContact CG-CD2 4.38Å; L548-F552 HydrophobicContact CG-CE2 4.36Å; L548-F552 WeakPolarHBondContact O-CB 3.4Å; L548-F552 VanDerWaalsContact O-CD2 3.23Å; L548-F552 WeakPolarHBondContact O-CD2 3.37Å; L548-F552 PolarHBondContact O-N 3.25Å; L548-Y565 HydrophobicContact CD1-CE1 3.79Å; L548-I569 HydrophobicContact CD1-CD1 3.78Å; L548-F578 HydrophobicContact CD2-CE1 3.82Å; L548-F578 HydrophobicContact CD2-CE2 4.05Å; L548-F578 HydrophobicContact CD2-CZ 3.4Å
549E84.1Confident80Confident25 Ų2568.6 Ų68.612%0.11737%0.365CS..Hα-helixtrans-59.7-39.7172.9-69.1158.5-136.500112.8S545 F546 Q547 R553 V586S545-E549 WeakPolarHBondContact CB-OE1 3.16Å; S545-E549 WeakPolarHBondContact O-CB 3.5Å; S545-E549 VanDerWaalsContact O-CG 3.27Å; S545-E549 WeakPolarHBondContact O-CG 3.45Å; S545-E549 PolarHBondContact O-N 3.39Å; S545-E549 PolarHBondContact OG-OE1 3.33Å; F546-E549 PolarHBondContact N-OE1 3.33Å; Q547-E549 PolarHBondContact O-N 2.84Å; E549-R553 WeakPolarHBondContact O-CG 3.41Å; E549-R553 PolarHBondContact O-N 2.62Å; E549-R553 VanDerWaalsContact O-N 3.09Å; E549-R553 PolarHBondContact O-NE 3.17Å; E549-R553 IonicContact OE2-NH1 3.6Å; E549-V586 HydrophobicContact CG-CG2 4Å
550S83.3Confident80.4Confident32 Ų3271.3 Ų71.322%0.22438%0.378CS..Hα-helixtrans-66.9-49.7177.5-1730000110.9F546 Q547 L548 F552 R553 H554F546-S550 VanDerWaalsContact O-CB 3.3Å; F546-S550 WeakPolarHBondContact O-CB 3.46Å; F546-S550 PolarHBondContact O-N 3Å; F546-S550 VanDerWaalsContact O-N 3.09Å; Q547-S550 WeakPolarHBondContact O-CB 3.41Å; Q547-S550 PolarHBondContact O-N 2.91Å; Q547-S550 VanDerWaalsContact O-N 3.08Å; L548-S550 VanDerWaalsContact C-N 3.33Å; L548-S550 PolarHBondContact O-N 3.4Å; S550-F552 VanDerWaalsContact C-N 3.31Å; S550-F552 PolarHBondContact O-N 3.03Å; S550-R553 WeakPolarHBondContact O-CB 3.39Å; S550-R553 PolarHBondContact O-N 3.41Å; S550-R553 VanDerWaalsContact O-N 3.09Å; S550-H554 PolarHBondContact O-N 3.33Å; S550-H554 VanDerWaalsContact O-N 3.1Å; S550-H554 PolarHBondContact O-ND1 3.05Å
551D84.5Confident80.8Confident14 Ų1468.4 Ų68.48%0.07536%0.356CS..Hα-helixtrans-64.8-38.4-178.4-63.1-10.3000110.3P539 Q547 L548 R553 H554 L555 Y565P539-D551 HydrophobicContact CG-CB 4.23Å; Q547-D551 PolarHBondContact NE2-OD1 3.09Å; Q547-D551 WeakPolarHBondContact O-CB 3.47Å; Q547-D551 VanDerWaalsContact O-CG 3.23Å; Q547-D551 PolarHBondContact O-N 3.21Å; L548-D551 PolarHBondContact O-N 3.23Å; D551-R553 PolarHBondContact O-N 3.18Å; D551-H554 PolarHBondContact O-N 3.37Å; D551-L555 VanDerWaalsContact O-CB 3.31Å; D551-L555 WeakPolarHBondContact O-CB 3.34Å; D551-L555 WeakPolarHBondContact O-CG 3.42Å; D551-L555 PolarHBondContact O-N 3.21Å; D551-Y565 HydrophobicContact CB-CE1 3.81Å; D551-Y565 HydrophobicContact CB-CE2 4.42Å; D551-Y565 WeakPolarHBondContact CB-OH 3.36Å; D551-Y565 PolarHBondContact OD2-OH 3.36Å
552F84.4Confident81.2Confident1 Ų165.3 Ų65.30%0.00434%0.337CS..Hα-helixtrans-59.5-43170.7-90.8-126.8000112.6L548 S550 H554 L555 R556 L562 Y565 L566 V586 Q589 I590L548-F552 HydrophobicContact CD1-CD2 3.63Å; L548-F552 HydrophobicContact CD1-CE2 3.34Å; L548-F552 HydrophobicContact CD1-CZ 4.22Å; L548-F552 HydrophobicContact CG-CD2 4.38Å; L548-F552 HydrophobicContact CG-CE2 4.36Å; L548-F552 WeakPolarHBondContact O-CB 3.4Å; L548-F552 VanDerWaalsContact O-CD2 3.23Å; L548-F552 WeakPolarHBondContact O-CD2 3.37Å; L548-F552 PolarHBondContact O-N 3.25Å; S550-F552 VanDerWaalsContact C-N 3.31Å; S550-F552 PolarHBondContact O-N 3.03Å; F552-H554 VanDerWaalsContact C-N 3.32Å; F552-H554 PolarHBondContact O-N 3.44Å; F552-L555 PolarHBondContact O-N 3.34Å; F552-R556 WeakPolarHBondContact O-CB 3.4Å; F552-R556 PolarHBondContact O-N 3.44Å; F552-L562 HydrophobicContact CB-CD1 4.38Å; F552-L562 HydrophobicContact CD1-CD1 4.02Å; F552-L562 HydrophobicContact CD1-CD2 4.17Å; F552-L562 HydrophobicContact CD2-CD1 3.61Å; F552-L562 HydrophobicContact CE1-CD1 4.14Å; F552-L562 HydrophobicContact CE1-CD2 4.03Å; F552-L562 HydrophobicContact CE1-CG 4.25Å; F552-L562 HydrophobicContact CE2-CD1 3.73Å; F552-L562 HydrophobicContact CE2-CG 4.33Å; F552-L562 HydrophobicContact CG-CD1 3.76Å; F552-L562 HydrophobicContact CZ-CD1 3.99Å; F552-L562 HydrophobicContact CZ-CD2 4.42Å; F552-L562 HydrophobicContact CZ-CG 4.15Å; F552-Y565 HydrophobicContact CD2-CD1 4.28Å; F552-Y565 HydrophobicContact CD2-CE1 4.03Å; F552-Y565 AromaticContact CE2-CD1 3.96Å; F552-Y565 HydrophobicContact CE2-CD1 3.96Å; F552-Y565 AromaticContact CE2-CE1 3.95Å; F552-Y565 HydrophobicContact CE2-CE1 3.95Å; F552-L566 HydrophobicContact CZ-CD1 4.3Å; F552-V586 HydrophobicContact CD1-CG1 4.13Å; F552-V586 HydrophobicContact CE1-CG1 4.28Å; F552-Q589 HydrophobicContact CD1-CB 4.01Å; F552-Q589 HydrophobicContact CE1-CB 4Å; F552-I590 HydrophobicContact CE1-CG1 3.8Å; F552-I590 HydrophobicContact CZ-CG1 3.89Å
553R84.7Confident81.6Confident155 Ų15566.1 Ų66.159%0.58534%0.339SS*.Hα-helixtrans-63.4-35.4176.3-76.9-179.5-68.1-103.7-1.2112.8E549 S550 D551E549-R553 WeakPolarHBondContact O-CG 3.41Å; E549-R553 PolarHBondContact O-N 2.62Å; E549-R553 VanDerWaalsContact O-N 3.09Å; E549-R553 PolarHBondContact O-NE 3.17Å; E549-R553 IonicContact OE2-NH1 3.6Å; S550-R553 WeakPolarHBondContact O-CB 3.39Å; S550-R553 PolarHBondContact O-N 3.41Å; S550-R553 VanDerWaalsContact O-N 3.09Å; D551-R553 PolarHBondContact O-N 3.18Å
554H81.1Confident82.1Confident144 Ų14466.6 Ų66.667%0.66733%0.329SS*.Hα-helixtrans-78.7-34.4177.3-66.288.9000112.9S550 D551 F552S550-H554 PolarHBondContact O-N 3.33Å; S550-H554 VanDerWaalsContact O-N 3.1Å; S550-H554 PolarHBondContact O-ND1 3.05Å; D551-H554 PolarHBondContact O-N 3.37Å; F552-H554 VanDerWaalsContact C-N 3.32Å; F552-H554 PolarHBondContact O-N 3.44Å
555L80.3Confident82.3Confident24 Ų2462.2 Ų62.213%0.12631%0.305CS..Hα-helixtrans-89.81.1-179.8-64.6176.2000113.9P539 D551 F552 S557 S558 M561 L562 Y565P539-L555 HydrophobicContact CG-CD1 4.08Å; D551-L555 VanDerWaalsContact O-CB 3.31Å; D551-L555 WeakPolarHBondContact O-CB 3.34Å; D551-L555 WeakPolarHBondContact O-CG 3.42Å; D551-L555 PolarHBondContact O-N 3.21Å; F552-L555 PolarHBondContact O-N 3.34Å; L555-S557 PolarHBondContact O-N 2.86Å; L555-S558 PolarHBondContact O-N 3.12Å; L555-S558 PolarHBondContact O-OG 3.07Å; L555-M561 HydrophobicContact CD2-CB 4.09Å; L555-L562 HydrophobicContact CB-CD1 3.78Å; L555-L562 HydrophobicContact CD1-CD1 4.39Å; L555-Y565 HydrophobicContact CD1-CD1 4.25Å; L555-Y565 HydrophobicContact CD1-CG 4.15Å
556R76.2Confident82.6Confident191 Ų19161.7 Ų61.772%0.72130%0.301SS*.THydrogen-bonded Turntrans-53.4-29.3-179.3-172.3177.9179.1179.83.4113.8F552F552-R556 WeakPolarHBondContact O-CB 3.4Å; F552-R556 PolarHBondContact O-N 3.44Å
557S76Confident82.9Confident119 Ų11960.1 Ų60.183%0.83229%0.294SS*.THydrogen-bonded Turntrans-84.5-4.1-179.9-52.70000114.4L555L555-S557 PolarHBondContact O-N 2.86Å
558S81.9Confident83Confident42 Ų4259.6 Ų59.629%0.29429%0.291SS..  trans-138.980.1-174.546.70000112.4L555 D560 M561 L562L555-S558 PolarHBondContact O-N 3.12Å; L555-S558 PolarHBondContact O-OG 3.07Å; S558-D560 VanDerWaalsContact C-N 3.32Å; S558-D560 PolarHBondContact O-N 2.97Å; S558-M561 WeakPolarHBondContact O-CB 3.34Å; S558-M561 PolarHBondContact O-N 3.11Å; S558-L562 PolarHBondContact O-N 2.78Å; S558-L562 VanDerWaalsContact O-N 3.12Å
559P80.4Confident83Confident60 Ų6059.8 Ų59.839%0.3929%0.292SS..Hα-helixtrans-55.4-37.2-175.1-27.636.3000115M561 L562 Y563 I593 F597P559-M561 VanDerWaalsContact C-N 3.28Å; P559-M561 PolarHBondContact O-N 3.32Å; P559-L562 WeakPolarHBondContact O-CB 3.34Å; P559-L562 PolarHBondContact O-N 3.46Å; P559-L562 VanDerWaalsContact O-N 3.15Å; P559-Y563 PolarHBondContact O-N 3.22Å; P559-I593 HydrophobicContact CB-CD1 4.04Å; P559-F597 HydrophobicContact CB-CE2 3.57Å; P559-F597 HydrophobicContact CB-CZ 3.77Å
560D81.3Confident82.9Confident83 Ų8364.2 Ų64.244%0.44431%0.312SS..Hα-helixtrans-60.4-34.3174.1-70-87.1000113.6S558 Q564 F597 K601S558-D560 VanDerWaalsContact C-N 3.32Å; S558-D560 PolarHBondContact O-N 2.97Å; D560-Q564 WeakPolarHBondContact O-CG 3.44Å; D560-Q564 PolarHBondContact O-N 3.05Å; D560-F597 VanDerWaalsContact OD1-CE1 3.3Å; D560-F597 WeakPolarHBondContact OD1-CE1 3.03Å; D560-K601 IonicContact OD1-NZ 2.95Å
561M82.2Confident83Confident41 Ų4163.3 Ų63.320%0.20231%0.306CS..Hα-helixtrans-76.9-34176.8-62.9-67.1-79.500110.8A536 L538 L555 S558 P559 Q564 Y565A536-M561 HydrophobicContact CB-CE 3.77Å; L538-M561 HydrophobicContact CD2-CB 4.42Å; L538-M561 HydrophobicContact CD2-CE 3.54Å; L538-M561 HydrophobicContact CD2-SD 4.11Å; L538-M561 HydrophobicContact CG-CE 3.85Å; L555-M561 HydrophobicContact CD2-CB 4.09Å; S558-M561 WeakPolarHBondContact O-CB 3.34Å; S558-M561 PolarHBondContact O-N 3.11Å; P559-M561 VanDerWaalsContact C-N 3.28Å; P559-M561 PolarHBondContact O-N 3.32Å; M561-Q564 PolarHBondContact O-N 2.78Å; M561-Y565 VanDerWaalsContact O-CB 3.26Å; M561-Y565 WeakPolarHBondContact O-CB 3.45Å; M561-Y565 PolarHBondContact O-N 3.08Å
562L84.7Confident82.9Confident9 Ų964.6 Ų64.65%0.04732%0.315CS..Hα-helixtrans-65.1-41.2172.7-158.169.3000111.2F552 L555 S558 P559 Y565 L566 I593F552-L562 HydrophobicContact CB-CD1 4.38Å; F552-L562 HydrophobicContact CD1-CD1 4.02Å; F552-L562 HydrophobicContact CD1-CD2 4.17Å; F552-L562 HydrophobicContact CD2-CD1 3.61Å; F552-L562 HydrophobicContact CE1-CD1 4.14Å; F552-L562 HydrophobicContact CE1-CD2 4.03Å; F552-L562 HydrophobicContact CE1-CG 4.25Å; F552-L562 HydrophobicContact CE2-CD1 3.73Å; F552-L562 HydrophobicContact CE2-CG 4.33Å; F552-L562 HydrophobicContact CG-CD1 3.76Å; F552-L562 HydrophobicContact CZ-CD1 3.99Å; F552-L562 HydrophobicContact CZ-CD2 4.42Å; F552-L562 HydrophobicContact CZ-CG 4.15Å; L555-L562 HydrophobicContact CB-CD1 3.78Å; L555-L562 HydrophobicContact CD1-CD1 4.39Å; S558-L562 PolarHBondContact O-N 2.78Å; S558-L562 VanDerWaalsContact O-N 3.12Å; P559-L562 WeakPolarHBondContact O-CB 3.34Å; P559-L562 PolarHBondContact O-N 3.46Å; P559-L562 VanDerWaalsContact O-N 3.15Å; L562-Y565 PolarHBondContact O-N 3.13Å; L562-L566 VanDerWaalsContact O-CB 3.29Å; L562-L566 WeakPolarHBondContact O-CB 3.42Å; L562-L566 PolarHBondContact O-N 3.04Å; L562-I593 HydrophobicContact CB-CD1 4.21Å; L562-I593 HydrophobicContact CB-CG1 4.42Å; L562-I593 HydrophobicContact CD2-CD1 4.09Å; L562-I593 HydrophobicContact CD2-CG1 3.77Å; L562-I593 HydrophobicContact CG-CG1 4.23Å
