A0A3Q0KMJ5_SCHMA Loading...

Armadillo-like helical domain containing protein 1

AlphaFold DB , UniProt , Accession A0A3Q0KMJ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 487 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
1M54.1Low79.3Confident213 Ų213100 Ų100100%1.04954%0.542SS*.  0-36.30-74.2-173.1-172.400113.4S3 A4 K5M1-S3 PolarHBondContact O-N 3.39Å; M1-A4 PolarHBondContact O-N 3.13Å; M1-K5 PolarHBondContact O-N 3.31Å
2A61.7Low80.4Confident85 Ų8599.3 Ų99.370%0.70254%0.538SS*.Hα-helixtrans-59.7-43.4177.100000113.8A4 K5 Q6A2-A4 PolarHBondContact O-N 3.43Å; A2-K5 PolarHBondContact O-N 3.11Å; A2-Q6 PolarHBondContact O-N 2.9Å; A2-Q6 VanDerWaalsContact O-N 3.16Å
3S73.7Confident81.3Confident82 Ų8292.2 Ų92.257%0.57350%0.5SS*.Hα-helixtrans-57.9-48.5177.2-167.90000112.7M1 K5 Q6 D7M1-S3 PolarHBondContact O-N 3.39Å; S3-K5 VanDerWaalsContact C-N 3.3Å; S3-K5 PolarHBondContact O-N 2.96Å; S3-Q6 WeakPolarHBondContact O-CB 3.35Å; S3-Q6 PolarHBondContact O-N 3.35Å; S3-D7 PolarHBondContact O-N 3.28Å; S3-D7 VanDerWaalsContact O-OD2 3.08Å; S3-D7 PolarHBondContact OG-OD2 3.28Å
4A77.6Confident82.2Confident53 Ų5391.1 Ų91.144%0.43850%0.498SS..Hα-helixtrans-62.4-34.8-178.400000113M1 A2 I8M1-A4 PolarHBondContact O-N 3.13Å; A2-A4 PolarHBondContact O-N 3.43Å; A4-I8 WeakPolarHBondContact O-CD1 3.49Å; A4-I8 WeakPolarHBondContact O-CG1 3.37Å; A4-I8 PolarHBondContact O-N 3.47Å; A4-I8 VanDerWaalsContact O-N 3.11Å
5K77.9Confident82.9Confident162 Ų16287.6 Ų87.670%0.70448%0.482SS*.Hα-helixtrans-66-42.5173.5-73.6-170.8176-172.30111.4M1 A2 S3 I8 A9M1-K5 PolarHBondContact O-N 3.31Å; A2-K5 PolarHBondContact O-N 3.11Å; S3-K5 VanDerWaalsContact C-N 3.3Å; S3-K5 PolarHBondContact O-N 2.96Å; K5-I8 PolarHBondContact O-N 3.48Å; K5-A9 WeakPolarHBondContact O-CB 3.45Å; K5-A9 PolarHBondContact O-N 3.14Å
6Q81.1Confident83.7Confident81 Ų8184.6 Ų84.638%0.37947%0.465SS..Hα-helixtrans-64.1-41.4176.9-167.567.819.500111.8A2 S3 I8 A9 T10A2-Q6 PolarHBondContact O-N 2.9Å; A2-Q6 VanDerWaalsContact O-N 3.16Å; S3-Q6 WeakPolarHBondContact O-CB 3.35Å; S3-Q6 PolarHBondContact O-N 3.35Å; Q6-I8 PolarHBondContact O-N 2.95Å; Q6-A9 PolarHBondContact O-N 3.48Å; Q6-T10 WeakPolarHBondContact O-CB 3.37Å; Q6-T10 PolarHBondContact O-N 3Å; Q6-T10 PolarHBondContact O-OG1 3.43Å
7D85.5Confident84.4Confident97 Ų9780.4 Ų80.452%0.51944%0.441SS..Hα-helixtrans-64.3-41.2178.9-63.2-34.9000111.3S3 T10 Y11S3-D7 PolarHBondContact O-N 3.28Å; S3-D7 VanDerWaalsContact O-OD2 3.08Å; S3-D7 PolarHBondContact OG-OD2 3.28Å; D7-T10 PolarHBondContact O-N 3.33Å; D7-Y11 WeakPolarHBondContact O-CB 3.32Å; D7-Y11 PolarHBondContact O-N 3.12Å
8I89.1Confident85Confident101 Ų10186.3 Ų86.352%0.51846%0.456SS..Hα-helixtrans-64.4-46.5174.8-68164.6000110.9A4 K5 Q6 T10 Y11 N12A4-I8 WeakPolarHBondContact O-CD1 3.49Å; A4-I8 WeakPolarHBondContact O-CG1 3.37Å; A4-I8 PolarHBondContact O-N 3.47Å; A4-I8 VanDerWaalsContact O-N 3.11Å; K5-I8 PolarHBondContact O-N 3.48Å; Q6-I8 PolarHBondContact O-N 2.95Å; I8-T10 VanDerWaalsContact C-N 3.32Å; I8-T10 PolarHBondContact O-N 3.24Å; I8-Y11 PolarHBondContact O-N 3.21Å; I8-N12 WeakPolarHBondContact O-CB 3.28Å; I8-N12 PolarHBondContact O-N 2.96Å; I8-N12 PolarHBondContact O-ND2 3.15Å
9A88.3Confident85.5Confident21 Ų2187.4 Ų87.417%0.17446%0.458CS..Hα-helixtrans-60.9-43.1177.400000111.2K5 Q6 Y11 N12 V13 A52K5-A9 WeakPolarHBondContact O-CB 3.45Å; K5-A9 PolarHBondContact O-N 3.14Å; Q6-A9 PolarHBondContact O-N 3.48Å; A9-Y11 PolarHBondContact O-N 3.2Å; A9-N12 PolarHBondContact O-N 3.36Å; A9-V13 VanDerWaalsContact O-CG2 3.26Å; A9-V13 WeakPolarHBondContact O-CG2 3.47Å; A9-V13 PolarHBondContact O-N 3.37Å; A9-A52 HydrophobicContact CB-CB 3.85Å
10T91.1Very high86.1Confident48 Ų4883.3 Ų83.329%0.29444%0.437SS..Hα-helixtrans-59.5-45.2175.9-56.70000111.6Q6 D7 I8 T14 M54Q6-T10 WeakPolarHBondContact O-CB 3.37Å; Q6-T10 PolarHBondContact O-N 3Å; Q6-T10 PolarHBondContact O-OG1 3.43Å; D7-T10 PolarHBondContact O-N 3.33Å; I8-T10 VanDerWaalsContact C-N 3.32Å; I8-T10 PolarHBondContact O-N 3.24Å; T10-T14 WeakPolarHBondContact O-CB 3.41Å; T10-T14 PolarHBondContact O-N 3.47Å; T10-T14 PolarHBondContact O-OG1 3.19Å; T10-M54 HydrophobicContact CG2-CE 3.73Å
11Y92Very high86.5Confident157 Ų15783.1 Ų83.162%0.61644%0.436SS*.Hα-helixtrans-61.5-47.8175.9177.7-98.5000111.7D7 I8 A9 V13 T14 C15D7-Y11 WeakPolarHBondContact O-CB 3.32Å; D7-Y11 PolarHBondContact O-N 3.12Å; I8-Y11 PolarHBondContact O-N 3.21Å; A9-Y11 PolarHBondContact O-N 3.2Å; Y11-V13 VanDerWaalsContact C-N 3.34Å; Y11-V13 PolarHBondContact O-N 3.32Å; Y11-T14 PolarHBondContact O-N 3.23Å; Y11-C15 VanDerWaalsContact CZ-SG 3.55Å; Y11-C15 PolarHBondContact O-N 3.45Å; Y11-C15 PolarHBondContact O-SG 2.72Å
12N92.3Very high88.4Confident92 Ų9278.2 Ų78.249%0.49242%0.421SS..Hα-helixtrans-59.5-44.4180-70.3-15.4000111.8I8 A9 C15 L16I8-N12 WeakPolarHBondContact O-CB 3.28Å; I8-N12 PolarHBondContact O-N 2.96Å; I8-N12 PolarHBondContact O-ND2 3.15Å; A9-N12 PolarHBondContact O-N 3.36Å; N12-C15 WeakPolarHBondContact O-CB 3.41Å; N12-C15 PolarHBondContact O-N 2.79Å; N12-L16 PolarHBondContact O-N 3.43Å
13V92.6Very high89.9Confident7 Ų775 Ų754%0.04240%0.395CS..Hα-helixtrans-66.3-42.3177.6176.20000110.8A9 Y11 C15 L16 L17 F51 M54A9-V13 VanDerWaalsContact O-CG2 3.26Å; A9-V13 WeakPolarHBondContact O-CG2 3.47Å; A9-V13 PolarHBondContact O-N 3.37Å; Y11-V13 VanDerWaalsContact C-N 3.34Å; Y11-V13 PolarHBondContact O-N 3.32Å; V13-C15 VanDerWaalsContact C-N 3.28Å; V13-C15 PolarHBondContact O-N 3.42Å; V13-L16 WeakPolarHBondContact O-CB 3.34Å; V13-L16 PolarHBondContact O-N 2.8Å; V13-L16 VanDerWaalsContact O-N 3.12Å; V13-L17 HydrophobicContact CG1-CD1 4.14Å; V13-L17 HydrophobicContact CG1-CG 4.23Å; V13-L17 VanDerWaalsContact O-CG 3.3Å; V13-L17 WeakPolarHBondContact O-CG 3.14Å; V13-L17 PolarHBondContact O-N 2.94Å; V13-F51 HydrophobicContact CG1-CD1 4.1Å; V13-F51 HydrophobicContact CG2-CB 4.28Å; V13-F51 HydrophobicContact CG2-CD1 4.18Å; V13-F51 HydrophobicContact CG2-CG 4.38Å; V13-M54 HydrophobicContact CB-CE 3.74Å; V13-M54 HydrophobicContact CG1-CB 4.02Å; V13-M54 HydrophobicContact CG1-CE 3.77Å; V13-M54 HydrophobicContact CG1-SD 4.46Å; V13-M54 HydrophobicContact CG2-CE 4.44Å
