A0A5K4F7U6_SCHMA Loading...

Aquaporin-9

AlphaFold DB , UniProt , Accession A0A5K4F7U6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 304 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
1M71.1Confident82.2Confident241 Ų241109 Ų109100%1.18757%0.571SS**  0122.90-81179.9-145.500107.6S3M1-S3 PolarHBondContact O-N 2.82Å
2V75.7Confident82.3Confident74 Ų74108 Ų10845%0.44856%0.561SS.*  trans-64126.6170.6-179.50000107.8E6 K7V2-E6 WeakPolarHBondContact CA-OE2 3.1Å; V2-E6 HydrophobicContact CG1-CB 3.42Å; V2-E6 VanDerWaalsContact CG1-CB 3.42Å; V2-E6 HydrophobicContact CG1-CG 4.45Å; V2-E6 WeakPolarHBondContact CG1-OE2 3.43Å; V2-K7 HydrophobicContact CB-CG 4.26Å; V2-K7 HydrophobicContact CG1-CG 3.72Å
3S84.9Confident82.5Confident45 Ų45107.6 Ų107.632%0.31556%0.555SS.*  trans-65.7160.8-177.272.50000111.2M1 S5 E6 K7M1-S3 PolarHBondContact O-N 2.82Å; S3-S5 PolarHBondContact O-N 3.19Å; S3-S5 PolarHBondContact OG-OG 2.99Å; S3-E6 PolarHBondContact N-OE2 2.77Å; S3-E6 PolarHBondContact O-N 2.92Å; S3-E6 WeakPolarHBondContact OG-CB 3.28Å; S3-E6 VanDerWaalsContact OG-CG 3.26Å; S3-E6 WeakPolarHBondContact OG-CG 3.31Å; S3-E6 PolarHBondContact OG-N 2.91Å; S3-E6 VanDerWaalsContact OG-N 3.16Å; S3-K7 PolarHBondContact O-N 3.05Å
4C84.5Confident82.8Confident114 Ų114106.5 Ų106.577%0.7755%0.549SS*.Hα-helixtrans-60.8-37.1177.4-164.60000111.7K7 Y8C4-K7 PolarHBondContact O-N 3.38Å; C4-Y8 WeakPolarHBondContact O-CB 3.36Å; C4-Y8 PolarHBondContact O-N 3.02Å
5S86.2Confident83.1Confident86 Ų86105.1 Ų105.160%0.60155%0.547SS*.Hα-helixtrans-66-41.7176.253.90000112.2S3 Y8 A9S3-S5 PolarHBondContact O-N 3.19Å; S3-S5 PolarHBondContact OG-OG 2.99Å; S5-Y8 PolarHBondContact O-N 3.12Å; S5-A9 WeakPolarHBondContact O-CB 3.33Å; S5-A9 PolarHBondContact O-N 3.49Å
6E83.8Confident83.2Confident98 Ų98101 Ų10146%0.45853%0.533SS..Hα-helixtrans-64.4-41.7174.8-76168.5174.700111.9V2 S3 Y8 A9 N10V2-E6 WeakPolarHBondContact CA-OE2 3.1Å; V2-E6 HydrophobicContact CG1-CB 3.42Å; V2-E6 VanDerWaalsContact CG1-CB 3.42Å; V2-E6 HydrophobicContact CG1-CG 4.45Å; V2-E6 WeakPolarHBondContact CG1-OE2 3.43Å; S3-E6 PolarHBondContact N-OE2 2.77Å; S3-E6 PolarHBondContact O-N 2.92Å; S3-E6 WeakPolarHBondContact OG-CB 3.28Å; S3-E6 VanDerWaalsContact OG-CG 3.26Å; S3-E6 WeakPolarHBondContact OG-CG 3.31Å; S3-E6 PolarHBondContact OG-N 2.91Å; S3-E6 VanDerWaalsContact OG-N 3.16Å; E6-Y8 VanDerWaalsContact C-N 3.29Å; E6-Y8 PolarHBondContact O-N 2.71Å; E6-A9 PolarHBondContact O-N 3.19Å; E6-N10 VanDerWaalsContact O-CB 3.29Å; E6-N10 WeakPolarHBondContact O-CB 3.46Å; E6-N10 PolarHBondContact O-N 3.31Å; E6-N10 PolarHBondContact O-ND2 2.82Å
7K81Confident83.2Confident127 Ų12799.9 Ų99.955%0.55253%0.528SS*.Hα-helixtrans-61.9-39.4174.4-71.2-176.2-175.3178.80111.7V2 S3 C4 K11V2-K7 HydrophobicContact CB-CG 4.26Å; V2-K7 HydrophobicContact CG1-CG 3.72Å; S3-K7 PolarHBondContact O-N 3.05Å; C4-K7 PolarHBondContact O-N 3.38Å; K7-K11 WeakPolarHBondContact O-CG 3.23Å; K7-K11 PolarHBondContact O-N 3.39Å; K7-K11 VanDerWaalsContact O-N 3.11Å
8Y82Confident83.3Confident146 Ų146105.9 Ų105.957%0.57354%0.542SS*.Hα-helixtrans-67.5-48.5177-179.6-104000111.7C4 S5 E6 N10 K11 Q12C4-Y8 WeakPolarHBondContact O-CB 3.36Å; C4-Y8 PolarHBondContact O-N 3.02Å; S5-Y8 PolarHBondContact O-N 3.12Å; E6-Y8 VanDerWaalsContact C-N 3.29Å; E6-Y8 PolarHBondContact O-N 2.71Å; Y8-N10 VanDerWaalsContact C-N 3.33Å; Y8-N10 PolarHBondContact O-N 3.23Å; Y8-K11 PolarHBondContact O-N 3Å; Y8-K11 VanDerWaalsContact O-N 3.15Å; Y8-Q12 HydrophobicContact CD1-CG 4.41Å; Y8-Q12 HydrophobicContact CE1-CG 4.07Å; Y8-Q12 VanDerWaalsContact CZ-NE2 3.32Å; Y8-Q12 WeakPolarHBondContact O-CG 3.39Å; Y8-Q12 PolarHBondContact O-N 2.89Å; Y8-Q12 PolarHBondContact OH-NE2 3.2Å; Y8-Q12 VanDerWaalsContact OH-NE2 3.09Å
9A84.6Confident83.4Confident32 Ų32107.1 Ų107.126%0.26455%0.549SS..Hα-helixtrans-57.9-44.7175.400000111.4S5 E6 K11 Q12 H13S5-A9 WeakPolarHBondContact O-CB 3.33Å; S5-A9 PolarHBondContact O-N 3.49Å; E6-A9 PolarHBondContact O-N 3.19Å; A9-K11 PolarHBondContact O-N 3.42Å; A9-Q12 WeakPolarHBondContact O-CB 3.29Å; A9-Q12 PolarHBondContact O-N 3.36Å; A9-Q12 VanDerWaalsContact O-N 3.15Å; A9-H13 PolarHBondContact O-CD2 2.97Å; A9-H13 PolarHBondContact O-N 3.29Å
10N85.6Confident83.4Confident89 Ų89108.8 Ų108.848%0.47655%0.548SS..Hα-helixtrans-60.3-42.1176.2-75.2-22.3000112.3E6 Y8 H13 I14E6-N10 VanDerWaalsContact O-CB 3.29Å; E6-N10 WeakPolarHBondContact O-CB 3.46Å; E6-N10 PolarHBondContact O-N 3.31Å; E6-N10 PolarHBondContact O-ND2 2.82Å; Y8-N10 VanDerWaalsContact C-N 3.33Å; Y8-N10 PolarHBondContact O-N 3.23Å; N10-H13 PolarHBondContact O-N 3.15Å; N10-I14 WeakPolarHBondContact O-CD1 3.45Å; N10-I14 VanDerWaalsContact O-CG1 3.23Å; N10-I14 WeakPolarHBondContact O-CG1 3.33Å; N10-I14 PolarHBondContact O-N 2.96Å
11K85.1Confident83.4Confident147 Ų147107 Ų10764%0.63954%0.539SS*.Hα-helixtrans-62.4-43174.2-76.1-178.8179.9-175.90111.7K7 Y8 A9 I14 V15K7-K11 WeakPolarHBondContact O-CG 3.23Å; K7-K11 PolarHBondContact O-N 3.39Å; K7-K11 VanDerWaalsContact O-N 3.11Å; Y8-K11 PolarHBondContact O-N 3Å; Y8-K11 VanDerWaalsContact O-N 3.15Å; A9-K11 PolarHBondContact O-N 3.42Å; K11-I14 PolarHBondContact O-N 3.07Å; K11-V15 WeakPolarHBondContact O-CG2 3.44Å; K11-V15 PolarHBondContact O-N 3.07Å
12Q82.5Confident83.7Confident97 Ų9799.4 Ų99.445%0.45351%0.507SS..Hα-helixtrans-63.2-42.9176.6-69.2-177.6-48.100111.8Y8 A9 V15 A16Y8-Q12 HydrophobicContact CD1-CG 4.41Å; Y8-Q12 HydrophobicContact CE1-CG 4.07Å; Y8-Q12 VanDerWaalsContact CZ-NE2 3.32Å; Y8-Q12 WeakPolarHBondContact O-CG 3.39Å; Y8-Q12 PolarHBondContact O-N 2.89Å; Y8-Q12 PolarHBondContact OH-NE2 3.2Å; Y8-Q12 VanDerWaalsContact OH-NE2 3.09Å; A9-Q12 WeakPolarHBondContact O-CB 3.29Å; A9-Q12 PolarHBondContact O-N 3.36Å; A9-Q12 VanDerWaalsContact O-N 3.15Å; Q12-V15 PolarHBondContact O-N 3.06Å; Q12-A16 VanDerWaalsContact O-CB 3.3Å; Q12-A16 WeakPolarHBondContact O-CB 3.21Å; Q12-A16 PolarHBondContact O-N 2.95Å
13H85.8Confident84.1Confident103 Ų103101.5 Ų101.548%0.47753%0.525SS..Hα-helixtrans-62.5-43.9176.1-74.3-58000112A9 N10 V15 A16 D17A9-H13 PolarHBondContact O-CD2 2.97Å; A9-H13 PolarHBondContact O-N 3.29Å; N10-H13 PolarHBondContact O-N 3.15Å; H13-V15 PolarHBondContact O-N 3.36Å; H13-A16 PolarHBondContact O-N 3.25Å; H13-D17 WeakPolarHBondContact O-CB 3.36Å; H13-D17 VanDerWaalsContact O-CG 3.25Å; H13-D17 PolarHBondContact O-N 3.19Å
14I86.3Confident84.3Confident92 Ų92101.3 Ų101.347%0.47252%0.524SS..Hα-helixtrans-61.6-43.7176.5-68.6163.6000111.4N10 K11 R18N10-I14 WeakPolarHBondContact O-CD1 3.45Å; N10-I14 VanDerWaalsContact O-CG1 3.23Å; N10-I14 WeakPolarHBondContact O-CG1 3.33Å; N10-I14 PolarHBondContact O-N 2.96Å; K11-I14 PolarHBondContact O-N 3.07Å; I14-R18 WeakPolarHBondContact O-CG 3.49Å; I14-R18 PolarHBondContact O-N 3.26Å; I14-R18 VanDerWaalsContact O-N 3.15Å
15V86.9Confident84.5Confident85 Ų8599.7 Ų99.752%0.51551%0.512SS..Hα-helixtrans-65.2-44.4177173.20000110.5K11 Q12 H13 D17 R18 L19K11-V15 WeakPolarHBondContact O-CG2 3.44Å; K11-V15 PolarHBondContact O-N 3.07Å; Q12-V15 PolarHBondContact O-N 3.06Å; H13-V15 PolarHBondContact O-N 3.36Å; V15-D17 PolarHBondContact O-N 2.89Å; V15-R18 PolarHBondContact O-N 3.06Å; V15-L19 HydrophobicContact CG1-CD1 3.97Å; V15-L19 WeakPolarHBondContact O-CG 3.31Å; V15-L19 PolarHBondContact O-N 3.3Å; V15-L19 VanDerWaalsContact O-N 3.13Å
16A85.2Confident84.7Confident40 Ų4098 Ų9833%0.33150%0.496SS..Hα-helixtrans-61-45.7177.100000111.4Q12 H13 R18 L19 R20Q12-A16 VanDerWaalsContact O-CB 3.3Å; Q12-A16 WeakPolarHBondContact O-CB 3.21Å; Q12-A16 PolarHBondContact O-N 2.95Å; H13-A16 PolarHBondContact O-N 3.25Å; A16-R18 VanDerWaalsContact C-N 3.25Å; A16-R18 PolarHBondContact O-N 2.96Å; A16-L19 CarbonylContact O-C 3.23Å; A16-L19 PolarHBondContact O-N 3.26Å; A16-R20 VanDerWaalsContact O-CG 3.29Å; A16-R20 WeakPolarHBondContact O-CG 3.05Å; A16-R20 PolarHBondContact O-N 2.79Å
17D83.5Confident85.2Confident83 Ų8396.4 Ų96.444%0.44449%0.493SS..Hα-helixtrans-60.6-34.4178.6-74.9-25.4000112.7H13 V15 R20H13-D17 WeakPolarHBondContact O-CB 3.36Å; H13-D17 VanDerWaalsContact O-CG 3.25Å; H13-D17 PolarHBondContact O-N 3.19Å; V15-D17 PolarHBondContact O-N 2.89Å; D17-R20 WeakPolarHBondContact OD1-CD 3.29Å; D17-R20 IonicContact OD1-CZ 3.06Å; D17-R20 IonicContact OD1-NE 3.3Å; D17-R20 PolarHBondContact OD1-NE 3.01Å; D17-R20 IonicContact OD1-NH1 2.66Å; D17-R20 PolarHBondContact OD1-NH1 3.13Å; D17-R20 IonicContact OD1-NH2 3.92Å
18R84.1Confident85.7Confident207 Ų20794.8 Ų94.878%0.78148%0.483SS*.Hα-helixtrans-72.1-29.3173.8-70.9175.3-178.7-166.90113.4I14 V15 A16I14-R18 WeakPolarHBondContact O-CG 3.49Å; I14-R18 PolarHBondContact O-N 3.26Å; I14-R18 VanDerWaalsContact O-N 3.15Å; V15-R18 PolarHBondContact O-N 3.06Å; A16-R18 VanDerWaalsContact C-N 3.25Å; A16-R18 PolarHBondContact O-N 2.96Å
19L85.5Confident86.3Confident128 Ų12887.9 Ų87.967%0.6746%0.456SS*.Hα-helixtrans-90.8-14.1178.5-64.8175000112.8V15 A16 L21V15-L19 HydrophobicContact CG1-CD1 3.97Å; V15-L19 WeakPolarHBondContact O-CG 3.31Å; V15-L19 PolarHBondContact O-N 3.3Å; V15-L19 VanDerWaalsContact O-N 3.13Å; A16-L19 CarbonylContact O-C 3.23Å; A16-L19 PolarHBondContact O-N 3.26Å; L19-L21 PolarHBondContact O-N 3.3Å
20R83.8Confident86.9Confident142 Ų14286.6 Ų86.654%0.53645%0.445SS..  trans-61123.1-178.5-89.5177.1-172.9-179.7-7.1109.9A16 D17 T22A16-R20 VanDerWaalsContact O-CG 3.29Å; A16-R20 WeakPolarHBondContact O-CG 3.05Å; A16-R20 PolarHBondContact O-N 2.79Å; D17-R20 WeakPolarHBondContact OD1-CD 3.29Å; D17-R20 IonicContact OD1-CZ 3.06Å; D17-R20 IonicContact OD1-NE 3.3Å; D17-R20 PolarHBondContact OD1-NE 3.01Å; D17-R20 IonicContact OD1-NH1 2.66Å; D17-R20 PolarHBondContact OD1-NH1 3.13Å; D17-R20 IonicContact OD1-NH2 3.92Å; R20-T22 HydrophobicContact CB-CG2 4.26Å; R20-T22 PolarHBondContact O-N 2.66Å
21L82.5Confident87.3Confident70 Ų7086.2 Ų86.237%0.36644%0.443SS..  trans-90.727.9177.2-61.8169.9000111.9L19 S23 S24 V27 R28 L31L19-L21 PolarHBondContact O-N 3.3Å; L21-S23 PolarHBondContact O-N 3.3Å; L21-S24 CarbonylContact O-C 3.47Å; L21-S24 PolarHBondContact O-N 3.5Å; L21-V27 HydrophobicContact CD1-CG1 3.83Å; L21-R28 HydrophobicContact CB-CG 3.65Å; L21-R28 WeakPolarHBondContact O-CD 3.32Å; L21-R28 VanDerWaalsContact O-CG 3.31Å; L21-R28 WeakPolarHBondContact O-CG 3.44Å; L21-L31 HydrophobicContact CD1-CD1 3.37Å
22T78Confident87.9Confident83 Ų8379.3 Ų79.351%0.50941%0.413SS..THydrogen-bonded Turntrans-57.8-34-174.845.30000112.4R20 S24R20-T22 HydrophobicContact CB-CG2 4.26Å; R20-T22 PolarHBondContact O-N 2.66Å; T22-S24 PolarHBondContact O-N 2.78Å
23S83.6Confident88.6Confident117 Ų11774.7 Ų74.782%0.81839%0.392SS*.THydrogen-bonded Turntrans-75.4-5.1175.7-51.20000114.6L21L21-S23 PolarHBondContact O-N 3.3Å
24S89.1Confident89.2Confident42 Ų4271.7 Ų71.729%0.29438%0.377SS..  trans-127.979.4179.3-167.80000111.9L21 T22 L26 V27 R28L21-S24 CarbonylContact O-C 3.47Å; L21-S24 PolarHBondContact O-N 3.5Å; T22-S24 PolarHBondContact O-N 2.78Å; S24-L26 PolarHBondContact O-N 2.84Å; S24-V27 PolarHBondContact O-N 3.35Å; S24-V27 WeakPolarHBondContact OG-CB 3.38Å; S24-V27 WeakPolarHBondContact OG-CG2 3.37Å; S24-R28 PolarHBondContact O-N 2.95Å
25P89Confident89.7Confident79 Ų7971 Ų7151%0.51337%0.373SS..Hα-helixtrans-57.6-35.3-179.5-25.634.6000113.6A29P25-A29 WeakPolarHBondContact O-CB 3.3Å; P25-A29 PolarHBondContact O-N 3.26Å
26L91.7Very high90.3Very high52 Ų5267 Ų6727%0.27235%0.349SS..Hα-helixtrans-65.7-45.7177.8177.460000111.7S24 A29 C30 R108 F111 Y112S24-L26 PolarHBondContact O-N 2.84Å; L26-A29 PolarHBondContact O-N 3.04Å; L26-C30 WeakPolarHBondContact O-CB 3.35Å; L26-C30 PolarHBondContact O-N 3.44Å; L26-C30 PolarHBondContact O-SG 3.4Å; L26-R108 HydrophobicContact CD1-CG 4.08Å; L26-F111 HydrophobicContact CD1-CB 4.44Å; L26-F111 HydrophobicContact CD1-CD2 4.43Å; L26-F111 HydrophobicContact CD2-CD2 4.03Å; L26-F111 HydrophobicContact CD2-CE2 4.19Å; L26-F111 HydrophobicContact CD2-CG 4.41Å; L26-Y112 HydrophobicContact CD1-CE1 4.41Å
27V92.9Very high90.9Very high64 Ų6465.1 Ų65.139%0.38833%0.333SS..Hα-helixtrans-66.5-41.3-179.7178.90000110.1L21 S24 A29 C30 L31L21-V27 HydrophobicContact CD1-CG1 3.83Å; S24-V27 PolarHBondContact O-N 3.35Å; S24-V27 WeakPolarHBondContact OG-CB 3.38Å; S24-V27 WeakPolarHBondContact OG-CG2 3.37Å; V27-A29 VanDerWaalsContact C-N 3.31Å; V27-A29 PolarHBondContact O-N 3.41Å; V27-C30 PolarHBondContact O-N 3.15Å; V27-L31 HydrophobicContact CG1-CD1 4.42Å; V27-L31 WeakPolarHBondContact O-CG 3.29Å; V27-L31 PolarHBondContact O-N 3.15Å
28R92.9Very high91.6Very high92 Ų9262.3 Ų62.335%0.34732%0.318SS..Hα-helixtrans-56.3-46.3172.5-74178.360.1-164.6-0.2111.9L21 S24 L31 G32 C85L21-R28 HydrophobicContact CB-CG 3.65Å; L21-R28 WeakPolarHBondContact O-CD 3.32Å; L21-R28 VanDerWaalsContact O-CG 3.31Å; L21-R28 WeakPolarHBondContact O-CG 3.44Å; S24-R28 PolarHBondContact O-N 2.95Å; R28-L31 PolarHBondContact O-N 3.11Å; R28-G32 PolarHBondContact O-N 2.83Å; R28-C85 CarbonylContact C-O 3.5Å; R28-C85 VanDerWaalsContact C-O 3.23Å
29A94.6Very high92.3Very high2 Ų253.4 Ų53.42%0.01729%0.286CS..Hα-helixtrans-64.5-43.1178.900000112.1P25 L26 V27 L31 G32 E33 C85 Y112P25-A29 WeakPolarHBondContact O-CB 3.3Å; P25-A29 PolarHBondContact O-N 3.26Å; L26-A29 PolarHBondContact O-N 3.04Å; V27-A29 VanDerWaalsContact C-N 3.31Å; V27-A29 PolarHBondContact O-N 3.41Å; A29-L31 VanDerWaalsContact C-N 3.31Å; A29-L31 PolarHBondContact O-N 3.26Å; A29-G32 PolarHBondContact O-N 3.38Å; A29-G32 VanDerWaalsContact O-N 3.13Å; A29-E33 WeakPolarHBondContact O-CG 3.46Å; A29-E33 PolarHBondContact O-N 3.04Å; A29-C85 WeakPolarHBondContact CA-O 3.23Å; A29-C85 PolarHBondContact N-O 2.86Å; A29-C85 VanDerWaalsContact N-O 3.11Å; A29-Y112 HydrophobicContact CB-CE1 3.71Å; A29-Y112 WeakPolarHBondContact CB-OH 3.37Å
30C96.2Very high93Very high5 Ų547.8 Ų47.83%0.03426%0.256CS..Hα-helixtrans-60.4-39.5175.6-67.90000112.5L26 V27 E33 F34 F115L26-C30 WeakPolarHBondContact O-CB 3.35Å; L26-C30 PolarHBondContact O-N 3.44Å; L26-C30 PolarHBondContact O-SG 3.4Å; V27-C30 PolarHBondContact O-N 3.15Å; C30-E33 PolarHBondContact O-N 2.97Å; C30-F34 WeakPolarHBondContact O-CB 3.19Å; C30-F34 PolarHBondContact O-N 3.43Å; C30-F115 HydrophobicContact CB-CD2 3.48Å; C30-F115 VanDerWaalsContact CB-CD2 3.48Å; C30-F115 HydrophobicContact CB-CE2 3.75Å; C30-F115 HydrophobicContact CB-CG 4.01Å; C30-F115 HydrophobicContact CB-CZ 4.47Å
31L95Very high93.7Very high80 Ų8041 Ų4142%0.41923%0.231SC..Hα-helixtrans-65.6-38.9174.2-72.7172.9000112.3L21 V27 R28 A29 M35L21-L31 HydrophobicContact CD1-CD1 3.37Å; V27-L31 HydrophobicContact CG1-CD1 4.42Å; V27-L31 WeakPolarHBondContact O-CG 3.29Å; V27-L31 PolarHBondContact O-N 3.15Å; R28-L31 PolarHBondContact O-N 3.11Å; A29-L31 VanDerWaalsContact C-N 3.31Å; A29-L31 PolarHBondContact O-N 3.26Å; L31-M35 WeakPolarHBondContact O-CB 3.34Å; L31-M35 PolarHBondContact O-N 2.99Å
32G96.4Very high94.4Very high2 Ų240 Ų402%0.02123%0.225CC..Hα-helixtrans-61-52.7172.900000111.8R28 A29 F34 M35 G36 S82R28-G32 PolarHBondContact O-N 2.83Å; A29-G32 PolarHBondContact O-N 3.38Å; A29-G32 VanDerWaalsContact O-N 3.13Å; G32-F34 VanDerWaalsContact C-N 3.31Å; G32-F34 PolarHBondContact O-N 3.41Å; G32-M35 PolarHBondContact O-N 2.92Å; G32-G36 PolarHBondContact O-N 2.86Å; G32-S82 WeakPolarHBondContact O-CB 3.45Å
33E97.9Very high95.4Very high0 Ų040.3 Ų40.30%022%0.22CC..Hα-helixtrans-60.1-39.3177.9-66.1-63.1146.800112.4A29 C30 S37 S87 G88 H89 C90 Y112 Q116A29-E33 WeakPolarHBondContact O-CG 3.46Å; A29-E33 PolarHBondContact O-N 3.04Å; C30-E33 PolarHBondContact O-N 2.97Å; E33-S37 VanDerWaalsContact O-CB 3.28Å; E33-S37 WeakPolarHBondContact O-CB 3.4Å; E33-S37 PolarHBondContact O-N 3.4Å; E33-S37 VanDerWaalsContact O-N 3.07Å; E33-S37 PolarHBondContact O-OG 2.9Å; E33-S87 PolarHBondContact OE1-N 3.33Å; E33-G88 PolarHBondContact OE1-N 3.39Å; E33-H89 PolarHBondContact OE1-N 3.07Å; E33-H89 PolarHBondContact OE2-N 3.48Å; E33-C90 WeakPolarHBondContact OE2-CA 3.37Å; E33-C90 PolarHBondContact OE2-N 3.43Å; E33-Y112 HydrophobicContact CG-CD1 4.13Å; E33-Y112 HydrophobicContact CG-CD2 3.74Å; E33-Y112 HydrophobicContact CG-CE1 4.27Å; E33-Y112 HydrophobicContact CG-CE2 3.9Å; E33-Y112 HydrophobicContact CG-CG 3.88Å; E33-Q116 HydrophobicContact CB-CG 4.07Å; E33-Q116 PolarHBondContact OE2-NE2 2.69Å
34F97.8Very high96.2Very high41 Ų4134.8 Ų34.818%0.1818%0.181CC..Hα-helixtrans-61.6-54.9174.1174-112.3000111.9C30 G32 S37 I38 F115 L118 L122C30-F34 WeakPolarHBondContact O-CB 3.19Å; C30-F34 PolarHBondContact O-N 3.43Å; G32-F34 VanDerWaalsContact C-N 3.31Å; G32-F34 PolarHBondContact O-N 3.41Å; F34-S37 PolarHBondContact O-N 3.45Å; F34-I38 HydrophobicContact CD1-CD1 4.14Å; F34-I38 HydrophobicContact CD2-CD1 4.49Å; F34-I38 HydrophobicContact CE1-CD1 3.61Å; F34-I38 HydrophobicContact CE2-CD1 3.98Å; F34-I38 HydrophobicContact CZ-CD1 3.54Å; F34-I38 PolarHBondContact O-N 3.06Å; F34-F115 HydrophobicContact CB-CB 4.08Å; F34-F115 HydrophobicContact CB-CD1 4.02Å; F34-F115 HydrophobicContact CB-CG 4.45Å; F34-F115 HydrophobicContact CD2-CD1 4.22Å; F34-F115 HydrophobicContact CG-CD1 4.28Å; F34-L118 HydrophobicContact CD2-CB 4.47Å; F34-L118 HydrophobicContact CD2-CD2 4.44Å; F34-L118 HydrophobicContact CD2-CG 4.41Å; F34-L118 HydrophobicContact CE2-CB 4.39Å; F34-L118 HydrophobicContact CE2-CD2 4.03Å; F34-L118 HydrophobicContact CE2-CG 3.9Å; F34-L122 HydrophobicContact CE2-CD1 3.81Å; F34-L122 HydrophobicContact CZ-CD1 3.67Å
35M97.6Very high96.6Very high78 Ų7832.8 Ų32.838%0.38417%0.167SC..Hα-helixtrans-65.7-43.8-177.3-175.257.467.200111.5L31 G32 S37 I38 I39 F81L31-M35 WeakPolarHBondContact O-CB 3.34Å; L31-M35 PolarHBondContact O-N 2.99Å; G32-M35 PolarHBondContact O-N 2.92Å; M35-S37 VanDerWaalsContact C-N 3.27Å; M35-S37 PolarHBondContact O-N 3.18Å; M35-I38 WeakPolarHBondContact O-CB 3.45Å; M35-I38 PolarHBondContact O-N 3.37Å; M35-I39 WeakPolarHBondContact O-CG1 3.38Å; M35-I39 PolarHBondContact O-N 3.4Å; M35-I39 HydrophobicContact SD-CG1 4.42Å; M35-F81 HydrophobicContact CG-CB 4.27Å; M35-F81 HydrophobicContact CG-CD1 3.93Å
36G98.3Very high97.1Very high0 Ų029.6 Ų29.60%015%0.148CC..Hα-helixtrans-59.3-38.8175.400000112.3G32 I39 L40 A78 C90G32-G36 PolarHBondContact O-N 2.86Å; G36-I39 PolarHBondContact O-N 3.48Å; G36-L40 WeakPolarHBondContact O-CB 3.44Å; G36-L40 PolarHBondContact O-N 2.8Å; G36-A78 VanDerWaalsContact O-CB 3.24Å; G36-A78 WeakPolarHBondContact O-CB 3.38Å; G36-C90 VanDerWaalsContact C-SG 3.55Å; G36-C90 VanDerWaalsContact CA-SG 3.57Å
37S98.7Very high97.4Very high1 Ų128.2 Ų28.21%0.00714%0.142CC..Hα-helixtrans-70.1-33.1177.2-570000113.2E33 F34 M35 M41 Q116E33-S37 VanDerWaalsContact O-CB 3.28Å; E33-S37 WeakPolarHBondContact O-CB 3.4Å; E33-S37 PolarHBondContact O-N 3.4Å; E33-S37 VanDerWaalsContact O-N 3.07Å; E33-S37 PolarHBondContact O-OG 2.9Å; F34-S37 PolarHBondContact O-N 3.45Å; M35-S37 VanDerWaalsContact C-N 3.27Å; M35-S37 PolarHBondContact O-N 3.18Å; S37-M41 PolarHBondContact O-N 3.35Å; S37-Q116 WeakPolarHBondContact CB-O 3.37Å; S37-Q116 WeakPolarHBondContact OG-CA 3.43Å
38I98.8Very high97.7Very high23 Ų2326.1 Ų26.112%0.11813%0.128CC..Hα-helixtrans-60.2-52.9169.2-70.9171.9000109.7F34 M35 L40 M41 I42 G119 L122F34-I38 HydrophobicContact CD1-CD1 4.14Å; F34-I38 HydrophobicContact CD2-CD1 4.49Å; F34-I38 HydrophobicContact CE1-CD1 3.61Å; F34-I38 HydrophobicContact CE2-CD1 3.98Å; F34-I38 HydrophobicContact CZ-CD1 3.54Å; F34-I38 PolarHBondContact O-N 3.06Å; M35-I38 WeakPolarHBondContact O-CB 3.45Å; M35-I38 PolarHBondContact O-N 3.37Å; I38-L40 VanDerWaalsContact C-N 3.34Å; I38-L40 PolarHBondContact O-N 2.79Å; I38-M41 PolarHBondContact O-N 3.04Å; I38-I42 HydrophobicContact CG2-CD1 3.62Å; I38-I42 HydrophobicContact CG2-CG1 4.3Å; I38-I42 WeakPolarHBondContact O-CG1 3.33Å; I38-I42 PolarHBondContact O-N 3.15Å; I38-G119 WeakPolarHBondContact CA-O 3.25Å; I38-G119 VanDerWaalsContact CG1-O 3.27Å; I38-G119 WeakPolarHBondContact CG1-O 3.45Å; I38-L122 HydrophobicContact CD1-CB 4.49Å; I38-L122 HydrophobicContact CG1-CB 4.32Å
39I98.6Very high97.9Very high21 Ų2121.7 Ų21.711%0.10811%0.112CC..Hα-helixtrans-62.2-43-177-65.3-60.4000111M35 G36 M41 I42 F43 M77 F81M35-I39 WeakPolarHBondContact O-CG1 3.38Å; M35-I39 PolarHBondContact O-N 3.4Å; M35-I39 HydrophobicContact SD-CG1 4.42Å; G36-I39 PolarHBondContact O-N 3.48Å; I39-M41 VanDerWaalsContact C-N 3.3Å; I39-M41 PolarHBondContact O-N 3.06Å; I39-I42 PolarHBondContact O-N 3.16Å; I39-F43 HydrophobicContact CG2-CD2 3.82Å; I39-F43 HydrophobicContact CG2-CE2 3.92Å; I39-F43 WeakPolarHBondContact O-CD2 3.5Å; I39-F43 PolarHBondContact O-N 3.36Å; I39-F43 VanDerWaalsContact O-N 3.12Å; I39-M77 HydrophobicContact CG2-CB 3.5Å; I39-M77 VanDerWaalsContact CG2-CB 3.5Å; I39-F81 HydrophobicContact CD1-CD1 4.2Å; I39-F81 HydrophobicContact CD1-CE1 4.16Å; I39-F81 HydrophobicContact CG1-CB 4.23Å; I39-F81 HydrophobicContact CG1-CD1 3.84Å; I39-F81 HydrophobicContact CG1-CD2 4.44Å; I39-F81 HydrophobicContact CG1-CE1 4.3Å; I39-F81 HydrophobicContact CG1-CG 3.91Å
40L98.8Very high98.1Very high9 Ų925.4 Ų25.45%0.04713%0.129CC..Hα-helixtrans-52.1-50174.5-179.661.7000111G36 I38 G44 W71 A74 V75 A78 C90G36-L40 WeakPolarHBondContact O-CB 3.44Å; G36-L40 PolarHBondContact O-N 2.8Å; I38-L40 VanDerWaalsContact C-N 3.34Å; I38-L40 PolarHBondContact O-N 2.79Å; L40-G44 PolarHBondContact O-N 2.84Å; L40-W71 HydrophobicContact CD1-CE3 4.45Å; L40-W71 HydrophobicContact CD1-CZ3 4.27Å; L40-W71 HydrophobicContact CG-CZ3 4.44Å; L40-A74 HydrophobicContact CD1-CB 3.9Å; L40-V75 HydrophobicContact CD1-CG2 3.75Å; L40-A78 HydrophobicContact CB-CB 3.8Å; L40-A78 HydrophobicContact CD1-CB 4.36Å; L40-C90 HydrophobicContact CD2-CB 4.39Å
41M98.8Very high98.2Very high0 Ų025.7 Ų25.70%013%0.13CC..Hα-helixtrans-75.1-32-177.7-68.3-46.9-52.100113.5S37 I38 I39 S45 W71 A120 S124 R225 P229S37-M41 PolarHBondContact O-N 3.35Å; I38-M41 PolarHBondContact O-N 3.04Å; I39-M41 VanDerWaalsContact C-N 3.3Å; I39-M41 PolarHBondContact O-N 3.06Å; M41-S45 VanDerWaalsContact CE-OG 3.27Å; M41-S45 WeakPolarHBondContact CE-OG 3.4Å; M41-S45 VanDerWaalsContact O-CB 3.25Å; M41-S45 WeakPolarHBondContact O-CB 3.33Å; M41-S45 PolarHBondContact O-N 3.29Å; M41-W71 HydrophobicContact CE-CH2 4.03Å; M41-W71 HydrophobicContact SD-CH2 4.2Å; M41-A120 VanDerWaalsContact CG-CA 3.46Å; M41-A120 HydrophobicContact CG-CB 3.61Å; M41-A120 WeakPolarHBondContact CG-O 3.44Å; M41-A120 HydrophobicContact SD-CB 4.44Å; M41-S124 VanDerWaalsContact CE-OG 3.31Å; M41-S124 WeakPolarHBondContact CE-OG 3.34Å; M41-R225 HydrophobicContact CE-CG 4.4Å; M41-R225 HydrophobicContact SD-CB 4.04Å; M41-R225 HydrophobicContact SD-CG 3.66Å; M41-P229 HydrophobicContact CE-CB 4.46Å; M41-P229 HydrophobicContact CE-CG 3.53Å; M41-P229 HydrophobicContact CG-CG 4.34Å; M41-P229 HydrophobicContact SD-CG 4.12Å