563Y86.4Confident82.9Confident24 Ų2467 Ų679%0.09433%0.328CS..Hα-helixtrans-58.8-51.4169.5159.7-107.2000112.1P559 Y565 L566 K567 F597 Y598 K601P559-Y563 PolarHBondContact O-N 3.22Å; Y563-Y565 VanDerWaalsContact C-N 3.27Å; Y563-Y565 PolarHBondContact O-N 2.99Å; Y563-L566 PolarHBondContact O-N 3.26Å; Y563-K567 HydrophobicContact CE2-CD 4.4Å; Y563-K567 WeakPolarHBondContact O-CB 3.31Å; Y563-K567 PolarHBondContact O-N 2.75Å; Y563-F597 HydrophobicContact CD1-CD1 4.44Å; Y563-F597 HydrophobicContact CD2-CB 3.61Å; Y563-F597 HydrophobicContact CD2-CG 4.31Å; Y563-F597 HydrophobicContact CE2-CB 4.25Å; Y563-F597 HydrophobicContact CG-CB 3.86Å; Y563-F597 HydrophobicContact CG-CD1 4.23Å; Y563-F597 HydrophobicContact CG-CG 4.05Å; Y563-Y598 AromaticContact CD2-CD2 3.88Å; Y563-Y598 HydrophobicContact CD2-CD2 3.88Å; Y563-Y598 AromaticContact CD2-CE2 3.59Å; Y563-Y598 HydrophobicContact CD2-CE2 3.59Å; Y563-Y598 HydrophobicContact CE2-CD2 4.12Å; Y563-Y598 AromaticContact CE2-CE2 3.95Å; Y563-Y598 HydrophobicContact CE2-CE2 3.95Å; Y563-K601 HydrophobicContact CE1-CD 4.12Å
564Q85.1Confident82.9Confident88 Ų8859.6 Ų59.641%0.41130%0.3SS..Hα-helixtrans-62.4-33.6178.9-74.9179.252.700113.1L538 D560 M561L538-Q564 HydrophobicContact CD1-CB 4.14Å; L538-Q564 HydrophobicContact CD2-CB 4.16Å; D560-Q564 WeakPolarHBondContact O-CG 3.44Å; D560-Q564 PolarHBondContact O-N 3.05Å; M561-Q564 PolarHBondContact O-N 2.78Å
565Y84.7Confident83.1Confident0 Ų054.7 Ų54.70%028%0.281CS..Hα-helixtrans-73-46.6175.5176.3-113.6000112.1P539 P540 P542 L548 D551 F552 L555 M561 L562 Y563 K567 K568P539-Y565 HydrophobicContact CB-CD2 4.41Å; P539-Y565 HydrophobicContact CB-CE2 3.99Å; P539-Y565 HydrophobicContact CG-CD2 3.72Å; P539-Y565 HydrophobicContact CG-CE2 3.67Å; P539-Y565 HydrophobicContact CG-CG 4.44Å; P540-Y565 WeakPolarHBondContact O-CE2 3.4Å; P542-Y565 WeakPolarHBondContact CB-OH 3.4Å; P542-Y565 WeakPolarHBondContact CD-OH 3.5Å; P542-Y565 WeakPolarHBondContact CG-OH 3.2Å; L548-Y565 HydrophobicContact CD1-CE1 3.79Å; D551-Y565 HydrophobicContact CB-CE1 3.81Å; D551-Y565 HydrophobicContact CB-CE2 4.42Å; D551-Y565 WeakPolarHBondContact CB-OH 3.36Å; D551-Y565 PolarHBondContact OD2-OH 3.36Å; F552-Y565 HydrophobicContact CD2-CD1 4.28Å; F552-Y565 HydrophobicContact CD2-CE1 4.03Å; F552-Y565 AromaticContact CE2-CD1 3.96Å; F552-Y565 HydrophobicContact CE2-CD1 3.96Å; F552-Y565 AromaticContact CE2-CE1 3.95Å; F552-Y565 HydrophobicContact CE2-CE1 3.95Å; L555-Y565 HydrophobicContact CD1-CD1 4.25Å; L555-Y565 HydrophobicContact CD1-CG 4.15Å; M561-Y565 VanDerWaalsContact O-CB 3.26Å; M561-Y565 WeakPolarHBondContact O-CB 3.45Å; M561-Y565 PolarHBondContact O-N 3.08Å; L562-Y565 PolarHBondContact O-N 3.13Å; Y563-Y565 VanDerWaalsContact C-N 3.27Å; Y563-Y565 PolarHBondContact O-N 2.99Å; Y565-K567 VanDerWaalsContact C-N 3.25Å; Y565-K567 PolarHBondContact O-N 3.32Å; Y565-K568 WeakPolarHBondContact O-CB 3.43Å; Y565-K568 PolarHBondContact O-N 2.83Å
566L85.6Confident83.3Confident1 Ų159.8 Ų59.81%0.00530%0.302CS..Hα-helixtrans-60.2-36176.3-169.364.8000111.7F552 L562 Y563 K568 I569 Y574 I590 I593 Y598F552-L566 HydrophobicContact CZ-CD1 4.3Å; L562-L566 VanDerWaalsContact O-CB 3.29Å; L562-L566 WeakPolarHBondContact O-CB 3.42Å; L562-L566 PolarHBondContact O-N 3.04Å; Y563-L566 PolarHBondContact O-N 3.26Å; L566-K568 PolarHBondContact O-N 2.87Å; L566-I569 HydrophobicContact CD1-CD1 4.44Å; L566-I569 WeakPolarHBondContact O-CB 3.42Å; L566-I569 PolarHBondContact O-N 3.46Å; L566-Y574 HydrophobicContact CD1-CE1 4.31Å; L566-Y574 WeakPolarHBondContact CD1-OH 3.48Å; L566-I590 HydrophobicContact CD1-CG1 4.42Å; L566-I590 HydrophobicContact CD2-CG2 4.26Å; L566-I593 HydrophobicContact CD2-CB 4.38Å; L566-I593 HydrophobicContact CD2-CG2 3.92Å; L566-Y598 HydrophobicContact CD2-CE2 4.04Å
567K86.8Confident83.6Confident115 Ų11551.3 Ų51.350%0.527%0.271SS..THydrogen-bonded Turntrans-64.8-17.3174.1-175.8165.1177.4167.10114.2Y563 Y565 I569 Y598 E602Y563-K567 HydrophobicContact CE2-CD 4.4Å; Y563-K567 WeakPolarHBondContact O-CB 3.31Å; Y563-K567 PolarHBondContact O-N 2.75Å; Y565-K567 VanDerWaalsContact C-N 3.25Å; Y565-K567 PolarHBondContact O-N 3.32Å; K567-I569 VanDerWaalsContact C-N 3.3Å; K567-Y598 PolarHBondContact N-OH 3.39Å; K567-E602 WeakPolarHBondContact CE-OE1 3.48Å; K567-E602 IonicContact NZ-OE1 3.66Å; K567-E602 PolarHBondContact NZ-OE1 2.89Å
568K84.9Confident83.8Confident81 Ų8146 Ų4635%0.35223%0.233SC..THydrogen-bonded Turntrans-78.3-11.8169.5-56.9-175-174.4-178.30113.3L538 P539 V541 Y565 L566L538-K568 VanDerWaalsContact CB-NZ 3.35Å; L538-K568 PolarHBondContact O-NZ 2.85Å; P539-K568 PolarHBondContact O-NZ 3.16Å; V541-K568 HydrophobicContact CG2-CB 4.15Å; Y565-K568 WeakPolarHBondContact O-CB 3.43Å; Y565-K568 PolarHBondContact O-N 2.83Å; L566-K568 PolarHBondContact O-N 2.87Å
569I85.1Confident83.5Confident7 Ų749.4 Ų49.44%0.03624%0.244CC..SBendtrans-99.3107.6-174.8-52-179.6000109.1P542 L548 L566 K567 L573 Y574 L577P542-I569 HydrophobicContact CG-CD1 3.76Å; P542-I569 HydrophobicContact CG-CG1 4.37Å; L548-I569 HydrophobicContact CD1-CD1 3.78Å; L566-I569 HydrophobicContact CD1-CD1 4.44Å; L566-I569 WeakPolarHBondContact O-CB 3.42Å; L566-I569 PolarHBondContact O-N 3.46Å; K567-I569 VanDerWaalsContact C-N 3.3Å; I569-L573 HydrophobicContact CG2-CB 4.3Å; I569-Y574 HydrophobicContact CB-CE2 4.16Å; I569-Y574 HydrophobicContact CG2-CD2 3.96Å; I569-Y574 HydrophobicContact CG2-CE2 3.58Å; I569-L577 HydrophobicContact CG2-CD1 3.62Å
570E82.3Confident82.9Confident118 Ų11853.7 Ų53.755%0.55126%0.257SS*.  trans-62.9138.4175.5-169.7-168126.900111.1S572 L573 Y574E570-S572 VanDerWaalsContact CD-OG 3.31Å; E570-S572 PolarHBondContact O-N 3.32Å; E570-S572 VanDerWaalsContact O-N 3.07Å; E570-S572 VanDerWaalsContact OE1-CB 3.22Å; E570-S572 WeakPolarHBondContact OE1-CB 3.47Å; E570-S572 PolarHBondContact OE1-OG 3.23Å; E570-L573 HydrophobicContact CB-CD1 4.23Å; E570-L573 HydrophobicContact CB-CG 4.24Å; E570-L573 WeakPolarHBondContact O-CB 3.49Å; E570-L573 PolarHBondContact O-N 3.04Å; E570-Y574 WeakPolarHBondContact O-CD2 3.3Å
571P84.9Confident82.4Confident13 Ų1353.2 Ų53.28%0.08425%0.254CS..G310 helixtrans-51.8-33.3179.9-29.535.8000114.6L573 Y574 L606 E609 I610 R613P571-L573 PolarHBondContact O-N 3.35Å; P571-L573 VanDerWaalsContact O-N 3.17Å; P571-Y574 WeakPolarHBondContact O-CD2 3.05Å; P571-Y574 PolarHBondContact O-N 2.89Å; P571-L606 HydrophobicContact CG-CD1 3.72Å; P571-E609 HydrophobicContact CB-CB 4.4Å; P571-E609 HydrophobicContact CB-CG 3.76Å; P571-E609 HydrophobicContact CG-CG 4.31Å; P571-I610 HydrophobicContact CB-CG1 4.4Å; P571-I610 HydrophobicContact CG-CG1 3.97Å; P571-R613 HydrophobicContact CB-CG 4.2Å; P571-R613 WeakPolarHBondContact O-CG 3.23Å
572S82.7Confident82.5Confident40 Ų4051.8 Ų51.828%0.2825%0.247SC..G310 helixtrans-64.9-15.6177.782.40000114.7E570E570-S572 VanDerWaalsContact CD-OG 3.31Å; E570-S572 PolarHBondContact O-N 3.32Å; E570-S572 VanDerWaalsContact O-N 3.07Å; E570-S572 VanDerWaalsContact OE1-CB 3.22Å; E570-S572 WeakPolarHBondContact OE1-CB 3.47Å; E570-S572 PolarHBondContact OE1-OG 3.23Å
573L84.3Confident82.4Confident51 Ų5154.6 Ų54.627%0.26726%0.263SS..G310 helixtrans-88.9-22.5-179.8-60.3178.8000113.1V541 I569 E570 P571 K576 L577V541-L573 HydrophobicContact CG1-CD1 4.46Å; I569-L573 HydrophobicContact CG2-CB 4.3Å; E570-L573 HydrophobicContact CB-CD1 4.23Å; E570-L573 HydrophobicContact CB-CG 4.24Å; E570-L573 WeakPolarHBondContact O-CB 3.49Å; E570-L573 PolarHBondContact O-N 3.04Å; P571-L573 PolarHBondContact O-N 3.35Å; P571-L573 VanDerWaalsContact O-N 3.17Å; L573-K576 HydrophobicContact CD2-CD 4.26Å; L573-K576 CarbonylContact O-C 3.5Å; L573-K576 WeakPolarHBondContact O-CA 3.29Å; L573-K576 WeakPolarHBondContact O-CB 3.36Å; L573-K576 PolarHBondContact O-N 3.34Å; L573-L577 HydrophobicContact CB-CD1 4.15Å; L573-L577 HydrophobicContact CB-CG 4.42Å; L573-L577 WeakPolarHBondContact O-CG 3.33Å; L573-L577 PolarHBondContact O-N 2.78Å
574Y85Confident82.5Confident1 Ų155 Ų550%0.00427%0.268CS..Hα-helixtrans-56.2-45.7-175.4-72.9-116.6000112.5L566 I569 E570 P571 K576 L577 F578 I610 L614L566-Y574 HydrophobicContact CD1-CE1 4.31Å; L566-Y574 WeakPolarHBondContact CD1-OH 3.48Å; I569-Y574 HydrophobicContact CB-CE2 4.16Å; I569-Y574 HydrophobicContact CG2-CD2 3.96Å; I569-Y574 HydrophobicContact CG2-CE2 3.58Å; E570-Y574 WeakPolarHBondContact O-CD2 3.3Å; P571-Y574 WeakPolarHBondContact O-CD2 3.05Å; P571-Y574 PolarHBondContact O-N 2.89Å; Y574-K576 VanDerWaalsContact C-N 3.28Å; Y574-K576 PolarHBondContact O-N 2.95Å; Y574-L577 PolarHBondContact O-N 3.27Å; Y574-F578 HydrophobicContact CD1-CE2 4.08Å; Y574-F578 WeakPolarHBondContact O-CD2 3.47Å; Y574-F578 PolarHBondContact O-N 3.47Å; Y574-I610 HydrophobicContact CE1-CG2 3.91Å; Y574-L614 HydrophobicContact CD1-CD2 3.93Å; Y574-L614 HydrophobicContact CD1-CG 4.27Å
575P84.5Confident82.5Confident40 Ų4056.2 Ų56.226%0.2628%0.277SS..Hα-helixtrans-61.6-32.5173.9-24.636.4000114.1Q579P575-Q579 WeakPolarHBondContact O-CA 3.38Å; P575-Q579 PolarHBondContact O-N 3.49Å
576K84Confident82.7Confident132 Ų13256.5 Ų56.557%0.57428%0.279SS*.Hα-helixtrans-79.5-26.6179.9-62.1174.5-175.3163.20113.1L573 Y574 Q579L573-K576 HydrophobicContact CD2-CD 4.26Å; L573-K576 CarbonylContact O-C 3.5Å; L573-K576 WeakPolarHBondContact O-CA 3.29Å; L573-K576 WeakPolarHBondContact O-CB 3.36Å; L573-K576 PolarHBondContact O-N 3.34Å; Y574-K576 VanDerWaalsContact C-N 3.28Å; Y574-K576 PolarHBondContact O-N 2.95Å; K576-Q579 WeakPolarHBondContact O-CG 3.27Å; K576-Q579 PolarHBondContact O-NE2 2.94Å