14T93.4Very high90.9Very high76 Ų7674.6 Ų74.647%0.46639%0.392SS..Hα-helixtrans-60.4-40.2176-55.80000111.4T10 Y11 R18T10-T14 WeakPolarHBondContact O-CB 3.41Å; T10-T14 PolarHBondContact O-N 3.47Å; T10-T14 PolarHBondContact O-OG1 3.19Å; Y11-T14 PolarHBondContact O-N 3.23Å; T14-R18 WeakPolarHBondContact O-CB 2.99Å; T14-R18 PolarHBondContact O-N 3.36Å
15C93.7Very high91.7Very high39 Ų3977.4 Ų77.426%0.26440%0.396SS..Hα-helixtrans-63.5-45.1173.1-75.90000112Y11 N12 V13 R18 Q19Y11-C15 VanDerWaalsContact CZ-SG 3.55Å; Y11-C15 PolarHBondContact O-N 3.45Å; Y11-C15 PolarHBondContact O-SG 2.72Å; N12-C15 WeakPolarHBondContact O-CB 3.41Å; N12-C15 PolarHBondContact O-N 2.79Å; V13-C15 VanDerWaalsContact C-N 3.28Å; V13-C15 PolarHBondContact O-N 3.42Å; C15-R18 PolarHBondContact O-N 3.15Å; C15-Q19 WeakPolarHBondContact O-CB 3.43Å; C15-Q19 VanDerWaalsContact O-CG 3.24Å; C15-Q19 WeakPolarHBondContact O-CG 3.43Å; C15-Q19 PolarHBondContact O-N 3.38Å
16L94.6Very high92.5Very high40 Ų4073.6 Ų73.621%0.20938%0.381CS..Hα-helixtrans-57.8-49.1176.1175.167.2000111.4N12 V13 R18 Q19 W20 L31 F51N12-L16 PolarHBondContact O-N 3.43Å; V13-L16 WeakPolarHBondContact O-CB 3.34Å; V13-L16 PolarHBondContact O-N 2.8Å; V13-L16 VanDerWaalsContact O-N 3.12Å; L16-R18 PolarHBondContact O-N 3.12Å; L16-Q19 PolarHBondContact O-N 2.86Å; L16-W20 WeakPolarHBondContact O-CB 3.24Å; L16-W20 PolarHBondContact O-N 3.44Å; L16-L31 HydrophobicContact CD1-CD1 4.49Å; L16-L31 HydrophobicContact CD1-CD2 3.87Å; L16-F51 HydrophobicContact CD2-CE1 3.68Å; L16-F51 HydrophobicContact CD2-CZ 4.02Å
17L95.3Very high93.2Very high12 Ų1273.8 Ų73.86%0.06338%0.381CS..Hα-helixtrans-62.9-42.2-179.9-63.9179.3000111.5V13 W20 D21 L57 F58V13-L17 HydrophobicContact CG1-CD1 4.14Å; V13-L17 HydrophobicContact CG1-CG 4.23Å; V13-L17 VanDerWaalsContact O-CG 3.3Å; V13-L17 WeakPolarHBondContact O-CG 3.14Å; V13-L17 PolarHBondContact O-N 2.94Å; L17-W20 WeakPolarHBondContact O-CB 3.28Å; L17-W20 PolarHBondContact O-N 2.93Å; L17-D21 PolarHBondContact O-N 2.95Å; L17-L57 HydrophobicContact CD1-CB 3.93Å; L17-L57 HydrophobicContact CD1-CD1 4.07Å; L17-F58 HydrophobicContact CD2-CB 3.99Å; L17-F58 HydrophobicContact CD2-CD2 4.04Å; L17-F58 HydrophobicContact CD2-CG 4.44Å
18R95.2Very high93.7Very high188 Ų18871.7 Ų71.771%0.70937%0.365SS*.Hα-helixtrans-65.1-41.5175.7-175.5178.4177.5-177.6-0.1112.1T14 C15 L16 W20 D21 C22T14-R18 WeakPolarHBondContact O-CB 2.99Å; T14-R18 PolarHBondContact O-N 3.36Å; C15-R18 PolarHBondContact O-N 3.15Å; L16-R18 PolarHBondContact O-N 3.12Å; R18-W20 VanDerWaalsContact C-N 3.32Å; R18-D21 PolarHBondContact O-N 3.09Å; R18-C22 PolarHBondContact O-N 3.49Å
19Q95.3Very high94.1Very high106 Ų10670.9 Ų70.950%0.49536%0.356SS..Hα-helixtrans-61.9-43175.7-75.617723.900110.7C15 L16 C22 A23C15-Q19 WeakPolarHBondContact O-CB 3.43Å; C15-Q19 VanDerWaalsContact O-CG 3.24Å; C15-Q19 WeakPolarHBondContact O-CG 3.43Å; C15-Q19 PolarHBondContact O-N 3.38Å; L16-Q19 PolarHBondContact O-N 2.86Å; Q19-C22 PolarHBondContact O-N 2.97Å; Q19-A23 WeakPolarHBondContact O-CA 3.41Å; Q19-A23 WeakPolarHBondContact O-CB 3.27Å; Q19-A23 PolarHBondContact O-N 3Å
20W96.3Very high94.5Very high6 Ų673.3 Ų73.32%0.02336%0.364CS..Hα-helixtrans-57.8-49.3175.3178.7-85.8000112.5L16 L17 R18 C22 A23 R28 L31 L32 F58 I62 W65L16-W20 WeakPolarHBondContact O-CB 3.24Å; L16-W20 PolarHBondContact O-N 3.44Å; L17-W20 WeakPolarHBondContact O-CB 3.28Å; L17-W20 PolarHBondContact O-N 2.93Å; R18-W20 VanDerWaalsContact C-N 3.32Å; W20-C22 VanDerWaalsContact C-N 3.27Å; W20-C22 PolarHBondContact O-N 3.18Å; W20-A23 PolarHBondContact O-N 3.47Å; W20-R28 HydrophobicContact CD2-CG 4.13Å; W20-R28 HydrophobicContact CE3-CB 4.22Å; W20-R28 HydrophobicContact CE3-CG 4.04Å; W20-R28 HydrophobicContact CH2-CB 4.21Å; W20-R28 HydrophobicContact CZ3-CB 3.95Å; W20-R28 HydrophobicContact CZ3-CG 4.24Å; W20-R28 PolarHBondContact O-NE 3.03Å; W20-R28 PolarHBondContact O-NH2 3.13Å; W20-L31 HydrophobicContact CB-CD1 4.44Å; W20-L31 HydrophobicContact CE3-CB 4.3Å; W20-L31 HydrophobicContact CE3-CD1 4.1Å; W20-L31 HydrophobicContact CZ3-CB 4.43Å; W20-L32 HydrophobicContact CH2-CD1 4.05Å; W20-L32 HydrophobicContact CH2-CD2 3.62Å; W20-L32 HydrophobicContact CH2-CG 3.81Å; W20-L32 HydrophobicContact CZ3-CD1 4.44Å; W20-L32 HydrophobicContact CZ3-CD2 3.59Å; W20-L32 HydrophobicContact CZ3-CG 3.72Å; W20-F58 AromaticContact CD2-CE2 3.92Å; W20-F58 HydrophobicContact CD2-CE2 3.92Å; W20-F58 AromaticContact CE3-CE2 3.59Å; W20-F58 HydrophobicContact CE3-CE2 3.59Å; W20-F58 HydrophobicContact CE3-CZ 4.09Å; W20-F58 HydrophobicContact CG-CE2 4.42Å; W20-F58 AromaticContact CZ3-CE2 3.93Å; W20-F58 HydrophobicContact CZ3-CE2 3.93Å; W20-F58 HydrophobicContact CZ3-CZ 4.05Å; W20-I62 HydrophobicContact CH2-CG1 4.31Å; W20-I62 HydrophobicContact CZ2-CG1 4.45Å; W20-W65 HydrophobicContact CH2-CD2 4.38Å; W20-W65 AromaticContact CH2-CE3 3.32Å; W20-W65 HydrophobicContact CH2-CE3 3.32Å; W20-W65 AromaticContact CH2-CZ3 3.54Å; W20-W65 HydrophobicContact CH2-CZ3 3.54Å; W20-W65 HydrophobicContact CZ2-CB 4.32Å; W20-W65 HydrophobicContact CZ2-CD2 4.02Å; W20-W65 AromaticContact CZ2-CE3 3.36Å; W20-W65 HydrophobicContact CZ2-CE3 3.36Å; W20-W65 HydrophobicContact CZ2-CG 4.45Å; W20-W65 HydrophobicContact CZ2-CZ3 4.01Å; W20-W65 HydrophobicContact CZ3-CE3 4.46Å; W20-W65 HydrophobicContact CZ3-CZ3 4.33Å
21D95.2Very high94.7Very high79 Ų7971.8 Ų71.842%0.42235%0.354SS..Hα-helixtrans-63.7-35.1-174.5-67-21.6000111.3L17 R18 R28 R61L17-D21 PolarHBondContact O-N 2.95Å; R18-D21 PolarHBondContact O-N 3.09Å; D21-R28 PolarHBondContact O-NH2 3.28Å; D21-R61 IonicContact OD1-CZ 4Å; D21-R61 IonicContact OD1-NE 3.97Å; D21-R61 PolarHBondContact OD1-NE 3.01Å; D21-R61 IonicContact OD1-NH2 2.92Å; D21-R61 IonicContact OD2-CZ 2.71Å; D21-R61 IonicContact OD2-NE 2.86Å; D21-R61 PolarHBondContact OD2-NE 3.28Å; D21-R61 IonicContact OD2-NH2 2.65Å; D21-R61 PolarHBondContact OD2-NH2 3.06Å
22C94Very high95Very high110 Ų11064.3 Ų64.374%0.74332%0.324SS*.Hα-helixtrans-95-3.3178.6-58.90000115.1R18 Q19 W20R18-C22 PolarHBondContact O-N 3.49Å; Q19-C22 PolarHBondContact O-N 2.97Å; W20-C22 VanDerWaalsContact C-N 3.27Å; W20-C22 PolarHBondContact O-N 3.18Å
