X2JFR0_DROME Loading...

Band 7 domain-containing protein

AlphaFold DB , UniProt , Accession X2JFR0, Species DROME (Drosophila melanogaster, Fruit fly), Gene CG7633, Length 302 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M59.8Low81.3Confident173 Ų17383.1 Ų83.185%0.85249%0.494SS*.  01170-70.9-68.8-175.700107.4E5 I6M1-E5 WeakPolarHBondContact CA-OE2 3.49Å; M1-E5 VanDerWaalsContact SD-OE2 3.4Å; M1-I6 HydrophobicContact CB-CD1 4.3Å; M1-I6 HydrophobicContact CB-CG1 4.2Å
2G80.4Confident81.5Confident35 Ų3576.8 Ų76.836%0.36146%0.458SS..  trans-74154.7175.500000111.4V4 E5 I6G2-V4 PolarHBondContact O-N 3.41Å; G2-V4 VanDerWaalsContact O-N 3.15Å; G2-E5 PolarHBondContact N-OE2 2.97Å; G2-E5 WeakPolarHBondContact O-CB 3.4Å; G2-E5 PolarHBondContact O-N 3.38Å; G2-I6 PolarHBondContact O-N 3.39Å; G2-I6 VanDerWaalsContact O-N 3.13Å
3C80.6Confident81.8Confident113 Ų11375.7 Ų75.776%0.76445%0.451SS*.Hα-helixtrans-55-33.4176.5-61.90000112.5I6 L7C3-I6 PolarHBondContact O-N 3.32Å; C3-L7 WeakPolarHBondContact O-CB 3.43Å; C3-L7 PolarHBondContact O-N 3.43Å
4V82Confident82.2Confident118 Ų11878.5 Ų78.572%0.71546%0.462SS*.Hα-helixtrans-66.9-40.1175.9-179.60000111.9G2 I6 L7 A8G2-V4 PolarHBondContact O-N 3.41Å; G2-V4 VanDerWaalsContact O-N 3.15Å; V4-I6 VanDerWaalsContact C-N 3.33Å; V4-L7 PolarHBondContact O-N 2.9Å; V4-A8 WeakPolarHBondContact O-CB 3.43Å; V4-A8 PolarHBondContact O-N 3.02Å
5E81Confident82.4Confident30 Ų3079.2 Ų79.214%0.1446%0.462CS..Hα-helixtrans-64.7-42177.3-60.8174.916600110.3M1 G2 T9 M42 R44M1-E5 WeakPolarHBondContact CA-OE2 3.49Å; M1-E5 VanDerWaalsContact SD-OE2 3.4Å; G2-E5 PolarHBondContact N-OE2 2.97Å; G2-E5 WeakPolarHBondContact O-CB 3.4Å; G2-E5 PolarHBondContact O-N 3.38Å; E5-T9 WeakPolarHBondContact O-CB 3.44Å; E5-T9 VanDerWaalsContact O-CG2 3.27Å; E5-T9 WeakPolarHBondContact O-CG2 3.47Å; E5-T9 PolarHBondContact O-N 2.97Å; E5-T9 PolarHBondContact O-OG1 3.43Å; E5-T9 VanDerWaalsContact O-OG1 3.07Å; E5-M42 VanDerWaalsContact CA-SD 3.5Å; E5-M42 HydrophobicContact CB-SD 3.54Å; E5-M42 VanDerWaalsContact CB-SD 3.54Å; E5-M42 HydrophobicContact CG-SD 3.65Å; E5-M42 WeakPolarHBondContact O-CE 3.49Å; E5-R44 IonicContact OE1-CZ 3.53Å; E5-R44 VanDerWaalsContact OE1-CZ 3.23Å; E5-R44 IonicContact OE1-NH1 3.22Å; E5-R44 PolarHBondContact OE1-NH1 3.16Å; E5-R44 IonicContact OE1-NH2 2.73Å; E5-R44 IonicContact OE2-NH1 2.69Å; E5-R44 PolarHBondContact OE2-NH1 3.41Å
6I83.1Confident82.6Confident88 Ų8876.8 Ų76.845%0.45145%0.445SS..Hα-helixtrans-64.8-47.9176.8-60.8170.4000110.1M1 G2 C3 V4 A8 T9 V10M1-I6 HydrophobicContact CB-CD1 4.3Å; M1-I6 HydrophobicContact CB-CG1 4.2Å; G2-I6 PolarHBondContact O-N 3.39Å; G2-I6 VanDerWaalsContact O-N 3.13Å; C3-I6 PolarHBondContact O-N 3.32Å; V4-I6 VanDerWaalsContact C-N 3.33Å; I6-A8 PolarHBondContact O-N 3.31Å; I6-T9 WeakPolarHBondContact CA-OG1 3.47Å; I6-T9 PolarHBondContact O-N 3.36Å; I6-T9 PolarHBondContact O-OG1 3.29Å; I6-V10 HydrophobicContact CG2-CG2 4.33Å; I6-V10 VanDerWaalsContact O-CG2 3.26Å; I6-V10 WeakPolarHBondContact O-CG2 3.41Å; I6-V10 PolarHBondContact O-N 2.94Å
7L85.9Confident82.8Confident122 Ų12278.2 Ų78.264%0.63946%0.455SS*.Hα-helixtrans-57.1-48.5177.8-169.291.8000111.8C3 V4 V10 V11C3-L7 WeakPolarHBondContact O-CB 3.43Å; C3-L7 PolarHBondContact O-N 3.43Å; V4-L7 PolarHBondContact O-N 2.9Å; L7-V10 PolarHBondContact O-N 3Å; L7-V11 VanDerWaalsContact O-CG2 3.29Å; L7-V11 WeakPolarHBondContact O-CG2 3.42Å; L7-V11 PolarHBondContact O-N 3Å
8A83.6Confident83.1Confident39 Ų3982 Ų8232%0.32247%0.472SS..Hα-helixtrans-68.9-35-178.500000112.8V4 I6 S12 M42V4-A8 WeakPolarHBondContact O-CB 3.43Å; V4-A8 PolarHBondContact O-N 3.02Å; I6-A8 PolarHBondContact O-N 3.31Å; A8-S12 WeakPolarHBondContact O-CB 3.43Å; A8-S12 PolarHBondContact O-N 3.35Å; A8-M42 HydrophobicContact CB-CE 3.39Å
9T83.8Confident83.2Confident38 Ų3881 Ų8123%0.23347%0.468CS..Hα-helixtrans-64.7-42.5170.955.70000112.1E5 I6 S12 V13 M42 V62E5-T9 WeakPolarHBondContact O-CB 3.44Å; E5-T9 VanDerWaalsContact O-CG2 3.27Å; E5-T9 WeakPolarHBondContact O-CG2 3.47Å; E5-T9 PolarHBondContact O-N 2.97Å; E5-T9 PolarHBondContact O-OG1 3.43Å; E5-T9 VanDerWaalsContact O-OG1 3.07Å; I6-T9 WeakPolarHBondContact CA-OG1 3.47Å; I6-T9 PolarHBondContact O-N 3.36Å; I6-T9 PolarHBondContact O-OG1 3.29Å; T9-S12 PolarHBondContact O-N 2.92Å; T9-V13 VanDerWaalsContact O-CG2 3.28Å; T9-V13 WeakPolarHBondContact O-CG2 3.43Å; T9-V13 PolarHBondContact O-N 3.02Å; T9-M42 HydrophobicContact CG2-CE 3.82Å; T9-V62 HydrophobicContact CG2-CG1 4.15Å
10V86.5Confident83.2Confident87 Ų8784.2 Ų84.253%0.52748%0.476SS..Hα-helixtrans-64.4-43.1177.91720000111.2I6 L7 V13 L14I6-V10 HydrophobicContact CG2-CG2 4.33Å; I6-V10 VanDerWaalsContact O-CG2 3.26Å; I6-V10 WeakPolarHBondContact O-CG2 3.41Å; I6-V10 PolarHBondContact O-N 2.94Å; L7-V10 PolarHBondContact O-N 3Å; V10-V13 PolarHBondContact O-N 3.13Å; V10-L14 WeakPolarHBondContact O-CB 3.46Å; V10-L14 PolarHBondContact O-N 3.1Å
11V87.6Confident83.3Confident71 Ų7183.8 Ų83.843%0.4348%0.477SS..Hα-helixtrans-63.7-44.3176.6171.30000111.4L7 V13 L14 I15L7-V11 VanDerWaalsContact O-CG2 3.29Å; L7-V11 WeakPolarHBondContact O-CG2 3.42Å; L7-V11 PolarHBondContact O-N 3Å; V11-V13 VanDerWaalsContact C-N 3.34Å; V11-V13 PolarHBondContact O-N 3.34Å; V11-L14 WeakPolarHBondContact O-CB 3.48Å; V11-L14 PolarHBondContact O-N 3.47Å; V11-I15 HydrophobicContact CG1-CD1 3.84Å; V11-I15 HydrophobicContact CG1-CG1 4.47Å; V11-I15 VanDerWaalsContact O-CG1 3.32Å; V11-I15 WeakPolarHBondContact O-CG1 3.47Å; V11-I15 PolarHBondContact O-N 3.48Å
12S84.1Confident84.5Confident8 Ų881.4 Ų81.46%0.05647%0.467CS..Hα-helixtrans-60-43.2175.9172.50000111.7A8 T9 I15 M16 P60A8-S12 WeakPolarHBondContact O-CB 3.43Å; A8-S12 PolarHBondContact O-N 3.35Å; T9-S12 PolarHBondContact O-N 2.92Å; S12-I15 PolarHBondContact O-N 3.49Å; S12-M16 WeakPolarHBondContact O-CB 2.82Å; S12-M16 PolarHBondContact O-N 3.34Å; S12-P60 PolarHBondContact OG-O 3.48Å
13V85.1Confident84.5Confident62 Ų6280.1 Ų80.138%0.37645%0.452SS..Hα-helixtrans-65.9-40.5175.9172.10000111.7T9 V10 V11 M16 V17 L59T9-V13 VanDerWaalsContact O-CG2 3.28Å; T9-V13 WeakPolarHBondContact O-CG2 3.43Å; T9-V13 PolarHBondContact O-N 3.02Å; V10-V13 PolarHBondContact O-N 3.13Å; V11-V13 VanDerWaalsContact C-N 3.34Å; V11-V13 PolarHBondContact O-N 3.34Å; V13-M16 HydrophobicContact CG1-CE 4.18Å; V13-M16 WeakPolarHBondContact O-CB 3.12Å; V13-M16 PolarHBondContact O-N 3.01Å; V13-V17 WeakPolarHBondContact O-CG2 3.32Å; V13-V17 PolarHBondContact O-N 3.38Å; V13-L59 HydrophobicContact CG2-CD2 4.09Å
14L87.9Confident84.5Confident115 Ų11577.2 Ų77.260%0.60243%0.43SS*.Hα-helixtrans-60.8-46.6176.2-169.897.4000111.3V10 V11 M16 V17 L18V10-L14 WeakPolarHBondContact O-CB 3.46Å; V10-L14 PolarHBondContact O-N 3.1Å; V11-L14 WeakPolarHBondContact O-CB 3.48Å; V11-L14 PolarHBondContact O-N 3.47Å; L14-M16 VanDerWaalsContact C-N 3.31Å; L14-M16 PolarHBondContact O-N 3.28Å; L14-V17 PolarHBondContact O-N 3.49Å; L14-L18 WeakPolarHBondContact O-CB 3.47Å; L14-L18 PolarHBondContact O-N 3Å
15I85.4Confident84.3Confident89 Ų8980 Ų8046%0.45643%0.433SS..Hα-helixtrans-61.6-41.6177-68.7167.8000110.5V11 S12 V17 L18 T19V11-I15 HydrophobicContact CG1-CD1 3.84Å; V11-I15 HydrophobicContact CG1-CG1 4.47Å; V11-I15 VanDerWaalsContact O-CG1 3.32Å; V11-I15 WeakPolarHBondContact O-CG1 3.47Å; V11-I15 PolarHBondContact O-N 3.48Å; S12-I15 PolarHBondContact O-N 3.49Å; I15-V17 VanDerWaalsContact C-N 3.35Å; I15-V17 PolarHBondContact O-N 3.02Å; I15-L18 PolarHBondContact O-N 3.03Å; I15-T19 HydrophobicContact CG2-CG2 4.49Å; I15-T19 WeakPolarHBondContact O-CB 3.48Å; I15-T19 WeakPolarHBondContact O-CG2 3.24Å; I15-T19 PolarHBondContact O-N 3.37Å; I15-T19 PolarHBondContact O-OG1 3.16Å
16M84.4Confident84.2Confident41 Ų4183.4 Ų83.420%0.20245%0.452CS..Hα-helixtrans-60.4-42.1177.2178.5-169.270.500112.3S12 V13 L14 T19 F20 S23 F57 L59S12-M16 WeakPolarHBondContact O-CB 2.82Å; S12-M16 PolarHBondContact O-N 3.34Å; V13-M16 HydrophobicContact CG1-CE 4.18Å; V13-M16 WeakPolarHBondContact O-CB 3.12Å; V13-M16 PolarHBondContact O-N 3.01Å; L14-M16 VanDerWaalsContact C-N 3.31Å; L14-M16 PolarHBondContact O-N 3.28Å; M16-T19 PolarHBondContact O-OG1 3.4Å; M16-F20 PolarHBondContact O-N 3.39Å; M16-S23 PolarHBondContact O-OG 3.35Å; M16-F57 HydrophobicContact SD-CE2 4.32Å; M16-F57 HydrophobicContact SD-CZ 3.7Å; M16-L59 HydrophobicContact SD-CD2 4.43Å
17V86.2Confident84.1Confident100 Ų10079.3 Ų79.361%0.60643%0.43SS*.Hα-helixtrans-68.8-41.8177.1173.70000111.1V13 L14 I15 T19 F20V13-V17 WeakPolarHBondContact O-CG2 3.32Å; V13-V17 PolarHBondContact O-N 3.38Å; L14-V17 PolarHBondContact O-N 3.49Å; I15-V17 VanDerWaalsContact C-N 3.35Å; I15-V17 PolarHBondContact O-N 3.02Å; V17-T19 VanDerWaalsContact C-N 3.27Å; V17-T19 PolarHBondContact O-N 2.78Å; V17-F20 WeakPolarHBondContact O-CB 3.5Å; V17-F20 PolarHBondContact O-N 3.44Å
18L88.1Confident83.9Confident147 Ų14778.5 Ų78.577%0.7742%0.422SS*.Hα-helixtrans-64.7-32.2-179.9-157.599.6000112.7L14 I15L14-L18 WeakPolarHBondContact O-CB 3.47Å; L14-L18 PolarHBondContact O-N 3Å; I15-L18 PolarHBondContact O-N 3.03Å
19T85.1Confident84Confident63 Ų6381.4 Ų81.439%0.38743%0.428SS..THydrogen-bonded Turntrans-98.311.9-177.254.50000113.6I15 M16 V17 I22 S23I15-T19 HydrophobicContact CG2-CG2 4.49Å; I15-T19 WeakPolarHBondContact O-CB 3.48Å; I15-T19 WeakPolarHBondContact O-CG2 3.24Å; I15-T19 PolarHBondContact O-N 3.37Å; I15-T19 PolarHBondContact O-OG1 3.16Å; M16-T19 PolarHBondContact O-OG1 3.4Å; V17-T19 VanDerWaalsContact C-N 3.27Å; V17-T19 PolarHBondContact O-N 2.78Å; T19-I22 PolarHBondContact O-N 3.13Å; T19-S23 PolarHBondContact O-N 3.24Å; T19-S23 WeakPolarHBondContact OG1-CB 3.32Å
20F84.2Confident84.1Confident144 Ų14484.9 Ų84.963%0.63245%0.449SS*.THydrogen-bonded Turntrans-63.9135.1173.1-174.7-93.6000110.3M16 V17 V24M16-F20 PolarHBondContact O-N 3.39Å; V17-F20 WeakPolarHBondContact O-CB 3.5Å; V17-F20 PolarHBondContact O-N 3.44Å; F20-V24 HydrophobicContact CD2-CG2 3.71Å; F20-V24 HydrophobicContact CE2-CG2 3.58Å
21P85.4Confident84.1Confident77 Ų7781 Ų8150%0.543%0.425SS..THydrogen-bonded Turncis-94.5-4.812.935.3-35.6000116.2S23 V24P21-S23 VanDerWaalsContact C-N 3.31Å; P21-S23 PolarHBondContact O-N 3.48Å; P21-V24 PolarHBondContact O-N 3.04Å
22I83.3Confident84.2Confident123 Ų12379.6 Ų79.663%0.63142%0.418SS*.Hα-helixtrans-65.2-36.4-170.9-59.3171.7000111.5T19 V24 F25T19-I22 PolarHBondContact O-N 3.13Å; I22-V24 PolarHBondContact O-N 3.49Å; I22-F25 PolarHBondContact O-N 3.22Å
23S80.6Confident84.3Confident8 Ų886 Ų866%0.05645%0.447CS..Hα-helixtrans-57.5-32.4-179.957.70000113.8M16 T19 P21 F25 I26 C27M16-S23 PolarHBondContact O-OG 3.35Å; T19-S23 PolarHBondContact O-N 3.24Å; T19-S23 WeakPolarHBondContact OG1-CB 3.32Å; P21-S23 VanDerWaalsContact C-N 3.31Å; P21-S23 PolarHBondContact O-N 3.48Å; S23-F25 PolarHBondContact O-N 3.4Å; S23-I26 PolarHBondContact O-N 2.79Å; S23-I26 VanDerWaalsContact O-N 3.14Å; S23-C27 PolarHBondContact O-N 3.46Å; S23-C27 PolarHBondContact O-SG 3.31Å
24V80.4Confident84.5Confident51 Ų5187.7 Ų87.731%0.30945%0.447SS..Hα-helixtrans-60.6-45-178.6175.10000111.4F20 P21 I22 I26 C27 F28F20-V24 HydrophobicContact CD2-CG2 3.71Å; F20-V24 HydrophobicContact CE2-CG2 3.58Å; P21-V24 PolarHBondContact O-N 3.04Å; I22-V24 PolarHBondContact O-N 3.49Å; V24-I26 PolarHBondContact O-N 3.09Å; V24-C27 PolarHBondContact O-N 3.36Å; V24-F28 HydrophobicContact CG1-CD2 3.7Å; V24-F28 HydrophobicContact CG1-CE2 3.78Å; V24-F28 VanDerWaalsContact O-CD2 3.29Å; V24-F28 WeakPolarHBondContact O-CD2 3.46Å; V24-F28 PolarHBondContact O-N 3.47Å
25F79.6Confident84.7Confident176 Ų17684.3 Ų84.377%0.77243%0.429SS*.Hα-helixtrans-64.4-25.7180-70-78.2000113I22 S23I22-F25 PolarHBondContact O-N 3.22Å; S23-F25 PolarHBondContact O-N 3.4Å
26I78.8Confident85Confident103 Ų10383 Ų8353%0.52842%0.418SS..Hα-helixtrans-84.5-37.7179.7-61.9173.8000111.1S23 V24S23-I26 PolarHBondContact O-N 2.79Å; S23-I26 VanDerWaalsContact O-N 3.14Å; V24-I26 PolarHBondContact O-N 3.09Å
27C79.4Confident85.3Confident1 Ų181 Ų811%0.00741%0.408CS..Hα-helixtrans-73.1-30.1-176.6-65.70000113.7S23 V24 K29 F57 V58 P60S23-C27 PolarHBondContact O-N 3.46Å; S23-C27 PolarHBondContact O-SG 3.31Å; V24-C27 PolarHBondContact O-N 3.36Å; C27-K29 PolarHBondContact O-N 3.18Å; C27-F57 HydrophobicContact CB-CD2 3.87Å; C27-F57 HydrophobicContact CB-CE2 3.49Å; C27-F57 VanDerWaalsContact CB-CE2 3.49Å; C27-F57 HydrophobicContact CB-CZ 4.25Å; C27-V58 WeakPolarHBondContact CA-O 3.43Å; C27-V58 PolarHBondContact O-N 3.15Å; C27-P60 WeakPolarHBondContact SG-CD 3.36Å
28F83.4Confident85.5Confident106 Ų10676.2 Ų76.247%0.46538%0.379SS..EExtended strand (participates in β ladder)trans-85.1109177.2-77.9-75.9000110V24 V55 F57V24-F28 HydrophobicContact CG1-CD2 3.7Å; V24-F28 HydrophobicContact CG1-CE2 3.78Å; V24-F28 VanDerWaalsContact O-CD2 3.29Å; V24-F28 WeakPolarHBondContact O-CD2 3.46Å; V24-F28 PolarHBondContact O-N 3.47Å; F28-V55 HydrophobicContact CB-CG1 4.43Å; F28-V55 HydrophobicContact CD1-CG1 3.62Å; F28-V55 HydrophobicContact CE1-CG1 4.4Å; F28-V55 HydrophobicContact CG-CG1 4.49Å; F28-F57 HydrophobicContact CZ-CD2 4.37Å
29K84.1Confident85.5Confident100 Ų10069.4 Ų69.444%0.43534%0.343SS..EExtended strand (participates in β ladder)trans-109.3135.3171.5-66.3-57.9-174.881.30110.1C27 F56C27-K29 PolarHBondContact O-N 3.18Å; K29-F56 PolarHBondContact N-O 3.39Å; K29-F56 PolarHBondContact O-N 3.45Å
30V86.6Confident85.7Confident111 Ų11167.8 Ų67.867%0.67333%0.331SS*.EExtended strand (participates in β ladder)trans-103134.2176.5-173.40000108.1V55V30-V55 HydrophobicContact CG2-CG2 4.16Å
31V86.8Confident85.8Confident5 Ų564.2 Ų64.23%0.0331%0.314CS..EExtended strand (participates in β ladder)trans-117.3136.2-179.9-173.30000109E35 A37 G54 F56 Y65V31-E35 HydrophobicContact CG1-CB 3.45Å; V31-E35 VanDerWaalsContact CG1-CB 3.45Å; V31-A37 HydrophobicContact CG2-CB 4.24Å; V31-G54 PolarHBondContact N-O 3.22Å; V31-G54 PolarHBondContact O-N 3.49Å; V31-F56 HydrophobicContact CB-CD2 4.47Å; V31-F56 HydrophobicContact CB-CE2 4.14Å; V31-F56 HydrophobicContact CG2-CD2 3.72Å; V31-F56 HydrophobicContact CG2-CE2 3.87Å; V31-Y65 HydrophobicContact CG2-CE2 3.8Å; V31-Y65 WeakPolarHBondContact CG2-OH 3.39Å
32S89.2Confident85.6Confident41 Ų4163.5 Ų63.529%0.28730%0.304SS..  trans-68.2157.2-177.3-45.80000111.6Y34 E35S32-Y34 VanDerWaalsContact CB-CZ 3.47Å; S32-Y34 PolarHBondContact O-N 3.13Å; S32-Y34 VanDerWaalsContact O-N 3.17Å; S32-Y34 PolarHBondContact OG-OH 3.33Å; S32-E35 VanDerWaalsContact CB-OE2 3.32Å; S32-E35 WeakPolarHBondContact CB-OE2 3.46Å; S32-E35 PolarHBondContact N-OE2 3.48Å; S32-E35 PolarHBondContact O-N 3.48Å; S32-E35 PolarHBondContact OG-OE2 3.19Å
33E87.2Confident85.4Confident144 Ų14460.7 Ų60.767%0.67331%0.305SS*.THydrogen-bonded Turntrans-55.1-36.5-179.7-167.563.7-152.700113E35 R36 P53E33-E35 VanDerWaalsContact C-N 3.34Å; E33-R36 PolarHBondContact O-NH1 3.18Å; E33-P53 VanDerWaalsContact CD-CG 3.46Å; E33-P53 WeakPolarHBondContact OE1-CG 3.41Å; E33-P53 WeakPolarHBondContact OE2-CB 3.3Å; E33-P53 VanDerWaalsContact OE2-CG 3.25Å; E33-P53 WeakPolarHBondContact OE2-CG 3.2Å
34Y89.6Confident85.6Confident96 Ų9667.3 Ų67.338%0.37633%0.329SS..THydrogen-bonded Turntrans-85.6-2.2-178.956.1-99.5000114S32 L70 R71S32-Y34 VanDerWaalsContact CB-CZ 3.47Å; S32-Y34 PolarHBondContact O-N 3.13Å; S32-Y34 VanDerWaalsContact O-N 3.17Å; S32-Y34 PolarHBondContact OG-OH 3.33Å; Y34-L70 WeakPolarHBondContact O-CB 3.42Å; Y34-L70 PolarHBondContact O-N 3.04Å; Y34-R71 HydrophobicContact CG-CG 4.42Å
35E91.7Very high85.8Confident45 Ų4568.1 Ų68.121%0.2133%0.332CS..EExtended strand (participates in β ladder)trans-107.3153.8179.1-74.7165.9165.800111V31 S32 E33 V68V31-E35 HydrophobicContact CG1-CB 3.45Å; V31-E35 VanDerWaalsContact CG1-CB 3.45Å; S32-E35 VanDerWaalsContact CB-OE2 3.32Å; S32-E35 WeakPolarHBondContact CB-OE2 3.46Å; S32-E35 PolarHBondContact N-OE2 3.48Å; S32-E35 PolarHBondContact O-N 3.48Å; S32-E35 PolarHBondContact OG-OE2 3.19Å; E33-E35 VanDerWaalsContact C-N 3.34Å; E35-V68 CarbonylContact C-O 3.45Å; E35-V68 WeakPolarHBondContact CA-O 3.32Å
36R91.3Very high85.7Confident60 Ų6062 Ų6223%0.22630%0.304CS..EExtended strand (participates in β ladder)trans-126.4141.9169.1-65.5-65.8179.1-92.91.5110E33 R51 V68 L70 P103E33-R36 PolarHBondContact O-NH1 3.18Å; R36-R51 WeakPolarHBondContact CD-O 3.24Å; R36-V68 PolarHBondContact N-O 2.93Å; R36-V68 PolarHBondContact O-N 2.96Å; R36-L70 HydrophobicContact CG-CD1 3.44Å; R36-L70 VanDerWaalsContact CG-CD1 3.44Å; R36-L70 HydrophobicContact CG-CD2 4.04Å; R36-L70 HydrophobicContact CG-CG 3.82Å; R36-P103 HydrophobicContact CB-CB 4.16Å; R36-P103 HydrophobicContact CB-CG 3.84Å; R36-P103 HydrophobicContact CG-CG 4.23Å
37A90.1Very high84.9Confident0 Ų063.7 Ų63.70%032%0.324CS..EExtended strand (participates in β ladder)trans-101117.5-177.100000110.7V31 I39 R51 F56 Y65V31-A37 HydrophobicContact CG2-CB 4.24Å; A37-I39 HydrophobicContact CB-CG1 4.44Å; A37-R51 PolarHBondContact N-O 3.06Å; A37-R51 PolarHBondContact O-N 3.36Å; A37-F56 HydrophobicContact CB-CD2 4.37Å; A37-Y65 HydrophobicContact CB-CD2 3.94Å; A37-Y65 HydrophobicContact CB-CE2 3.35Å