577L82.6Confident82.9Confident13 Ų1356.5 Ų56.57%0.06828%0.279CS..Hα-helixtrans-79-49.5179.2-71.1169.8000111.9P542 S545 I569 L573 Y574P542-L577 HydrophobicContact CG-CD1 4.46Å; P542-L577 HydrophobicContact CG-CD2 4.35Å; P542-L577 VanDerWaalsContact O-CD2 3.23Å; P542-L577 WeakPolarHBondContact O-CD2 3.44Å; S545-L577 WeakPolarHBondContact CB-O 3.48Å; S545-L577 PolarHBondContact N-O 2.96Å; S545-L577 VanDerWaalsContact N-O 3.14Å; I569-L577 HydrophobicContact CG2-CD1 3.62Å; L573-L577 HydrophobicContact CB-CD1 4.15Å; L573-L577 HydrophobicContact CB-CG 4.42Å; L573-L577 WeakPolarHBondContact O-CG 3.33Å; L573-L577 PolarHBondContact O-N 2.78Å; Y574-L577 PolarHBondContact O-N 3.27Å
578F81.2Confident83.1Confident7 Ų751.4 Ų51.43%0.03126%0.257CS..Hα-helixtrans-84.4-37-174.8-67.7-67.5000113.5L548 Y574 K580 N581 L582 V586 I590 L614 L617L548-F578 HydrophobicContact CD2-CE1 3.82Å; L548-F578 HydrophobicContact CD2-CE2 4.05Å; L548-F578 HydrophobicContact CD2-CZ 3.4Å; Y574-F578 HydrophobicContact CD1-CE2 4.08Å; Y574-F578 WeakPolarHBondContact O-CD2 3.47Å; Y574-F578 PolarHBondContact O-N 3.47Å; F578-K580 VanDerWaalsContact C-N 3.27Å; F578-K580 PolarHBondContact O-N 2.79Å; F578-N581 WeakPolarHBondContact CB-O 3.07Å; F578-N581 PolarHBondContact O-N 3.32Å; F578-N581 VanDerWaalsContact O-O 3.07Å; F578-L582 HydrophobicContact CD1-CD1 3.85Å; F578-L582 HydrophobicContact CD2-CD1 4.27Å; F578-L582 HydrophobicContact CE1-CD1 3.81Å; F578-L582 HydrophobicContact CE2-CD1 4.24Å; F578-L582 HydrophobicContact CG-CD1 4.09Å; F578-L582 HydrophobicContact CZ-CD1 4Å; F578-V586 HydrophobicContact CE1-CG1 4.28Å; F578-V586 HydrophobicContact CZ-CG1 4.33Å; F578-I590 HydrophobicContact CE2-CD1 4.45Å; F578-I590 HydrophobicContact CZ-CD1 3.98Å; F578-L614 HydrophobicContact CE2-CD2 4.22Å; F578-L617 HydrophobicContact CB-CD1 3.92Å; F578-L617 HydrophobicContact CB-CD2 3.87Å; F578-L617 HydrophobicContact CD2-CD1 3.76Å; F578-L617 HydrophobicContact CG-CD1 4.04Å
579Q74.8Confident83.2Confident113 Ų11349.6 Ų49.653%0.52825%0.25SS..THydrogen-bonded Turntrans51.6-65.3174.4-53.3-174.711.600118.1P575 K576P575-Q579 WeakPolarHBondContact O-CA 3.38Å; P575-Q579 PolarHBondContact O-N 3.49Å; K576-Q579 WeakPolarHBondContact O-CG 3.27Å; K576-Q579 PolarHBondContact O-NE2 2.94Å
580K67.6Low83.5Confident150 Ų15049.2 Ų49.265%0.65225%0.248SC*.THydrogen-bonded Turntrans-124.5-24.1-173.7-64.7179.9-178.1174.70113F578 R619F578-K580 VanDerWaalsContact C-N 3.27Å; F578-K580 PolarHBondContact O-N 2.79Å; K580-R619 PolarHBondContact O-NE 3.33Å
581N72.3Confident83.9Confident74 Ų7443.7 Ų43.740%0.39622%0.222SC..  trans-130.2122.1-176.9-67-19.6000109.3F578 R619F578-N581 WeakPolarHBondContact CB-O 3.07Å; F578-N581 PolarHBondContact O-N 3.32Å; F578-N581 VanDerWaalsContact O-O 3.07Å; N581-R619 VanDerWaalsContact OD1-CZ 3.26Å; N581-R619 PolarHBondContact OD1-NE 3.46Å
582L82.3Confident84.2Confident10 Ų1046.3 Ų46.35%0.05223%0.232CC..  trans-107.9128.3158.7177.566.6000105.8F578 F587 L614 L617 A623F578-L582 HydrophobicContact CD1-CD1 3.85Å; F578-L582 HydrophobicContact CD2-CD1 4.27Å; F578-L582 HydrophobicContact CE1-CD1 3.81Å; F578-L582 HydrophobicContact CE2-CD1 4.24Å; F578-L582 HydrophobicContact CG-CD1 4.09Å; F578-L582 HydrophobicContact CZ-CD1 4Å; L582-F587 HydrophobicContact CD1-CB 4.19Å; L582-F587 HydrophobicContact CD2-CB 4.18Å; L582-F587 HydrophobicContact CD2-CD2 3.84Å; L582-F587 HydrophobicContact CD2-CG 4.17Å; L582-F587 HydrophobicContact CG-CB 4.16Å; L582-L614 HydrophobicContact CD1-CD2 4.48Å; L582-L617 HydrophobicContact CB-CD1 4.28Å; L582-L617 HydrophobicContact CD1-CD1 4.01Å; L582-L617 HydrophobicContact CD2-CD1 4.04Å; L582-L617 HydrophobicContact CG-CD1 4.34Å; L582-A623 HydrophobicContact CD2-CB 3.87Å; L582-A623 HydrophobicContact CG-CB 4.39Å
583D84.4Confident84.5Confident69 Ų6944.7 Ų44.737%0.36922%0.221SC..  trans-89.4131.4176.5-172.9-83.4000110.3D585 V586 F587D583-D585 VanDerWaalsContact C-N 3.33Å; D583-D585 PolarHBondContact O-N 3.09Å; D583-D585 WeakPolarHBondContact OD1-CB 3.45Å; D583-D585 PolarHBondContact OD1-N 3.42Å; D583-V586 HydrophobicContact CB-CB 4.35Å; D583-V586 HydrophobicContact CB-CG2 4.28Å; D583-V586 PolarHBondContact O-N 3.04Å; D583-F587 WeakPolarHBondContact O-CB 3.07Å; D583-F587 PolarHBondContact O-N 2.66Å
584P87Confident84.7Confident32 Ų3242.3 Ų42.321%0.20821%0.208CC..Hα-helixtrans-59.2-36.9-178.5-25.135000114.3F587 N588 F626P584-F587 PolarHBondContact O-N 2.92Å; P584-N588 VanDerWaalsContact O-CB 3.31Å; P584-N588 WeakPolarHBondContact O-CB 3.45Å; P584-N588 PolarHBondContact O-N 2.75Å; P584-N588 PolarHBondContact O-ND2 2.96Å; P584-F626 HydrophobicContact CB-CB 3.98Å; P584-F626 HydrophobicContact CG-CB 4.22Å; P584-F626 HydrophobicContact CG-CD2 3.85Å; P584-F626 HydrophobicContact CG-CG 4.34Å
585D86.5Confident85Confident113 Ų11344.8 Ų44.860%0.60422%0.22SC*.Hα-helixtrans-70.9-36.6-178.6-79.1-11.9000111D583 Q589D583-D585 VanDerWaalsContact C-N 3.33Å; D583-D585 PolarHBondContact O-N 3.09Å; D583-D585 WeakPolarHBondContact OD1-CB 3.45Å; D583-D585 PolarHBondContact OD1-N 3.42Å; D585-Q589 WeakPolarHBondContact O-CB 3.26Å; D585-Q589 VanDerWaalsContact O-CG 3.3Å; D585-Q589 WeakPolarHBondContact O-CG 3.44Å; D585-Q589 PolarHBondContact O-N 3.45Å; D585-Q589 PolarHBondContact O-NE2 3.22Å
586V88.6Confident85.1Confident7 Ų746.7 Ų46.74%0.04223%0.228CC..Hα-helixtrans-70.7-42174.8176.90000110.9E549 F552 F578 D583 Q589 I590E549-V586 HydrophobicContact CG-CG2 4Å; F552-V586 HydrophobicContact CD1-CG1 4.13Å; F552-V586 HydrophobicContact CE1-CG1 4.28Å; F578-V586 HydrophobicContact CE1-CG1 4.28Å; F578-V586 HydrophobicContact CZ-CG1 4.33Å; D583-V586 HydrophobicContact CB-CB 4.35Å; D583-V586 HydrophobicContact CB-CG2 4.28Å; D583-V586 PolarHBondContact O-N 3.04Å; V586-Q589 PolarHBondContact O-N 3.06Å; V586-I590 HydrophobicContact CG1-CD1 4.05Å; V586-I590 WeakPolarHBondContact O-CG1 3.28Å; V586-I590 PolarHBondContact O-N 3.17Å
587F90Very high85.2Confident0 Ų041.4 Ų41.40%021%0.205CC..Hα-helixtrans-57-50.9173.1174.2-107.7000111.5L582 D583 P584 Q589 I590 I591 L614 F620 A623 V624 M627 Y659L582-F587 HydrophobicContact CD1-CB 4.19Å; L582-F587 HydrophobicContact CD2-CB 4.18Å; L582-F587 HydrophobicContact CD2-CD2 3.84Å; L582-F587 HydrophobicContact CD2-CG 4.17Å; L582-F587 HydrophobicContact CG-CB 4.16Å; D583-F587 WeakPolarHBondContact O-CB 3.07Å; D583-F587 PolarHBondContact O-N 2.66Å; P584-F587 PolarHBondContact O-N 2.92Å; F587-Q589 VanDerWaalsContact C-N 3.27Å; F587-Q589 PolarHBondContact O-N 2.97Å; F587-I590 PolarHBondContact O-N 2.99Å; F587-I590 VanDerWaalsContact O-N 3.09Å; F587-I591 HydrophobicContact CD2-CG1 4.44Å; F587-I591 HydrophobicContact CE1-CG1 4.3Å; F587-I591 HydrophobicContact CE2-CD1 4.17Å; F587-I591 HydrophobicContact CE2-CG1 4.18Å; F587-I591 HydrophobicContact CZ-CD1 4.27Å; F587-I591 HydrophobicContact CZ-CG1 4.13Å; F587-I591 WeakPolarHBondContact O-CG1 3.37Å; F587-I591 PolarHBondContact O-N 3.32Å; F587-L614 HydrophobicContact CD2-CD1 4.49Å; F587-L614 HydrophobicContact CE2-CD1 4.43Å; F587-F620 HydrophobicContact CE2-CD2 4.2Å; F587-F620 AromaticContact CE2-CE2 3.84Å; F587-F620 HydrophobicContact CE2-CE2 3.84Å; F587-F620 HydrophobicContact CZ-CD2 4.43Å; F587-F620 AromaticContact CZ-CE2 3.84Å; F587-F620 HydrophobicContact CZ-CE2 3.84Å; F587-A623 HydrophobicContact CB-CB 4.19Å; F587-A623 HydrophobicContact CD1-CB 3.7Å; F587-A623 HydrophobicContact CE1-CB 4.14Å; F587-A623 HydrophobicContact CG-CB 3.92Å; F587-V624 HydrophobicContact CZ-CG2 4.42Å; F587-M627 HydrophobicContact CE1-CG 3.95Å; F587-M627 HydrophobicContact CE1-SD 3.92Å; F587-Y659 AromaticContact CE2-CE1 3.93Å; F587-Y659 HydrophobicContact CE2-CE1 3.93Å; F587-Y659 HydrophobicContact CZ-CD1 4.12Å; F587-Y659 AromaticContact CZ-CE1 3.61Å; F587-Y659 HydrophobicContact CZ-CE1 3.61Å
588N90.1Very high85.4Confident8 Ų841 Ų414%0.04320%0.202CC..Hα-helixtrans-62.1-31.1178.1-73.6-25.8000113P584 K592 E631P584-N588 VanDerWaalsContact O-CB 3.31Å; P584-N588 WeakPolarHBondContact O-CB 3.45Å; P584-N588 PolarHBondContact O-N 2.75Å; P584-N588 PolarHBondContact O-ND2 2.96Å; N588-K592 VanDerWaalsContact O-CD 3.31Å; N588-K592 WeakPolarHBondContact O-CD 3.49Å; N588-K592 VanDerWaalsContact O-CG 3.26Å; N588-K592 WeakPolarHBondContact O-CG 3.47Å; N588-K592 PolarHBondContact O-N 3.06Å; N588-E631 HydrophobicContact CB-CG 4.48Å; N588-E631 PolarHBondContact ND2-OE2 3.16Å
589Q88.1Confident85.6Confident43 Ų4342.5 Ų42.520%0.20121%0.21CC..Hα-helixtrans-70.3-41.9171.9-77.9166.492.200112.4F552 D585 V586 F587 K592 I593F552-Q589 HydrophobicContact CD1-CB 4.01Å; F552-Q589 HydrophobicContact CE1-CB 4Å; D585-Q589 WeakPolarHBondContact O-CB 3.26Å; D585-Q589 VanDerWaalsContact O-CG 3.3Å; D585-Q589 WeakPolarHBondContact O-CG 3.44Å; D585-Q589 PolarHBondContact O-N 3.45Å; D585-Q589 PolarHBondContact O-NE2 3.22Å; V586-Q589 PolarHBondContact O-N 3.06Å; F587-Q589 VanDerWaalsContact C-N 3.27Å; F587-Q589 PolarHBondContact O-N 2.97Å; Q589-K592 PolarHBondContact O-N 3.04Å; Q589-I593 PolarHBondContact O-N 2.66Å
590I89.8Confident86Confident0 Ų044.8 Ų44.80%022%0.221CC..Hα-helixtrans-61.5-46.4175.9-67.4165.4000110.4F552 L566 F578 V586 F587 K592 I593 L594 L614F552-I590 HydrophobicContact CE1-CG1 3.8Å; F552-I590 HydrophobicContact CZ-CG1 3.89Å; L566-I590 HydrophobicContact CD1-CG1 4.42Å; L566-I590 HydrophobicContact CD2-CG2 4.26Å; F578-I590 HydrophobicContact CE2-CD1 4.45Å; F578-I590 HydrophobicContact CZ-CD1 3.98Å; V586-I590 HydrophobicContact CG1-CD1 4.05Å; V586-I590 WeakPolarHBondContact O-CG1 3.28Å; V586-I590 PolarHBondContact O-N 3.17Å; F587-I590 PolarHBondContact O-N 2.99Å; F587-I590 VanDerWaalsContact O-N 3.09Å; I590-K592 VanDerWaalsContact C-N 3.31Å; I590-K592 PolarHBondContact O-N 2.87Å; I590-I593 PolarHBondContact O-N 3.46Å; I590-L594 HydrophobicContact CG2-CD1 4.06Å; I590-L594 HydrophobicContact CG2-CG 4.37Å; I590-L594 WeakPolarHBondContact O-CG 3.45Å; I590-L594 PolarHBondContact O-N 3.19Å; I590-L614 HydrophobicContact CG2-CD1 4.01Å