23A93.9Very high95.2Very high17 Ų1762.2 Ų62.214%0.1431%0.313CS..  trans-75.5147.9-173.400000113.2Q19 W20 K27 R28Q19-A23 WeakPolarHBondContact O-CA 3.41Å; Q19-A23 WeakPolarHBondContact O-CB 3.27Å; Q19-A23 PolarHBondContact O-N 3Å; W20-A23 PolarHBondContact O-N 3.47Å; A23-K27 HydrophobicContact CB-CB 3.85Å; A23-K27 HydrophobicContact CB-CG 3.93Å; A23-R28 HydrophobicContact CB-CG 3.64Å
24S94.3Very high95.4Very high75 Ų7566.1 Ų66.152%0.52433%0.333SS..  trans-67.1165.1162.763.60000111.1E26 K27 R28S24-E26 VanDerWaalsContact C-N 3.29Å; S24-E26 PolarHBondContact O-N 2.92Å; S24-K27 PolarHBondContact O-N 3.11Å; S24-K27 PolarHBondContact OG-N 3.3Å; S24-R28 PolarHBondContact O-N 3.46Å
25E93.8Very high95.6Very high112 Ų11262.9 Ų62.952%0.52331%0.313SS..Hα-helixtrans-53.2-46.8176.4-63.1177.7171.700112K27 R28 R29 T74E25-K27 VanDerWaalsContact C-N 3.32Å; E25-K27 PolarHBondContact O-N 3.17Å; E25-R28 PolarHBondContact O-N 3.03Å; E25-R29 PolarHBondContact O-N 3.42Å; E25-T74 HydrophobicContact CB-CG2 4.41Å; E25-T74 HydrophobicContact CG-CG2 4.21Å; E25-T74 WeakPolarHBondContact OE2-CG2 3.27Å
26E94.7Very high95.7Very high82 Ų8262 Ų6238%0.38331%0.306SS..Hα-helixtrans-58.5-42.9176.8-178.358.2-145.600112.1S24 R29 Q30S24-E26 VanDerWaalsContact C-N 3.29Å; S24-E26 PolarHBondContact O-N 2.92Å; E26-R29 WeakPolarHBondContact O-CB 3.18Å; E26-R29 PolarHBondContact O-N 3.33Å; E26-R29 IonicContact OE1-CZ 3.62Å; E26-R29 IonicContact OE1-NE 3.87Å; E26-R29 IonicContact OE1-NH2 2.72Å; E26-R29 PolarHBondContact OE1-NH2 3.36Å; E26-R29 IonicContact OE2-CZ 3.91Å; E26-R29 IonicContact OE2-NE 3.44Å; E26-R29 IonicContact OE2-NH1 2.68Å; E26-R29 IonicContact OE2-NH2 3.56Å; E26-R29 PolarHBondContact OE2-NH2 3.35Å; E26-Q30 WeakPolarHBondContact O-CG 3.49Å; E26-Q30 PolarHBondContact O-N 3.49Å; E26-Q30 VanDerWaalsContact O-N 3.11Å
27K95.5Very high95.8Very high85 Ų8567.7 Ų67.737%0.3733%0.329SS..Hα-helixtrans-72.3-36.8-178.6-173.565.6-170.3168.70111.5A23 S24 E25 R29 Q30 L31A23-K27 HydrophobicContact CB-CB 3.85Å; A23-K27 HydrophobicContact CB-CG 3.93Å; S24-K27 PolarHBondContact O-N 3.11Å; S24-K27 PolarHBondContact OG-N 3.3Å; E25-K27 VanDerWaalsContact C-N 3.32Å; E25-K27 PolarHBondContact O-N 3.17Å; K27-R29 VanDerWaalsContact C-N 3.33Å; K27-Q30 PolarHBondContact O-N 2.84Å; K27-L31 WeakPolarHBondContact O-CG 3.43Å; K27-L31 PolarHBondContact O-N 3.24Å
28R97Very high95.8Very high53 Ų5372.7 Ų72.720%0.235%0.351CS..Hα-helixtrans-63.1-39.7172-70.5-174.6-177.9153.75.6111.7W20 D21 A23 S24 E25 Q30 L31 L32 W65W20-R28 HydrophobicContact CD2-CG 4.13Å; W20-R28 HydrophobicContact CE3-CB 4.22Å; W20-R28 HydrophobicContact CE3-CG 4.04Å; W20-R28 HydrophobicContact CH2-CB 4.21Å; W20-R28 HydrophobicContact CZ3-CB 3.95Å; W20-R28 HydrophobicContact CZ3-CG 4.24Å; W20-R28 PolarHBondContact O-NE 3.03Å; W20-R28 PolarHBondContact O-NH2 3.13Å; D21-R28 PolarHBondContact O-NH2 3.28Å; A23-R28 HydrophobicContact CB-CG 3.64Å; S24-R28 PolarHBondContact O-N 3.46Å; E25-R28 PolarHBondContact O-N 3.03Å; R28-Q30 PolarHBondContact O-N 3.29Å; R28-L31 PolarHBondContact O-N 2.81Å; R28-L32 WeakPolarHBondContact O-CG 3.29Å; R28-L32 PolarHBondContact O-N 3.32Å; R28-W65 HydrophobicContact CB-CE3 4.36Å; R28-W65 HydrophobicContact CB-CH2 3.29Å; R28-W65 HydrophobicContact CB-CZ2 3.97Å; R28-W65 HydrophobicContact CB-CZ3 3.52Å; R28-W65 HydrophobicContact CG-CH2 4.27Å; R28-W65 HydrophobicContact CG-CZ3 4.45Å
29R96.4Very high95.8Very high83 Ų8364.9 Ų64.931%0.31332%0.322SS..Hα-helixtrans-57-49.7173.7-172.4178.265.2-171.21.5111.7E25 E26 K27 L31 L32 D33 C75 E78E25-R29 PolarHBondContact O-N 3.42Å; E26-R29 WeakPolarHBondContact O-CB 3.18Å; E26-R29 PolarHBondContact O-N 3.33Å; E26-R29 IonicContact OE1-CZ 3.62Å; E26-R29 IonicContact OE1-NE 3.87Å; E26-R29 IonicContact OE1-NH2 2.72Å; E26-R29 PolarHBondContact OE1-NH2 3.36Å; E26-R29 IonicContact OE2-CZ 3.91Å; E26-R29 IonicContact OE2-NE 3.44Å; E26-R29 IonicContact OE2-NH1 2.68Å; E26-R29 IonicContact OE2-NH2 3.56Å; E26-R29 PolarHBondContact OE2-NH2 3.35Å; K27-R29 VanDerWaalsContact C-N 3.33Å; R29-L31 VanDerWaalsContact C-N 3.31Å; R29-L31 PolarHBondContact O-N 3.41Å; R29-L32 WeakPolarHBondContact O-CB 3.32Å; R29-L32 PolarHBondContact O-N 2.98Å; R29-L32 VanDerWaalsContact O-N 3.1Å; R29-D33 PolarHBondContact O-N 2.89Å; R29-C75 HydrophobicContact CB-CB 4.41Å; R29-C75 HydrophobicContact CG-CB 4.47Å; R29-E78 WeakPolarHBondContact CD-OE1 3.34Å; R29-E78 HydrophobicContact CG-CG 3.85Å
30Q97Very high95.6Very high73 Ų7365.5 Ų65.534%0.34132%0.321SS..Hα-helixtrans-58.2-43176.7-69.1172.47.500112.2E26 K27 R28 L32 D33 D34E26-Q30 WeakPolarHBondContact O-CG 3.49Å; E26-Q30 PolarHBondContact O-N 3.49Å; E26-Q30 VanDerWaalsContact O-N 3.11Å; K27-Q30 PolarHBondContact O-N 2.84Å; R28-Q30 PolarHBondContact O-N 3.29Å; Q30-L32 VanDerWaalsContact C-N 3.29Å; Q30-L32 PolarHBondContact O-N 3.37Å; Q30-D33 PolarHBondContact O-N 3.25Å; Q30-D34 WeakPolarHBondContact O-CB 3.47Å; Q30-D34 VanDerWaalsContact O-CG 3.3Å; Q30-D34 PolarHBondContact O-N 3.4Å
31L96.8Very high95.3Very high16 Ų1671.2 Ų71.28%0.08435%0.352CS..Hα-helixtrans-61.3-38.6176.8-69.2174.8000112L16 W20 K27 R28 R29 F35L16-L31 HydrophobicContact CD1-CD1 4.49Å; L16-L31 HydrophobicContact CD1-CD2 3.87Å; W20-L31 HydrophobicContact CB-CD1 4.44Å; W20-L31 HydrophobicContact CE3-CB 4.3Å; W20-L31 HydrophobicContact CE3-CD1 4.1Å; W20-L31 HydrophobicContact CZ3-CB 4.43Å; K27-L31 WeakPolarHBondContact O-CG 3.43Å; K27-L31 PolarHBondContact O-N 3.24Å; R28-L31 PolarHBondContact O-N 2.81Å; R29-L31 VanDerWaalsContact C-N 3.31Å; R29-L31 PolarHBondContact O-N 3.41Å; L31-F35 WeakPolarHBondContact O-CB 3.5Å; L31-F35 PolarHBondContact O-N 3.3Å