38V90.2Very high84.5Confident0 Ų066.4 Ų66.40%035%0.353CS..EExtended strand (participates in β ladder)trans-95.2116.7166.9-1730000108F40 L45 A50 Y66 V68 P103 L104 V107V38-F40 HydrophobicContact CB-CE2 4.4Å; V38-F40 HydrophobicContact CG1-CD2 4.34Å; V38-F40 HydrophobicContact CG1-CE1 4.38Å; V38-F40 HydrophobicContact CG1-CE2 3.58Å; V38-F40 HydrophobicContact CG1-CZ 3.6Å; V38-L45 HydrophobicContact CG1-CD1 3.93Å; V38-A50 HydrophobicContact CG2-CB 4.5Å; V38-Y66 PolarHBondContact N-O 3.32Å; V38-Y66 PolarHBondContact O-N 2.9Å; V38-V68 HydrophobicContact CG2-CG2 4.34Å; V38-P103 HydrophobicContact CG2-CB 4.24Å; V38-L104 HydrophobicContact CG1-CD2 3.92Å; V38-L104 HydrophobicContact CG2-CD2 4.2Å; V38-V107 HydrophobicContact CB-CG2 4.42Å; V38-V107 HydrophobicContact CG2-CG2 4.04Å
39I89.6Confident84.4Confident3 Ų362.4 Ų62.42%0.01534%0.341CS..EExtended strand (participates in β ladder)trans-112.1120.5-176.3-58165.7000108.7A37 R46 F56 V58 D63 D64 Y65A37-I39 HydrophobicContact CB-CG1 4.44Å; I39-R46 PolarHBondContact O-N 3.25Å; I39-F56 HydrophobicContact CD1-CB 4.5Å; I39-V58 HydrophobicContact CD1-CG2 4.42Å; I39-D63 HydrophobicContact CG2-CB 4.16Å; I39-D64 WeakPolarHBondContact CA-O 3.42Å; I39-Y65 HydrophobicContact CG1-CD2 4.22Å
40F88.8Confident84.2Confident30 Ų3059.1 Ų59.113%0.13233%0.332CS..EExtended strand (participates in β ladder)trans-101.2136.2172-60.4-84.8000109.2V38 R44 L45 D63 D64 Y66 V107 I108V38-F40 HydrophobicContact CB-CE2 4.4Å; V38-F40 HydrophobicContact CG1-CD2 4.34Å; V38-F40 HydrophobicContact CG1-CE1 4.38Å; V38-F40 HydrophobicContact CG1-CE2 3.58Å; V38-F40 HydrophobicContact CG1-CZ 3.6Å; F40-R44 WeakPolarHBondContact CA-O 3.41Å; F40-L45 HydrophobicContact CE1-CD1 4.28Å; F40-D63 CarbonylContact O-C 3.51Å; F40-D63 VanDerWaalsContact O-CA 3.25Å; F40-D63 WeakPolarHBondContact O-CA 3.39Å; F40-D64 HydrophobicContact CB-CB 4.4Å; F40-D64 PolarHBondContact N-O 3.38Å; F40-D64 PolarHBondContact O-N 3.48Å; F40-Y66 AromaticContact CD2-CD2 3.59Å; F40-Y66 HydrophobicContact CD2-CD2 3.59Å; F40-Y66 AromaticContact CD2-CE2 3.67Å; F40-Y66 HydrophobicContact CD2-CE2 3.67Å; F40-Y66 AromaticContact CE2-CD2 3.6Å; F40-Y66 HydrophobicContact CE2-CD2 3.6Å; F40-Y66 AromaticContact CE2-CE2 3.91Å; F40-Y66 HydrophobicContact CE2-CE2 3.91Å; F40-V107 HydrophobicContact CE2-CG1 3.72Å; F40-V107 HydrophobicContact CZ-CG1 3.76Å; F40-I108 HydrophobicContact CE1-CD1 4.45Å; F40-I108 HydrophobicContact CE1-CG1 4.15Å; F40-I108 HydrophobicContact CZ-CG1 4.07Å
41R85.6Confident83.9Confident69 Ų6957.9 Ų57.926%0.2632%0.316SS..EExtended strand (participates in β ladder)trans-113.6112.4171.7176.2165.8-65.7179.6-1.1108G43 R44 V62 D63R41-G43 PolarHBondContact O-N 2.94Å; R41-R44 PolarHBondContact N-O 3.16Å; R41-R44 PolarHBondContact O-N 2.96Å; R41-V62 HydrophobicContact CG-CG1 3.96Å; R41-D63 WeakPolarHBondContact CB-OD1 3.36Å; R41-D63 WeakPolarHBondContact CG-OD1 3.36Å; R41-D63 IonicContact CZ-OD1 3.23Å; R41-D63 IonicContact CZ-OD2 3.35Å; R41-D63 IonicContact NE-OD1 3.49Å; R41-D63 PolarHBondContact NE-OD1 2.93Å; R41-D63 IonicContact NE-OD2 3.79Å; R41-D63 IonicContact NH2-OD1 2.75Å; R41-D63 PolarHBondContact NH2-OD1 3.39Å; R41-D63 IonicContact NH2-OD2 3.79Å; R41-D63 PolarHBondContact NH2-OD2 3.2Å
42M82.4Confident83.6Confident61 Ų6159.1 Ų59.130%0.333%0.329SS..THydrogen-bonded Turntrans49.145-178-59.2175.817200112.3E5 A8 T9 R44 V62E5-M42 VanDerWaalsContact CA-SD 3.5Å; E5-M42 HydrophobicContact CB-SD 3.54Å; E5-M42 VanDerWaalsContact CB-SD 3.54Å; E5-M42 HydrophobicContact CG-SD 3.65Å; E5-M42 WeakPolarHBondContact O-CE 3.49Å; A8-M42 HydrophobicContact CB-CE 3.39Å; T9-M42 HydrophobicContact CG2-CE 3.82Å; M42-R44 PolarHBondContact O-N 3.32Å; M42-V62 HydrophobicContact CE-CB 4.4Å; M42-V62 HydrophobicContact CE-CG1 3.67Å; M42-V62 HydrophobicContact CE-CG2 3.93Å; M42-V62 HydrophobicContact CG-CG1 3.99Å; M42-V62 PolarHBondContact N-O 3.23Å; M42-V62 VanDerWaalsContact N-O 3.14Å; M42-V62 HydrophobicContact SD-CG1 4.48Å
43G79.1Confident83.2Confident64 Ų6459.1 Ų59.166%0.6633%0.328SS*.THydrogen-bonded Turntrans75.1-1.3-179.600000115.9R41R41-G43 PolarHBondContact O-N 2.94Å
44R83.8Confident83.1Confident147 Ų14753.7 Ų53.756%0.55531%0.31SS*.EExtended strand (participates in β ladder)trans-99.8138173.2-67.7-174.5178.2139.38.4111.3E5 F40 R41 M42 R46E5-R44 IonicContact OE1-CZ 3.53Å; E5-R44 VanDerWaalsContact OE1-CZ 3.23Å; E5-R44 IonicContact OE1-NH1 3.22Å; E5-R44 PolarHBondContact OE1-NH1 3.16Å; E5-R44 IonicContact OE1-NH2 2.73Å; E5-R44 IonicContact OE2-NH1 2.69Å; E5-R44 PolarHBondContact OE2-NH1 3.41Å; F40-R44 WeakPolarHBondContact CA-O 3.41Å; R41-R44 PolarHBondContact N-O 3.16Å; R41-R44 PolarHBondContact O-N 2.96Å; M42-R44 PolarHBondContact O-N 3.32Å; R44-R46 PolarHBondContact O-N 2.71Å
45L83.8Confident82.8Confident69 Ų6953.3 Ų53.336%0.36132%0.318SS..EExtended strand (participates in β ladder)trans-64.4130.8171.4-175.467.5000109.5V38 F40 L104 I108V38-L45 HydrophobicContact CG1-CD1 3.93Å; F40-L45 HydrophobicContact CE1-CD1 4.28Å; L45-L104 HydrophobicContact CD1-CD2 3.62Å; L45-L104 HydrophobicContact CD2-CD1 4.32Å; L45-L104 HydrophobicContact CD2-CD2 3.89Å; L45-L104 HydrophobicContact CG-CD2 4.37Å; L45-I108 HydrophobicContact CD1-CD1 4.43Å; L45-I108 HydrophobicContact CD2-CD1 4.02Å
46R77.9Confident82.4Confident48 Ų4852.3 Ų52.318%0.18131%0.313CS..PPolyproline II helixtrans-70.5140178.1-154.1177.365-159.7-29.5110.4I39 R44 G48 G49 R51I39-R46 PolarHBondContact O-N 3.25Å; R44-R46 PolarHBondContact O-N 2.71Å; R46-G48 PolarHBondContact O-N 3.01Å; R46-G49 PolarHBondContact O-N 3.08Å; R46-G49 VanDerWaalsContact O-N 3.11Å; R46-R51 VanDerWaalsContact CZ-NH2 3.26Å
47S63.2Low82Confident138 Ų13853.1 Ų53.197%0.96532%0.318SS*.THydrogen-bonded Turntrans-56.1-4.2-173.7-63.90000117.4
48G69.5Low81.8Confident58 Ų5853.8 Ų53.860%0.59832%0.323SS*.THydrogen-bonded Turntrans-96.43.817700000114.9R46R46-G48 PolarHBondContact O-N 3.01Å
49G81.3Confident81.4Confident21 Ų2154.6 Ų54.622%0.21633%0.327CS..  trans64.3-154-177.300000113.3R46 R51R46-G49 PolarHBondContact O-N 3.08Å; R46-G49 VanDerWaalsContact O-N 3.11Å; G49-R51 PolarHBondContact O-N 3.4Å
50A80.1Confident80.6Confident31 Ų3156.7 Ų56.726%0.25634%0.34SS..SBendtrans-70.7121.4175.600000109.2V38 P103 L104V38-A50 HydrophobicContact CG2-CB 4.5Å; A50-P103 HydrophobicContact CB-CB 4.5Å; A50-P103 HydrophobicContact CB-CG 3.6Å; A50-L104 HydrophobicContact CB-CD2 4.01Å; A50-L104 HydrophobicContact CB-CG 3.93Å
51R81.8Confident80.1Confident86 Ų8661.4 Ų61.433%0.32538%0.376SS..BIsolated β-bridgetrans-77.5142.1177-78.7-156.3174.5149-2.6110.2R36 A37 R46 G49 F56R36-R51 WeakPolarHBondContact CD-O 3.24Å; A37-R51 PolarHBondContact N-O 3.06Å; A37-R51 PolarHBondContact O-N 3.36Å; R46-R51 VanDerWaalsContact CZ-NH2 3.26Å; G49-R51 PolarHBondContact O-N 3.4Å; R51-F56 HydrophobicContact CB-CD1 4.18Å; R51-F56 HydrophobicContact CB-CE1 3.77Å; R51-F56 HydrophobicContact CB-CE2 4.16Å; R51-F56 HydrophobicContact CB-CZ 3.78Å; R51-F56 HydrophobicContact CG-CD1 4.36Å; R51-F56 HydrophobicContact CG-CE1 4.19Å
52G79.2Confident80.1Confident30 Ų3058.7 Ų58.731%0.30937%0.367SS..  trans-62.3-167.2175.500000113F56G52-F56 WeakPolarHBondContact O-CE2 3.45Å; G52-F56 WeakPolarHBondContact O-CZ 3.48Å
53P82.3Confident80.4Confident42 Ų4256.3 Ų56.327%0.27336%0.355SS..SBendtrans-77.3159.7176.630.6-27.6000111.6E33E33-P53 VanDerWaalsContact CD-CG 3.46Å; E33-P53 WeakPolarHBondContact OE1-CG 3.41Å; E33-P53 WeakPolarHBondContact OE2-CB 3.3Å; E33-P53 VanDerWaalsContact OE2-CG 3.25Å; E33-P53 WeakPolarHBondContact OE2-CG 3.2Å
54G84.4Confident80.7Confident29 Ų2957.3 Ų57.330%0.29935%0.346SS..EExtended strand (participates in β ladder)trans119.9-161.2179.600000114.1V31 F56V31-G54 PolarHBondContact N-O 3.22Å; V31-G54 PolarHBondContact O-N 3.49Å; G54-F56 WeakPolarHBondContact O-CE2 3.39Å
55V82.7Confident80.9Confident89 Ų8953 Ų5354%0.53933%0.33SS..EExtended strand (participates in β ladder)trans-94.1125.7-173-168.30000110.1F28 V30F28-V55 HydrophobicContact CB-CG1 4.43Å; F28-V55 HydrophobicContact CD1-CG1 3.62Å; F28-V55 HydrophobicContact CE1-CG1 4.4Å; F28-V55 HydrophobicContact CG-CG1 4.49Å; V30-V55 HydrophobicContact CG2-CG2 4.16Å
56F83.1Confident81.2Confident23 Ų2355.2 Ų55.210%0.10133%0.334CS..EExtended strand (participates in β ladder)trans-120.5141.5175.1-54-62.1000111.4K29 V31 A37 I39 R51 G52 G54K29-F56 PolarHBondContact N-O 3.39Å; K29-F56 PolarHBondContact O-N 3.45Å; V31-F56 HydrophobicContact CB-CD2 4.47Å; V31-F56 HydrophobicContact CB-CE2 4.14Å; V31-F56 HydrophobicContact CG2-CD2 3.72Å; V31-F56 HydrophobicContact CG2-CE2 3.87Å; A37-F56 HydrophobicContact CB-CD2 4.37Å; I39-F56 HydrophobicContact CD1-CB 4.5Å; R51-F56 HydrophobicContact CB-CD1 4.18Å; R51-F56 HydrophobicContact CB-CE1 3.77Å; R51-F56 HydrophobicContact CB-CE2 4.16Å; R51-F56 HydrophobicContact CB-CZ 3.78Å; R51-F56 HydrophobicContact CG-CD1 4.36Å; R51-F56 HydrophobicContact CG-CE1 4.19Å; G52-F56 WeakPolarHBondContact O-CE2 3.45Å; G52-F56 WeakPolarHBondContact O-CZ 3.48Å; G54-F56 WeakPolarHBondContact O-CE2 3.39Å
57F83.4Confident81.8Confident78 Ų7856.4 Ų56.434%0.34235%0.348SS..EExtended strand (participates in β ladder)trans-86.5120169.2-174.1-101.3000109.3M16 C27 F28 L59M16-F57 HydrophobicContact SD-CE2 4.32Å; M16-F57 HydrophobicContact SD-CZ 3.7Å; C27-F57 HydrophobicContact CB-CD2 3.87Å; C27-F57 HydrophobicContact CB-CE2 3.49Å; C27-F57 VanDerWaalsContact CB-CE2 3.49Å; C27-F57 HydrophobicContact CB-CZ 4.25Å; F28-F57 HydrophobicContact CZ-CD2 4.37Å; F57-L59 HydrophobicContact CE1-CD1 4.45Å; F57-L59 HydrophobicContact CE1-CD2 3.92Å; F57-L59 HydrophobicContact CE1-CG 3.78Å; F57-L59 HydrophobicContact CZ-CD2 4.21Å; F57-L59 HydrophobicContact CZ-CG 4.46Å
58V85.6Confident83.2Confident14 Ų1450 Ų509%0.08530%0.303CS..  trans-122124.6178.8-177.90000107.6C27 I39 P60 D63C27-V58 WeakPolarHBondContact CA-O 3.43Å; C27-V58 PolarHBondContact O-N 3.15Å; I39-V58 HydrophobicContact CD1-CG2 4.42Å; V58-P60 WeakPolarHBondContact O-CD 3.37Å; V58-D63 HydrophobicContact CG1-CB 3.55Å
59L81.9Confident84.3Confident17 Ų1749.2 Ų49.29%0.08929%0.285CS..  trans-77.9120.8179.4-78.8150.2000110.4V13 M16 F57 V62 D63V13-L59 HydrophobicContact CG2-CD2 4.09Å; M16-L59 HydrophobicContact SD-CD2 4.43Å; F57-L59 HydrophobicContact CE1-CD1 4.45Å; F57-L59 HydrophobicContact CE1-CD2 3.92Å; F57-L59 HydrophobicContact CE1-CG 3.78Å; F57-L59 HydrophobicContact CZ-CD2 4.21Å; F57-L59 HydrophobicContact CZ-CG 4.46Å; L59-V62 HydrophobicContact CB-CB 4.35Å; L59-V62 PolarHBondContact O-N 3.45Å; L59-D63 PolarHBondContact N-OD2 2.93Å; L59-D63 PolarHBondContact O-N 2.96Å
60P73.8Confident84.9Confident46 Ų4650.3 Ų50.330%0.29929%0.286SS..THydrogen-bonded Turntrans-60.4142.8175.425.5-32.8000110.1S12 C27 V58 V62S12-P60 PolarHBondContact OG-O 3.48Å; C27-P60 WeakPolarHBondContact SG-CD 3.36Å; V58-P60 WeakPolarHBondContact O-CD 3.37Å; P60-V62 PolarHBondContact O-N 2.7Å
61C78.1Confident85.7Confident130 Ų13055 Ų5588%0.87830%0.297SS*.THydrogen-bonded Turntrans73.6-16.5-178-47.80000117.1
62V85.4Confident86.4Confident11 Ų1154.1 Ų54.17%0.06730%0.301CS..THydrogen-bonded Turntrans-114.5-38.5-175.6170.70000112.7T9 R41 M42 L59 P60T9-V62 HydrophobicContact CG2-CG1 4.15Å; R41-V62 HydrophobicContact CG-CG1 3.96Å; M42-V62 HydrophobicContact CE-CB 4.4Å; M42-V62 HydrophobicContact CE-CG1 3.67Å; M42-V62 HydrophobicContact CE-CG2 3.93Å; M42-V62 HydrophobicContact CG-CG1 3.99Å; M42-V62 PolarHBondContact N-O 3.23Å; M42-V62 VanDerWaalsContact N-O 3.14Å; M42-V62 HydrophobicContact SD-CG1 4.48Å; L59-V62 HydrophobicContact CB-CB 4.35Å; L59-V62 PolarHBondContact O-N 3.45Å; P60-V62 PolarHBondContact O-N 2.7Å
63D87.4Confident87.2Confident11 Ų1155.4 Ų55.46%0.05930%0.303CS..EExtended strand (participates in β ladder)trans-103.4124.1-178.2-66.8-21.2000109.7I39 F40 R41 V58 L59I39-D63 HydrophobicContact CG2-CB 4.16Å; F40-D63 CarbonylContact O-C 3.51Å; F40-D63 VanDerWaalsContact O-CA 3.25Å; F40-D63 WeakPolarHBondContact O-CA 3.39Å; R41-D63 WeakPolarHBondContact CB-OD1 3.36Å; R41-D63 WeakPolarHBondContact CG-OD1 3.36Å; R41-D63 IonicContact CZ-OD1 3.23Å; R41-D63 IonicContact CZ-OD2 3.35Å; R41-D63 IonicContact NE-OD1 3.49Å; R41-D63 PolarHBondContact NE-OD1 2.93Å; R41-D63 IonicContact NE-OD2 3.79Å; R41-D63 IonicContact NH2-OD1 2.75Å; R41-D63 PolarHBondContact NH2-OD1 3.39Å; R41-D63 IonicContact NH2-OD2 3.79Å; R41-D63 PolarHBondContact NH2-OD2 3.2Å; V58-D63 HydrophobicContact CG1-CB 3.55Å; L59-D63 PolarHBondContact N-OD2 2.93Å; L59-D63 PolarHBondContact O-N 2.96Å
64D87.1Confident87.8Confident86 Ų8657 Ų5746%0.4632%0.315SS..EExtended strand (participates in β ladder)trans-94.2137.8168.6-65.8-47.7000109.5I39 F40 Y66I39-D64 WeakPolarHBondContact CA-O 3.42Å; F40-D64 HydrophobicContact CB-CB 4.4Å; F40-D64 PolarHBondContact N-O 3.38Å; F40-D64 PolarHBondContact O-N 3.48Å; D64-Y66 HydrophobicContact CB-CE2 3.86Å
65Y86.7Confident88.4Confident57 Ų5756.9 Ų56.922%0.22431%0.306CS..EExtended strand (participates in β ladder)trans-121.3123.9-176.7164.9-90.4000110.3V31 A37 I39 P67V31-Y65 HydrophobicContact CG2-CE2 3.8Å; V31-Y65 WeakPolarHBondContact CG2-OH 3.39Å; A37-Y65 HydrophobicContact CB-CD2 3.94Å; A37-Y65 HydrophobicContact CB-CE2 3.35Å; I39-Y65 HydrophobicContact CG1-CD2 4.22Å; Y65-P67 HydrophobicContact CE1-CB 3.86Å; Y65-P67 VanDerWaalsContact CE1-CD 3.44Å; Y65-P67 HydrophobicContact CE1-CG 3.73Å; Y65-P67 WeakPolarHBondContact OH-CB 3.3Å
66Y89.4Confident89Confident115 Ų11557.3 Ų57.345%0.45131%0.305SS..EExtended strand (participates in β ladder)trans-118.5109.2175.3-64.8-89.8000109.9V38 F40 D64V38-Y66 PolarHBondContact N-O 3.32Å; V38-Y66 PolarHBondContact O-N 2.9Å; F40-Y66 AromaticContact CD2-CD2 3.59Å; F40-Y66 HydrophobicContact CD2-CD2 3.59Å; F40-Y66 AromaticContact CD2-CE2 3.67Å; F40-Y66 HydrophobicContact CD2-CE2 3.67Å; F40-Y66 AromaticContact CE2-CD2 3.6Å; F40-Y66 HydrophobicContact CE2-CD2 3.6Å; F40-Y66 AromaticContact CE2-CE2 3.91Å; F40-Y66 HydrophobicContact CE2-CE2 3.91Å; D64-Y66 HydrophobicContact CB-CE2 3.86Å
67P90.4Very high89.6Confident72 Ų7256.3 Ų56.347%0.46830%0.301SS..EExtended strand (participates in β ladder)trans-74.6134.5170.226.5-25.4000110.1Y65Y65-P67 HydrophobicContact CE1-CB 3.86Å; Y65-P67 VanDerWaalsContact CE1-CD 3.44Å; Y65-P67 HydrophobicContact CE1-CG 3.73Å; Y65-P67 WeakPolarHBondContact OH-CB 3.3Å
68V93.1Very high90.1Very high5 Ų555.8 Ų55.83%0.0331%0.306CS..EExtended strand (participates in β ladder)trans-126123176.5-177.70000108.7E35 R36 V38 I100 P103 V107E35-V68 CarbonylContact C-O 3.45Å; E35-V68 WeakPolarHBondContact CA-O 3.32Å; R36-V68 PolarHBondContact N-O 2.93Å; R36-V68 PolarHBondContact O-N 2.96Å; V38-V68 HydrophobicContact CG2-CG2 4.34Å; V68-I100 HydrophobicContact CG1-CB 4.34Å; V68-I100 HydrophobicContact CG1-CD1 3.25Å; V68-I100 HydrophobicContact CG1-CG1 4.34Å; V68-I100 HydrophobicContact CG1-CG2 3.98Å; V68-P103 HydrophobicContact CB-CB 3.99Å; V68-P103 HydrophobicContact CG1-CB 3.97Å; V68-P103 HydrophobicContact CG2-CB 4.3Å; V68-V107 HydrophobicContact CG2-CG2 3.59Å
69D94Very high90.6Very high41 Ų4159.1 Ų59.122%0.21933%0.328CS..EExtended strand (participates in β ladder)trans-79130.3177.1-164.6-20.8000110.3R71 I100D69-R71 VanDerWaalsContact OD1-CB 3.29Å; D69-R71 WeakPolarHBondContact OD1-CB 3.4Å; D69-R71 VanDerWaalsContact OD1-CG 3.26Å; D69-R71 WeakPolarHBondContact OD1-CG 3.44Å; D69-R71 PolarHBondContact OD1-N 3.4Å; D69-R71 IonicContact OD1-NE 3.95Å; D69-R71 PolarHBondContact OD1-NE 3.08Å; D69-R71 VanDerWaalsContact OD1-NE 3.1Å; D69-R71 IonicContact OD2-CZ 2.67Å; D69-R71 VanDerWaalsContact OD2-CZ 3.23Å; D69-R71 IonicContact OD2-NE 2.91Å; D69-R71 PolarHBondContact OD2-NE 3.3Å; D69-R71 IonicContact OD2-NH2 3.3Å; D69-R71 PolarHBondContact OD2-NH2 3.39Å; D69-I100 WeakPolarHBondContact O-CD1 3.48Å
70L93.5Very high91.2Very high44 Ų4459.3 Ų59.323%0.2333%0.328CS..  trans-92.5-4.5178.8-60.8-176.2000113.5Y34 R36 I100 P103Y34-L70 WeakPolarHBondContact O-CB 3.42Å; Y34-L70 PolarHBondContact O-N 3.04Å; R36-L70 HydrophobicContact CG-CD1 3.44Å; R36-L70 VanDerWaalsContact CG-CD1 3.44Å; R36-L70 HydrophobicContact CG-CD2 4.04Å; R36-L70 HydrophobicContact CG-CG 3.82Å; L70-I100 HydrophobicContact CD2-CB 4.25Å; L70-I100 HydrophobicContact CD2-CG2 4.26Å; L70-P103 HydrophobicContact CD2-CB 4.5Å; L70-P103 HydrophobicContact CD2-CG 4.43Å
71R95.5Very high92.2Very high129 Ų12963.7 Ų63.749%0.48735%0.345SS..SBendtrans-68155.3-179.5-67.2178.2-67.5178.20.4111.4Y34 D69 V73Y34-R71 HydrophobicContact CG-CG 4.42Å; D69-R71 VanDerWaalsContact OD1-CB 3.29Å; D69-R71 WeakPolarHBondContact OD1-CB 3.4Å; D69-R71 VanDerWaalsContact OD1-CG 3.26Å; D69-R71 WeakPolarHBondContact OD1-CG 3.44Å; D69-R71 PolarHBondContact OD1-N 3.4Å; D69-R71 IonicContact OD1-NE 3.95Å; D69-R71 PolarHBondContact OD1-NE 3.08Å; D69-R71 VanDerWaalsContact OD1-NE 3.1Å; D69-R71 IonicContact OD2-CZ 2.67Å; D69-R71 VanDerWaalsContact OD2-CZ 3.23Å; D69-R71 IonicContact OD2-NE 2.91Å; D69-R71 PolarHBondContact OD2-NE 3.3Å; D69-R71 IonicContact OD2-NH2 3.3Å; D69-R71 PolarHBondContact OD2-NH2 3.39Å; R71-V73 PolarHBondContact O-N 3.33Å
72T96.3Very high93Very high67 Ų6758.2 Ų58.241%0.41131%0.307SS..  trans-65123.4169.8-51.50000109.3Y98 E164T72-Y98 CarbonylContact C-O 3.54Å; T72-Y98 WeakPolarHBondContact CA-O 3.35Å; T72-E164 WeakPolarHBondContact CB-OE2 3.46Å; T72-E164 WeakPolarHBondContact CG2-OE2 3.34Å; T72-E164 PolarHBondContact OG1-OE2 3.11Å
73V95.9Very high93.4Very high58 Ų5862.2 Ų62.235%0.35233%0.328SS..EExtended strand (participates in β ladder)trans-117148.4173.8-66.30000108.7R71 Y98R71-V73 PolarHBondContact O-N 3.33Å; V73-Y98 HydrophobicContact CG2-CD1 3.96Å; V73-Y98 HydrophobicContact CG2-CD2 4.06Å; V73-Y98 HydrophobicContact CG2-CE1 3.5Å; V73-Y98 VanDerWaalsContact CG2-CE1 3.5Å; V73-Y98 HydrophobicContact CG2-CE2 3.62Å; V73-Y98 HydrophobicContact CG2-CG 4.25Å; V73-Y98 PolarHBondContact N-O 3.38Å; V73-Y98 PolarHBondContact O-N 3.16Å; V73-Y98 VanDerWaalsContact O-O 3.1Å