591I91.1Very high86.6Confident1 Ų142.2 Ų42.21%0.00521%0.21CC..Hα-helixtrans-59.1-40.8177.3-63.8-61.1000111.9F587 L594 H595 L611 I634 L638 Y659F587-I591 HydrophobicContact CD2-CG1 4.44Å; F587-I591 HydrophobicContact CE1-CG1 4.3Å; F587-I591 HydrophobicContact CE2-CD1 4.17Å; F587-I591 HydrophobicContact CE2-CG1 4.18Å; F587-I591 HydrophobicContact CZ-CD1 4.27Å; F587-I591 HydrophobicContact CZ-CG1 4.13Å; F587-I591 WeakPolarHBondContact O-CG1 3.37Å; F587-I591 PolarHBondContact O-N 3.32Å; I591-L594 HydrophobicContact CD1-CD1 4.46Å; I591-L594 PolarHBondContact O-N 3.43Å; I591-H595 PolarHBondContact O-N 2.98Å; I591-H595 VanDerWaalsContact O-N 3.09Å; I591-L611 HydrophobicContact CD1-CD2 3.5Å; I591-I634 HydrophobicContact CG2-CG2 4.05Å; I591-L638 HydrophobicContact CG2-CD1 4.01Å; I591-Y659 HydrophobicContact CD1-CE1 4.03Å
592K90.4Very high87.3Confident68 Ų6840.9 Ų40.930%0.29620%0.201SC..Hα-helixtrans-64.5-45.5176-72.5163.1-167.4166.30112.1N588 Q589 I590 L594 H595 D596 E631 I634N588-K592 VanDerWaalsContact O-CD 3.31Å; N588-K592 WeakPolarHBondContact O-CD 3.49Å; N588-K592 VanDerWaalsContact O-CG 3.26Å; N588-K592 WeakPolarHBondContact O-CG 3.47Å; N588-K592 PolarHBondContact O-N 3.06Å; Q589-K592 PolarHBondContact O-N 3.04Å; I590-K592 VanDerWaalsContact C-N 3.31Å; I590-K592 PolarHBondContact O-N 2.87Å; K592-L594 VanDerWaalsContact C-N 3.34Å; K592-L594 PolarHBondContact O-N 2.85Å; K592-H595 PolarHBondContact O-N 2.79Å; K592-H595 VanDerWaalsContact O-N 3.16Å; K592-D596 WeakPolarHBondContact O-CB 3.32Å; K592-D596 PolarHBondContact O-N 3.41Å; K592-E631 WeakPolarHBondContact CE-OE1 3.36Å; K592-E631 IonicContact NZ-OE1 3.85Å; K592-E631 PolarHBondContact NZ-OE1 2.9Å; K592-I634 HydrophobicContact CG-CD1 4.05Å
593I90Very high87.4Confident7 Ų748.1 Ų48.14%0.03623%0.232CC..Hα-helixtrans-65.3-35.4176.5-65.1-60.5000112.5P559 L562 L566 Q589 I590 H595 F597 Y598P559-I593 HydrophobicContact CB-CD1 4.04Å; L562-I593 HydrophobicContact CB-CD1 4.21Å; L562-I593 HydrophobicContact CB-CG1 4.42Å; L562-I593 HydrophobicContact CD2-CD1 4.09Å; L562-I593 HydrophobicContact CD2-CG1 3.77Å; L562-I593 HydrophobicContact CG-CG1 4.23Å; L566-I593 HydrophobicContact CD2-CB 4.38Å; L566-I593 HydrophobicContact CD2-CG2 3.92Å; Q589-I593 PolarHBondContact O-N 2.66Å; I590-I593 PolarHBondContact O-N 3.46Å; I593-H595 VanDerWaalsContact C-N 3.31Å; I593-H595 PolarHBondContact O-N 3.33Å; I593-F597 HydrophobicContact CD1-CD2 3.78Å; I593-F597 HydrophobicContact CD1-CE2 3.81Å; I593-F597 HydrophobicContact CG2-CD2 4.25Å; I593-F597 WeakPolarHBondContact O-CB 3.46Å; I593-F597 PolarHBondContact O-N 3.26Å; I593-Y598 HydrophobicContact CG2-CD2 4.3Å; I593-Y598 HydrophobicContact CG2-CE2 4.07Å; I593-Y598 PolarHBondContact O-N 2.82Å
594L89.2Confident87.4Confident0 Ų046.5 Ų46.50%023%0.225CC..Iπ-helixtrans-61.7-41173.1-71.7172.9000111.3I590 I591 K592 Y598 I599 I610 L611 L638I590-L594 HydrophobicContact CG2-CD1 4.06Å; I590-L594 HydrophobicContact CG2-CG 4.37Å; I590-L594 WeakPolarHBondContact O-CG 3.45Å; I590-L594 PolarHBondContact O-N 3.19Å; I591-L594 HydrophobicContact CD1-CD1 4.46Å; I591-L594 PolarHBondContact O-N 3.43Å; K592-L594 VanDerWaalsContact C-N 3.34Å; K592-L594 PolarHBondContact O-N 2.85Å; L594-Y598 HydrophobicContact CD2-CD1 3.9Å; L594-Y598 HydrophobicContact CD2-CD2 3.91Å; L594-Y598 HydrophobicContact CD2-CE1 4.23Å; L594-Y598 HydrophobicContact CD2-CE2 4.23Å; L594-Y598 HydrophobicContact CD2-CG 3.74Å; L594-Y598 WeakPolarHBondContact O-CB 3.45Å; L594-Y598 PolarHBondContact O-N 3.25Å; L594-I599 PolarHBondContact O-N 3.03Å; L594-I610 HydrophobicContact CD1-CG2 4.03Å; L594-I610 HydrophobicContact CD2-CD1 4.07Å; L594-I610 HydrophobicContact CD2-CG2 4.36Å; L594-L611 HydrophobicContact CD1-CD2 3.9Å; L594-L611 HydrophobicContact CD1-CG 4.32Å; L594-L638 HydrophobicContact CB-CD1 4.12Å; L594-L638 HydrophobicContact CB-CD2 4.13Å
595H89.6Confident87.3Confident53 Ų5347.4 Ų47.425%0.24524%0.236CC..Iπ-helixtrans-69.2-56.3175175.4-89000112.5I591 K592 I593 F597 I599 I634 L638I591-H595 PolarHBondContact O-N 2.98Å; I591-H595 VanDerWaalsContact O-N 3.09Å; K592-H595 PolarHBondContact O-N 2.79Å; K592-H595 VanDerWaalsContact O-N 3.16Å; I593-H595 VanDerWaalsContact C-N 3.31Å; I593-H595 PolarHBondContact O-N 3.33Å; H595-F597 VanDerWaalsContact C-N 3.31Å; H595-F597 PolarHBondContact O-N 3.48Å; H595-I599 HydrophobicContact CB-CD1 4.36Å; H595-I599 WeakPolarHBondContact O-CB 3.25Å; H595-I634 HydrophobicContact CB-CG2 3.47Å; H595-I634 VanDerWaalsContact CB-CG2 3.47Å; H595-L638 HydrophobicContact CB-CD1 4.08Å; H595-L638 HydrophobicContact CB-CG 4.15Å
596D86.8Confident87.3Confident80 Ų8044.3 Ų44.343%0.42822%0.219SC..Iπ-helixtrans-73.1-20.7-168.6-60.3-20000113.3K592K592-D596 WeakPolarHBondContact O-CB 3.32Å; K592-D596 PolarHBondContact O-N 3.41Å
597F87.7Confident87.2Confident21 Ų2144 Ų449%0.09222%0.217CC..Iπ-helixtrans-128.7-43.8-176-66.2-83000114.9P559 D560 Y563 I593 H595 E600 K601P559-F597 HydrophobicContact CB-CE2 3.57Å; P559-F597 HydrophobicContact CB-CZ 3.77Å; D560-F597 VanDerWaalsContact OD1-CE1 3.3Å; D560-F597 WeakPolarHBondContact OD1-CE1 3.03Å; Y563-F597 HydrophobicContact CD1-CD1 4.44Å; Y563-F597 HydrophobicContact CD2-CB 3.61Å; Y563-F597 HydrophobicContact CD2-CG 4.31Å; Y563-F597 HydrophobicContact CE2-CB 4.25Å; Y563-F597 HydrophobicContact CG-CB 3.86Å; Y563-F597 HydrophobicContact CG-CD1 4.23Å; Y563-F597 HydrophobicContact CG-CG 4.05Å; I593-F597 HydrophobicContact CD1-CD2 3.78Å; I593-F597 HydrophobicContact CD1-CE2 3.81Å; I593-F597 HydrophobicContact CG2-CD2 4.25Å; I593-F597 WeakPolarHBondContact O-CB 3.46Å; I593-F597 PolarHBondContact O-N 3.26Å; H595-F597 VanDerWaalsContact C-N 3.31Å; H595-F597 PolarHBondContact O-N 3.48Å; F597-E600 PolarHBondContact O-N 3.07Å; F597-K601 HydrophobicContact CD1-CD 4.33Å; F597-K601 VanDerWaalsContact O-CB 3.27Å; F597-K601 WeakPolarHBondContact O-CB 3.43Å; F597-K601 WeakPolarHBondContact O-CG 3.25Å; F597-K601 PolarHBondContact O-N 2.86Å
598Y85.3Confident87.2Confident4 Ų445.7 Ų45.72%0.01623%0.225CC..Iπ-helixtrans-74.3-31.4-174.6-75.9-119.5000112.4Y563 L566 K567 I593 L594 E600 K601 E602 L606 I607 I610Y563-Y598 AromaticContact CD2-CD2 3.88Å; Y563-Y598 HydrophobicContact CD2-CD2 3.88Å; Y563-Y598 AromaticContact CD2-CE2 3.59Å; Y563-Y598 HydrophobicContact CD2-CE2 3.59Å; Y563-Y598 HydrophobicContact CE2-CD2 4.12Å; Y563-Y598 AromaticContact CE2-CE2 3.95Å; Y563-Y598 HydrophobicContact CE2-CE2 3.95Å; L566-Y598 HydrophobicContact CD2-CE2 4.04Å; K567-Y598 PolarHBondContact N-OH 3.39Å; I593-Y598 HydrophobicContact CG2-CD2 4.3Å; I593-Y598 HydrophobicContact CG2-CE2 4.07Å; I593-Y598 PolarHBondContact O-N 2.82Å; L594-Y598 HydrophobicContact CD2-CD1 3.9Å; L594-Y598 HydrophobicContact CD2-CD2 3.91Å; L594-Y598 HydrophobicContact CD2-CE1 4.23Å; L594-Y598 HydrophobicContact CD2-CE2 4.23Å; L594-Y598 HydrophobicContact CD2-CG 3.74Å; L594-Y598 WeakPolarHBondContact O-CB 3.45Å; L594-Y598 PolarHBondContact O-N 3.25Å; Y598-E600 PolarHBondContact O-N 3.46Å; Y598-K601 PolarHBondContact O-N 3.17Å; Y598-E602 HydrophobicContact CD1-CB 3.79Å; Y598-E602 HydrophobicContact CD1-CG 3.66Å; Y598-E602 HydrophobicContact CE1-CG 4.1Å; Y598-E602 HydrophobicContact CG-CB 4.25Å; Y598-E602 HydrophobicContact CG-CG 4.15Å; Y598-E602 PolarHBondContact O-N 3.23Å; Y598-L606 HydrophobicContact CD1-CD2 4.33Å; Y598-L606 HydrophobicContact CE1-CD2 3.99Å; Y598-L606 HydrophobicContact CE1-CG 4.43Å; Y598-I607 HydrophobicContact CD1-CG1 4.39Å; Y598-I610 HydrophobicContact CE1-CD1 3.9Å
599I86.5Confident87.1Confident40 Ų4048.7 Ų48.721%0.20524%0.238CC..Hα-helixtrans-57.2-37.3174.5-68.9-178.6000112L594 H595 I607 V637 L638L594-I599 PolarHBondContact O-N 3.03Å; H595-I599 HydrophobicContact CB-CD1 4.36Å; H595-I599 WeakPolarHBondContact O-CB 3.25Å; I599-I607 HydrophobicContact CG1-CD1 4.49Å; I599-V637 HydrophobicContact CD1-CG1 4.47Å; I599-L638 HydrophobicContact CD1-CD2 3.81Å; I599-L638 HydrophobicContact CD1-CG 4.22Å; I599-L638 HydrophobicContact CG1-CD2 3.83Å
600E82.3Confident87.1Confident161 Ų16146.8 Ų46.875%0.75223%0.229SC*.Hα-helixtrans-89.2-32.7-180-65-166.315600113.7F597 Y598F597-E600 PolarHBondContact O-N 3.07Å; Y598-E600 PolarHBondContact O-N 3.46Å
601K81.3Confident87.1Confident95 Ų9546.9 Ų46.941%0.41323%0.23SC..Hα-helixtrans-111.6-10.5-162.9-56.6178.8-173.6-177.50114.6D560 Y563 F597 Y598D560-K601 IonicContact OD1-NZ 2.95Å; Y563-K601 HydrophobicContact CE1-CD 4.12Å; F597-K601 HydrophobicContact CD1-CD 4.33Å; F597-K601 VanDerWaalsContact O-CB 3.27Å; F597-K601 WeakPolarHBondContact O-CB 3.43Å; F597-K601 WeakPolarHBondContact O-CG 3.25Å; F597-K601 PolarHBondContact O-N 2.86Å; Y598-K601 PolarHBondContact O-N 3.17Å
602E85.8Confident87Confident47 Ų4750.3 Ų50.322%0.2225%0.246CC..SBendtrans-134.9169.1-171-72.1-61.9165.600114.3K567 Y598 L606K567-E602 WeakPolarHBondContact CE-OE1 3.48Å; K567-E602 IonicContact NZ-OE1 3.66Å; K567-E602 PolarHBondContact NZ-OE1 2.89Å; Y598-E602 HydrophobicContact CD1-CB 3.79Å; Y598-E602 HydrophobicContact CD1-CG 3.66Å; Y598-E602 HydrophobicContact CE1-CG 4.1Å; Y598-E602 HydrophobicContact CG-CB 4.25Å; Y598-E602 HydrophobicContact CG-CG 4.15Å; Y598-E602 PolarHBondContact O-N 3.23Å; E602-L606 HydrophobicContact CB-CD2 4.47Å; E602-L606 HydrophobicContact CG-CD2 4.35Å
603K85Confident87Confident161 Ų16150.2 Ų50.270%0.724%0.243SC*.  trans-78.4137.6179.1-66.4-176.7-179.4-179.80111.5A605 L606K603-A605 PolarHBondContact O-N 3.18Å; K603-L606 WeakPolarHBondContact O-CB 3.33Å; K603-L606 PolarHBondContact O-N 3.13Å