32L97.6Very high95Very high0 Ų073.8 Ų73.80%036%0.356CS..Hα-helixtrans-67.9-44174.4-67.6-176.7000112.1W20 R28 R29 Q30 D34 F35 I36 F58 I62 W65 E78 Q79 A82W20-L32 HydrophobicContact CH2-CD1 4.05Å; W20-L32 HydrophobicContact CH2-CD2 3.62Å; W20-L32 HydrophobicContact CH2-CG 3.81Å; W20-L32 HydrophobicContact CZ3-CD1 4.44Å; W20-L32 HydrophobicContact CZ3-CD2 3.59Å; W20-L32 HydrophobicContact CZ3-CG 3.72Å; R28-L32 WeakPolarHBondContact O-CG 3.29Å; R28-L32 PolarHBondContact O-N 3.32Å; R29-L32 WeakPolarHBondContact O-CB 3.32Å; R29-L32 PolarHBondContact O-N 2.98Å; R29-L32 VanDerWaalsContact O-N 3.1Å; Q30-L32 VanDerWaalsContact C-N 3.29Å; Q30-L32 PolarHBondContact O-N 3.37Å; L32-D34 VanDerWaalsContact C-N 3.32Å; L32-D34 PolarHBondContact O-N 2.91Å; L32-F35 WeakPolarHBondContact O-CB 3.37Å; L32-F35 PolarHBondContact O-N 2.84Å; L32-I36 HydrophobicContact CB-CD1 4.49Å; L32-I36 WeakPolarHBondContact O-CB 3.38Å; L32-I36 VanDerWaalsContact O-CD1 3.31Å; L32-I36 WeakPolarHBondContact O-CD1 3.41Å; L32-I36 WeakPolarHBondContact O-CG1 3.49Å; L32-I36 PolarHBondContact O-N 3.36Å; L32-F58 HydrophobicContact CD2-CZ 4.09Å; L32-I62 HydrophobicContact CD2-CD1 3.99Å; L32-I62 HydrophobicContact CD2-CG1 4.09Å; L32-W65 HydrophobicContact CD1-CE3 4.28Å; L32-W65 HydrophobicContact CD1-CZ3 3.72Å; L32-W65 HydrophobicContact CG-CZ3 4.49Å; L32-E78 HydrophobicContact CB-CB 4.02Å; L32-E78 HydrophobicContact CD1-CB 3.99Å; L32-Q79 HydrophobicContact CD1-CB 4.26Å; L32-Q79 HydrophobicContact CD1-CG 3.67Å; L32-A82 HydrophobicContact CD2-CB 3.8Å
33D97.3Very high95Very high47 Ų4770.6 Ų70.625%0.25133%0.333SS..Hα-helixtrans-59.3-44.6178.1-77.4-30.7000111.9R29 Q30 I36 K37R29-D33 PolarHBondContact O-N 2.89Å; Q30-D33 PolarHBondContact O-N 3.25Å; D33-I36 PolarHBondContact O-N 3.2Å; D33-K37 WeakPolarHBondContact O-CB 3.43Å; D33-K37 VanDerWaalsContact O-CG 3.26Å; D33-K37 WeakPolarHBondContact O-CG 3.44Å; D33-K37 PolarHBondContact O-N 3.12Å
34D96.5Very high94.8Very high89 Ų8970 Ų7048%0.47633%0.328SS..Hα-helixtrans-64.1-43.7177.6-69-19.4000110.6Q30 L32 K37 Q38Q30-D34 WeakPolarHBondContact O-CB 3.47Å; Q30-D34 VanDerWaalsContact O-CG 3.3Å; Q30-D34 PolarHBondContact O-N 3.4Å; L32-D34 VanDerWaalsContact C-N 3.32Å; L32-D34 PolarHBondContact O-N 2.91Å; D34-K37 PolarHBondContact O-N 2.87Å; D34-Q38 VanDerWaalsContact O-CB 3.31Å; D34-Q38 WeakPolarHBondContact O-CB 3.38Å; D34-Q38 PolarHBondContact O-N 3.01Å
35F96.5Very high94.7Very high8 Ų869.8 Ų69.84%0.03533%0.325CS..Hα-helixtrans-59-50174.4174-95.3000112L31 L32 K37 Q38 Y39 L47 F51 F58 A82 V85 F86L31-F35 WeakPolarHBondContact O-CB 3.5Å; L31-F35 PolarHBondContact O-N 3.3Å; L32-F35 WeakPolarHBondContact O-CB 3.37Å; L32-F35 PolarHBondContact O-N 2.84Å; F35-K37 PolarHBondContact O-N 3.17Å; F35-Q38 PolarHBondContact O-N 3.5Å; F35-Y39 AromaticContact CD2-CD2 3.32Å; F35-Y39 HydrophobicContact CD2-CD2 3.32Å; F35-Y39 AromaticContact CD2-CE2 3.75Å; F35-Y39 HydrophobicContact CD2-CE2 3.75Å; F35-Y39 HydrophobicContact CD2-CG 4.31Å; F35-Y39 AromaticContact CE2-CD2 3.55Å; F35-Y39 HydrophobicContact CE2-CD2 3.55Å; F35-Y39 HydrophobicContact CE2-CE2 4.16Å; F35-Y39 HydrophobicContact CE2-CG 4.16Å; F35-Y39 HydrophobicContact CG-CD2 4.01Å; F35-Y39 HydrophobicContact CZ-CD2 4.4Å; F35-Y39 VanDerWaalsContact O-CD2 3.23Å; F35-Y39 WeakPolarHBondContact O-CD2 3.44Å; F35-Y39 PolarHBondContact O-N 3.23Å; F35-L47 HydrophobicContact CE2-CD2 4.4Å; F35-L47 HydrophobicContact CZ-CD2 4.39Å; F35-F51 HydrophobicContact CD2-CE2 4.1Å; F35-F51 AromaticContact CD2-CZ 3.74Å; F35-F51 HydrophobicContact CD2-CZ 3.74Å; F35-F51 AromaticContact CE2-CE2 3.71Å; F35-F51 HydrophobicContact CE2-CE2 3.71Å; F35-F51 AromaticContact CE2-CZ 3.62Å; F35-F51 HydrophobicContact CE2-CZ 3.62Å; F35-F58 HydrophobicContact CB-CE1 4.36Å; F35-F58 HydrophobicContact CD1-CE1 4.41Å; F35-F58 HydrophobicContact CD2-CD1 4.22Å; F35-F58 AromaticContact CD2-CE1 3.79Å; F35-F58 HydrophobicContact CD2-CE1 3.79Å; F35-F58 HydrophobicContact CE2-CD1 4.22Å; F35-F58 HydrophobicContact CE2-CE1 4.2Å; F35-F58 AromaticContact CG-CE1 3.92Å; F35-F58 HydrophobicContact CG-CE1 3.92Å; F35-A82 HydrophobicContact CD1-CB 3.88Å; F35-A82 HydrophobicContact CE1-CB 4.06Å; F35-V85 HydrophobicContact CE1-CB 3.98Å; F35-V85 HydrophobicContact CE1-CG1 3.92Å; F35-V85 HydrophobicContact CZ-CG1 4.01Å; F35-F86 HydrophobicContact CE1-CD2 4.1Å; F35-F86 AromaticContact CE1-CE2 3.71Å; F35-F86 HydrophobicContact CE1-CE2 3.71Å; F35-F86 HydrophobicContact CE1-CZ 4.46Å; F35-F86 HydrophobicContact CE2-CE2 4.03Å; F35-F86 AromaticContact CE2-CZ 3.99Å; F35-F86 HydrophobicContact CE2-CZ 3.99Å; F35-F86 AromaticContact CZ-CD2 3.88Å; F35-F86 HydrophobicContact CZ-CD2 3.88Å; F35-F86 HydrophobicContact CZ-CE1 4.42Å; F35-F86 AromaticContact CZ-CE2 3.25Å; F35-F86 HydrophobicContact CZ-CE2 3.25Å; F35-F86 AromaticContact CZ-CZ 3.58Å; F35-F86 HydrophobicContact CZ-CZ 3.58Å
36I97.1Very high94.7Very high22 Ų2267.6 Ų67.611%0.11332%0.317CS..Hα-helixtrans-59.8-47.3-178.9-67.3155.7000110.2L32 D33 Q38 Y40 E78 Q81 A82L32-I36 HydrophobicContact CB-CD1 4.49Å; L32-I36 WeakPolarHBondContact O-CB 3.38Å; L32-I36 VanDerWaalsContact O-CD1 3.31Å; L32-I36 WeakPolarHBondContact O-CD1 3.41Å; L32-I36 WeakPolarHBondContact O-CG1 3.49Å; L32-I36 PolarHBondContact O-N 3.36Å; D33-I36 PolarHBondContact O-N 3.2Å; I36-Q38 VanDerWaalsContact C-N 3.31Å; I36-Q38 PolarHBondContact O-N 3.34Å; I36-Y40 WeakPolarHBondContact O-CB 3.31Å; I36-Y40 PolarHBondContact O-N 3.4Å; I36-Y40 VanDerWaalsContact O-N 3.1Å; I36-E78 HydrophobicContact CD1-CB 4.45Å; I36-Q81 HydrophobicContact CD1-CB 3.49Å; I36-Q81 VanDerWaalsContact CD1-CB 3.49Å; I36-Q81 HydrophobicContact CG1-CB 4.05Å; I36-A82 HydrophobicContact CD1-CB 4.39Å; I36-A82 HydrophobicContact CG1-CB 4.12Å
37K96.2Very high94.6Very high159 Ų15963.7 Ų63.769%0.69130%0.299SS*.Hα-helixtrans-61.7-39.2179.6-72.5167.9-169.81620112.4D33 D34 F35D33-K37 WeakPolarHBondContact O-CB 3.43Å; D33-K37 VanDerWaalsContact O-CG 3.26Å; D33-K37 WeakPolarHBondContact O-CG 3.44Å; D33-K37 PolarHBondContact O-N 3.12Å; D34-K37 PolarHBondContact O-N 2.87Å; F35-K37 PolarHBondContact O-N 3.17Å
38Q94.9Very high94.5Very high116 Ų11660.9 Ų60.954%0.54229%0.287SS..Hα-helixtrans-78.1-36.2-174.9-171.8173.216.200112.8D34 F35 I36D34-Q38 VanDerWaalsContact O-CB 3.31Å; D34-Q38 WeakPolarHBondContact O-CB 3.38Å; D34-Q38 PolarHBondContact O-N 3.01Å; F35-Q38 PolarHBondContact O-N 3.5Å; I36-Q38 VanDerWaalsContact C-N 3.31Å; I36-Q38 PolarHBondContact O-N 3.34Å