74S96Very high93.8Very high75 Ų7561.9 Ų61.952%0.52433%0.326SS..EExtended strand (participates in β ladder)trans-113.5149.4174.856.40000110.6V96S74-V96 VanDerWaalsContact CA-O 3.3Å; S74-V96 WeakPolarHBondContact CA-O 3.44Å
75F96.4Very high94.1Very high26 Ų2664.2 Ų64.211%0.11433%0.332CS..EExtended strand (participates in β ladder)trans-139.4146.516768.1-85.5000110V77 V96 Y98 T117 S118 A121F75-V77 HydrophobicContact CD2-CG2 4.49Å; F75-V77 HydrophobicContact CE2-CG2 3.9Å; F75-V96 HydrophobicContact CD1-CB 4.22Å; F75-V96 HydrophobicContact CE1-CB 3.64Å; F75-V96 HydrophobicContact CE1-CG1 3.81Å; F75-V96 HydrophobicContact CE1-CG2 4.49Å; F75-V96 HydrophobicContact CE2-CB 4.16Å; F75-V96 HydrophobicContact CE2-CG2 4.26Å; F75-V96 HydrophobicContact CZ-CB 3.6Å; F75-V96 HydrophobicContact CZ-CG1 3.96Å; F75-V96 HydrophobicContact CZ-CG2 3.95Å; F75-V96 PolarHBondContact N-O 3.1Å; F75-V96 VanDerWaalsContact N-O 3.15Å; F75-V96 PolarHBondContact O-N 3.35Å; F75-Y98 AromaticContact CD1-CD1 3.6Å; F75-Y98 HydrophobicContact CD1-CD1 3.6Å; F75-Y98 AromaticContact CD1-CE1 3.39Å; F75-Y98 HydrophobicContact CD1-CE1 3.39Å; F75-Y98 AromaticContact CE1-CD1 3.49Å; F75-Y98 HydrophobicContact CE1-CD1 3.49Å; F75-Y98 VanDerWaalsContact CE1-CD1 3.49Å; F75-Y98 AromaticContact CE1-CE1 3.58Å; F75-Y98 HydrophobicContact CE1-CE1 3.58Å; F75-T117 HydrophobicContact CE1-CG2 4.09Å; F75-T117 HydrophobicContact CZ-CG2 4.01Å; F75-S118 VanDerWaalsContact CE2-CA 3.46Å; F75-A121 HydrophobicContact CE2-CB 4.29Å; F75-A121 HydrophobicContact CZ-CB 4.21Å
76D96.1Very high94.5Very high98 Ų9864.8 Ų64.852%0.52434%0.339SS..EExtended strand (participates in β ladder)trans-79.2130.7172.1-63.4-82.2000109.8V95 K169D76-V95 WeakPolarHBondContact OD1-CG2 3.34Å; D76-K169 IonicContact OD1-NZ 2.83Å; D76-K169 PolarHBondContact OD1-NZ 3.48Å
77V95.8Very high94.7Very high2 Ų263.6 Ų63.61%0.01235%0.348CS..EExtended strand (participates in β ladder)trans-80.2125.8165.9-177.90000107F75 A94 V96 A121 A122 L125F75-V77 HydrophobicContact CD2-CG2 4.49Å; F75-V77 HydrophobicContact CE2-CG2 3.9Å; V77-A94 HydrophobicContact CB-CB 4.45Å; V77-A94 WeakPolarHBondContact CB-O 3.46Å; V77-A94 PolarHBondContact N-O 2.95Å; V77-V96 HydrophobicContact CG2-CG2 3.81Å; V77-A121 HydrophobicContact CG2-CB 3.76Å; V77-A122 HydrophobicContact CG1-CB 3.99Å; V77-L125 HydrophobicContact CG1-CD2 4.08Å
78P93.8Very high94.8Very high67 Ų6761.4 Ų61.444%0.43533%0.333SS..EExtended strand (participates in β ladder)trans-60148.8-179.424.1-33000110.9Q80P78-Q80 PolarHBondContact O-N 3.36Å; P78-Q80 PolarHBondContact O-NE2 2.93Å
79P95.3Very high94.8Very high84 Ų8463.8 Ų63.855%0.54535%0.347SS..EExtended strand (participates in β ladder)trans-53.8130.2-179.7-2431.4000112.2T91 D93P79-T91 HydrophobicContact CB-CG2 3.73Å; P79-D93 HydrophobicContact CB-CB 4.33Å; P79-D93 HydrophobicContact CG-CB 4.1Å
80Q95.1Very high94.9Very high21 Ų2161.9 Ų61.910%0.09834%0.337CS..EExtended strand (participates in β ladder)trans-110.3123178.3-58.3-57.1-62.100109.9P78 V82 T91 V92 L125P78-Q80 PolarHBondContact O-N 3.36Å; P78-Q80 PolarHBondContact O-NE2 2.93Å; Q80-V82 HydrophobicContact CB-CG2 4.07Å; Q80-T91 WeakPolarHBondContact O-CA 3.46Å; Q80-V92 PolarHBondContact N-O 3.38Å; Q80-V92 PolarHBondContact O-N 3.37Å; Q80-L125 HydrophobicContact CB-CD2 4.5Å; Q80-L125 HydrophobicContact CG-CD2 4.07Å
81E94.7Very high94.9Very high139 Ų13962.1 Ų62.165%0.6534%0.341SS*.EExtended strand (participates in β ladder)trans-85.6120170.3-170.2176.8-175.800109.5T89 V90E81-T89 HydrophobicContact CG-CG2 3.69Å; E81-T89 VanDerWaalsContact OE1-CG2 3.29Å; E81-T89 WeakPolarHBondContact OE1-CG2 3.29Å; E81-V90 WeakPolarHBondContact CA-O 3.42Å
82V94.6Very high94.9Very high14 Ų1456 Ų569%0.08532%0.318CS..EExtended strand (participates in β ladder)trans-141.5147.4-172.4-174.10000110Q80 V90 R126 L129Q80-V82 HydrophobicContact CB-CG2 4.07Å; V82-V90 PolarHBondContact N-O 2.87Å; V82-V90 PolarHBondContact O-N 3.42Å; V82-R126 HydrophobicContact CG1-CG 4.17Å; V82-R126 HydrophobicContact CG2-CB 4.06Å; V82-R126 HydrophobicContact CG2-CG 3.79Å; V82-L129 HydrophobicContact CG1-CB 4.36Å
83L94.8Very high94.9Very high96 Ų9654.1 Ų54.150%0.50331%0.305SS..EExtended strand (participates in β ladder)trans-86.7120.1169.2-164.374000109.2S87L83-S87 VanDerWaalsContact CD1-C 3.41Å; L83-S87 WeakPolarHBondContact CD1-O 3.35Å
84S94.7Very high94.9Very high4 Ų451.4 Ų51.43%0.02829%0.288CS..  trans-70171.1173.259.40000111.6D86 S87 V88S84-D86 WeakPolarHBondContact CB-OD1 3.42Å; S84-D86 PolarHBondContact O-N 3.5Å; S84-D86 PolarHBondContact OG-OD1 2.69Å; S84-S87 PolarHBondContact O-N 3.46Å; S84-V88 PolarHBondContact N-O 2.94Å; S84-V88 WeakPolarHBondContact OG-CB 3.48Å; S84-V88 PolarHBondContact OG-N 3.4Å; S84-V88 PolarHBondContact OG-O 3.21Å
85K95.1Very high94.9Very high135 Ų13548.6 Ų48.659%0.58727%0.268SS*.THydrogen-bonded Turntrans-59.1-30.1-179.9-179.4174.8172.8-176.90113.6S87 R132 N133K85-S87 VanDerWaalsContact C-N 3.26Å; K85-S87 PolarHBondContact O-N 2.87Å; K85-R132 WeakPolarHBondContact CB-O 3.34Å; K85-R132 PolarHBondContact N-O 2.88Å; K85-N133 WeakPolarHBondContact CD-OD1 3.37Å
86D94.9Very high95Very high69 Ų6947.4 Ų47.437%0.36926%0.263SS..THydrogen-bonded Turntrans-87.915.9176.254.7-21000113.5S84 V88 L134S84-D86 WeakPolarHBondContact CB-OD1 3.42Å; S84-D86 PolarHBondContact O-N 3.5Å; S84-D86 PolarHBondContact OG-OD1 2.69Å; D86-V88 VanDerWaalsContact C-N 3.3Å; D86-V88 PolarHBondContact O-N 2.95Å; D86-L134 PolarHBondContact OD1-N 3.28Å; D86-L134 VanDerWaalsContact OD1-N 3.15Å; D86-L134 WeakPolarHBondContact OD2-CB 3.42Å; D86-L134 PolarHBondContact OD2-N 2.98Å; D86-L134 VanDerWaalsContact OD2-N 3.16Å
87S93.1Very high95.1Very high90 Ų9045.4 Ų45.463%0.62925%0.249SC*.SBendtrans6331.9176.5-53.50000114.2L83 S84 K85L83-S87 VanDerWaalsContact CD1-C 3.41Å; L83-S87 WeakPolarHBondContact CD1-O 3.35Å; S84-S87 PolarHBondContact O-N 3.46Å; K85-S87 VanDerWaalsContact C-N 3.26Å; K85-S87 PolarHBondContact O-N 2.87Å
88V92.8Very high95.1Very high25 Ų2545.8 Ų45.815%0.15225%0.25CC..  trans-100.8130.9173.1178.60000109.7S84 D86 V90 L134 L173 L177S84-V88 PolarHBondContact N-O 2.94Å; S84-V88 WeakPolarHBondContact OG-CB 3.48Å; S84-V88 PolarHBondContact OG-N 3.4Å; S84-V88 PolarHBondContact OG-O 3.21Å; D86-V88 VanDerWaalsContact C-N 3.3Å; D86-V88 PolarHBondContact O-N 2.95Å; V88-V90 HydrophobicContact CG1-CG1 4.09Å; V88-V90 PolarHBondContact O-N 3.47Å; V88-L134 HydrophobicContact CG1-CD2 4.21Å; V88-L134 HydrophobicContact CG2-CD2 4.36Å; V88-L173 HydrophobicContact CG1-CD2 4.04Å; V88-L177 HydrophobicContact CB-CD2 4.41Å; V88-L177 HydrophobicContact CG1-CD2 3.29Å; V88-L177 HydrophobicContact CG2-CD2 4.23Å
89T93.6Very high95.3Very high55 Ų5546.9 Ų46.934%0.33725%0.245SC..EExtended strand (participates in β ladder)trans-75.4120.5171.9-51.30000109.3E81 P174E81-T89 HydrophobicContact CG-CG2 3.69Å; E81-T89 VanDerWaalsContact OE1-CG2 3.29Å; E81-T89 WeakPolarHBondContact OE1-CG2 3.29Å; T89-P174 WeakPolarHBondContact O-CD 3.46Å
90V94.3Very high95.3Very high1 Ų143.2 Ų43.21%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-126.1144.1176.7-66.50000110E81 V82 V88 V92 L134 L137 L173E81-V90 WeakPolarHBondContact CA-O 3.42Å; V82-V90 PolarHBondContact N-O 2.87Å; V82-V90 PolarHBondContact O-N 3.42Å; V88-V90 HydrophobicContact CG1-CG1 4.09Å; V88-V90 PolarHBondContact O-N 3.47Å; V90-V92 HydrophobicContact CB-CG2 4.4Å; V90-V92 HydrophobicContact CG2-CG2 4.2Å; V90-L134 HydrophobicContact CG1-CD1 3.86Å; V90-L137 HydrophobicContact CG2-CD1 3.98Å; V90-L173 HydrophobicContact CG1-CD2 3.81Å
91T95.1Very high95.3Very high50 Ų5045.1 Ų45.131%0.30724%0.236SC..EExtended strand (participates in β ladder)trans-108.6121.8170.3-56.60000108.5P79 Q80 S172P79-T91 HydrophobicContact CB-CG2 3.73Å; Q80-T91 WeakPolarHBondContact O-CA 3.46Å; T91-S172 PolarHBondContact N-O 2.98Å; T91-S172 PolarHBondContact O-N 2.63Å
92V95.3Very high95.2Very high0 Ų040.7 Ų40.70%022%0.217CC..EExtended strand (participates in β ladder)trans-128.7134.4-176.4-176.50000110.2Q80 V90 L125 L129 I168 D170 V171Q80-V92 PolarHBondContact N-O 3.38Å; Q80-V92 PolarHBondContact O-N 3.37Å; V90-V92 HydrophobicContact CB-CG2 4.4Å; V90-V92 HydrophobicContact CG2-CG2 4.2Å; V92-L125 HydrophobicContact CG1-CD1 4.35Å; V92-L129 HydrophobicContact CB-CD1 3.58Å; V92-L129 HydrophobicContact CG1-CD1 4.02Å; V92-L129 HydrophobicContact CG1-CD2 4.4Å; V92-L129 HydrophobicContact CG2-CD1 3.71Å; V92-L129 HydrophobicContact CG2-CD2 4.22Å; V92-I168 HydrophobicContact CG1-CG2 3.83Å; V92-D170 WeakPolarHBondContact CA-O 3.36Å; V92-V171 HydrophobicContact CG1-CG2 4.24Å; V92-V171 HydrophobicContact CG2-CB 4.42Å; V92-V171 HydrophobicContact CG2-CG1 4.09Å; V92-V171 HydrophobicContact CG2-CG2 4.1Å
93D95.1Very high95.1Very high28 Ų2840.6 Ų40.615%0.1522%0.217CC..EExtended strand (participates in β ladder)trans-116.2159.3168.368.3-11000111.2P79 K169 D170P79-D93 HydrophobicContact CB-CB 4.33Å; P79-D93 HydrophobicContact CG-CB 4.1Å; D93-K169 PolarHBondContact O-N 2.9Å; D93-K169 WeakPolarHBondContact OD1-CB 3.29Å; D93-K169 WeakPolarHBondContact OD2-CD 3.48Å; D93-K169 IonicContact OD2-NZ 2.78Å; D93-D170 PolarHBondContact N-O 2.85Å; D93-D170 WeakPolarHBondContact OD1-CA 3.32Å; D93-D170 PolarHBondContact OD1-N 3.31Å
94A96Very high95Very high0 Ų037.9 Ų37.90%020%0.203CC..EExtended strand (participates in β ladder)trans-149.3159.6-175.300000110.7V77 L125 E167V77-A94 HydrophobicContact CB-CB 4.45Å; V77-A94 WeakPolarHBondContact CB-O 3.46Å; V77-A94 PolarHBondContact N-O 2.95Å; A94-L125 HydrophobicContact CB-CD1 4.48Å; A94-L125 HydrophobicContact CB-CD2 4.21Å; A94-E167 CarbonylContact C-O 3.59Å; A94-E167 VanDerWaalsContact CA-O 3.25Å; A94-E167 WeakPolarHBondContact CA-O 3.32Å; A94-E167 WeakPolarHBondContact CB-O 3.48Å
95V97.1Very high94.9Very high17 Ų1741.8 Ų41.810%0.10322%0.219CC..EExtended strand (participates in β ladder)trans-118.2133.7173.9-175.40000108.5D76 Y97 V166 E167 K169D76-V95 WeakPolarHBondContact OD1-CG2 3.34Å; V95-Y97 HydrophobicContact CB-CE2 4.34Å; V95-Y97 HydrophobicContact CG1-CD2 4.44Å; V95-Y97 HydrophobicContact CG1-CE2 3.89Å; V95-V166 WeakPolarHBondContact O-CA 3.41Å; V95-E167 PolarHBondContact N-O 3.17Å; V95-E167 PolarHBondContact O-N 2.99Å; V95-K169 HydrophobicContact CG2-CD 4.24Å
96V97.9Very high94.8Very high0 Ų035.4 Ų35.40%019%0.192CC..EExtended strand (participates in β ladder)trans-112.7126.2177.9179.90000108.9S74 F75 V77 A121 M148 V163 V166S74-V96 VanDerWaalsContact CA-O 3.3Å; S74-V96 WeakPolarHBondContact CA-O 3.44Å; F75-V96 HydrophobicContact CD1-CB 4.22Å; F75-V96 HydrophobicContact CE1-CB 3.64Å; F75-V96 HydrophobicContact CE1-CG1 3.81Å; F75-V96 HydrophobicContact CE1-CG2 4.49Å; F75-V96 HydrophobicContact CE2-CB 4.16Å; F75-V96 HydrophobicContact CE2-CG2 4.26Å; F75-V96 HydrophobicContact CZ-CB 3.6Å; F75-V96 HydrophobicContact CZ-CG1 3.96Å; F75-V96 HydrophobicContact CZ-CG2 3.95Å; F75-V96 PolarHBondContact N-O 3.1Å; F75-V96 VanDerWaalsContact N-O 3.15Å; F75-V96 PolarHBondContact O-N 3.35Å; V77-V96 HydrophobicContact CG2-CG2 3.81Å; V96-A121 HydrophobicContact CG2-CB 4.05Å; V96-M148 HydrophobicContact CG2-CE 4.46Å; V96-V163 HydrophobicContact CG1-CG1 3.87Å; V96-V166 HydrophobicContact CG1-CG2 4.37Å; V96-V166 HydrophobicContact CG2-CG1 4.31Å; V96-V166 HydrophobicContact CG2-CG2 4.22Å
97Y97.7Very high94.7Very high57 Ų5734.1 Ų34.122%0.22419%0.186CC..EExtended strand (participates in β ladder)trans-101.7118.8172.8-59.6-95.3000108.4V95 E164 R165 E167V95-Y97 HydrophobicContact CB-CE2 4.34Å; V95-Y97 HydrophobicContact CG1-CD2 4.44Å; V95-Y97 HydrophobicContact CG1-CE2 3.89Å; Y97-E164 PolarHBondContact O-N 3.32Å; Y97-R165 HydrophobicContact CD2-CB 4.19Å; Y97-R165 PolarHBondContact N-O 2.98Å; Y97-R165 PolarHBondContact O-N 3.04Å; Y97-E167 HydrophobicContact CE2-CB 4.39Å; Y97-E167 VanDerWaalsContact CE2-CD 3.48Å; Y97-E167 HydrophobicContact CE2-CG 4Å; Y97-E167 WeakPolarHBondContact CE2-OE2 3.45Å; Y97-E167 PolarHBondContact OH-OE2 3.1Å
98Y97.1Very high94.6Very high9 Ų933.8 Ų33.84%0.03518%0.176CC..EExtended strand (participates in β ladder)trans-135.6158.5179.477.9-89.4000110.8T72 V73 F75 Y113 S114 V161 K162T72-Y98 CarbonylContact C-O 3.54Å; T72-Y98 WeakPolarHBondContact CA-O 3.35Å; V73-Y98 HydrophobicContact CG2-CD1 3.96Å; V73-Y98 HydrophobicContact CG2-CD2 4.06Å; V73-Y98 HydrophobicContact CG2-CE1 3.5Å; V73-Y98 VanDerWaalsContact CG2-CE1 3.5Å; V73-Y98 HydrophobicContact CG2-CE2 3.62Å; V73-Y98 HydrophobicContact CG2-CG 4.25Å; V73-Y98 PolarHBondContact N-O 3.38Å; V73-Y98 PolarHBondContact O-N 3.16Å; V73-Y98 VanDerWaalsContact O-O 3.1Å; F75-Y98 AromaticContact CD1-CD1 3.6Å; F75-Y98 HydrophobicContact CD1-CD1 3.6Å; F75-Y98 AromaticContact CD1-CE1 3.39Å; F75-Y98 HydrophobicContact CD1-CE1 3.39Å; F75-Y98 AromaticContact CE1-CD1 3.49Å; F75-Y98 HydrophobicContact CE1-CD1 3.49Å; F75-Y98 VanDerWaalsContact CE1-CD1 3.49Å; F75-Y98 AromaticContact CE1-CE1 3.58Å; F75-Y98 HydrophobicContact CE1-CE1 3.58Å; Y98-Y113 HydrophobicContact CE2-CD2 4.02Å; Y98-Y113 HydrophobicContact CE2-CE2 4.03Å; Y98-Y113 WeakPolarHBondContact OH-CE2 3.28Å; Y98-S114 WeakPolarHBondContact OH-CB 3.41Å; Y98-S114 PolarHBondContact OH-OG 2.78Å; Y98-V161 HydrophobicContact CD2-CG1 3.51Å; Y98-V161 HydrophobicContact CE2-CG1 4.23Å; Y98-V161 HydrophobicContact CG-CG1 3.98Å; Y98-K162 CarbonylContact C-O 3.33Å; Y98-K162 VanDerWaalsContact CA-O 3.25Å; Y98-K162 WeakPolarHBondContact CA-O 3.34Å; Y98-K162 WeakPolarHBondContact CB-O 3.22Å
99R96.4Very high94.6Very high91 Ų9138.5 Ų38.534%0.34320%0.197SC..EExtended strand (participates in β ladder)trans-136.3161.6168.166.7173.7176.184.33.1110.2K162 E164R99-K162 HydrophobicContact CG-CB 4.31Å; R99-K162 PolarHBondContact N-O 2.87Å; R99-K162 PolarHBondContact O-N 3.35Å; R99-E164 WeakPolarHBondContact CD-OE1 3.29Å; R99-E164 HydrophobicContact CG-CG 4.16Å; R99-E164 IonicContact NE-OE1 3.2Å; R99-E164 PolarHBondContact NE-OE1 2.92Å
100I96.3Very high94.6Very high6 Ų636.9 Ų36.93%0.03119%0.187CC..EExtended strand (participates in β ladder)trans-85.6120.6178.4-60.7171.7000108V68 D69 L70 P103 A106 Y113V68-I100 HydrophobicContact CG1-CB 4.34Å; V68-I100 HydrophobicContact CG1-CD1 3.25Å; V68-I100 HydrophobicContact CG1-CG1 4.34Å; V68-I100 HydrophobicContact CG1-CG2 3.98Å; D69-I100 WeakPolarHBondContact O-CD1 3.48Å; L70-I100 HydrophobicContact CD2-CB 4.25Å; L70-I100 HydrophobicContact CD2-CG2 4.26Å; I100-P103 HydrophobicContact CG2-CB 4.3Å; I100-A106 HydrophobicContact CG2-CB 3.92Å; I100-Y113 HydrophobicContact CD1-CD2 4.3Å; I100-Y113 HydrophobicContact CD1-CE1 4.09Å; I100-Y113 HydrophobicContact CD1-CE2 3.66Å; I100-Y113 HydrophobicContact CG1-CE2 4.37Å
101S94.3Very high94.4Very high61 Ų6148.1 Ų48.143%0.42723%0.231SC..SBendtrans-89.9-39.7176.659.30000111.4G160S101-G160 PolarHBondContact N-O 3.44Å; S101-G160 PolarHBondContact OG-O 2.95Å; S101-G160 VanDerWaalsContact OG-O 3.12Å
102D93.9Very high94.3Very high46 Ų4649.2 Ų49.225%0.24624%0.235CC..  trans-128.8101.4178.1-173.3-15000110.4L104 K105 A106 G160D102-L104 PolarHBondContact O-N 3.04Å; D102-L104 VanDerWaalsContact OD1-CB 3.32Å; D102-L104 WeakPolarHBondContact OD1-CB 3.45Å; D102-L104 PolarHBondContact OD1-N 2.91Å; D102-K105 HydrophobicContact CB-CB 4.21Å; D102-K105 HydrophobicContact CB-CD 4.07Å; D102-K105 HydrophobicContact CB-CG 4.25Å; D102-K105 PolarHBondContact O-N 3.24Å; D102-K105 PolarHBondContact OD1-N 3.18Å; D102-K105 WeakPolarHBondContact OD2-CD 3.45Å; D102-K105 VanDerWaalsContact OD2-CE 3.27Å; D102-K105 WeakPolarHBondContact OD2-CE 3.27Å; D102-K105 WeakPolarHBondContact OD2-CG 3.34Å; D102-A106 PolarHBondContact O-N 3.36Å; D102-A106 VanDerWaalsContact O-N 3.12Å; D102-G160 PolarHBondContact N-O 3.15Å
103P92.4Very high94.2Very high13 Ų1352.2 Ų52.28%0.08425%0.246CC..Hα-helixtrans-66.6-21.8-179.228-35.7000113R36 V38 A50 V68 L70 I100 V107R36-P103 HydrophobicContact CB-CB 4.16Å; R36-P103 HydrophobicContact CB-CG 3.84Å; R36-P103 HydrophobicContact CG-CG 4.23Å; V38-P103 HydrophobicContact CG2-CB 4.24Å; A50-P103 HydrophobicContact CB-CB 4.5Å; A50-P103 HydrophobicContact CB-CG 3.6Å; V68-P103 HydrophobicContact CB-CB 3.99Å; V68-P103 HydrophobicContact CG1-CB 3.97Å; V68-P103 HydrophobicContact CG2-CB 4.3Å; L70-P103 HydrophobicContact CD2-CB 4.5Å; L70-P103 HydrophobicContact CD2-CG 4.43Å; I100-P103 HydrophobicContact CG2-CB 4.3Å; P103-V107 WeakPolarHBondContact O-CG2 3.38Å; P103-V107 PolarHBondContact O-N 2.85Å
104L92Very high94.1Very high38 Ų3852.9 Ų52.920%0.19925%0.254CS..Hα-helixtrans-69.6-48.6175.7-67.3175.2000110.6V38 L45 A50 D102 A106 V107 I108V38-L104 HydrophobicContact CG1-CD2 3.92Å; V38-L104 HydrophobicContact CG2-CD2 4.2Å; L45-L104 HydrophobicContact CD1-CD2 3.62Å; L45-L104 HydrophobicContact CD2-CD1 4.32Å; L45-L104 HydrophobicContact CD2-CD2 3.89Å; L45-L104 HydrophobicContact CG-CD2 4.37Å; A50-L104 HydrophobicContact CB-CD2 4.01Å; A50-L104 HydrophobicContact CB-CG 3.93Å; D102-L104 PolarHBondContact O-N 3.04Å; D102-L104 VanDerWaalsContact OD1-CB 3.32Å; D102-L104 WeakPolarHBondContact OD1-CB 3.45Å; D102-L104 PolarHBondContact OD1-N 2.91Å; L104-A106 VanDerWaalsContact C-N 3.31Å; L104-A106 PolarHBondContact O-N 2.88Å; L104-V107 PolarHBondContact O-N 2.96Å; L104-I108 HydrophobicContact CB-CD1 4.49Å; L104-I108 WeakPolarHBondContact O-CB 3.49Å; L104-I108 VanDerWaalsContact O-CG1 3.25Å; L104-I108 WeakPolarHBondContact O-CG1 3.44Å; L104-I108 PolarHBondContact O-N 3Å