42I98.9Very high98.3Very high50 Ų5023 Ų2326%0.25612%0.116SC..Hα-helixtrans-59.7-49.6174.9-73.2173.3000110.6I38 I39 G46 V126 V127I38-I42 HydrophobicContact CG2-CD1 3.62Å; I38-I42 HydrophobicContact CG2-CG1 4.3Å; I38-I42 WeakPolarHBondContact O-CG1 3.33Å; I38-I42 PolarHBondContact O-N 3.15Å; I39-I42 PolarHBondContact O-N 3.16Å; I42-G46 VanDerWaalsContact O-CA 3.28Å; I42-G46 WeakPolarHBondContact O-CA 3.37Å; I42-G46 PolarHBondContact O-N 3.27Å; I42-V126 HydrophobicContact CD1-CB 4.37Å; I42-V126 HydrophobicContact CD1-CG1 4.13Å; I42-V126 HydrophobicContact CG1-CB 4.27Å; I42-V126 HydrophobicContact CG1-CG1 4.22Å; I42-V127 WeakPolarHBondContact O-CG2 3.39Å
43F98.8Very high98.4Very high89 Ų8923.5 Ų23.539%0.3912%0.118SC..Hα-helixtrans-74.6-43.8179.9-76.9-79.1000112.2I39 G46 V47 A74 M77I39-F43 HydrophobicContact CG2-CD2 3.82Å; I39-F43 HydrophobicContact CG2-CE2 3.92Å; I39-F43 WeakPolarHBondContact O-CD2 3.5Å; I39-F43 PolarHBondContact O-N 3.36Å; I39-F43 VanDerWaalsContact O-N 3.12Å; F43-G46 PolarHBondContact O-N 2.88Å; F43-V47 PolarHBondContact O-N 2.98Å; F43-A74 HydrophobicContact CB-CB 3.53Å; F43-M77 HydrophobicContact CD2-CB 3.97Å; F43-M77 HydrophobicContact CD2-CG 4.17Å; F43-M77 HydrophobicContact CE2-CB 3.86Å; F43-M77 HydrophobicContact CE2-CE 4.49Å; F43-M77 HydrophobicContact CE2-CG 3.82Å; F43-M77 HydrophobicContact CZ-CG 4.08Å
44G98.7Very high98.3Very high0 Ų023.8 Ų23.80%012%0.121CC..Hα-helixtrans-66.3-48.3-177.800000113.6L40 G46 V47 L48 W71L40-G44 PolarHBondContact O-N 2.84Å; G44-G46 VanDerWaalsContact C-N 3.35Å; G44-V47 VanDerWaalsContact O-CG1 3.27Å; G44-V47 WeakPolarHBondContact O-CG1 3.27Å; G44-L48 PolarHBondContact O-N 2.98Å; G44-W71 VanDerWaalsContact C-CZ2 3.49Å
45S98.8Very high98.2Very high0 Ų025 Ų250%013%0.13CC..Hα-helixtrans-73.2-29.4172.2-71.50000111.9M41 L48 A49 I155M41-S45 VanDerWaalsContact CE-OG 3.27Å; M41-S45 WeakPolarHBondContact CE-OG 3.4Å; M41-S45 VanDerWaalsContact O-CB 3.25Å; M41-S45 WeakPolarHBondContact O-CB 3.33Å; M41-S45 PolarHBondContact O-N 3.29Å; S45-L48 PolarHBondContact O-N 3.07Å; S45-A49 WeakPolarHBondContact O-CB 3.42Å; S45-A49 PolarHBondContact O-N 3.34Å; S45-I155 WeakPolarHBondContact CB-O 3.23Å; S45-I155 PolarHBondContact OG-O 2.9Å
46G98.7Very high98Very high12 Ų1225.1 Ų25.112%0.12413%0.129CC..Hα-helixtrans-61.3-44.9176.600000112.9I42 F43 G44 A49 Q50I42-G46 VanDerWaalsContact O-CA 3.28Å; I42-G46 WeakPolarHBondContact O-CA 3.37Å; I42-G46 PolarHBondContact O-N 3.27Å; F43-G46 PolarHBondContact O-N 2.88Å; G44-G46 VanDerWaalsContact C-N 3.35Å; G46-A49 PolarHBondContact O-N 3.47Å; G46-Q50 WeakPolarHBondContact O-CG 3.12Å; G46-Q50 PolarHBondContact O-N 3.25Å
47V98.6Very high97.8Very high23 Ų2325.8 Ų25.814%0.13914%0.136CC..Hα-helixtrans-67-37.3176.470.60000112F43 G44 Q50 V51 S66F43-V47 PolarHBondContact O-N 2.98Å; G44-V47 VanDerWaalsContact O-CG1 3.27Å; G44-V47 WeakPolarHBondContact O-CG1 3.27Å; V47-Q50 PolarHBondContact O-N 3.06Å; V47-V51 WeakPolarHBondContact O-CG2 3.44Å; V47-V51 PolarHBondContact O-N 3.14Å; V47-S66 WeakPolarHBondContact CG2-O 3.38Å
48L98.5Very high97.5Very high20 Ų2032.6 Ų32.611%0.10517%0.165CC..Hα-helixtrans-66.3-38.8174.6-74.8168000111.6G44 S45 V51 I52 V67 W71 I155G44-L48 PolarHBondContact O-N 2.98Å; S45-L48 PolarHBondContact O-N 3.07Å; L48-V51 PolarHBondContact O-N 2.91Å; L48-I52 HydrophobicContact CB-CD1 4.34Å; L48-I52 HydrophobicContact CD2-CD1 4.36Å; L48-I52 VanDerWaalsContact O-CB 3.24Å; L48-I52 WeakPolarHBondContact O-CB 3.26Å; L48-I52 WeakPolarHBondContact O-CG1 3.35Å; L48-I52 PolarHBondContact O-N 2.94Å; L48-V67 HydrophobicContact CD2-CG1 3.88Å; L48-V67 HydrophobicContact CD2-CG2 4.17Å; L48-W71 HydrophobicContact CD1-CZ2 3.85Å; L48-I155 HydrophobicContact CB-CG2 4.42Å; L48-I155 WeakPolarHBondContact CD1-O 3.47Å
49A98.6Very high97.2Very high0 Ų036.1 Ų36.10%018%0.181CC..Hα-helixtrans-62.9-42.9175.600000111.5S45 G46 L53 V127 Y131 I155S45-A49 WeakPolarHBondContact O-CB 3.42Å; S45-A49 PolarHBondContact O-N 3.34Å; G46-A49 PolarHBondContact O-N 3.47Å; A49-L53 HydrophobicContact CB-CD1 4.21Å; A49-L53 WeakPolarHBondContact O-CB 3.42Å; A49-L53 WeakPolarHBondContact O-CG 3.25Å; A49-L53 PolarHBondContact O-N 3.39Å; A49-V127 HydrophobicContact CB-CG1 4.24Å; A49-Y131 HydrophobicContact CB-CD1 3.78Å; A49-Y131 HydrophobicContact CB-CD2 3.78Å; A49-Y131 HydrophobicContact CB-CE1 3.81Å; A49-Y131 HydrophobicContact CB-CE2 3.82Å; A49-Y131 HydrophobicContact CB-CG 3.75Å; A49-I155 HydrophobicContact CB-CG2 3.92Å
50Q98.2Very high97Very high79 Ų7938.2 Ų38.237%0.36920%0.202SC..Hα-helixtrans-58-52.8173.3-74.7-69.9-53.400111.3G46 V47 G54 H61 Y131G46-Q50 WeakPolarHBondContact O-CG 3.12Å; G46-Q50 PolarHBondContact O-N 3.25Å; V47-Q50 PolarHBondContact O-N 3.06Å; Q50-G54 WeakPolarHBondContact O-CA 3.49Å; Q50-G54 PolarHBondContact O-N 3.04Å; Q50-G54 VanDerWaalsContact O-N 3.09Å; Q50-H61 HydrophobicContact CB-CB 4.48Å; Q50-H61 WeakPolarHBondContact O-CB 3.38Å; Q50-Y131 PolarHBondContact NE2-OH 3.08Å
51V98.1Very high96.8Very high11 Ų1143.1 Ų43.17%0.06722%0.224CC..Hα-helixtrans-68.7-44.6-176.6175.10000111.7V47 L48 H59 V67V47-V51 WeakPolarHBondContact O-CG2 3.44Å; V47-V51 PolarHBondContact O-N 3.14Å; L48-V51 PolarHBondContact O-N 2.91Å; V51-H59 VanDerWaalsContact O-CA 3.22Å; V51-H59 WeakPolarHBondContact O-CA 3.44Å; V51-H59 PolarHBondContact O-ND1 3.16Å; V51-V67 HydrophobicContact CB-CG2 4.14Å; V51-V67 HydrophobicContact CG1-CG2 4.14Å; V51-V67 HydrophobicContact CG2-CG2 3.89Å
52I97.7Very high96.7Very high23 Ų2344 Ų4412%0.11823%0.232CC..Hα-helixtrans-74.7-41.3-175.3-67.5169.8000111.8L48 G57 Y138 I155L48-I52 HydrophobicContact CB-CD1 4.34Å; L48-I52 HydrophobicContact CD2-CD1 4.36Å; L48-I52 VanDerWaalsContact O-CB 3.24Å; L48-I52 WeakPolarHBondContact O-CB 3.26Å; L48-I52 WeakPolarHBondContact O-CG1 3.35Å; L48-I52 PolarHBondContact O-N 2.94Å; I52-G57 WeakPolarHBondContact O-CA 3.48Å; I52-Y138 HydrophobicContact CG2-CE2 4.33Å; I52-I155 HydrophobicContact CB-CG1 4.18Å; I52-I155 HydrophobicContact CD1-CG1 3.74Å; I52-I155 HydrophobicContact CG2-CD1 4.45Å; I52-I155 HydrophobicContact CG2-CG1 4.26Å
53L98.2Very high96.5Very high13 Ų1345.7 Ų45.77%0.06825%0.245CC..Hα-helixtrans-91.3-10.1-173.3-54.6171.3000113.1A49 D55 H56 Y131 K134 I135 Y138 I155A49-L53 HydrophobicContact CB-CD1 4.21Å; A49-L53 WeakPolarHBondContact O-CB 3.42Å; A49-L53 WeakPolarHBondContact O-CG 3.25Å; A49-L53 PolarHBondContact O-N 3.39Å; L53-D55 PolarHBondContact O-N 3.29Å; L53-H56 PolarHBondContact O-N 3.27Å; L53-Y131 HydrophobicContact CD1-CD1 3.84Å; L53-Y131 HydrophobicContact CD1-CG 4.26Å; L53-K134 HydrophobicContact CB-CB 4.36Å; L53-K134 HydrophobicContact CD1-CB 3.87Å; L53-I135 HydrophobicContact CD1-CG1 3.76Å; L53-I135 HydrophobicContact CD2-CG1 4.33Å; L53-Y138 HydrophobicContact CD2-CD2 3.96Å; L53-Y138 HydrophobicContact CD2-CG 4Å; L53-I155 HydrophobicContact CD1-CD1 3.84Å; L53-I155 HydrophobicContact CD2-CD1 3.96Å; L53-I155 HydrophobicContact CG-CD1 3.87Å
54G96.2Very high96.4Very high6 Ų646.2 Ų46.26%0.06225%0.248CC..G310 helixtrans-56.5133.4-177.700000113.2Q50 H56 G57 K58 H59 H61Q50-G54 WeakPolarHBondContact O-CA 3.49Å; Q50-G54 PolarHBondContact O-N 3.04Å; Q50-G54 VanDerWaalsContact O-N 3.09Å; G54-H56 VanDerWaalsContact C-N 3.31Å; G54-H56 PolarHBondContact O-N 3.42Å; G54-G57 PolarHBondContact O-N 3.11Å; G54-G57 VanDerWaalsContact O-N 3.17Å; G54-K58 PolarHBondContact O-N 3.13Å; G54-H59 PolarHBondContact O-N 3.26Å; G54-H61 WeakPolarHBondContact CA-CD2 3.48Å
55D94.2Very high96.3Very high67 Ų6751.1 Ų51.136%0.35827%0.273SS..G310 helixtrans43.554.2-173.7-171.623.6000112.8L53 G57 K58 A60L53-D55 PolarHBondContact O-N 3.29Å; D55-G57 PolarHBondContact O-N 2.87Å; D55-K58 HydrophobicContact CB-CB 4.28Å; D55-K58 WeakPolarHBondContact O-CB 3.33Å; D55-K58 WeakPolarHBondContact O-CG 3.47Å; D55-K58 PolarHBondContact O-N 2.99Å; D55-K58 IonicContact OD1-NZ 3.7Å; D55-K58 VanDerWaalsContact OD2-CD 3.3Å; D55-K58 WeakPolarHBondContact OD2-CD 3.41Å; D55-K58 IonicContact OD2-NZ 3.08Å; D55-K58 PolarHBondContact OD2-NZ 2.83Å; D55-A60 HydrophobicContact CB-CB 3.46Å; D55-A60 VanDerWaalsContact CB-CB 3.46Å
56H93.4Very high96.2Very high80 Ų8053.1 Ų53.137%0.3729%0.287SS..G310 helixtrans60.826.7176.1-47.9-87.1000114.8L53 G54 E137 L141 N142L53-H56 PolarHBondContact O-N 3.27Å; G54-H56 VanDerWaalsContact C-N 3.31Å; G54-H56 PolarHBondContact O-N 3.42Å; H56-E137 IonicContact CE1-OE1 3.25Å; H56-E137 PolarHBondContact CE1-OE1 3.01Å; H56-E137 IonicContact ND1-OE1 3.66Å; H56-E137 PolarHBondContact ND1-OE1 3.32Å; H56-L141 HydrophobicContact CB-CD1 3.9Å; H56-N142 PolarHBondContact O-ND2 3.47Å; H56-N142 VanDerWaalsContact O-ND2 3.16Å
57G93.8Very high96.2Very high14 Ų1453.2 Ų53.214%0.14429%0.285CS..G310 helixtrans107.53.1179.900000115.4I52 G54 D55 H59 Y138I52-G57 WeakPolarHBondContact O-CA 3.48Å; G54-G57 PolarHBondContact O-N 3.11Å; G54-G57 VanDerWaalsContact O-N 3.17Å; D55-G57 PolarHBondContact O-N 2.87Å; G57-H59 VanDerWaalsContact C-N 3.31Å; G57-Y138 VanDerWaalsContact CA-CE2 3.46Å
58K94Very high96.2Very high145 Ų14552.2 Ų52.263%0.6328%0.279SS*.THydrogen-bonded Turntrans-89.48.8-179.3-61175.3-160.71530114.1G54 D55 A60G54-K58 PolarHBondContact O-N 3.13Å; D55-K58 HydrophobicContact CB-CB 4.28Å; D55-K58 WeakPolarHBondContact O-CB 3.33Å; D55-K58 WeakPolarHBondContact O-CG 3.47Å; D55-K58 PolarHBondContact O-N 2.99Å; D55-K58 IonicContact OD1-NZ 3.7Å; D55-K58 VanDerWaalsContact OD2-CD 3.3Å; D55-K58 WeakPolarHBondContact OD2-CD 3.41Å; D55-K58 IonicContact OD2-NZ 3.08Å; D55-K58 PolarHBondContact OD2-NZ 2.83Å; K58-A60 VanDerWaalsContact C-N 3.3Å; K58-A60 PolarHBondContact O-N 3.28Å
59H92.8Very high96.2Very high97 Ų9754.5 Ų54.545%0.44929%0.291SS..  trans60.231.2177-55.4-81000115.5V51 G54 G57 H61V51-H59 VanDerWaalsContact O-CA 3.22Å; V51-H59 WeakPolarHBondContact O-CA 3.44Å; V51-H59 PolarHBondContact O-ND1 3.16Å; G54-H59 PolarHBondContact O-N 3.26Å; G57-H59 VanDerWaalsContact C-N 3.31Å; H59-H61 VanDerWaalsContact C-N 3.26Å; H59-H61 PolarHBondContact O-N 2.98Å
60A93.6Very high96.2Very high65 Ų6555.2 Ų55.254%0.53730%0.298SS..THydrogen-bonded Turntrans-69.3-18.9-177.500000114.6D55 K58D55-A60 HydrophobicContact CB-CB 3.46Å; D55-A60 VanDerWaalsContact CB-CB 3.46Å; K58-A60 VanDerWaalsContact C-N 3.3Å; K58-A60 PolarHBondContact O-N 3.28Å
61H94.7Very high96.2Very high112 Ų11252.3 Ų52.352%0.51928%0.284SS..THydrogen-bonded Turntrans-100.631.3-175.1-67.5-102.7000113.3Q50 G54 H59Q50-H61 HydrophobicContact CB-CB 4.48Å; Q50-H61 WeakPolarHBondContact O-CB 3.38Å; G54-H61 WeakPolarHBondContact CA-CD2 3.48Å; H59-H61 VanDerWaalsContact C-N 3.26Å; H59-H61 PolarHBondContact O-N 2.98Å
62G95.9Very high96.2Very high17 Ų1751.9 Ų51.918%0.17528%0.282CS..  trans143175.6169.800000113.1S66G62-S66 WeakPolarHBondContact CA-OG 3.46Å
63T95.6Very high96.3Very high86 Ų8656.4 Ų56.453%0.52830%0.301SS..  trans-124.8-172.8179.167.20000109.8I65 S66 V67T63-I65 PolarHBondContact O-N 3.48Å; T63-I65 PolarHBondContact OG1-N 2.87Å; T63-S66 PolarHBondContact N-OG 3.34Å; T63-S66 VanDerWaalsContact N-OG 3.12Å; T63-S66 WeakPolarHBondContact O-CA 3.29Å; T63-S66 VanDerWaalsContact O-CB 3.25Å; T63-S66 WeakPolarHBondContact O-CB 3.06Å; T63-S66 PolarHBondContact O-N 3.36Å; T63-V67 PolarHBondContact O-N 3.31Å; T63-V67 VanDerWaalsContact O-N 3.11Å
64F95.3Very high96.3Very high100 Ų10055.8 Ų55.844%0.43930%0.297SS..Hα-helixtrans-60.8-26.8175.1-170.2-101.3000113.4S66 V67 S68 V210 A214F64-S66 VanDerWaalsContact C-N 3.33Å; F64-V67 PolarHBondContact O-N 2.94Å; F64-S68 PolarHBondContact O-N 3.48Å; F64-S68 PolarHBondContact O-OG 3.3Å; F64-V210 VanDerWaalsContact CZ-O 3.25Å; F64-V210 WeakPolarHBondContact CZ-O 3.31Å; F64-A214 HydrophobicContact CE2-CB 3.96Å; F64-A214 HydrophobicContact CZ-CB 3.67Å
65I97.2Very high96.4Very high103 Ų10356.7 Ų56.753%0.52830%0.302SS..Hα-helixtrans-63.8-42171.3-67.6175.1000110.2T63 V67 S68 L69T63-I65 PolarHBondContact O-N 3.48Å; T63-I65 PolarHBondContact OG1-N 2.87Å; I65-V67 PolarHBondContact O-N 2.91Å; I65-S68 PolarHBondContact O-N 3.38Å; I65-L69 HydrophobicContact CG2-CD1 3.95Å; I65-L69 HydrophobicContact CG2-CG 4.42Å; I65-L69 WeakPolarHBondContact O-CB 3.43Å; I65-L69 WeakPolarHBondContact O-CG 3.33Å; I65-L69 PolarHBondContact O-N 3.26Å
66S97.5Very high96.6Very high42 Ų4256.8 Ų56.829%0.29430%0.298SS..Hα-helixtrans-61.1-44.5175.2-48.90000111.1V47 G62 T63 F64 S68 L69 G70V47-S66 WeakPolarHBondContact CG2-O 3.38Å; G62-S66 WeakPolarHBondContact CA-OG 3.46Å; T63-S66 PolarHBondContact N-OG 3.34Å; T63-S66 VanDerWaalsContact N-OG 3.12Å; T63-S66 WeakPolarHBondContact O-CA 3.29Å; T63-S66 VanDerWaalsContact O-CB 3.25Å; T63-S66 WeakPolarHBondContact O-CB 3.06Å; T63-S66 PolarHBondContact O-N 3.36Å; F64-S66 VanDerWaalsContact C-N 3.33Å; S66-S68 PolarHBondContact O-N 3.28Å; S66-L69 PolarHBondContact O-N 3.34Å; S66-G70 PolarHBondContact O-N 2.71Å
67V98.2Very high96.9Very high14 Ų1455.5 Ų55.59%0.08529%0.293CS..Hα-helixtrans-58.5-49176176.40000111L48 V51 T63 F64 I65 G70 W71L48-V67 HydrophobicContact CD2-CG1 3.88Å; L48-V67 HydrophobicContact CD2-CG2 4.17Å; V51-V67 HydrophobicContact CB-CG2 4.14Å; V51-V67 HydrophobicContact CG1-CG2 4.14Å; V51-V67 HydrophobicContact CG2-CG2 3.89Å; T63-V67 PolarHBondContact O-N 3.31Å; T63-V67 VanDerWaalsContact O-N 3.11Å; F64-V67 PolarHBondContact O-N 2.94Å; I65-V67 PolarHBondContact O-N 2.91Å; V67-G70 PolarHBondContact O-N 2.93Å; V67-W71 VanDerWaalsContact O-CD1 3.26Å; V67-W71 PolarHBondContact O-N 3.13Å
68S98.4Very high97.1Very high2 Ų255 Ų551%0.01429%0.286CS..Hα-helixtrans-61.9-48.2-179-550000111.4F64 I65 S66 G70 W71 G72 Y207 G211F64-S68 PolarHBondContact O-N 3.48Å; F64-S68 PolarHBondContact O-OG 3.3Å; I65-S68 PolarHBondContact O-N 3.38Å; S66-S68 PolarHBondContact O-N 3.28Å; S68-G70 VanDerWaalsContact C-N 3.34Å; S68-G70 PolarHBondContact O-N 2.96Å; S68-W71 PolarHBondContact O-N 2.87Å; S68-G72 PolarHBondContact O-N 2.94Å; S68-Y207 VanDerWaalsContact C-CD2 3.49Å; S68-G211 WeakPolarHBondContact OG-CA 3.36Å; S68-G211 PolarHBondContact OG-N 3.06Å
69L98.4Very high97.2Very high69 Ų6949 Ų4936%0.36126%0.262SS..Hα-helixtrans-61.9-42.6176.8-77172.6000111.5I65 S66 W71 G72 F73 Y207I65-L69 HydrophobicContact CG2-CD1 3.95Å; I65-L69 HydrophobicContact CG2-CG 4.42Å; I65-L69 WeakPolarHBondContact O-CB 3.43Å; I65-L69 WeakPolarHBondContact O-CG 3.33Å; I65-L69 PolarHBondContact O-N 3.26Å; S66-L69 PolarHBondContact O-N 3.34Å; L69-W71 PolarHBondContact O-N 3.14Å; L69-G72 PolarHBondContact O-N 3.37Å; L69-F73 HydrophobicContact CD2-CE2 4.49Å; L69-F73 WeakPolarHBondContact O-CD2 3.35Å; L69-F73 PolarHBondContact O-N 3.4Å; L69-Y207 HydrophobicContact CD2-CD1 4.49Å; L69-Y207 HydrophobicContact CD2-CD2 3.78Å; L69-Y207 HydrophobicContact CD2-CE1 4.36Å; L69-Y207 HydrophobicContact CD2-CE2 3.62Å; L69-Y207 HydrophobicContact CD2-CG 4.21Å; L69-Y207 HydrophobicContact CG-CD2 4.01Å; L69-Y207 HydrophobicContact CG-CE2 3.67Å
70G98.6Very high97.4Very high14 Ų1447.9 Ų47.914%0.14426%0.258CS..Hα-helixtrans-62.8-39.8179.300000112.7S66 V67 S68 F73 A74S66-G70 PolarHBondContact O-N 2.71Å; V67-G70 PolarHBondContact O-N 2.93Å; S68-G70 VanDerWaalsContact C-N 3.34Å; S68-G70 PolarHBondContact O-N 2.96Å; G70-F73 PolarHBondContact O-N 2.87Å; G70-A74 VanDerWaalsContact O-CB 3.26Å; G70-A74 WeakPolarHBondContact O-CB 3.47Å; G70-A74 PolarHBondContact O-N 3.34Å
71W98.7Very high97.4Very high18 Ų1849.8 Ų49.87%0.06825%0.254CS..Hα-helixtrans-68.1-38.2172.7-82106.1000113L40 M41 G44 L48 V67 S68 L69 A74 V75 V206 V210 R225L40-W71 HydrophobicContact CD1-CE3 4.45Å; L40-W71 HydrophobicContact CD1-CZ3 4.27Å; L40-W71 HydrophobicContact CG-CZ3 4.44Å; M41-W71 HydrophobicContact CE-CH2 4.03Å; M41-W71 HydrophobicContact SD-CH2 4.2Å; G44-W71 VanDerWaalsContact C-CZ2 3.49Å; L48-W71 HydrophobicContact CD1-CZ2 3.85Å; V67-W71 VanDerWaalsContact O-CD1 3.26Å; V67-W71 PolarHBondContact O-N 3.13Å; S68-W71 PolarHBondContact O-N 2.87Å; L69-W71 PolarHBondContact O-N 3.14Å; W71-A74 HydrophobicContact CE3-CB 4.43Å; W71-A74 WeakPolarHBondContact O-CB 3.43Å; W71-A74 PolarHBondContact O-N 2.97Å; W71-V75 PolarHBondContact O-N 3.41Å; W71-V75 VanDerWaalsContact O-N 3.07Å; W71-V206 HydrophobicContact CB-CG1 4.2Å; W71-V210 HydrophobicContact CB-CG2 3.95Å; W71-V210 HydrophobicContact CG-CG2 4.35Å; W71-R225 HydrophobicContact CH2-CG 3.73Å; W71-R225 VanDerWaalsContact CH2-NE 3.28Å; W71-R225 HydrophobicContact CZ3-CG 3.8Å
72G98.7Very high97.4Very high2 Ų244.4 Ų44.42%0.02123%0.23CC..Hα-helixtrans-57.7-51.8171.300000111.8S68 L69 A74 V75 Y76 A203S68-G72 PolarHBondContact O-N 2.94Å; L69-G72 PolarHBondContact O-N 3.37Å; G72-A74 VanDerWaalsContact C-N 3.3Å; G72-A74 PolarHBondContact O-N 3.26Å; G72-V75 PolarHBondContact O-N 3.02Å; G72-Y76 PolarHBondContact O-N 3.18Å; G72-A203 WeakPolarHBondContact CA-O 3.48Å; G72-A203 WeakPolarHBondContact O-CA 3.36Å; G72-A203 WeakPolarHBondContact O-CB 3.29Å
73F98.7Very high96.7Very high118 Ų11845.5 Ų45.552%0.51824%0.24SC..Hα-helixtrans-67.6-28.1176.8-73.9-60.5000113.6L69 G70 V75 Y76 M77L69-F73 HydrophobicContact CD2-CE2 4.49Å; L69-F73 WeakPolarHBondContact O-CD2 3.35Å; L69-F73 PolarHBondContact O-N 3.4Å; G70-F73 PolarHBondContact O-N 2.87Å; F73-V75 VanDerWaalsContact C-N 3.33Å; F73-Y76 WeakPolarHBondContact O-CB 3.47Å; F73-Y76 PolarHBondContact O-N 3.06Å; F73-M77 WeakPolarHBondContact O-CG 3.2Å; F73-M77 PolarHBondContact O-N 3.41Å
74A98.8Very high95.9Very high0 Ų049 Ų490%025%0.251CS..Hα-helixtrans-62.1-43.3171.700000111.1L40 F43 G70 W71 G72 A78L40-A74 HydrophobicContact CD1-CB 3.9Å; F43-A74 HydrophobicContact CB-CB 3.53Å; G70-A74 VanDerWaalsContact O-CB 3.26Å; G70-A74 WeakPolarHBondContact O-CB 3.47Å; G70-A74 PolarHBondContact O-N 3.34Å; W71-A74 HydrophobicContact CE3-CB 4.43Å; W71-A74 WeakPolarHBondContact O-CB 3.43Å; W71-A74 PolarHBondContact O-N 2.97Å; G72-A74 VanDerWaalsContact C-N 3.3Å; G72-A74 PolarHBondContact O-N 3.26Å; A74-A78 WeakPolarHBondContact O-CB 3.28Å; A74-A78 PolarHBondContact O-N 3.08Å
75V98.6Very high95Very high26 Ų2647.1 Ų47.116%0.15825%0.249CC..Hα-helixtrans-66.7-43.1173.5170.90000111.4L40 W71 G72 F73 M77 A78 V79 L202 V206L40-V75 HydrophobicContact CD1-CG2 3.75Å; W71-V75 PolarHBondContact O-N 3.41Å; W71-V75 VanDerWaalsContact O-N 3.07Å; G72-V75 PolarHBondContact O-N 3.02Å; F73-V75 VanDerWaalsContact C-N 3.33Å; V75-M77 VanDerWaalsContact C-N 3.34Å; V75-M77 PolarHBondContact O-N 3.41Å; V75-A78 PolarHBondContact O-N 2.78Å; V75-V79 HydrophobicContact CG1-CG2 4.1Å; V75-V79 WeakPolarHBondContact O-CG2 3.09Å; V75-V79 PolarHBondContact O-N 3.4Å; V75-L202 HydrophobicContact CG1-CB 4.07Å; V75-V206 HydrophobicContact CB-CB 4.42Å; V75-V206 HydrophobicContact CB-CG2 4.16Å; V75-V206 HydrophobicContact CG1-CG2 4.16Å; V75-V206 HydrophobicContact CG2-CB 4.05Å; V75-V206 HydrophobicContact CG2-CG1 3.91Å; V75-V206 HydrophobicContact CG2-CG2 3.67Å
76Y98.4Very high93.8Very high69 Ų6943.1 Ų43.127%0.27123%0.234SC..Hα-helixtrans-49.8-56.3174.2-178.5-104.3000111.2G72 F73 A78 V79 M80 P199 L200 A203G72-Y76 PolarHBondContact O-N 3.18Å; F73-Y76 WeakPolarHBondContact O-CB 3.47Å; F73-Y76 PolarHBondContact O-N 3.06Å; Y76-A78 PolarHBondContact O-N 3.5Å; Y76-V79 PolarHBondContact O-N 3.46Å; Y76-M80 HydrophobicContact CD1-CG 4.38Å; Y76-M80 HydrophobicContact CE1-CG 4.08Å; Y76-M80 HydrophobicContact CE2-CG 4.46Å; Y76-M80 VanDerWaalsContact O-CG 3.23Å; Y76-M80 WeakPolarHBondContact O-CG 3.5Å; Y76-M80 PolarHBondContact O-N 3.03Å; Y76-P199 HydrophobicContact CD2-CB 3.77Å; Y76-P199 HydrophobicContact CE2-CB 3.88Å; Y76-L200 HydrophobicContact CD2-CB 4.35Å; Y76-L200 HydrophobicContact CE2-CB 4.09Å; Y76-L200 HydrophobicContact CE2-CD1 4.5Å; Y76-A203 HydrophobicContact CD2-CB 4.41Å
77M98.3Very high93.3Very high53 Ų5343.3 Ų43.326%0.26124%0.235SC..Hα-helixtrans-67.3-37.4-177.7-65.6-56.2-64.400112I39 F43 F73 V75 M80 F81I39-M77 HydrophobicContact CG2-CB 3.5Å; I39-M77 VanDerWaalsContact CG2-CB 3.5Å; F43-M77 HydrophobicContact CD2-CB 3.97Å; F43-M77 HydrophobicContact CD2-CG 4.17Å; F43-M77 HydrophobicContact CE2-CB 3.86Å; F43-M77 HydrophobicContact CE2-CE 4.49Å; F43-M77 HydrophobicContact CE2-CG 3.82Å; F43-M77 HydrophobicContact CZ-CG 4.08Å; F73-M77 WeakPolarHBondContact O-CG 3.2Å; F73-M77 PolarHBondContact O-N 3.41Å; V75-M77 VanDerWaalsContact C-N 3.34Å; V75-M77 PolarHBondContact O-N 3.41Å; M77-M80 PolarHBondContact O-N 3.23Å; M77-F81 HydrophobicContact CE-CD2 4.42Å; M77-F81 HydrophobicContact CE-CE2 3.73Å; M77-F81 VanDerWaalsContact O-CD2 3.24Å; M77-F81 WeakPolarHBondContact O-CD2 3.28Å; M77-F81 PolarHBondContact O-N 3.35Å; M77-F81 VanDerWaalsContact O-N 3.1Å
78A98.2Very high93.1Very high2 Ų243 Ų432%0.01724%0.235CC..Hα-helixtrans-60.6-47.1176.300000112.1G36 L40 A74 V75 Y76 F81 S82G36-A78 VanDerWaalsContact O-CB 3.24Å; G36-A78 WeakPolarHBondContact O-CB 3.38Å; L40-A78 HydrophobicContact CB-CB 3.8Å; L40-A78 HydrophobicContact CD1-CB 4.36Å; A74-A78 WeakPolarHBondContact O-CB 3.28Å; A74-A78 PolarHBondContact O-N 3.08Å; V75-A78 PolarHBondContact O-N 2.78Å; Y76-A78 PolarHBondContact O-N 3.5Å; A78-F81 PolarHBondContact O-N 3Å; A78-S82 VanDerWaalsContact O-CB 3.32Å; A78-S82 WeakPolarHBondContact O-CB 3.43Å; A78-S82 PolarHBondContact O-N 2.74Å; A78-S82 PolarHBondContact O-OG 2.75Å
79V97.5Very high93.1Very high20 Ų2045 Ų4512%0.12124%0.244CC..Hα-helixtrans-67.6-39.1179-178.40000110.6V75 Y76 F81 S82 G83 P199 L202V75-V79 HydrophobicContact CG1-CG2 4.1Å; V75-V79 WeakPolarHBondContact O-CG2 3.09Å; V75-V79 PolarHBondContact O-N 3.4Å; Y76-V79 PolarHBondContact O-N 3.46Å; V79-F81 VanDerWaalsContact C-N 3.26Å; V79-F81 PolarHBondContact O-N 2.79Å; V79-S82 WeakPolarHBondContact CA-OG 3.33Å; V79-S82 PolarHBondContact O-N 3.49Å; V79-S82 PolarHBondContact O-OG 2.85Å; V79-G83 PolarHBondContact O-N 3.4Å; V79-P199 HydrophobicContact CB-CB 4.1Å; V79-P199 HydrophobicContact CB-CG 4.31Å; V79-P199 HydrophobicContact CG1-CB 4.09Å; V79-P199 HydrophobicContact CG1-CG 3.8Å; V79-L202 HydrophobicContact CG1-CD1 4.29Å; V79-L202 HydrophobicContact CG2-CD1 3.98Å