39Y94.7Very high94.3Very high25 Ų2561.7 Ų61.710%0.09830%0.3CS..Hα-helixtrans-114.57.8-167.6-57.3-71.9000115F35 N41 R42 L47 E50 F51 V85F35-Y39 AromaticContact CD2-CD2 3.32Å; F35-Y39 HydrophobicContact CD2-CD2 3.32Å; F35-Y39 AromaticContact CD2-CE2 3.75Å; F35-Y39 HydrophobicContact CD2-CE2 3.75Å; F35-Y39 HydrophobicContact CD2-CG 4.31Å; F35-Y39 AromaticContact CE2-CD2 3.55Å; F35-Y39 HydrophobicContact CE2-CD2 3.55Å; F35-Y39 HydrophobicContact CE2-CE2 4.16Å; F35-Y39 HydrophobicContact CE2-CG 4.16Å; F35-Y39 HydrophobicContact CG-CD2 4.01Å; F35-Y39 HydrophobicContact CZ-CD2 4.4Å; F35-Y39 VanDerWaalsContact O-CD2 3.23Å; F35-Y39 WeakPolarHBondContact O-CD2 3.44Å; F35-Y39 PolarHBondContact O-N 3.23Å; Y39-N41 PolarHBondContact O-N 3.24Å; Y39-R42 HydrophobicContact CD1-CG 4.34Å; Y39-R42 WeakPolarHBondContact O-CB 3.34Å; Y39-R42 WeakPolarHBondContact O-CG 3.22Å; Y39-R42 PolarHBondContact O-N 2.81Å; Y39-R42 VanDerWaalsContact O-N 3.15Å; Y39-L47 HydrophobicContact CD1-CD2 3.91Å; Y39-L47 HydrophobicContact CG-CD2 3.89Å; Y39-E50 HydrophobicContact CE1-CB 3.86Å; Y39-E50 HydrophobicContact CE1-CG 3.97Å; Y39-F51 HydrophobicContact CD2-CE2 4.37Å; Y39-F51 HydrophobicContact CE1-CE2 4.46Å; Y39-F51 AromaticContact CE2-CE2 3.87Å; Y39-F51 HydrophobicContact CE2-CE2 3.87Å; Y39-F51 HydrophobicContact CE2-CZ 4.41Å; Y39-F51 AromaticContact CZ-CE2 3.92Å; Y39-V85 WeakPolarHBondContact O-CG1 3.43Å
40Y91.8Very high94Very high119 Ų11962.9 Ų62.947%0.46731%0.309SS..THydrogen-bonded Turntrans-54.3132.9173.3-159.4-105.9000111.4I36 R42 V85I36-Y40 WeakPolarHBondContact O-CB 3.31Å; I36-Y40 PolarHBondContact O-N 3.4Å; I36-Y40 VanDerWaalsContact O-N 3.1Å; Y40-R42 PolarHBondContact O-N 3.37Å; Y40-V85 HydrophobicContact CD2-CG2 4.23Å
41N89.4Confident93.8Very high125 Ų12559.6 Ų59.667%0.66829%0.294SS*.THydrogen-bonded Turntrans59.420.9-178.1-60.8-23.4000116.2Y39Y39-N41 PolarHBondContact O-N 3.24Å
42R90.3Very high93.5Very high134 Ų13459.1 Ų59.151%0.50629%0.293SS..  trans-79.2155.1171.4-66.9-64.2-175.3-173.9-0.7112Y39 Y40 D46 L47 A89Y39-R42 HydrophobicContact CD1-CG 4.34Å; Y39-R42 WeakPolarHBondContact O-CB 3.34Å; Y39-R42 WeakPolarHBondContact O-CG 3.22Å; Y39-R42 PolarHBondContact O-N 2.81Å; Y39-R42 VanDerWaalsContact O-N 3.15Å; Y40-R42 PolarHBondContact O-N 3.37Å; R42-D46 HydrophobicContact CB-CB 4.27Å; R42-L47 HydrophobicContact CB-CG 4.4Å; R42-A89 WeakPolarHBondContact O-CB 3.38Å
43T92.4Very high93.2Very high43 Ų4365.6 Ų65.626%0.26432%0.323SS..  trans-82.5159.4175.970.90000111D46 L47 S90T43-D46 WeakPolarHBondContact CB-OD2 3.26Å; T43-D46 PolarHBondContact N-OD2 3.46Å; T43-D46 WeakPolarHBondContact O-CB 3.41Å; T43-D46 PolarHBondContact O-N 2.91Å; T43-D46 VanDerWaalsContact O-N 3.14Å; T43-D46 PolarHBondContact OG1-N 3.05Å; T43-D46 PolarHBondContact OG1-OD2 3.03Å; T43-L47 PolarHBondContact O-N 3.31Å; T43-S90 WeakPolarHBondContact CB-OG 3.33Å; T43-S90 WeakPolarHBondContact CG2-OG 3.32Å
44G90.9Very high93Very high3 Ų365.1 Ų65.13%0.03132%0.32CS..Hα-helixtrans-56-45.617500000112.8D46 L47 E48 S90G44-D46 VanDerWaalsContact C-N 3.33Å; G44-D46 PolarHBondContact O-N 3.01Å; G44-L47 WeakPolarHBondContact O-CB 3.31Å; G44-L47 PolarHBondContact O-N 2.88Å; G44-E48 PolarHBondContact O-N 3.32Å; G44-S90 WeakPolarHBondContact CA-O 3.17Å; G44-S90 PolarHBondContact N-O 3.41Å
45P92.6Very high92.9Very high72 Ų7260.9 Ų60.947%0.46830%0.297SS..Hα-helixtrans-60.1-37173.6-27.136.6000114.3S49P45-S49 WeakPolarHBondContact O-CB 3.47Å; P45-S49 PolarHBondContact O-N 3.27Å
46D92.4Very high92.8Very high66 Ų6661.8 Ų61.835%0.35330%0.304SS..Hα-helixtrans-64.6-46174.7-61.4-35.8000110.6R42 T43 G44 E48 S49 E50R42-D46 HydrophobicContact CB-CB 4.27Å; T43-D46 WeakPolarHBondContact CB-OD2 3.26Å; T43-D46 PolarHBondContact N-OD2 3.46Å; T43-D46 WeakPolarHBondContact O-CB 3.41Å; T43-D46 PolarHBondContact O-N 2.91Å; T43-D46 VanDerWaalsContact O-N 3.14Å; T43-D46 PolarHBondContact OG1-N 3.05Å; T43-D46 PolarHBondContact OG1-OD2 3.03Å; G44-D46 VanDerWaalsContact C-N 3.33Å; G44-D46 PolarHBondContact O-N 3.01Å; D46-E48 PolarHBondContact O-N 3.26Å; D46-S49 PolarHBondContact O-N 2.94Å; D46-E50 WeakPolarHBondContact O-CG 3.03Å; D46-E50 PolarHBondContact O-N 3.24Å
47L93.6Very high92.7Very high0 Ų064.7 Ų64.70%032%0.319CS..Hα-helixtrans-57.9-48.3176.6-74173.3000111F35 Y39 R42 T43 G44 S49 E50 F51 F86 A89 Y95F35-L47 HydrophobicContact CE2-CD2 4.4Å; F35-L47 HydrophobicContact CZ-CD2 4.39Å; Y39-L47 HydrophobicContact CD1-CD2 3.91Å; Y39-L47 HydrophobicContact CG-CD2 3.89Å; R42-L47 HydrophobicContact CB-CG 4.4Å; T43-L47 PolarHBondContact O-N 3.31Å; G44-L47 WeakPolarHBondContact O-CB 3.31Å; G44-L47 PolarHBondContact O-N 2.88Å; L47-S49 VanDerWaalsContact C-N 3.33Å; L47-S49 PolarHBondContact O-N 3.36Å; L47-E50 PolarHBondContact O-N 3.08Å; L47-F51 VanDerWaalsContact O-CB 3.31Å; L47-F51 WeakPolarHBondContact O-CB 3.33Å; L47-F51 WeakPolarHBondContact O-CD2 3.41Å; L47-F51 PolarHBondContact O-N 3.25Å; L47-F86 HydrophobicContact CD1-CD1 4.23Å; L47-A89 HydrophobicContact CD1-CB 4.1Å; L47-Y95 HydrophobicContact CD1-CE2 4.2Å
48E93.8Very high92.7Very high25 Ų2557.1 Ų57.112%0.11729%0.287CS..Hα-helixtrans-65-36.6178.4-72.5-54.5163.300113.1G44 D46 F51 A52 Q53 M54 A55 Y95G44-E48 PolarHBondContact O-N 3.32Å; D46-E48 PolarHBondContact O-N 3.26Å; E48-F51 CarbonylContact O-C 3.6Å; E48-F51 PolarHBondContact O-N 3.46Å; E48-A52 PolarHBondContact O-N 3.22Å; E48-Q53 PolarHBondContact O-N 3.19Å; E48-Q53 WeakPolarHBondContact OE2-CA 3.4Å; E48-M54 PolarHBondContact OE2-N 3.24Å; E48-A55 WeakPolarHBondContact OE1-CB 3.03Å; E48-A55 WeakPolarHBondContact OE2-CB 3.32Å; E48-A55 PolarHBondContact OE2-N 3.29Å; E48-Y95 WeakPolarHBondContact CG-OH 3.39Å; E48-Y95 WeakPolarHBondContact OE1-CE1 3.41Å; E48-Y95 PolarHBondContact OE1-OH 3.23Å
49S91.1Very high92.8Very high70 Ų7051.6 Ų51.649%0.4926%0.261SS..Hα-helixtrans-62.9-47.1175.5-177.40000111.1P45 D46 L47 A52P45-S49 WeakPolarHBondContact O-CB 3.47Å; P45-S49 PolarHBondContact O-N 3.27Å; D46-S49 PolarHBondContact O-N 2.94Å; L47-S49 VanDerWaalsContact C-N 3.33Å; L47-S49 PolarHBondContact O-N 3.36Å; S49-A52 PolarHBondContact O-N 3.43Å
50E90.7Very high92.8Very high108 Ų10851.6 Ų51.651%0.50527%0.266SS..Hα-helixtrans-68.6-34.9179.7-67.5-64.2146.500112.1Y39 D46 L47 A52Y39-E50 HydrophobicContact CE1-CB 3.86Å; Y39-E50 HydrophobicContact CE1-CG 3.97Å; D46-E50 WeakPolarHBondContact O-CG 3.03Å; D46-E50 PolarHBondContact O-N 3.24Å; L47-E50 PolarHBondContact O-N 3.08Å; E50-A52 VanDerWaalsContact C-N 3.3Å; E50-A52 PolarHBondContact O-N 3.32Å