105K92.9Very high94Very high87 Ų8758 Ų5838%0.37828%0.277SS..Hα-helixtrans-62.5-40.7177.5-70.8177.5-172177.50111.4D102 V107 I108 Q109 W159D102-K105 HydrophobicContact CB-CB 4.21Å; D102-K105 HydrophobicContact CB-CD 4.07Å; D102-K105 HydrophobicContact CB-CG 4.25Å; D102-K105 PolarHBondContact O-N 3.24Å; D102-K105 PolarHBondContact OD1-N 3.18Å; D102-K105 WeakPolarHBondContact OD2-CD 3.45Å; D102-K105 VanDerWaalsContact OD2-CE 3.27Å; D102-K105 WeakPolarHBondContact OD2-CE 3.27Å; D102-K105 WeakPolarHBondContact OD2-CG 3.34Å; K105-V107 PolarHBondContact O-N 3.49Å; K105-I108 PolarHBondContact O-N 3.26Å; K105-Q109 HydrophobicContact CB-CG 4.15Å; K105-Q109 HydrophobicContact CG-CG 4.39Å; K105-Q109 VanDerWaalsContact O-CB 3.25Å; K105-Q109 WeakPolarHBondContact O-CB 3.22Å; K105-Q109 PolarHBondContact O-N 3.38Å; K105-W159 CarbonylContact C-O 3.38Å
106A93.4Very high94Very high1 Ų158.8 Ų58.81%0.00828%0.283CS..Hα-helixtrans-61-32-179.100000113.7I100 D102 L104 Y113 W159I100-A106 HydrophobicContact CG2-CB 3.92Å; D102-A106 PolarHBondContact O-N 3.36Å; D102-A106 VanDerWaalsContact O-N 3.12Å; L104-A106 VanDerWaalsContact C-N 3.31Å; L104-A106 PolarHBondContact O-N 2.88Å; A106-Y113 HydrophobicContact CB-CD1 4.13Å; A106-W159 WeakPolarHBondContact CA-O 3.48Å; A106-W159 PolarHBondContact N-O 3.42Å
107V92.1Very high93.8Very high41 Ų4158.8 Ų58.825%0.24828%0.283CS..Hα-helixtrans-91.9-31.7179.6-179.50000112.4V38 F40 V68 P103 L104 K105V38-V107 HydrophobicContact CB-CG2 4.42Å; V38-V107 HydrophobicContact CG2-CG2 4.04Å; F40-V107 HydrophobicContact CE2-CG1 3.72Å; F40-V107 HydrophobicContact CZ-CG1 3.76Å; V68-V107 HydrophobicContact CG2-CG2 3.59Å; P103-V107 WeakPolarHBondContact O-CG2 3.38Å; P103-V107 PolarHBondContact O-N 2.85Å; L104-V107 PolarHBondContact O-N 2.96Å; K105-V107 PolarHBondContact O-N 3.49Å
108I91.9Very high93.7Very high83 Ų8357.3 Ų57.343%0.42628%0.281SS..Hα-helixtrans-91.7-41.1-172.8-63.9169.8000112.3F40 L45 L104 K105F40-I108 HydrophobicContact CE1-CD1 4.45Å; F40-I108 HydrophobicContact CE1-CG1 4.15Å; F40-I108 HydrophobicContact CZ-CG1 4.07Å; L45-I108 HydrophobicContact CD1-CD1 4.43Å; L45-I108 HydrophobicContact CD2-CD1 4.02Å; L104-I108 HydrophobicContact CB-CD1 4.49Å; L104-I108 WeakPolarHBondContact O-CB 3.49Å; L104-I108 VanDerWaalsContact O-CG1 3.25Å; L104-I108 WeakPolarHBondContact O-CG1 3.44Å; L104-I108 PolarHBondContact O-N 3Å; K105-I108 PolarHBondContact O-N 3.26Å
109Q93.1Very high93.6Very high124 Ų12461.5 Ų61.558%0.57930%0.304SS*.THydrogen-bonded Turntrans-84.4-22.5-168.8-62.4-67.8-4.400113.1K105K105-Q109 HydrophobicContact CB-CG 4.15Å; K105-Q109 HydrophobicContact CG-CG 4.39Å; K105-Q109 VanDerWaalsContact O-CB 3.25Å; K105-Q109 WeakPolarHBondContact O-CB 3.22Å; K105-Q109 PolarHBondContact O-N 3.38Å
110V93.3Very high93.6Very high21 Ų2159.2 Ų59.213%0.12730%0.298CS..  trans-143.3140.3-177.386.20000110.1Y113 S116 W159V110-Y113 VanDerWaalsContact CG1-CA 3.4Å; V110-S116 WeakPolarHBondContact CG2-OG 3.44Å; V110-W159 HydrophobicContact CB-CG 4.17Å; V110-W159 HydrophobicContact CG1-CB 4.35Å; V110-W159 HydrophobicContact CG1-CG 4.31Å; V110-W159 HydrophobicContact CG2-CD2 4.38Å
111Y89.6Confident93.7Very high238 Ų23858.9 Ų58.993%0.93330%0.297SS*.SBendtrans-65.5-44.1-177.1179.6-98.7000112.4
112N92.9Very high93.7Very high73 Ų7356.5 Ų56.539%0.3928%0.281SS..  trans-140.599.8175.8-175.1-34.2000109.6S114 H115 S116N112-S114 VanDerWaalsContact C-N 3.29Å; N112-S114 PolarHBondContact O-N 2.84Å; N112-S114 PolarHBondContact OD1-N 2.94Å; N112-S114 VanDerWaalsContact OD1-N 3.11Å; N112-H115 HydrophobicContact CB-CB 4.12Å; N112-H115 PolarHBondContact O-N 2.87Å; N112-H115 PolarHBondContact OD1-N 3.47Å; N112-S116 WeakPolarHBondContact O-CB 3.33Å; N112-S116 PolarHBondContact O-N 3.43Å; N112-S116 PolarHBondContact O-OG 3.5Å
113Y93.5Very high93.8Very high62 Ų6257.6 Ų57.624%0.24329%0.289CS..Hα-helixtrans-62.1-36.4-177.159.9-96.9000112.3Y98 I100 A106 V110 T117 V161Y98-Y113 HydrophobicContact CE2-CD2 4.02Å; Y98-Y113 HydrophobicContact CE2-CE2 4.03Å; Y98-Y113 WeakPolarHBondContact OH-CE2 3.28Å; I100-Y113 HydrophobicContact CD1-CD2 4.3Å; I100-Y113 HydrophobicContact CD1-CE1 4.09Å; I100-Y113 HydrophobicContact CD1-CE2 3.66Å; I100-Y113 HydrophobicContact CG1-CE2 4.37Å; A106-Y113 HydrophobicContact CB-CD1 4.13Å; V110-Y113 VanDerWaalsContact CG1-CA 3.4Å; Y113-T117 WeakPolarHBondContact O-CB 3.43Å; Y113-T117 PolarHBondContact O-N 3.45Å; Y113-T117 PolarHBondContact O-OG1 3.11Å; Y113-V161 HydrophobicContact CD2-CG2 4.27Å; Y113-V161 HydrophobicContact CG-CG2 4.37Å
114S92.6Very high94Very high43 Ų4357.4 Ų57.430%0.30129%0.288SS..Hα-helixtrans-67.6-43-179.1-169.90000111.3Y98 N112 S118Y98-S114 WeakPolarHBondContact OH-CB 3.41Å; Y98-S114 PolarHBondContact OH-OG 2.78Å; N112-S114 VanDerWaalsContact C-N 3.29Å; N112-S114 PolarHBondContact O-N 2.84Å; N112-S114 PolarHBondContact OD1-N 2.94Å; N112-S114 VanDerWaalsContact OD1-N 3.11Å; S114-S118 WeakPolarHBondContact O-CB 3.35Å; S114-S118 PolarHBondContact O-N 3.4Å; S114-S118 VanDerWaalsContact O-N 3.11Å
115H94.6Very high94.2Very high107 Ų10755.7 Ų55.750%0.49528%0.279SS..Hα-helixtrans-71.8-45.6179.9-17461.6000111.9N112 T117 S118 L119N112-H115 HydrophobicContact CB-CB 4.12Å; N112-H115 PolarHBondContact O-N 2.87Å; N112-H115 PolarHBondContact OD1-N 3.47Å; H115-T117 PolarHBondContact O-N 2.91Å; H115-S118 WeakPolarHBondContact O-CB 3.47Å; H115-S118 PolarHBondContact O-N 3.45Å; H115-L119 PolarHBondContact O-N 3.32Å
116S95.4Very high94.3Very high33 Ų3356.4 Ų56.423%0.23128%0.279CS..Hα-helixtrans-61.9-42.9178.2-65.80000112.2V110 N112 S118 L119 L120V110-S116 WeakPolarHBondContact CG2-OG 3.44Å; N112-S116 WeakPolarHBondContact O-CB 3.33Å; N112-S116 PolarHBondContact O-N 3.43Å; N112-S116 PolarHBondContact O-OG 3.5Å; S116-S118 VanDerWaalsContact C-N 3.32Å; S116-S118 PolarHBondContact O-N 2.87Å; S116-L119 PolarHBondContact O-N 2.87Å; S116-L120 WeakPolarHBondContact O-CB 3.43Å; S116-L120 PolarHBondContact O-N 3.32Å
117T95.3Very high94.4Very high0 Ų061.1 Ų61.10%030%0.304CS..Hα-helixtrans-64.2-36.6174.7-59.80000111.9F75 Y113 H115 L120 A121 T156F75-T117 HydrophobicContact CE1-CG2 4.09Å; F75-T117 HydrophobicContact CZ-CG2 4.01Å; Y113-T117 WeakPolarHBondContact O-CB 3.43Å; Y113-T117 PolarHBondContact O-N 3.45Å; Y113-T117 PolarHBondContact O-OG1 3.11Å; H115-T117 PolarHBondContact O-N 2.91Å; T117-L120 PolarHBondContact O-N 2.97Å; T117-A121 VanDerWaalsContact O-CB 3.3Å; T117-A121 WeakPolarHBondContact O-CB 3.25Å; T117-A121 PolarHBondContact O-N 3.43Å; T117-T156 HydrophobicContact CG2-CG2 3.92Å
118S95.3Very high94.5Very high26 Ų2660 Ų6018%0.18230%0.297CS..Hα-helixtrans-65.6-44.1176.4-177.40000113F75 S114 H115 S116 L120 A121 A122F75-S118 VanDerWaalsContact CE2-CA 3.46Å; S114-S118 WeakPolarHBondContact O-CB 3.35Å; S114-S118 PolarHBondContact O-N 3.4Å; S114-S118 VanDerWaalsContact O-N 3.11Å; H115-S118 WeakPolarHBondContact O-CB 3.47Å; H115-S118 PolarHBondContact O-N 3.45Å; S116-S118 VanDerWaalsContact C-N 3.32Å; S116-S118 PolarHBondContact O-N 2.87Å; S118-L120 VanDerWaalsContact C-N 3.35Å; S118-A121 PolarHBondContact O-N 3.22Å; S118-A122 PolarHBondContact O-N 2.96Å
119L95.6Very high94.6Very high98 Ų9856.1 Ų56.151%0.51328%0.277SS..Hα-helixtrans-63.8-41.3175.2-69.5175.4000112.2H115 S116 A122 T123H115-L119 PolarHBondContact O-N 3.32Å; S116-L119 PolarHBondContact O-N 2.87Å; L119-A122 PolarHBondContact O-N 3.38Å; L119-T123 PolarHBondContact O-N 2.87Å; L119-T123 VanDerWaalsContact O-N 3.12Å; L119-T123 PolarHBondContact O-OG1 2.97Å
120L96.2Very high94.7Very high42 Ų4251.7 Ų51.722%0.2227%0.265CS..Hα-helixtrans-63-45.7175.4-178.361.9000110.7S116 T117 S118 A122 T123 T124 L152 A155 T156 W159S116-L120 WeakPolarHBondContact O-CB 3.43Å; S116-L120 PolarHBondContact O-N 3.32Å; T117-L120 PolarHBondContact O-N 2.97Å; S118-L120 VanDerWaalsContact C-N 3.35Å; L120-A122 VanDerWaalsContact C-N 3.35Å; L120-A122 PolarHBondContact O-N 2.67Å; L120-T123 PolarHBondContact O-N 3.49Å; L120-T123 VanDerWaalsContact O-N 3.1Å; L120-T124 PolarHBondContact O-N 3.36Å; L120-T124 PolarHBondContact O-OG1 3.4Å; L120-T124 VanDerWaalsContact O-OG1 3.08Å; L120-L152 HydrophobicContact CB-CD2 4.48Å; L120-L152 HydrophobicContact CD2-CD2 4.21Å; L120-L152 HydrophobicContact CG-CD2 4Å; L120-A155 HydrophobicContact CD2-CB 3.69Å; L120-T156 HydrophobicContact CD2-CG2 3.94Å; L120-W159 HydrophobicContact CB-CH2 4.41Å; L120-W159 HydrophobicContact CD2-CH2 3.84Å; L120-W159 HydrophobicContact CD2-CZ3 3.87Å
121A96.7Very high94.7Very high0 Ų055 Ų550%029%0.285CS..Hα-helixtrans-58.8-42.8176.700000112.6F75 V77 V96 T117 S118 T123 T124 L125 M148 L152F75-A121 HydrophobicContact CE2-CB 4.29Å; F75-A121 HydrophobicContact CZ-CB 4.21Å; V77-A121 HydrophobicContact CG2-CB 3.76Å; V96-A121 HydrophobicContact CG2-CB 4.05Å; T117-A121 VanDerWaalsContact O-CB 3.3Å; T117-A121 WeakPolarHBondContact O-CB 3.25Å; T117-A121 PolarHBondContact O-N 3.43Å; S118-A121 PolarHBondContact O-N 3.22Å; A121-T123 VanDerWaalsContact C-N 3.3Å; A121-T123 PolarHBondContact O-N 2.89Å; A121-T124 PolarHBondContact O-N 2.84Å; A121-L125 WeakPolarHBondContact O-CB 3.33Å; A121-L125 PolarHBondContact O-N 2.96Å; A121-M148 HydrophobicContact CB-CE 4.25Å; A121-L152 HydrophobicContact CB-CD1 4.12Å; A121-L152 HydrophobicContact CB-CD2 3.91Å
122A96.1Very high95Very high11 Ų1146.8 Ų46.89%0.09125%0.252CS..Hα-helixtrans-61.8-39.1175.400000112.3V77 S118 L119 L120 R126V77-A122 HydrophobicContact CG1-CB 3.99Å; S118-A122 PolarHBondContact O-N 2.96Å; L119-A122 PolarHBondContact O-N 3.38Å; L120-A122 VanDerWaalsContact C-N 3.35Å; L120-A122 PolarHBondContact O-N 2.67Å; A122-R126 PolarHBondContact O-N 2.96Å; A122-R126 VanDerWaalsContact O-N 3.11Å
123T96Very high95.1Very high68 Ų6845.3 Ų45.342%0.41725%0.245SC..Hα-helixtrans-71.4-44.8178.8-53.50000111.6L119 L120 A121 R126 N127L119-T123 PolarHBondContact O-N 2.87Å; L119-T123 VanDerWaalsContact O-N 3.12Å; L119-T123 PolarHBondContact O-OG1 2.97Å; L120-T123 PolarHBondContact O-N 3.49Å; L120-T123 VanDerWaalsContact O-N 3.1Å; A121-T123 VanDerWaalsContact C-N 3.3Å; A121-T123 PolarHBondContact O-N 2.89Å; T123-R126 PolarHBondContact O-N 3.27Å; T123-N127 VanDerWaalsContact O-CG 3.26Å; T123-N127 PolarHBondContact O-N 3.28Å; T123-N127 PolarHBondContact O-ND2 3.31Å
124T96.5Very high95.1Very high10 Ų1042.7 Ų42.76%0.06124%0.235CC..Hα-helixtrans-63.2-42.6176.2-56.80000111.1L120 A121 R126 N127 V128 M148 L152L120-T124 PolarHBondContact O-N 3.36Å; L120-T124 PolarHBondContact O-OG1 3.4Å; L120-T124 VanDerWaalsContact O-OG1 3.08Å; A121-T124 PolarHBondContact O-N 2.84Å; T124-R126 PolarHBondContact O-N 3.35Å; T124-N127 PolarHBondContact O-N 3.02Å; T124-V128 HydrophobicContact CG2-CG2 4.2Å; T124-V128 WeakPolarHBondContact O-CG2 3.15Å; T124-V128 PolarHBondContact O-N 3.43Å; T124-M148 HydrophobicContact CG2-CG 4.14Å; T124-L152 HydrophobicContact CG2-CG 4.33Å
125L95.5Very high95.1Very high1 Ų144.1 Ų44.11%0.00525%0.245CC..Hα-helixtrans-56.3-50.9174.4-177.962.2000110.4V77 Q80 V92 A94 A121 N127 V128 L129 M148V77-L125 HydrophobicContact CG1-CD2 4.08Å; Q80-L125 HydrophobicContact CB-CD2 4.5Å; Q80-L125 HydrophobicContact CG-CD2 4.07Å; V92-L125 HydrophobicContact CG1-CD1 4.35Å; A94-L125 HydrophobicContact CB-CD1 4.48Å; A94-L125 HydrophobicContact CB-CD2 4.21Å; A121-L125 WeakPolarHBondContact O-CB 3.33Å; A121-L125 PolarHBondContact O-N 2.96Å; L125-N127 VanDerWaalsContact C-N 3.33Å; L125-N127 PolarHBondContact O-N 3.11Å; L125-V128 PolarHBondContact O-N 3.5Å; L125-L129 HydrophobicContact CD1-CD1 3.71Å; L125-L129 HydrophobicContact CD1-CD2 4.37Å; L125-L129 HydrophobicContact CD1-CG 3.95Å; L125-L129 HydrophobicContact CG-CD1 3.72Å; L125-L129 HydrophobicContact CG-CG 4.32Å; L125-L129 WeakPolarHBondContact O-CB 3.47Å; L125-L129 WeakPolarHBondContact O-CG 3.42Å; L125-L129 PolarHBondContact O-N 3.41Å; L125-M148 HydrophobicContact CB-CE 3.85Å; L125-M148 HydrophobicContact CB-SD 4.01Å; L125-M148 HydrophobicContact CD1-CE 4.35Å; L125-M148 HydrophobicContact CD1-SD 3.72Å; L125-M148 HydrophobicContact CG-SD 4.46Å
126R95.2Very high95Very high103 Ų10341 Ų4139%0.38923%0.23SC..Hα-helixtrans-56.9-45.2177.1177.3179.3-67.9109.4-0.6112.6V82 A122 T123 T124 G130V82-R126 HydrophobicContact CG1-CG 4.17Å; V82-R126 HydrophobicContact CG2-CB 4.06Å; V82-R126 HydrophobicContact CG2-CG 3.79Å; A122-R126 PolarHBondContact O-N 2.96Å; A122-R126 VanDerWaalsContact O-N 3.11Å; T123-R126 PolarHBondContact O-N 3.27Å; T124-R126 PolarHBondContact O-N 3.35Å; R126-G130 PolarHBondContact O-N 2.95Å; R126-G130 VanDerWaalsContact O-N 3.1Å
127N94.9Very high94.9Very high100 Ų10039.5 Ų39.554%0.53522%0.22SC..Hα-helixtrans-66.1-46.2-178.4-69.6-16.1000112.1T123 T124 L125 G130 T131T123-N127 VanDerWaalsContact O-CG 3.26Å; T123-N127 PolarHBondContact O-N 3.28Å; T123-N127 PolarHBondContact O-ND2 3.31Å; T124-N127 PolarHBondContact O-N 3.02Å; L125-N127 VanDerWaalsContact C-N 3.33Å; L125-N127 PolarHBondContact O-N 3.11Å; N127-G130 PolarHBondContact O-N 3.45Å; N127-T131 PolarHBondContact O-N 2.9Å
128V94.7Very high94.7Very high17 Ų1742.6 Ų42.610%0.10324%0.236CC..Hα-helixtrans-65.2-46.5-179.8175.70000110.3T124 L125 G130 T131 R132 I144T124-V128 HydrophobicContact CG2-CG2 4.2Å; T124-V128 WeakPolarHBondContact O-CG2 3.15Å; T124-V128 PolarHBondContact O-N 3.43Å; L125-V128 PolarHBondContact O-N 3.5Å; V128-G130 VanDerWaalsContact C-N 3.3Å; V128-G130 PolarHBondContact O-N 3.41Å; V128-T131 PolarHBondContact O-N 3.41Å; V128-T131 VanDerWaalsContact O-N 3.1Å; V128-T131 PolarHBondContact O-OG1 2.97Å; V128-R132 WeakPolarHBondContact O-CG 3.29Å; V128-I144 HydrophobicContact CG1-CG2 3.81Å
129L93.9Very high94.5Very high2 Ų246.8 Ų46.81%0.0126%0.261CS..Hα-helixtrans-60.7-37.9179.3-66.4174.9000112.5V82 V92 L125 T131 R132 L137V82-L129 HydrophobicContact CG1-CB 4.36Å; V92-L129 HydrophobicContact CB-CD1 3.58Å; V92-L129 HydrophobicContact CG1-CD1 4.02Å; V92-L129 HydrophobicContact CG1-CD2 4.4Å; V92-L129 HydrophobicContact CG2-CD1 3.71Å; V92-L129 HydrophobicContact CG2-CD2 4.22Å; L125-L129 HydrophobicContact CD1-CD1 3.71Å; L125-L129 HydrophobicContact CD1-CD2 4.37Å; L125-L129 HydrophobicContact CD1-CG 3.95Å; L125-L129 HydrophobicContact CG-CD1 3.72Å; L125-L129 HydrophobicContact CG-CG 4.32Å; L125-L129 WeakPolarHBondContact O-CB 3.47Å; L125-L129 WeakPolarHBondContact O-CG 3.42Å; L125-L129 PolarHBondContact O-N 3.41Å; L129-T131 PolarHBondContact O-N 2.85Å; L129-R132 PolarHBondContact O-N 3.19Å; L129-L137 HydrophobicContact CD2-CD1 4.11Å; L129-L137 HydrophobicContact CD2-CD2 3.34Å; L129-L137 HydrophobicContact CD2-CG 4.34Å
130G94.3Very high94.4Very high31 Ų3146.3 Ų46.332%0.3226%0.256SS..Hα-helixtrans-65.8-20.8177.400000114.4R126 N127 V128R126-G130 PolarHBondContact O-N 2.95Å; R126-G130 VanDerWaalsContact O-N 3.1Å; N127-G130 PolarHBondContact O-N 3.45Å; V128-G130 VanDerWaalsContact C-N 3.3Å; V128-G130 PolarHBondContact O-N 3.41Å
131T94.8Very high94.2Very high89 Ų8948 Ų4855%0.54626%0.259SS..THydrogen-bonded Turntrans-90.5-6.8177.464.70000113.9N127 V128 L129N127-T131 PolarHBondContact O-N 2.9Å; V128-T131 PolarHBondContact O-N 3.41Å; V128-T131 VanDerWaalsContact O-N 3.1Å; V128-T131 PolarHBondContact O-OG1 2.97Å; L129-T131 PolarHBondContact O-N 2.85Å
132R95.4Very high94.1Very high66 Ų6656 Ų5625%0.24930%0.297CS..SBendtrans-110.8150-172.5-63.7-69176172.83.7111.5K85 V128 L129 E136 L137 I144K85-R132 WeakPolarHBondContact CB-O 3.34Å; K85-R132 PolarHBondContact N-O 2.88Å; V128-R132 WeakPolarHBondContact O-CG 3.29Å; L129-R132 PolarHBondContact O-N 3.19Å; R132-E136 WeakPolarHBondContact CD-OE2 3.46Å; R132-E136 IonicContact CZ-OE2 2.88Å; R132-E136 IonicContact NE-OE2 2.68Å; R132-E136 IonicContact NH1-OE2 2.56Å; R132-E136 PolarHBondContact NH1-OE2 2.88Å; R132-L137 HydrophobicContact CB-CD2 3.73Å; R132-L137 HydrophobicContact CB-CG 4.35Å; R132-L137 HydrophobicContact CG-CD2 4.45Å; R132-I144 HydrophobicContact CG-CG1 4.44Å
133N95.7Very high94Very high42 Ų4258.4 Ų58.423%0.22531%0.31CS..  trans-82.7156.5175.2-58.6-50.3000110.5K85 S135 E136 L137K85-N133 WeakPolarHBondContact CD-OD1 3.37Å; N133-S135 VanDerWaalsContact C-N 3.27Å; N133-S135 PolarHBondContact O-N 3.48Å; N133-E136 PolarHBondContact ND2-OE1 2.99Å; N133-E136 PolarHBondContact O-N 2.86Å; N133-E136 VanDerWaalsContact O-N 3.17Å; N133-L137 WeakPolarHBondContact O-CG 3.45Å; N133-L137 PolarHBondContact O-N 3.43Å; N133-L137 VanDerWaalsContact O-N 3.12Å
134L93Very high93.9Very high8 Ų855.1 Ų55.14%0.04229%0.29CS..Hα-helixtrans-55.3-41.2177.6175.460.3000113.2D86 V88 V90 E136 L137 L138 L173 M181D86-L134 PolarHBondContact OD1-N 3.28Å; D86-L134 VanDerWaalsContact OD1-N 3.15Å; D86-L134 WeakPolarHBondContact OD2-CB 3.42Å; D86-L134 PolarHBondContact OD2-N 2.98Å; D86-L134 VanDerWaalsContact OD2-N 3.16Å; V88-L134 HydrophobicContact CG1-CD2 4.21Å; V88-L134 HydrophobicContact CG2-CD2 4.36Å; V90-L134 HydrophobicContact CG1-CD1 3.86Å; L134-E136 PolarHBondContact O-N 3.49Å; L134-L137 WeakPolarHBondContact O-CB 3.38Å; L134-L137 PolarHBondContact O-N 3.44Å; L134-L138 HydrophobicContact CD1-CD1 4.06Å; L134-L138 HydrophobicContact CD1-CG 4.15Å; L134-L138 HydrophobicContact CG-CD1 4.12Å; L134-L138 WeakPolarHBondContact O-CG 3.3Å; L134-L138 PolarHBondContact O-N 3.15Å; L134-L138 VanDerWaalsContact O-N 3.13Å; L134-L173 HydrophobicContact CD1-CD2 3.68Å; L134-L173 HydrophobicContact CD1-CG 4.49Å; L134-L173 HydrophobicContact CD2-CD2 3.97Å; L134-L173 HydrophobicContact CG-CD2 4.49Å; L134-M181 HydrophobicContact CD2-CE 3.8Å; L134-M181 HydrophobicContact CD2-SD 3.77Å