80M96Very high93.1Very high74 Ų7441.9 Ų41.937%0.36523%0.228SC..Hα-helixtrans-57.7-37.9174.9-72.3-63.5-69.700112.7Y76 M77 P199Y76-M80 HydrophobicContact CD1-CG 4.38Å; Y76-M80 HydrophobicContact CE1-CG 4.08Å; Y76-M80 HydrophobicContact CE2-CG 4.46Å; Y76-M80 VanDerWaalsContact O-CG 3.23Å; Y76-M80 WeakPolarHBondContact O-CG 3.5Å; Y76-M80 PolarHBondContact O-N 3.03Å; M77-M80 PolarHBondContact O-N 3.23Å; M80-P199 HydrophobicContact CG-CB 4.07Å; M80-P199 HydrophobicContact CG-CG 4.3Å; M80-P199 HydrophobicContact SD-CB 3.97Å; M80-P199 HydrophobicContact SD-CG 3.67Å
81F94.4Very high93.1Very high104 Ų10441.5 Ų41.546%0.45622%0.223SC..Hα-helixtrans-84.8-20.4-179.2-84-114.6000113.9M35 I39 M77 A78 V79M35-F81 HydrophobicContact CG-CB 4.27Å; M35-F81 HydrophobicContact CG-CD1 3.93Å; I39-F81 HydrophobicContact CD1-CD1 4.2Å; I39-F81 HydrophobicContact CD1-CE1 4.16Å; I39-F81 HydrophobicContact CG1-CB 4.23Å; I39-F81 HydrophobicContact CG1-CD1 3.84Å; I39-F81 HydrophobicContact CG1-CD2 4.44Å; I39-F81 HydrophobicContact CG1-CE1 4.3Å; I39-F81 HydrophobicContact CG1-CG 3.91Å; M77-F81 HydrophobicContact CE-CD2 4.42Å; M77-F81 HydrophobicContact CE-CE2 3.73Å; M77-F81 VanDerWaalsContact O-CD2 3.24Å; M77-F81 WeakPolarHBondContact O-CD2 3.28Å; M77-F81 PolarHBondContact O-N 3.35Å; M77-F81 VanDerWaalsContact O-N 3.1Å; A78-F81 PolarHBondContact O-N 3Å; V79-F81 VanDerWaalsContact C-N 3.26Å; V79-F81 PolarHBondContact O-N 2.79Å
82S94.5Very high93.1Very high0 Ų040.7 Ų40.70%022%0.219CC..Hα-helixtrans-107.1-38.1-173.356.20000114G32 A78 V79 Q84 C85 G86 G88 C90G32-S82 WeakPolarHBondContact O-CB 3.45Å; A78-S82 VanDerWaalsContact O-CB 3.32Å; A78-S82 WeakPolarHBondContact O-CB 3.43Å; A78-S82 PolarHBondContact O-N 2.74Å; A78-S82 PolarHBondContact O-OG 2.75Å; V79-S82 WeakPolarHBondContact CA-OG 3.33Å; V79-S82 PolarHBondContact O-N 3.49Å; V79-S82 PolarHBondContact O-OG 2.85Å; S82-Q84 PolarHBondContact O-N 2.84Å; S82-Q84 VanDerWaalsContact O-N 3.14Å; S82-C85 PolarHBondContact O-N 2.95Å; S82-C85 VanDerWaalsContact O-N 3.09Å; S82-G86 PolarHBondContact O-N 2.93Å; S82-G88 VanDerWaalsContact OG-CA 3.23Å; S82-G88 WeakPolarHBondContact OG-CA 3.37Å; S82-C90 PolarHBondContact OG-SG 3.09Å
83G81Confident93.1Very high39 Ų3940.6 Ų40.640%0.40222%0.218SC..THydrogen-bonded Turntrans-65.3-19.2-169.300000115.3V79V79-G83 PolarHBondContact O-N 3.4Å
84Q77.9Confident93.1Very high159 Ų15935.6 Ų35.674%0.74320%0.197SC*.THydrogen-bonded Turntrans-83.5-19.4177.3-60.7-175.710.400113.4S82S82-Q84 PolarHBondContact O-N 2.84Å; S82-Q84 VanDerWaalsContact O-N 3.14Å
85C77.7Confident93.1Very high61 Ų6135.6 Ų35.641%0.41220%0.197SC..THydrogen-bonded Turntrans-113.5-23.8-177.6-750000112.8R28 A29 S82R28-C85 CarbonylContact C-O 3.5Å; R28-C85 VanDerWaalsContact C-O 3.23Å; A29-C85 WeakPolarHBondContact CA-O 3.23Å; A29-C85 PolarHBondContact N-O 2.86Å; A29-C85 VanDerWaalsContact N-O 3.11Å; S82-C85 PolarHBondContact O-N 2.95Å; S82-C85 VanDerWaalsContact O-N 3.09Å
86G72.2Confident93.1Very high19 Ų1936.4 Ų36.420%0.19620%0.201CC..SBendtrans-142.8-160.1-177.900000113.2S82 G88S82-G86 PolarHBondContact O-N 2.93Å; G86-G88 VanDerWaalsContact C-N 3.28Å
87S86.7Confident93.1Very high46 Ų4633.1 Ų33.132%0.32219%0.188SC..  trans-78.8-16.9-179.9-55.70000112.5E33 H89 L104 Y112E33-S87 PolarHBondContact OE1-N 3.33Å; S87-H89 VanDerWaalsContact C-N 3.32Å; S87-H89 PolarHBondContact O-N 2.85Å; S87-L104 WeakPolarHBondContact OG-CD1 3.28Å; S87-Y112 WeakPolarHBondContact OG-CE2 3.26Å; S87-Y112 PolarHBondContact OG-OH 2.87Å
88G94Very high93.1Very high8 Ų830.7 Ų30.78%0.08218%0.176CC..  trans72.624.5178.100000113.6E33 S82 G86E33-G88 PolarHBondContact OE1-N 3.39Å; S82-G88 VanDerWaalsContact OG-CA 3.23Å; S82-G88 WeakPolarHBondContact OG-CA 3.37Å; G86-G88 VanDerWaalsContact C-N 3.28Å
89H97.8Very high93.1Very high44 Ų4430.7 Ų30.720%0.20418%0.176CC..  trans-72.9-42.3-176.8-65.4168.9000111.6E33 S87 N91 V94 T95E33-H89 PolarHBondContact OE1-N 3.07Å; E33-H89 PolarHBondContact OE2-N 3.48Å; S87-H89 VanDerWaalsContact C-N 3.32Å; S87-H89 PolarHBondContact O-N 2.85Å; H89-N91 VanDerWaalsContact O-CB 3.25Å; H89-N91 WeakPolarHBondContact O-CB 3.18Å; H89-N91 PolarHBondContact O-N 3.14Å; H89-V94 HydrophobicContact CB-CG1 4.31Å; H89-T95 WeakPolarHBondContact CB-OG1 3.36Å; H89-T95 WeakPolarHBondContact ND1-CA 3.28Å; H89-T95 PolarHBondContact ND1-OG1 3.4Å
90C98.2Very high93.2Very high4 Ų432.5 Ų32.53%0.02719%0.187CC..  trans47.726.2-173.6-54.70000112.8E33 G36 L40 S82 N222E33-C90 WeakPolarHBondContact OE2-CA 3.37Å; E33-C90 PolarHBondContact OE2-N 3.43Å; G36-C90 VanDerWaalsContact C-SG 3.55Å; G36-C90 VanDerWaalsContact CA-SG 3.57Å; L40-C90 HydrophobicContact CD2-CB 4.39Å; S82-C90 PolarHBondContact OG-SG 3.09Å; C90-N222 PolarHBondContact O-ND2 3.5Å
91N98.7Very high93.3Very high6 Ų630.7 Ų30.73%0.03218%0.18CC..  trans-156.1115-167.6-175.1-23.4000110.3H89 A93 V94 T95 Q116 L221 N222H89-N91 VanDerWaalsContact O-CB 3.25Å; H89-N91 WeakPolarHBondContact O-CB 3.18Å; H89-N91 PolarHBondContact O-N 3.14Å; N91-A93 VanDerWaalsContact C-N 3.29Å; N91-A93 PolarHBondContact O-N 2.87Å; N91-A93 WeakPolarHBondContact OD1-CB 3.07Å; N91-A93 PolarHBondContact OD1-N 2.64Å; N91-V94 HydrophobicContact CB-CB 4.08Å; N91-V94 HydrophobicContact CB-CG2 4.04Å; N91-V94 PolarHBondContact O-N 2.95Å; N91-V94 PolarHBondContact OD1-N 3.43Å; N91-T95 WeakPolarHBondContact O-CB 3.36Å; N91-T95 PolarHBondContact O-N 3.01Å; N91-T95 PolarHBondContact O-OG1 2.85Å; N91-Q116 VanDerWaalsContact C-OE1 3.32Å; N91-Q116 VanDerWaalsContact N-NE2 3.19Å; N91-L221 PolarHBondContact ND2-O 3.04Å; N91-N222 HydrophobicContact CB-CB 4.34Å; N91-N222 VanDerWaalsContact CG-CG 3.44Å; N91-N222 WeakPolarHBondContact ND2-CB 3.28Å
92P98.9Very high93.3Very high0 Ų028.9 Ų28.90%019%0.191CC..Hα-helixtrans-59.9-35.4178-27.735.1000114T95 L96 T113 Q116 N222 P223 A224 Y258P92-T95 WeakPolarHBondContact O-CB 3.35Å; P92-T95 PolarHBondContact O-N 3.09Å; P92-L96 PolarHBondContact O-N 3.08Å; P92-T113 HydrophobicContact CB-CG2 3.98Å; P92-T113 HydrophobicContact CG-CG2 3.98Å; P92-Q116 VanDerWaalsContact CA-OE1 3.32Å; P92-Q116 VanDerWaalsContact CD-OE1 3.23Å; P92-Q116 HydrophobicContact CG-CB 4.42Å; P92-Q116 VanDerWaalsContact CG-OE1 3.29Å; P92-N222 VanDerWaalsContact CD-OD1 3.28Å; P92-N222 WeakPolarHBondContact CD-OD1 3.49Å; P92-P223 HydrophobicContact CB-CB 4.31Å; P92-P223 HydrophobicContact CB-CG 4.3Å; P92-P223 HydrophobicContact CG-CB 4.23Å; P92-A224 VanDerWaalsContact CD-CB 3.5Å; P92-A224 HydrophobicContact CG-CB 3.75Å; P92-Y258 HydrophobicContact CB-CE1 4Å; P92-Y258 WeakPolarHBondContact CB-OH 3.44Å
93A98.9Very high93.2Very high0 Ų032.8 Ų32.80%021%0.208CC..Hα-helixtrans-70.2-45.5-178.400000111.9N91 T95 L96 A97 T175 P223 P257 Y258 A261N91-A93 VanDerWaalsContact C-N 3.29Å; N91-A93 PolarHBondContact O-N 2.87Å; N91-A93 WeakPolarHBondContact OD1-CB 3.07Å; N91-A93 PolarHBondContact OD1-N 2.64Å; A93-T95 VanDerWaalsContact C-N 3.26Å; A93-T95 PolarHBondContact O-N 3.49Å; A93-L96 PolarHBondContact O-N 2.88Å; A93-A97 PolarHBondContact O-N 3.4Å; A93-T175 HydrophobicContact CB-CG2 4.4Å; A93-P223 HydrophobicContact CB-CG 4.13Å; A93-P257 HydrophobicContact CB-CB 3.98Å; A93-P257 WeakPolarHBondContact CB-O 3.17Å; A93-Y258 HydrophobicContact CB-CD1 4.05Å; A93-Y258 HydrophobicContact CB-CE1 4.49Å; A93-Y258 HydrophobicContact CB-CG 4.47Å; A93-A261 VanDerWaalsContact C-CB 3.5Å; A93-A261 HydrophobicContact CB-CB 3.73Å; A93-A261 VanDerWaalsContact O-CB 3.28Å; A93-A261 WeakPolarHBondContact O-CB 3.34Å
94V98.7Very high93.9Very high13 Ų1331.4 Ų31.48%0.07919%0.191CC..Hα-helixtrans-62.3-37.6173.11750000110.7H89 N91 A97 A98 L178H89-V94 HydrophobicContact CB-CG1 4.31Å; N91-V94 HydrophobicContact CB-CB 4.08Å; N91-V94 HydrophobicContact CB-CG2 4.04Å; N91-V94 PolarHBondContact O-N 2.95Å; N91-V94 PolarHBondContact OD1-N 3.43Å; V94-A97 PolarHBondContact O-N 3.27Å; V94-A98 WeakPolarHBondContact O-CB 3.42Å; V94-A98 PolarHBondContact O-N 3.42Å; V94-L178 HydrophobicContact CG2-CD2 4.36Å
95T98.6Very high94.7Very high0 Ų027.4 Ų27.40%018%0.179CC..Hα-helixtrans-61.7-44.3175.7-58.20000112.3H89 N91 P92 A93 A99 L104 I109 Y112 Q116H89-T95 WeakPolarHBondContact CB-OG1 3.36Å; H89-T95 WeakPolarHBondContact ND1-CA 3.28Å; H89-T95 PolarHBondContact ND1-OG1 3.4Å; N91-T95 WeakPolarHBondContact O-CB 3.36Å; N91-T95 PolarHBondContact O-N 3.01Å; N91-T95 PolarHBondContact O-OG1 2.85Å; P92-T95 WeakPolarHBondContact O-CB 3.35Å; P92-T95 PolarHBondContact O-N 3.09Å; A93-T95 VanDerWaalsContact C-N 3.26Å; A93-T95 PolarHBondContact O-N 3.49Å; T95-A99 PolarHBondContact O-N 3.39Å; T95-A99 VanDerWaalsContact O-N 3.15Å; T95-L104 HydrophobicContact CG2-CD2 3.5Å; T95-I109 HydrophobicContact CG2-CG1 4.25Å; T95-Y112 HydrophobicContact CG2-CD2 3.68Å; T95-Y112 HydrophobicContact CG2-CG 4.2Å; T95-Q116 PolarHBondContact OG1-NE2 3.47Å
96L98.8Very high95.7Very high43 Ų4330.4 Ų30.423%0.22519%0.185CC..Hα-helixtrans-62.3-49.3174.2175.863.6000111P92 A93 A98 A99 V100 I109 Y258 V262P92-L96 PolarHBondContact O-N 3.08Å; A93-L96 PolarHBondContact O-N 2.88Å; L96-A98 VanDerWaalsContact C-N 3.33Å; L96-A98 PolarHBondContact O-N 3Å; L96-A99 WeakPolarHBondContact O-CB 3.46Å; L96-A99 PolarHBondContact O-N 3.5Å; L96-V100 HydrophobicContact CD1-CG2 4.2Å; L96-V100 HydrophobicContact CG-CG2 4.36Å; L96-V100 WeakPolarHBondContact O-CG2 3.48Å; L96-V100 PolarHBondContact O-N 3.23Å; L96-I109 HydrophobicContact CD1-CD1 3.96Å; L96-Y258 HydrophobicContact CB-CD1 4.11Å; L96-Y258 HydrophobicContact CB-CE1 4.24Å; L96-Y258 HydrophobicContact CD2-CD1 3.56Å; L96-Y258 HydrophobicContact CD2-CE1 4.22Å; L96-Y258 HydrophobicContact CD2-CG 4.36Å; L96-Y258 HydrophobicContact CG-CD1 4.49Å; L96-V262 HydrophobicContact CD2-CG2 3.88Å; L96-V262 HydrophobicContact CG-CG2 4.03Å
97A98.8Very high96.8Very high0 Ų039.1 Ų39.10%021%0.212CC..Hα-helixtrans-60.3-43.2-178.700000112.1A93 V94 A99 V100 V101 T179 F183 A261A93-A97 PolarHBondContact O-N 3.4Å; V94-A97 PolarHBondContact O-N 3.27Å; A97-A99 VanDerWaalsContact C-N 3.25Å; A97-A99 PolarHBondContact O-N 3.06Å; A97-V100 PolarHBondContact O-N 3.17Å; A97-V101 WeakPolarHBondContact O-CG2 3.38Å; A97-V101 PolarHBondContact O-N 3.2Å; A97-T179 HydrophobicContact CB-CG2 3.64Å; A97-F183 HydrophobicContact CB-CZ 4.33Å; A97-A261 HydrophobicContact CB-CB 3.91Å; A97-A261 VanDerWaalsContact CB-O 3.29Å; A97-A261 WeakPolarHBondContact CB-O 3.34Å
98A98.4Very high97.2Very high2 Ų240.4 Ų40.42%0.01721%0.21CC..Hα-helixtrans-59.1-37.8174.600000111.8V94 L96 G102 K103 L104 F183V94-A98 WeakPolarHBondContact O-CB 3.42Å; V94-A98 PolarHBondContact O-N 3.42Å; L96-A98 VanDerWaalsContact C-N 3.33Å; L96-A98 PolarHBondContact O-N 3Å; A98-G102 PolarHBondContact O-N 3.23Å; A98-K103 HydrophobicContact CB-CB 4.31Å; A98-K103 WeakPolarHBondContact O-CA 3.38Å; A98-K103 WeakPolarHBondContact O-CB 3.28Å; A98-K103 PolarHBondContact O-N 2.91Å; A98-L104 HydrophobicContact CB-CB 4.06Å; A98-L104 PolarHBondContact O-N 3.41Å; A98-L104 VanDerWaalsContact O-N 3.16Å; A98-F183 HydrophobicContact CB-CE1 4.37Å; A98-F183 HydrophobicContact CB-CZ 4.21Å
99A98.3Very high97.4Very high2 Ų241.3 Ų41.32%0.01721%0.213CC..Hα-helixtrans-70.3-41.4175.200000113T95 L96 A97 V101 G102 L104 F106 I109T95-A99 PolarHBondContact O-N 3.39Å; T95-A99 VanDerWaalsContact O-N 3.15Å; L96-A99 WeakPolarHBondContact O-CB 3.46Å; L96-A99 PolarHBondContact O-N 3.5Å; A97-A99 VanDerWaalsContact C-N 3.25Å; A97-A99 PolarHBondContact O-N 3.06Å; A99-V101 VanDerWaalsContact C-N 3.29Å; A99-V101 PolarHBondContact O-N 2.97Å; A99-G102 PolarHBondContact O-N 3.5Å; A99-L104 WeakPolarHBondContact CA-O 3.33Å; A99-L104 HydrophobicContact CB-CB 4.34Å; A99-L104 WeakPolarHBondContact CB-O 3.45Å; A99-F106 HydrophobicContact CB-CD1 3.98Å; A99-F106 HydrophobicContact CB-CD2 4.31Å; A99-F106 HydrophobicContact CB-CE1 4Å; A99-F106 HydrophobicContact CB-CE2 4.34Å; A99-F106 HydrophobicContact CB-CG 4.13Å; A99-F106 HydrophobicContact CB-CZ 4.19Å; A99-F106 VanDerWaalsContact O-CE2 3.29Å; A99-F106 WeakPolarHBondContact O-CE2 3.1Å; A99-I109 HydrophobicContact CB-CD1 3.7Å; A99-I109 HydrophobicContact CB-CG1 4.11Å
100V98.5Very high97.4Very high59 Ų5943 Ų4336%0.35823%0.228SC..Hα-helixtrans-58.4-40.7176.9169.20000111.7L96 A97 G102 F106 V262 I266L96-V100 HydrophobicContact CD1-CG2 4.2Å; L96-V100 HydrophobicContact CG-CG2 4.36Å; L96-V100 WeakPolarHBondContact O-CG2 3.48Å; L96-V100 PolarHBondContact O-N 3.23Å; A97-V100 PolarHBondContact O-N 3.17Å; V100-G102 VanDerWaalsContact C-N 3.29Å; V100-G102 PolarHBondContact O-N 2.9Å; V100-F106 HydrophobicContact CG2-CE1 4.46Å; V100-F106 HydrophobicContact CG2-CZ 4.37Å; V100-V262 HydrophobicContact CG1-CG1 4.35Å; V100-V262 HydrophobicContact CG2-CG2 4.3Å; V100-I266 HydrophobicContact CG1-CD1 4.3Å; V100-I266 HydrophobicContact CG1-CG1 4.37Å
101V97.2Very high97.4Very high36 Ų3647 Ų4722%0.21825%0.245CC..THydrogen-bonded Turntrans-88.411.7178.1-55.20000113.9A97 A99 K103 F183 E269A97-V101 WeakPolarHBondContact O-CG2 3.38Å; A97-V101 PolarHBondContact O-N 3.2Å; A99-V101 VanDerWaalsContact C-N 3.29Å; A99-V101 PolarHBondContact O-N 2.97Å; V101-K103 VanDerWaalsContact C-N 3.32Å; V101-K103 HydrophobicContact CG2-CB 4.31Å; V101-K103 HydrophobicContact CG2-CD 3.82Å; V101-K103 HydrophobicContact CG2-CG 3.88Å; V101-K103 PolarHBondContact O-N 3.4Å; V101-F183 HydrophobicContact CB-CE2 4.48Å; V101-F183 HydrophobicContact CG1-CE2 4.23Å; V101-F183 HydrophobicContact CG2-CD2 4.35Å; V101-F183 HydrophobicContact CG2-CE2 3.48Å; V101-F183 VanDerWaalsContact CG2-CE2 3.48Å; V101-F183 HydrophobicContact CG2-CZ 3.86Å; V101-E269 HydrophobicContact CB-CG 4.03Å; V101-E269 HydrophobicContact CG1-CG 3.95Å
102G95.5Very high97.4Very high65 Ų6546.7 Ų46.767%0.6724%0.243SC*.THydrogen-bonded Turntrans77.28174.900000116A98 A99 V100A98-G102 PolarHBondContact O-N 3.23Å; A99-G102 PolarHBondContact O-N 3.5Å; V100-G102 VanDerWaalsContact C-N 3.29Å; V100-G102 PolarHBondContact O-N 2.9Å
103K93.4Very high97.4Very high83 Ų8347.8 Ų47.836%0.36125%0.25SC..SBendtrans-81.6-12.3176.6-66.6177-175.1176.60113.4A98 V101 F183 E269A98-K103 HydrophobicContact CB-CB 4.31Å; A98-K103 WeakPolarHBondContact O-CA 3.38Å; A98-K103 WeakPolarHBondContact O-CB 3.28Å; A98-K103 PolarHBondContact O-N 2.91Å; V101-K103 VanDerWaalsContact C-N 3.32Å; V101-K103 HydrophobicContact CG2-CB 4.31Å; V101-K103 HydrophobicContact CG2-CD 3.82Å; V101-K103 HydrophobicContact CG2-CG 3.88Å; V101-K103 PolarHBondContact O-N 3.4Å; K103-F183 HydrophobicContact CD-CE1 4.44Å; K103-F183 HydrophobicContact CD-CZ 4.46Å; K103-E269 WeakPolarHBondContact CE-OE1 3.24Å; K103-E269 IonicContact NZ-OE1 3.1Å; K103-E269 PolarHBondContact NZ-OE1 2.77Å
104L94.7Very high97.4Very high9 Ų953.7 Ų53.75%0.04728%0.276CS..SBendtrans-144.3137.7178.9-166.876.1000111.9S87 T95 A98 A99 F106 R108 Y112S87-L104 WeakPolarHBondContact OG-CD1 3.28Å; T95-L104 HydrophobicContact CG2-CD2 3.5Å; A98-L104 HydrophobicContact CB-CB 4.06Å; A98-L104 PolarHBondContact O-N 3.41Å; A98-L104 VanDerWaalsContact O-N 3.16Å; A99-L104 WeakPolarHBondContact CA-O 3.33Å; A99-L104 HydrophobicContact CB-CB 4.34Å; A99-L104 WeakPolarHBondContact CB-O 3.45Å; L104-F106 PolarHBondContact O-N 3.3Å; L104-R108 HydrophobicContact CD2-CB 4.18Å; L104-R108 HydrophobicContact CG-CB 4.32Å; L104-Y112 HydrophobicContact CD1-CE2 4.24Å; L104-Y112 HydrophobicContact CD2-CD2 4.26Å; L104-Y112 HydrophobicContact CD2-CE2 4.05Å
105P95.6Very high97.3Very high76 Ų7656 Ų5649%0.49428%0.284SS..  trans-64130.5172.5-21.132.3000112R107 R108P105-R107 PolarHBondContact O-N 3.4Å; P105-R108 HydrophobicContact CB-CG 4.49Å; P105-R108 WeakPolarHBondContact O-CB 3.28Å; P105-R108 PolarHBondContact O-N 3.46Å
106F97.4Very high97.3Very high124 Ų12456 Ų5654%0.54428%0.284SS..G310 helixtrans-52.3-33.2178.8-80.8-88.3000113.9A99 V100 L104 R108 I109A99-F106 HydrophobicContact CB-CD1 3.98Å; A99-F106 HydrophobicContact CB-CD2 4.31Å; A99-F106 HydrophobicContact CB-CE1 4Å; A99-F106 HydrophobicContact CB-CE2 4.34Å; A99-F106 HydrophobicContact CB-CG 4.13Å; A99-F106 HydrophobicContact CB-CZ 4.19Å; A99-F106 VanDerWaalsContact O-CE2 3.29Å; A99-F106 WeakPolarHBondContact O-CE2 3.1Å; V100-F106 HydrophobicContact CG2-CE1 4.46Å; V100-F106 HydrophobicContact CG2-CZ 4.37Å; L104-F106 PolarHBondContact O-N 3.3Å; F106-R108 PolarHBondContact O-N 3.46Å; F106-R108 VanDerWaalsContact O-N 3.07Å; F106-I109 HydrophobicContact CB-CD1 4.31Å; F106-I109 HydrophobicContact CD1-CD1 3.5Å; F106-I109 HydrophobicContact CE1-CD1 4.18Å; F106-I109 HydrophobicContact CG-CD1 4.24Å; F106-I109 WeakPolarHBondContact O-CB 3.25Å; F106-I109 WeakPolarHBondContact O-CG1 3.3Å; F106-I109 PolarHBondContact O-N 3.22Å
107R96.4Very high97.4Very high202 Ų20255.6 Ų55.676%0.76228%0.282SS*.G310 helixtrans-58-23.8177.9-174173.9178.5137.30.3113.2P105 F111P105-R107 PolarHBondContact O-N 3.4Å; R107-F111 HydrophobicContact CG-CE2 4.4Å; R107-F111 WeakPolarHBondContact O-CD2 3.4Å; R107-F111 WeakPolarHBondContact O-CE2 3.36Å
108R95.2Very high97.4Very high73 Ų7358.7 Ų58.728%0.27530%0.298SS..G310 helixtrans-77-25179.2-62.2-165.6-179.4-171.36.5113.3L26 L104 P105 F106 F111 Y112L26-R108 HydrophobicContact CD1-CG 4.08Å; L104-R108 HydrophobicContact CD2-CB 4.18Å; L104-R108 HydrophobicContact CG-CB 4.32Å; P105-R108 HydrophobicContact CB-CG 4.49Å; P105-R108 WeakPolarHBondContact O-CB 3.28Å; P105-R108 PolarHBondContact O-N 3.46Å; F106-R108 PolarHBondContact O-N 3.46Å; F106-R108 VanDerWaalsContact O-N 3.07Å; R108-F111 PolarHBondContact O-N 2.89Å; R108-Y112 HydrophobicContact CB-CD1 4.12Å; R108-Y112 HydrophobicContact CB-CE1 4.01Å; R108-Y112 HydrophobicContact CG-CE1 4.44Å; R108-Y112 PolarHBondContact NH1-OH 3.44Å; R108-Y112 WeakPolarHBondContact O-CB 3.1Å; R108-Y112 PolarHBondContact O-N 2.83Å
109I97.8Very high97.4Very high27 Ų2758.6 Ų58.614%0.13830%0.298CS..Hα-helixtrans-51.3-58.3-174.7-60.8169.5000112.2T95 L96 A99 F106 F111 Y112 T113T95-I109 HydrophobicContact CG2-CG1 4.25Å; L96-I109 HydrophobicContact CD1-CD1 3.96Å; A99-I109 HydrophobicContact CB-CD1 3.7Å; A99-I109 HydrophobicContact CB-CG1 4.11Å; F106-I109 HydrophobicContact CB-CD1 4.31Å; F106-I109 HydrophobicContact CD1-CD1 3.5Å; F106-I109 HydrophobicContact CE1-CD1 4.18Å; F106-I109 HydrophobicContact CG-CD1 4.24Å; F106-I109 WeakPolarHBondContact O-CB 3.25Å; F106-I109 WeakPolarHBondContact O-CG1 3.3Å; F106-I109 PolarHBondContact O-N 3.22Å; I109-F111 VanDerWaalsContact C-N 3.3Å; I109-F111 PolarHBondContact O-N 3.5Å; I109-Y112 PolarHBondContact O-N 3.36Å; I109-T113 WeakPolarHBondContact O-CB 3.46Å; I109-T113 PolarHBondContact O-N 2.94Å; I109-T113 PolarHBondContact O-OG1 2.91Å
110P98.2Very high97.4Very high80 Ų8058.6 Ų58.652%0.51930%0.298SS..Hα-helixtrans-62.2-36.6-175.323.6-34.8000112.9F114P110-F114 WeakPolarHBondContact O-CB 3.41Å; P110-F114 PolarHBondContact O-N 3.24Å
111F97.7Very high97.4Very high87 Ų8757.5 Ų57.538%0.38229%0.288SS..Hα-helixtrans-69.5-48.6178.1-59.7-74.5000111.3L26 R107 R108 I109 T113 F114 F115L26-F111 HydrophobicContact CD1-CB 4.44Å; L26-F111 HydrophobicContact CD1-CD2 4.43Å; L26-F111 HydrophobicContact CD2-CD2 4.03Å; L26-F111 HydrophobicContact CD2-CE2 4.19Å; L26-F111 HydrophobicContact CD2-CG 4.41Å; R107-F111 HydrophobicContact CG-CE2 4.4Å; R107-F111 WeakPolarHBondContact O-CD2 3.4Å; R107-F111 WeakPolarHBondContact O-CE2 3.36Å; R108-F111 PolarHBondContact O-N 2.89Å; I109-F111 VanDerWaalsContact C-N 3.3Å; I109-F111 PolarHBondContact O-N 3.5Å; F111-T113 PolarHBondContact O-N 3.39Å; F111-F114 PolarHBondContact O-N 2.92Å; F111-F115 VanDerWaalsContact O-CD2 3.27Å; F111-F115 WeakPolarHBondContact O-CD2 3.13Å; F111-F115 PolarHBondContact O-N 3.29Å
112Y97.9Very high97.5Very high0 Ų058.7 Ų58.70%029%0.293CS..Hα-helixtrans-58.4-50176.7-82.628000110.4L26 A29 E33 S87 T95 L104 R108 I109 F114 F115 Q116L26-Y112 HydrophobicContact CD1-CE1 4.41Å; A29-Y112 HydrophobicContact CB-CE1 3.71Å; A29-Y112 WeakPolarHBondContact CB-OH 3.37Å; E33-Y112 HydrophobicContact CG-CD1 4.13Å; E33-Y112 HydrophobicContact CG-CD2 3.74Å; E33-Y112 HydrophobicContact CG-CE1 4.27Å; E33-Y112 HydrophobicContact CG-CE2 3.9Å; E33-Y112 HydrophobicContact CG-CG 3.88Å; S87-Y112 WeakPolarHBondContact OG-CE2 3.26Å; S87-Y112 PolarHBondContact OG-OH 2.87Å; T95-Y112 HydrophobicContact CG2-CD2 3.68Å; T95-Y112 HydrophobicContact CG2-CG 4.2Å; L104-Y112 HydrophobicContact CD1-CE2 4.24Å; L104-Y112 HydrophobicContact CD2-CD2 4.26Å; L104-Y112 HydrophobicContact CD2-CE2 4.05Å; R108-Y112 HydrophobicContact CB-CD1 4.12Å; R108-Y112 HydrophobicContact CB-CE1 4.01Å; R108-Y112 HydrophobicContact CG-CE1 4.44Å; R108-Y112 PolarHBondContact NH1-OH 3.44Å; R108-Y112 WeakPolarHBondContact O-CB 3.1Å; R108-Y112 PolarHBondContact O-N 2.83Å; I109-Y112 PolarHBondContact O-N 3.36Å; Y112-F114 VanDerWaalsContact C-N 3.33Å; Y112-F114 PolarHBondContact O-N 3.09Å; Y112-F115 PolarHBondContact O-N 3.04Å; Y112-Q116 VanDerWaalsContact O-CB 3.28Å; Y112-Q116 WeakPolarHBondContact O-CB 3.45Å; Y112-Q116 WeakPolarHBondContact O-CG 3.42Å; Y112-Q116 PolarHBondContact O-N 2.82Å; Y112-Q116 PolarHBondContact O-OE1 3.42Å
113T98.7Very high97.7Very high22 Ų2255.6 Ų55.614%0.13526%0.261CS..Hα-helixtrans-57-45.3179.5-62.20000112.1P92 I109 F111 Q116 I117P92-T113 HydrophobicContact CB-CG2 3.98Å; P92-T113 HydrophobicContact CG-CG2 3.98Å; I109-T113 WeakPolarHBondContact O-CB 3.46Å; I109-T113 PolarHBondContact O-N 2.94Å; I109-T113 PolarHBondContact O-OG1 2.91Å; F111-T113 PolarHBondContact O-N 3.39Å; T113-Q116 PolarHBondContact O-N 2.88Å; T113-I117 HydrophobicContact CG2-CD1 3.72Å; T113-I117 WeakPolarHBondContact O-CB 3.17Å; T113-I117 WeakPolarHBondContact O-CD1 3.28Å; T113-I117 VanDerWaalsContact O-CG1 3.28Å; T113-I117 WeakPolarHBondContact O-CG1 3.16Å; T113-I117 PolarHBondContact O-N 3.43Å
114F98.7Very high97.9Very high125 Ų12551.7 Ų51.755%0.54824%0.244SC..Hα-helixtrans-59.2-51.2177175.6-97.3000112P110 F111 Y112 Q116 I117 L118P110-F114 WeakPolarHBondContact O-CB 3.41Å; P110-F114 PolarHBondContact O-N 3.24Å; F111-F114 PolarHBondContact O-N 2.92Å; Y112-F114 VanDerWaalsContact C-N 3.33Å; Y112-F114 PolarHBondContact O-N 3.09Å; F114-Q116 PolarHBondContact O-N 3.35Å; F114-I117 PolarHBondContact O-N 3.04Å; F114-L118 HydrophobicContact CE1-CD2 4.17Å; F114-L118 HydrophobicContact CZ-CD2 4.42Å; F114-L118 WeakPolarHBondContact O-CB 3.46Å; F114-L118 PolarHBondContact O-N 3.47Å
115F98.4Very high98.1Very high60 Ų6053.4 Ų53.426%0.26325%0.253SS..Hα-helixtrans-70.3-31.5-178.3-81.4-73000113.1C30 F34 F111 Y112 G119C30-F115 HydrophobicContact CB-CD2 3.48Å; C30-F115 VanDerWaalsContact CB-CD2 3.48Å; C30-F115 HydrophobicContact CB-CE2 3.75Å; C30-F115 HydrophobicContact CB-CG 4.01Å; C30-F115 HydrophobicContact CB-CZ 4.47Å; F34-F115 HydrophobicContact CB-CB 4.08Å; F34-F115 HydrophobicContact CB-CD1 4.02Å; F34-F115 HydrophobicContact CB-CG 4.45Å; F34-F115 HydrophobicContact CD2-CD1 4.22Å; F34-F115 HydrophobicContact CG-CD1 4.28Å; F111-F115 VanDerWaalsContact O-CD2 3.27Å; F111-F115 WeakPolarHBondContact O-CD2 3.13Å; F111-F115 PolarHBondContact O-N 3.29Å; Y112-F115 PolarHBondContact O-N 3.04Å; F115-G119 PolarHBondContact O-N 3.49Å