604P84.6Confident86.9Confident35 Ų3549.9 Ų49.923%0.22724%0.242CC..Hα-helixtrans-51-34.6175.6-30.435.6000114.7L606 I607 F608 L642 S645 L647P604-L606 VanDerWaalsContact C-N 3.3Å; P604-L606 PolarHBondContact O-N 3.42Å; P604-I607 PolarHBondContact O-N 2.91Å; P604-F608 PolarHBondContact O-N 3.37Å; P604-L642 HydrophobicContact CB-CD2 4.01Å; P604-L642 VanDerWaalsContact O-CD2 3.24Å; P604-L642 WeakPolarHBondContact O-CD2 3.45Å; P604-S645 VanDerWaalsContact CB-OG 3.31Å; P604-S645 WeakPolarHBondContact CB-OG 3.31Å; P604-S645 VanDerWaalsContact CG-OG 3.24Å; P604-S645 WeakPolarHBondContact CG-OG 3.45Å; P604-L647 HydrophobicContact CB-CD1 4.06Å
605A84.4Confident86.8Confident51 Ų5151.2 Ų51.242%0.42125%0.251SS..Hα-helixtrans-61.2-34177.500000113.7K603 E609 L647K603-A605 PolarHBondContact O-N 3.18Å; A605-E609 PolarHBondContact O-N 2.96Å; A605-L647 HydrophobicContact CB-CD2 4.25Å
606L86.8Confident86.8Confident49 Ų4953.4 Ų53.426%0.25726%0.262SS..Hα-helixtrans-72.8-39.2177.7179.161.2000111.2P571 Y598 E602 K603 P604 F608 E609 I610P571-L606 HydrophobicContact CG-CD1 3.72Å; Y598-L606 HydrophobicContact CD1-CD2 4.33Å; Y598-L606 HydrophobicContact CE1-CD2 3.99Å; Y598-L606 HydrophobicContact CE1-CG 4.43Å; E602-L606 HydrophobicContact CB-CD2 4.47Å; E602-L606 HydrophobicContact CG-CD2 4.35Å; K603-L606 WeakPolarHBondContact O-CB 3.33Å; K603-L606 PolarHBondContact O-N 3.13Å; P604-L606 VanDerWaalsContact C-N 3.3Å; P604-L606 PolarHBondContact O-N 3.42Å; L606-F608 VanDerWaalsContact C-N 3.34Å; L606-E609 PolarHBondContact O-N 2.87Å; L606-I610 HydrophobicContact CD1-CD1 4.17Å; L606-I610 HydrophobicContact CD1-CG1 4.44Å; L606-I610 HydrophobicContact CG-CD1 4.07Å; L606-I610 VanDerWaalsContact O-CG1 3.31Å; L606-I610 WeakPolarHBondContact O-CG1 3.46Å; L606-I610 PolarHBondContact O-N 3.29Å
607I86.9Confident86.8Confident0 Ų050.2 Ų50.20%025%0.245CC..Hα-helixtrans-61.6-46.1174.1-56.7175.6000109.7Y598 I599 P604 I610 L611 L638 L642Y598-I607 HydrophobicContact CD1-CG1 4.39Å; I599-I607 HydrophobicContact CG1-CD1 4.49Å; P604-I607 PolarHBondContact O-N 2.91Å; I607-I610 PolarHBondContact O-N 3.07Å; I607-L611 HydrophobicContact CG2-CD1 4Å; I607-L611 HydrophobicContact CG2-CG 4.48Å; I607-L611 WeakPolarHBondContact O-CG 3.49Å; I607-L611 PolarHBondContact O-N 2.63Å; I607-L638 HydrophobicContact CG2-CD2 3.91Å; I607-L642 HydrophobicContact CB-CD2 4.22Å; I607-L642 HydrophobicContact CG2-CD1 4.5Å; I607-L642 HydrophobicContact CG2-CD2 4.33Å
608F88.5Confident86.4Confident36 Ų3659.5 Ų59.516%0.15828%0.279CS..Hα-helixtrans-58.4-47.2175.6178.5-93.9000112.2P604 L606 I610 L611 Q612 L642 L647 I652 L655P604-F608 PolarHBondContact O-N 3.37Å; L606-F608 VanDerWaalsContact C-N 3.34Å; F608-I610 PolarHBondContact O-N 3.09Å; F608-L611 PolarHBondContact O-N 2.78Å; F608-Q612 WeakPolarHBondContact O-CB 3.33Å; F608-Q612 PolarHBondContact O-N 3.43Å; F608-L642 HydrophobicContact CB-CD2 4.23Å; F608-L647 HydrophobicContact CB-CD1 4.38Å; F608-I652 HydrophobicContact CD2-CG1 3.86Å; F608-I652 HydrophobicContact CE2-CG1 3.76Å; F608-L655 HydrophobicContact CD2-CD2 4Å; F608-L655 HydrophobicContact CE2-CD2 3.77Å; F608-L655 HydrophobicContact CZ-CD2 4.46Å
609E88.4Confident86.4Confident71 Ų7165.6 Ų65.633%0.33230%0.302SS..Hα-helixtrans-63.2-42.1179.3-166.6-177-18000112.2P571 A605 L606 Q612 R613P571-E609 HydrophobicContact CB-CB 4.4Å; P571-E609 HydrophobicContact CB-CG 3.76Å; P571-E609 HydrophobicContact CG-CG 4.31Å; A605-E609 PolarHBondContact O-N 2.96Å; L606-E609 PolarHBondContact O-N 2.87Å; E609-Q612 PolarHBondContact O-N 3.01Å; E609-R613 HydrophobicContact CG-CG 4.29Å; E609-R613 WeakPolarHBondContact O-CB 3.46Å; E609-R613 WeakPolarHBondContact O-CG 3.37Å; E609-R613 PolarHBondContact O-N 3.49Å
610I89.5Confident86.5Confident3 Ų363.8 Ų63.82%0.01529%0.293CS..Hα-helixtrans-62.8-45.3177.3-66.3165.9000110.6P571 Y574 L594 Y598 L606 I607 F608 Q612 R613 L614P571-I610 HydrophobicContact CB-CG1 4.4Å; P571-I610 HydrophobicContact CG-CG1 3.97Å; Y574-I610 HydrophobicContact CE1-CG2 3.91Å; L594-I610 HydrophobicContact CD1-CG2 4.03Å; L594-I610 HydrophobicContact CD2-CD1 4.07Å; L594-I610 HydrophobicContact CD2-CG2 4.36Å; Y598-I610 HydrophobicContact CE1-CD1 3.9Å; L606-I610 HydrophobicContact CD1-CD1 4.17Å; L606-I610 HydrophobicContact CD1-CG1 4.44Å; L606-I610 HydrophobicContact CG-CD1 4.07Å; L606-I610 VanDerWaalsContact O-CG1 3.31Å; L606-I610 WeakPolarHBondContact O-CG1 3.46Å; L606-I610 PolarHBondContact O-N 3.29Å; I607-I610 PolarHBondContact O-N 3.07Å; F608-I610 PolarHBondContact O-N 3.09Å; I610-Q612 VanDerWaalsContact C-N 3.35Å; I610-Q612 PolarHBondContact O-N 3.04Å; I610-R613 PolarHBondContact O-N 3.29Å; I610-L614 HydrophobicContact CG2-CD1 4.08Å; I610-L614 WeakPolarHBondContact O-CG 3.44Å; I610-L614 PolarHBondContact O-N 3.45Å
611L89.4Confident86.7Confident1 Ų160.2 Ų60.21%0.00528%0.279CS..Hα-helixtrans-65-37.4177.6-68173.6000112.2I591 L594 I607 F608 S615 F639 L642 L655 Y659I591-L611 HydrophobicContact CD1-CD2 3.5Å; L594-L611 HydrophobicContact CD1-CD2 3.9Å; L594-L611 HydrophobicContact CD1-CG 4.32Å; I607-L611 HydrophobicContact CG2-CD1 4Å; I607-L611 HydrophobicContact CG2-CG 4.48Å; I607-L611 WeakPolarHBondContact O-CG 3.49Å; I607-L611 PolarHBondContact O-N 2.63Å; F608-L611 PolarHBondContact O-N 2.78Å; L611-S615 PolarHBondContact O-N 3.26Å; L611-S615 VanDerWaalsContact O-N 3.11Å; L611-F639 HydrophobicContact CD1-CZ 4.34Å; L611-L642 HydrophobicContact CD1-CD1 3.93Å; L611-L655 HydrophobicContact CB-CD2 4.01Å; L611-Y659 WeakPolarHBondContact CA-OH 3.35Å; L611-Y659 HydrophobicContact CB-CE2 4.36Å; L611-Y659 HydrophobicContact CD2-CE1 3.92Å; L611-Y659 WeakPolarHBondContact CD2-OH 3.32Å; L611-Y659 PolarHBondContact O-OH 3.19Å
612Q89.6Confident86.9Confident73 Ų7360.1 Ų60.134%0.34128%0.281SS..Hα-helixtrans-62.2-49.7173.1-173.41788.400110.9F608 E609 I610 L614 S615 E616 L655F608-Q612 WeakPolarHBondContact O-CB 3.33Å; F608-Q612 PolarHBondContact O-N 3.43Å; E609-Q612 PolarHBondContact O-N 3.01Å; I610-Q612 VanDerWaalsContact C-N 3.35Å; I610-Q612 PolarHBondContact O-N 3.04Å; Q612-L614 VanDerWaalsContact C-N 3.29Å; Q612-L614 PolarHBondContact O-N 2.8Å; Q612-S615 WeakPolarHBondContact O-CB 3.35Å; Q612-S615 PolarHBondContact O-N 3.01Å; Q612-S615 PolarHBondContact O-OG 3.08Å; Q612-E616 PolarHBondContact O-N 3.09Å; Q612-L655 HydrophobicContact CB-CD2 4.44Å
613R88.7Confident86.9Confident66 Ų6657.9 Ų57.925%0.24927%0.271CS..Hα-helixtrans-65.1-28.4-179.9-67.9-76.8170-125.1-10.2113.6P571 E609 I610 E616P571-R613 HydrophobicContact CB-CG 4.2Å; P571-R613 WeakPolarHBondContact O-CG 3.23Å; E609-R613 HydrophobicContact CG-CG 4.29Å; E609-R613 WeakPolarHBondContact O-CB 3.46Å; E609-R613 WeakPolarHBondContact O-CG 3.37Å; E609-R613 PolarHBondContact O-N 3.49Å; I610-R613 PolarHBondContact O-N 3.29Å; R613-E616 WeakPolarHBondContact CD-OE2 3.19Å; R613-E616 IonicContact CZ-OE1 2.9Å; R613-E616 IonicContact CZ-OE2 3.44Å; R613-E616 IonicContact NH1-OE1 3.81Å; R613-E616 PolarHBondContact NH1-OE1 2.96Å; R613-E616 IonicContact NH1-OE2 2.81Å; R613-E616 PolarHBondContact NH1-OE2 3.27Å
614L88.4Confident87.2Confident0 Ų050.9 Ų50.90%024%0.241CC..Hα-helixtrans-71.9-35.8170.1-73.8169.7000112.4Y574 F578 L582 F587 I590 I610 Q612 E616 L617 F620Y574-L614 HydrophobicContact CD1-CD2 3.93Å; Y574-L614 HydrophobicContact CD1-CG 4.27Å; F578-L614 HydrophobicContact CE2-CD2 4.22Å; L582-L614 HydrophobicContact CD1-CD2 4.48Å; F587-L614 HydrophobicContact CD2-CD1 4.49Å; F587-L614 HydrophobicContact CE2-CD1 4.43Å; I590-L614 HydrophobicContact CG2-CD1 4.01Å; I610-L614 HydrophobicContact CG2-CD1 4.08Å; I610-L614 WeakPolarHBondContact O-CG 3.44Å; I610-L614 PolarHBondContact O-N 3.45Å; Q612-L614 VanDerWaalsContact C-N 3.29Å; Q612-L614 PolarHBondContact O-N 2.8Å; L614-E616 VanDerWaalsContact C-N 3.27Å; L614-E616 PolarHBondContact O-N 3.38Å; L614-L617 HydrophobicContact CD2-CD1 3.99Å; L614-L617 WeakPolarHBondContact O-CB 3.34Å; L614-L617 WeakPolarHBondContact O-CG 3.22Å; L614-L617 PolarHBondContact O-N 2.99Å; L614-F620 VanDerWaalsContact O-CD2 3.3Å; L614-F620 WeakPolarHBondContact O-CD2 3.37Å
615S88.1Confident87.2Confident29 Ų2955.3 Ų55.320%0.20326%0.26CS..Hα-helixtrans-69.5-20.8178.677.10000114.2L611 Q612 L617 L655L611-S615 PolarHBondContact O-N 3.26Å; L611-S615 VanDerWaalsContact O-N 3.11Å; Q612-S615 WeakPolarHBondContact O-CB 3.35Å; Q612-S615 PolarHBondContact O-N 3.01Å; Q612-S615 PolarHBondContact O-OG 3.08Å; S615-L617 PolarHBondContact O-N 3.2Å; S615-L655 WeakPolarHBondContact OG-CD1 3.45Å
616E88Confident87.4Confident98 Ų9859.4 Ų59.446%0.45827%0.269SS..THydrogen-bonded Turntrans-74.5-2.5175.9-67.3174.2163.100113.5Q612 R613 L614Q612-E616 PolarHBondContact O-N 3.09Å; R613-E616 WeakPolarHBondContact CD-OE2 3.19Å; R613-E616 IonicContact CZ-OE1 2.9Å; R613-E616 IonicContact CZ-OE2 3.44Å; R613-E616 IonicContact NH1-OE1 3.81Å; R613-E616 PolarHBondContact NH1-OE1 2.96Å; R613-E616 IonicContact NH1-OE2 2.81Å; R613-E616 PolarHBondContact NH1-OE2 3.27Å; L614-E616 VanDerWaalsContact C-N 3.27Å; L614-E616 PolarHBondContact O-N 3.38Å
617L86.6Confident87.4Confident14 Ų1457.3 Ų57.37%0.07326%0.258CS..SBendtrans-86.1135.7-173.2-63.5175.6000113.6F578 L582 L614 S615 R619 F620F578-L617 HydrophobicContact CB-CD1 3.92Å; F578-L617 HydrophobicContact CB-CD2 3.87Å; F578-L617 HydrophobicContact CD2-CD1 3.76Å; F578-L617 HydrophobicContact CG-CD1 4.04Å; L582-L617 HydrophobicContact CB-CD1 4.28Å; L582-L617 HydrophobicContact CD1-CD1 4.01Å; L582-L617 HydrophobicContact CD2-CD1 4.04Å; L582-L617 HydrophobicContact CG-CD1 4.34Å; L614-L617 HydrophobicContact CD2-CD1 3.99Å; L614-L617 WeakPolarHBondContact O-CB 3.34Å; L614-L617 WeakPolarHBondContact O-CG 3.22Å; L614-L617 PolarHBondContact O-N 2.99Å; S615-L617 PolarHBondContact O-N 3.2Å; L617-R619 PolarHBondContact O-N 3.19Å; L617-F620 HydrophobicContact CB-CB 4.4Å; L617-F620 WeakPolarHBondContact O-CB 3.44Å; L617-F620 PolarHBondContact O-N 3.22Å