135S92.2Very high93.9Very high73 Ų7355.4 Ų55.451%0.5129%0.293SS..Hα-helixtrans-58.4-47.4178.853.30000111.7N133 L137 L138 T139N133-S135 VanDerWaalsContact C-N 3.27Å; N133-S135 PolarHBondContact O-N 3.48Å; S135-L137 VanDerWaalsContact C-N 3.32Å; S135-L137 PolarHBondContact O-N 3.11Å; S135-L138 PolarHBondContact O-N 3.17Å; S135-L138 VanDerWaalsContact O-N 3.09Å; S135-T139 PolarHBondContact O-N 3.32Å; S135-T139 PolarHBondContact O-OG1 2.93Å
136E93.4Very high93.9Very high40 Ų4060.2 Ų60.219%0.18732%0.315CS..Hα-helixtrans-61.1-39.6176.8-68.7171.3-138.200111.5R132 N133 L134 L138 T139 E140R132-E136 WeakPolarHBondContact CD-OE2 3.46Å; R132-E136 IonicContact CZ-OE2 2.88Å; R132-E136 IonicContact NE-OE2 2.68Å; R132-E136 IonicContact NH1-OE2 2.56Å; R132-E136 PolarHBondContact NH1-OE2 2.88Å; N133-E136 PolarHBondContact ND2-OE1 2.99Å; N133-E136 PolarHBondContact O-N 2.86Å; N133-E136 VanDerWaalsContact O-N 3.17Å; L134-E136 PolarHBondContact O-N 3.49Å; E136-L138 PolarHBondContact O-N 3.41Å; E136-T139 PolarHBondContact O-N 2.95Å; E136-E140 CarbonylContact O-C 3.57Å; E136-E140 WeakPolarHBondContact O-CA 3.47Å; E136-E140 WeakPolarHBondContact O-CB 3.09Å; E136-E140 PolarHBondContact O-N 3.48Å
137L92.4Very high94Very high2 Ų257.5 Ų57.51%0.0131%0.31CS..Hα-helixtrans-62.6-30.1176.1-61.1-175.8000112.8V90 L129 R132 N133 L134 S135 R141 I144V90-L137 HydrophobicContact CG2-CD1 3.98Å; L129-L137 HydrophobicContact CD2-CD1 4.11Å; L129-L137 HydrophobicContact CD2-CD2 3.34Å; L129-L137 HydrophobicContact CD2-CG 4.34Å; R132-L137 HydrophobicContact CB-CD2 3.73Å; R132-L137 HydrophobicContact CB-CG 4.35Å; R132-L137 HydrophobicContact CG-CD2 4.45Å; N133-L137 WeakPolarHBondContact O-CG 3.45Å; N133-L137 PolarHBondContact O-N 3.43Å; N133-L137 VanDerWaalsContact O-N 3.12Å; L134-L137 WeakPolarHBondContact O-CB 3.38Å; L134-L137 PolarHBondContact O-N 3.44Å; S135-L137 VanDerWaalsContact C-N 3.32Å; S135-L137 PolarHBondContact O-N 3.11Å; L137-R141 WeakPolarHBondContact O-CG 3.47Å; L137-I144 HydrophobicContact CD2-CD1 3.54Å
138L90.1Very high94Very high66 Ų6652.8 Ų52.835%0.34629%0.285SS..Hα-helixtrans-87.6-38.3-179.8-65.3175.6000112.5L134 S135 E136 V171L134-L138 HydrophobicContact CD1-CD1 4.06Å; L134-L138 HydrophobicContact CD1-CG 4.15Å; L134-L138 HydrophobicContact CG-CD1 4.12Å; L134-L138 WeakPolarHBondContact O-CG 3.3Å; L134-L138 PolarHBondContact O-N 3.15Å; L134-L138 VanDerWaalsContact O-N 3.13Å; S135-L138 PolarHBondContact O-N 3.17Å; S135-L138 VanDerWaalsContact O-N 3.09Å; E136-L138 PolarHBondContact O-N 3.41Å; L138-V171 HydrophobicContact CD2-CB 4.38Å; L138-V171 HydrophobicContact CD2-CG1 4.15Å
139T91.8Very high94.2Very high114 Ų11453.9 Ų53.970%0.69929%0.289SS*.Hα-helixtrans-99.3-34.2-173.756.40000114.4S135 E136S135-T139 PolarHBondContact O-N 3.32Å; S135-T139 PolarHBondContact O-OG1 2.93Å; E136-T139 PolarHBondContact O-N 2.95Å
140E93.8Very high94.3Very high87 Ų8758.2 Ų58.241%0.40731%0.31SS..  trans-110.142.3-171-59.8-171.6-170.900112.7E136 E142 T143 I144E136-E140 CarbonylContact O-C 3.57Å; E136-E140 WeakPolarHBondContact O-CA 3.47Å; E136-E140 WeakPolarHBondContact O-CB 3.09Å; E136-E140 PolarHBondContact O-N 3.48Å; E140-E142 PolarHBondContact O-N 3.46Å; E140-T143 HydrophobicContact CB-CG2 4.35Å; E140-T143 WeakPolarHBondContact CB-OG1 3.43Å; E140-T143 PolarHBondContact O-N 3.49Å; E140-T143 PolarHBondContact O-OG1 2.91Å; E140-I144 PolarHBondContact O-N 2.92Å
141R92.4Very high94.4Very high77 Ų7759.3 Ų59.329%0.29131%0.313SS..Hα-helixtrans-57.9-34.1-177.2-66.3-177.2-179-145.50.7113.5L137 S145 I168 K169L137-R141 WeakPolarHBondContact O-CG 3.47Å; R141-S145 VanDerWaalsContact O-CB 3.29Å; R141-S145 WeakPolarHBondContact O-CB 3.18Å; R141-S145 PolarHBondContact O-N 3.31Å; R141-S145 PolarHBondContact O-OG 3.29Å; R141-I168 HydrophobicContact CB-CD1 4.32Å; R141-K169 PolarHBondContact NH1-O 3.08Å
142E93.4Very high94.5Very high169 Ų16955.1 Ų55.179%0.7929%0.287SS*.Hα-helixtrans-67-40.8179.7-65.6-174.7168.800112.4E140 S145 H146E140-E142 PolarHBondContact O-N 3.46Å; E142-S145 PolarHBondContact O-N 2.97Å; E142-H146 WeakPolarHBondContact O-CB 3.46Å; E142-H146 PolarHBondContact O-N 2.85Å
143T94.5Very high94.6Very high61 Ų6153 Ų5337%0.37428%0.281SS..Hα-helixtrans-68.7-38.6-178.769.30000110.9E140 T147E140-T143 HydrophobicContact CB-CG2 4.35Å; E140-T143 WeakPolarHBondContact CB-OG1 3.43Å; E140-T143 PolarHBondContact O-N 3.49Å; E140-T143 PolarHBondContact O-OG1 2.91Å; T143-T147 WeakPolarHBondContact O-CB 3.44Å; T143-T147 PolarHBondContact O-N 3.3Å; T143-T147 PolarHBondContact O-OG1 3.13Å
144I94.9Very high94.6Very high0 Ų058.3 Ų58.30%030%0.304CS..Hα-helixtrans-65.4-46.7175.2-61.5160.5000110.1V128 R132 L137 E140 H146 T147 M148 I168V128-I144 HydrophobicContact CG1-CG2 3.81Å; R132-I144 HydrophobicContact CG-CG1 4.44Å; L137-I144 HydrophobicContact CD2-CD1 3.54Å; E140-I144 PolarHBondContact O-N 2.92Å; I144-H146 VanDerWaalsContact C-N 3.34Å; I144-H146 PolarHBondContact O-N 2.74Å; I144-T147 PolarHBondContact O-N 3.09Å; I144-M148 WeakPolarHBondContact O-CB 3.26Å; I144-M148 PolarHBondContact O-N 2.98Å; I144-I168 HydrophobicContact CB-CD1 3.86Å; I144-I168 HydrophobicContact CG2-CD1 3.65Å
145S95.6Very high94.8Very high16 Ų1659.9 Ų59.911%0.11232%0.319CS..Hα-helixtrans-59.2-44178-62.60000111.8R141 E142 M148 Q149 V166R141-S145 VanDerWaalsContact O-CB 3.29Å; R141-S145 WeakPolarHBondContact O-CB 3.18Å; R141-S145 PolarHBondContact O-N 3.31Å; R141-S145 PolarHBondContact O-OG 3.29Å; E142-S145 PolarHBondContact O-N 2.97Å; S145-M148 PolarHBondContact O-N 2.86Å; S145-Q149 VanDerWaalsContact O-CB 3.32Å; S145-Q149 WeakPolarHBondContact O-CB 3.29Å; S145-Q149 PolarHBondContact O-N 3.3Å; S145-V166 WeakPolarHBondContact CB-O 3.06Å
146H96.1Very high95Very high101 Ų10156.4 Ų56.447%0.46829%0.294SS..Hα-helixtrans-65.5-43.4176.2-177.3-89.2000112.4E142 I144 M148 Q149 M150E142-H146 WeakPolarHBondContact O-CB 3.46Å; E142-H146 PolarHBondContact O-N 2.85Å; I144-H146 VanDerWaalsContact C-N 3.34Å; I144-H146 PolarHBondContact O-N 2.74Å; H146-M148 VanDerWaalsContact C-N 3.33Å; H146-M148 PolarHBondContact O-N 2.8Å; H146-Q149 PolarHBondContact O-N 3.03Å; H146-M150 PolarHBondContact CE1-SD 2.8Å; H146-M150 WeakPolarHBondContact O-CG 3.46Å; H146-M150 PolarHBondContact O-N 2.99Å
147T96.3Very high95.1Very high47 Ų4757.7 Ų57.729%0.28830%0.302SS..Hα-helixtrans-60.6-44.6176.5-56.10000111.2T143 I144 S151T143-T147 WeakPolarHBondContact O-CB 3.44Å; T143-T147 PolarHBondContact O-N 3.3Å; T143-T147 PolarHBondContact O-OG1 3.13Å; I144-T147 PolarHBondContact O-N 3.09Å; T147-S151 PolarHBondContact O-N 3.2Å; T147-S151 VanDerWaalsContact O-N 3.12Å
148M96.2Very high95.2Very high1 Ų161.2 Ų61.21%0.00533%0.325CS..Hα-helixtrans-65.5-41.2176.9179.1168.1168.100111.6V96 A121 T124 L125 I144 S145 H146 S151 L152 V166V96-M148 HydrophobicContact CG2-CE 4.46Å; A121-M148 HydrophobicContact CB-CE 4.25Å; T124-M148 HydrophobicContact CG2-CG 4.14Å; L125-M148 HydrophobicContact CB-CE 3.85Å; L125-M148 HydrophobicContact CB-SD 4.01Å; L125-M148 HydrophobicContact CD1-CE 4.35Å; L125-M148 HydrophobicContact CD1-SD 3.72Å; L125-M148 HydrophobicContact CG-SD 4.46Å; I144-M148 WeakPolarHBondContact O-CB 3.26Å; I144-M148 PolarHBondContact O-N 2.98Å; S145-M148 PolarHBondContact O-N 2.86Å; H146-M148 VanDerWaalsContact C-N 3.33Å; H146-M148 PolarHBondContact O-N 2.8Å; M148-S151 PolarHBondContact O-N 3.45Å; M148-L152 HydrophobicContact CE-CD1 3.58Å; M148-L152 HydrophobicContact CG-CD1 3.59Å; M148-L152 VanDerWaalsContact O-CB 3.31Å; M148-L152 WeakPolarHBondContact O-CB 3.43Å; M148-L152 PolarHBondContact O-N 2.68Å; M148-L152 HydrophobicContact SD-CD1 4.46Å; M148-V166 HydrophobicContact CE-CG1 3.86Å; M148-V166 HydrophobicContact CG-CG1 4.04Å; M148-V166 HydrophobicContact CG-CG2 4.34Å; M148-V166 HydrophobicContact SD-CG1 3.76Å
149Q97.3Very high95.5Very high39 Ų3960.8 Ų60.818%0.18232%0.319CS..Hα-helixtrans-59.8-48.7176.1-179.6-106.8-32.300111.7S145 H146 S151 L152 D153 V163 V166S145-Q149 VanDerWaalsContact O-CB 3.32Å; S145-Q149 WeakPolarHBondContact O-CB 3.29Å; S145-Q149 PolarHBondContact O-N 3.3Å; H146-Q149 PolarHBondContact O-N 3.03Å; Q149-S151 PolarHBondContact O-N 2.88Å; Q149-L152 PolarHBondContact O-N 2.71Å; Q149-D153 WeakPolarHBondContact O-CB 3.35Å; Q149-D153 PolarHBondContact O-N 2.95Å; Q149-V163 HydrophobicContact CG-CG1 4.18Å; Q149-V163 PolarHBondContact NE2-O 2.49Å; Q149-V166 HydrophobicContact CB-CB 4.41Å; Q149-V166 HydrophobicContact CB-CG2 3.95Å
150M97.1Very high95.7Very high94 Ų9455.4 Ų55.446%0.46329%0.286SS..Hα-helixtrans-60.2-46.5177.1-69.3-168.9-6100112.4H146 L152 D153 E154H146-M150 PolarHBondContact CE1-SD 2.8Å; H146-M150 WeakPolarHBondContact O-CG 3.46Å; H146-M150 PolarHBondContact O-N 2.99Å; M150-L152 VanDerWaalsContact C-N 3.35Å; M150-L152 PolarHBondContact O-N 2.98Å; M150-D153 PolarHBondContact O-N 3.35Å; M150-E154 PolarHBondContact O-N 3.26Å; M150-E154 VanDerWaalsContact O-N 3.09Å
151S96.4Very high95.8Very high54 Ų5451.3 Ų51.338%0.37827%0.267SS..Hα-helixtrans-66.3-36.6-179.1178.80000112.7T147 M148 Q149 A155T147-S151 PolarHBondContact O-N 3.2Å; T147-S151 VanDerWaalsContact O-N 3.12Å; M148-S151 PolarHBondContact O-N 3.45Å; Q149-S151 PolarHBondContact O-N 2.88Å; S151-A155 WeakPolarHBondContact O-CB 3.36Å; S151-A155 PolarHBondContact O-N 2.82Å
152L96.6Very high96Very high0 Ų050.7 Ų50.70%027%0.266CS..Hα-helixtrans-69.6-47.5175.3-89.2156.1000111.6L120 A121 T124 M148 Q149 M150 E154 A155 T156 V163 V166L120-L152 HydrophobicContact CB-CD2 4.48Å; L120-L152 HydrophobicContact CD2-CD2 4.21Å; L120-L152 HydrophobicContact CG-CD2 4Å; A121-L152 HydrophobicContact CB-CD1 4.12Å; A121-L152 HydrophobicContact CB-CD2 3.91Å; T124-L152 HydrophobicContact CG2-CG 4.33Å; M148-L152 HydrophobicContact CE-CD1 3.58Å; M148-L152 HydrophobicContact CG-CD1 3.59Å; M148-L152 VanDerWaalsContact O-CB 3.31Å; M148-L152 WeakPolarHBondContact O-CB 3.43Å; M148-L152 PolarHBondContact O-N 2.68Å; M148-L152 HydrophobicContact SD-CD1 4.46Å; Q149-L152 PolarHBondContact O-N 2.71Å; M150-L152 VanDerWaalsContact C-N 3.35Å; M150-L152 PolarHBondContact O-N 2.98Å; L152-E154 PolarHBondContact O-N 3.18Å; L152-A155 PolarHBondContact O-N 3.42Å; L152-A155 VanDerWaalsContact O-N 3.14Å; L152-T156 WeakPolarHBondContact O-CB 3.01Å; L152-T156 VanDerWaalsContact O-CG2 3.3Å; L152-T156 WeakPolarHBondContact O-CG2 3.46Å; L152-T156 PolarHBondContact O-N 3.17Å; L152-T156 PolarHBondContact O-OG1 2.89Å; L152-V163 HydrophobicContact CB-CG1 4.48Å; L152-V163 HydrophobicContact CB-CG2 4.18Å; L152-V166 HydrophobicContact CD1-CG2 4.03Å
153D97.2Very high96.2Very high22 Ų2242.6 Ų42.612%0.11823%0.229CC..Hα-helixtrans-57.9-46.8-178.2-171.650.9000111.7Q149 M150 A155 T156 D157 K162 V163Q149-D153 WeakPolarHBondContact O-CB 3.35Å; Q149-D153 PolarHBondContact O-N 2.95Å; M150-D153 PolarHBondContact O-N 3.35Å; D153-A155 VanDerWaalsContact C-N 3.31Å; D153-A155 PolarHBondContact O-N 3.12Å; D153-T156 PolarHBondContact O-N 2.92Å; D153-T156 PolarHBondContact O-OG1 3.03Å; D153-D157 VanDerWaalsContact O-CG 3.23Å; D153-D157 PolarHBondContact O-N 2.9Å; D153-K162 VanDerWaalsContact OD1-CD 3.24Å; D153-K162 WeakPolarHBondContact OD1-CD 3.25Å; D153-K162 WeakPolarHBondContact OD1-CE 3.09Å; D153-K162 IonicContact OD1-NZ 2.9Å; D153-K162 PolarHBondContact OD1-NZ 3.19Å; D153-K162 WeakPolarHBondContact OD2-CE 3.5Å; D153-K162 IonicContact OD2-NZ 3.23Å; D153-K162 PolarHBondContact OD2-NZ 3.16Å; D153-V163 HydrophobicContact CB-CB 4.22Å; D153-V163 PolarHBondContact OD1-N 3.15Å
154E97Very high96.3Very high153 Ų15343.6 Ų43.672%0.71523%0.229SC*.Hα-helixtrans-59.8-40.7176.1-176.7178.2-175.200112.3M150 L152M150-E154 PolarHBondContact O-N 3.26Å; M150-E154 VanDerWaalsContact O-N 3.09Å; L152-E154 PolarHBondContact O-N 3.18Å
155A95.9Very high96.4Very high42 Ų4249.3 Ų49.335%0.34725%0.25SS..Hα-helixtrans-78.4-24.8-178.800000113.4L120 S151 L152 D153 P158L120-A155 HydrophobicContact CD2-CB 3.69Å; S151-A155 WeakPolarHBondContact O-CB 3.36Å; S151-A155 PolarHBondContact O-N 2.82Å; L152-A155 PolarHBondContact O-N 3.42Å; L152-A155 VanDerWaalsContact O-N 3.14Å; D153-A155 VanDerWaalsContact C-N 3.31Å; D153-A155 PolarHBondContact O-N 3.12Å; A155-P158 WeakPolarHBondContact O-CD 3.25Å
156T96.2Very high96.5Very high0 Ų048.8 Ų48.80%025%0.247CC..Hα-helixtrans-93.7-14.6-18059.30000114.1T117 L120 L152 D153 P158 W159 G160 V161 V163T117-T156 HydrophobicContact CG2-CG2 3.92Å; L120-T156 HydrophobicContact CD2-CG2 3.94Å; L152-T156 WeakPolarHBondContact O-CB 3.01Å; L152-T156 VanDerWaalsContact O-CG2 3.3Å; L152-T156 WeakPolarHBondContact O-CG2 3.46Å; L152-T156 PolarHBondContact O-N 3.17Å; L152-T156 PolarHBondContact O-OG1 2.89Å; D153-T156 PolarHBondContact O-N 2.92Å; D153-T156 PolarHBondContact O-OG1 3.03Å; T156-P158 VanDerWaalsContact C-CD 3.44Å; T156-W159 HydrophobicContact CG2-CE3 3.98Å; T156-W159 HydrophobicContact CG2-CZ3 4.01Å; T156-W159 WeakPolarHBondContact O-CA 3.32Å; T156-W159 WeakPolarHBondContact O-CB 3.4Å; T156-W159 PolarHBondContact O-N 2.78Å; T156-G160 PolarHBondContact O-N 3.49Å; T156-V161 CarbonylContact C-O 3.5Å; T156-V161 PolarHBondContact O-N 3.06Å; T156-V161 PolarHBondContact OG1-O 2.87Å; T156-V163 HydrophobicContact CG2-CG2 4.44Å
157D95.9Very high96.5Very high67 Ų6747.3 Ų47.336%0.35824%0.24SC..G310 helixtrans-52.8-40.9176.4-89.1-17.8000114.3D153 W159 G160D153-D157 VanDerWaalsContact O-CG 3.23Å; D153-D157 PolarHBondContact O-N 2.9Å; D157-W159 PolarHBondContact O-N 2.93Å; D157-G160 PolarHBondContact O-N 2.69Å
158P95.6Very high96.4Very high75 Ų7546.1 Ų46.149%0.48723%0.232SC..G310 helixtrans-61.4-27.6174.8-24.535.5000113.5A155 T156 G160A155-P158 WeakPolarHBondContact O-CD 3.25Å; T156-P158 VanDerWaalsContact C-CD 3.44Å; P158-G160 VanDerWaalsContact C-N 3.31Å
159W95.9Very high96.2Very high58 Ų5851.7 Ų51.722%0.2226%0.256CS..G310 helixtrans-85.7-1.3176.7-52.6-25.8000112.7K105 A106 V110 L120 T156 D157 V161K105-W159 CarbonylContact C-O 3.38Å; A106-W159 WeakPolarHBondContact CA-O 3.48Å; A106-W159 PolarHBondContact N-O 3.42Å; V110-W159 HydrophobicContact CB-CG 4.17Å; V110-W159 HydrophobicContact CG1-CB 4.35Å; V110-W159 HydrophobicContact CG1-CG 4.31Å; V110-W159 HydrophobicContact CG2-CD2 4.38Å; L120-W159 HydrophobicContact CB-CH2 4.41Å; L120-W159 HydrophobicContact CD2-CH2 3.84Å; L120-W159 HydrophobicContact CD2-CZ3 3.87Å; T156-W159 HydrophobicContact CG2-CE3 3.98Å; T156-W159 HydrophobicContact CG2-CZ3 4.01Å; T156-W159 WeakPolarHBondContact O-CA 3.32Å; T156-W159 WeakPolarHBondContact O-CB 3.4Å; T156-W159 PolarHBondContact O-N 2.78Å; D157-W159 PolarHBondContact O-N 2.93Å; W159-V161 HydrophobicContact CB-CG2 4.49Å; W159-V161 PolarHBondContact O-N 2.92Å
160G94.5Very high95.9Very high1 Ų153.5 Ų53.51%0.0127%0.267CS..THydrogen-bonded Turntrans69.822.1-177.100000113.6S101 D102 T156 D157 P158S101-G160 PolarHBondContact N-O 3.44Å; S101-G160 PolarHBondContact OG-O 2.95Å; S101-G160 VanDerWaalsContact OG-O 3.12Å; D102-G160 PolarHBondContact N-O 3.15Å; T156-G160 PolarHBondContact O-N 3.49Å; D157-G160 PolarHBondContact O-N 2.69Å; P158-G160 VanDerWaalsContact C-N 3.31Å
161V96.8Very high95.7Very high0 Ų049.6 Ų49.60%025%0.248CC..EExtended strand (participates in β ladder)trans-104.2124.9175.3170.50000108.4Y98 Y113 T156 W159Y98-V161 HydrophobicContact CD2-CG1 3.51Å; Y98-V161 HydrophobicContact CE2-CG1 4.23Å; Y98-V161 HydrophobicContact CG-CG1 3.98Å; Y113-V161 HydrophobicContact CD2-CG2 4.27Å; Y113-V161 HydrophobicContact CG-CG2 4.37Å; T156-V161 CarbonylContact C-O 3.5Å; T156-V161 PolarHBondContact O-N 3.06Å; T156-V161 PolarHBondContact OG1-O 2.87Å; W159-V161 HydrophobicContact CB-CG2 4.49Å; W159-V161 PolarHBondContact O-N 2.92Å
162K97Very high95.4Very high64 Ų6449.8 Ų49.828%0.27825%0.25SC..EExtended strand (participates in β ladder)trans-101.7121.8176.2-172.775.9-165.6159.80109.4Y98 R99 D153Y98-K162 CarbonylContact C-O 3.33Å; Y98-K162 VanDerWaalsContact CA-O 3.25Å; Y98-K162 WeakPolarHBondContact CA-O 3.34Å; Y98-K162 WeakPolarHBondContact CB-O 3.22Å; R99-K162 HydrophobicContact CG-CB 4.31Å; R99-K162 PolarHBondContact N-O 2.87Å; R99-K162 PolarHBondContact O-N 3.35Å; D153-K162 VanDerWaalsContact OD1-CD 3.24Å; D153-K162 WeakPolarHBondContact OD1-CD 3.25Å; D153-K162 WeakPolarHBondContact OD1-CE 3.09Å; D153-K162 IonicContact OD1-NZ 2.9Å; D153-K162 PolarHBondContact OD1-NZ 3.19Å; D153-K162 WeakPolarHBondContact OD2-CE 3.5Å; D153-K162 IonicContact OD2-NZ 3.23Å; D153-K162 PolarHBondContact OD2-NZ 3.16Å
163V97.9Very high95.2Very high0 Ų051.2 Ų51.20%026%0.257CS..EExtended strand (participates in β ladder)trans-90.2113.9175.6-179.60000108.8V96 Q149 L152 D153 T156 V166V96-V163 HydrophobicContact CG1-CG1 3.87Å; Q149-V163 HydrophobicContact CG-CG1 4.18Å; Q149-V163 PolarHBondContact NE2-O 2.49Å; L152-V163 HydrophobicContact CB-CG1 4.48Å; L152-V163 HydrophobicContact CB-CG2 4.18Å; D153-V163 HydrophobicContact CB-CB 4.22Å; D153-V163 PolarHBondContact OD1-N 3.15Å; T156-V163 HydrophobicContact CG2-CG2 4.44Å; V163-V166 HydrophobicContact CG1-CG2 3.97Å