51F92.5Very high93Very high4 Ų449 Ų492%0.01826%0.255CS..THydrogen-bonded Turntrans-89.514.2177.2-82-105.2000114V13 L16 F35 Y39 L47 E48 Q53 M54 A55 F58V13-F51 HydrophobicContact CG1-CD1 4.1Å; V13-F51 HydrophobicContact CG2-CB 4.28Å; V13-F51 HydrophobicContact CG2-CD1 4.18Å; V13-F51 HydrophobicContact CG2-CG 4.38Å; L16-F51 HydrophobicContact CD2-CE1 3.68Å; L16-F51 HydrophobicContact CD2-CZ 4.02Å; F35-F51 HydrophobicContact CD2-CE2 4.1Å; F35-F51 AromaticContact CD2-CZ 3.74Å; F35-F51 HydrophobicContact CD2-CZ 3.74Å; F35-F51 AromaticContact CE2-CE2 3.71Å; F35-F51 HydrophobicContact CE2-CE2 3.71Å; F35-F51 AromaticContact CE2-CZ 3.62Å; F35-F51 HydrophobicContact CE2-CZ 3.62Å; Y39-F51 HydrophobicContact CD2-CE2 4.37Å; Y39-F51 HydrophobicContact CE1-CE2 4.46Å; Y39-F51 AromaticContact CE2-CE2 3.87Å; Y39-F51 HydrophobicContact CE2-CE2 3.87Å; Y39-F51 HydrophobicContact CE2-CZ 4.41Å; Y39-F51 AromaticContact CZ-CE2 3.92Å; L47-F51 VanDerWaalsContact O-CB 3.31Å; L47-F51 WeakPolarHBondContact O-CB 3.33Å; L47-F51 WeakPolarHBondContact O-CD2 3.41Å; L47-F51 PolarHBondContact O-N 3.25Å; E48-F51 CarbonylContact O-C 3.6Å; E48-F51 PolarHBondContact O-N 3.46Å; F51-Q53 PolarHBondContact O-N 3.15Å; F51-Q53 VanDerWaalsContact O-N 3.15Å; F51-M54 WeakPolarHBondContact O-CB 3.23Å; F51-M54 PolarHBondContact O-N 3.36Å; F51-A55 HydrophobicContact CB-CB 3.69Å; F51-A55 HydrophobicContact CD1-CB 4.45Å; F51-A55 HydrophobicContact CG-CB 3.99Å; F51-F58 HydrophobicContact CD1-CB 4.43Å; F51-F58 HydrophobicContact CE1-CB 3.98Å; F51-F58 AromaticContact CE1-CD1 3.84Å; F51-F58 HydrophobicContact CE1-CD1 3.84Å; F51-F58 HydrophobicContact CE1-CG 4.1Å; F51-F58 HydrophobicContact CZ-CD1 4.03Å
52A92.3Very high93.4Very high7 Ų743 Ų436%0.05822%0.223CC..THydrogen-bonded Turntrans49.641.217900000113.8A9 E48 S49 E50 M54A9-A52 HydrophobicContact CB-CB 3.85Å; E48-A52 PolarHBondContact O-N 3.22Å; S49-A52 PolarHBondContact O-N 3.43Å; E50-A52 VanDerWaalsContact C-N 3.3Å; E50-A52 PolarHBondContact O-N 3.32Å; A52-M54 VanDerWaalsContact C-N 3.27Å; A52-M54 HydrophobicContact CB-CE 3.94Å; A52-M54 PolarHBondContact O-N 3.02Å
53Q91.1Very high93.7Very high135 Ų13537.1 Ų37.163%0.63120%0.202SC*.THydrogen-bonded Turntrans65.523-177-54.9-67.5-20.900114.6E48 F51E48-Q53 PolarHBondContact O-N 3.19Å; E48-Q53 WeakPolarHBondContact OE2-CA 3.4Å; F51-Q53 PolarHBondContact O-N 3.15Å; F51-Q53 VanDerWaalsContact O-N 3.15Å
54M92.6Very high93.8Very high38 Ų3838.6 Ų38.619%0.18721%0.211CC..  trans-120.119.2-178.6-64-177.7-76.300112.8T10 V13 E48 F51 A52 S56 L57T10-M54 HydrophobicContact CG2-CE 3.73Å; V13-M54 HydrophobicContact CB-CE 3.74Å; V13-M54 HydrophobicContact CG1-CB 4.02Å; V13-M54 HydrophobicContact CG1-CE 3.77Å; V13-M54 HydrophobicContact CG1-SD 4.46Å; V13-M54 HydrophobicContact CG2-CE 4.44Å; E48-M54 PolarHBondContact OE2-N 3.24Å; F51-M54 WeakPolarHBondContact O-CB 3.23Å; F51-M54 PolarHBondContact O-N 3.36Å; A52-M54 VanDerWaalsContact C-N 3.27Å; A52-M54 HydrophobicContact CB-CE 3.94Å; A52-M54 PolarHBondContact O-N 3.02Å; M54-S56 VanDerWaalsContact C-N 3.28Å; M54-S56 PolarHBondContact O-N 3.38Å; M54-L57 HydrophobicContact CB-CD1 4.04Å; M54-L57 HydrophobicContact CB-CG 4.39Å; M54-L57 HydrophobicContact CG-CD1 4.18Å; M54-L57 WeakPolarHBondContact O-CB 3.47Å; M54-L57 PolarHBondContact O-N 2.86Å; M54-L57 HydrophobicContact SD-CD1 4.29Å
55A94.4Very high94.1Very high0 Ų039 Ų390%021%0.212CC..Hα-helixtrans-62.6-38-174.900000111.7E48 F51 L57 F58 L59 F86 Y95E48-A55 WeakPolarHBondContact OE1-CB 3.03Å; E48-A55 WeakPolarHBondContact OE2-CB 3.32Å; E48-A55 PolarHBondContact OE2-N 3.29Å; F51-A55 HydrophobicContact CB-CB 3.69Å; F51-A55 HydrophobicContact CD1-CB 4.45Å; F51-A55 HydrophobicContact CG-CB 3.99Å; A55-L57 PolarHBondContact O-N 2.65Å; A55-F58 WeakPolarHBondContact O-CB 3.48Å; A55-F58 PolarHBondContact O-N 3.1Å; A55-L59 PolarHBondContact O-N 3.21Å; A55-F86 HydrophobicContact CB-CE1 3.9Å; A55-Y95 HydrophobicContact CB-CE1 4.13Å; A55-Y95 WeakPolarHBondContact CB-OH 3.41Å
56S94.2Very high94.2Very high26 Ų2635.9 Ų35.918%0.18219%0.191CC..Hα-helixtrans-51.7-35.5171.9-67.90000114.1M54 F58 L59 A60 E98M54-S56 VanDerWaalsContact C-N 3.28Å; M54-S56 PolarHBondContact O-N 3.38Å; S56-F58 VanDerWaalsContact C-N 3.27Å; S56-F58 PolarHBondContact O-N 3.16Å; S56-L59 PolarHBondContact O-N 3.43Å; S56-A60 WeakPolarHBondContact O-CB 3.37Å; S56-A60 PolarHBondContact O-N 2.75Å; S56-E98 WeakPolarHBondContact CB-OE1 3.02Å; S56-E98 WeakPolarHBondContact CB-OE2 3.43Å; S56-E98 PolarHBondContact OG-OE1 2.86Å; S56-E98 PolarHBondContact OG-OE2 3.49Å
57L95.2Very high94.3Very high83 Ų8338.4 Ų38.444%0.43520%0.199SC..Hα-helixtrans-67.5-30.8178.7-63.2-176.4000112.2L17 M54 A55 R61L17-L57 HydrophobicContact CD1-CB 3.93Å; L17-L57 HydrophobicContact CD1-CD1 4.07Å; M54-L57 HydrophobicContact CB-CD1 4.04Å; M54-L57 HydrophobicContact CB-CG 4.39Å; M54-L57 HydrophobicContact CG-CD1 4.18Å; M54-L57 WeakPolarHBondContact O-CB 3.47Å; M54-L57 PolarHBondContact O-N 2.86Å; M54-L57 HydrophobicContact SD-CD1 4.29Å; A55-L57 PolarHBondContact O-N 2.65Å; L57-R61 WeakPolarHBondContact O-CG 3.49Å; L57-R61 PolarHBondContact O-NH1 2.91Å
58F95.9Very high94.4Very high0 Ų044.7 Ų44.70%023%0.232CC..Hα-helixtrans-78.6-42175-169.9-133.2000110.9L17 W20 L32 F35 F51 A55 S56 A60 R61 I62 F86L17-F58 HydrophobicContact CD2-CB 3.99Å; L17-F58 HydrophobicContact CD2-CD2 4.04Å; L17-F58 HydrophobicContact CD2-CG 4.44Å; W20-F58 AromaticContact CD2-CE2 3.92Å; W20-F58 HydrophobicContact CD2-CE2 3.92Å; W20-F58 AromaticContact CE3-CE2 3.59Å; W20-F58 HydrophobicContact CE3-CE2 3.59Å; W20-F58 HydrophobicContact CE3-CZ 4.09Å; W20-F58 HydrophobicContact CG-CE2 4.42Å; W20-F58 AromaticContact CZ3-CE2 3.93Å; W20-F58 HydrophobicContact CZ3-CE2 3.93Å; W20-F58 HydrophobicContact CZ3-CZ 4.05Å; L32-F58 HydrophobicContact CD2-CZ 4.09Å; F35-F58 HydrophobicContact CB-CE1 4.36Å; F35-F58 HydrophobicContact CD1-CE1 4.41Å; F35-F58 HydrophobicContact CD2-CD1 4.22Å; F35-F58 AromaticContact CD2-CE1 3.79Å; F35-F58 HydrophobicContact CD2-CE1 3.79Å; F35-F58 HydrophobicContact CE2-CD1 4.22Å; F35-F58 HydrophobicContact CE2-CE1 4.2Å; F35-F58 AromaticContact CG-CE1 3.92Å; F35-F58 HydrophobicContact CG-CE1 3.92Å; F51-F58 HydrophobicContact CD1-CB 4.43Å; F51-F58 HydrophobicContact CE1-CB 3.98Å; F51-F58 AromaticContact CE1-CD1 3.84Å; F51-F58 HydrophobicContact CE1-CD1 3.84Å; F51-F58 HydrophobicContact CE1-CG 4.1Å; F51-F58 HydrophobicContact CZ-CD1 4.03Å; A55-F58 WeakPolarHBondContact O-CB 3.48Å; A55-F58 PolarHBondContact O-N 3.1Å; S56-F58 VanDerWaalsContact C-N 3.27Å; S56-F58 PolarHBondContact O-N 3.16Å; F58-A60 PolarHBondContact O-N 2.93Å; F58-R61 WeakPolarHBondContact O-CB 3.21Å; F58-R61 PolarHBondContact O-N 3.46Å; F58-R61 VanDerWaalsContact O-N 3.14Å; F58-I62 HydrophobicContact CD1-CD1 4.09Å; F58-I62 HydrophobicContact CE1-CD1 3.91Å; F58-I62 HydrophobicContact CZ-CD1 4.2Å; F58-I62 WeakPolarHBondContact O-CG1 3.3Å; F58-I62 PolarHBondContact O-N 3.39Å; F58-I62 VanDerWaalsContact O-N 3.1Å; F58-F86 HydrophobicContact CD1-CE2 4.15Å; F58-F86 HydrophobicContact CD1-CZ 4.06Å