618R80.6Confident87.5Confident215 Ų21559.7 Ų59.781%0.81128%0.275SS*.THydrogen-bonded Turntrans-59-9.3-175.6-64-173.1-179.7-147.90.2117.3
619R84Confident87.4Confident133 Ų13360.2 Ų60.250%0.50229%0.29SS..THydrogen-bonded Turntrans-125.815.1176-66.6-165.6-176.9-160.6-5.2112.7K580 N581 L617 D621 M622 A623K580-R619 PolarHBondContact O-NE 3.33Å; N581-R619 VanDerWaalsContact OD1-CZ 3.26Å; N581-R619 PolarHBondContact OD1-NE 3.46Å; L617-R619 PolarHBondContact O-N 3.19Å; R619-D621 PolarHBondContact O-N 3.49Å; R619-M622 WeakPolarHBondContact O-CB 3.42Å; R619-M622 PolarHBondContact O-N 2.9Å; R619-A623 PolarHBondContact O-N 2.91Å
620F88.9Confident87.4Confident2 Ų261.1 Ų61.11%0.00930%0.302CS..Hα-helixtrans-55.7-48.2179.8173.9-101.5000112.1F587 L614 L617 M622 A623 V624 R658 Y659F587-F620 HydrophobicContact CE2-CD2 4.2Å; F587-F620 AromaticContact CE2-CE2 3.84Å; F587-F620 HydrophobicContact CE2-CE2 3.84Å; F587-F620 HydrophobicContact CZ-CD2 4.43Å; F587-F620 AromaticContact CZ-CE2 3.84Å; F587-F620 HydrophobicContact CZ-CE2 3.84Å; L614-F620 VanDerWaalsContact O-CD2 3.3Å; L614-F620 WeakPolarHBondContact O-CD2 3.37Å; L617-F620 HydrophobicContact CB-CB 4.4Å; L617-F620 WeakPolarHBondContact O-CB 3.44Å; L617-F620 PolarHBondContact O-N 3.22Å; F620-M622 PolarHBondContact O-N 3.35Å; F620-A623 PolarHBondContact O-N 3.09Å; F620-V624 HydrophobicContact CD1-CG2 4.14Å; F620-V624 HydrophobicContact CD2-CG2 4.33Å; F620-V624 HydrophobicContact CE1-CG2 3.54Å; F620-V624 HydrophobicContact CE2-CG2 3.77Å; F620-V624 HydrophobicContact CG-CG2 4.49Å; F620-V624 HydrophobicContact CZ-CG2 3.32Å; F620-V624 PolarHBondContact O-N 3.47Å; F620-R658 HydrophobicContact CE1-CB 4.07Å; F620-R658 WeakPolarHBondContact CE1-O 3.3Å; F620-Y659 HydrophobicContact CE1-CD2 4.43Å; F620-Y659 HydrophobicContact CE1-CE2 4.48Å; F620-Y659 HydrophobicContact CE2-CD1 4.21Å; F620-Y659 HydrophobicContact CE2-CD2 4.27Å; F620-Y659 AromaticContact CE2-CE1 3.69Å; F620-Y659 HydrophobicContact CE2-CE1 3.69Å; F620-Y659 AromaticContact CE2-CE2 3.77Å; F620-Y659 HydrophobicContact CE2-CE2 3.77Å; F620-Y659 HydrophobicContact CE2-CG 4.48Å; F620-Y659 AromaticContact CE2-CZ 3.43Å; F620-Y659 VanDerWaalsContact CE2-CZ 3.43Å; F620-Y659 AromaticContact CZ-CD1 3.93Å; F620-Y659 HydrophobicContact CZ-CD1 3.93Å; F620-Y659 AromaticContact CZ-CD2 3.52Å; F620-Y659 HydrophobicContact CZ-CD2 3.52Å; F620-Y659 AromaticContact CZ-CE1 3.84Å; F620-Y659 HydrophobicContact CZ-CE1 3.84Å; F620-Y659 AromaticContact CZ-CE2 3.42Å; F620-Y659 HydrophobicContact CZ-CE2 3.42Å; F620-Y659 VanDerWaalsContact CZ-CE2 3.42Å; F620-Y659 AromaticContact CZ-CG 3.79Å; F620-Y659 HydrophobicContact CZ-CG 3.79Å; F620-Y659 AromaticContact CZ-CZ 3.57Å
621D86.8Confident87.4Confident86 Ų8662 Ų6246%0.4631%0.306SS..Hα-helixtrans-60.4-31.7-179.2-47.6-62.6000112.5R619 M625R619-D621 PolarHBondContact O-N 3.49Å; D621-M625 WeakPolarHBondContact O-CG 3.44Å; D621-M625 PolarHBondContact O-N 3.04Å
622M85.6Confident87.4Confident92 Ų9266.6 Ų66.645%0.45332%0.324SS..Hα-helixtrans-68.8-45.4173.3-64.3-74.395.500111.5R619 F620 V624 M625 F626R619-M622 WeakPolarHBondContact O-CB 3.42Å; R619-M622 PolarHBondContact O-N 2.9Å; F620-M622 PolarHBondContact O-N 3.35Å; M622-V624 VanDerWaalsContact C-N 3.3Å; M622-V624 PolarHBondContact O-N 3.19Å; M622-M625 HydrophobicContact CE-SD 3.53Å; M622-M625 VanDerWaalsContact CE-SD 3.53Å; M622-M625 PolarHBondContact O-N 2.63Å; M622-F626 WeakPolarHBondContact O-CD2 3.18Å; M622-F626 PolarHBondContact O-N 3.26Å
623A87.1Confident87.3Confident1 Ų170.5 Ų70.51%0.00834%0.339CS..Hα-helixtrans-62.2-38.7176.800000111.7L582 F587 R619 F620 F626 M627L582-A623 HydrophobicContact CD2-CB 3.87Å; L582-A623 HydrophobicContact CG-CB 4.39Å; F587-A623 HydrophobicContact CB-CB 4.19Å; F587-A623 HydrophobicContact CD1-CB 3.7Å; F587-A623 HydrophobicContact CE1-CB 4.14Å; F587-A623 HydrophobicContact CG-CB 3.92Å; R619-A623 PolarHBondContact O-N 2.91Å; F620-A623 PolarHBondContact O-N 3.09Å; A623-F626 PolarHBondContact O-N 2.92Å; A623-M627 PolarHBondContact O-N 3.09Å
624V89.8Confident87.4Confident13 Ų1369.1 Ų69.18%0.07934%0.337CS..Hα-helixtrans-61.6-44.9171.71690000111.9F587 F620 M622 F626 M627 R632F587-V624 HydrophobicContact CZ-CG2 4.42Å; F620-V624 HydrophobicContact CD1-CG2 4.14Å; F620-V624 HydrophobicContact CD2-CG2 4.33Å; F620-V624 HydrophobicContact CE1-CG2 3.54Å; F620-V624 HydrophobicContact CE2-CG2 3.77Å; F620-V624 HydrophobicContact CG-CG2 4.49Å; F620-V624 HydrophobicContact CZ-CG2 3.32Å; F620-V624 PolarHBondContact O-N 3.47Å; M622-V624 VanDerWaalsContact C-N 3.3Å; M622-V624 PolarHBondContact O-N 3.19Å; V624-F626 VanDerWaalsContact C-N 3.29Å; V624-F626 PolarHBondContact O-N 2.86Å; V624-M627 HydrophobicContact CB-CE 4.29Å; V624-M627 HydrophobicContact CG1-CE 3.98Å; V624-M627 HydrophobicContact CG2-CE 4.28Å; V624-M627 WeakPolarHBondContact O-CB 3.47Å; V624-M627 PolarHBondContact O-N 3.14Å; V624-R632 PolarHBondContact O-NH2 2.8Å
625M85.4Confident87.4Confident129 Ų12969.2 Ų69.264%0.63534%0.337SS*.Hα-helixtrans-60.1-38.1175.8-78-178.866.300112.5D621 M622 M627 R632D621-M625 WeakPolarHBondContact O-CG 3.44Å; D621-M625 PolarHBondContact O-N 3.04Å; M622-M625 HydrophobicContact CE-SD 3.53Å; M622-M625 VanDerWaalsContact CE-SD 3.53Å; M622-M625 PolarHBondContact O-N 2.63Å; M625-M627 VanDerWaalsContact C-N 3.34Å; M625-M627 PolarHBondContact O-N 2.77Å; M625-R632 PolarHBondContact O-NH2 3.4Å
626F87.6Confident87.4Confident137 Ų13771.1 Ų71.160%0.60135%0.345SS*.THydrogen-bonded Turntrans-80.7-2.6178.7-69.6-61.6000115P584 M622 A623 V624 S628P584-F626 HydrophobicContact CB-CB 3.98Å; P584-F626 HydrophobicContact CG-CB 4.22Å; P584-F626 HydrophobicContact CG-CD2 3.85Å; P584-F626 HydrophobicContact CG-CG 4.34Å; M622-F626 WeakPolarHBondContact O-CD2 3.18Å; M622-F626 PolarHBondContact O-N 3.26Å; A623-F626 PolarHBondContact O-N 2.92Å; V624-F626 VanDerWaalsContact C-N 3.29Å; V624-F626 PolarHBondContact O-N 2.86Å; F626-S628 PolarHBondContact O-N 3.09Å
627M88.1Confident87.5Confident5 Ų570 Ų703%0.02534%0.344CS..  trans-63.6125.7172.5-71.5-162.9-70.500111.7F587 A623 V624 M625 E631 R632 Y659F587-M627 HydrophobicContact CE1-CG 3.95Å; F587-M627 HydrophobicContact CE1-SD 3.92Å; A623-M627 PolarHBondContact O-N 3.09Å; V624-M627 HydrophobicContact CB-CE 4.29Å; V624-M627 HydrophobicContact CG1-CE 3.98Å; V624-M627 HydrophobicContact CG2-CE 4.28Å; V624-M627 WeakPolarHBondContact O-CB 3.47Å; V624-M627 PolarHBondContact O-N 3.14Å; M625-M627 VanDerWaalsContact C-N 3.34Å; M625-M627 PolarHBondContact O-N 2.77Å; M627-E631 HydrophobicContact CB-CB 4.33Å; M627-R632 HydrophobicContact CB-CG 3.87Å; M627-R632 HydrophobicContact CE-CG 4.24Å; M627-R632 PolarHBondContact O-NE 3.47Å; M627-R632 PolarHBondContact O-NH2 2.64Å; M627-Y659 WeakPolarHBondContact CE-O 3.19Å
628S88.1Confident87.6Confident50 Ų5069.4 Ų69.435%0.3534%0.341SS..  trans-73165.8174.870.50000112.7F626 E631 R632F626-S628 PolarHBondContact O-N 3.09Å; S628-E631 WeakPolarHBondContact CB-OE2 3.44Å; S628-E631 PolarHBondContact N-OE2 3.17Å; S628-E631 PolarHBondContact O-N 3.22Å; S628-E631 PolarHBondContact OG-OE2 3.29Å; S628-R632 WeakPolarHBondContact O-CG 3.21Å; S628-R632 PolarHBondContact O-N 3.05Å
629G87.3Confident87.9Confident47 Ų4759.2 Ų59.249%0.48530%0.303SS..Hα-helixtrans-53.1-43.8177.800000114.7K633G629-K633 WeakPolarHBondContact O-CG 3.43Å; G629-K633 PolarHBondContact O-N 3.17Å
630P88.1Confident88.1Confident90 Ų9055 Ų5558%0.58429%0.294SS*.Hα-helixtrans-61.5-42.5171.3-2736.3000114K633 I634P630-K633 WeakPolarHBondContact O-CB 3.32Å; P630-K633 PolarHBondContact O-N 3.05Å; P630-I634 WeakPolarHBondContact O-CG1 3.48Å; P630-I634 PolarHBondContact O-N 3.07Å; P630-I634 VanDerWaalsContact O-N 3.14Å
631E89.6Confident87.9Confident22 Ų2257.5 Ų57.510%0.10331%0.306CS..Hα-helixtrans-66.4-39.8-179.6-76.3147.116900112.1N588 K592 M627 S628 K633 I634 T635N588-E631 HydrophobicContact CB-CG 4.48Å; N588-E631 PolarHBondContact ND2-OE2 3.16Å; K592-E631 WeakPolarHBondContact CE-OE1 3.36Å; K592-E631 IonicContact NZ-OE1 3.85Å; K592-E631 PolarHBondContact NZ-OE1 2.9Å; M627-E631 HydrophobicContact CB-CB 4.33Å; S628-E631 WeakPolarHBondContact CB-OE2 3.44Å; S628-E631 PolarHBondContact N-OE2 3.17Å; S628-E631 PolarHBondContact O-N 3.22Å; S628-E631 PolarHBondContact OG-OE2 3.29Å; E631-K633 VanDerWaalsContact C-N 3.25Å; E631-K633 PolarHBondContact O-N 3.29Å; E631-I634 WeakPolarHBondContact O-CB 3.09Å; E631-I634 PolarHBondContact O-N 2.97Å; E631-I634 VanDerWaalsContact O-N 3.1Å; E631-T635 PolarHBondContact O-N 3.09Å; E631-T635 PolarHBondContact O-OG1 3.34Å; E631-T635 VanDerWaalsContact O-OG1 3.12Å
632R88.5Confident87.8Confident97 Ų9753.4 Ų53.437%0.36628%0.284SS..Hα-helixtrans-60.5-34172.8-65.1177.1-167.1-126.7-0.1112.5V624 M625 M627 S628 N636V624-R632 PolarHBondContact O-NH2 2.8Å; M625-R632 PolarHBondContact O-NH2 3.4Å; M627-R632 HydrophobicContact CB-CG 3.87Å; M627-R632 HydrophobicContact CE-CG 4.24Å; M627-R632 PolarHBondContact O-NE 3.47Å; M627-R632 PolarHBondContact O-NH2 2.64Å; S628-R632 WeakPolarHBondContact O-CG 3.21Å; S628-R632 PolarHBondContact O-N 3.05Å; R632-N636 WeakPolarHBondContact O-CB 3.39Å; R632-N636 VanDerWaalsContact O-CG 3.22Å; R632-N636 PolarHBondContact O-N 2.96Å
633K88.8Confident87.7Confident155 Ų15553.1 Ų53.167%0.67428%0.281SS*.Hα-helixtrans-66.7-42.3173.1-68.8175.2-179.1-1770111.8G629 P630 E631 N636 V637G629-K633 WeakPolarHBondContact O-CG 3.43Å; G629-K633 PolarHBondContact O-N 3.17Å; P630-K633 WeakPolarHBondContact O-CB 3.32Å; P630-K633 PolarHBondContact O-N 3.05Å; E631-K633 VanDerWaalsContact C-N 3.25Å; E631-K633 PolarHBondContact O-N 3.29Å; K633-N636 PolarHBondContact O-N 2.98Å; K633-V637 WeakPolarHBondContact O-CG2 3.19Å; K633-V637 PolarHBondContact O-N 3.48Å