164E96.2Very high94.9Very high81 Ų8153 Ų5338%0.37927%0.27SS..EExtended strand (participates in β ladder)trans-85-40.3-175.8-60.8-166.8135.600111.6T72 Y97 R99T72-E164 WeakPolarHBondContact CB-OE2 3.46Å; T72-E164 WeakPolarHBondContact CG2-OE2 3.34Å; T72-E164 PolarHBondContact OG1-OE2 3.11Å; Y97-E164 PolarHBondContact O-N 3.32Å; R99-E164 WeakPolarHBondContact CD-OE1 3.29Å; R99-E164 HydrophobicContact CG-CG 4.16Å; R99-E164 IonicContact NE-OE1 3.2Å; R99-E164 PolarHBondContact NE-OE1 2.92Å
165R96.4Very high94.7Very high120 Ų12050.1 Ų50.145%0.45326%0.263SS..EExtended strand (participates in β ladder)trans-157.2148.7-178.8-169.4164.269.9-112.33.5111.3Y97 E167Y97-R165 HydrophobicContact CD2-CB 4.19Å; Y97-R165 PolarHBondContact N-O 2.98Å; Y97-R165 PolarHBondContact O-N 3.04Å; R165-E167 HydrophobicContact CG-CG 4.23Å; R165-E167 IonicContact CZ-OE1 3.8Å; R165-E167 IonicContact NE-OE1 2.91Å; R165-E167 PolarHBondContact NE-OE1 3.23Å; R165-E167 IonicContact NH2-OE1 3.86Å; R165-E167 PolarHBondContact NH2-OE1 2.92Å
166V97.6Very high94.5Very high5 Ų551.7 Ų51.73%0.0328%0.276CS..EExtended strand (participates in β ladder)trans-120.4137.7166-178.20000107.3V95 V96 S145 M148 Q149 L152 V163V95-V166 WeakPolarHBondContact O-CA 3.41Å; V96-V166 HydrophobicContact CG1-CG2 4.37Å; V96-V166 HydrophobicContact CG2-CG1 4.31Å; V96-V166 HydrophobicContact CG2-CG2 4.22Å; S145-V166 WeakPolarHBondContact CB-O 3.06Å; M148-V166 HydrophobicContact CE-CG1 3.86Å; M148-V166 HydrophobicContact CG-CG1 4.04Å; M148-V166 HydrophobicContact CG-CG2 4.34Å; M148-V166 HydrophobicContact SD-CG1 3.76Å; Q149-V166 HydrophobicContact CB-CB 4.41Å; Q149-V166 HydrophobicContact CB-CG2 3.95Å; L152-V166 HydrophobicContact CD1-CG2 4.03Å; V163-V166 HydrophobicContact CG1-CG2 3.97Å
167E95.9Very high94.3Very high71 Ų7154.5 Ų54.533%0.33229%0.291SS..EExtended strand (participates in β ladder)trans-126.1125.2176.5-71.9174.5-176.300109A94 V95 Y97 R165A94-E167 CarbonylContact C-O 3.59Å; A94-E167 VanDerWaalsContact CA-O 3.25Å; A94-E167 WeakPolarHBondContact CA-O 3.32Å; A94-E167 WeakPolarHBondContact CB-O 3.48Å; V95-E167 PolarHBondContact N-O 3.17Å; V95-E167 PolarHBondContact O-N 2.99Å; Y97-E167 HydrophobicContact CE2-CB 4.39Å; Y97-E167 VanDerWaalsContact CE2-CD 3.48Å; Y97-E167 HydrophobicContact CE2-CG 4Å; Y97-E167 WeakPolarHBondContact CE2-OE2 3.45Å; Y97-E167 PolarHBondContact OH-OE2 3.1Å; R165-E167 HydrophobicContact CG-CG 4.23Å; R165-E167 IonicContact CZ-OE1 3.8Å; R165-E167 IonicContact NE-OE1 2.91Å; R165-E167 PolarHBondContact NE-OE1 3.23Å; R165-E167 IonicContact NH2-OE1 3.86Å; R165-E167 PolarHBondContact NH2-OE1 2.92Å
168I94.9Very high94.1Very high22 Ų2256.5 Ų56.511%0.11330%0.298CS..EExtended strand (participates in β ladder)trans-75.7126.1170.4-60.5168.3000108V92 R141 I144 V171V92-I168 HydrophobicContact CG1-CG2 3.83Å; R141-I168 HydrophobicContact CB-CD1 4.32Å; I144-I168 HydrophobicContact CB-CD1 3.86Å; I144-I168 HydrophobicContact CG2-CD1 3.65Å; I168-V171 HydrophobicContact CG2-CG2 4.01Å
169K92.3Very high94.1Very high117 Ų11761.9 Ų61.951%0.50931%0.309SS..EExtended strand (participates in β ladder)trans-89.7-72.4-173.8177.9175174.8-171.30110.6D76 D93 V95 R141D76-K169 IonicContact OD1-NZ 2.83Å; D76-K169 PolarHBondContact OD1-NZ 3.48Å; D93-K169 PolarHBondContact O-N 2.9Å; D93-K169 WeakPolarHBondContact OD1-CB 3.29Å; D93-K169 WeakPolarHBondContact OD2-CD 3.48Å; D93-K169 IonicContact OD2-NZ 2.78Å; V95-K169 HydrophobicContact CG2-CD 4.24Å; R141-K169 PolarHBondContact NH1-O 3.08Å
170D89.9Confident93.9Very high77 Ų7761.9 Ų61.941%0.41232%0.321SS..EExtended strand (participates in β ladder)trans-126.3150.7176.6-168.634.3000112.8V92 D93 S172V92-D170 WeakPolarHBondContact CA-O 3.36Å; D93-D170 PolarHBondContact N-O 2.85Å; D93-D170 WeakPolarHBondContact OD1-CA 3.32Å; D93-D170 PolarHBondContact OD1-N 3.31Å; D170-S172 PolarHBondContact OD2-OG 3.27Å
171V92.6Very high93.8Very high13 Ų1365 Ų658%0.07934%0.336CS..EExtended strand (participates in β ladder)trans-124.297.8173.4179.70000106.8V92 L138 I168V92-V171 HydrophobicContact CG1-CG2 4.24Å; V92-V171 HydrophobicContact CG2-CB 4.42Å; V92-V171 HydrophobicContact CG2-CG1 4.09Å; V92-V171 HydrophobicContact CG2-CG2 4.1Å; L138-V171 HydrophobicContact CD2-CB 4.38Å; L138-V171 HydrophobicContact CD2-CG1 4.15Å; I168-V171 HydrophobicContact CG2-CG2 4.01Å
172S91.9Very high93.6Very high58 Ų5867.8 Ų67.841%0.40636%0.359SS..EExtended strand (participates in β ladder)trans-93.3127.1-177.6-87.60000110.8T91 D170T91-S172 PolarHBondContact N-O 2.98Å; T91-S172 PolarHBondContact O-N 2.63Å; D170-S172 PolarHBondContact OD2-OG 3.27Å
173L92Very high93.6Very high29 Ų2967.7 Ų67.715%0.15237%0.37CS..PPolyproline II helixtrans-103.6150.8178.1-72.2154.3000110.2V88 V90 L134 T175 L177 Q178V88-L173 HydrophobicContact CG1-CD2 4.04Å; V90-L173 HydrophobicContact CG1-CD2 3.81Å; L134-L173 HydrophobicContact CD1-CD2 3.68Å; L134-L173 HydrophobicContact CD1-CG 4.49Å; L134-L173 HydrophobicContact CD2-CD2 3.97Å; L134-L173 HydrophobicContact CG-CD2 4.49Å; L173-T175 PolarHBondContact O-N 3.36Å; L173-L177 HydrophobicContact CD2-CD2 4.07Å; L173-Q178 HydrophobicContact CB-CB 4.28Å
174P91.6Very high93.4Very high61 Ų6174.5 Ų74.540%0.39640%0.402SS..PPolyproline II helixtrans-53.9131.5168.3-25.433.6000110.7T89 A176 L177 Q178T89-P174 WeakPolarHBondContact O-CD 3.46Å; P174-A176 PolarHBondContact O-N 2.81Å; P174-A176 VanDerWaalsContact O-N 3.08Å; P174-L177 PolarHBondContact O-N 2.89Å; P174-Q178 PolarHBondContact O-N 2.83Å
175T91.8Very high93.3Very high92 Ų9273.5 Ų73.556%0.56441%0.408SS*.Hα-helixtrans-56.5-31.8-173.1550000113.5L173 R179L173-T175 PolarHBondContact O-N 3.36Å; T175-R179 WeakPolarHBondContact O-CB 3.14Å; T175-R179 VanDerWaalsContact O-CG 3.27Å; T175-R179 WeakPolarHBondContact O-CG 3.36Å; T175-R179 PolarHBondContact O-N 2.88Å; T175-R179 VanDerWaalsContact O-N 3.11Å
176A92.1Very high93.3Very high75 Ų7573.1 Ų73.162%0.6241%0.411SS*.Hα-helixtrans-63.5-47.5175.100000112.2P174 A180P174-A176 PolarHBondContact O-N 2.81Å; P174-A176 VanDerWaalsContact O-N 3.08Å; A176-A180 PolarHBondContact O-N 3.45Å
177L91.5Very high93.3Very high58 Ų5875.6 Ų75.630%0.30443%0.432SS..Hα-helixtrans-69.5-42.7178.7-179.663.9000111.2V88 L173 P174 R179 A180 M181V88-L177 HydrophobicContact CB-CD2 4.41Å; V88-L177 HydrophobicContact CG1-CD2 3.29Å; V88-L177 HydrophobicContact CG2-CD2 4.23Å; L173-L177 HydrophobicContact CD2-CD2 4.07Å; P174-L177 PolarHBondContact O-N 2.89Å; L177-R179 VanDerWaalsContact C-N 3.28Å; L177-R179 PolarHBondContact O-N 2.97Å; L177-A180 PolarHBondContact O-N 2.86Å; L177-A180 VanDerWaalsContact O-N 3.15Å; L177-M181 HydrophobicContact CD1-CG 4.06Å; L177-M181 HydrophobicContact CD1-SD 4.25Å; L177-M181 HydrophobicContact CD2-SD 4.33Å; L177-M181 HydrophobicContact CG-CG 4.2Å; L177-M181 HydrophobicContact CG-SD 3.93Å; L177-M181 WeakPolarHBondContact O-CB 3.2Å; L177-M181 WeakPolarHBondContact O-CG 3.3Å; L177-M181 PolarHBondContact O-N 2.83Å
178Q92.4Very high93.3Very high110 Ų11074.4 Ų74.451%0.51443%0.434SS..Hα-helixtrans-57.1-42.8178.1-170.3-176.127.400111.8L173 P174 A182L173-Q178 HydrophobicContact CB-CB 4.28Å; P174-Q178 PolarHBondContact O-N 2.83Å; Q178-A182 VanDerWaalsContact O-CB 3.29Å; Q178-A182 WeakPolarHBondContact O-CB 3.42Å; Q178-A182 PolarHBondContact O-N 3.33Å
179R94.3Very high93.4Very high188 Ų18882 Ų8271%0.70946%0.461SS*.Hα-helixtrans-65.9-43.1176-73.8174.5-176.5168.12.4112.3T175 L177 A182 A183T175-R179 WeakPolarHBondContact O-CB 3.14Å; T175-R179 VanDerWaalsContact O-CG 3.27Å; T175-R179 WeakPolarHBondContact O-CG 3.36Å; T175-R179 PolarHBondContact O-N 2.88Å; T175-R179 VanDerWaalsContact O-N 3.11Å; L177-R179 VanDerWaalsContact C-N 3.28Å; L177-R179 PolarHBondContact O-N 2.97Å; R179-A182 PolarHBondContact O-N 3.27Å; R179-A183 WeakPolarHBondContact O-CB 3.15Å; R179-A183 PolarHBondContact O-N 3.43Å
180A93.4Very high93.7Very high58 Ų5881.2 Ų81.248%0.47946%0.459SS..Hα-helixtrans-62.9-46.617800000111.6A176 L177 A182 A183 E184A176-A180 PolarHBondContact O-N 3.45Å; L177-A180 PolarHBondContact O-N 2.86Å; L177-A180 VanDerWaalsContact O-N 3.15Å; A180-A182 PolarHBondContact O-N 3.45Å; A180-A183 PolarHBondContact O-N 2.89Å; A180-E184 PolarHBondContact O-N 2.78Å
181M92.1Very high94Very high65 Ų6580.1 Ų80.132%0.3246%0.461SS..Hα-helixtrans-63.2-40.2176.4-70.3-179.172.300112.2L134 L177 E184 A185L134-M181 HydrophobicContact CD2-CE 3.8Å; L134-M181 HydrophobicContact CD2-SD 3.77Å; L177-M181 HydrophobicContact CD1-CG 4.06Å; L177-M181 HydrophobicContact CD1-SD 4.25Å; L177-M181 HydrophobicContact CD2-SD 4.33Å; L177-M181 HydrophobicContact CG-CG 4.2Å; L177-M181 HydrophobicContact CG-SD 3.93Å; L177-M181 WeakPolarHBondContact O-CB 3.2Å; L177-M181 WeakPolarHBondContact O-CG 3.3Å; L177-M181 PolarHBondContact O-N 2.83Å; M181-E184 PolarHBondContact O-N 2.91Å; M181-A185 VanDerWaalsContact O-CB 3.22Å; M181-A185 WeakPolarHBondContact O-CB 3.41Å; M181-A185 PolarHBondContact O-N 2.83Å
182A92.8Very high94.3Very high60 Ų6088.3 Ų88.350%0.49649%0.491SS..Hα-helixtrans-63.7-41.9176.100000111.8Q178 R179 A180 A185 E186Q178-A182 VanDerWaalsContact O-CB 3.29Å; Q178-A182 WeakPolarHBondContact O-CB 3.42Å; Q178-A182 PolarHBondContact O-N 3.33Å; R179-A182 PolarHBondContact O-N 3.27Å; A180-A182 PolarHBondContact O-N 3.45Å; A182-A185 PolarHBondContact O-N 3.25Å; A182-E186 WeakPolarHBondContact O-CB 3.31Å; A182-E186 PolarHBondContact O-N 2.97Å
183A95.3Very high94.5Very high62 Ų6288.1 Ų88.151%0.51249%0.492SS..Hα-helixtrans-65.5-42.4176.400000112.2R179 A180 E186 A187R179-A183 WeakPolarHBondContact O-CB 3.15Å; R179-A183 PolarHBondContact O-N 3.43Å; A180-A183 PolarHBondContact O-N 2.89Å; A183-E186 PolarHBondContact O-N 3.32Å; A183-A187 WeakPolarHBondContact O-CB 3.34Å; A183-A187 PolarHBondContact O-N 2.95Å
184E94.9Very high94.8Very high143 Ų14393 Ų9367%0.66851%0.513SS*.Hα-helixtrans-63.7-45.5175.3-175.4-177.817600111.7A180 M181 E186 A187 A188A180-E184 PolarHBondContact O-N 2.78Å; M181-E184 PolarHBondContact O-N 2.91Å; E184-E186 VanDerWaalsContact C-N 3.33Å; E184-E186 PolarHBondContact O-N 2.93Å; E184-A187 PolarHBondContact O-N 3.24Å; E184-A188 WeakPolarHBondContact O-CB 3.43Å; E184-A188 PolarHBondContact O-N 3.39Å
185A93.9Very high95.1Very high60 Ų6094 Ų9450%0.49652%0.517SS..Hα-helixtrans-62.2-40.4178.500000111.9M181 A182 R189M181-A185 VanDerWaalsContact O-CB 3.22Å; M181-A185 WeakPolarHBondContact O-CB 3.41Å; M181-A185 PolarHBondContact O-N 2.83Å; A182-A185 PolarHBondContact O-N 3.25Å; A185-R189 WeakPolarHBondContact O-CB 3Å; A185-R189 PolarHBondContact O-N 2.85Å
186E95.9Very high95.4Very high112 Ų11295.1 Ų95.152%0.52352%0.519SS..Hα-helixtrans-66.3-46.4176.7-172.560.2-164.700111.4A182 A183 E184 A188 R189 E190A182-E186 WeakPolarHBondContact O-CB 3.31Å; A182-E186 PolarHBondContact O-N 2.97Å; A183-E186 PolarHBondContact O-N 3.32Å; E184-E186 VanDerWaalsContact C-N 3.33Å; E184-E186 PolarHBondContact O-N 2.93Å; E186-A188 VanDerWaalsContact C-N 3.35Å; E186-A188 PolarHBondContact O-N 3.03Å; E186-R189 PolarHBondContact O-N 3.39Å; E186-E190 WeakPolarHBondContact O-CB 3.38Å; E186-E190 PolarHBondContact O-N 3.19Å
187A97.2Very high95.7Very high57 Ų5794.6 Ų94.647%0.47152%0.515SS..Hα-helixtrans-60.8-43.1176.500000112A183 E184 R189 E190 A191A183-A187 WeakPolarHBondContact O-CB 3.34Å; A183-A187 PolarHBondContact O-N 2.95Å; E184-A187 PolarHBondContact O-N 3.24Å; A187-R189 VanDerWaalsContact C-N 3.35Å; A187-E190 PolarHBondContact O-N 3.19Å; A187-A191 WeakPolarHBondContact O-CB 3.39Å; A187-A191 PolarHBondContact O-N 3.42Å
188A95.9Very high96Very high45 Ų4594.8 Ų94.837%0.37253%0.525SS..Hα-helixtrans-65.1-38.7176.400000112E184 E186 R192E184-A188 WeakPolarHBondContact O-CB 3.43Å; E184-A188 PolarHBondContact O-N 3.39Å; E186-A188 VanDerWaalsContact C-N 3.35Å; E186-A188 PolarHBondContact O-N 3.03Å; A188-R192 WeakPolarHBondContact O-CB 3.34Å; A188-R192 VanDerWaalsContact O-CG 3.28Å; A188-R192 WeakPolarHBondContact O-CG 2.89Å; A188-R192 PolarHBondContact O-N 3.45Å
189R97.6Very high96.3Very high182 Ų18295 Ų9569%0.68753%0.525SS*.Hα-helixtrans-67.6-42.7177-170178.5-174.7-179.41.5111.6A185 E186 A187 R192 A193A185-R189 WeakPolarHBondContact O-CB 3Å; A185-R189 PolarHBondContact O-N 2.85Å; E186-R189 PolarHBondContact O-N 3.39Å; A187-R189 VanDerWaalsContact C-N 3.35Å; R189-R192 PolarHBondContact O-N 3.3Å; R189-A193 WeakPolarHBondContact O-CB 3.24Å; R189-A193 PolarHBondContact O-N 3.36Å
190E97.6Very high96.5Very high100 Ų10088 Ų8847%0.46751%0.511SS..Hα-helixtrans-64.5-44.4176.5-164.8-166.8150.100111.4E186 A187 R192 A193 K194E186-E190 WeakPolarHBondContact O-CB 3.38Å; E186-E190 PolarHBondContact O-N 3.19Å; A187-E190 PolarHBondContact O-N 3.19Å; E190-R192 PolarHBondContact O-N 3.11Å; E190-A193 PolarHBondContact O-N 2.97Å; E190-K194 PolarHBondContact O-N 3.1Å; E190-K194 WeakPolarHBondContact OE1-CE 3.16Å; E190-K194 IonicContact OE1-NZ 3.4Å; E190-K194 PolarHBondContact OE1-NZ 3.2Å
191A97.4Very high96.6Very high54 Ų5491.1 Ų91.145%0.44652%0.516SS..Hα-helixtrans-60.4-46.3175.600000111.6A187 A193 K194 V195A187-A191 WeakPolarHBondContact O-CB 3.39Å; A187-A191 PolarHBondContact O-N 3.42Å; A191-A193 PolarHBondContact O-N 3.38Å; A191-K194 PolarHBondContact O-N 3.43Å; A191-V195 WeakPolarHBondContact O-CG2 3.17Å; A191-V195 PolarHBondContact O-N 3.46Å; A191-V195 VanDerWaalsContact O-N 3.11Å
192R97.6Very high96.9Very high185 Ų18592.8 Ų92.870%0.69852%0.524SS*.Hα-helixtrans-62.1-42.2175.4-75.5178.2-173.1-169.44112A188 R189 E190 K194 V195 I196A188-R192 WeakPolarHBondContact O-CB 3.34Å; A188-R192 VanDerWaalsContact O-CG 3.28Å; A188-R192 WeakPolarHBondContact O-CG 2.89Å; A188-R192 PolarHBondContact O-N 3.45Å; R189-R192 PolarHBondContact O-N 3.3Å; E190-R192 PolarHBondContact O-N 3.11Å; R192-K194 VanDerWaalsContact C-N 3.32Å; R192-K194 PolarHBondContact O-N 3.35Å; R192-V195 PolarHBondContact O-N 3.26Å; R192-I196 VanDerWaalsContact O-CG1 3.29Å; R192-I196 WeakPolarHBondContact O-CG1 3.38Å; R192-I196 PolarHBondContact O-N 2.94Å
193A98Very high97.1Very high54 Ų5497.7 Ų97.745%0.44654%0.535SS..Hα-helixtrans-60.8-41.3177.400000111.8R189 E190 A191 I196 A197R189-A193 WeakPolarHBondContact O-CB 3.24Å; R189-A193 PolarHBondContact O-N 3.36Å; E190-A193 PolarHBondContact O-N 2.97Å; A191-A193 PolarHBondContact O-N 3.38Å; A193-I196 PolarHBondContact O-N 3.47Å; A193-A197 WeakPolarHBondContact O-CB 3.29Å; A193-A197 PolarHBondContact O-N 3.2Å
194K97.9Very high97.2Very high132 Ų13297.4 Ų97.457%0.57453%0.529SS*.Hα-helixtrans-62.5-42.9175.3-78.3170.1171.5160.40112.7E190 A191 R192 A197 A198E190-K194 PolarHBondContact O-N 3.1Å; E190-K194 WeakPolarHBondContact OE1-CE 3.16Å; E190-K194 IonicContact OE1-NZ 3.4Å; E190-K194 PolarHBondContact OE1-NZ 3.2Å; A191-K194 PolarHBondContact O-N 3.43Å; R192-K194 VanDerWaalsContact C-N 3.32Å; R192-K194 PolarHBondContact O-N 3.35Å; K194-A197 PolarHBondContact O-N 2.99Å; K194-A198 WeakPolarHBondContact O-CB 3.46Å; K194-A198 PolarHBondContact O-N 2.9Å
195V98.1Very high97.3Very high81 Ų8193.5 Ų93.549%0.49152%0.517SS..Hα-helixtrans-63-48.2176.2174.10000110.6A191 R192 A197 A198 E199A191-V195 WeakPolarHBondContact O-CG2 3.17Å; A191-V195 PolarHBondContact O-N 3.46Å; A191-V195 VanDerWaalsContact O-N 3.11Å; R192-V195 PolarHBondContact O-N 3.26Å; V195-A197 VanDerWaalsContact C-N 3.29Å; V195-A197 PolarHBondContact O-N 2.9Å; V195-A198 PolarHBondContact O-N 2.77Å; V195-E199 HydrophobicContact CG1-CG 4.35Å; V195-E199 WeakPolarHBondContact O-CB 3.46Å; V195-E199 WeakPolarHBondContact O-CG 3.49Å; V195-E199 PolarHBondContact O-N 2.87Å
196I98.1Very high97.5Very high116 Ų11698.6 Ų98.660%0.59552%0.524SS*.Hα-helixtrans-60.7-40.2178.5-67.6166.3000111R192 A193 G200R192-I196 VanDerWaalsContact O-CG1 3.29Å; R192-I196 WeakPolarHBondContact O-CG1 3.38Å; R192-I196 PolarHBondContact O-N 2.94Å; A193-I196 PolarHBondContact O-N 3.47Å; I196-G200 PolarHBondContact O-N 2.95Å
197A97.9Very high97.5Very high65 Ų6596 Ų9654%0.53752%0.521SS..Hα-helixtrans-64.7-45.4176.500000111.9A193 K194 V195 G200 E201A193-A197 WeakPolarHBondContact O-CB 3.29Å; A193-A197 PolarHBondContact O-N 3.2Å; K194-A197 PolarHBondContact O-N 2.99Å; V195-A197 VanDerWaalsContact C-N 3.29Å; V195-A197 PolarHBondContact O-N 2.9Å; A197-G200 PolarHBondContact O-N 2.83Å; A197-E201 WeakPolarHBondContact O-CB 3.18Å; A197-E201 PolarHBondContact O-N 2.91Å
198A97.9Very high97.4Very high62 Ų6298.5 Ų98.551%0.51253%0.526SS..Hα-helixtrans-64.9-41.5177.700000112.4K194 V195 E201 M202K194-A198 WeakPolarHBondContact O-CB 3.46Å; K194-A198 PolarHBondContact O-N 2.9Å; V195-A198 PolarHBondContact O-N 2.77Å; A198-E201 PolarHBondContact O-N 3.1Å; A198-M202 PolarHBondContact O-N 3.47Å
199E97.8Very high97.4Very high114 Ų114103.9 Ų103.953%0.53354%0.536SS..Hα-helixtrans-64.7-41.3173.9-74.5-178.5172.500111.8V195 M202 K203V195-E199 HydrophobicContact CG1-CG 4.35Å; V195-E199 WeakPolarHBondContact O-CB 3.46Å; V195-E199 WeakPolarHBondContact O-CG 3.49Å; V195-E199 PolarHBondContact O-N 2.87Å; E199-M202 PolarHBondContact O-N 3.22Å; E199-K203 WeakPolarHBondContact O-CB 3.43Å; E199-K203 PolarHBondContact O-N 3.43Å
200G98.3Very high97.2Very high40 Ų40101.1 Ų101.141%0.41253%0.531SS..Hα-helixtrans-58.6-45.8173.300000112I196 A197 K203 S204I196-G200 PolarHBondContact O-N 2.95Å; A197-G200 PolarHBondContact O-N 2.83Å; G200-K203 PolarHBondContact O-N 2.82Å; G200-S204 WeakPolarHBondContact O-CB 3.3Å; G200-S204 PolarHBondContact O-N 3.4Å