116Q98.7Very high98.3Very high0 Ų052.8 Ų52.80%025%0.248CC..Hα-helixtrans-65.2-47.5173.3-71.4162-14.600111.1E33 S37 N91 P92 T95 Y112 T113 F114 G119 A120 A224E33-Q116 HydrophobicContact CB-CG 4.07Å; E33-Q116 PolarHBondContact OE2-NE2 2.69Å; S37-Q116 WeakPolarHBondContact CB-O 3.37Å; S37-Q116 WeakPolarHBondContact OG-CA 3.43Å; N91-Q116 VanDerWaalsContact C-OE1 3.32Å; N91-Q116 VanDerWaalsContact N-NE2 3.19Å; P92-Q116 VanDerWaalsContact CA-OE1 3.32Å; P92-Q116 VanDerWaalsContact CD-OE1 3.23Å; P92-Q116 HydrophobicContact CG-CB 4.42Å; P92-Q116 VanDerWaalsContact CG-OE1 3.29Å; T95-Q116 PolarHBondContact OG1-NE2 3.47Å; Y112-Q116 VanDerWaalsContact O-CB 3.28Å; Y112-Q116 WeakPolarHBondContact O-CB 3.45Å; Y112-Q116 WeakPolarHBondContact O-CG 3.42Å; Y112-Q116 PolarHBondContact O-N 2.82Å; Y112-Q116 PolarHBondContact O-OE1 3.42Å; T113-Q116 PolarHBondContact O-N 2.88Å; F114-Q116 PolarHBondContact O-N 3.35Å; Q116-G119 PolarHBondContact O-N 3.43Å; Q116-A120 WeakPolarHBondContact O-CB 3.44Å; Q116-A120 PolarHBondContact O-N 3.46Å; Q116-A224 HydrophobicContact CB-CB 3.79Å
117I98.9Very high98.3Very high35 Ų3547 Ų4718%0.17922%0.223CC..Hα-helixtrans-63.1-45.2177-68.4164.2000110.7T113 F114 G119 A120 F121 A224 L227 L231T113-I117 HydrophobicContact CG2-CD1 3.72Å; T113-I117 WeakPolarHBondContact O-CB 3.17Å; T113-I117 WeakPolarHBondContact O-CD1 3.28Å; T113-I117 VanDerWaalsContact O-CG1 3.28Å; T113-I117 WeakPolarHBondContact O-CG1 3.16Å; T113-I117 PolarHBondContact O-N 3.43Å; F114-I117 PolarHBondContact O-N 3.04Å; I117-G119 PolarHBondContact O-N 3.25Å; I117-A120 PolarHBondContact O-N 2.85Å; I117-F121 WeakPolarHBondContact O-CB 3.48Å; I117-F121 PolarHBondContact O-N 3.26Å; I117-A224 HydrophobicContact CG1-CB 3.97Å; I117-L227 HydrophobicContact CD1-CD2 3.94Å; I117-L231 HydrophobicContact CG2-CD1 4.22Å
118L98.8Very high98.5Very high65 Ų6538.3 Ų38.334%0.3419%0.191SC..Hα-helixtrans-63.2-42.2178.7-175.863.9000111.7F34 F114 F121 L122F34-L118 HydrophobicContact CD2-CB 4.47Å; F34-L118 HydrophobicContact CD2-CD2 4.44Å; F34-L118 HydrophobicContact CD2-CG 4.41Å; F34-L118 HydrophobicContact CE2-CB 4.39Å; F34-L118 HydrophobicContact CE2-CD2 4.03Å; F34-L118 HydrophobicContact CE2-CG 3.9Å; F114-L118 HydrophobicContact CE1-CD2 4.17Å; F114-L118 HydrophobicContact CZ-CD2 4.42Å; F114-L118 WeakPolarHBondContact O-CB 3.46Å; F114-L118 PolarHBondContact O-N 3.47Å; L118-F121 WeakPolarHBondContact O-CB 3.33Å; L118-F121 PolarHBondContact O-N 3.43Å; L118-L122 WeakPolarHBondContact O-CG 3.37Å; L118-L122 PolarHBondContact O-N 2.92Å; L118-L122 VanDerWaalsContact O-N 3.08Å
119G98.9Very high98.6Very high0 Ų038.1 Ų38.10%020%0.204CC..Hα-helixtrans-64-45.317600000111.9I38 F115 Q116 I117 F121 L122 G123I38-G119 WeakPolarHBondContact CA-O 3.25Å; I38-G119 VanDerWaalsContact CG1-O 3.27Å; I38-G119 WeakPolarHBondContact CG1-O 3.45Å; F115-G119 PolarHBondContact O-N 3.49Å; Q116-G119 PolarHBondContact O-N 3.43Å; I117-G119 PolarHBondContact O-N 3.25Å; G119-F121 VanDerWaalsContact C-N 3.35Å; G119-F121 PolarHBondContact O-N 2.79Å; G119-L122 PolarHBondContact O-N 3.26Å; G119-G123 PolarHBondContact O-N 3.27Å
120A98.9Very high98.7Very high2 Ų243 Ų432%0.01723%0.23CC..Hα-helixtrans-62.9-40177.500000112.5M41 Q116 I117 S124 A224M41-A120 VanDerWaalsContact CG-CA 3.46Å; M41-A120 HydrophobicContact CG-CB 3.61Å; M41-A120 WeakPolarHBondContact CG-O 3.44Å; M41-A120 HydrophobicContact SD-CB 4.44Å; Q116-A120 WeakPolarHBondContact O-CB 3.44Å; Q116-A120 PolarHBondContact O-N 3.46Å; I117-A120 PolarHBondContact O-N 2.85Å; A120-S124 PolarHBondContact O-N 2.92Å; A120-S124 VanDerWaalsContact O-N 3.08Å; A120-S124 PolarHBondContact O-OG 3.07Å; A120-A224 HydrophobicContact CB-CB 4.45Å; A120-A224 WeakPolarHBondContact CB-O 3.36Å
121F98.9Very high98.7Very high37 Ų3741.7 Ų41.716%0.16222%0.215CC..Hα-helixtrans-56.3-51.8171.8174.8-81.9000111.7I117 L118 G119 S124 L125 G228 L231 M232 I235 F236I117-F121 WeakPolarHBondContact O-CB 3.48Å; I117-F121 PolarHBondContact O-N 3.26Å; L118-F121 WeakPolarHBondContact O-CB 3.33Å; L118-F121 PolarHBondContact O-N 3.43Å; G119-F121 VanDerWaalsContact C-N 3.35Å; G119-F121 PolarHBondContact O-N 2.79Å; F121-S124 PolarHBondContact O-N 3.01Å; F121-L125 HydrophobicContact CE1-CD2 4.32Å; F121-L125 WeakPolarHBondContact O-CB 3.35Å; F121-L125 PolarHBondContact O-N 3.18Å; F121-G228 WeakPolarHBondContact CD2-O 3.16Å; F121-L231 HydrophobicContact CD2-CB 3.97Å; F121-L231 HydrophobicContact CE2-CB 4.27Å; F121-M232 HydrophobicContact CD2-CB 3.75Å; F121-M232 VanDerWaalsContact CE2-CA 3.45Å; F121-M232 HydrophobicContact CE2-CB 3.76Å; F121-M232 HydrophobicContact CE2-CG 4.45Å; F121-M232 HydrophobicContact CG-CB 4.41Å; F121-M232 HydrophobicContact CZ-CB 4.4Å; F121-I235 HydrophobicContact CE2-CD1 4.1Å; F121-I235 HydrophobicContact CZ-CD1 4.32Å; F121-F236 HydrophobicContact CZ-CE2 4.17Å
122L98.9Very high98.7Very high61 Ų6143.9 Ų43.932%0.31922%0.221SC..Hα-helixtrans-70-38.7-176.8-69.8177.1000112.5F34 I38 L118 G119 S124 L125 V126F34-L122 HydrophobicContact CE2-CD1 3.81Å; F34-L122 HydrophobicContact CZ-CD1 3.67Å; I38-L122 HydrophobicContact CD1-CB 4.49Å; I38-L122 HydrophobicContact CG1-CB 4.32Å; L118-L122 WeakPolarHBondContact O-CG 3.37Å; L118-L122 PolarHBondContact O-N 2.92Å; L118-L122 VanDerWaalsContact O-N 3.08Å; G119-L122 PolarHBondContact O-N 3.26Å; L122-S124 VanDerWaalsContact C-N 3.34Å; L122-S124 PolarHBondContact O-N 2.96Å; L122-L125 HydrophobicContact CD2-CD2 4.38Å; L122-L125 WeakPolarHBondContact O-CB 3.42Å; L122-L125 PolarHBondContact O-N 2.9Å; L122-V126 WeakPolarHBondContact O-CG2 3.39Å; L122-V126 PolarHBondContact O-N 2.68Å
123G98.9Very high98.7Very high0 Ų051.6 Ų51.60%026%0.257CS..Hα-helixtrans-61.2-42.6175.400000112.2G119 V126 V127G119-G123 PolarHBondContact O-N 3.27Å; G123-V126 PolarHBondContact O-N 3.46Å; G123-V127 PolarHBondContact O-N 3.33Å
124S98.9Very high98.7Very high0 Ų055.4 Ų55.40%027%0.272CS..Hα-helixtrans-69-33.6173.3-72.40000113.5M41 A120 F121 L122 V126 V127 F128 F156 P229M41-S124 VanDerWaalsContact CE-OG 3.31Å; M41-S124 WeakPolarHBondContact CE-OG 3.34Å; A120-S124 PolarHBondContact O-N 2.92Å; A120-S124 VanDerWaalsContact O-N 3.08Å; A120-S124 PolarHBondContact O-OG 3.07Å; F121-S124 PolarHBondContact O-N 3.01Å; L122-S124 VanDerWaalsContact C-N 3.34Å; L122-S124 PolarHBondContact O-N 2.96Å; S124-V126 VanDerWaalsContact C-N 3.31Å; S124-V126 PolarHBondContact O-N 2.64Å; S124-V127 PolarHBondContact O-N 3.43Å; S124-F128 WeakPolarHBondContact O-CB 3.42Å; S124-F128 PolarHBondContact O-N 3.29Å; S124-F156 WeakPolarHBondContact O-CE1 3.08Å; S124-P229 WeakPolarHBondContact OG-CB 3.18Å; S124-P229 WeakPolarHBondContact OG-CG 3.38Å
125L98.8Very high98.7Very high46 Ų4649.5 Ų49.524%0.24125%0.246CC..Hα-helixtrans-62.7-38.4173.8-177.162.4000111.7F121 L122 F128 A129 M232 F236F121-L125 HydrophobicContact CE1-CD2 4.32Å; F121-L125 WeakPolarHBondContact O-CB 3.35Å; F121-L125 PolarHBondContact O-N 3.18Å; L122-L125 HydrophobicContact CD2-CD2 4.38Å; L122-L125 WeakPolarHBondContact O-CB 3.42Å; L122-L125 PolarHBondContact O-N 2.9Å; L125-F128 HydrophobicContact CD1-CD1 4.19Å; L125-F128 PolarHBondContact O-N 3.24Å; L125-A129 WeakPolarHBondContact O-CB 3.33Å; L125-A129 PolarHBondContact O-N 3.41Å; L125-M232 HydrophobicContact CB-CG 4.19Å; L125-M232 HydrophobicContact CD1-CG 4.21Å; L125-F236 HydrophobicContact CD1-CD1 4.47Å; L125-F236 HydrophobicContact CD1-CD2 4.07Å; L125-F236 HydrophobicContact CD1-CE1 4.24Å; L125-F236 HydrophobicContact CD1-CE2 3.84Å; L125-F236 HydrophobicContact CD1-CG 4.39Å; L125-F236 HydrophobicContact CD1-CZ 3.93Å
126V98.9Very high98.7Very high62 Ų6249.1 Ų49.138%0.37625%0.246SC..Hα-helixtrans-60-48.1173.2170.80000110.7I42 L122 G123 S124 F128 A129 L130I42-V126 HydrophobicContact CD1-CB 4.37Å; I42-V126 HydrophobicContact CD1-CG1 4.13Å; I42-V126 HydrophobicContact CG1-CB 4.27Å; I42-V126 HydrophobicContact CG1-CG1 4.22Å; L122-V126 WeakPolarHBondContact O-CG2 3.39Å; L122-V126 PolarHBondContact O-N 2.68Å; G123-V126 PolarHBondContact O-N 3.46Å; S124-V126 VanDerWaalsContact C-N 3.31Å; S124-V126 PolarHBondContact O-N 2.64Å; V126-F128 PolarHBondContact O-N 3.19Å; V126-A129 PolarHBondContact O-N 3.36Å; V126-L130 HydrophobicContact CG1-CD1 3.9Å; V126-L130 HydrophobicContact CG1-CG 4.46Å; V126-L130 VanDerWaalsContact O-CG 3.32Å; V126-L130 WeakPolarHBondContact O-CG 3.42Å; V126-L130 PolarHBondContact O-N 3.5Å
127V98.9Very high98.7Very high3 Ų351.9 Ų51.92%0.01826%0.259CS..Hα-helixtrans-63.1-42.9177.7177.80000111.1I42 A49 G123 S124 A129 L130 Y131 F156I42-V127 WeakPolarHBondContact O-CG2 3.39Å; A49-V127 HydrophobicContact CB-CG1 4.24Å; G123-V127 PolarHBondContact O-N 3.33Å; S124-V127 PolarHBondContact O-N 3.43Å; V127-A129 VanDerWaalsContact C-N 3.33Å; V127-A129 PolarHBondContact O-N 3.5Å; V127-L130 PolarHBondContact O-N 2.93Å; V127-Y131 HydrophobicContact CG1-CD2 3.81Å; V127-Y131 HydrophobicContact CG1-CE2 4.23Å; V127-Y131 WeakPolarHBondContact O-CD2 3.49Å; V127-Y131 PolarHBondContact O-N 3.4Å; V127-F156 HydrophobicContact CB-CE1 4.16Å; V127-F156 HydrophobicContact CG1-CE1 4.09Å
128F98.8Very high98.6Very high20 Ų2051.6 Ų51.69%0.08826%0.256CS..Hα-helixtrans-57.4-45.7174.8173.4-107.9000111.8S124 L125 V126 L130 Y131 R132 I135 F156 M232 F236 W238S124-F128 WeakPolarHBondContact O-CB 3.42Å; S124-F128 PolarHBondContact O-N 3.29Å; L125-F128 HydrophobicContact CD1-CD1 4.19Å; L125-F128 PolarHBondContact O-N 3.24Å; V126-F128 PolarHBondContact O-N 3.19Å; F128-L130 PolarHBondContact O-N 2.91Å; F128-Y131 PolarHBondContact O-N 3.44Å; F128-R132 HydrophobicContact CZ-CG 4.3Å; F128-R132 VanDerWaalsContact O-CA 3.24Å; F128-R132 WeakPolarHBondContact O-CA 3.5Å; F128-R132 VanDerWaalsContact O-CB 3.3Å; F128-R132 WeakPolarHBondContact O-CB 3.27Å; F128-R132 PolarHBondContact O-N 3.46Å; F128-I135 HydrophobicContact CD2-CD1 3.85Å; F128-I135 HydrophobicContact CE2-CD1 4.41Å; F128-F156 HydrophobicContact CB-CE1 4.14Å; F128-F156 HydrophobicContact CB-CZ 3.8Å; F128-F156 HydrophobicContact CD2-CE2 4.46Å; F128-F156 HydrophobicContact CD2-CZ 4.28Å; F128-M232 HydrophobicContact CB-CE 4.13Å; F128-M232 HydrophobicContact CB-SD 4.22Å; F128-M232 HydrophobicContact CG-SD 4.32Å; F128-F236 HydrophobicContact CE1-CB 4.07Å; F128-F236 HydrophobicContact CE1-CD1 4.27Å; F128-F236 HydrophobicContact CE1-CG 4.43Å; F128-F236 HydrophobicContact CZ-CB 4.32Å; F128-W238 HydrophobicContact CD2-CH2 4.32Å; F128-W238 HydrophobicContact CD2-CZ3 4.24Å; F128-W238 HydrophobicContact CE2-CH2 4.16Å; F128-W238 AromaticContact CE2-CZ3 3.92Å; F128-W238 HydrophobicContact CE2-CZ3 3.92Å
129A98.7Very high98.6Very high68 Ų6848.6 Ų48.656%0.56224%0.24SC*.Hα-helixtrans-61.9-43.8177.900000112.2L125 V126 V127L125-A129 WeakPolarHBondContact O-CB 3.33Å; L125-A129 PolarHBondContact O-N 3.41Å; V126-A129 PolarHBondContact O-N 3.36Å; V127-A129 VanDerWaalsContact C-N 3.33Å; V127-A129 PolarHBondContact O-N 3.5Å
130L98.7Very high98.6Very high131 Ų13155.7 Ų55.769%0.68627%0.271SS*.Hα-helixtrans-70-32.1-179-67.5173.4000113.3V126 V127 F128V126-L130 HydrophobicContact CG1-CD1 3.9Å; V126-L130 HydrophobicContact CG1-CG 4.46Å; V126-L130 VanDerWaalsContact O-CG 3.32Å; V126-L130 WeakPolarHBondContact O-CG 3.42Å; V126-L130 PolarHBondContact O-N 3.5Å; V127-L130 PolarHBondContact O-N 2.93Å; F128-L130 PolarHBondContact O-N 2.91Å
131Y98.4Very high98.5Very high52 Ų5260.7 Ų60.720%0.20430%0.297CS..Hα-helixtrans-104.68.5-179.6-73.1-91.3000113.7A49 Q50 L53 V127 F128 E133 K134 I135A49-Y131 HydrophobicContact CB-CD1 3.78Å; A49-Y131 HydrophobicContact CB-CD2 3.78Å; A49-Y131 HydrophobicContact CB-CE1 3.81Å; A49-Y131 HydrophobicContact CB-CE2 3.82Å; A49-Y131 HydrophobicContact CB-CG 3.75Å; Q50-Y131 PolarHBondContact NE2-OH 3.08Å; L53-Y131 HydrophobicContact CD1-CD1 3.84Å; L53-Y131 HydrophobicContact CD1-CG 4.26Å; V127-Y131 HydrophobicContact CG1-CD2 3.81Å; V127-Y131 HydrophobicContact CG1-CE2 4.23Å; V127-Y131 WeakPolarHBondContact O-CD2 3.49Å; V127-Y131 PolarHBondContact O-N 3.4Å; F128-Y131 PolarHBondContact O-N 3.44Å; Y131-E133 VanDerWaalsContact C-N 3.29Å; Y131-E133 PolarHBondContact O-N 3.34Å; Y131-K134 PolarHBondContact O-N 2.85Å; Y131-I135 WeakPolarHBondContact O-CG1 3.45Å; Y131-I135 PolarHBondContact O-N 3.24Å
132R98.4Very high98.5Very high132 Ų13262.8 Ų62.850%0.49831%0.31SS..Hα-helixtrans-52.5-46.4-171.1-174.7176.3176.8-81.8-1.7112.6F128 I135 I136F128-R132 HydrophobicContact CZ-CG 4.3Å; F128-R132 VanDerWaalsContact O-CA 3.24Å; F128-R132 WeakPolarHBondContact O-CA 3.5Å; F128-R132 VanDerWaalsContact O-CB 3.3Å; F128-R132 WeakPolarHBondContact O-CB 3.27Å; F128-R132 PolarHBondContact O-N 3.46Å; R132-I135 PolarHBondContact O-N 3.19Å; R132-I136 HydrophobicContact CG-CD1 3.91Å; R132-I136 VanDerWaalsContact O-CG1 3.29Å; R132-I136 WeakPolarHBondContact O-CG1 3.35Å; R132-I136 PolarHBondContact O-N 3.04Å
133E98.1Very high98.4Very high163 Ų16360.8 Ų60.876%0.76230%0.299SS*.Hα-helixtrans-64.7-43.2180-65.5-176.7172.200111.8Y131 I136 E137Y131-E133 VanDerWaalsContact C-N 3.29Å; Y131-E133 PolarHBondContact O-N 3.34Å; E133-I136 PolarHBondContact O-N 3.26Å; E133-E137 VanDerWaalsContact O-CB 3.24Å; E133-E137 WeakPolarHBondContact O-CB 3.32Å; E133-E137 PolarHBondContact O-N 2.82Å
134K98.3Very high98.3Very high101 Ų10168.8 Ų68.844%0.43934%0.342SS..Hα-helixtrans-66.9-35.3177.1-69.1-56.8-175-177.30113.1L53 Y131 E137 Y138L53-K134 HydrophobicContact CB-CB 4.36Å; L53-K134 HydrophobicContact CD1-CB 3.87Å; Y131-K134 PolarHBondContact O-N 2.85Å; K134-E137 WeakPolarHBondContact CD-OE2 3.47Å; K134-E137 IonicContact NZ-OE1 2.76Å; K134-E137 IonicContact NZ-OE2 2.91Å; K134-E137 PolarHBondContact NZ-OE2 3.04Å; K134-Y138 WeakPolarHBondContact O-CB 3.37Å; K134-Y138 PolarHBondContact O-N 3.3Å
135I98.6Very high98.2Very high1 Ų170.9 Ų70.91%0.00536%0.364CS..Hα-helixtrans-65.1-46.9173.4-70168.7000110.5L53 F128 Y131 R132 Y138 A139 L147 T152 I155 F156 W238L53-I135 HydrophobicContact CD1-CG1 3.76Å; L53-I135 HydrophobicContact CD2-CG1 4.33Å; F128-I135 HydrophobicContact CD2-CD1 3.85Å; F128-I135 HydrophobicContact CE2-CD1 4.41Å; Y131-I135 WeakPolarHBondContact O-CG1 3.45Å; Y131-I135 PolarHBondContact O-N 3.24Å; R132-I135 PolarHBondContact O-N 3.19Å; I135-Y138 PolarHBondContact O-N 3.1Å; I135-A139 WeakPolarHBondContact O-CB 3.16Å; I135-A139 PolarHBondContact O-N 3.38Å; I135-L147 HydrophobicContact CG2-CD2 3.68Å; I135-T152 HydrophobicContact CG2-CG2 4.2Å; I135-I155 HydrophobicContact CD1-CD1 4.37Å; I135-I155 HydrophobicContact CG1-CD1 4.09Å; I135-F156 HydrophobicContact CD1-CE2 3.96Å; I135-F156 HydrophobicContact CD1-CZ 3.88Å; I135-W238 HydrophobicContact CG2-CH2 3.94Å; I135-W238 HydrophobicContact CG2-CZ2 4.31Å
136I98.4Very high98.2Very high52 Ų5270.7 Ų70.727%0.26737%0.369SS..Hα-helixtrans-65.7-40.9178.4-69168.2000110.8R132 E133 A139 K140R132-I136 HydrophobicContact CG-CD1 3.91Å; R132-I136 VanDerWaalsContact O-CG1 3.29Å; R132-I136 WeakPolarHBondContact O-CG1 3.35Å; R132-I136 PolarHBondContact O-N 3.04Å; E133-I136 PolarHBondContact O-N 3.26Å; I136-A139 PolarHBondContact O-N 2.97Å; I136-K140 HydrophobicContact CG2-CD 4.22Å; I136-K140 WeakPolarHBondContact O-CG 3.34Å; I136-K140 PolarHBondContact O-N 3.45Å
137E98.1Very high98.2Very high59 Ų5969.8 Ų69.828%0.27636%0.362SS..Hα-helixtrans-59.3-50.6174.8-178.6179.3-168.700111.2H56 E133 K134 A139 K140 L141H56-E137 IonicContact CE1-OE1 3.25Å; H56-E137 PolarHBondContact CE1-OE1 3.01Å; H56-E137 IonicContact ND1-OE1 3.66Å; H56-E137 PolarHBondContact ND1-OE1 3.32Å; E133-E137 VanDerWaalsContact O-CB 3.24Å; E133-E137 WeakPolarHBondContact O-CB 3.32Å; E133-E137 PolarHBondContact O-N 2.82Å; K134-E137 WeakPolarHBondContact CD-OE2 3.47Å; K134-E137 IonicContact NZ-OE1 2.76Å; K134-E137 IonicContact NZ-OE2 2.91Å; K134-E137 PolarHBondContact NZ-OE2 3.04Å; E137-A139 VanDerWaalsContact C-N 3.32Å; E137-A139 PolarHBondContact O-N 3.42Å; E137-K140 PolarHBondContact O-N 3.47Å; E137-L141 HydrophobicContact CG-CD1 3.94Å; E137-L141 WeakPolarHBondContact O-CG 3.29Å; E137-L141 PolarHBondContact O-N 2.95Å
138Y98.4Very high98.1Very high29 Ų2972.8 Ų72.811%0.11438%0.378CS..Hα-helixtrans-55.4-48.9175.3-178.5-73.1000111.1I52 L53 G57 K134 I135 K140 L141 N142 D143 T151 T152I52-Y138 HydrophobicContact CG2-CE2 4.33Å; L53-Y138 HydrophobicContact CD2-CD2 3.96Å; L53-Y138 HydrophobicContact CD2-CG 4Å; G57-Y138 VanDerWaalsContact CA-CE2 3.46Å; K134-Y138 WeakPolarHBondContact O-CB 3.37Å; K134-Y138 PolarHBondContact O-N 3.3Å; I135-Y138 PolarHBondContact O-N 3.1Å; Y138-K140 VanDerWaalsContact C-N 3.31Å; Y138-K140 PolarHBondContact O-N 3.37Å; Y138-L141 PolarHBondContact O-N 2.67Å; Y138-N142 HydrophobicContact CD1-CB 4.15Å; Y138-N142 HydrophobicContact CE1-CB 3.81Å; Y138-N142 WeakPolarHBondContact O-CB 3.26Å; Y138-N142 PolarHBondContact O-N 3.15Å; Y138-N142 PolarHBondContact O-ND2 3.02Å; Y138-N142 VanDerWaalsContact O-ND2 3.14Å; Y138-D143 WeakPolarHBondContact CE1-OD2 3.29Å; Y138-T151 HydrophobicContact CE1-CG2 4.43Å; Y138-T152 HydrophobicContact CD1-CG2 3.37Å; Y138-T152 HydrophobicContact CE1-CG2 3.97Å; Y138-T152 HydrophobicContact CG-CG2 3.93Å
139A98.2Very high98.1Very high1 Ų172.5 Ų72.51%0.00838%0.377CS..Hα-helixtrans-60-41.9-178.600000111.8I135 I136 E137 D143 N144 G145 A146 L147I135-A139 WeakPolarHBondContact O-CB 3.16Å; I135-A139 PolarHBondContact O-N 3.38Å; I136-A139 PolarHBondContact O-N 2.97Å; E137-A139 VanDerWaalsContact C-N 3.32Å; E137-A139 PolarHBondContact O-N 3.42Å; A139-D143 CarbonylContact O-C 3.21Å; A139-D143 VanDerWaalsContact O-CA 3.31Å; A139-D143 WeakPolarHBondContact O-CA 3.49Å; A139-D143 PolarHBondContact O-N 3.25Å; A139-N144 PolarHBondContact O-N 2.94Å; A139-G145 WeakPolarHBondContact O-CA 3.36Å; A139-G145 PolarHBondContact O-N 2.86Å; A139-A146 WeakPolarHBondContact CB-O 3.38Å; A139-L147 HydrophobicContact CB-CD2 3.94Å
140K98.1Very high98Very high150 Ų15075 Ų7565%0.65238%0.38SS*.Hα-helixtrans-64.4-40.5176.6-74.7175.6179.3-1790112.8I136 E137 Y138I136-K140 HydrophobicContact CG2-CD 4.22Å; I136-K140 WeakPolarHBondContact O-CG 3.34Å; I136-K140 PolarHBondContact O-N 3.45Å; E137-K140 PolarHBondContact O-N 3.47Å; Y138-K140 VanDerWaalsContact C-N 3.31Å; Y138-K140 PolarHBondContact O-N 3.37Å
141L98Very high97.9Very high107 Ų10769.9 Ų69.956%0.5636%0.355SS*.Hα-helixtrans-79.2-35.7-176-68.6173.6000113.1H56 E137 Y138H56-L141 HydrophobicContact CB-CD1 3.9Å; E137-L141 HydrophobicContact CG-CD1 3.94Å; E137-L141 WeakPolarHBondContact O-CG 3.29Å; E137-L141 PolarHBondContact O-N 2.95Å; Y138-L141 PolarHBondContact O-N 2.67Å
142N97.3Very high97.9Very high80 Ų8067.4 Ų67.443%0.42835%0.345SS..Hα-helixtrans-115.5-26-168.1-58.9-73.8000113.8H56 Y138H56-N142 PolarHBondContact O-ND2 3.47Å; H56-N142 VanDerWaalsContact O-ND2 3.16Å; Y138-N142 HydrophobicContact CD1-CB 4.15Å; Y138-N142 HydrophobicContact CE1-CB 3.81Å; Y138-N142 WeakPolarHBondContact O-CB 3.26Å; Y138-N142 PolarHBondContact O-N 3.15Å; Y138-N142 PolarHBondContact O-ND2 3.02Å; Y138-N142 VanDerWaalsContact O-ND2 3.14Å
143D97.4Very high97.9Very high19 Ų1961.1 Ų61.110%0.10232%0.321CS..SBendtrans-125.924.6-168.8-63.2-33.1000113.4Y138 A139 G145 A146 L148 T151Y138-D143 WeakPolarHBondContact CE1-OD2 3.29Å; A139-D143 CarbonylContact O-C 3.21Å; A139-D143 VanDerWaalsContact O-CA 3.31Å; A139-D143 WeakPolarHBondContact O-CA 3.49Å; A139-D143 PolarHBondContact O-N 3.25Å; D143-G145 PolarHBondContact O-N 3.11Å; D143-G145 VanDerWaalsContact O-N 3.12Å; D143-A146 WeakPolarHBondContact CB-O 3.41Å; D143-A146 WeakPolarHBondContact O-CB 3.39Å; D143-A146 PolarHBondContact O-N 2.97Å; D143-L148 HydrophobicContact CB-CD1 3.88Å; D143-L148 HydrophobicContact CB-CG 4.13Å; D143-T151 WeakPolarHBondContact OD2-CB 3.36Å; D143-T151 PolarHBondContact OD2-OG1 3.38Å
144N97.4Very high97.9Very high168 Ų16854.2 Ų54.290%0.89829%0.294SS*.THydrogen-bonded Turntrans5333.2-178.3-60.4-41.6000113.9A139 A146A139-N144 PolarHBondContact O-N 2.94Å; N144-A146 VanDerWaalsContact C-N 3.32Å; N144-A146 PolarHBondContact O-N 3.35Å
145G97.2Very high97.9Very high45 Ų4549.4 Ų49.446%0.46427%0.273SS..THydrogen-bonded Turntrans81.90.5-178.700000115.1A139 D143A139-G145 WeakPolarHBondContact O-CA 3.36Å; A139-G145 PolarHBondContact O-N 2.86Å; D143-G145 PolarHBondContact O-N 3.11Å; D143-G145 VanDerWaalsContact O-N 3.12Å
146A97.8Very high97.9Very high42 Ų4249.3 Ų49.335%0.34727%0.273SS..  trans-88.9142.2-178.900000112.6A139 D143 N144 L148A139-A146 WeakPolarHBondContact CB-O 3.38Å; D143-A146 WeakPolarHBondContact CB-O 3.41Å; D143-A146 WeakPolarHBondContact O-CB 3.39Å; D143-A146 PolarHBondContact O-N 2.97Å; N144-A146 VanDerWaalsContact C-N 3.32Å; N144-A146 PolarHBondContact O-N 3.35Å; A146-L148 HydrophobicContact CB-CD2 3.83Å; A146-L148 HydrophobicContact CB-CG 4.23Å; A146-L148 PolarHBondContact O-N 2.9Å
147L98.3Very high97.9Very high43 Ų4347 Ų4723%0.22526%0.261CS..  trans-86.198.1170.6-61.4-179000109.2I135 A139 W238I135-L147 HydrophobicContact CG2-CD2 3.68Å; A139-L147 HydrophobicContact CB-CD2 3.94Å; L147-W238 HydrophobicContact CB-CD2 3.73Å; L147-W238 HydrophobicContact CB-CE3 4.16Å; L147-W238 HydrophobicContact CB-CG 4.06Å; L147-W238 HydrophobicContact CB-CH2 4.49Å; L147-W238 HydrophobicContact CB-CZ2 4.09Å; L147-W238 HydrophobicContact CD1-CD2 4.33Å; L147-W238 HydrophobicContact CD1-CE3 3.89Å; L147-W238 HydrophobicContact CD1-CH2 4.07Å; L147-W238 HydrophobicContact CD1-CZ2 4.49Å; L147-W238 HydrophobicContact CD1-CZ3 3.75Å; L147-W238 HydrophobicContact CD2-CH2 4.27Å; L147-W238 HydrophobicContact CD2-CZ2 4.22Å; L147-W238 HydrophobicContact CG-CZ2 4.5Å
148L98.3Very high97.9Very high66 Ų6644.4 Ų44.435%0.34625%0.249SC..  trans-95.7145.4-176.4-53.6179.7000112.2D143 A146 N150 T151 G153 W238D143-L148 HydrophobicContact CB-CD1 3.88Å; D143-L148 HydrophobicContact CB-CG 4.13Å; A146-L148 HydrophobicContact CB-CD2 3.83Å; A146-L148 HydrophobicContact CB-CG 4.23Å; A146-L148 PolarHBondContact O-N 2.9Å; L148-N150 PolarHBondContact O-N 3.45Å; L148-T151 WeakPolarHBondContact CB-OG1 3.4Å; L148-T151 PolarHBondContact O-N 3.34Å; L148-T151 PolarHBondContact O-OG1 3.47Å; L148-G153 PolarHBondContact O-N 3.1Å; L148-W238 PolarHBondContact O-NE1 2.99Å