59L96.3Very high94.4Very high1 Ų144 Ų441%0.00523%0.23CC..Hα-helixtrans-54.9-48.5173.6176.161.6000112.1A55 S56 R61 I62 C63 L83 F86 Y95 E98A55-L59 PolarHBondContact O-N 3.21Å; S56-L59 PolarHBondContact O-N 3.43Å; L59-R61 PolarHBondContact O-N 2.69Å; L59-I62 WeakPolarHBondContact O-CB 3.33Å; L59-I62 PolarHBondContact O-N 2.66Å; L59-C63 PolarHBondContact O-N 2.99Å; L59-C63 PolarHBondContact O-SG 3.23Å; L59-L83 HydrophobicContact CD1-CD1 3.53Å; L59-F86 HydrophobicContact CB-CD1 4.36Å; L59-F86 HydrophobicContact CB-CE1 4.3Å; L59-F86 HydrophobicContact CB-CE2 4.46Å; L59-F86 HydrophobicContact CB-CG 4.47Å; L59-F86 HydrophobicContact CB-CZ 4.35Å; L59-F86 HydrophobicContact CD1-CB 4.13Å; L59-F86 HydrophobicContact CD1-CD2 4.05Å; L59-F86 HydrophobicContact CD1-CG 4.05Å; L59-Y95 HydrophobicContact CD2-CD1 3.86Å; L59-Y95 HydrophobicContact CD2-CG 4Å; L59-E98 HydrophobicContact CD2-CB 4.38Å
60A96.1Very high94.4Very high24 Ų2443.2 Ų43.220%0.19822%0.216CC..Hα-helixtrans-56.2-39.7178.600000112.2S56 F58 C63 V64S56-A60 WeakPolarHBondContact O-CB 3.37Å; S56-A60 PolarHBondContact O-N 2.75Å; F58-A60 PolarHBondContact O-N 2.93Å; A60-C63 PolarHBondContact O-N 2.87Å; A60-V64 VanDerWaalsContact O-CG2 3.27Å; A60-V64 WeakPolarHBondContact O-CG2 3.49Å; A60-V64 PolarHBondContact O-N 2.97Å
61R96.2Very high94.4Very high64 Ų6443.5 Ų43.524%0.24222%0.219CC..Hα-helixtrans-66.7-39.8176.6-74.8169.2170.379.9-1.4112.6D21 L57 F58 L59 W65D21-R61 IonicContact OD1-CZ 4Å; D21-R61 IonicContact OD1-NE 3.97Å; D21-R61 PolarHBondContact OD1-NE 3.01Å; D21-R61 IonicContact OD1-NH2 2.92Å; D21-R61 IonicContact OD2-CZ 2.71Å; D21-R61 IonicContact OD2-NE 2.86Å; D21-R61 PolarHBondContact OD2-NE 3.28Å; D21-R61 IonicContact OD2-NH2 2.65Å; D21-R61 PolarHBondContact OD2-NH2 3.06Å; L57-R61 WeakPolarHBondContact O-CG 3.49Å; L57-R61 PolarHBondContact O-NH1 2.91Å; F58-R61 WeakPolarHBondContact O-CB 3.21Å; F58-R61 PolarHBondContact O-N 3.46Å; F58-R61 VanDerWaalsContact O-N 3.14Å; L59-R61 PolarHBondContact O-N 2.69Å; R61-W65 WeakPolarHBondContact O-CB 3.24Å; R61-W65 PolarHBondContact O-N 3.24Å
62I96.5Very high94.4Very high0 Ų047 Ų470%024%0.244CC..Hα-helixtrans-63.8-47.4174.7-63.1168.9000109.7W20 L32 F58 L59 V64 W65 I66 A82 F86W20-I62 HydrophobicContact CH2-CG1 4.31Å; W20-I62 HydrophobicContact CZ2-CG1 4.45Å; L32-I62 HydrophobicContact CD2-CD1 3.99Å; L32-I62 HydrophobicContact CD2-CG1 4.09Å; F58-I62 HydrophobicContact CD1-CD1 4.09Å; F58-I62 HydrophobicContact CE1-CD1 3.91Å; F58-I62 HydrophobicContact CZ-CD1 4.2Å; F58-I62 WeakPolarHBondContact O-CG1 3.3Å; F58-I62 PolarHBondContact O-N 3.39Å; F58-I62 VanDerWaalsContact O-N 3.1Å; L59-I62 WeakPolarHBondContact O-CB 3.33Å; L59-I62 PolarHBondContact O-N 2.66Å; I62-V64 PolarHBondContact O-N 3.29Å; I62-W65 PolarHBondContact O-N 3.05Å; I62-W65 VanDerWaalsContact O-N 3.12Å; I62-I66 HydrophobicContact CG2-CD1 3.94Å; I62-I66 HydrophobicContact CG2-CG1 4.43Å; I62-I66 WeakPolarHBondContact O-CG1 3.46Å; I62-I66 PolarHBondContact O-N 2.9Å; I62-A82 HydrophobicContact CD1-CB 3.97Å; I62-F86 HydrophobicContact CD1-CD2 4.47Å; I62-F86 HydrophobicContact CD1-CE2 3.96Å
63C96.7Very high94.3Very high10 Ų1047.6 Ų47.67%0.06825%0.25CS..Hα-helixtrans-57.9-46.2177.5-71.80000112.3L59 A60 W65 K67 H102L59-C63 PolarHBondContact O-N 2.99Å; L59-C63 PolarHBondContact O-SG 3.23Å; A60-C63 PolarHBondContact O-N 2.87Å; C63-W65 VanDerWaalsContact C-N 3.32Å; C63-W65 PolarHBondContact O-N 3.45Å; C63-K67 WeakPolarHBondContact O-CB 3.36Å; C63-K67 PolarHBondContact O-N 3.18Å; C63-H102 HydrophobicContact CB-CB 3.98Å
64V95.6Very high94.4Very high74 Ų7442.7 Ų42.745%0.44823%0.23SC..Hα-helixtrans-62.8-41175.8170.90000110.9A60 I62 K67 L68A60-V64 VanDerWaalsContact O-CG2 3.27Å; A60-V64 WeakPolarHBondContact O-CG2 3.49Å; A60-V64 PolarHBondContact O-N 2.97Å; I62-V64 PolarHBondContact O-N 3.29Å; V64-K67 PolarHBondContact O-N 3.1Å; V64-L68 HydrophobicContact CG1-CD1 4.2Å; V64-L68 WeakPolarHBondContact O-CG 3.47Å; V64-L68 PolarHBondContact O-N 2.84Å
65W95.6Very high94.5Very high12 Ų1242 Ų425%0.04523%0.228CC..Hα-helixtrans-66.5-45.9-179.7-162.424.3000111.8W20 R28 L32 R61 I62 C63 K67 L68 T69 C75 Q79W20-W65 HydrophobicContact CH2-CD2 4.38Å; W20-W65 AromaticContact CH2-CE3 3.32Å; W20-W65 HydrophobicContact CH2-CE3 3.32Å; W20-W65 AromaticContact CH2-CZ3 3.54Å; W20-W65 HydrophobicContact CH2-CZ3 3.54Å; W20-W65 HydrophobicContact CZ2-CB 4.32Å; W20-W65 HydrophobicContact CZ2-CD2 4.02Å; W20-W65 AromaticContact CZ2-CE3 3.36Å; W20-W65 HydrophobicContact CZ2-CE3 3.36Å; W20-W65 HydrophobicContact CZ2-CG 4.45Å; W20-W65 HydrophobicContact CZ2-CZ3 4.01Å; W20-W65 HydrophobicContact CZ3-CE3 4.46Å; W20-W65 HydrophobicContact CZ3-CZ3 4.33Å; R28-W65 HydrophobicContact CB-CE3 4.36Å; R28-W65 HydrophobicContact CB-CH2 3.29Å; R28-W65 HydrophobicContact CB-CZ2 3.97Å; R28-W65 HydrophobicContact CB-CZ3 3.52Å; R28-W65 HydrophobicContact CG-CH2 4.27Å; R28-W65 HydrophobicContact CG-CZ3 4.45Å; L32-W65 HydrophobicContact CD1-CE3 4.28Å; L32-W65 HydrophobicContact CD1-CZ3 3.72Å; L32-W65 HydrophobicContact CG-CZ3 4.49Å; R61-W65 WeakPolarHBondContact O-CB 3.24Å; R61-W65 PolarHBondContact O-N 3.24Å; I62-W65 PolarHBondContact O-N 3.05Å; I62-W65 VanDerWaalsContact O-N 3.12Å; C63-W65 VanDerWaalsContact C-N 3.32Å; C63-W65 PolarHBondContact O-N 3.45Å; W65-K67 VanDerWaalsContact C-N 3.27Å; W65-K67 PolarHBondContact O-N 2.83Å; W65-L68 WeakPolarHBondContact O-CA 3.26Å; W65-L68 WeakPolarHBondContact O-CB 3.48Å; W65-L68 PolarHBondContact O-N 3.32Å; W65-T69 PolarHBondContact O-N 2.94Å; W65-T69 PolarHBondContact O-OG1 3.46Å; W65-C75 HydrophobicContact CH2-CB 3.88Å; W65-C75 HydrophobicContact CZ2-CB 4.45Å; W65-C75 HydrophobicContact CZ3-CB 4.49Å; W65-Q79 HydrophobicContact CD2-CG 4.38Å; W65-Q79 HydrophobicContact CE3-CG 3.65Å; W65-Q79 HydrophobicContact CZ3-CG 3.88Å