201E97.4Very high97Very high125 Ų12597.8 Ų97.858%0.58452%0.521SS*.Hα-helixtrans-65.3-42.9178.7-168.562.1-160.700112A197 A198 K203 S204 S205A197-E201 WeakPolarHBondContact O-CB 3.18Å; A197-E201 PolarHBondContact O-N 2.91Å; A198-E201 PolarHBondContact O-N 3.1Å; E201-K203 PolarHBondContact O-N 2.89Å; E201-S204 PolarHBondContact O-N 2.91Å; E201-S205 VanDerWaalsContact O-CB 3.3Å; E201-S205 WeakPolarHBondContact O-CB 3.32Å; E201-S205 PolarHBondContact O-N 3.09Å; E201-S205 PolarHBondContact O-OG 3.07Å
202M97.3Very high96.7Very high99 Ų9998.7 Ų98.749%0.48852%0.524SS..Hα-helixtrans-61.8-44.7174.4-179.2-175.76100111.3A198 E199 S205 R206A198-M202 PolarHBondContact O-N 3.47Å; E199-M202 PolarHBondContact O-N 3.22Å; M202-S205 PolarHBondContact O-N 2.56Å; M202-R206 WeakPolarHBondContact O-CG 3.39Å; M202-R206 PolarHBondContact O-N 2.91Å
203K97.7Very high96.5Very high164 Ų16494.6 Ų94.671%0.71351%0.513SS*.Hα-helixtrans-64.8-42.6179.6-169.3176.6-1781800111.2E199 G200 E201 R206 A207E199-K203 WeakPolarHBondContact O-CB 3.43Å; E199-K203 PolarHBondContact O-N 3.43Å; G200-K203 PolarHBondContact O-N 2.82Å; E201-K203 PolarHBondContact O-N 2.89Å; K203-R206 PolarHBondContact O-N 3.47Å; K203-A207 PolarHBondContact O-N 3.34Å; K203-A207 VanDerWaalsContact O-N 3.11Å
204S97.4Very high96Very high56 Ų5697.1 Ų97.139%0.39252%0.518SS..Hα-helixtrans-59.6-49.2173.4-177.20000111.4G200 E201 R206 A207 L208G200-S204 WeakPolarHBondContact O-CB 3.3Å; G200-S204 PolarHBondContact O-N 3.4Å; E201-S204 PolarHBondContact O-N 2.91Å; S204-R206 VanDerWaalsContact C-N 3.34Å; S204-R206 PolarHBondContact O-N 3.48Å; S204-A207 PolarHBondContact O-N 3.41Å; S204-L208 WeakPolarHBondContact O-CG 3.46Å; S204-L208 PolarHBondContact O-N 3.12Å
205S96.9Very high95.6Very high60 Ų6092.2 Ų92.242%0.4250%0.497SS..Hα-helixtrans-60.1-41179.2-65.20000112.7E201 M202 L208 R209E201-S205 VanDerWaalsContact O-CB 3.3Å; E201-S205 WeakPolarHBondContact O-CB 3.32Å; E201-S205 PolarHBondContact O-N 3.09Å; E201-S205 PolarHBondContact O-OG 3.07Å; M202-S205 PolarHBondContact O-N 2.56Å; S205-L208 PolarHBondContact O-N 3.21Å; S205-R209 WeakPolarHBondContact O-CB 3.45Å; S205-R209 PolarHBondContact O-N 3.41Å
206R97.3Very high95Very high168 Ų16893 Ų9363%0.63451%0.506SS*.Hα-helixtrans-63.3-45.9175.1-76.2-174.6-172.9-1664.1112M202 K203 S204 L208 R209 E210M202-R206 WeakPolarHBondContact O-CG 3.39Å; M202-R206 PolarHBondContact O-N 2.91Å; K203-R206 PolarHBondContact O-N 3.47Å; S204-R206 VanDerWaalsContact C-N 3.34Å; S204-R206 PolarHBondContact O-N 3.48Å; R206-L208 VanDerWaalsContact C-N 3.33Å; R206-L208 PolarHBondContact O-N 3.14Å; R206-R209 WeakPolarHBondContact O-CB 3.46Å; R206-R209 PolarHBondContact O-N 3.26Å; R206-E210 PolarHBondContact O-N 3.45Å
207A96.3Very high94.7Very high56 Ų5691.6 Ų91.646%0.46351%0.512SS..Hα-helixtrans-62.8-40.4178.100000111.8K203 S204 E210 A211K203-A207 PolarHBondContact O-N 3.34Å; K203-A207 VanDerWaalsContact O-N 3.11Å; S204-A207 PolarHBondContact O-N 3.41Å; A207-E210 PolarHBondContact O-N 3.32Å; A207-A211 WeakPolarHBondContact O-CB 3.48Å; A207-A211 PolarHBondContact O-N 3.3Å
208L94.5Very high94.3Very high111 Ų11191 Ų9158%0.58150%0.504SS*.Hα-helixtrans-65.1-40.2175-71.9173.4000112.3S204 S205 R206 A211 S212S204-L208 WeakPolarHBondContact O-CG 3.46Å; S204-L208 PolarHBondContact O-N 3.12Å; S205-L208 PolarHBondContact O-N 3.21Å; R206-L208 VanDerWaalsContact C-N 3.33Å; R206-L208 PolarHBondContact O-N 3.14Å; L208-A211 PolarHBondContact O-N 3.23Å; L208-S212 WeakPolarHBondContact O-CB 3.47Å; L208-S212 PolarHBondContact O-N 3.04Å
209R95.8Very high93.5Very high157 Ų15792.8 Ų92.859%0.59251%0.511SS*.Hα-helixtrans-60.9-48.9175.5-173-176.2109.681.617111.3S205 R206 S212 E213S205-R209 WeakPolarHBondContact O-CB 3.45Å; S205-R209 PolarHBondContact O-N 3.41Å; R206-R209 WeakPolarHBondContact O-CB 3.46Å; R206-R209 PolarHBondContact O-N 3.26Å; R209-S212 WeakPolarHBondContact O-CB 3.35Å; R209-S212 PolarHBondContact O-N 3.06Å; R209-S212 VanDerWaalsContact O-N 3.16Å; R209-E213 IonicContact CZ-OE1 2.99Å; R209-E213 IonicContact NE-OE1 3.92Å; R209-E213 IonicContact NH1-OE1 2.84Å; R209-E213 PolarHBondContact NH1-OE1 3Å; R209-E213 IonicContact NH2-OE1 3.1Å; R209-E213 PolarHBondContact NH2-OE1 2.99Å; R209-E213 IonicContact NH2-OE2 2.95Å; R209-E213 PolarHBondContact NH2-OE2 3.35Å; R209-E213 PolarHBondContact O-N 3.31Å
210E95.1Very high92.9Very high124 Ų12490.9 Ų90.958%0.57951%0.51SS*.Hα-helixtrans-61.2-45.6177.6-174.9175.4-166.600111.3R206 A207 S212 E213 I214R206-E210 PolarHBondContact O-N 3.45Å; A207-E210 PolarHBondContact O-N 3.32Å; E210-S212 VanDerWaalsContact C-N 3.28Å; E210-S212 PolarHBondContact O-N 2.95Å; E210-E213 PolarHBondContact O-N 3.11Å; E210-I214 HydrophobicContact CG-CD1 4.25Å; E210-I214 WeakPolarHBondContact O-CG1 3.43Å; E210-I214 PolarHBondContact O-N 3.11Å
211A92.3Very high92.4Very high30 Ų3090.3 Ų90.325%0.24850%0.501CS..Hα-helixtrans-59.7-39.2174.200000112.2A207 L208 I215A207-A211 WeakPolarHBondContact O-CB 3.48Å; A207-A211 PolarHBondContact O-N 3.3Å; L208-A211 PolarHBondContact O-N 3.23Å; A211-I215 WeakPolarHBondContact O-CB 3.42Å; A211-I215 WeakPolarHBondContact O-CD1 3.34Å; A211-I215 WeakPolarHBondContact O-CG1 3.42Å; A211-I215 PolarHBondContact O-N 2.97Å
212S92Very high91.8Very high73 Ų7389.5 Ų89.551%0.5150%0.501SS..Hα-helixtrans-65.8-42.1176.7-1720000112.3L208 R209 E210 I215 S216L208-S212 WeakPolarHBondContact O-CB 3.47Å; L208-S212 PolarHBondContact O-N 3.04Å; R209-S212 WeakPolarHBondContact O-CB 3.35Å; R209-S212 PolarHBondContact O-N 3.06Å; R209-S212 VanDerWaalsContact O-N 3.16Å; E210-S212 VanDerWaalsContact C-N 3.28Å; E210-S212 PolarHBondContact O-N 2.95Å; S212-I215 PolarHBondContact O-N 3.42Å; S212-S216 WeakPolarHBondContact O-CB 3.48Å; S212-S216 PolarHBondContact O-N 3.32Å
213E92.1Very high91.1Very high99 Ų9991.1 Ų91.146%0.46351%0.507SS..Hα-helixtrans-62-44.2176.6-74.4177.2168.300110.8R209 E210 S216 A217R209-E213 IonicContact CZ-OE1 2.99Å; R209-E213 IonicContact NE-OE1 3.92Å; R209-E213 IonicContact NH1-OE1 2.84Å; R209-E213 PolarHBondContact NH1-OE1 3Å; R209-E213 IonicContact NH2-OE1 3.1Å; R209-E213 PolarHBondContact NH2-OE1 2.99Å; R209-E213 IonicContact NH2-OE2 2.95Å; R209-E213 PolarHBondContact NH2-OE2 3.35Å; R209-E213 PolarHBondContact O-N 3.31Å; E210-E213 PolarHBondContact O-N 3.11Å; E213-S216 PolarHBondContact O-N 3.47Å; E213-A217 PolarHBondContact O-N 2.85Å
214I89Confident90.6Very high108 Ų10888.8 Ų88.855%0.55450%0.501SS*.Hα-helixtrans-62.5-44.3176.4-66167.6000111.4E210 A217 S218E210-I214 HydrophobicContact CG-CD1 4.25Å; E210-I214 WeakPolarHBondContact O-CG1 3.43Å; E210-I214 PolarHBondContact O-N 3.11Å; I214-A217 PolarHBondContact O-N 3.36Å; I214-S218 PolarHBondContact O-N 2.81Å
215I88.3Confident90Very high28 Ų2892 Ų9214%0.14451%0.505CS..Hα-helixtrans-66.8-39.9179.4-73.1167.8000111.3A211 S212 A217 S218 A221 L222A211-I215 WeakPolarHBondContact O-CB 3.42Å; A211-I215 WeakPolarHBondContact O-CD1 3.34Å; A211-I215 WeakPolarHBondContact O-CG1 3.42Å; A211-I215 PolarHBondContact O-N 2.97Å; S212-I215 PolarHBondContact O-N 3.42Å; I215-A217 VanDerWaalsContact C-N 3.27Å; I215-A217 PolarHBondContact O-N 3.02Å; I215-S218 CarbonylContact O-C 3.59Å; I215-S218 PolarHBondContact O-N 3Å; I215-A221 HydrophobicContact CG1-CB 4.34Å; I215-L222 HydrophobicContact CG2-CB 4.37Å; I215-L222 HydrophobicContact CG2-CD1 4.23Å; I215-L222 HydrophobicContact CG2-CD2 4.34Å; I215-L222 HydrophobicContact CG2-CG 3.59Å
216S86.8Confident89.2Confident97 Ų9792.5 Ų92.568%0.67850%0.498SS*.Hα-helixtrans-64.8-33.1176.4-171.40000112.2S212 E213 S218S212-S216 WeakPolarHBondContact O-CB 3.48Å; S212-S216 PolarHBondContact O-N 3.32Å; E213-S216 PolarHBondContact O-N 3.47Å; S216-S218 VanDerWaalsContact C-N 3.28Å; S216-S218 PolarHBondContact O-N 3.18Å
217A90.5Very high88.7Confident87 Ų8789.6 Ų89.672%0.71950%0.495SS*.Hα-helixtrans-71.8-20.2177.200000113.3E213 I214 I215E213-A217 PolarHBondContact O-N 2.85Å; I214-A217 PolarHBondContact O-N 3.36Å; I215-A217 VanDerWaalsContact C-N 3.27Å; I215-A217 PolarHBondContact O-N 3.02Å
218S89Confident88.2Confident52 Ų5293.2 Ų93.236%0.36450%0.502SS..  trans-129.299-178.1-174.80000111.8I214 I215 S216 S220 A221I214-S218 PolarHBondContact O-N 2.81Å; I215-S218 CarbonylContact O-C 3.59Å; I215-S218 PolarHBondContact O-N 3Å; S216-S218 VanDerWaalsContact C-N 3.28Å; S216-S218 PolarHBondContact O-N 3.18Å; S218-S220 PolarHBondContact O-N 2.99Å; S218-S220 VanDerWaalsContact O-N 3.11Å; S218-A221 VanDerWaalsContact O-CB 3.3Å; S218-A221 WeakPolarHBondContact O-CB 3.38Å; S218-A221 PolarHBondContact O-N 2.94Å
219P81.6Confident87.8Confident101 Ų10191.3 Ų91.366%0.65650%0.495SS*.Hα-helixtrans-55.9-32-179.1-24.732.8000113.8A221 L222P219-A221 VanDerWaalsContact C-N 3.28Å; P219-A221 PolarHBondContact O-N 3.44Å; P219-L222 PolarHBondContact O-N 3.47Å
220S86.3Confident87Confident73 Ų7386.4 Ų86.451%0.5148%0.48SS..Hα-helixtrans-66.1-27.9177.6-48.20000112.9S218 Q223 L224S218-S220 PolarHBondContact O-N 2.99Å; S218-S220 VanDerWaalsContact O-N 3.11Å; S220-Q223 PolarHBondContact O-N 3.1Å; S220-L224 WeakPolarHBondContact O-CG 3.03Å; S220-L224 PolarHBondContact O-N 3.4Å; S220-L224 VanDerWaalsContact O-N 3.08Å
221A85.9Confident86.3Confident29 Ų2984 Ų8424%0.2448%0.477CS..Hα-helixtrans-68-36.2177.600000111.9I215 S218 P219 L224 R225I215-A221 HydrophobicContact CG1-CB 4.34Å; S218-A221 VanDerWaalsContact O-CB 3.3Å; S218-A221 WeakPolarHBondContact O-CB 3.38Å; S218-A221 PolarHBondContact O-N 2.94Å; P219-A221 VanDerWaalsContact C-N 3.28Å; P219-A221 PolarHBondContact O-N 3.44Å; A221-L224 PolarHBondContact O-N 3.43Å; A221-R225 WeakPolarHBondContact O-CB 3.25Å; A221-R225 PolarHBondContact O-N 2.82Å
222L85.1Confident85.8Confident108 Ų10886.4 Ų86.457%0.56549%0.492SS*.Hα-helixtrans-63-43.3174.2-108.2166.3000111.5I215 P219 R225 Y226I215-L222 HydrophobicContact CG2-CB 4.37Å; I215-L222 HydrophobicContact CG2-CD1 4.23Å; I215-L222 HydrophobicContact CG2-CD2 4.34Å; I215-L222 HydrophobicContact CG2-CG 3.59Å; P219-L222 PolarHBondContact O-N 3.47Å; L222-R225 PolarHBondContact O-N 3.46Å; L222-Y226 WeakPolarHBondContact O-CB 3.41Å; L222-Y226 PolarHBondContact O-N 2.99Å
223Q82.8Confident85Confident133 Ų13386.4 Ų86.462%0.62149%0.486SS*.Hα-helixtrans-63.3-42.7175.9-81.7173.9-22.800112.3S220 Y226 L227S220-Q223 PolarHBondContact O-N 3.1Å; Q223-Y226 WeakPolarHBondContact O-CB 3.35Å; Q223-Y226 PolarHBondContact O-N 3.12Å; Q223-L227 WeakPolarHBondContact O-CG 3.49Å; Q223-L227 PolarHBondContact O-N 2.96Å
224L87.8Confident84Confident114 Ų11486.6 Ų86.660%0.59750%0.498SS*.Hα-helixtrans-64.4-42.8176-71.4173.7000112.1S220 A221 Y226 L227 Q228S220-L224 WeakPolarHBondContact O-CG 3.03Å; S220-L224 PolarHBondContact O-N 3.4Å; S220-L224 VanDerWaalsContact O-N 3.08Å; A221-L224 PolarHBondContact O-N 3.43Å; L224-Y226 VanDerWaalsContact C-N 3.31Å; L224-Y226 PolarHBondContact O-N 3.08Å; L224-L227 PolarHBondContact O-N 3.21Å; L224-Q228 WeakPolarHBondContact O-CG 3.27Å; L224-Q228 PolarHBondContact O-N 3.38Å
225R83.8Confident83.2Confident124 Ų12486.5 Ų86.547%0.46850%0.502SS..Hα-helixtrans-61.3-41.2174.5-166.4101.3105.6-176.69.9111.2A221 L222 Q228 T229A221-R225 WeakPolarHBondContact O-CB 3.25Å; A221-R225 PolarHBondContact O-N 2.82Å; L222-R225 PolarHBondContact O-N 3.46Å; R225-Q228 PolarHBondContact O-N 3.01Å; R225-T229 WeakPolarHBondContact O-CB 3.36Å; R225-T229 PolarHBondContact O-N 2.94Å; R225-T229 PolarHBondContact O-OG1 3.19Å
226Y81.4Confident82.4Confident71 Ų7192.2 Ų92.228%0.27853%0.528SS..Hα-helixtrans-60.2-48.4175.8-176.9-103.2000111.6L222 Q223 L224 Q228 T229 L230 F243L222-Y226 WeakPolarHBondContact O-CB 3.41Å; L222-Y226 PolarHBondContact O-N 2.99Å; Q223-Y226 WeakPolarHBondContact O-CB 3.35Å; Q223-Y226 PolarHBondContact O-N 3.12Å; L224-Y226 VanDerWaalsContact C-N 3.31Å; L224-Y226 PolarHBondContact O-N 3.08Å; Y226-Q228 PolarHBondContact O-N 3.23Å; Y226-T229 PolarHBondContact O-N 2.85Å; Y226-L230 HydrophobicContact CD1-CD1 3.84Å; Y226-L230 HydrophobicContact CD1-CG 4.48Å; Y226-L230 HydrophobicContact CE1-CD1 3.46Å; Y226-L230 VanDerWaalsContact CE1-CD1 3.46Å; Y226-L230 HydrophobicContact CE1-CG 4.24Å; Y226-L230 WeakPolarHBondContact O-CG 3.47Å; Y226-L230 PolarHBondContact O-N 3.12Å; Y226-F243 VanDerWaalsContact OH-CE1 3.32Å; Y226-F243 WeakPolarHBondContact OH-CE1 3.4Å; Y226-F243 WeakPolarHBondContact OH-CE2 3.37Å; Y226-F243 WeakPolarHBondContact OH-CZ 3.46Å
227L86.5Confident81.2Confident106 Ų10697.9 Ų97.956%0.55554%0.541SS*.Hα-helixtrans-63-40.7176.1-68.8174.7000112.7Q223 L224 T229 L230 S231Q223-L227 WeakPolarHBondContact O-CG 3.49Å; Q223-L227 PolarHBondContact O-N 2.96Å; L224-L227 PolarHBondContact O-N 3.21Å; L227-T229 VanDerWaalsContact C-N 3.33Å; L227-T229 PolarHBondContact O-N 3.42Å; L227-L230 HydrophobicContact CD2-CD1 4.48Å; L227-L230 PolarHBondContact O-N 3.02Å; L227-S231 PolarHBondContact O-N 3.41Å
228Q85.7Confident79.5Confident132 Ų132100.2 Ų100.262%0.61754%0.542SS*.Hα-helixtrans-62.2-40.9173.7-80.1-178.7-33.200112L224 R225 Y226 S231 S232L224-Q228 WeakPolarHBondContact O-CG 3.27Å; L224-Q228 PolarHBondContact O-N 3.38Å; R225-Q228 PolarHBondContact O-N 3.01Å; Y226-Q228 PolarHBondContact O-N 3.23Å; Q228-S231 WeakPolarHBondContact O-CB 3.48Å; Q228-S231 PolarHBondContact O-N 3.12Å; Q228-S232 PolarHBondContact O-N 3.27Å
229T85.7Confident77.8Confident71 Ų71103.5 Ų103.544%0.43657%0.565SS.*Hα-helixtrans-65.2-42.6178.3-52.40000110.6R225 Y226 L227 S231 S232 I233R225-T229 WeakPolarHBondContact O-CB 3.36Å; R225-T229 PolarHBondContact O-N 2.94Å; R225-T229 PolarHBondContact O-OG1 3.19Å; Y226-T229 PolarHBondContact O-N 2.85Å; L227-T229 VanDerWaalsContact C-N 3.33Å; L227-T229 PolarHBondContact O-N 3.42Å; T229-S231 VanDerWaalsContact C-N 3.32Å; T229-S231 PolarHBondContact O-N 3.32Å; T229-S232 PolarHBondContact O-N 2.97Å; T229-I233 HydrophobicContact CG2-CD1 3.88Å; T229-I233 HydrophobicContact CG2-CG1 4.49Å; T229-I233 WeakPolarHBondContact O-CB 3.43Å; T229-I233 VanDerWaalsContact O-CG1 3.24Å; T229-I233 WeakPolarHBondContact O-CG1 3.42Å; T229-I233 PolarHBondContact O-N 3.36Å
230L79.3Confident76.9Confident55 Ų55103.8 Ų103.829%0.28857%0.565SS.*Hα-helixtrans-60.2-40.5172.8-72.4175.5000112.3Y226 L227 S234 F243Y226-L230 HydrophobicContact CD1-CD1 3.84Å; Y226-L230 HydrophobicContact CD1-CG 4.48Å; Y226-L230 HydrophobicContact CE1-CD1 3.46Å; Y226-L230 VanDerWaalsContact CE1-CD1 3.46Å; Y226-L230 HydrophobicContact CE1-CG 4.24Å; Y226-L230 WeakPolarHBondContact O-CG 3.47Å; Y226-L230 PolarHBondContact O-N 3.12Å; L227-L230 HydrophobicContact CD2-CD1 4.48Å; L227-L230 PolarHBondContact O-N 3.02Å; L230-S234 WeakPolarHBondContact O-CB 3.25Å; L230-S234 PolarHBondContact O-N 3.01Å; L230-F243 HydrophobicContact CD2-CD2 4.31Å; L230-F243 HydrophobicContact CD2-CE2 4.2Å
231S81.1Confident75.7Confident73 Ų73106.5 Ų106.551%0.5157%0.572SS.*Hα-helixtrans-64.3-47.4176.1-171.10000111.9L227 Q228 T229 I233 S234 T235L227-S231 PolarHBondContact O-N 3.41Å; Q228-S231 WeakPolarHBondContact O-CB 3.48Å; Q228-S231 PolarHBondContact O-N 3.12Å; T229-S231 VanDerWaalsContact C-N 3.32Å; T229-S231 PolarHBondContact O-N 3.32Å; S231-I233 PolarHBondContact O-N 3.39Å; S231-S234 WeakPolarHBondContact O-CB 3.28Å; S231-S234 PolarHBondContact O-N 2.95Å; S231-T235 PolarHBondContact O-N 3.31Å; S231-T235 VanDerWaalsContact O-N 3.08Å; S231-T235 PolarHBondContact O-OG1 2.87Å
232S80.4Confident74.6Confident80 Ų80111.9 Ų111.956%0.55960%0.595SS**Hα-helixtrans-61.1-44.9176.2-80.30000112.4Q228 T229 S234 T235 E236Q228-S232 PolarHBondContact O-N 3.27Å; T229-S232 PolarHBondContact O-N 2.97Å; S232-S234 VanDerWaalsContact C-N 3.29Å; S232-S234 PolarHBondContact O-N 2.99Å; S232-T235 WeakPolarHBondContact O-CB 3.4Å; S232-T235 PolarHBondContact O-N 2.99Å; S232-E236 PolarHBondContact O-N 3.36Å; S232-E236 VanDerWaalsContact O-N 3.1Å
233I76.7Confident73.5Confident74 Ų74112 Ų11238%0.37959%0.591SS.*Hα-helixtrans-63-36.7176.7-66.5167.7000111.1T229 S231 T235T229-I233 HydrophobicContact CG2-CD1 3.88Å; T229-I233 HydrophobicContact CG2-CG1 4.49Å; T229-I233 WeakPolarHBondContact O-CB 3.43Å; T229-I233 VanDerWaalsContact O-CG1 3.24Å; T229-I233 WeakPolarHBondContact O-CG1 3.42Å; T229-I233 PolarHBondContact O-N 3.36Å; S231-I233 PolarHBondContact O-N 3.39Å; I233-T235 PolarHBondContact O-N 3.27Å
234S71.1Confident72.6Confident103 Ų103109.6 Ų109.672%0.7259%0.587SS**Hα-helixtrans-68.8-19.7174.7-1760000113.2L230 S231 S232L230-S234 WeakPolarHBondContact O-CB 3.25Å; L230-S234 PolarHBondContact O-N 3.01Å; S231-S234 WeakPolarHBondContact O-CB 3.28Å; S231-S234 PolarHBondContact O-N 2.95Å; S232-S234 VanDerWaalsContact C-N 3.29Å; S232-S234 PolarHBondContact O-N 2.99Å
235T71.3Confident71.8Confident105 Ų105109 Ų10964%0.64458%0.584SS**Hα-helixtrans-90-35.5-177.5-46.90000111.4S231 S232 I233 K237S231-T235 PolarHBondContact O-N 3.31Å; S231-T235 VanDerWaalsContact O-N 3.08Å; S231-T235 PolarHBondContact O-OG1 2.87Å; S232-T235 WeakPolarHBondContact O-CB 3.4Å; S232-T235 PolarHBondContact O-N 2.99Å; I233-T235 PolarHBondContact O-N 3.27Å; T235-K237 PolarHBondContact O-N 3.14Å
236E72.7Confident70.9Confident148 Ų148106.1 Ų106.169%0.69258%0.581SS**SBendtrans-72.9110.3166.7-76.8-175.4166.600109.5S232 N238S232-E236 PolarHBondContact O-N 3.36Å; S232-E236 VanDerWaalsContact O-N 3.1Å; E236-N238 VanDerWaalsContact C-N 3.27Å; E236-N238 PolarHBondContact O-N 3.42Å
237K59.8Low70.2Confident216 Ų216109.3 Ų109.394%0.93960%0.6SS**  trans-63.870.7-175.1-61.9178-179.8175.90113.8T235T235-K237 PolarHBondContact O-N 3.14Å