149L97.9Very high97.9Very high13 Ų1344.2 Ų44.27%0.06825%0.25CS..THydrogen-bonded Turntrans-64.5-41-176.6-172.973.1000112.1T151 G153 G154 V157 N159 I233 K241L149-T151 VanDerWaalsContact C-N 3.32Å; L149-T151 PolarHBondContact O-N 2.96Å; L149-G153 CarbonylContact O-C 3.38Å; L149-G153 WeakPolarHBondContact O-CA 3.41Å; L149-G154 PolarHBondContact O-N 3.04Å; L149-V157 HydrophobicContact CD1-CG2 3.62Å; L149-V157 HydrophobicContact CG-CG2 4.49Å; L149-N159 VanDerWaalsContact CD2-OD1 3.25Å; L149-N159 WeakPolarHBondContact CD2-OD1 3.39Å; L149-N159 VanDerWaalsContact CG-OD1 3.27Å; L149-N159 WeakPolarHBondContact CG-OD1 3.29Å; L149-N159 PolarHBondContact O-ND2 2.68Å; L149-I233 HydrophobicContact CD1-CD1 3.55Å; L149-K241 WeakPolarHBondContact CD2-O 3.22Å
150N96.2Very high97.9Very high120 Ų12045.8 Ų45.864%0.64226%0.26SS*.THydrogen-bonded Turntrans-83.8-1.3-174.763.5-43.1000114.1L148L148-N150 PolarHBondContact O-N 3.45Å
151T97Very high97.8Very high24 Ų2443.1 Ų43.115%0.14726%0.26CS..THydrogen-bonded Turntrans-116.9-97.517559.20000109.4Y138 D143 L148 L149 G153 G154Y138-T151 HydrophobicContact CE1-CG2 4.43Å; D143-T151 WeakPolarHBondContact OD2-CB 3.36Å; D143-T151 PolarHBondContact OD2-OG1 3.38Å; L148-T151 WeakPolarHBondContact CB-OG1 3.4Å; L148-T151 PolarHBondContact O-N 3.34Å; L148-T151 PolarHBondContact O-OG1 3.47Å; L149-T151 VanDerWaalsContact C-N 3.32Å; L149-T151 PolarHBondContact O-N 2.96Å; T151-G153 PolarHBondContact O-N 2.99Å; T151-G154 PolarHBondContact O-N 2.93Å
152T98.2Very high97.8Very high0 Ų039.7 Ų39.70%025%0.248CC..G310 helixtrans-63.8-27.3-179.552.90000112.8I135 Y138 G154 I155 W238I135-T152 HydrophobicContact CG2-CG2 4.2Å; Y138-T152 HydrophobicContact CD1-CG2 3.37Å; Y138-T152 HydrophobicContact CE1-CG2 3.97Å; Y138-T152 HydrophobicContact CG-CG2 3.93Å; T152-G154 PolarHBondContact O-N 2.89Å; T152-I155 WeakPolarHBondContact O-CB 3.39Å; T152-I155 WeakPolarHBondContact O-CG1 3.39Å; T152-I155 PolarHBondContact O-N 3.4Å; T152-W238 VanDerWaalsContact OG1-CZ2 3.25Å; T152-W238 WeakPolarHBondContact OG1-CZ2 3.32Å; T152-W238 PolarHBondContact OG1-NE1 3.5Å
153G98.3Very high97.9Very high0 Ų039 Ų390%025%0.249CC..G310 helixtrans-63.6-27.9172.700000113L148 L149 T151 I155 F156 V157 W238L148-G153 PolarHBondContact O-N 3.1Å; L149-G153 CarbonylContact O-C 3.38Å; L149-G153 WeakPolarHBondContact O-CA 3.41Å; T151-G153 PolarHBondContact O-N 2.99Å; G153-I155 PolarHBondContact O-N 3.19Å; G153-I155 VanDerWaalsContact O-N 3.13Å; G153-F156 PolarHBondContact O-N 2.94Å; G153-V157 WeakPolarHBondContact O-CG2 3.41Å; G153-V157 PolarHBondContact O-N 2.75Å; G153-W238 VanDerWaalsContact N-NE1 3.19Å
154G97.9Very high97.9Very high18 Ų1840.9 Ų40.919%0.18626%0.257CS..G310 helixtrans-63.7-13.2176.800000114.6L149 T151 T152 F156L149-G154 PolarHBondContact O-N 3.04Å; T151-G154 PolarHBondContact O-N 2.93Å; T152-G154 PolarHBondContact O-N 2.89Å; G154-F156 VanDerWaalsContact C-N 3.26Å
155I98.6Very high98Very high0 Ų038.6 Ų38.60%024%0.244CC..G310 helixtrans-67.2-31.7170.6-62.3168.4000111.1S45 L48 A49 I52 L53 I135 T152 G153S45-I155 WeakPolarHBondContact CB-O 3.23Å; S45-I155 PolarHBondContact OG-O 2.9Å; L48-I155 HydrophobicContact CB-CG2 4.42Å; L48-I155 WeakPolarHBondContact CD1-O 3.47Å; A49-I155 HydrophobicContact CB-CG2 3.92Å; I52-I155 HydrophobicContact CB-CG1 4.18Å; I52-I155 HydrophobicContact CD1-CG1 3.74Å; I52-I155 HydrophobicContact CG2-CD1 4.45Å; I52-I155 HydrophobicContact CG2-CG1 4.26Å; L53-I155 HydrophobicContact CD1-CD1 3.84Å; L53-I155 HydrophobicContact CD2-CD1 3.96Å; L53-I155 HydrophobicContact CG-CD1 3.87Å; I135-I155 HydrophobicContact CD1-CD1 4.37Å; I135-I155 HydrophobicContact CG1-CD1 4.09Å; T152-I155 WeakPolarHBondContact O-CB 3.39Å; T152-I155 WeakPolarHBondContact O-CG1 3.39Å; T152-I155 PolarHBondContact O-N 3.4Å; G153-I155 PolarHBondContact O-N 3.19Å; G153-I155 VanDerWaalsContact O-N 3.13Å
156F98.8Very high98.1Very high0 Ų039.2 Ų39.20%024%0.239CC..THydrogen-bonded Turntrans-111.7-41.3-167.5-58.7-67.4000112.2S124 V127 F128 I135 G153 G154 R225 P229 M232 I233 W238S124-F156 WeakPolarHBondContact O-CE1 3.08Å; V127-F156 HydrophobicContact CB-CE1 4.16Å; V127-F156 HydrophobicContact CG1-CE1 4.09Å; F128-F156 HydrophobicContact CB-CE1 4.14Å; F128-F156 HydrophobicContact CB-CZ 3.8Å; F128-F156 HydrophobicContact CD2-CE2 4.46Å; F128-F156 HydrophobicContact CD2-CZ 4.28Å; I135-F156 HydrophobicContact CD1-CE2 3.96Å; I135-F156 HydrophobicContact CD1-CZ 3.88Å; G153-F156 PolarHBondContact O-N 2.94Å; G154-F156 VanDerWaalsContact C-N 3.26Å; F156-R225 PolarHBondContact O-NH1 2.91Å; F156-P229 HydrophobicContact CB-CB 3.91Å; F156-P229 WeakPolarHBondContact O-CB 3.45Å; F156-M232 HydrophobicContact CB-CE 4.26Å; F156-M232 HydrophobicContact CD1-CE 3.51Å; F156-M232 HydrophobicContact CD2-CE 3.96Å; F156-M232 HydrophobicContact CE1-CE 3.74Å; F156-M232 HydrophobicContact CE2-CE 4.17Å; F156-M232 HydrophobicContact CG-CE 3.62Å; F156-M232 HydrophobicContact CZ-CE 4.07Å; F156-I233 HydrophobicContact CB-CG2 3.93Å; F156-I233 HydrophobicContact CD2-CG2 3.72Å; F156-I233 HydrophobicContact CG-CG2 4.01Å; F156-W238 HydrophobicContact CD2-CH2 4.42Å; F156-W238 HydrophobicContact CE2-CH2 4.01Å; F156-W238 HydrophobicContact CE2-CZ2 4.46Å
157V98.6Very high98.1Very high3 Ų337.2 Ų37.22%0.01822%0.222CC..SBendtrans-125.8159.6-173.7-57.50000112.1L149 G153 P229 R230 I233L149-V157 HydrophobicContact CD1-CG2 3.62Å; L149-V157 HydrophobicContact CG-CG2 4.49Å; G153-V157 WeakPolarHBondContact O-CG2 3.41Å; G153-V157 PolarHBondContact O-N 2.75Å; V157-P229 HydrophobicContact CG1-CB 4.19Å; V157-R230 HydrophobicContact CG1-CB 3.7Å; V157-R230 HydrophobicContact CG1-CG 4.28Å; V157-I233 HydrophobicContact CG1-CD1 3.89Å; V157-I233 HydrophobicContact CG1-CG1 4.44Å; V157-I233 HydrophobicContact CG2-CD1 3.75Å
158T98.2Very high98.1Very high4 Ų437.3 Ų37.33%0.02522%0.221CC..  trans-81.5150.5174.258.30000112.4A217 A220 D226 R230 P253T158-A217 VanDerWaalsContact CB-O 3.25Å; T158-A217 WeakPolarHBondContact CB-O 3.29Å; T158-A217 WeakPolarHBondContact CG2-O 3.44Å; T158-A220 HydrophobicContact CG2-CB 3.65Å; T158-D226 PolarHBondContact N-OD1 2.85Å; T158-D226 PolarHBondContact OG1-OD1 3.37Å; T158-R230 PolarHBondContact O-NH2 3.49Å; T158-P253 WeakPolarHBondContact OG1-CB 3.25Å
159N97.6Very high98.2Very high26 Ų2639 Ų3914%0.13923%0.23CC..  trans-134.1153.6177.8-75.3-69.7000110.1L149L149-N159 VanDerWaalsContact CD2-OD1 3.25Å; L149-N159 WeakPolarHBondContact CD2-OD1 3.39Å; L149-N159 VanDerWaalsContact CG-OD1 3.27Å; L149-N159 WeakPolarHBondContact CG-OD1 3.29Å; L149-N159 PolarHBondContact O-ND2 2.68Å
160P98Very high98.2Very high34 Ų3439 Ų3922%0.22123%0.23CC..  trans-79.5139.2177.329.6-29.2000111.9A246 F249P160-A246 HydrophobicContact CG-CB 3.5Å; P160-F249 HydrophobicContact CB-CD2 3.65Å; P160-F249 HydrophobicContact CB-CE2 3.63Å; P160-F249 HydrophobicContact CB-CG 4.34Å; P160-F249 HydrophobicContact CB-CZ 4.28Å; P160-F249 HydrophobicContact CG-CB 4.24Å; P160-F249 HydrophobicContact CG-CD2 3.64Å; P160-F249 HydrophobicContact CG-CE2 4.09Å; P160-F249 HydrophobicContact CG-CG 3.88Å
161S97.4Very high98.3Very high93 Ų9333.2 Ų33.265%0.6520%0.199SC*.SBendtrans-115.67.2165.2-48.40000112L215 N216S161-L215 WeakPolarHBondContact CB-O 3.45Å; S161-L215 PolarHBondContact OG-O 3.3Å; S161-N216 PolarHBondContact N-O 3.22Å
162A98.1Very high98.4Very high36 Ų3633.1 Ų33.130%0.29820%0.198SC..SBendtrans-144.5-176.6-179.300000110.3T166 N216A162-T166 HydrophobicContact CB-CG2 3.93Å; A162-N216 HydrophobicContact CB-CB 4.2Å
163S98.4Very high98.4Very high65 Ų6537.5 Ų37.546%0.45522%0.22SC..  trans-60.4150.2173.583.80000111.1L165 T166 C167S163-L165 PolarHBondContact O-N 3.25Å; S163-T166 WeakPolarHBondContact O-CB 3.42Å; S163-T166 PolarHBondContact O-N 3.15Å; S163-T166 WeakPolarHBondContact OG-CB 3.42Å; S163-T166 PolarHBondContact OG-N 3.22Å; S163-T166 VanDerWaalsContact OG-N 3.11Å; S163-T166 PolarHBondContact OG-OG1 2.78Å; S163-C167 PolarHBondContact O-N 3.46Å; S163-C167 PolarHBondContact O-SG 2.72Å
164H98.6Very high98.4Very high59 Ų5937.5 Ų37.527%0.27322%0.22SC..Hα-helixtrans-57-36.2177.1-78.6-163.2000112.9C167 F168 A246 N247 I252H164-C167 PolarHBondContact O-N 2.98Å; H164-F168 VanDerWaalsContact O-CB 3.27Å; H164-F168 WeakPolarHBondContact O-CB 3.31Å; H164-F168 PolarHBondContact O-N 3.25Å; H164-A246 PolarHBondContact CE1-O 3.48Å; H164-A246 VanDerWaalsContact CE1-O 3.26Å; H164-A246 PolarHBondContact NE2-O 3.49Å; H164-N247 PolarHBondContact CE1-O 2.97Å; H164-I252 HydrophobicContact CB-CD1 3.78Å; H164-I252 WeakPolarHBondContact O-CD1 3.22Å
165L98.6Very high98.5Very high119 Ų11936.7 Ų36.762%0.62321%0.211SC*.Hα-helixtrans-62.7-47.1174.8178.661000111.1S163 F168 L169S163-L165 PolarHBondContact O-N 3.25Å; L165-F168 PolarHBondContact O-N 2.86Å; L165-L169 HydrophobicContact CD1-CD1 4.38Å; L165-L169 HydrophobicContact CD1-CG 4.39Å; L165-L169 HydrophobicContact CG-CD1 4.32Å; L165-L169 WeakPolarHBondContact O-CG 3.26Å; L165-L169 PolarHBondContact O-N 3.25Å
166T98.7Very high98.5Very high58 Ų5837.1 Ų37.136%0.35622%0.215SC..Hα-helixtrans-61.2-47.1176.5-53.40000111.2A162 S163 F168 L169 D170A162-T166 HydrophobicContact CB-CG2 3.93Å; S163-T166 WeakPolarHBondContact O-CB 3.42Å; S163-T166 PolarHBondContact O-N 3.15Å; S163-T166 WeakPolarHBondContact OG-CB 3.42Å; S163-T166 PolarHBondContact OG-N 3.22Å; S163-T166 VanDerWaalsContact OG-N 3.11Å; S163-T166 PolarHBondContact OG-OG1 2.78Å; T166-F168 VanDerWaalsContact C-N 3.29Å; T166-F168 PolarHBondContact O-N 3.18Å; T166-L169 PolarHBondContact O-N 3.33Å; T166-D170 VanDerWaalsContact O-CB 3.22Å; T166-D170 WeakPolarHBondContact O-CB 3.49Å; T166-D170 PolarHBondContact O-N 2.89Å
167C98.7Very high98.5Very high0 Ų040.1 Ų40.10%023%0.231CC..Hα-helixtrans-61.1-38.4177.1-62.70000112.3S163 H164 D170 Q171 N216 A217 F249 I252S163-C167 PolarHBondContact O-N 3.46Å; S163-C167 PolarHBondContact O-SG 2.72Å; H164-C167 PolarHBondContact O-N 2.98Å; C167-D170 WeakPolarHBondContact O-CB 3.28Å; C167-Q171 WeakPolarHBondContact O-CG 3.35Å; C167-Q171 PolarHBondContact O-N 2.74Å; C167-N216 PolarHBondContact SG-O 3.29Å; C167-A217 HydrophobicContact CB-CB 3.75Å; C167-F249 HydrophobicContact CB-CE2 3.67Å; C167-F249 HydrophobicContact CB-CZ 4.3Å; C167-I252 HydrophobicContact CB-CD1 4.39Å; C167-I252 HydrophobicContact CB-CG2 4.31Å
168F98.7Very high98.5Very high46 Ų4640.8 Ų40.820%0.20223%0.234CC..Hα-helixtrans-65.4-48.7176.8176.6-97.6000111.8H164 L165 T166 D170 Q171 V172 W251 I252 V255 I259H164-F168 VanDerWaalsContact O-CB 3.27Å; H164-F168 WeakPolarHBondContact O-CB 3.31Å; H164-F168 PolarHBondContact O-N 3.25Å; L165-F168 PolarHBondContact O-N 2.86Å; T166-F168 VanDerWaalsContact C-N 3.29Å; T166-F168 PolarHBondContact O-N 3.18Å; F168-D170 VanDerWaalsContact C-N 3.29Å; F168-D170 PolarHBondContact O-N 3.17Å; F168-Q171 PolarHBondContact O-N 2.84Å; F168-V172 HydrophobicContact CD1-CG2 4.34Å; F168-V172 HydrophobicContact CE1-CG2 3.95Å; F168-V172 HydrophobicContact CE2-CG2 4.3Å; F168-V172 HydrophobicContact CZ-CG2 3.93Å; F168-V172 WeakPolarHBondContact O-CG2 3.34Å; F168-V172 PolarHBondContact O-N 3.37Å; F168-W251 AromaticContact CD2-CH2 3.96Å; F168-W251 HydrophobicContact CD2-CH2 3.96Å; F168-W251 AromaticContact CD2-CZ3 3.72Å; F168-W251 HydrophobicContact CD2-CZ3 3.72Å; F168-W251 HydrophobicContact CE2-CH2 4.46Å; F168-W251 AromaticContact CE2-CZ3 3.93Å; F168-W251 HydrophobicContact CE2-CZ3 3.93Å; F168-I252 HydrophobicContact CB-CG2 4.35Å; F168-V255 HydrophobicContact CE2-CG1 4.3Å; F168-I259 HydrophobicContact CE2-CD1 4.11Å; F168-I259 HydrophobicContact CZ-CD1 3.68Å
169L98.7Very high98.5Very high102 Ų10240.6 Ų40.653%0.53423%0.233SC..Hα-helixtrans-60.4-40.2176.2-68.1175.1000112L165 T166 V172 M173L165-L169 HydrophobicContact CD1-CD1 4.38Å; L165-L169 HydrophobicContact CD1-CG 4.39Å; L165-L169 HydrophobicContact CG-CD1 4.32Å; L165-L169 WeakPolarHBondContact O-CG 3.26Å; L165-L169 PolarHBondContact O-N 3.25Å; T166-L169 PolarHBondContact O-N 3.33Å; L169-V172 PolarHBondContact O-N 3.03Å; L169-M173 WeakPolarHBondContact O-CB 3.34Å; L169-M173 PolarHBondContact O-N 3.27Å
170D98.6Very high98.6Very high11 Ų1140.6 Ų40.66%0.05924%0.236CC..Hα-helixtrans-58.6-48.7174.3179.2-81.7000111.8T166 C167 F168 V172 M173 G174 F213 N216T166-D170 VanDerWaalsContact O-CB 3.22Å; T166-D170 WeakPolarHBondContact O-CB 3.49Å; T166-D170 PolarHBondContact O-N 2.89Å; C167-D170 WeakPolarHBondContact O-CB 3.28Å; F168-D170 VanDerWaalsContact C-N 3.29Å; F168-D170 PolarHBondContact O-N 3.17Å; D170-V172 PolarHBondContact O-N 3.48Å; D170-M173 PolarHBondContact O-N 3.25Å; D170-G174 PolarHBondContact O-N 2.95Å; D170-F213 VanDerWaalsContact OD2-O 3.09Å; D170-N216 HydrophobicContact CB-CB 4.27Å; D170-N216 PolarHBondContact OD2-ND2 3.49Å
171Q98.7Very high98.6Very high0 Ų039.8 Ų39.80%023%0.234CC..Hα-helixtrans-66.6-36.2177.6-69.7-50.5-70.700113.3C167 F168 T175 A217 A220 I252C167-Q171 WeakPolarHBondContact O-CG 3.35Å; C167-Q171 PolarHBondContact O-N 2.74Å; F168-Q171 PolarHBondContact O-N 2.84Å; Q171-T175 VanDerWaalsContact O-CB 3.29Å; Q171-T175 WeakPolarHBondContact O-CB 3.1Å; Q171-T175 PolarHBondContact O-N 3.33Å; Q171-T175 VanDerWaalsContact O-N 3.15Å; Q171-T175 PolarHBondContact O-OG1 3.23Å; Q171-A217 HydrophobicContact CG-CB 4.12Å; Q171-A220 VanDerWaalsContact OE1-CB 3.28Å; Q171-I252 HydrophobicContact CB-CG2 4.49Å; Q171-I252 HydrophobicContact CG-CG2 4.01Å
172V98.8Very high98.6Very high21 Ų2135.8 Ų35.813%0.12721%0.207CC..Hα-helixtrans-64-51173.5171.10000110.3F168 L169 D170 T175 A176 I259 G260 I263F168-V172 HydrophobicContact CD1-CG2 4.34Å; F168-V172 HydrophobicContact CE1-CG2 3.95Å; F168-V172 HydrophobicContact CE2-CG2 4.3Å; F168-V172 HydrophobicContact CZ-CG2 3.93Å; F168-V172 WeakPolarHBondContact O-CG2 3.34Å; F168-V172 PolarHBondContact O-N 3.37Å; L169-V172 PolarHBondContact O-N 3.03Å; D170-V172 PolarHBondContact O-N 3.48Å; V172-T175 PolarHBondContact O-N 3.44Å; V172-A176 WeakPolarHBondContact O-CB 3.37Å; V172-A176 PolarHBondContact O-N 3.03Å; V172-I259 HydrophobicContact CG1-CG2 4.23Å; V172-I259 HydrophobicContact CG2-CB 4.24Å; V172-I259 HydrophobicContact CG2-CG2 4.12Å; V172-G260 WeakPolarHBondContact O-CA 3.36Å; V172-I263 HydrophobicContact CG1-CD1 4.15Å
173M98.7Very high98.6Very high93 Ų9334.4 Ų34.446%0.45819%0.194SC..Hα-helixtrans-64.4-49.7-177.6-173.367.8-122.400112L169 D170 T175 A176 L177L169-M173 WeakPolarHBondContact O-CB 3.34Å; L169-M173 PolarHBondContact O-N 3.27Å; D170-M173 PolarHBondContact O-N 3.25Å; M173-T175 VanDerWaalsContact C-N 3.29Å; M173-T175 PolarHBondContact O-N 3.02Å; M173-A176 PolarHBondContact O-N 3.2Å; M173-L177 HydrophobicContact CE-CD1 3.9Å; M173-L177 HydrophobicContact CE-CD2 3.65Å; M173-L177 HydrophobicContact CE-CG 3.49Å; M173-L177 VanDerWaalsContact CE-CG 3.49Å; M173-L177 WeakPolarHBondContact O-CG 3.22Å; M173-L177 PolarHBondContact O-N 3.27Å
174G98.7Very high98.6Very high0 Ų032.9 Ų32.90%019%0.185CC..Hα-helixtrans-59.8-40.3179.600000112.2D170 L177 L178 L221D170-G174 PolarHBondContact O-N 2.95Å; G174-L177 PolarHBondContact O-N 3.43Å; G174-L178 WeakPolarHBondContact O-CB 3.24Å; G174-L178 PolarHBondContact O-N 3.26Å; G174-L221 VanDerWaalsContact C-CD2 3.42Å
175T98.9Very high98.5Very high0 Ų031.2 Ų31.20%018%0.178CC..Hα-helixtrans-77.5-29-179.7-43.90000112.7A93 Q171 V172 M173 L178 T179 L221 P257 A261A93-T175 HydrophobicContact CB-CG2 4.4Å; Q171-T175 VanDerWaalsContact O-CB 3.29Å; Q171-T175 WeakPolarHBondContact O-CB 3.1Å; Q171-T175 PolarHBondContact O-N 3.33Å; Q171-T175 VanDerWaalsContact O-N 3.15Å; Q171-T175 PolarHBondContact O-OG1 3.23Å; V172-T175 PolarHBondContact O-N 3.44Å; M173-T175 VanDerWaalsContact C-N 3.29Å; M173-T175 PolarHBondContact O-N 3.02Å; T175-L178 PolarHBondContact O-N 3.49Å; T175-T179 PolarHBondContact O-N 2.92Å; T175-T179 PolarHBondContact O-OG1 3.49Å; T175-T179 VanDerWaalsContact O-OG1 3.11Å; T175-L221 WeakPolarHBondContact CG2-O 3.41Å; T175-L221 WeakPolarHBondContact OG1-CA 3.34Å; T175-P257 HydrophobicContact CG2-CB 3.95Å; T175-P257 VanDerWaalsContact CG2-O 3.26Å; T175-P257 WeakPolarHBondContact CG2-O 3.42Å; T175-P257 WeakPolarHBondContact OG1-CA 3.29Å; T175-A261 HydrophobicContact CG2-CB 3.89Å
176A98.9Very high98.3Very high9 Ų928 Ų287%0.07416%0.164CC..Hα-helixtrans-62.3-46.8169.800000111.1V172 M173 L178 T179 A180 G260 I263 G264V172-A176 WeakPolarHBondContact O-CB 3.37Å; V172-A176 PolarHBondContact O-N 3.03Å; M173-A176 PolarHBondContact O-N 3.2Å; A176-L178 VanDerWaalsContact C-N 3.34Å; A176-L178 PolarHBondContact O-N 2.93Å; A176-T179 PolarHBondContact O-N 3.11Å; A176-A180 VanDerWaalsContact O-CB 3.26Å; A176-A180 WeakPolarHBondContact O-CB 3.23Å; A176-A180 PolarHBondContact O-N 3.12Å; A176-G260 WeakPolarHBondContact CA-O 3.33Å; A176-G260 VanDerWaalsContact CB-O 3.3Å; A176-G260 WeakPolarHBondContact CB-O 3.4Å; A176-G260 PolarHBondContact N-O 3.46Å; A176-I263 HydrophobicContact CB-CG2 4.47Å; A176-G264 WeakPolarHBondContact O-CA 3.4Å
177L98.8Very high98.2Very high63 Ų6325.6 Ų25.633%0.3315%0.149SC..Hα-helixtrans-61.3-42.1173.8-67.3173.5000111.9M173 G174 T179 G181 I209 F213M173-L177 HydrophobicContact CE-CD1 3.9Å; M173-L177 HydrophobicContact CE-CD2 3.65Å; M173-L177 HydrophobicContact CE-CG 3.49Å; M173-L177 VanDerWaalsContact CE-CG 3.49Å; M173-L177 WeakPolarHBondContact O-CG 3.22Å; M173-L177 PolarHBondContact O-N 3.27Å; G174-L177 PolarHBondContact O-N 3.43Å; L177-T179 PolarHBondContact O-N 3.08Å; L177-G181 WeakPolarHBondContact O-CA 3.41Å; L177-G181 PolarHBondContact O-N 2.95Å; L177-I209 HydrophobicContact CB-CD1 4.08Å; L177-I209 HydrophobicContact CB-CG1 4.35Å; L177-F213 HydrophobicContact CD1-CD2 4.33Å; L177-F213 HydrophobicContact CD1-CE2 3.51Å; L177-F213 HydrophobicContact CD1-CZ 3.9Å
178L98.9Very high97.9Very high17 Ų1730.1 Ų30.19%0.08918%0.178CC..Hα-helixtrans-57.7-48.4177177.161.6000111.3V94 G174 T175 A176 A182 L205 V206 I209 L221V94-L178 HydrophobicContact CG2-CD2 4.36Å; G174-L178 WeakPolarHBondContact O-CB 3.24Å; G174-L178 PolarHBondContact O-N 3.26Å; T175-L178 PolarHBondContact O-N 3.49Å; A176-L178 VanDerWaalsContact C-N 3.34Å; A176-L178 PolarHBondContact O-N 2.93Å; L178-A182 WeakPolarHBondContact O-CB 3.4Å; L178-A182 PolarHBondContact O-N 3.35Å; L178-L205 HydrophobicContact CD1-CD2 4.04Å; L178-L205 HydrophobicContact CD1-CG 4.34Å; L178-L205 WeakPolarHBondContact O-CD2 3.5Å; L178-V206 HydrophobicContact CD1-CG2 3.73Å; L178-I209 HydrophobicContact CB-CD1 3.79Å; L178-I209 HydrophobicContact CD1-CD1 4.3Å; L178-L221 HydrophobicContact CD2-CB 3.93Å
179T98.8Very high97.6Very high0 Ų030.4 Ų30.40%018%0.182CC..Hα-helixtrans-76.6-41.7-174.8-54.30000111.9A97 T175 A176 L177 G181 A182 F183 A261A97-T179 HydrophobicContact CB-CG2 3.64Å; T175-T179 PolarHBondContact O-N 2.92Å; T175-T179 PolarHBondContact O-OG1 3.49Å; T175-T179 VanDerWaalsContact O-OG1 3.11Å; A176-T179 PolarHBondContact O-N 3.11Å; L177-T179 PolarHBondContact O-N 3.08Å; T179-G181 PolarHBondContact O-N 3.2Å; T179-A182 PolarHBondContact O-N 3.21Å; T179-F183 HydrophobicContact CG2-CD1 4.44Å; T179-F183 HydrophobicContact CG2-CD2 4.38Å; T179-F183 HydrophobicContact CG2-CE1 4.01Å; T179-F183 HydrophobicContact CG2-CE2 3.95Å; T179-F183 HydrophobicContact CG2-CZ 3.74Å; T179-F183 WeakPolarHBondContact O-CG 3.38Å; T179-F183 PolarHBondContact O-N 3.45Å; T179-A261 HydrophobicContact CG2-CB 4.5Å; T179-A261 WeakPolarHBondContact CG2-O 3.32Å; T179-A261 VanDerWaalsContact OG1-CA 3.25Å; T179-A261 WeakPolarHBondContact OG1-CA 3.49Å; T179-A261 VanDerWaalsContact OG1-CB 3.28Å; T179-A261 WeakPolarHBondContact OG1-CB 3.41Å
180A98.7Very high97.4Very high26 Ų2626.7 Ų26.722%0.21517%0.168CC..Hα-helixtrans-60.9-45.7174.800000111.3A176 F183 A184 G264A176-A180 VanDerWaalsContact O-CB 3.26Å; A176-A180 WeakPolarHBondContact O-CB 3.23Å; A176-A180 PolarHBondContact O-N 3.12Å; A180-F183 PolarHBondContact O-N 2.92Å; A180-A184 WeakPolarHBondContact O-CB 3.33Å; A180-A184 PolarHBondContact O-N 2.99Å; A180-G264 WeakPolarHBondContact CB-O 3.43Å
181G98.6Very high97Very high17 Ų1737 Ų3718%0.17521%0.207CC..Hα-helixtrans-64.4-43.3176.300000112.4L177 T179 F183 A184 I185L177-G181 WeakPolarHBondContact O-CA 3.41Å; L177-G181 PolarHBondContact O-N 2.95Å; T179-G181 PolarHBondContact O-N 3.2Å; G181-F183 VanDerWaalsContact C-N 3.32Å; G181-F183 PolarHBondContact O-N 2.97Å; G181-A184 PolarHBondContact O-N 3.48Å; G181-I185 WeakPolarHBondContact O-CB 3.37Å; G181-I185 WeakPolarHBondContact O-CD1 3.32Å; G181-I185 VanDerWaalsContact O-CG1 3.23Å; G181-I185 WeakPolarHBondContact O-CG1 3.36Å; G181-I185 PolarHBondContact O-N 3.48Å
182A98.2Very high96.7Very high10 Ų1044.7 Ų44.78%0.08324%0.24CC..Hα-helixtrans-61.1-41.917700000111.6L178 T179 I185 T186 L202 L205L178-A182 WeakPolarHBondContact O-CB 3.4Å; L178-A182 PolarHBondContact O-N 3.35Å; T179-A182 PolarHBondContact O-N 3.21Å; A182-I185 PolarHBondContact O-N 2.87Å; A182-T186 WeakPolarHBondContact O-CB 3.17Å; A182-T186 WeakPolarHBondContact O-CG2 3.36Å; A182-T186 PolarHBondContact O-N 3.49Å; A182-T186 PolarHBondContact O-OG1 3.25Å; A182-L202 HydrophobicContact CB-CD2 3.68Å; A182-L205 HydrophobicContact CB-CD2 4.4Å
183F97.7Very high96.4Very high7 Ų745.1 Ų45.13%0.03124%0.241CC..Hα-helixtrans-68.1-40.4176-70.8-0.4000111.7A97 A98 V101 K103 T179 A180 G181 I185 T186 D187 G265 Y268A97-F183 HydrophobicContact CB-CZ 4.33Å; A98-F183 HydrophobicContact CB-CE1 4.37Å; A98-F183 HydrophobicContact CB-CZ 4.21Å; V101-F183 HydrophobicContact CB-CE2 4.48Å; V101-F183 HydrophobicContact CG1-CE2 4.23Å; V101-F183 HydrophobicContact CG2-CD2 4.35Å; V101-F183 HydrophobicContact CG2-CE2 3.48Å; V101-F183 VanDerWaalsContact CG2-CE2 3.48Å; V101-F183 HydrophobicContact CG2-CZ 3.86Å; K103-F183 HydrophobicContact CD-CE1 4.44Å; K103-F183 HydrophobicContact CD-CZ 4.46Å; T179-F183 HydrophobicContact CG2-CD1 4.44Å; T179-F183 HydrophobicContact CG2-CD2 4.38Å; T179-F183 HydrophobicContact CG2-CE1 4.01Å; T179-F183 HydrophobicContact CG2-CE2 3.95Å; T179-F183 HydrophobicContact CG2-CZ 3.74Å; T179-F183 WeakPolarHBondContact O-CG 3.38Å; T179-F183 PolarHBondContact O-N 3.45Å; A180-F183 PolarHBondContact O-N 2.92Å; G181-F183 VanDerWaalsContact C-N 3.32Å; G181-F183 PolarHBondContact O-N 2.97Å; F183-I185 VanDerWaalsContact C-N 3.31Å; F183-I185 PolarHBondContact O-N 3.2Å; F183-T186 PolarHBondContact O-N 3.46Å; F183-D187 WeakPolarHBondContact O-CB 3.44Å; F183-D187 PolarHBondContact O-N 3.36Å; F183-G265 VanDerWaalsContact CE2-CA 3.46Å; F183-Y268 HydrophobicContact CB-CD1 3.45Å; F183-Y268 VanDerWaalsContact CB-CD1 3.45Å; F183-Y268 HydrophobicContact CB-CD2 4.44Å; F183-Y268 HydrophobicContact CB-CE1 3.78Å; F183-Y268 HydrophobicContact CB-CG 3.81Å; F183-Y268 HydrophobicContact CD2-CD1 4.1Å; F183-Y268 HydrophobicContact CG-CD1 4.3Å