634I90.4Very high87.5Confident37 Ų3761.6 Ų61.619%0.1932%0.318CS..Hα-helixtrans-61.6-47.4176.1-65.9171.5000110.5I591 K592 H595 P630 E631 N636 V637 L638I591-I634 HydrophobicContact CG2-CG2 4.05Å; K592-I634 HydrophobicContact CG-CD1 4.05Å; H595-I634 HydrophobicContact CB-CG2 3.47Å; H595-I634 VanDerWaalsContact CB-CG2 3.47Å; P630-I634 WeakPolarHBondContact O-CG1 3.48Å; P630-I634 PolarHBondContact O-N 3.07Å; P630-I634 VanDerWaalsContact O-N 3.14Å; E631-I634 WeakPolarHBondContact O-CB 3.09Å; E631-I634 PolarHBondContact O-N 2.97Å; E631-I634 VanDerWaalsContact O-N 3.1Å; I634-N636 VanDerWaalsContact C-N 3.33Å; I634-N636 PolarHBondContact O-N 2.91Å; I634-V637 PolarHBondContact O-N 2.6Å; I634-L638 PolarHBondContact O-N 3.5Å
635T88.7Confident86.7Confident2 Ų262.4 Ų62.41%0.01233%0.325CS..Hα-helixtrans-57.2-43.4173.9-58.90000111.9E631 L638 F639 Y659E631-T635 PolarHBondContact O-N 3.09Å; E631-T635 PolarHBondContact O-OG1 3.34Å; E631-T635 VanDerWaalsContact O-OG1 3.12Å; T635-L638 WeakPolarHBondContact O-CB 3.27Å; T635-L638 PolarHBondContact O-N 3.41Å; T635-F639 HydrophobicContact CG2-CD2 3.87Å; T635-F639 HydrophobicContact CG2-CE2 3.67Å; T635-F639 VanDerWaalsContact O-CD2 3.25Å; T635-F639 WeakPolarHBondContact O-CD2 3.47Å; T635-F639 PolarHBondContact O-N 2.88Å; T635-Y659 HydrophobicContact CG2-CD1 3.81Å; T635-Y659 HydrophobicContact CG2-CG 4.25Å
636N88.4Confident85.8Confident68 Ų6866.1 Ų66.136%0.36434%0.34SS..Hα-helixtrans-67.9-35.2177.6-73.8-6.2000113R632 K633 I634 F639 S640R632-N636 WeakPolarHBondContact O-CB 3.39Å; R632-N636 VanDerWaalsContact O-CG 3.22Å; R632-N636 PolarHBondContact O-N 2.96Å; K633-N636 PolarHBondContact O-N 2.98Å; I634-N636 VanDerWaalsContact C-N 3.33Å; I634-N636 PolarHBondContact O-N 2.91Å; N636-F639 PolarHBondContact O-N 3.27Å; N636-S640 WeakPolarHBondContact O-CB 3.2Å; N636-S640 PolarHBondContact O-N 3.4Å; N636-S640 PolarHBondContact O-OG 3.39Å
637V89.4Confident84.9Confident74 Ų7462.5 Ų62.545%0.44833%0.327SS..Hα-helixtrans-65-40.2172.9171.50000111.2I599 K633 I634 S640 H641I599-V637 HydrophobicContact CD1-CG1 4.47Å; K633-V637 WeakPolarHBondContact O-CG2 3.19Å; K633-V637 PolarHBondContact O-N 3.48Å; I634-V637 PolarHBondContact O-N 2.6Å; V637-S640 CarbonylContact O-C 3.57Å; V637-S640 PolarHBondContact O-N 2.9Å; V637-H641 PolarHBondContact O-N 3.48Å
638L88.3Confident84.1Confident2 Ų270.2 Ų70.21%0.0136%0.36CS..Hα-helixtrans-59-50.6172.4-83.4161.1000111.7I591 L594 H595 I599 I607 I634 T635 S640 H641 L642I591-L638 HydrophobicContact CG2-CD1 4.01Å; L594-L638 HydrophobicContact CB-CD1 4.12Å; L594-L638 HydrophobicContact CB-CD2 4.13Å; H595-L638 HydrophobicContact CB-CD1 4.08Å; H595-L638 HydrophobicContact CB-CG 4.15Å; I599-L638 HydrophobicContact CD1-CD2 3.81Å; I599-L638 HydrophobicContact CD1-CG 4.22Å; I599-L638 HydrophobicContact CG1-CD2 3.83Å; I607-L638 HydrophobicContact CG2-CD2 3.91Å; I634-L638 PolarHBondContact O-N 3.5Å; T635-L638 WeakPolarHBondContact O-CB 3.27Å; T635-L638 PolarHBondContact O-N 3.41Å; L638-S640 PolarHBondContact O-N 3.36Å; L638-H641 WeakPolarHBondContact O-CB 3.46Å; L638-H641 PolarHBondContact O-N 3.15Å; L638-H641 VanDerWaalsContact O-N 3.11Å; L638-L642 WeakPolarHBondContact O-CG 2.87Å; L638-L642 PolarHBondContact O-N 3.16Å
639F88.1Confident83.1Confident1 Ų171.6 Ų71.60%0.00437%0.37CS..Hα-helixtrans-61.6-41.7176.6-78.8-68.7000112.4L611 T635 N636 H641 L642 E643 I652 L655 K656 Y659L611-F639 HydrophobicContact CD1-CZ 4.34Å; T635-F639 HydrophobicContact CG2-CD2 3.87Å; T635-F639 HydrophobicContact CG2-CE2 3.67Å; T635-F639 VanDerWaalsContact O-CD2 3.25Å; T635-F639 WeakPolarHBondContact O-CD2 3.47Å; T635-F639 PolarHBondContact O-N 2.88Å; N636-F639 PolarHBondContact O-N 3.27Å; F639-H641 PolarHBondContact O-N 2.81Å; F639-L642 HydrophobicContact CD1-CD1 4.21Å; F639-L642 HydrophobicContact CE1-CD1 4.43Å; F639-L642 WeakPolarHBondContact O-CB 3.35Å; F639-L642 PolarHBondContact O-N 2.86Å; F639-L642 VanDerWaalsContact O-N 3.08Å; F639-E643 WeakPolarHBondContact O-CB 3.47Å; F639-E643 VanDerWaalsContact O-CG 3.23Å; F639-E643 WeakPolarHBondContact O-CG 3.36Å; F639-E643 PolarHBondContact O-N 2.88Å; F639-I652 HydrophobicContact CD1-CG2 4.07Å; F639-L655 HydrophobicContact CE1-CB 4.21Å; F639-L655 HydrophobicContact CE1-CD2 4.17Å; F639-L655 HydrophobicContact CE1-CG 4.02Å; F639-L655 HydrophobicContact CZ-CD2 4.47Å; F639-L655 HydrophobicContact CZ-CG 4.08Å; F639-K656 HydrophobicContact CB-CD 4.21Å; F639-K656 HydrophobicContact CB-CG 4.27Å; F639-K656 HydrophobicContact CD1-CB 3.9Å; F639-K656 HydrophobicContact CD1-CG 4.33Å; F639-K656 HydrophobicContact CD2-CB 4.43Å; F639-K656 HydrophobicContact CD2-CG 4.22Å; F639-K656 HydrophobicContact CE1-CB 4.11Å; F639-K656 HydrophobicContact CG-CB 4.08Å; F639-K656 HydrophobicContact CG-CD 4.44Å; F639-K656 HydrophobicContact CG-CG 4.01Å; F639-K656 HydrophobicContact CZ-CB 4.48Å; F639-Y659 HydrophobicContact CE2-CD1 4.2Å; F639-Y659 AromaticContact CE2-CD2 3.99Å; F639-Y659 HydrophobicContact CE2-CD2 3.99Å; F639-Y659 AromaticContact CE2-CG 3.68Å; F639-Y659 HydrophobicContact CE2-CG 3.68Å; F639-Y659 AromaticContact CZ-CD2 3.63Å; F639-Y659 HydrophobicContact CZ-CD2 3.63Å; F639-Y659 HydrophobicContact CZ-CE2 4.18Å; F639-Y659 AromaticContact CZ-CG 3.85Å; F639-Y659 HydrophobicContact CZ-CG 3.85Å
640S86.2Confident82.4Confident46 Ų4675.2 Ų75.232%0.32238%0.378SS..Hα-helixtrans-75.70.3175.8-67.50000115.5N636 V637 L638 E643 K644N636-S640 WeakPolarHBondContact O-CB 3.2Å; N636-S640 PolarHBondContact O-N 3.4Å; N636-S640 PolarHBondContact O-OG 3.39Å; V637-S640 CarbonylContact O-C 3.57Å; V637-S640 PolarHBondContact O-N 2.9Å; L638-S640 PolarHBondContact O-N 3.36Å; S640-E643 VanDerWaalsContact CA-OE2 3.27Å; S640-E643 WeakPolarHBondContact CA-OE2 3.32Å; S640-E643 PolarHBondContact OG-OE2 3.15Å; S640-K644 WeakPolarHBondContact O-CD 3.5Å; S640-K644 WeakPolarHBondContact O-CE 3.46Å; S640-K644 WeakPolarHBondContact O-CG 3.44Å
641H86.1Confident81.9Confident54 Ų5473.5 Ų73.525%0.2537%0.368CS..Hα-helixtrans-91.1-41161.2177.693.8000110.9V637 L638 F639 K644 S645V637-H641 PolarHBondContact O-N 3.48Å; L638-H641 WeakPolarHBondContact O-CB 3.46Å; L638-H641 PolarHBondContact O-N 3.15Å; L638-H641 VanDerWaalsContact O-N 3.11Å; F639-H641 PolarHBondContact O-N 2.81Å; H641-K644 PolarHBondContact O-N 2.65Å; H641-S645 PolarHBondContact O-OG 3.33Å; H641-S645 VanDerWaalsContact O-OG 3.08Å
642L84.6Confident81.6Confident0 Ų072.6 Ų72.60%036%0.364CS..Hα-helixtrans-62.8-42.2173.7-64.2174.7000112.2P604 I607 F608 L611 L638 F639 K644 S645 L647 I652P604-L642 HydrophobicContact CB-CD2 4.01Å; P604-L642 VanDerWaalsContact O-CD2 3.24Å; P604-L642 WeakPolarHBondContact O-CD2 3.45Å; I607-L642 HydrophobicContact CB-CD2 4.22Å; I607-L642 HydrophobicContact CG2-CD1 4.5Å; I607-L642 HydrophobicContact CG2-CD2 4.33Å; F608-L642 HydrophobicContact CB-CD2 4.23Å; L611-L642 HydrophobicContact CD1-CD1 3.93Å; L638-L642 WeakPolarHBondContact O-CG 2.87Å; L638-L642 PolarHBondContact O-N 3.16Å; F639-L642 HydrophobicContact CD1-CD1 4.21Å; F639-L642 HydrophobicContact CE1-CD1 4.43Å; F639-L642 WeakPolarHBondContact O-CB 3.35Å; F639-L642 PolarHBondContact O-N 2.86Å; F639-L642 VanDerWaalsContact O-N 3.08Å; L642-K644 PolarHBondContact O-N 2.99Å; L642-S645 WeakPolarHBondContact O-CB 3.34Å; L642-S645 PolarHBondContact O-N 2.96Å; L642-L647 HydrophobicContact CD2-CD1 4.46Å; L642-I652 HydrophobicContact CB-CD1 4.23Å; L642-I652 HydrophobicContact CB-CG2 4.25Å
643E83.3Confident81.3Confident85 Ų8572.8 Ų72.840%0.39737%0.369SS..THydrogen-bonded Turntrans-62.5-19.6176.1-70.7166.3159.200113.7F639 S640 I652 K656F639-E643 WeakPolarHBondContact O-CB 3.47Å; F639-E643 VanDerWaalsContact O-CG 3.23Å; F639-E643 WeakPolarHBondContact O-CG 3.36Å; F639-E643 PolarHBondContact O-N 2.88Å; S640-E643 VanDerWaalsContact CA-OE2 3.27Å; S640-E643 WeakPolarHBondContact CA-OE2 3.32Å; S640-E643 PolarHBondContact OG-OE2 3.15Å; E643-I652 HydrophobicContact CG-CG2 4.02Å; E643-K656 VanDerWaalsContact OE1-CD 3.28Å; E643-K656 WeakPolarHBondContact OE1-CD 3.45Å; E643-K656 WeakPolarHBondContact OE1-CE 3.41Å; E643-K656 IonicContact OE1-NZ 2.83Å; E643-K656 PolarHBondContact OE1-NZ 3.45Å; E643-K656 IonicContact OE2-NZ 3.99Å; E643-K656 PolarHBondContact OE2-NZ 2.79Å
644K81.8Confident81Confident179 Ų17971.6 Ų71.678%0.77837%0.366SS*.THydrogen-bonded Turntrans-93.6-1.9175.7-67.5173.4-171.5165.10113.2S640 H641 L642S640-K644 WeakPolarHBondContact O-CD 3.5Å; S640-K644 WeakPolarHBondContact O-CE 3.46Å; S640-K644 WeakPolarHBondContact O-CG 3.44Å; H641-K644 PolarHBondContact O-N 2.65Å; L642-K644 PolarHBondContact O-N 2.99Å
645S74.8Confident80.9Confident31 Ų3170.4 Ų70.422%0.21736%0.36CS..SBendtrans-98.8154.4179.5-56.40000110.3P604 H641 L642 L647P604-S645 VanDerWaalsContact CB-OG 3.31Å; P604-S645 WeakPolarHBondContact CB-OG 3.31Å; P604-S645 VanDerWaalsContact CG-OG 3.24Å; P604-S645 WeakPolarHBondContact CG-OG 3.45Å; H641-S645 PolarHBondContact O-OG 3.33Å; H641-S645 VanDerWaalsContact O-OG 3.08Å; L642-S645 WeakPolarHBondContact O-CB 3.34Å; L642-S645 PolarHBondContact O-N 2.96Å; S645-L647 PolarHBondContact O-N 3.32Å
646E65.4Low80.8Confident207 Ų20772.4 Ų72.497%0.96737%0.368SS*.SBendtrans-74.143.3-179.4-58.7-176.7155.300113.5
647L68.2Low80.7Confident60 Ų6075.4 Ų75.431%0.31438%0.378SS..SBendtrans-101.9161.6177.9-65.9176.4000110.1P604 A605 F608 L642 S645 S649 I652P604-L647 HydrophobicContact CB-CD1 4.06Å; A605-L647 HydrophobicContact CB-CD2 4.25Å; F608-L647 HydrophobicContact CB-CD1 4.38Å; L642-L647 HydrophobicContact CD2-CD1 4.46Å; S645-L647 PolarHBondContact O-N 3.32Å; L647-S649 PolarHBondContact O-N 3.14Å; L647-I652 HydrophobicContact CB-CD1 3.76Å