238N55.1Low69.2Low137 Ų137111.6 Ų111.673%0.73361%0.608SS**  trans-111.1132.9177.8-125.8-1.9000110.9E236 T240E236-N238 VanDerWaalsContact C-N 3.27Å; E236-N238 PolarHBondContact O-N 3.42Å; N238-T240 VanDerWaalsContact C-N 3.31Å; N238-T240 PolarHBondContact O-N 3.44Å
239S53.5Low68.3Low121 Ų121110.7 Ų110.785%0.84661%0.607SS**SBendtrans-81.4-0.9-168.675.80000115.5
240T63.8Low67.3Low107 Ų107110.6 Ų110.666%0.65660%0.604SS**  trans-127.8104.8-178.1-53.70000109.2N238 I242N238-T240 VanDerWaalsContact C-N 3.31Å; N238-T240 PolarHBondContact O-N 3.44Å; T240-I242 HydrophobicContact CG2-CG1 4.45Å; T240-I242 PolarHBondContact O-N 3.37Å
241I59.8Low66.6Low129 Ų129110.8 Ų110.866%0.66261%0.607SS**  trans-86.7103.4179.2-57171.9000108F243I241-F243 PolarHBondContact O-N 3.36Å
242I63.1Low65.9Low142 Ų142110.7 Ų110.773%0.72861%0.605SS**  trans-83.7113.6172.2-59.7174.7000107.2T240 P244T240-I242 HydrophobicContact CG2-CG1 4.45Å; T240-I242 PolarHBondContact O-N 3.37Å; I242-P244 VanDerWaalsContact O-CD 3.24Å; I242-P244 WeakPolarHBondContact O-CD 3.25Å
243F62.5Low65.3Low110 Ų110114.3 Ų114.348%0.48261%0.611SS.*  trans-96.8107.1-176.4-166.2-98.8000110.3Y226 L230 I241 L245Y226-F243 VanDerWaalsContact OH-CE1 3.32Å; Y226-F243 WeakPolarHBondContact OH-CE1 3.4Å; Y226-F243 WeakPolarHBondContact OH-CE2 3.37Å; Y226-F243 WeakPolarHBondContact OH-CZ 3.46Å; L230-F243 HydrophobicContact CD2-CD2 4.31Å; L230-F243 HydrophobicContact CD2-CE2 4.2Å; I241-F243 PolarHBondContact O-N 3.36Å; F243-L245 HydrophobicContact CD1-CD2 3.93Å; F243-L245 HydrophobicContact CD1-CG 3.78Å; F243-L245 HydrophobicContact CE1-CD2 3.54Å; F243-L245 HydrophobicContact CE1-CG 3.95Å; F243-L245 PolarHBondContact O-N 3.33Å
244P62.9Low64.6Low84 Ų84115.8 Ų115.855%0.54562%0.619SS.*  trans-75.2108.4174.628.8-31000109I242I242-P244 VanDerWaalsContact O-CD 3.24Å; I242-P244 WeakPolarHBondContact O-CD 3.25Å
245L71.2Confident64.2Low102 Ų102116.6 Ų116.653%0.53462%0.615SS.*  trans-81.7124.2171.9-81.8164.4000110F243 M247F243-L245 HydrophobicContact CD1-CD2 3.93Å; F243-L245 HydrophobicContact CD1-CG 3.78Å; F243-L245 HydrophobicContact CE1-CD2 3.54Å; F243-L245 HydrophobicContact CE1-CG 3.95Å; F243-L245 PolarHBondContact O-N 3.33Å; L245-M247 PolarHBondContact O-N 2.83Å
246P65.6Low63.7Low62 Ų62116.1 Ų116.140%0.40361%0.612SS.*  trans-62.2133.2172-18.930.1000111.2E248 L249P246-E248 PolarHBondContact O-N 3.18Å; P246-E248 VanDerWaalsContact O-N 3.16Å; P246-L249 HydrophobicContact CG-CD1 4.22Å; P246-L249 PolarHBondContact O-N 2.94Å
247M67.4Low63.1Low138 Ų138115.4 Ų115.468%0.6861%0.609SS**Hα-helixtrans-59.4-27.5178.9-71.7-84.7-79.200112.8L245 L249 L250 T251L245-M247 PolarHBondContact O-N 2.83Å; M247-L249 PolarHBondContact O-N 3.18Å; M247-L250 CarbonylContact O-C 3.57Å; M247-L250 WeakPolarHBondContact O-CA 3.32Å; M247-L250 WeakPolarHBondContact O-CB 3.32Å; M247-L250 PolarHBondContact O-N 3.2Å; M247-L250 HydrophobicContact SD-CD1 4.41Å; M247-T251 WeakPolarHBondContact O-CG2 3.4Å; M247-T251 PolarHBondContact O-N 2.92Å
248E65Low63Low154 Ų154107.6 Ų107.672%0.7258%0.584SS**Hα-helixtrans-59.3-26.9174.7-67.3-68.6142.800114P246 T251P246-E248 PolarHBondContact O-N 3.18Å; P246-E248 VanDerWaalsContact O-N 3.16Å; E248-T251 PolarHBondContact O-OG1 3.33Å
249L65.6Low63.2Low114 Ų114107 Ų10760%0.59758%0.577SS**Hα-helixtrans-81-19.6174-85.9153.6000112.3P246 M247P246-L249 HydrophobicContact CG-CD1 4.22Å; P246-L249 PolarHBondContact O-N 2.94Å; M247-L249 PolarHBondContact O-N 3.18Å
250L66Low63.6Low68 Ų68103.8 Ų103.836%0.35656%0.555SS.*Hα-helixtrans-95.6-23.4-179-63.6171000112.6M247 F253 L254M247-L250 CarbonylContact O-C 3.57Å; M247-L250 WeakPolarHBondContact O-CA 3.32Å; M247-L250 WeakPolarHBondContact O-CB 3.32Å; M247-L250 PolarHBondContact O-N 3.2Å; M247-L250 HydrophobicContact SD-CD1 4.41Å; L250-F253 PolarHBondContact O-N 3.37Å; L250-L254 HydrophobicContact CB-CD1 4.47Å; L250-L254 PolarHBondContact O-N 3.25Å; L250-L254 VanDerWaalsContact O-N 3.13Å
251T64.9Low63.6Low59 Ų59105 Ų10536%0.36255%0.553SS.*Hα-helixtrans-54.8-36.8179.146.70000114.6M247 E248 F253 L254 N255M247-T251 WeakPolarHBondContact O-CG2 3.4Å; M247-T251 PolarHBondContact O-N 2.92Å; E248-T251 PolarHBondContact O-OG1 3.33Å; T251-F253 PolarHBondContact O-N 3.37Å; T251-L254 PolarHBondContact O-N 2.87Å; T251-N255 WeakPolarHBondContact O-CB 3.5Å; T251-N255 PolarHBondContact O-N 3Å
252P65.4Low63.9Low72 Ų72104.9 Ų104.947%0.46855%0.55SS..Hα-helixtrans-68.1-35.7178.3-1731.3000112.8T256P252-T256 WeakPolarHBondContact O-CB 3.38Å; P252-T256 PolarHBondContact O-N 3.37Å; P252-T256 PolarHBondContact O-OG1 3.32Å
253F67.1Low64.2Low156 Ų156103 Ų10368%0.68454%0.541SS*.Hα-helixtrans-73-36.7179.7-69.2-78.6000111.9L250 T251L250-F253 PolarHBondContact O-N 3.37Å; T251-F253 PolarHBondContact O-N 3.37Å
254L63.6Low64.7Low104 Ų104104.4 Ų104.455%0.54555%0.548SS..Hα-helixtrans-71.3-41.3175.6-75.6160.8000112.3L250 T251 T256 Q257L250-L254 HydrophobicContact CB-CD1 4.47Å; L250-L254 PolarHBondContact O-N 3.25Å; L250-L254 VanDerWaalsContact O-N 3.13Å; T251-L254 PolarHBondContact O-N 2.87Å; L254-T256 VanDerWaalsContact C-N 3.33Å; L254-T256 PolarHBondContact O-N 3.47Å; L254-Q257 PolarHBondContact O-N 3.25Å
255N61.4Low65.3Low120 Ų120105.4 Ų105.464%0.64255%0.548SS*.Hα-helixtrans-68.9-30177.7-95.5-9.7000113.3T251 Q257 A258 H259T251-N255 WeakPolarHBondContact O-CB 3.5Å; T251-N255 PolarHBondContact O-N 3Å; N255-Q257 VanDerWaalsContact C-N 3.35Å; N255-A258 PolarHBondContact O-N 3.45Å; N255-H259 PolarHBondContact O-N 3.27Å; N255-H259 VanDerWaalsContact O-N 3.15Å
256T61.3Low65.5Low95 Ų95106.4 Ų106.458%0.58355%0.55SS**Hα-helixtrans-67.5-34.7177.3-63.80000111.9P252 L254 H259 S260P252-T256 WeakPolarHBondContact O-CB 3.38Å; P252-T256 PolarHBondContact O-N 3.37Å; P252-T256 PolarHBondContact O-OG1 3.32Å; L254-T256 VanDerWaalsContact C-N 3.33Å; L254-T256 PolarHBondContact O-N 3.47Å; T256-H259 PolarHBondContact O-N 3.02Å; T256-S260 PolarHBondContact O-N 2.97Å; T256-S260 VanDerWaalsContact O-N 3.09Å; T256-S260 PolarHBondContact O-OG 2.98Å
257Q59.6Low66Low134 Ų134108.8 Ų108.863%0.62656%0.556SS**Hα-helixtrans-65.3-41.5174.1-73.4-168.1-11.200112L254 N255 H259 S260 Q261L254-Q257 PolarHBondContact O-N 3.25Å; N255-Q257 VanDerWaalsContact C-N 3.35Å; Q257-H259 PolarHBondContact O-N 2.69Å; Q257-S260 PolarHBondContact O-N 3.49Å; Q257-S260 PolarHBondContact O-OG 3.45Å; Q257-Q261 PolarHBondContact O-N 3.43Å
258A58.6Low66.5Low51 Ų51107.9 Ų107.942%0.42155%0.55SS.*Hα-helixtrans-63-41.2176.800000112.5N255 Q261 Q262N255-A258 PolarHBondContact O-N 3.45Å; A258-Q261 PolarHBondContact O-N 2.86Å; A258-Q262 PolarHBondContact O-N 3.03Å
259H58.8Low67.2Low126 Ų126106.3 Ų106.358%0.58354%0.543SS*.Hα-helixtrans-68.6-35.6178.7-136.558.1000112.6N255 T256 Q257 Q262 L263N255-H259 PolarHBondContact O-N 3.27Å; N255-H259 VanDerWaalsContact O-N 3.15Å; T256-H259 PolarHBondContact O-N 3.02Å; Q257-H259 PolarHBondContact O-N 2.69Å; H259-Q262 PolarHBondContact O-N 3.21Å; H259-L263 PolarHBondContact O-N 3.05Å; H259-L263 VanDerWaalsContact O-N 3.13Å
260S61.2Low67.7Low53 Ų53106.7 Ų106.737%0.37154%0.542SS..Hα-helixtrans-68.4-34.6177.568.20000113.7T256 Q257 Q264T256-S260 PolarHBondContact O-N 2.97Å; T256-S260 VanDerWaalsContact O-N 3.09Å; T256-S260 PolarHBondContact O-OG 2.98Å; Q257-S260 PolarHBondContact O-N 3.49Å; Q257-S260 PolarHBondContact O-OG 3.45Å; S260-Q264 WeakPolarHBondContact O-CG 3.45Å; S260-Q264 PolarHBondContact O-N 3.28Å
261Q64.5Low68.3Low132 Ų132107.1 Ų107.162%0.61754%0.544SS*.Hα-helixtrans-68.6-38.1173.5-82.7-178.6-500112.3Q257 A258 Q264 L265Q257-Q261 PolarHBondContact O-N 3.43Å; A258-Q261 PolarHBondContact O-N 2.86Å; Q261-Q264 PolarHBondContact O-N 3.38Å; Q261-L265 WeakPolarHBondContact O-CG 3.5Å; Q261-L265 PolarHBondContact O-N 3.14Å; Q261-L265 VanDerWaalsContact O-N 3.16Å
262Q66.6Low68.9Low127 Ų127109.6 Ų109.659%0.59355%0.551SS**Hα-helixtrans-65.9-40.5176.6-105.9169.2-23.600112.8A258 H259 L265 Q266A258-Q262 PolarHBondContact O-N 3.03Å; H259-Q262 PolarHBondContact O-N 3.21Å; Q262-L265 PolarHBondContact O-N 2.9Å; Q262-Q266 PolarHBondContact O-N 3.35Å
263L68.3Low69.4Low103 Ų103111.9 Ų111.954%0.53956%0.556SS.*Hα-helixtrans-65.1-37.1176.5-78.3160000112.6H259 Q266 H267H259-L263 PolarHBondContact O-N 3.05Å; H259-L263 VanDerWaalsContact O-N 3.13Å; L263-Q266 PolarHBondContact O-N 2.75Å; L263-H267 WeakPolarHBondContact O-CB 3.4Å; L263-H267 PolarHBondContact O-N 3.47Å
264Q74.6Confident69.8Low138 Ų138110.3 Ų110.365%0.64555%0.55SS**Hα-helixtrans-67.5-41.2176-74177.3-1.900112.3S260 Q261 H267 Q268S260-Q264 WeakPolarHBondContact O-CG 3.45Å; S260-Q264 PolarHBondContact O-N 3.28Å; Q261-Q264 PolarHBondContact O-N 3.38Å; Q264-H267 PolarHBondContact O-N 2.84Å; Q264-Q268 WeakPolarHBondContact O-CB 3.27Å; Q264-Q268 PolarHBondContact O-N 2.77Å
265L75.1Confident70.3Confident105 Ų105111.8 Ų111.855%0.5555%0.554SS.*Hα-helixtrans-64.3-40175.6-73.7163.3000111.9Q261 Q262 Q268 Q269Q261-L265 WeakPolarHBondContact O-CG 3.5Å; Q261-L265 PolarHBondContact O-N 3.14Å; Q261-L265 VanDerWaalsContact O-N 3.16Å; Q262-L265 PolarHBondContact O-N 2.9Å; L265-Q268 PolarHBondContact O-N 3.11Å; L265-Q269 PolarHBondContact O-N 2.87Å; L265-Q269 VanDerWaalsContact O-N 3.13Å
266Q75.3Confident70.8Confident123 Ų123112.1 Ų112.158%0.57555%0.552SS**Hα-helixtrans-65.9-42.1175.3-112.2180-19.800112.6Q262 L263 Q268 Q269 Q270Q262-Q266 PolarHBondContact O-N 3.35Å; L263-Q266 PolarHBondContact O-N 2.75Å; Q266-Q268 VanDerWaalsContact C-N 3.33Å; Q266-Q268 PolarHBondContact O-N 2.95Å; Q266-Q269 PolarHBondContact O-N 3.45Å; Q266-Q270 PolarHBondContact O-N 2.85Å
267H74.9Confident71.1Confident112 Ų112113.8 Ų113.852%0.51955%0.553SS.*Hα-helixtrans-65-37.7177.8-167.167.2000111.9L263 Q264 Q270 L271L263-H267 WeakPolarHBondContact O-CB 3.4Å; L263-H267 PolarHBondContact O-N 3.47Å; Q264-H267 PolarHBondContact O-N 2.84Å; H267-Q270 PolarHBondContact O-N 3.41Å; H267-L271 WeakPolarHBondContact O-CG 3.29Å; H267-L271 PolarHBondContact O-N 3.36Å
268Q78.1Confident71.3Confident120 Ų120113.6 Ų113.656%0.56155%0.552SS**Hα-helixtrans-67.7-37.2176.6-160170.222.900112.5Q264 L265 Q266 L271 Q272Q264-Q268 WeakPolarHBondContact O-CB 3.27Å; Q264-Q268 PolarHBondContact O-N 2.77Å; L265-Q268 PolarHBondContact O-N 3.11Å; Q266-Q268 VanDerWaalsContact C-N 3.33Å; Q266-Q268 PolarHBondContact O-N 2.95Å; Q268-L271 PolarHBondContact O-N 2.99Å; Q268-Q272 WeakPolarHBondContact O-CG 3.26Å; Q268-Q272 PolarHBondContact O-N 3.25Å; Q268-Q272 VanDerWaalsContact O-N 3.1Å
269Q79.3Confident71.5Confident121 Ų121117.5 Ų117.557%0.56556%0.562SS**Hα-helixtrans-66.7-38.4173-76.1-179.8-9.800112.6L265 Q266 Q272 Q273L265-Q269 PolarHBondContact O-N 2.87Å; L265-Q269 VanDerWaalsContact O-N 3.13Å; Q266-Q269 PolarHBondContact O-N 3.45Å; Q269-Q272 PolarHBondContact O-N 3.4Å; Q269-Q273 PolarHBondContact O-N 2.94Å
270Q77.9Confident71.5Confident122 Ų122118 Ų11857%0.5756%0.564SS**Hα-helixtrans-65.6-40.8175.2-84.2-179-24.100112.6Q266 H267 Q272 Q273 Q274Q266-Q270 PolarHBondContact O-N 2.85Å; H267-Q270 PolarHBondContact O-N 3.41Å; Q270-Q272 VanDerWaalsContact C-N 3.33Å; Q270-Q272 PolarHBondContact O-N 2.91Å; Q270-Q273 PolarHBondContact O-N 2.8Å; Q270-Q274 PolarHBondContact O-N 3.07Å
271L76.9Confident71.4Confident76 Ų76122 Ų12240%0.39858%0.577SS.*Hα-helixtrans-64.4-37.7175.5-73.4167.1000111.9H267 Q268 Q274 Q275H267-L271 WeakPolarHBondContact O-CG 3.29Å; H267-L271 PolarHBondContact O-N 3.36Å; Q268-L271 PolarHBondContact O-N 2.99Å; L271-Q274 PolarHBondContact O-N 2.98Å; L271-Q275 WeakPolarHBondContact O-CG 3.43Å; L271-Q275 PolarHBondContact O-N 3.31Å
272Q79.1Confident71Confident112 Ų112124 Ų12452%0.52359%0.586SS.*Hα-helixtrans-65.5-40.9173.2-77180-8.200112.4Q268 Q269 Q270 Q275 Q276Q268-Q272 WeakPolarHBondContact O-CG 3.26Å; Q268-Q272 PolarHBondContact O-N 3.25Å; Q268-Q272 VanDerWaalsContact O-N 3.1Å; Q269-Q272 PolarHBondContact O-N 3.4Å; Q270-Q272 VanDerWaalsContact C-N 3.33Å; Q270-Q272 PolarHBondContact O-N 2.91Å; Q272-Q275 PolarHBondContact O-N 2.95Å; Q272-Q276 WeakPolarHBondContact O-CG 3.41Å; Q272-Q276 PolarHBondContact O-N 3.24Å
273Q76.3Confident70.6Confident120 Ų120125.6 Ų125.656%0.56159%0.594SS**Hα-helixtrans-64.9-39.7174.6-78-177.812.300112.4Q269 Q270 Q276 Q277Q269-Q273 PolarHBondContact O-N 2.94Å; Q270-Q273 PolarHBondContact O-N 2.8Å; Q273-Q276 PolarHBondContact O-N 2.94Å; Q273-Q277 WeakPolarHBondContact O-CG 3.02Å; Q273-Q277 PolarHBondContact O-N 3.21Å
274Q74.8Confident69.9Low122 Ų122128.2 Ų128.257%0.5760%0.603SS**Hα-helixtrans-64.6-40.3174.2-87.3-174.6-7.400112.4Q270 L271 Q276 Q277 H278Q270-Q274 PolarHBondContact O-N 3.07Å; L271-Q274 PolarHBondContact O-N 2.98Å; Q274-Q276 VanDerWaalsContact C-N 3.35Å; Q274-Q277 PolarHBondContact O-N 3.41Å; Q274-H278 PolarHBondContact O-N 2.94Å
275Q73.9Confident68.6Low135 Ų135130.4 Ų130.463%0.63161%0.613SS**Hα-helixtrans-63.8-39.5174.8-77.6-179.8-000112.2L271 Q272 H278 Q279L271-Q275 WeakPolarHBondContact O-CG 3.43Å; L271-Q275 PolarHBondContact O-N 3.31Å; Q272-Q275 PolarHBondContact O-N 2.95Å; Q275-H278 PolarHBondContact O-N 3.28Å; Q275-Q279 WeakPolarHBondContact O-CG 3.43Å; Q275-Q279 PolarHBondContact O-N 3.39Å
276Q72.3Confident67.3Low127 Ų127131.7 Ų131.759%0.59363%0.627SS**Hα-helixtrans-65.3-39.7174-74.7178-6.800112.2Q272 Q273 Q274 Q279 H280Q272-Q276 WeakPolarHBondContact O-CG 3.41Å; Q272-Q276 PolarHBondContact O-N 3.24Å; Q273-Q276 PolarHBondContact O-N 2.94Å; Q274-Q276 VanDerWaalsContact C-N 3.35Å; Q276-Q279 PolarHBondContact O-N 3.13Å; Q276-H280 PolarHBondContact O-N 3.45Å
277Q67.3Low65.5Low130 Ų130131 Ų13161%0.60764%0.643SS**Hα-helixtrans-66.4-39.6175.2-77-179.4-9.400112.7Q273 Q274 H280 Q281Q273-Q277 WeakPolarHBondContact O-CG 3.02Å; Q273-Q277 PolarHBondContact O-N 3.21Å; Q274-Q277 PolarHBondContact O-N 3.41Å; Q277-H280 PolarHBondContact O-N 2.98Å; Q277-Q281 PolarHBondContact O-N 2.73Å
278H62.9Low63.9Low130 Ų130130.1 Ų130.160%0.60266%0.655SS**Hα-helixtrans-66.8-36.7173.8-92.5-7.2000113Q274 Q275 H280 Q281 Q282Q274-H278 PolarHBondContact O-N 2.94Å; Q275-H278 PolarHBondContact O-N 3.28Å; H278-H280 VanDerWaalsContact C-N 3.34Å; H278-Q281 PolarHBondContact O-N 2.93Å; H278-Q282 PolarHBondContact O-N 3.22Å; H278-Q282 VanDerWaalsContact O-N 3.16Å
279Q63.3Low62.5Low133 Ų133130.5 Ų130.562%0.62167%0.668SS**Hα-helixtrans-64.5-37.2171.9-79.1-177.7-13.800112.4Q275 Q276Q275-Q279 WeakPolarHBondContact O-CG 3.43Å; Q275-Q279 PolarHBondContact O-N 3.39Å; Q276-Q279 PolarHBondContact O-N 3.13Å
280H59.2Low60.6Low137 Ų137128.1 Ų128.163%0.63468%0.676SS**Hα-helixtrans-67.6-35.8173.5-95.126.3000113.3Q276 Q277 H278 Q283Q276-H280 PolarHBondContact O-N 3.45Å; Q277-H280 PolarHBondContact O-N 2.98Å; H278-H280 VanDerWaalsContact C-N 3.34Å; H280-Q283 PolarHBondContact O-N 2.88Å
281Q58.6Low58.7Low137 Ų137129.1 Ų129.164%0.6469%0.691SS**Hα-helixtrans-70.2-31.2176.8-89.3176.5-11.700113.6Q277 H278 Q283Q277-Q281 PolarHBondContact O-N 2.73Å; H278-Q281 PolarHBondContact O-N 2.93Å; Q281-Q283 VanDerWaalsContact C-N 3.28Å; Q281-Q283 PolarHBondContact O-N 3.15Å
282Q57.4Low57.6Low174 Ų174130.3 Ų130.381%0.81370%0.703SS**Hα-helixtrans-73.4-14.3175.4-83.8180-3.600114.2H278H278-Q282 PolarHBondContact O-N 3.22Å; H278-Q282 VanDerWaalsContact O-N 3.16Å
283Q57.5Low55.6Low160 Ų160132.4 Ų132.475%0.74872%0.717SS**THydrogen-bonded Turntrans-90.2-0.7178.3-83.7175.1-12.700114.7H280 Q281H280-Q283 PolarHBondContact O-N 2.88Å; Q281-Q283 VanDerWaalsContact C-N 3.28Å; Q281-Q283 PolarHBondContact O-N 3.15Å
284Q53Low53.7Low158 Ų158133.8 Ų133.874%0.73872%0.723SS**SBendtrans-113.221.9-172.2-84.3-177.2-5.900116.7
285H48.3Very low51.8Low185 Ų185137.9 Ų137.986%0.85673%0.733SS**  trans-124.1115.2169.1-94.342.3000112.3
286P46.8Very low50Low131 Ų131140 Ų14085%0.85174%0.743SS**  trans-90.9132.7176.933.2-27.9000111.5
287A38.7Very low49.3Very low109 Ų109138.1 Ų138.190%0.90174%0.742SS**  trans-113.8121.4167.700000109.7
288A41.2Very low47.9Very low94 Ų94139.6 Ų139.678%0.77775%0.748SS**  trans-112.4176.318000000110.3
289P47.9Very low46.7Very low128 Ų128140.3 Ų140.383%0.83175%0.752SS**  -107.2166.2-113.813.59.9000114.2
290G38.9Very low45.5Very low71 Ų71140.5 Ų140.573%0.73275%0.752SS**  trans-81.1170.9-176.900000116.7
291T39.5Very low44.6Very low143 Ų143141 Ų14188%0.87776%0.755SS**  trans-171162.8154.91.60000109.4
292P52.3Low43.8Very low101 Ų101146.7 Ų146.766%0.65678%0.781SS**  -132.4-177.2-110.338.1-18.1000116.7
293L37.6Very low43.2Very low155 Ų155145.3 Ų145.381%0.81278%0.78SS**  trans72.4113150-92146.7000119.7
294H35.9Very low42.4Very low150 Ų150144.5 Ų144.569%0.69478%0.781SS**  -170.5135.8108.9-13523.5000115.3
295R35.8Very low41.8Very low207 Ų207143.8 Ų143.878%0.78178%0.784SS**  trans38.1116.3149.3-85178.2176.5162.4-2.7123.2
296H35.5Very low41.4Very low181 Ų181141.4 Ų141.484%0.83878%0.779SS**  8.9166.1123.4-103.710.5000121.1
297P57.3Low41.1Very low87 Ų87142 Ų14257%0.56578%0.775SS**  cis-136.2-178.6-33.933.5-13.4000111.8
298H37.9Very low41.3Very low161 Ų161144.2 Ų144.275%0.74577%0.766SS**  trans161.6113.3140.6-88.9-71.3000108.2
299Q38.1Very low41.3Very low145 Ų145147.8 Ų147.868%0.67877%0.766SS**  8113178.2-123.8-174.4-0.200114.6
300H38.5Very low40.8Very low136 Ų136149.3 Ų149.363%0.6376%0.761SS**  trans70.4146.5161.7-69.4-72.8000116.9
301H39.9Very low40.9Very low148 Ų148155.8 Ų155.869%0.68576%0.763SS**  cis-167.6152.7-4.4-128.6-7.1000106.4
302Q42.7Very low41Very low256 Ų256157 Ų157100%1.19675%0.753SS**  trans71.90160.4-65.6-177.95.500118.3

Retrieved 302 of 302 residues in 84 ms (Link to these results)

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