184A97.6Very high96.2Very high32 Ų3243.3 Ų43.326%0.26424%0.237SC..Hα-helixtrans-61.7-37.117500000113.3A180 G181 Y268A180-A184 WeakPolarHBondContact O-CB 3.33Å; A180-A184 PolarHBondContact O-N 2.99Å; G181-A184 PolarHBondContact O-N 3.48Å; A184-Y268 HydrophobicContact CB-CD2 3.96Å; A184-Y268 HydrophobicContact CB-CE2 3.49Å; A184-Y268 VanDerWaalsContact CB-CE2 3.49Å
185I97.3Very high95.9Very high25 Ų2549.4 Ų49.413%0.12827%0.269CS..Hα-helixtrans-70.5-39.2177.7-71.8161.5000111.5G181 A182 F183 I193 H201 L202 L205G181-I185 WeakPolarHBondContact O-CB 3.37Å; G181-I185 WeakPolarHBondContact O-CD1 3.32Å; G181-I185 VanDerWaalsContact O-CG1 3.23Å; G181-I185 WeakPolarHBondContact O-CG1 3.36Å; G181-I185 PolarHBondContact O-N 3.48Å; A182-I185 PolarHBondContact O-N 2.87Å; F183-I185 VanDerWaalsContact C-N 3.31Å; F183-I185 PolarHBondContact O-N 3.2Å; I185-I193 HydrophobicContact CG2-CD1 4.36Å; I185-H201 HydrophobicContact CD1-CB 3.93Å; I185-H201 HydrophobicContact CG1-CB 4.04Å; I185-H201 HydrophobicContact CG2-CB 3.63Å; I185-L202 HydrophobicContact CD1-CD2 4.13Å; I185-L202 HydrophobicContact CG2-CG 4.42Å; I185-L205 HydrophobicContact CD1-CB 4.12Å; I185-L205 HydrophobicContact CD1-CD2 4.05Å
186T94.9Very high95.6Very high51 Ų5157.7 Ų57.731%0.31330%0.302SS..Hα-helixtrans-99.71.9-170.858.60000113.9A182 F183 P188 H198A182-T186 WeakPolarHBondContact O-CB 3.17Å; A182-T186 WeakPolarHBondContact O-CG2 3.36Å; A182-T186 PolarHBondContact O-N 3.49Å; A182-T186 PolarHBondContact O-OG1 3.25Å; F183-T186 PolarHBondContact O-N 3.46Å; T186-P188 VanDerWaalsContact O-CD 3.29Å; T186-P188 WeakPolarHBondContact O-CD 3.27Å; T186-H198 HydrophobicContact CG2-CB 4.42Å
187D94.6Very high95.5Very high7 Ų760 Ų604%0.03731%0.313CS..  trans-74.9114.8176.1-162.4-44.1000110.6F183 N189 G190 Y268 L276F183-D187 WeakPolarHBondContact O-CB 3.44Å; F183-D187 PolarHBondContact O-N 3.36Å; D187-N189 PolarHBondContact O-N 3.23Å; D187-N189 VanDerWaalsContact O-N 3.14Å; D187-N189 WeakPolarHBondContact OD1-CB 3.31Å; D187-N189 PolarHBondContact OD1-N 2.97Å; D187-N189 PolarHBondContact OD1-ND2 3.45Å; D187-G190 PolarHBondContact O-N 2.89Å; D187-G190 VanDerWaalsContact O-N 3.09Å; D187-Y268 HydrophobicContact CB-CE1 4.46Å; D187-Y268 WeakPolarHBondContact CB-OH 3.35Å; D187-Y268 PolarHBondContact OD2-OH 3.29Å; D187-Y268 VanDerWaalsContact OD2-OH 3.13Å; D187-L276 HydrophobicContact CB-CD1 4.44Å
188P92.5Very high95.3Very high96 Ų9658.5 Ų58.562%0.62330%0.304SS*.THydrogen-bonded Turntrans-66.9-15-178.129-36.1000113.3T186 K192T186-P188 VanDerWaalsContact O-CD 3.29Å; T186-P188 WeakPolarHBondContact O-CD 3.27Å; P188-K192 WeakPolarHBondContact O-CG 3.46Å
189N93.7Very high95.3Very high51 Ų5158.1 Ų58.127%0.27330%0.302SS..THydrogen-bonded Turntrans-93.1-6.8178.4-47.3-73.8000112.5D187 L276D187-N189 PolarHBondContact O-N 3.23Å; D187-N189 VanDerWaalsContact O-N 3.14Å; D187-N189 WeakPolarHBondContact OD1-CB 3.31Å; D187-N189 PolarHBondContact OD1-N 2.97Å; D187-N189 PolarHBondContact OD1-ND2 3.45Å; N189-L276 HydrophobicContact CB-CB 3.86Å; N189-L276 HydrophobicContact CB-CD1 4.16Å
190G93.1Very high95.2Very high25 Ų2561 Ų6126%0.25832%0.317SS..THydrogen-bonded Turntrans-87.2-123.6178.500000112.3D187 K192D187-G190 PolarHBondContact O-N 2.89Å; D187-G190 VanDerWaalsContact O-N 3.09Å; G190-K192 PolarHBondContact O-N 2.86Å
191W91.3Very high95.2Very high227 Ų22762.7 Ų62.786%0.8632%0.321SS*.THydrogen-bonded Turntrans-65-7.3-178.5-69.5104.4000114.9I193W191-I193 HydrophobicContact CB-CD1 4.26Å; W191-I193 HydrophobicContact CB-CG1 3.83Å; W191-I193 PolarHBondContact O-N 3.34Å
192K91.4Very high95.2Very high162 Ų16263 Ų6370%0.70432%0.318SS*.  trans51.641.9-176.7-63.4172.6-177.1174.80111.9P188 G190 P194P188-K192 WeakPolarHBondContact O-CG 3.46Å; G190-K192 PolarHBondContact O-N 2.86Å; K192-P194 WeakPolarHBondContact O-CD 3.39Å
193I94.1Very high95.2Very high29 Ų2962.8 Ų62.815%0.14932%0.316CS..  trans-59.5127.2175.7-62.2174.6000107.1I185 W191 D195 L197 H198I185-I193 HydrophobicContact CG2-CD1 4.36Å; W191-I193 HydrophobicContact CB-CD1 4.26Å; W191-I193 HydrophobicContact CB-CG1 3.83Å; W191-I193 PolarHBondContact O-N 3.34Å; I193-D195 PolarHBondContact O-N 3.39Å; I193-L197 HydrophobicContact CG2-CB 3.73Å; I193-H198 PolarHBondContact O-NE2 3.13Å
194P94.5Very high95.3Very high56 Ų5668.1 Ų68.136%0.36434%0.34SS..  trans-57137.4174.9-25.232.8000111.3K192 Y196 L197K192-P194 WeakPolarHBondContact O-CD 3.39Å; P194-Y196 HydrophobicContact CB-CD1 3.78Å; P194-Y196 HydrophobicContact CB-CE1 3.3Å; P194-Y196 HydrophobicContact CB-CE2 4.26Å; P194-Y196 HydrophobicContact CB-CG 4.43Å; P194-Y196 HydrophobicContact CG-CE1 4.21Å; P194-Y196 PolarHBondContact O-N 3.24Å; P194-L197 HydrophobicContact CG-CD1 4.42Å; P194-L197 WeakPolarHBondContact O-CA 3.38Å; P194-L197 WeakPolarHBondContact O-CB 3.24Å; P194-L197 PolarHBondContact O-N 3.41Å
195D91.4Very high95.3Very high128 Ų12868 Ų6868%0.68434%0.335SS*.G310 helixtrans-52.5-35.3-173.4-68.8-22000113.9I193 L197 H198I193-D195 PolarHBondContact O-N 3.39Å; D195-L197 PolarHBondContact O-N 2.98Å; D195-H198 WeakPolarHBondContact O-CB 3.31Å; D195-H198 PolarHBondContact O-N 2.85Å; D195-H198 VanDerWaalsContact O-N 3.15Å; D195-H198 IonicContact OD1-CE1 3.89Å; D195-H198 PolarHBondContact OD1-CE1 3.37Å; D195-H198 IonicContact OD1-ND1 2.88Å; D195-H198 IonicContact OD1-NE2 2.68Å
196Y92.6Very high95.4Very high173 Ų17367.4 Ų67.468%0.67833%0.332SS*.G310 helixtrans-67.9-12.2178.464-99.3000113.9P194P194-Y196 HydrophobicContact CB-CD1 3.78Å; P194-Y196 HydrophobicContact CB-CE1 3.3Å; P194-Y196 HydrophobicContact CB-CE2 4.26Å; P194-Y196 HydrophobicContact CB-CG 4.43Å; P194-Y196 HydrophobicContact CG-CE1 4.21Å; P194-Y196 PolarHBondContact O-N 3.24Å
197L96.3Very high95.6Very high59 Ų5969 Ų6931%0.30933%0.333SS..G310 helixtrans-99.8-8.3173.9-64.4-177000113.6I193 P194 D195 P199 L200 H201I193-L197 HydrophobicContact CG2-CB 3.73Å; P194-L197 HydrophobicContact CG-CD1 4.42Å; P194-L197 WeakPolarHBondContact O-CA 3.38Å; P194-L197 WeakPolarHBondContact O-CB 3.24Å; P194-L197 PolarHBondContact O-N 3.41Å; D195-L197 PolarHBondContact O-N 2.98Å; L197-P199 VanDerWaalsContact C-CD 3.46Å; L197-L200 PolarHBondContact O-N 2.88Å; L197-H201 PolarHBondContact O-N 3.33Å; L197-H201 PolarHBondContact O-ND1 3.18Å
198H95.7Very high95.8Very high30 Ų3071 Ų7114%0.13935%0.35CS..Hα-helixtrans-54.5-45.2174.6-65.4163.1000112.9T186 I193 D195 L200 H201 L202T186-H198 HydrophobicContact CG2-CB 4.42Å; I193-H198 PolarHBondContact O-NE2 3.13Å; D195-H198 WeakPolarHBondContact O-CB 3.31Å; D195-H198 PolarHBondContact O-N 2.85Å; D195-H198 VanDerWaalsContact O-N 3.15Å; D195-H198 IonicContact OD1-CE1 3.89Å; D195-H198 PolarHBondContact OD1-CE1 3.37Å; D195-H198 IonicContact OD1-ND1 2.88Å; D195-H198 IonicContact OD1-NE2 2.68Å; H198-L200 VanDerWaalsContact C-N 3.27Å; H198-L200 PolarHBondContact O-N 2.89Å; H198-H201 PolarHBondContact O-N 3.25Å; H198-L202 WeakPolarHBondContact O-CB 3.45Å; H198-L202 VanDerWaalsContact O-CG 3.31Å; H198-L202 WeakPolarHBondContact O-CG 3.35Å; H198-L202 PolarHBondContact O-N 2.91Å
199P97.4Very high96.1Very high9 Ų966.7 Ų66.76%0.05832%0.322CS..Hα-helixtrans-56.9-39.8179.1-24.634.5000112.8Y76 V79 M80 L197 A203Y76-P199 HydrophobicContact CD2-CB 3.77Å; Y76-P199 HydrophobicContact CE2-CB 3.88Å; V79-P199 HydrophobicContact CB-CB 4.1Å; V79-P199 HydrophobicContact CB-CG 4.31Å; V79-P199 HydrophobicContact CG1-CB 4.09Å; V79-P199 HydrophobicContact CG1-CG 3.8Å; M80-P199 HydrophobicContact CG-CB 4.07Å; M80-P199 HydrophobicContact CG-CG 4.3Å; M80-P199 HydrophobicContact SD-CB 3.97Å; M80-P199 HydrophobicContact SD-CG 3.67Å; L197-P199 VanDerWaalsContact C-CD 3.46Å; P199-A203 WeakPolarHBondContact O-CB 3.49Å; P199-A203 PolarHBondContact O-N 3.26Å
200L98Very high96.3Very high60 Ų6064.5 Ų64.531%0.31431%0.31SS..Hα-helixtrans-67.3-43.4-179.2-178.763.3000111.9Y76 L197 H198 A203 F204Y76-L200 HydrophobicContact CD2-CB 4.35Å; Y76-L200 HydrophobicContact CE2-CB 4.09Å; Y76-L200 HydrophobicContact CE2-CD1 4.5Å; L197-L200 PolarHBondContact O-N 2.88Å; H198-L200 VanDerWaalsContact C-N 3.27Å; H198-L200 PolarHBondContact O-N 2.89Å; L200-A203 VanDerWaalsContact O-CB 3.28Å; L200-A203 WeakPolarHBondContact O-CB 3.46Å; L200-A203 PolarHBondContact O-N 3.28Å; L200-F204 HydrophobicContact CD1-CE2 4Å; L200-F204 HydrophobicContact CD1-CZ 4.05Å; L200-F204 HydrophobicContact CD2-CE2 4.29Å; L200-F204 HydrophobicContact CG-CD2 4.33Å; L200-F204 HydrophobicContact CG-CE2 3.83Å; L200-F204 HydrophobicContact CG-CZ 4.38Å; L200-F204 WeakPolarHBondContact O-CD2 3.44Å; L200-F204 PolarHBondContact O-N 3.34Å
201H98.4Very high96.5Very high62 Ų6265 Ų6529%0.28732%0.316SS..Hα-helixtrans-71-36.9179.7-68.383.5000111.7I185 L197 H198 A203 F204 L205I185-H201 HydrophobicContact CD1-CB 3.93Å; I185-H201 HydrophobicContact CG1-CB 4.04Å; I185-H201 HydrophobicContact CG2-CB 3.63Å; L197-H201 PolarHBondContact O-N 3.33Å; L197-H201 PolarHBondContact O-ND1 3.18Å; H198-H201 PolarHBondContact O-N 3.25Å; H201-A203 VanDerWaalsContact C-N 3.26Å; H201-A203 PolarHBondContact O-N 2.98Å; H201-F204 PolarHBondContact O-N 2.93Å; H201-L205 PolarHBondContact O-N 3.25Å
202L98.5Very high96.8Very high24 Ų2458.7 Ų58.713%0.12631%0.305CS..Hα-helixtrans-63.2-34.7171.7-68.8170.3000111.7V75 V79 A182 I185 H198 L205 V206V75-L202 HydrophobicContact CG1-CB 4.07Å; V79-L202 HydrophobicContact CG1-CD1 4.29Å; V79-L202 HydrophobicContact CG2-CD1 3.98Å; A182-L202 HydrophobicContact CB-CD2 3.68Å; I185-L202 HydrophobicContact CD1-CD2 4.13Å; I185-L202 HydrophobicContact CG2-CG 4.42Å; H198-L202 WeakPolarHBondContact O-CB 3.45Å; H198-L202 VanDerWaalsContact O-CG 3.31Å; H198-L202 WeakPolarHBondContact O-CG 3.35Å; H198-L202 PolarHBondContact O-N 2.91Å; L202-L205 HydrophobicContact CD2-CD2 4.47Å; L202-L205 WeakPolarHBondContact O-CB 3.48Å; L202-L205 PolarHBondContact O-N 2.88Å; L202-V206 WeakPolarHBondContact O-CG2 3.49Å; L202-V206 PolarHBondContact O-N 3.38Å
203A98.7Very high97.1Very high5 Ų554.2 Ų54.24%0.04129%0.286CS..Hα-helixtrans-63.8-45.417300000112.2G72 Y76 P199 L200 H201 L205 V206 Y207G72-A203 WeakPolarHBondContact CA-O 3.48Å; G72-A203 WeakPolarHBondContact O-CA 3.36Å; G72-A203 WeakPolarHBondContact O-CB 3.29Å; Y76-A203 HydrophobicContact CD2-CB 4.41Å; P199-A203 WeakPolarHBondContact O-CB 3.49Å; P199-A203 PolarHBondContact O-N 3.26Å; L200-A203 VanDerWaalsContact O-CB 3.28Å; L200-A203 WeakPolarHBondContact O-CB 3.46Å; L200-A203 PolarHBondContact O-N 3.28Å; H201-A203 VanDerWaalsContact C-N 3.26Å; H201-A203 PolarHBondContact O-N 2.98Å; A203-L205 VanDerWaalsContact C-N 3.33Å; A203-L205 PolarHBondContact O-N 2.75Å; A203-V206 PolarHBondContact O-N 3.04Å; A203-Y207 VanDerWaalsContact O-CB 3.29Å; A203-Y207 WeakPolarHBondContact O-CB 3.27Å; A203-Y207 PolarHBondContact O-N 3.49Å
204F98.8Very high97.2Very high119 Ų11953.3 Ų53.352%0.52228%0.282SS..Hα-helixtrans-63.7-38.3175-70.9-42.8000112.7L200 H201 Y207 A208L200-F204 HydrophobicContact CD1-CE2 4Å; L200-F204 HydrophobicContact CD1-CZ 4.05Å; L200-F204 HydrophobicContact CD2-CE2 4.29Å; L200-F204 HydrophobicContact CG-CD2 4.33Å; L200-F204 HydrophobicContact CG-CE2 3.83Å; L200-F204 HydrophobicContact CG-CZ 4.38Å; L200-F204 WeakPolarHBondContact O-CD2 3.44Å; L200-F204 PolarHBondContact O-N 3.34Å; H201-F204 PolarHBondContact O-N 2.93Å; F204-Y207 PolarHBondContact O-N 3.47Å; F204-A208 WeakPolarHBondContact O-CB 3.34Å; F204-A208 PolarHBondContact O-N 2.89Å
205L98.8Very high97.3Very high31 Ų3157 Ų5716%0.16230%0.298CS..Hα-helixtrans-59.1-50.1174.6176.561.5000111.5L178 A182 I185 H201 L202 A203 A208 I209L178-L205 HydrophobicContact CD1-CD2 4.04Å; L178-L205 HydrophobicContact CD1-CG 4.34Å; L178-L205 WeakPolarHBondContact O-CD2 3.5Å; A182-L205 HydrophobicContact CB-CD2 4.4Å; I185-L205 HydrophobicContact CD1-CB 4.12Å; I185-L205 HydrophobicContact CD1-CD2 4.05Å; H201-L205 PolarHBondContact O-N 3.25Å; L202-L205 HydrophobicContact CD2-CD2 4.47Å; L202-L205 WeakPolarHBondContact O-CB 3.48Å; L202-L205 PolarHBondContact O-N 2.88Å; A203-L205 VanDerWaalsContact C-N 3.33Å; A203-L205 PolarHBondContact O-N 2.75Å; L205-A208 PolarHBondContact O-N 2.95Å; L205-I209 HydrophobicContact CD1-CD1 3.76Å; L205-I209 HydrophobicContact CD1-CG1 4.31Å; L205-I209 HydrophobicContact CG-CD1 3.94Å; L205-I209 VanDerWaalsContact O-CG1 3.31Å; L205-I209 WeakPolarHBondContact O-CG1 3.25Å; L205-I209 PolarHBondContact O-N 2.87Å
206V98.8Very high97.6Very high11 Ų1153.4 Ų53.47%0.06728%0.279CS..Hα-helixtrans-69-40.1180172.10000111.6W71 V75 L178 L202 A203 A208 I209 V210W71-V206 HydrophobicContact CB-CG1 4.2Å; V75-V206 HydrophobicContact CB-CB 4.42Å; V75-V206 HydrophobicContact CB-CG2 4.16Å; V75-V206 HydrophobicContact CG1-CG2 4.16Å; V75-V206 HydrophobicContact CG2-CB 4.05Å; V75-V206 HydrophobicContact CG2-CG1 3.91Å; V75-V206 HydrophobicContact CG2-CG2 3.67Å; L178-V206 HydrophobicContact CD1-CG2 3.73Å; L202-V206 WeakPolarHBondContact O-CG2 3.49Å; L202-V206 PolarHBondContact O-N 3.38Å; A203-V206 PolarHBondContact O-N 3.04Å; V206-A208 VanDerWaalsContact C-N 3.3Å; V206-A208 PolarHBondContact O-N 3.41Å; V206-I209 PolarHBondContact O-N 2.94Å; V206-V210 HydrophobicContact CG1-CG2 4.04Å; V206-V210 WeakPolarHBondContact O-CB 3.47Å; V206-V210 VanDerWaalsContact O-CG2 3.29Å; V206-V210 WeakPolarHBondContact O-CG2 3.49Å; V206-V210 PolarHBondContact O-N 3.26Å
207Y98.7Very high97.8Very high86 Ų8645.1 Ų45.134%0.33725%0.247SC..Hα-helixtrans-53.6-48.3172.1167-121.6000111.4S68 L69 A203 F204 G211S68-Y207 VanDerWaalsContact C-CD2 3.49Å; L69-Y207 HydrophobicContact CD2-CD1 4.49Å; L69-Y207 HydrophobicContact CD2-CD2 3.78Å; L69-Y207 HydrophobicContact CD2-CE1 4.36Å; L69-Y207 HydrophobicContact CD2-CE2 3.62Å; L69-Y207 HydrophobicContact CD2-CG 4.21Å; L69-Y207 HydrophobicContact CG-CD2 4.01Å; L69-Y207 HydrophobicContact CG-CE2 3.67Å; A203-Y207 VanDerWaalsContact O-CB 3.29Å; A203-Y207 WeakPolarHBondContact O-CB 3.27Å; A203-Y207 PolarHBondContact O-N 3.49Å; F204-Y207 PolarHBondContact O-N 3.47Å; Y207-G211 PolarHBondContact O-N 3.43Å
208A98.7Very high97.8Very high48 Ų4843.7 Ų43.740%0.39725%0.246SC..Hα-helixtrans-63.8-46.8178.600000112F204 L205 V206 G211 C212F204-A208 WeakPolarHBondContact O-CB 3.34Å; F204-A208 PolarHBondContact O-N 2.89Å; L205-A208 PolarHBondContact O-N 2.95Å; V206-A208 VanDerWaalsContact C-N 3.3Å; V206-A208 PolarHBondContact O-N 3.41Å; A208-G211 PolarHBondContact O-N 3.25Å; A208-C212 WeakPolarHBondContact O-CB 3.49Å; A208-C212 PolarHBondContact O-N 2.97Å; A208-C212 PolarHBondContact O-SG 2.82Å
209I98.7Very high97.8Very high6 Ų642.6 Ų42.63%0.03124%0.242CC..Hα-helixtrans-64.4-45.1-179-65.1166.3000111.1L177 L178 L205 V206 G211 C212 F213 L221L177-I209 HydrophobicContact CB-CD1 4.08Å; L177-I209 HydrophobicContact CB-CG1 4.35Å; L178-I209 HydrophobicContact CB-CD1 3.79Å; L178-I209 HydrophobicContact CD1-CD1 4.3Å; L205-I209 HydrophobicContact CD1-CD1 3.76Å; L205-I209 HydrophobicContact CD1-CG1 4.31Å; L205-I209 HydrophobicContact CG-CD1 3.94Å; L205-I209 VanDerWaalsContact O-CG1 3.31Å; L205-I209 WeakPolarHBondContact O-CG1 3.25Å; L205-I209 PolarHBondContact O-N 2.87Å; V206-I209 PolarHBondContact O-N 2.94Å; I209-G211 VanDerWaalsContact C-N 3.33Å; I209-G211 PolarHBondContact O-N 2.99Å; I209-C212 PolarHBondContact O-N 2.97Å; I209-F213 HydrophobicContact CG2-CD2 4.13Å; I209-F213 PolarHBondContact O-N 3.19Å; I209-L221 HydrophobicContact CB-CD1 4.36Å; I209-L221 HydrophobicContact CG2-CD1 3.59Å; I209-L221 HydrophobicContact CG2-CD2 3.95Å; I209-L221 HydrophobicContact CG2-CG 4.42Å
210V98.5Very high97.8Very high4 Ų442.3 Ų42.32%0.02424%0.24CC..Hα-helixtrans-63.3-43.6177.2176.90000110.1F64 W71 V206 C212 A214 A219F64-V210 VanDerWaalsContact CZ-O 3.25Å; F64-V210 WeakPolarHBondContact CZ-O 3.31Å; W71-V210 HydrophobicContact CB-CG2 3.95Å; W71-V210 HydrophobicContact CG-CG2 4.35Å; V206-V210 HydrophobicContact CG1-CG2 4.04Å; V206-V210 WeakPolarHBondContact O-CB 3.47Å; V206-V210 VanDerWaalsContact O-CG2 3.29Å; V206-V210 WeakPolarHBondContact O-CG2 3.49Å; V206-V210 PolarHBondContact O-N 3.26Å; V210-C212 PolarHBondContact O-N 2.99Å; V210-A214 HydrophobicContact CG1-CB 3.98Å; V210-A214 WeakPolarHBondContact O-CB 3.5Å; V210-A214 PolarHBondContact O-N 3.41Å; V210-A219 HydrophobicContact CG2-CB 4.14Å
211G97.8Very high97.9Very high37 Ų3739.9 Ų39.938%0.38123%0.228SC..Hα-helixtrans-59.7-29176.600000114.3S68 Y207 A208 I209S68-G211 WeakPolarHBondContact OG-CA 3.36Å; S68-G211 PolarHBondContact OG-N 3.06Å; Y207-G211 PolarHBondContact O-N 3.43Å; A208-G211 PolarHBondContact O-N 3.25Å; I209-G211 VanDerWaalsContact C-N 3.33Å; I209-G211 PolarHBondContact O-N 2.99Å
212C97.7Very high97.9Very high93 Ų9337.4 Ų37.463%0.62822%0.217SC*.Hα-helixtrans-99.8-33.2-176.8-67.10000114.6A208 I209 V210A208-C212 WeakPolarHBondContact O-CB 3.49Å; A208-C212 PolarHBondContact O-N 2.97Å; A208-C212 PolarHBondContact O-SG 2.82Å; I209-C212 PolarHBondContact O-N 2.97Å; V210-C212 PolarHBondContact O-N 2.99Å
213F96.6Very high97.9Very high68 Ų6836.4 Ų36.430%0.29821%0.212SC..Hα-helixtrans-126.54-164.7-58.8-74.4000114.9D170 L177 I209 L215D170-F213 VanDerWaalsContact OD2-O 3.09Å; L177-F213 HydrophobicContact CD1-CD2 4.33Å; L177-F213 HydrophobicContact CD1-CE2 3.51Å; L177-F213 HydrophobicContact CD1-CZ 3.9Å; I209-F213 HydrophobicContact CG2-CD2 4.13Å; I209-F213 PolarHBondContact O-N 3.19Å; F213-L215 PolarHBondContact O-N 3.07Å
214A96.4Very high97.9Very high10 Ų1036.2 Ų36.28%0.08321%0.21CC..Hα-helixtrans-79.9-10.7-176.200000115.5F64 V210 N216 G218 A219F64-A214 HydrophobicContact CE2-CB 3.96Å; F64-A214 HydrophobicContact CZ-CB 3.67Å; V210-A214 HydrophobicContact CG1-CB 3.98Å; V210-A214 WeakPolarHBondContact O-CB 3.5Å; V210-A214 PolarHBondContact O-N 3.41Å; A214-N216 PolarHBondContact O-N 2.81Å; A214-G218 WeakPolarHBondContact O-CA 3.27Å; A214-G218 PolarHBondContact O-N 3.22Å; A214-A219 HydrophobicContact CB-CB 3.52Å
215L97.1Very high97.9Very high133 Ų13331 Ų3170%0.69619%0.187SC*.Hα-helixtrans-62.9-44.9-174.3-179.961.4000113.1S161 F213S161-L215 WeakPolarHBondContact CB-O 3.45Å; S161-L215 PolarHBondContact OG-O 3.3Å; F213-L215 PolarHBondContact O-N 3.07Å
216N97.9Very high97.9Very high53 Ų5329.5 Ų29.528%0.28318%0.179SC..Hα-helixtrans-74.7-39.4-171-62.5-45.9000113S161 A162 C167 D170 A214S161-N216 PolarHBondContact N-O 3.22Å; A162-N216 HydrophobicContact CB-CB 4.2Å; C167-N216 PolarHBondContact SG-O 3.29Å; D170-N216 HydrophobicContact CB-CB 4.27Å; D170-N216 PolarHBondContact OD2-ND2 3.49Å; A214-N216 PolarHBondContact O-N 2.81Å
217A97.5Very high97.9Very high0 Ų030.8 Ų30.80%019%0.185CC..Hα-helixtrans-142.813.4-16800000113.7T158 C167 Q171 A219 F249T158-A217 VanDerWaalsContact CB-O 3.25Å; T158-A217 WeakPolarHBondContact CB-O 3.29Å; T158-A217 WeakPolarHBondContact CG2-O 3.44Å; C167-A217 HydrophobicContact CB-CB 3.75Å; Q171-A217 HydrophobicContact CG-CB 4.12Å; A217-A219 VanDerWaalsContact C-N 3.28Å; A217-A219 PolarHBondContact O-N 2.88Å; A217-F249 HydrophobicContact CB-CZ 4.25Å
218G96Very high97.9Very high28 Ų2826.7 Ų26.729%0.28917%0.169SC..THydrogen-bonded Turntrans73.49.3175.300000116A214A214-G218 WeakPolarHBondContact O-CA 3.27Å; A214-G218 PolarHBondContact O-N 3.22Å
219A95.8Very high97.9Very high7 Ų724.4 Ų24.46%0.05815%0.15CC..THydrogen-bonded Turntrans48.661.1-178.500000112.8V210 A214 A217 L221V210-A219 HydrophobicContact CG2-CB 4.14Å; A214-A219 HydrophobicContact CB-CB 3.52Å; A217-A219 VanDerWaalsContact C-N 3.28Å; A217-A219 PolarHBondContact O-N 2.88Å; A219-L221 HydrophobicContact CB-CD1 4.18Å; A219-L221 HydrophobicContact CB-CG 4.17Å
220A97.4Very high97.9Very high3 Ų324.2 Ų24.23%0.02515%0.149CC..  trans-62.4-50.3176.700000111T158 Q171 N222 R225 D226 P253T158-A220 HydrophobicContact CG2-CB 3.65Å; Q171-A220 VanDerWaalsContact OE1-CB 3.28Å; A220-N222 WeakPolarHBondContact O-CB 3.28Å; A220-N222 PolarHBondContact O-N 3.45Å; A220-R225 WeakPolarHBondContact O-CD 3.29Å; A220-D226 HydrophobicContact CB-CB 4.38Å; A220-P253 HydrophobicContact CB-CB 3.36Å
221L98.6Very high97.9Very high9 Ų927.1 Ų27.15%0.04716%0.164CC..  trans56.4-3.9174.2-49.2173.5000116.3N91 G174 T175 L178 I209 A219N91-L221 PolarHBondContact ND2-O 3.04Å; G174-L221 VanDerWaalsContact C-CD2 3.42Å; T175-L221 WeakPolarHBondContact CG2-O 3.41Å; T175-L221 WeakPolarHBondContact OG1-CA 3.34Å; L178-L221 HydrophobicContact CD2-CB 3.93Å; I209-L221 HydrophobicContact CB-CD1 4.36Å; I209-L221 HydrophobicContact CG2-CD1 3.59Å; I209-L221 HydrophobicContact CG2-CD2 3.95Å; I209-L221 HydrophobicContact CG2-CG 4.42Å; A219-L221 HydrophobicContact CB-CD1 4.18Å; A219-L221 HydrophobicContact CB-CG 4.17Å
222N98.8Very high98Very high11 Ų1125.4 Ų25.46%0.05915%0.146CC..  trans-158.5111.6-162.2176.3-12.2000108.8C90 N91 P92 A220 A224 R225 D226C90-N222 PolarHBondContact O-ND2 3.5Å; N91-N222 HydrophobicContact CB-CB 4.34Å; N91-N222 VanDerWaalsContact CG-CG 3.44Å; N91-N222 WeakPolarHBondContact ND2-CB 3.28Å; P92-N222 VanDerWaalsContact CD-OD1 3.28Å; P92-N222 WeakPolarHBondContact CD-OD1 3.49Å; A220-N222 WeakPolarHBondContact O-CB 3.28Å; A220-N222 PolarHBondContact O-N 3.45Å; N222-A224 VanDerWaalsContact C-N 3.27Å; N222-A224 PolarHBondContact O-N 2.89Å; N222-A224 WeakPolarHBondContact OD1-CB 3.47Å; N222-A224 PolarHBondContact OD1-N 2.88Å; N222-R225 HydrophobicContact CB-CB 3.7Å; N222-R225 PolarHBondContact O-N 2.97Å; N222-R225 PolarHBondContact OD1-N 2.89Å; N222-D226 PolarHBondContact O-N 3.39Å
223P98.9Very high98Very high3 Ų321 Ų212%0.01912%0.116CC..Hα-helixtrans-58.9-34.8-180-26.835.9000113.8P92 A93 D226 L227 I254 P257 Y258P92-P223 HydrophobicContact CB-CB 4.31Å; P92-P223 HydrophobicContact CB-CG 4.3Å; P92-P223 HydrophobicContact CG-CB 4.23Å; A93-P223 HydrophobicContact CB-CG 4.13Å; P223-D226 PolarHBondContact O-N 2.96Å; P223-L227 WeakPolarHBondContact O-CB 3.46Å; P223-L227 PolarHBondContact O-N 3.33Å; P223-I254 HydrophobicContact CB-CG2 4.43Å; P223-P257 HydrophobicContact CG-CB 4.09Å; P223-Y258 HydrophobicContact CB-CE2 4.05Å; P223-Y258 HydrophobicContact CG-CD2 3.95Å; P223-Y258 HydrophobicContact CG-CE1 4.45Å; P223-Y258 HydrophobicContact CG-CE2 3.65Å; P223-Y258 HydrophobicContact CG-CG 4.46Å