648K71.3Confident80.5Confident168 Ų16878.3 Ų78.373%0.7338%0.381SS*.  trans-65.3110.5-175.6-63.3-174.1-176.7-176.80111.1D650 S651 I652K648-D650 VanDerWaalsContact C-N 3.29Å; K648-D650 PolarHBondContact O-N 2.99Å; K648-S651 PolarHBondContact O-N 2.69Å; K648-I652 PolarHBondContact O-N 2.99Å
649S66.9Low80.4Confident79 Ų7978.4 Ų78.455%0.55238%0.382SS*.Hα-helixtrans-44.2-51.6178.339.70000113.2L647 S651 I652 E653L647-S649 PolarHBondContact O-N 3.14Å; S649-S651 VanDerWaalsContact C-N 3.33Å; S649-S651 PolarHBondContact O-N 2.76Å; S649-I652 WeakPolarHBondContact O-CA 3.29Å; S649-I652 WeakPolarHBondContact O-CB 3.44Å; S649-I652 PolarHBondContact O-N 3.32Å; S649-E653 PolarHBondContact O-N 2.98Å
650D72.8Confident79.8Confident122 Ų12280.6 Ų80.665%0.65240%0.404SS*.Hα-helixtrans-67.4-37.7-164.8-42.9-7.6000111.1K648 E653 E654K648-D650 VanDerWaalsContact C-N 3.29Å; K648-D650 PolarHBondContact O-N 2.99Å; D650-E653 PolarHBondContact O-N 2.81Å; D650-E654 PolarHBondContact O-N 3.15Å
651S79.1Confident78.4Confident55 Ų5582 Ų8239%0.38543%0.426SS..Hα-helixtrans-73.4-26.3175.5-52.60000112.8K648 S649 L655K648-S651 PolarHBondContact O-N 2.69Å; S649-S651 VanDerWaalsContact C-N 3.33Å; S649-S651 PolarHBondContact O-N 2.76Å; S651-L655 VanDerWaalsContact O-CB 3.31Å; S651-L655 WeakPolarHBondContact O-CB 3.44Å; S651-L655 PolarHBondContact O-N 3.38Å
652I81.9Confident78Confident3 Ų383.4 Ų83.42%0.01544%0.435CS..Hα-helixtrans-75.4-40.6172.9-64.2167.9000109.8F608 F639 L642 E643 L647 K648 S649 L655 K656F608-I652 HydrophobicContact CD2-CG1 3.86Å; F608-I652 HydrophobicContact CE2-CG1 3.76Å; F639-I652 HydrophobicContact CD1-CG2 4.07Å; L642-I652 HydrophobicContact CB-CD1 4.23Å; L642-I652 HydrophobicContact CB-CG2 4.25Å; E643-I652 HydrophobicContact CG-CG2 4.02Å; L647-I652 HydrophobicContact CB-CD1 3.76Å; K648-I652 PolarHBondContact O-N 2.99Å; S649-I652 WeakPolarHBondContact O-CA 3.29Å; S649-I652 WeakPolarHBondContact O-CB 3.44Å; S649-I652 PolarHBondContact O-N 3.32Å; I652-L655 PolarHBondContact O-N 2.87Å; I652-K656 VanDerWaalsContact O-CB 3.27Å; I652-K656 WeakPolarHBondContact O-CB 3.24Å; I652-K656 PolarHBondContact O-N 3.32Å
653E82.1Confident77.6Confident100 Ų10087.8 Ų87.847%0.46746%0.458SS..Hα-helixtrans-68.6-39.6179.3-158.4-169.2136.300112.3S649 D650 K656 K657S649-E653 PolarHBondContact O-N 2.98Å; D650-E653 PolarHBondContact O-N 2.81Å; E653-K656 PolarHBondContact O-N 3.31Å; E653-K657 WeakPolarHBondContact O-CG 3.29Å; E653-K657 PolarHBondContact O-N 2.93Å; E653-K657 VanDerWaalsContact O-N 3.1Å; E653-K657 VanDerWaalsContact OE1-CE 3.22Å; E653-K657 WeakPolarHBondContact OE1-CE 3.5Å; E653-K657 IonicContact OE1-NZ 2.74Å; E653-K657 PolarHBondContact OE1-NZ 3.29Å
654E84.2Confident77.3Confident131 Ų13187.9 Ų87.961%0.61246%0.461SS*.Hα-helixtrans-62.5-43.9172-172.1178.8-174.900111.5D650 K657 R658D650-E654 PolarHBondContact O-N 3.15Å; E654-K657 PolarHBondContact O-N 2.84Å; E654-R658 PolarHBondContact O-N 3.44Å
655L87.1Confident77Confident12 Ų1282.6 Ų82.66%0.06344%0.442CS..Hα-helixtrans-65.3-42.1177.4-169.462.9000111.5F608 L611 Q612 S615 F639 S651 I652 K657 R658 Y659F608-L655 HydrophobicContact CD2-CD2 4Å; F608-L655 HydrophobicContact CE2-CD2 3.77Å; F608-L655 HydrophobicContact CZ-CD2 4.46Å; L611-L655 HydrophobicContact CB-CD2 4.01Å; Q612-L655 HydrophobicContact CB-CD2 4.44Å; S615-L655 WeakPolarHBondContact OG-CD1 3.45Å; F639-L655 HydrophobicContact CE1-CB 4.21Å; F639-L655 HydrophobicContact CE1-CD2 4.17Å; F639-L655 HydrophobicContact CE1-CG 4.02Å; F639-L655 HydrophobicContact CZ-CD2 4.47Å; F639-L655 HydrophobicContact CZ-CG 4.08Å; S651-L655 VanDerWaalsContact O-CB 3.31Å; S651-L655 WeakPolarHBondContact O-CB 3.44Å; S651-L655 PolarHBondContact O-N 3.38Å; I652-L655 PolarHBondContact O-N 2.87Å; L655-K657 VanDerWaalsContact C-N 3.33Å; L655-K657 PolarHBondContact O-N 3.45Å; L655-R658 WeakPolarHBondContact O-CB 3.44Å; L655-R658 PolarHBondContact O-N 2.73Å; L655-Y659 HydrophobicContact CD1-CD2 4.27Å; L655-Y659 HydrophobicContact CD1-CE2 3.85Å; L655-Y659 HydrophobicContact CG-CD2 4.26Å; L655-Y659 HydrophobicContact CG-CE2 4.09Å; L655-Y659 WeakPolarHBondContact O-CD2 3.38Å; L655-Y659 PolarHBondContact O-N 2.91Å; L655-Y659 VanDerWaalsContact O-N 3.15Å
656K87Confident77.2Confident43 Ų4385.8 Ų85.819%0.18746%0.456CS..Hα-helixtrans-57.8-43.4176-175.4177.8-176.9177.90112.1F639 E643 I652 E653 R658 Y659 G660 G661F639-K656 HydrophobicContact CB-CD 4.21Å; F639-K656 HydrophobicContact CB-CG 4.27Å; F639-K656 HydrophobicContact CD1-CB 3.9Å; F639-K656 HydrophobicContact CD1-CG 4.33Å; F639-K656 HydrophobicContact CD2-CB 4.43Å; F639-K656 HydrophobicContact CD2-CG 4.22Å; F639-K656 HydrophobicContact CE1-CB 4.11Å; F639-K656 HydrophobicContact CG-CB 4.08Å; F639-K656 HydrophobicContact CG-CD 4.44Å; F639-K656 HydrophobicContact CG-CG 4.01Å; F639-K656 HydrophobicContact CZ-CB 4.48Å; E643-K656 VanDerWaalsContact OE1-CD 3.28Å; E643-K656 WeakPolarHBondContact OE1-CD 3.45Å; E643-K656 WeakPolarHBondContact OE1-CE 3.41Å; E643-K656 IonicContact OE1-NZ 2.83Å; E643-K656 PolarHBondContact OE1-NZ 3.45Å; E643-K656 IonicContact OE2-NZ 3.99Å; E643-K656 PolarHBondContact OE2-NZ 2.79Å; I652-K656 VanDerWaalsContact O-CB 3.27Å; I652-K656 WeakPolarHBondContact O-CB 3.24Å; I652-K656 PolarHBondContact O-N 3.32Å; E653-K656 PolarHBondContact O-N 3.31Å; K656-R658 VanDerWaalsContact C-N 3.32Å; K656-R658 PolarHBondContact O-N 3.42Å; K656-Y659 PolarHBondContact O-N 3.46Å; K656-Y659 VanDerWaalsContact O-N 3.12Å; K656-G660 PolarHBondContact O-N 3.28Å; K656-G661 PolarHBondContact O-N 3.15Å
657K86.2Confident78Confident131 Ų13177.7 Ų77.757%0.5742%0.422SS*.Hα-helixtrans-61.8-36.6174.5-71.7164.8-174.31660112.4E653 E654 L655 Y659 G660E653-K657 WeakPolarHBondContact O-CG 3.29Å; E653-K657 PolarHBondContact O-N 2.93Å; E653-K657 VanDerWaalsContact O-N 3.1Å; E653-K657 VanDerWaalsContact OE1-CE 3.22Å; E653-K657 WeakPolarHBondContact OE1-CE 3.5Å; E653-K657 IonicContact OE1-NZ 2.74Å; E653-K657 PolarHBondContact OE1-NZ 3.29Å; E654-K657 PolarHBondContact O-N 2.84Å; L655-K657 VanDerWaalsContact C-N 3.33Å; L655-K657 PolarHBondContact O-N 3.45Å; K657-Y659 VanDerWaalsContact C-N 3.33Å; K657-Y659 PolarHBondContact O-N 3.13Å; K657-G660 PolarHBondContact O-N 3.1Å
658R85.7Confident78.7Confident136 Ų13679 Ų7951%0.51343%0.43SS..Hα-helixtrans-63.3-35.9172.9-70.7-64.9-162.1143.74.4113F620 E654 L655 K656 G660F620-R658 HydrophobicContact CE1-CB 4.07Å; F620-R658 WeakPolarHBondContact CE1-O 3.3Å; E654-R658 PolarHBondContact O-N 3.44Å; L655-R658 WeakPolarHBondContact O-CB 3.44Å; L655-R658 PolarHBondContact O-N 2.73Å; K656-R658 VanDerWaalsContact C-N 3.32Å; K656-R658 PolarHBondContact O-N 3.42Å; R658-G660 PolarHBondContact O-N 3.48Å
659Y86.5Confident79.2Confident4 Ų472.2 Ų72.22%0.01641%0.407CS..THydrogen-bonded Turntrans-79.23.6176.8-81.2-103.7000113.8F587 I591 L611 F620 M627 T635 F639 L655 K656 K657F587-Y659 AromaticContact CE2-CE1 3.93Å; F587-Y659 HydrophobicContact CE2-CE1 3.93Å; F587-Y659 HydrophobicContact CZ-CD1 4.12Å; F587-Y659 AromaticContact CZ-CE1 3.61Å; F587-Y659 HydrophobicContact CZ-CE1 3.61Å; I591-Y659 HydrophobicContact CD1-CE1 4.03Å; L611-Y659 WeakPolarHBondContact CA-OH 3.35Å; L611-Y659 HydrophobicContact CB-CE2 4.36Å; L611-Y659 HydrophobicContact CD2-CE1 3.92Å; L611-Y659 WeakPolarHBondContact CD2-OH 3.32Å; L611-Y659 PolarHBondContact O-OH 3.19Å; F620-Y659 HydrophobicContact CE1-CD2 4.43Å; F620-Y659 HydrophobicContact CE1-CE2 4.48Å; F620-Y659 HydrophobicContact CE2-CD1 4.21Å; F620-Y659 HydrophobicContact CE2-CD2 4.27Å; F620-Y659 AromaticContact CE2-CE1 3.69Å; F620-Y659 HydrophobicContact CE2-CE1 3.69Å; F620-Y659 AromaticContact CE2-CE2 3.77Å; F620-Y659 HydrophobicContact CE2-CE2 3.77Å; F620-Y659 HydrophobicContact CE2-CG 4.48Å; F620-Y659 AromaticContact CE2-CZ 3.43Å; F620-Y659 VanDerWaalsContact CE2-CZ 3.43Å; F620-Y659 AromaticContact CZ-CD1 3.93Å; F620-Y659 HydrophobicContact CZ-CD1 3.93Å; F620-Y659 AromaticContact CZ-CD2 3.52Å; F620-Y659 HydrophobicContact CZ-CD2 3.52Å; F620-Y659 AromaticContact CZ-CE1 3.84Å; F620-Y659 HydrophobicContact CZ-CE1 3.84Å; F620-Y659 AromaticContact CZ-CE2 3.42Å; F620-Y659 HydrophobicContact CZ-CE2 3.42Å; F620-Y659 VanDerWaalsContact CZ-CE2 3.42Å; F620-Y659 AromaticContact CZ-CG 3.79Å; F620-Y659 HydrophobicContact CZ-CG 3.79Å; F620-Y659 AromaticContact CZ-CZ 3.57Å; M627-Y659 WeakPolarHBondContact CE-O 3.19Å; T635-Y659 HydrophobicContact CG2-CD1 3.81Å; T635-Y659 HydrophobicContact CG2-CG 4.25Å; F639-Y659 HydrophobicContact CE2-CD1 4.2Å; F639-Y659 AromaticContact CE2-CD2 3.99Å; F639-Y659 HydrophobicContact CE2-CD2 3.99Å; F639-Y659 AromaticContact CE2-CG 3.68Å; F639-Y659 HydrophobicContact CE2-CG 3.68Å; F639-Y659 AromaticContact CZ-CD2 3.63Å; F639-Y659 HydrophobicContact CZ-CD2 3.63Å; F639-Y659 HydrophobicContact CZ-CE2 4.18Å; F639-Y659 AromaticContact CZ-CG 3.85Å; F639-Y659 HydrophobicContact CZ-CG 3.85Å; L655-Y659 HydrophobicContact CD1-CD2 4.27Å; L655-Y659 HydrophobicContact CD1-CE2 3.85Å; L655-Y659 HydrophobicContact CG-CD2 4.26Å; L655-Y659 HydrophobicContact CG-CE2 4.09Å; L655-Y659 WeakPolarHBondContact O-CD2 3.38Å; L655-Y659 PolarHBondContact O-N 2.91Å; L655-Y659 VanDerWaalsContact O-N 3.15Å; K656-Y659 PolarHBondContact O-N 3.46Å; K656-Y659 VanDerWaalsContact O-N 3.12Å; K657-Y659 VanDerWaalsContact C-N 3.33Å; K657-Y659 PolarHBondContact O-N 3.13Å
660G74.1Confident80.3Confident46 Ų4671.6 Ų71.647%0.47440%0.395SS..THydrogen-bonded Turntrans75.832178.500000114.3K656 K657 R658K656-G660 PolarHBondContact O-N 3.28Å; K657-G660 PolarHBondContact O-N 3.1Å; R658-G660 PolarHBondContact O-N 3.48Å
661G56.3Low80.9Confident76 Ų7667 Ų6778%0.78437%0.371SS*.  trans-88.70170.900000114.7K656K656-G661 PolarHBondContact O-N 3.15Å

Retrieved 661 of 661 residues in 324 ms (Link to these results)

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