224A98.9Very high98.1Very high0 Ų021.6 Ų21.60%012%0.119CC..Hα-helixtrans-71.2-38.9179.300000112.4P92 Q116 I117 A120 N222 D226 G228 P229P92-A224 VanDerWaalsContact CD-CB 3.5Å; P92-A224 HydrophobicContact CG-CB 3.75Å; Q116-A224 HydrophobicContact CB-CB 3.79Å; I117-A224 HydrophobicContact CG1-CB 3.97Å; A120-A224 HydrophobicContact CB-CB 4.45Å; A120-A224 WeakPolarHBondContact CB-O 3.36Å; N222-A224 VanDerWaalsContact C-N 3.27Å; N222-A224 PolarHBondContact O-N 2.89Å; N222-A224 WeakPolarHBondContact OD1-CB 3.47Å; N222-A224 PolarHBondContact OD1-N 2.88Å; A224-D226 PolarHBondContact O-N 2.97Å; A224-G228 PolarHBondContact O-N 2.94Å; A224-P229 WeakPolarHBondContact O-CD 3.44Å
225R98.6Very high98.2Very high9 Ų926.1 Ų26.13%0.03414%0.141CC..Hα-helixtrans-61.7-20.2177.1175.5-94.3176.2-91.810.2113.2M41 W71 F156 A220 N222 P229M41-R225 HydrophobicContact CE-CG 4.4Å; M41-R225 HydrophobicContact SD-CB 4.04Å; M41-R225 HydrophobicContact SD-CG 3.66Å; W71-R225 HydrophobicContact CH2-CG 3.73Å; W71-R225 VanDerWaalsContact CH2-NE 3.28Å; W71-R225 HydrophobicContact CZ3-CG 3.8Å; F156-R225 PolarHBondContact O-NH1 2.91Å; A220-R225 WeakPolarHBondContact O-CD 3.29Å; N222-R225 HydrophobicContact CB-CB 3.7Å; N222-R225 PolarHBondContact O-N 2.97Å; N222-R225 PolarHBondContact OD1-N 2.89Å; R225-P229 WeakPolarHBondContact O-CG 3.26Å
226D98.7Very high98.3Very high0 Ų023.6 Ų23.60%013%0.125CC..Hα-helixtrans-107-52.2177.1-169.592.9000111.8T158 A220 N222 P223 A224 G228 P229 R230 P253T158-D226 PolarHBondContact N-OD1 2.85Å; T158-D226 PolarHBondContact OG1-OD1 3.37Å; A220-D226 HydrophobicContact CB-CB 4.38Å; N222-D226 PolarHBondContact O-N 3.39Å; P223-D226 PolarHBondContact O-N 2.96Å; A224-D226 PolarHBondContact O-N 2.97Å; D226-G228 PolarHBondContact O-N 3.42Å; D226-P229 WeakPolarHBondContact O-CD 3.4Å; D226-R230 WeakPolarHBondContact O-CB 3.36Å; D226-R230 PolarHBondContact O-N 3.25Å; D226-R230 IonicContact OD1-CZ 2.71Å; D226-R230 IonicContact OD1-NH2 3.92Å; D226-R230 PolarHBondContact OD1-NH2 3Å; D226-R230 IonicContact OD2-CZ 2.78Å; D226-R230 IonicContact OD2-NE 3.3Å; D226-R230 PolarHBondContact OD2-NE 3.45Å; D226-R230 IonicContact OD2-NH2 3.99Å; D226-R230 PolarHBondContact OD2-NH2 3.48Å; D226-P253 HydrophobicContact CB-CB 3.88Å; D226-P253 HydrophobicContact CB-CG 4.23Å; D226-P253 VanDerWaalsContact CG-CG 3.44Å; D226-P253 VanDerWaalsContact OD2-CG 3.29Å; D226-P253 WeakPolarHBondContact OD2-CG 3.4Å
227L98.8Very high98.2Very high39 Ų3923.6 Ų23.620%0.20414%0.137CC..Hα-helixtrans-64.2-41.4-176.3-17958000113.2I117 P223 R230 L231 F243 I254I117-L227 HydrophobicContact CD1-CD2 3.94Å; P223-L227 WeakPolarHBondContact O-CB 3.46Å; P223-L227 PolarHBondContact O-N 3.33Å; L227-R230 PolarHBondContact O-N 3.27Å; L227-L231 HydrophobicContact CD1-CD1 4.33Å; L227-L231 HydrophobicContact CD1-CG 4.22Å; L227-L231 HydrophobicContact CG-CD1 4.25Å; L227-L231 WeakPolarHBondContact O-CG 3.46Å; L227-L231 PolarHBondContact O-N 3.27Å; L227-F243 HydrophobicContact CD1-CE1 4.15Å; L227-F243 HydrophobicContact CD1-CZ 4.47Å; L227-I254 HydrophobicContact CB-CD1 4.4Å; L227-I254 HydrophobicContact CD1-CD1 4.15Å; L227-I254 HydrophobicContact CD2-CD1 4.48Å
228G98.8Very high98.3Very high0 Ų024 Ų240%014%0.138CC..Hα-helixtrans-59.4-56.817800000112F121 A224 D226 R230 L231 M232F121-G228 WeakPolarHBondContact CD2-O 3.16Å; A224-G228 PolarHBondContact O-N 2.94Å; D226-G228 PolarHBondContact O-N 3.42Å; G228-R230 VanDerWaalsContact C-N 3.26Å; G228-R230 PolarHBondContact O-N 2.87Å; G228-L231 WeakPolarHBondContact O-CB 3.36Å; G228-L231 PolarHBondContact O-N 3.11Å; G228-M232 PolarHBondContact O-N 3.04Å; G228-M232 VanDerWaalsContact O-N 3.11Å
229P98.9Very high98.4Very high0 Ų023.9 Ų23.90%014%0.137CC..Hα-helixtrans-64.1-29.1176.2-22.934.4000113.5M41 S124 F156 V157 A224 R225 D226 M232 I233M41-P229 HydrophobicContact CE-CB 4.46Å; M41-P229 HydrophobicContact CE-CG 3.53Å; M41-P229 HydrophobicContact CG-CG 4.34Å; M41-P229 HydrophobicContact SD-CG 4.12Å; S124-P229 WeakPolarHBondContact OG-CB 3.18Å; S124-P229 WeakPolarHBondContact OG-CG 3.38Å; F156-P229 HydrophobicContact CB-CB 3.91Å; F156-P229 WeakPolarHBondContact O-CB 3.45Å; V157-P229 HydrophobicContact CG1-CB 4.19Å; A224-P229 WeakPolarHBondContact O-CD 3.44Å; R225-P229 WeakPolarHBondContact O-CG 3.26Å; D226-P229 WeakPolarHBondContact O-CD 3.4Å; P229-M232 WeakPolarHBondContact O-CB 3.48Å; P229-M232 PolarHBondContact O-N 2.84Å; P229-I233 PolarHBondContact O-N 2.87Å
230R98.8Very high98.5Very high2 Ų229.4 Ų29.41%0.00817%0.165CC..Hα-helixtrans-65.5-42.5175-166.9174.2-62.7-76.40.1112.4V157 T158 D226 L227 G228 M232 I233 F234 A242 F243V157-R230 HydrophobicContact CG1-CB 3.7Å; V157-R230 HydrophobicContact CG1-CG 4.28Å; T158-R230 PolarHBondContact O-NH2 3.49Å; D226-R230 WeakPolarHBondContact O-CB 3.36Å; D226-R230 PolarHBondContact O-N 3.25Å; D226-R230 IonicContact OD1-CZ 2.71Å; D226-R230 IonicContact OD1-NH2 3.92Å; D226-R230 PolarHBondContact OD1-NH2 3Å; D226-R230 IonicContact OD2-CZ 2.78Å; D226-R230 IonicContact OD2-NE 3.3Å; D226-R230 PolarHBondContact OD2-NE 3.45Å; D226-R230 IonicContact OD2-NH2 3.99Å; D226-R230 PolarHBondContact OD2-NH2 3.48Å; L227-R230 PolarHBondContact O-N 3.27Å; G228-R230 VanDerWaalsContact C-N 3.26Å; G228-R230 PolarHBondContact O-N 2.87Å; R230-M232 VanDerWaalsContact C-N 3.28Å; R230-M232 PolarHBondContact O-N 3.29Å; R230-I233 VanDerWaalsContact O-CG1 3.32Å; R230-I233 WeakPolarHBondContact O-CG1 3.25Å; R230-I233 PolarHBondContact O-N 3Å; R230-F234 WeakPolarHBondContact O-CB 3.41Å; R230-F234 PolarHBondContact O-N 2.86Å; R230-A242 VanDerWaalsContact CD-O 3.28Å; R230-A242 WeakPolarHBondContact CD-O 3.25Å; R230-A242 HydrophobicContact CG-CB 4.14Å; R230-A242 WeakPolarHBondContact CG-O 3.13Å; R230-A242 PolarHBondContact NH1-O 2.83Å; R230-F243 HydrophobicContact CG-CD1 4.24Å; R230-F243 HydrophobicContact CG-CE1 3.83Å; R230-F243 HydrophobicContact CG-CE2 4.39Å; R230-F243 HydrophobicContact CG-CZ 3.91Å
231L98.9Very high98.5Very high65 Ų6535.5 Ų35.534%0.3419%0.191SC..Hα-helixtrans-62.1-38.1170.8-70.9165.9000111.3I117 F121 L227 G228 I235 F243I117-L231 HydrophobicContact CG2-CD1 4.22Å; F121-L231 HydrophobicContact CD2-CB 3.97Å; F121-L231 HydrophobicContact CE2-CB 4.27Å; L227-L231 HydrophobicContact CD1-CD1 4.33Å; L227-L231 HydrophobicContact CD1-CG 4.22Å; L227-L231 HydrophobicContact CG-CD1 4.25Å; L227-L231 WeakPolarHBondContact O-CG 3.46Å; L227-L231 PolarHBondContact O-N 3.27Å; G228-L231 WeakPolarHBondContact O-CB 3.36Å; G228-L231 PolarHBondContact O-N 3.11Å; L231-I235 WeakPolarHBondContact O-CG1 3.46Å; L231-I235 PolarHBondContact O-N 3.46Å; L231-F243 HydrophobicContact CD2-CE2 4.43Å; L231-F243 HydrophobicContact CD2-CZ 3.89Å; L231-F243 HydrophobicContact CG-CZ 4.34Å
232M98.8Very high98.5Very high0 Ų035 Ų350%019%0.189CC..Hα-helixtrans-61.6-55.6175.5-177-76.8-70.100110.9F121 L125 F128 F156 G228 P229 R230 F234 I235 F236F121-M232 HydrophobicContact CD2-CB 3.75Å; F121-M232 VanDerWaalsContact CE2-CA 3.45Å; F121-M232 HydrophobicContact CE2-CB 3.76Å; F121-M232 HydrophobicContact CE2-CG 4.45Å; F121-M232 HydrophobicContact CG-CB 4.41Å; F121-M232 HydrophobicContact CZ-CB 4.4Å; L125-M232 HydrophobicContact CB-CG 4.19Å; L125-M232 HydrophobicContact CD1-CG 4.21Å; F128-M232 HydrophobicContact CB-CE 4.13Å; F128-M232 HydrophobicContact CB-SD 4.22Å; F128-M232 HydrophobicContact CG-SD 4.32Å; F156-M232 HydrophobicContact CB-CE 4.26Å; F156-M232 HydrophobicContact CD1-CE 3.51Å; F156-M232 HydrophobicContact CD2-CE 3.96Å; F156-M232 HydrophobicContact CE1-CE 3.74Å; F156-M232 HydrophobicContact CE2-CE 4.17Å; F156-M232 HydrophobicContact CG-CE 3.62Å; F156-M232 HydrophobicContact CZ-CE 4.07Å; G228-M232 PolarHBondContact O-N 3.04Å; G228-M232 VanDerWaalsContact O-N 3.11Å; P229-M232 WeakPolarHBondContact O-CB 3.48Å; P229-M232 PolarHBondContact O-N 2.84Å; R230-M232 VanDerWaalsContact C-N 3.28Å; R230-M232 PolarHBondContact O-N 3.29Å; M232-F234 VanDerWaalsContact C-N 3.25Å; M232-F234 PolarHBondContact O-N 2.83Å; M232-I235 PolarHBondContact O-N 3.26Å; M232-F236 HydrophobicContact CG-CD2 3.96Å; M232-F236 VanDerWaalsContact O-CD2 3.31Å; M232-F236 WeakPolarHBondContact O-CD2 3.3Å; M232-F236 PolarHBondContact O-N 3.24Å; M232-F236 HydrophobicContact SD-CB 4.09Å; M232-F236 HydrophobicContact SD-CD2 4.19Å; M232-F236 HydrophobicContact SD-CG 4.47Å
233I98.7Very high98.5Very high0 Ų036.9 Ų36.90%020%0.197CC..Hα-helixtrans-65.7-29.2-177.764.5168.2000112.8L149 F156 V157 P229 R230 I235 F236 G237 W238 G239 A242L149-I233 HydrophobicContact CD1-CD1 3.55Å; F156-I233 HydrophobicContact CB-CG2 3.93Å; F156-I233 HydrophobicContact CD2-CG2 3.72Å; F156-I233 HydrophobicContact CG-CG2 4.01Å; V157-I233 HydrophobicContact CG1-CD1 3.89Å; V157-I233 HydrophobicContact CG1-CG1 4.44Å; V157-I233 HydrophobicContact CG2-CD1 3.75Å; P229-I233 PolarHBondContact O-N 2.87Å; R230-I233 VanDerWaalsContact O-CG1 3.32Å; R230-I233 WeakPolarHBondContact O-CG1 3.25Å; R230-I233 PolarHBondContact O-N 3Å; I233-I235 VanDerWaalsContact C-N 3.29Å; I233-I235 PolarHBondContact O-N 3.42Å; I233-F236 PolarHBondContact O-N 3.27Å; I233-G237 PolarHBondContact O-N 3.12Å; I233-W238 HydrophobicContact CB-CB 4.02Å; I233-W238 HydrophobicContact CB-CD2 3.81Å; I233-W238 HydrophobicContact CB-CE3 3.65Å; I233-W238 HydrophobicContact CB-CG 3.98Å; I233-W238 HydrophobicContact CB-CZ3 4.39Å; I233-W238 HydrophobicContact CD1-CB 4.35Å; I233-W238 HydrophobicContact CD1-CG 4.3Å; I233-W238 HydrophobicContact CG1-CB 4.36Å; I233-W238 HydrophobicContact CG2-CD2 4.1Å; I233-W238 HydrophobicContact CG2-CE3 3.84Å; I233-W238 HydrophobicContact CG2-CZ3 4.11Å; I233-W238 WeakPolarHBondContact O-CB 3.24Å; I233-W238 PolarHBondContact O-N 3.25Å; I233-G239 PolarHBondContact O-N 3.44Å; I233-A242 HydrophobicContact CD1-CB 4.02Å; I233-A242 HydrophobicContact CG1-CB 3.83Å
234F98.7Very high98.4Very high81 Ų8138.4 Ų38.436%0.35521%0.207SC..Hα-helixtrans-57.5-43.4171.9172.3-104.7000111.4R230 M232 G239 N240 A242 F243R230-F234 WeakPolarHBondContact O-CB 3.41Å; R230-F234 PolarHBondContact O-N 2.86Å; M232-F234 VanDerWaalsContact C-N 3.25Å; M232-F234 PolarHBondContact O-N 2.83Å; F234-G239 WeakPolarHBondContact CD2-O 3.5Å; F234-G239 WeakPolarHBondContact O-CA 3.28Å; F234-N240 WeakPolarHBondContact CE2-OD1 3.44Å; F234-A242 HydrophobicContact CB-CB 3.8Å; F234-A242 HydrophobicContact CD2-CB 4.49Å; F234-F243 HydrophobicContact CB-CD2 4.35Å; F234-F243 HydrophobicContact CB-CE2 3.79Å; F234-F243 HydrophobicContact CD1-CE2 4.46Å; F234-F243 AromaticContact CD2-CD2 3.86Å; F234-F243 HydrophobicContact CD2-CD2 3.86Å; F234-F243 AromaticContact CD2-CE2 3.96Å; F234-F243 HydrophobicContact CD2-CE2 3.96Å; F234-F243 HydrophobicContact CE2-CD2 4.48Å; F234-F243 HydrophobicContact CG-CD2 4.2Å; F234-F243 AromaticContact CG-CE2 3.82Å; F234-F243 HydrophobicContact CG-CE2 3.82Å
235I98.6Very high98.4Very high105 Ų10538.9 Ų38.954%0.53821%0.212SC..Hα-helixtrans-79.7-39.9-179.9-63170.9000111.4F121 L231 M232 I233 G237F121-I235 HydrophobicContact CE2-CD1 4.1Å; F121-I235 HydrophobicContact CZ-CD1 4.32Å; L231-I235 WeakPolarHBondContact O-CG1 3.46Å; L231-I235 PolarHBondContact O-N 3.46Å; M232-I235 PolarHBondContact O-N 3.26Å; I233-I235 VanDerWaalsContact C-N 3.29Å; I233-I235 PolarHBondContact O-N 3.42Å; I235-G237 PolarHBondContact O-N 2.84Å
236F98Very high98.3Very high81 Ų8140.7 Ų40.736%0.35523%0.229SC..THydrogen-bonded Turntrans-102.133.1-167.2-69.1-83.4000114.5F121 L125 F128 M232 I233F121-F236 HydrophobicContact CZ-CE2 4.17Å; L125-F236 HydrophobicContact CD1-CD1 4.47Å; L125-F236 HydrophobicContact CD1-CD2 4.07Å; L125-F236 HydrophobicContact CD1-CE1 4.24Å; L125-F236 HydrophobicContact CD1-CE2 3.84Å; L125-F236 HydrophobicContact CD1-CG 4.39Å; L125-F236 HydrophobicContact CD1-CZ 3.93Å; F128-F236 HydrophobicContact CE1-CB 4.07Å; F128-F236 HydrophobicContact CE1-CD1 4.27Å; F128-F236 HydrophobicContact CE1-CG 4.43Å; F128-F236 HydrophobicContact CZ-CB 4.32Å; M232-F236 HydrophobicContact CG-CD2 3.96Å; M232-F236 VanDerWaalsContact O-CD2 3.31Å; M232-F236 WeakPolarHBondContact O-CD2 3.3Å; M232-F236 PolarHBondContact O-N 3.24Å; M232-F236 HydrophobicContact SD-CB 4.09Å; M232-F236 HydrophobicContact SD-CD2 4.19Å; M232-F236 HydrophobicContact SD-CG 4.47Å; I233-F236 PolarHBondContact O-N 3.27Å
237G96.9Very high98.2Very high52 Ų5246.9 Ų46.954%0.53626%0.262SS..THydrogen-bonded Turntrans124.3-19.9158.100000117.1I233 I235 G239I233-G237 PolarHBondContact O-N 3.12Å; I235-G237 PolarHBondContact O-N 2.84Å; G237-G239 VanDerWaalsContact C-N 3.31Å
238W98.1Very high98.2Very high10 Ų1051.8 Ų51.84%0.03828%0.279CS..SBendtrans-78-21.1174.2-73.7-105.5000112.1F128 I135 L147 L148 T152 G153 F156 I233F128-W238 HydrophobicContact CD2-CH2 4.32Å; F128-W238 HydrophobicContact CD2-CZ3 4.24Å; F128-W238 HydrophobicContact CE2-CH2 4.16Å; F128-W238 AromaticContact CE2-CZ3 3.92Å; F128-W238 HydrophobicContact CE2-CZ3 3.92Å; I135-W238 HydrophobicContact CG2-CH2 3.94Å; I135-W238 HydrophobicContact CG2-CZ2 4.31Å; L147-W238 HydrophobicContact CB-CD2 3.73Å; L147-W238 HydrophobicContact CB-CE3 4.16Å; L147-W238 HydrophobicContact CB-CG 4.06Å; L147-W238 HydrophobicContact CB-CH2 4.49Å; L147-W238 HydrophobicContact CB-CZ2 4.09Å; L147-W238 HydrophobicContact CD1-CD2 4.33Å; L147-W238 HydrophobicContact CD1-CE3 3.89Å; L147-W238 HydrophobicContact CD1-CH2 4.07Å; L147-W238 HydrophobicContact CD1-CZ2 4.49Å; L147-W238 HydrophobicContact CD1-CZ3 3.75Å; L147-W238 HydrophobicContact CD2-CH2 4.27Å; L147-W238 HydrophobicContact CD2-CZ2 4.22Å; L147-W238 HydrophobicContact CG-CZ2 4.5Å; L148-W238 PolarHBondContact O-NE1 2.99Å; T152-W238 VanDerWaalsContact OG1-CZ2 3.25Å; T152-W238 WeakPolarHBondContact OG1-CZ2 3.32Å; T152-W238 PolarHBondContact OG1-NE1 3.5Å; G153-W238 VanDerWaalsContact N-NE1 3.19Å; F156-W238 HydrophobicContact CD2-CH2 4.42Å; F156-W238 HydrophobicContact CE2-CH2 4.01Å; F156-W238 HydrophobicContact CE2-CZ2 4.46Å; I233-W238 HydrophobicContact CB-CB 4.02Å; I233-W238 HydrophobicContact CB-CD2 3.81Å; I233-W238 HydrophobicContact CB-CE3 3.65Å; I233-W238 HydrophobicContact CB-CG 3.98Å; I233-W238 HydrophobicContact CB-CZ3 4.39Å; I233-W238 HydrophobicContact CD1-CB 4.35Å; I233-W238 HydrophobicContact CD1-CG 4.3Å; I233-W238 HydrophobicContact CG1-CB 4.36Å; I233-W238 HydrophobicContact CG2-CD2 4.1Å; I233-W238 HydrophobicContact CG2-CE3 3.84Å; I233-W238 HydrophobicContact CG2-CZ3 4.11Å; I233-W238 WeakPolarHBondContact O-CB 3.24Å; I233-W238 PolarHBondContact O-N 3.25Å
239G98.1Very high98.2Very high25 Ų2551.9 Ų51.926%0.25828%0.279SS..THydrogen-bonded Turntrans60.4-147.5174.100000113.4I233 F234 G237 K241 A242I233-G239 PolarHBondContact O-N 3.44Å; F234-G239 WeakPolarHBondContact CD2-O 3.5Å; F234-G239 WeakPolarHBondContact O-CA 3.28Å; G237-G239 VanDerWaalsContact C-N 3.31Å; G239-K241 PolarHBondContact O-N 3.3Å; G239-A242 VanDerWaalsContact O-CB 3.26Å; G239-A242 WeakPolarHBondContact O-CB 3.4Å; G239-A242 PolarHBondContact O-N 3.39Å
240N98.2Very high98.1Very high122 Ų12254.8 Ų54.865%0.65229%0.292SS*.THydrogen-bonded Turntrans-56.6-21.3-175.7-68.5-26.3000114.4F234 A242 F243 S244F234-N240 WeakPolarHBondContact CE2-OD1 3.44Å; N240-A242 PolarHBondContact O-N 2.92Å; N240-F243 PolarHBondContact O-N 3.31Å; N240-S244 WeakPolarHBondContact O-CB 3.33Å; N240-S244 PolarHBondContact O-N 2.98Å; N240-S244 PolarHBondContact O-OG 2.89Å
241K97.7Very high98.1Very high131 Ų13159.2 Ų59.257%0.5731%0.309SS*.Hα-helixtrans-66.2-20.3176.9-68.1-64.5-177.3-176.60112.4L149 G239 F243 G245L149-K241 WeakPolarHBondContact CD2-O 3.22Å; G239-K241 PolarHBondContact O-N 3.3Å; K241-F243 PolarHBondContact O-N 3.22Å; K241-G245 VanDerWaalsContact O-CA 3.27Å; K241-G245 WeakPolarHBondContact O-CA 3.27Å; K241-G245 PolarHBondContact O-N 3.33Å
242A98.3Very high98.1Very high0 Ų056.1 Ų56.10%029%0.292CS..Hα-helixtrans-53.4-34.2170.400000113.3R230 I233 F234 G239 N240R230-A242 VanDerWaalsContact CD-O 3.28Å; R230-A242 WeakPolarHBondContact CD-O 3.25Å; R230-A242 HydrophobicContact CG-CB 4.14Å; R230-A242 WeakPolarHBondContact CG-O 3.13Å; R230-A242 PolarHBondContact NH1-O 2.83Å; I233-A242 HydrophobicContact CD1-CB 4.02Å; I233-A242 HydrophobicContact CG1-CB 3.83Å; F234-A242 HydrophobicContact CB-CB 3.8Å; F234-A242 HydrophobicContact CD2-CB 4.49Å; G239-A242 VanDerWaalsContact O-CB 3.26Å; G239-A242 WeakPolarHBondContact O-CB 3.4Å; G239-A242 PolarHBondContact O-N 3.39Å; N240-A242 PolarHBondContact O-N 2.92Å
243F98.6Very high98.1Very high50 Ų5056.1 Ų56.122%0.21929%0.292CS..Hα-helixtrans-114-30.1-178.7-65.4-78.8000113.8L227 R230 L231 F234 N240 K241 F250L227-F243 HydrophobicContact CD1-CE1 4.15Å; L227-F243 HydrophobicContact CD1-CZ 4.47Å; R230-F243 HydrophobicContact CG-CD1 4.24Å; R230-F243 HydrophobicContact CG-CE1 3.83Å; R230-F243 HydrophobicContact CG-CE2 4.39Å; R230-F243 HydrophobicContact CG-CZ 3.91Å; L231-F243 HydrophobicContact CD2-CE2 4.43Å; L231-F243 HydrophobicContact CD2-CZ 3.89Å; L231-F243 HydrophobicContact CG-CZ 4.34Å; F234-F243 HydrophobicContact CB-CD2 4.35Å; F234-F243 HydrophobicContact CB-CE2 3.79Å; F234-F243 HydrophobicContact CD1-CE2 4.46Å; F234-F243 AromaticContact CD2-CD2 3.86Å; F234-F243 HydrophobicContact CD2-CD2 3.86Å; F234-F243 AromaticContact CD2-CE2 3.96Å; F234-F243 HydrophobicContact CD2-CE2 3.96Å; F234-F243 HydrophobicContact CE2-CD2 4.48Å; F234-F243 HydrophobicContact CG-CD2 4.2Å; F234-F243 AromaticContact CG-CE2 3.82Å; F234-F243 HydrophobicContact CG-CE2 3.82Å; N240-F243 PolarHBondContact O-N 3.31Å; K241-F243 PolarHBondContact O-N 3.22Å; F243-F250 HydrophobicContact CB-CD1 4.41Å; F243-F250 HydrophobicContact CD1-CB 4.16Å; F243-F250 HydrophobicContact CD1-CD1 4.48Å; F243-F250 AromaticContact CD1-CD2 3.77Å; F243-F250 HydrophobicContact CD1-CD2 3.77Å; F243-F250 HydrophobicContact CD1-CE2 4.3Å; F243-F250 AromaticContact CD1-CG 3.86Å; F243-F250 HydrophobicContact CD1-CG 3.86Å; F243-F250 HydrophobicContact CE1-CD2 4.33Å; F243-F250 WeakPolarHBondContact O-CD1 3.32Å
244S98.3Very high98.1Very high35 Ų3557.7 Ų57.725%0.24530%0.301CS..Hα-helixtrans-90.1-11.2177.9610000114N240N240-S244 WeakPolarHBondContact O-CB 3.33Å; N240-S244 PolarHBondContact O-N 2.98Å; N240-S244 PolarHBondContact O-OG 2.89Å
245G97.1Very high98.1Very high10 Ų1056.7 Ų56.710%0.10330%0.301CS..Hα-helixtrans-63.8153.1-179.100000113.2K241 N247 Y248 F249K241-G245 VanDerWaalsContact O-CA 3.27Å; K241-G245 WeakPolarHBondContact O-CA 3.27Å; K241-G245 PolarHBondContact O-N 3.33Å; G245-N247 PolarHBondContact O-N 3.13Å; G245-Y248 PolarHBondContact O-N 2.97Å; G245-Y248 VanDerWaalsContact O-N 3.13Å; G245-F249 PolarHBondContact O-N 3.39Å
246A96.8Very high98.1Very high46 Ų4651.7 Ų51.738%0.3828%0.275SS..Hα-helixtrans49.242.4179.700000113.8P160 H164 F249P160-A246 HydrophobicContact CG-CB 3.5Å; H164-A246 PolarHBondContact CE1-O 3.48Å; H164-A246 VanDerWaalsContact CE1-O 3.26Å; H164-A246 PolarHBondContact NE2-O 3.49Å; A246-F249 HydrophobicContact CB-CB 3.88Å
247N97.5Very high98.2Very high130 Ų13047.9 Ų47.970%0.69526%0.258SS*.Hα-helixtrans60.447-179.3-147.917.3000113.5H164 G245H164-N247 PolarHBondContact CE1-O 2.97Å; G245-N247 PolarHBondContact O-N 3.13Å
248Y98.2Very high98.3Very high142 Ų14248.4 Ų48.456%0.55725%0.245SC*.Hα-helixtrans65.139.5-177.4-54.8-86.4000114.5G245 F250G245-Y248 PolarHBondContact O-N 2.97Å; G245-Y248 VanDerWaalsContact O-N 3.13Å; Y248-F250 HydrophobicContact CD1-CE1 4.31Å; Y248-F250 PolarHBondContact O-N 3.47Å; Y248-F250 VanDerWaalsContact O-N 3.1Å
249F98.4Very high98.3Very high2 Ų251.3 Ų51.31%0.00926%0.26CS..G310 helixtrans-59-23.9-179.3178.1-101.1000114.8P160 C167 A217 G245 A246 W251 I252 P253P160-F249 HydrophobicContact CB-CD2 3.65Å; P160-F249 HydrophobicContact CB-CE2 3.63Å; P160-F249 HydrophobicContact CB-CG 4.34Å; P160-F249 HydrophobicContact CB-CZ 4.28Å; P160-F249 HydrophobicContact CG-CB 4.24Å; P160-F249 HydrophobicContact CG-CD2 3.64Å; P160-F249 HydrophobicContact CG-CE2 4.09Å; P160-F249 HydrophobicContact CG-CG 3.88Å; C167-F249 HydrophobicContact CB-CE2 3.67Å; C167-F249 HydrophobicContact CB-CZ 4.3Å; A217-F249 HydrophobicContact CB-CZ 4.25Å; G245-F249 PolarHBondContact O-N 3.39Å; A246-F249 HydrophobicContact CB-CB 3.88Å; F249-W251 PolarHBondContact O-N 3.49Å; F249-I252 HydrophobicContact CD2-CB 4.33Å; F249-I252 HydrophobicContact CD2-CD1 3.72Å; F249-I252 HydrophobicContact CD2-CG1 4.46Å; F249-I252 HydrophobicContact CE2-CB 4.01Å; F249-I252 HydrophobicContact CE2-CD1 3.75Å; F249-I252 HydrophobicContact CE2-CG1 4.44Å; F249-I252 HydrophobicContact CE2-CG2 4.06Å; F249-I252 HydrophobicContact CZ-CB 4.29Å; F249-I252 HydrophobicContact CZ-CG2 4.2Å; F249-I252 WeakPolarHBondContact O-CB 3.45Å; F249-I252 PolarHBondContact O-N 3.3Å; F249-P253 HydrophobicContact CE1-CG 4.17Å; F249-P253 VanDerWaalsContact O-CD 3.29Å; F249-P253 WeakPolarHBondContact O-CD 3.4Å
250F98.4Very high98.3Very high61 Ų6150.1 Ų50.127%0.26825%0.248SC..G310 helixtrans-52.2-27-169.178.5-82.1000115.8F243 Y248 I252 P253 I254F243-F250 HydrophobicContact CB-CD1 4.41Å; F243-F250 HydrophobicContact CD1-CB 4.16Å; F243-F250 HydrophobicContact CD1-CD1 4.48Å; F243-F250 AromaticContact CD1-CD2 3.77Å; F243-F250 HydrophobicContact CD1-CD2 3.77Å; F243-F250 HydrophobicContact CD1-CE2 4.3Å; F243-F250 AromaticContact CD1-CG 3.86Å; F243-F250 HydrophobicContact CD1-CG 3.86Å; F243-F250 HydrophobicContact CE1-CD2 4.33Å; F243-F250 WeakPolarHBondContact O-CD1 3.32Å; Y248-F250 HydrophobicContact CD1-CE1 4.31Å; Y248-F250 PolarHBondContact O-N 3.47Å; Y248-F250 VanDerWaalsContact O-N 3.1Å; F250-I252 VanDerWaalsContact C-N 3.34Å; F250-P253 WeakPolarHBondContact O-CD 3.38Å; F250-P253 WeakPolarHBondContact O-CG 3.25Å; F250-I254 HydrophobicContact CD2-CD1 4.11Å; F250-I254 WeakPolarHBondContact O-CD1 3.4Å; F250-I254 WeakPolarHBondContact O-CG1 3.27Å
251W98.5Very high98.4Very high96 Ų9644.3 Ų44.336%0.36422%0.217SC..G310 helixtrans-74.9-25.5-178.170.3-96.9000112.2F168 F249 I254 V255F168-W251 AromaticContact CD2-CH2 3.96Å; F168-W251 HydrophobicContact CD2-CH2 3.96Å; F168-W251 AromaticContact CD2-CZ3 3.72Å; F168-W251 HydrophobicContact CD2-CZ3 3.72Å; F168-W251 HydrophobicContact CE2-CH2 4.46Å; F168-W251 AromaticContact CE2-CZ3 3.93Å; F168-W251 HydrophobicContact CE2-CZ3 3.93Å; F249-W251 PolarHBondContact O-N 3.49Å; W251-I254 PolarHBondContact O-N 3.34Å; W251-V255 HydrophobicContact CE3-CB 4Å; W251-V255 HydrophobicContact CE3-CG2 4.05Å; W251-V255 HydrophobicContact CZ3-CB 4.35Å; W251-V255 WeakPolarHBondContact O-CG2 3.49Å; W251-V255 PolarHBondContact O-N 2.83Å
252I98.8Very high98.4Very high0 Ų039.8 Ų39.80%020%0.2CC..Hα-helixtrans-62.7-52.8-179.5-68.1174.6000112.4H164 C167 F168 Q171 F249 F250 I254 V255 G256 P257H164-I252 HydrophobicContact CB-CD1 3.78Å; H164-I252 WeakPolarHBondContact O-CD1 3.22Å; C167-I252 HydrophobicContact CB-CD1 4.39Å; C167-I252 HydrophobicContact CB-CG2 4.31Å; F168-I252 HydrophobicContact CB-CG2 4.35Å; Q171-I252 HydrophobicContact CB-CG2 4.49Å; Q171-I252 HydrophobicContact CG-CG2 4.01Å; F249-I252 HydrophobicContact CD2-CB 4.33Å; F249-I252 HydrophobicContact CD2-CD1 3.72Å; F249-I252 HydrophobicContact CD2-CG1 4.46Å; F249-I252 HydrophobicContact CE2-CB 4.01Å; F249-I252 HydrophobicContact CE2-CD1 3.75Å; F249-I252 HydrophobicContact CE2-CG1 4.44Å; F249-I252 HydrophobicContact CE2-CG2 4.06Å; F249-I252 HydrophobicContact CZ-CB 4.29Å; F249-I252 HydrophobicContact CZ-CG2 4.2Å; F249-I252 WeakPolarHBondContact O-CB 3.45Å; F249-I252 PolarHBondContact O-N 3.3Å; F250-I252 VanDerWaalsContact C-N 3.34Å; I252-I254 PolarHBondContact O-N 3.48Å; I252-V255 PolarHBondContact O-N 3.45Å; I252-G256 PolarHBondContact O-N 3.45Å; I252-P257 WeakPolarHBondContact O-CD 3.45Å
253P98.5Very high98.5Very high0 Ų043.2 Ų43.20%022%0.218CC..Hα-helixtrans-69.10.2176.830.2-38000113.8T158 A220 D226 F249 F250 P257T158-P253 WeakPolarHBondContact OG1-CB 3.25Å; A220-P253 HydrophobicContact CB-CB 3.36Å; D226-P253 HydrophobicContact CB-CB 3.88Å; D226-P253 HydrophobicContact CB-CG 4.23Å; D226-P253 VanDerWaalsContact CG-CG 3.44Å; D226-P253 VanDerWaalsContact OD2-CG 3.29Å; D226-P253 WeakPolarHBondContact OD2-CG 3.4Å; F249-P253 HydrophobicContact CE1-CG 4.17Å; F249-P253 VanDerWaalsContact O-CD 3.29Å; F249-P253 WeakPolarHBondContact O-CD 3.4Å; F250-P253 WeakPolarHBondContact O-CD 3.38Å; F250-P253 WeakPolarHBondContact O-CG 3.25Å; P253-P257 WeakPolarHBondContact O-CG 3.25Å
254I98.6Very high98.5Very high33 Ų3340.9 Ų40.917%0.16921%0.208CC..Hα-helixtrans-101.2-57.3172.8-60.2172000109.9P223 L227 F250 W251 I252 Y258P223-I254 HydrophobicContact CB-CG2 4.43Å; L227-I254 HydrophobicContact CB-CD1 4.4Å; L227-I254 HydrophobicContact CD1-CD1 4.15Å; L227-I254 HydrophobicContact CD2-CD1 4.48Å; F250-I254 HydrophobicContact CD2-CD1 4.11Å; F250-I254 WeakPolarHBondContact O-CD1 3.4Å; F250-I254 WeakPolarHBondContact O-CG1 3.27Å; W251-I254 PolarHBondContact O-N 3.34Å; I252-I254 PolarHBondContact O-N 3.48Å; I254-Y258 HydrophobicContact CG2-CE2 4.36Å; I254-Y258 WeakPolarHBondContact O-CD2 3.45Å
255V98.8Very high98.5Very high60 Ų6039.2 Ų39.236%0.36420%0.196SC..Hα-helixtrans-77-43.9-172.6178.20000112F168 W251 I252 Y258 I259F168-V255 HydrophobicContact CE2-CG1 4.3Å; W251-V255 HydrophobicContact CE3-CB 4Å; W251-V255 HydrophobicContact CE3-CG2 4.05Å; W251-V255 HydrophobicContact CZ3-CB 4.35Å; W251-V255 WeakPolarHBondContact O-CG2 3.49Å; W251-V255 PolarHBondContact O-N 2.83Å; I252-V255 PolarHBondContact O-N 3.45Å; V255-Y258 PolarHBondContact O-N 2.92Å; V255-I259 HydrophobicContact CG1-CD1 3.82Å; V255-I259 HydrophobicContact CG1-CG1 4.49Å; V255-I259 PolarHBondContact O-N 3.35Å
256G98.8Very high98.6Very high0 Ų042 Ų420%021%0.208CC..Hα-helixtrans-54.3-49.5-179.300000112.3I252 Y258 I259 G260I252-G256 PolarHBondContact O-N 3.45Å; G256-Y258 PolarHBondContact O-N 2.9Å; G256-I259 PolarHBondContact O-N 3.25Å; G256-G260 PolarHBondContact O-N 3.31Å
257P98.9Very high98.7Very high0 Ų044.1 Ų44.10%021%0.212CC..Hα-helixtrans-58.8-41.3176.3-31.940.3000115.3A93 T175 P223 I252 P253 I259 G260 A261A93-P257 HydrophobicContact CB-CB 3.98Å; A93-P257 WeakPolarHBondContact CB-O 3.17Å; T175-P257 HydrophobicContact CG2-CB 3.95Å; T175-P257 VanDerWaalsContact CG2-O 3.26Å; T175-P257 WeakPolarHBondContact CG2-O 3.42Å; T175-P257 WeakPolarHBondContact OG1-CA 3.29Å; P223-P257 HydrophobicContact CG-CB 4.09Å; I252-P257 WeakPolarHBondContact O-CD 3.45Å; P253-P257 WeakPolarHBondContact O-CG 3.25Å; P257-I259 PolarHBondContact O-N 3.26Å; P257-G260 PolarHBondContact O-N 3.33Å; P257-A261 VanDerWaalsContact O-CB 3.28Å; P257-A261 WeakPolarHBondContact O-CB 3.33Å; P257-A261 PolarHBondContact O-N 2.78Å
258Y98.9Very high98.7Very high64 Ų6438.2 Ų38.225%0.25118%0.18SC..Hα-helixtrans-60.3-46.1177.2-80.1-63.9000112P92 A93 L96 P223 I254 V255 G256 V262P92-Y258 HydrophobicContact CB-CE1 4Å; P92-Y258 WeakPolarHBondContact CB-OH 3.44Å; A93-Y258 HydrophobicContact CB-CD1 4.05Å; A93-Y258 HydrophobicContact CB-CE1 4.49Å; A93-Y258 HydrophobicContact CB-CG 4.47Å; L96-Y258 HydrophobicContact CB-CD1 4.11Å; L96-Y258 HydrophobicContact CB-CE1 4.24Å; L96-Y258 HydrophobicContact CD2-CD1 3.56Å; L96-Y258 HydrophobicContact CD2-CE1 4.22Å; L96-Y258 HydrophobicContact CD2-CG 4.36Å; L96-Y258 HydrophobicContact CG-CD1 4.49Å; P223-Y258 HydrophobicContact CB-CE2 4.05Å; P223-Y258 HydrophobicContact CG-CD2 3.95Å; P223-Y258 HydrophobicContact CG-CE1 4.45Å; P223-Y258 HydrophobicContact CG-CE2 3.65Å; P223-Y258 HydrophobicContact CG-CG 4.46Å; I254-Y258 HydrophobicContact CG2-CE2 4.36Å; I254-Y258 WeakPolarHBondContact O-CD2 3.45Å; V255-Y258 PolarHBondContact O-N 2.92Å; G256-Y258 PolarHBondContact O-N 2.9Å; Y258-V262 WeakPolarHBondContact O-CG2 3.24Å; Y258-V262 PolarHBondContact O-N 2.96Å
259I98.9Very high98.7Very high70 Ų7032.4 Ų32.436%0.35916%0.158SC..Hα-helixtrans-63.8-49.2178.6-65.5169.8000109.9F168 V172 V255 G256 P257 A261 V262 I263F168-I259 HydrophobicContact CE2-CD1 4.11Å; F168-I259 HydrophobicContact CZ-CD1 3.68Å; V172-I259 HydrophobicContact CG1-CG2 4.23Å; V172-I259 HydrophobicContact CG2-CB 4.24Å; V172-I259 HydrophobicContact CG2-CG2 4.12Å; V255-I259 HydrophobicContact CG1-CD1 3.82Å; V255-I259 HydrophobicContact CG1-CG1 4.49Å; V255-I259 PolarHBondContact O-N 3.35Å; G256-I259 PolarHBondContact O-N 3.25Å; P257-I259 PolarHBondContact O-N 3.26Å; I259-A261 PolarHBondContact O-N 3.48Å; I259-V262 PolarHBondContact O-N 2.83Å; I259-I263 HydrophobicContact CG2-CD1 3.74Å; I259-I263 WeakPolarHBondContact O-CG1 3.43Å; I259-I263 PolarHBondContact O-N 2.86Å
260G98.9Very high98.6Very high0 Ų037.9 Ų37.90%019%0.185CC..Hα-helixtrans-57.6-48.5178.500000112.6V172 A176 G256 P257 V262 I263 G264V172-G260 WeakPolarHBondContact O-CA 3.36Å; A176-G260 WeakPolarHBondContact CA-O 3.33Å; A176-G260 VanDerWaalsContact CB-O 3.3Å; A176-G260 WeakPolarHBondContact CB-O 3.4Å; A176-G260 PolarHBondContact N-O 3.46Å; G256-G260 PolarHBondContact O-N 3.31Å; P257-G260 PolarHBondContact O-N 3.33Å; G260-V262 PolarHBondContact O-N 3Å; G260-I263 PolarHBondContact O-N 3.01Å; G260-G264 PolarHBondContact O-N 3.23Å
261A98.9Very high98.6Very high0 Ų039 Ų390%020%0.198CC..Hα-helixtrans-60.3-44.5-178.500000112.6A93 A97 T175 T179 P257 I259 G264 G265A93-A261 VanDerWaalsContact C-CB 3.5Å; A93-A261 HydrophobicContact CB-CB 3.73Å; A93-A261 VanDerWaalsContact O-CB 3.28Å; A93-A261 WeakPolarHBondContact O-CB 3.34Å; A97-A261 HydrophobicContact CB-CB 3.91Å; A97-A261 VanDerWaalsContact CB-O 3.29Å; A97-A261 WeakPolarHBondContact CB-O 3.34Å; T175-A261 HydrophobicContact CG2-CB 3.89Å; T179-A261 HydrophobicContact CG2-CB 4.5Å; T179-A261 WeakPolarHBondContact CG2-O 3.32Å; T179-A261 VanDerWaalsContact OG1-CA 3.25Å; T179-A261 WeakPolarHBondContact OG1-CA 3.49Å; T179-A261 VanDerWaalsContact OG1-CB 3.28Å; T179-A261 WeakPolarHBondContact OG1-CB 3.41Å; P257-A261 VanDerWaalsContact O-CB 3.28Å; P257-A261 WeakPolarHBondContact O-CB 3.33Å; P257-A261 PolarHBondContact O-N 2.78Å; I259-A261 PolarHBondContact O-N 3.48Å; A261-G264 PolarHBondContact O-N 3.33Å; A261-G265 PolarHBondContact O-N 3.03Å
262V98.9Very high98.6Very high36 Ų3638.3 Ų38.322%0.21820%0.2CC..Hα-helixtrans-63.8-45.7178172.30000110.9L96 V100 Y258 I259 G260 G264 G265 I266L96-V262 HydrophobicContact CD2-CG2 3.88Å; L96-V262 HydrophobicContact CG-CG2 4.03Å; V100-V262 HydrophobicContact CG1-CG1 4.35Å; V100-V262 HydrophobicContact CG2-CG2 4.3Å; Y258-V262 WeakPolarHBondContact O-CG2 3.24Å; Y258-V262 PolarHBondContact O-N 2.96Å; I259-V262 PolarHBondContact O-N 2.83Å; G260-V262 PolarHBondContact O-N 3Å; V262-G264 PolarHBondContact O-N 2.94Å; V262-G265 PolarHBondContact O-N 3.42Å; V262-I266 HydrophobicContact CG1-CD1 3.74Å; V262-I266 HydrophobicContact CG1-CG1 4.47Å; V262-I266 WeakPolarHBondContact O-CB 3.38Å; V262-I266 WeakPolarHBondContact O-CG1 3.19Å; V262-I266 PolarHBondContact O-N 3.18Å
263I98.9Very high98.4Very high73 Ų7338.3 Ų38.337%0.37420%0.2SC..Hα-helixtrans-58.1-50175.8-69.8170.8000110.4V172 A176 I259 G260 G265 I266 L267V172-I263 HydrophobicContact CG1-CD1 4.15Å; A176-I263 HydrophobicContact CB-CG2 4.47Å; I259-I263 HydrophobicContact CG2-CD1 3.74Å; I259-I263 WeakPolarHBondContact O-CG1 3.43Å; I259-I263 PolarHBondContact O-N 2.86Å; G260-I263 PolarHBondContact O-N 3.01Å; I263-G265 PolarHBondContact O-N 3.04Å; I263-I266 PolarHBondContact O-N 2.9Å; I263-L267 HydrophobicContact CG2-CD1 3.63Å; I263-L267 HydrophobicContact CG2-CG 4.2Å; I263-L267 WeakPolarHBondContact O-CB 3.42Å; I263-L267 VanDerWaalsContact O-CG 3.28Å; I263-L267 WeakPolarHBondContact O-CG 3.45Å; I263-L267 PolarHBondContact O-N 3.41Å
264G98.9Very high98.2Very high1 Ų142.8 Ų42.81%0.0122%0.223CC..Hα-helixtrans-61.3-43.9-179.500000113.2A176 A180 G260 A261 V262 L267 Y268A176-G264 WeakPolarHBondContact O-CA 3.4Å; A180-G264 WeakPolarHBondContact CB-O 3.43Å; G260-G264 PolarHBondContact O-N 3.23Å; A261-G264 PolarHBondContact O-N 3.33Å; V262-G264 PolarHBondContact O-N 2.94Å; G264-L267 PolarHBondContact O-N 3.5Å; G264-Y268 WeakPolarHBondContact O-CB 3.37Å; G264-Y268 PolarHBondContact O-N 2.97Å
265G98.8Very high98Very high0 Ų047.3 Ų47.30%024%0.243CC..Hα-helixtrans-62.7-46.2177.500000112.8F183 A261 V262 I263 Y268 E269F183-G265 VanDerWaalsContact CE2-CA 3.46Å; A261-G265 PolarHBondContact O-N 3.03Å; V262-G265 PolarHBondContact O-N 3.42Å; I263-G265 PolarHBondContact O-N 3.04Å; G265-Y268 PolarHBondContact O-N 3.12Å; G265-E269 PolarHBondContact O-N 3.48Å
266I98.8Very high97.8Very high67 Ų6746.6 Ų46.634%0.34424%0.237SC..Hα-helixtrans-64.6-47.1177.2-69.4171.7000110.9V100 V262 I263 Y268 E269 M270V100-I266 HydrophobicContact CG1-CD1 4.3Å; V100-I266 HydrophobicContact CG1-CG1 4.37Å; V262-I266 HydrophobicContact CG1-CD1 3.74Å; V262-I266 HydrophobicContact CG1-CG1 4.47Å; V262-I266 WeakPolarHBondContact O-CB 3.38Å; V262-I266 WeakPolarHBondContact O-CG1 3.19Å; V262-I266 PolarHBondContact O-N 3.18Å; I263-I266 PolarHBondContact O-N 2.9Å; I266-Y268 VanDerWaalsContact C-N 3.31Å; I266-Y268 PolarHBondContact O-N 3.12Å; I266-E269 PolarHBondContact O-N 3.11Å; I266-M270 HydrophobicContact CG2-CG 4.05Å; I266-M270 HydrophobicContact CG2-SD 3.57Å; I266-M270 VanDerWaalsContact CG2-SD 3.57Å; I266-M270 WeakPolarHBondContact O-CB 3.17Å; I266-M270 WeakPolarHBondContact O-CG 3.31Å; I266-M270 PolarHBondContact O-N 3Å
267L98.6Very high97.3Very high91 Ų9154 Ų5448%0.47628%0.276SS..Hα-helixtrans-60.8-40.8179.9-75.8176.6000111.7I263 G264 M270 T271I263-L267 HydrophobicContact CG2-CD1 3.63Å; I263-L267 HydrophobicContact CG2-CG 4.2Å; I263-L267 WeakPolarHBondContact O-CB 3.42Å; I263-L267 VanDerWaalsContact O-CG 3.28Å; I263-L267 WeakPolarHBondContact O-CG 3.45Å; I263-L267 PolarHBondContact O-N 3.41Å; G264-L267 PolarHBondContact O-N 3.5Å; L267-M270 PolarHBondContact O-N 3.39Å; L267-T271 WeakPolarHBondContact O-CB 3.42Å; L267-T271 WeakPolarHBondContact O-CG2 3.35Å; L267-T271 PolarHBondContact O-N 3.49Å; L267-T271 PolarHBondContact O-OG1 2.98Å
268Y98.6Very high96.5Very high7 Ų759.6 Ų59.63%0.02730%0.297CS..Hα-helixtrans-58.8-51.6174.4173.2-97.5000111.6F183 A184 D187 G264 G265 I266 M270 T271 I272 G273F183-Y268 HydrophobicContact CB-CD1 3.45Å; F183-Y268 VanDerWaalsContact CB-CD1 3.45Å; F183-Y268 HydrophobicContact CB-CD2 4.44Å; F183-Y268 HydrophobicContact CB-CE1 3.78Å; F183-Y268 HydrophobicContact CB-CG 3.81Å; F183-Y268 HydrophobicContact CD2-CD1 4.1Å; F183-Y268 HydrophobicContact CG-CD1 4.3Å; A184-Y268 HydrophobicContact CB-CD2 3.96Å; A184-Y268 HydrophobicContact CB-CE2 3.49Å; A184-Y268 VanDerWaalsContact CB-CE2 3.49Å; D187-Y268 HydrophobicContact CB-CE1 4.46Å; D187-Y268 WeakPolarHBondContact CB-OH 3.35Å; D187-Y268 PolarHBondContact OD2-OH 3.29Å; D187-Y268 VanDerWaalsContact OD2-OH 3.13Å; G264-Y268 WeakPolarHBondContact O-CB 3.37Å; G264-Y268 PolarHBondContact O-N 2.97Å; G265-Y268 PolarHBondContact O-N 3.12Å; I266-Y268 VanDerWaalsContact C-N 3.31Å; I266-Y268 PolarHBondContact O-N 3.12Å; Y268-M270 PolarHBondContact O-N 2.79Å; Y268-T271 PolarHBondContact O-N 3.37Å; Y268-I272 HydrophobicContact CD2-CB 4.16Å; Y268-I272 HydrophobicContact CD2-CD1 4.19Å; Y268-I272 HydrophobicContact CE2-CB 3.83Å; Y268-I272 HydrophobicContact CE2-CD1 4.15Å; Y268-I272 HydrophobicContact CE2-CG2 3.77Å; Y268-I272 WeakPolarHBondContact O-CA 3.47Å; Y268-I272 PolarHBondContact O-N 3.23Å; Y268-G273 PolarHBondContact O-N 2.95Å
269E97.4Very high95Very high19 Ų1964.7 Ų64.79%0.08932%0.321CS..Hα-helixtrans-61.3-47.1179.7-68-63.3143.600110.9V101 K103 G265 I266 T271 G273 I274 R278V101-E269 HydrophobicContact CB-CG 4.03Å; V101-E269 HydrophobicContact CG1-CG 3.95Å; K103-E269 WeakPolarHBondContact CE-OE1 3.24Å; K103-E269 IonicContact NZ-OE1 3.1Å; K103-E269 PolarHBondContact NZ-OE1 2.77Å; G265-E269 PolarHBondContact O-N 3.48Å; I266-E269 PolarHBondContact O-N 3.11Å; E269-T271 VanDerWaalsContact C-N 3.32Å; E269-T271 PolarHBondContact O-N 2.96Å; E269-G273 PolarHBondContact O-N 2.58Å; E269-I274 HydrophobicContact CB-CG2 4.26Å; E269-I274 VanDerWaalsContact O-CG1 3.25Å; E269-I274 WeakPolarHBondContact O-CG1 3.22Å; E269-I274 WeakPolarHBondContact O-CG2 3.38Å; E269-I274 PolarHBondContact O-N 2.97Å; E269-R278 IonicContact OE2-CZ 3.86Å; E269-R278 IonicContact OE2-NH1 3.48Å; E269-R278 PolarHBondContact OE2-NH1 3.33Å; E269-R278 IonicContact OE2-NH2 2.75Å; E269-R278 PolarHBondContact OE2-NH2 3.37Å
270M98Very high93Very high118 Ų11865.6 Ų65.658%0.58133%0.334SS*.Hα-helixtrans-64.7-30.7-177.6-73.6-176.868.300114.3I266 L267 Y268 H275I266-M270 HydrophobicContact CG2-CG 4.05Å; I266-M270 HydrophobicContact CG2-SD 3.57Å; I266-M270 VanDerWaalsContact CG2-SD 3.57Å; I266-M270 WeakPolarHBondContact O-CB 3.17Å; I266-M270 WeakPolarHBondContact O-CG 3.31Å; I266-M270 PolarHBondContact O-N 3Å; L267-M270 PolarHBondContact O-N 3.39Å; Y268-M270 PolarHBondContact O-N 2.79Å; M270-H275 PolarHBondContact O-CE1 2.91Å
271T98.1Very high90.7Very high85 Ų8572.5 Ų72.552%0.52137%0.37SS..Hα-helixtrans-100.3-34.7-174.358.10000112.7L267 Y268 E269 H275L267-T271 WeakPolarHBondContact O-CB 3.42Å; L267-T271 WeakPolarHBondContact O-CG2 3.35Å; L267-T271 PolarHBondContact O-N 3.49Å; L267-T271 PolarHBondContact O-OG1 2.98Å; Y268-T271 PolarHBondContact O-N 3.37Å; E269-T271 VanDerWaalsContact C-N 3.32Å; E269-T271 PolarHBondContact O-N 2.96Å; T271-H275 PolarHBondContact O-ND1 3.24Å
272I97.2Very high88.2Confident80 Ų8081 Ų8141%0.4141%0.408SS..THydrogen-bonded Turntrans-124.8-60.1-173.6-59.4171.2000110.3Y268 I274 H275 L276Y268-I272 HydrophobicContact CD2-CB 4.16Å; Y268-I272 HydrophobicContact CD2-CD1 4.19Å; Y268-I272 HydrophobicContact CE2-CB 3.83Å; Y268-I272 HydrophobicContact CE2-CD1 4.15Å; Y268-I272 HydrophobicContact CE2-CG2 3.77Å; Y268-I272 WeakPolarHBondContact O-CA 3.47Å; Y268-I272 PolarHBondContact O-N 3.23Å; I272-I274 PolarHBondContact O-N 3.39Å; I272-H275 WeakPolarHBondContact O-CA 3.39Å; I272-H275 WeakPolarHBondContact O-CB 3.34Å; I272-H275 PolarHBondContact O-N 3.38Å; I272-L276 HydrophobicContact CG2-CD1 4.22Å; I272-L276 HydrophobicContact CG2-CD2 4.32Å; I272-L276 HydrophobicContact CG2-CG 4.25Å; I272-L276 PolarHBondContact O-N 3.09Å
273G95Very high85.7Confident0 Ų085 Ų850%043%0.432CS..G310 helixtrans-57.8-43.7-164.300000115.1Y268 E269 H275Y268-G273 PolarHBondContact O-N 2.95Å; E269-G273 PolarHBondContact O-N 2.58Å; G273-H275 PolarHBondContact O-N 3.41Å
274I94.1Very high83.1Confident94 Ų9486.9 Ų86.948%0.48245%0.447SS..G310 helixtrans-75-13.2178.372.2-173.6000113.6E269 I272E269-I274 HydrophobicContact CB-CG2 4.26Å; E269-I274 VanDerWaalsContact O-CG1 3.25Å; E269-I274 WeakPolarHBondContact O-CG1 3.22Å; E269-I274 WeakPolarHBondContact O-CG2 3.38Å; E269-I274 PolarHBondContact O-N 2.97Å; I272-I274 PolarHBondContact O-N 3.39Å
275H95.2Very high80.3Confident128 Ų12893.9 Ų93.959%0.59348%0.484SS*.G310 helixtrans-98.2-5-179.5-55.8136.4000113.1M270 T271 I272 G273M270-H275 PolarHBondContact O-CE1 2.91Å; T271-H275 PolarHBondContact O-ND1 3.24Å; I272-H275 WeakPolarHBondContact O-CA 3.39Å; I272-H275 WeakPolarHBondContact O-CB 3.34Å; I272-H275 PolarHBondContact O-N 3.38Å; G273-H275 PolarHBondContact O-N 3.41Å
276L94.1Very high77.7Confident45 Ų4599.7 Ų99.724%0.23652%0.519CS..SBendtrans-75.4148.8172.8-63.9174000110.3D187 N189 I272 R278D187-L276 HydrophobicContact CB-CD1 4.44Å; N189-L276 HydrophobicContact CB-CB 3.86Å; N189-L276 HydrophobicContact CB-CD1 4.16Å; I272-L276 HydrophobicContact CG2-CD1 4.22Å; I272-L276 HydrophobicContact CG2-CD2 4.32Å; I272-L276 HydrophobicContact CG2-CG 4.25Å; I272-L276 PolarHBondContact O-N 3.09Å; L276-R278 VanDerWaalsContact C-N 3.32Å; L276-R278 PolarHBondContact O-N 2.82Å
277D88Confident74.9Confident155 Ų155103.9 Ų103.983%0.82954%0.542SS*.  trans-6491.1175.3-68-31.4000110.2
278R81.4Confident72Confident118 Ų118108.7 Ų108.745%0.44556%0.555SS.*  trans-83.2122173.2-72.3-178.5143.9145.95.1108.1E269 L276 S280E269-R278 IonicContact OE2-CZ 3.86Å; E269-R278 IonicContact OE2-NH1 3.48Å; E269-R278 PolarHBondContact OE2-NH1 3.33Å; E269-R278 IonicContact OE2-NH2 2.75Å; E269-R278 PolarHBondContact OE2-NH2 3.37Å; L276-R278 VanDerWaalsContact C-N 3.32Å; L276-R278 PolarHBondContact O-N 2.82Å; R278-S280 PolarHBondContact O-N 2.91Å
279K68.2Low69.3Low172 Ų172114.6 Ų114.675%0.74859%0.587SS**  trans-60.8110160.5-70.2-168.6177.4-170.70107D281K279-D281 VanDerWaalsContact C-N 3.28Å; K279-D281 PolarHBondContact O-N 3.26Å
280S57Low66.8Low89 Ų89119.9 Ų119.962%0.62262%0.616SS**  trans-72.490.6171.764.10000107.4R278 F282R278-S280 PolarHBondContact O-N 2.91Å; S280-F282 PolarHBondContact O-N 3.02Å
281D49.8Very low64.2Low144 Ų144117.8 Ų117.877%0.7761%0.613SS**  trans-73.559.4167.5-69.3-21.3000108.8K279 V283K279-D281 VanDerWaalsContact C-N 3.28Å; K279-D281 PolarHBondContact O-N 3.26Å; D281-V283 PolarHBondContact O-N 3.28Å
282F47.6Very low61.5Low180 Ų180121.2 Ų121.279%0.78962%0.623SS**  trans-73.584.2156.9-73.6-73.9000106.2S280 V284S280-F282 PolarHBondContact O-N 3.02Å; F282-V284 PolarHBondContact O-N 2.78Å
283V45.3Very low58.7Low120 Ų120129.5 Ų129.573%0.72765%0.649SS**  trans-67.198.2152.7-178.10000104.4D281 D285D281-V283 PolarHBondContact O-N 3.28Å; V283-D285 PolarHBondContact O-N 3.27Å; V283-D285 VanDerWaalsContact O-N 3.12Å
284V44.3Very low56.1Low112 Ų112135.9 Ų135.968%0.67968%0.683SS**  trans-58.8115.5162.4-1790000104.5F282 V286F282-V284 PolarHBondContact O-N 2.78Å; V284-V286 PolarHBondContact O-N 3.18Å
285D41.8Very low53.4Low147 Ų147135.4 Ų135.479%0.78670%0.701SS**  trans-57.295.1165.7-78.7-39000105.9V283 D287V283-D285 PolarHBondContact O-N 3.27Å; V283-D285 VanDerWaalsContact O-N 3.12Å; D285-D287 PolarHBondContact O-N 2.86Å
286V43.2Very low50.5Low123 Ų123137.7 Ų137.775%0.74571%0.71SS**  trans-69.6113.2167.2-175.80000103.9V284 Y288V284-V286 PolarHBondContact O-N 3.18Å; V286-Y288 PolarHBondContact O-N 3.2Å
287D39.5Very low47.6Very low154 Ų154145 Ų14582%0.82474%0.739SS**  trans-41115.3174.1-79.8-42.7000108.8D285 D289D285-D287 PolarHBondContact O-N 2.86Å; D287-D289 VanDerWaalsContact C-N 3.35Å; D287-D289 PolarHBondContact O-N 3.03Å
288Y39Very low45.1Very low193 Ų193146 Ų14676%0.75774%0.744SS**  trans-71.194.5-178.3-162.9-95.9000107.4V286 D290V286-Y288 PolarHBondContact O-N 3.2Å; Y288-D290 VanDerWaalsContact CD1-OD1 3.28Å; Y288-D290 WeakPolarHBondContact CD1-OD1 3.48Å; Y288-D290 VanDerWaalsContact CE1-OD1 3.31Å; Y288-D290 WeakPolarHBondContact CE1-OD1 3.3Å; Y288-D290 PolarHBondContact O-N 3.14Å
289D40.4Very low42.8Very low130 Ų130145.7 Ų145.770%0.69576%0.755SS**  trans-71.5107.5168.8-165.4-0.1000107.9D287 S291D287-D289 VanDerWaalsContact C-N 3.35Å; D287-D289 PolarHBondContact O-N 3.03Å; D289-S291 PolarHBondContact O-N 3.16Å
290D45.7Very low41.4Very low131 Ų131142.2 Ų142.270%0.70176%0.758SS**THydrogen-bonded Turntrans-63.811.4-172.4-95.9-31.9000114.6Y288Y288-D290 VanDerWaalsContact CD1-OD1 3.28Å; Y288-D290 WeakPolarHBondContact CD1-OD1 3.48Å; Y288-D290 VanDerWaalsContact CE1-OD1 3.31Å; Y288-D290 WeakPolarHBondContact CE1-OD1 3.3Å; Y288-D290 PolarHBondContact O-N 3.14Å
291S44.5Very low40.1Very low73 Ų73148.3 Ų148.351%0.5177%0.769SS.*THydrogen-bonded Turntrans-85.6-6.9-169.970.40000115.2D289D289-S291 PolarHBondContact O-N 3.16Å
292H40.9Very low39.4Very low158 Ų158146.5 Ų146.573%0.73177%0.768SS**  trans-124.782.8-179.7-69.5-38.6000114.1D294H292-D294 PolarHBondContact O-N 3.19Å
293R38.3Very low38.6Very low253 Ų253143.1 Ų143.196%0.95577%0.767SS**  trans-69.952.7163.6-70.4-173.7175.7-175.6-0.1113
294D39.9Very low38.5Very low134 Ų134147.1 Ų147.172%0.71780%0.795SS**SBendtrans-129.3110.1165.4-149.514.4000108.5H292 K296H292-D294 PolarHBondContact O-N 3.19Å; D294-K296 PolarHBondContact O-N 3.17Å
295G37.4Very low38.2Very low84 Ų84148.9 Ų148.987%0.86680%0.801SS**  trans-68.546-157.800000116.8K297G295-K297 PolarHBondContact O-N 3.3Å
296K33.7Very low38Very low177 Ų177148.9 Ų148.977%0.7780%0.802SS**  trans-84.3104.9171.5-68.9-174.8-178.5175.60109.1D294 L298D294-K296 PolarHBondContact O-N 3.17Å; K296-L298 PolarHBondContact O-N 3.34Å
297K33.1Very low37.8Very low197 Ų197150.4 Ų150.486%0.85781%0.805SS**  trans-54.2110.5165-74.2-179.1175-178.80108.4G295 V299G295-K297 PolarHBondContact O-N 3.3Å; K297-V299 PolarHBondContact O-N 3.47Å
298L36.3Very low37.6Very low177 Ų177150.2 Ų150.293%0.92780%0.804SS**  trans-69.1114.3168.9-77.7165.5000107.8K296 A300K296-L298 PolarHBondContact O-N 3.34Å; L298-A300 PolarHBondContact O-N 2.91Å
299V32.8Very low37.6Very low111 Ų111147.5 Ų147.567%0.67381%0.806SS**  trans-83.5110.7176.2-1790000107K297 Y301K297-V299 PolarHBondContact O-N 3.47Å; V299-Y301 PolarHBondContact O-N 2.78Å
300A38.1Very low37.4Very low100 Ų100148.7 Ų148.783%0.82681%0.814SS**  trans-68.5118.1171.600000108.9L298 S302L298-A300 PolarHBondContact O-N 2.91Å; A300-S302 PolarHBondContact O-N 3.25Å
301Y31Very low36.8Very low216 Ų216149.9 Ų149.985%0.84782%0.822SS**  trans-75.5116.6173.3-76.7-89.6000109.3V299 S303V299-Y301 PolarHBondContact O-N 2.78Å; Y301-S303 PolarHBondContact O-N 2.76Å
302S34.9Very low36.2Very low107 Ų107155.8 Ų155.875%0.74885%0.846SS**  trans-72.5115.6160.858.10000108.2A300A300-S302 PolarHBondContact O-N 3.25Å
303S31Very low35.8Very low109 Ų109155.7 Ų155.776%0.76286%0.855SS**  trans-73.2146.9163.8-61.70000108.9Y301Y301-S303 PolarHBondContact O-N 2.76Å
304P43.1Very low35.6Very low203 Ų203146.8 Ų146.8100%1.31885%0.846SS**  trans-730-152.730.3-35.5000115.1

Retrieved 304 of 304 residues in 1109.7 ms (Link to these results)