66I96.2Very high94.6Very high7 Ų742 Ų424%0.03623%0.229CC..Hα-helixtrans-52.4-48.6172.9-70.2168.4000110.2I62 L68 T69 Y70 L76 Q79 L80 L83 C107I62-I66 HydrophobicContact CG2-CD1 3.94Å; I62-I66 HydrophobicContact CG2-CG1 4.43Å; I62-I66 WeakPolarHBondContact O-CG1 3.46Å; I62-I66 PolarHBondContact O-N 2.9Å; I66-L68 PolarHBondContact O-N 3.4Å; I66-L68 VanDerWaalsContact O-N 3.15Å; I66-T69 PolarHBondContact O-N 3.4Å; I66-T69 VanDerWaalsContact O-N 3.07Å; I66-Y70 WeakPolarHBondContact O-CB 3.4Å; I66-Y70 WeakPolarHBondContact O-CD1 3.33Å; I66-Y70 PolarHBondContact O-N 3.25Å; I66-L76 HydrophobicContact CG1-CD1 4.42Å; I66-L76 HydrophobicContact CG2-CD1 4.3Å; I66-Q79 VanDerWaalsContact CA-OE1 3.31Å; I66-Q79 HydrophobicContact CD1-CB 4.06Å; I66-Q79 HydrophobicContact CG1-CB 3.65Å; I66-Q79 HydrophobicContact CG1-CG 4.24Å; I66-L80 HydrophobicContact CD1-CD2 4.43Å; I66-L83 HydrophobicContact CD1-CD2 3.89Å; I66-C107 HydrophobicContact CG2-CB 4.44Å
67K94.9Very high94.7Very high118 Ų11842 Ų4251%0.51323%0.227SC..Hα-helixtrans-59.2-28.3-179.9-170.6171.3-176170.80113.2C63 V64 W65 Y70C63-K67 WeakPolarHBondContact O-CB 3.36Å; C63-K67 PolarHBondContact O-N 3.18Å; V64-K67 PolarHBondContact O-N 3.1Å; W65-K67 VanDerWaalsContact C-N 3.27Å; W65-K67 PolarHBondContact O-N 2.83Å; K67-Y70 WeakPolarHBondContact O-CD1 3.49Å; K67-Y70 VanDerWaalsContact O-CE1 3.3Å; K67-Y70 WeakPolarHBondContact O-CE1 3.45Å
68L94.2Very high94.9Very high133 Ų13339.7 Ų39.770%0.69621%0.214SC*.Hα-helixtrans-86.5-29.8176.5-65.8172000113V64 W65 I66V64-L68 HydrophobicContact CG1-CD1 4.2Å; V64-L68 WeakPolarHBondContact O-CG 3.47Å; V64-L68 PolarHBondContact O-N 2.84Å; W65-L68 WeakPolarHBondContact O-CA 3.26Å; W65-L68 WeakPolarHBondContact O-CB 3.48Å; W65-L68 PolarHBondContact O-N 3.32Å; I66-L68 PolarHBondContact O-N 3.4Å; I66-L68 VanDerWaalsContact O-N 3.15Å
69T93.3Very high95Very high11 Ų1139.7 Ų39.77%0.06721%0.214CC..Hα-helixtrans-113-6.8-169.755.80000115.6W65 I66 M71 S72 G73 Q79W65-T69 PolarHBondContact O-N 2.94Å; W65-T69 PolarHBondContact O-OG1 3.46Å; I66-T69 PolarHBondContact O-N 3.4Å; I66-T69 VanDerWaalsContact O-N 3.07Å; T69-M71 PolarHBondContact O-N 3.43Å; T69-M71 VanDerWaalsContact O-N 3.15Å; T69-S72 PolarHBondContact O-N 3.27Å; T69-S72 PolarHBondContact O-OG 3.38Å; T69-S72 VanDerWaalsContact O-OG 3.11Å; T69-G73 PolarHBondContact O-N 3.38Å; T69-Q79 PolarHBondContact OG1-NE2 3.43Å; T69-Q79 VanDerWaalsContact OG1-NE2 3.13Å; T69-Q79 PolarHBondContact OG1-OE1 3.03Å; T69-Q79 VanDerWaalsContact OG1-OE1 3.07Å
70Y92.7Very high95Very high53 Ų5339.7 Ų39.721%0.20821%0.214CC..THydrogen-bonded Turntrans-59.9-31.3-175.575.6-88.1000113.3I66 K67 E110 V111I66-Y70 WeakPolarHBondContact O-CB 3.4Å; I66-Y70 WeakPolarHBondContact O-CD1 3.33Å; I66-Y70 PolarHBondContact O-N 3.25Å; K67-Y70 WeakPolarHBondContact O-CD1 3.49Å; K67-Y70 VanDerWaalsContact O-CE1 3.3Å; K67-Y70 WeakPolarHBondContact O-CE1 3.45Å; Y70-E110 HydrophobicContact CD2-CB 4.03Å; Y70-E110 HydrophobicContact CE2-CB 3.52Å; Y70-E110 HydrophobicContact CE2-CG 4.14Å; Y70-V111 HydrophobicContact CD2-CG2 4.27Å; Y70-V111 HydrophobicContact CG-CG2 4.45Å
71M89.7Confident95.1Very high113 Ų11340.8 Ų40.856%0.55722%0.215SC*.THydrogen-bonded Turntrans-74.8-32.5176.3-70.5-59.7-165.200113.6T69T69-M71 PolarHBondContact O-N 3.43Å; T69-M71 VanDerWaalsContact O-N 3.15Å
72S91.9Very high95.2Very high79 Ų7937.8 Ų37.855%0.55220%0.204SC*.THydrogen-bonded Turntrans-88.3-17.417864.60000112.8T69 T74T69-S72 PolarHBondContact O-N 3.27Å; T69-S72 PolarHBondContact O-OG 3.38Å; T69-S72 VanDerWaalsContact O-OG 3.11Å; S72-T74 PolarHBondContact O-N 2.73Å; S72-T74 PolarHBondContact OG-OG1 3Å
73G91.3Very high95.2Very high18 Ų1837.8 Ų37.819%0.18620%0.204CC..THydrogen-bonded Turntrans69.319.1-176.500000113.8T69 C75T69-G73 PolarHBondContact O-N 3.38Å; G73-C75 PolarHBondContact O-N 3.47Å
74T93Very high95.3Very high33 Ų3338.6 Ų38.620%0.20221%0.207CC..THydrogen-bonded Turntrans-71.1113.5-175.9-57.60000110.3E25 S72 L76 Q79E25-T74 HydrophobicContact CB-CG2 4.41Å; E25-T74 HydrophobicContact CG-CG2 4.21Å; E25-T74 WeakPolarHBondContact OE2-CG2 3.27Å; S72-T74 PolarHBondContact O-N 2.73Å; S72-T74 PolarHBondContact OG-OG1 3Å; T74-L76 PolarHBondContact O-N 3.21Å; T74-L76 VanDerWaalsContact O-N 3.08Å; T74-Q79 PolarHBondContact O-NE2 2.81Å
75C94.7Very high95.3Very high22 Ų2235.2 Ų35.215%0.14919%0.186CC..THydrogen-bonded Turntrans50.830-177.8-520000113.6R29 W65 G73 T77 E78 Q79R29-C75 HydrophobicContact CB-CB 4.41Å; R29-C75 HydrophobicContact CG-CB 4.47Å; W65-C75 HydrophobicContact CH2-CB 3.88Å; W65-C75 HydrophobicContact CZ2-CB 4.45Å; W65-C75 HydrophobicContact CZ3-CB 4.49Å; G73-C75 PolarHBondContact O-N 3.47Å; C75-T77 VanDerWaalsContact C-N 3.35Å; C75-T77 PolarHBondContact O-N 3.15Å; C75-E78 VanDerWaalsContact CA-OE2 3.27Å; C75-E78 WeakPolarHBondContact CA-OE2 3.35Å; C75-Q79 WeakPolarHBondContact O-CG 3.46Å; C75-Q79 PolarHBondContact O-N 3.45Å; C75-Q79 VanDerWaalsContact O-N 3.15Å
76L96.4Very high95.4Very high2 Ų234.6 Ų34.61%0.0118%0.184CC..Hα-helixtrans-70-33.8-171.2-174.960.8000111.8I66 T74 E78 Q79 L80 V111 D121I66-L76 HydrophobicContact CG1-CD1 4.42Å; I66-L76 HydrophobicContact CG2-CD1 4.3Å; T74-L76 PolarHBondContact O-N 3.21Å; T74-L76 VanDerWaalsContact O-N 3.08Å; L76-E78 PolarHBondContact O-N 2.94Å; L76-Q79 PolarHBondContact O-N 2.95Å; L76-L80 HydrophobicContact CD1-CD1 4.27Å; L76-L80 HydrophobicContact CD1-CD2 4.49Å; L76-L80 HydrophobicContact CD1-CG 4.1Å; L76-L80 HydrophobicContact CD2-CD1 4.49Å; L76-L80 HydrophobicContact CG-CD1 3.88Å; L76-L80 HydrophobicContact CG-CG 4.19Å; L76-L80 WeakPolarHBondContact O-CB 3.46Å; L76-L80 VanDerWaalsContact O-CG 3.22Å; L76-L80 WeakPolarHBondContact O-CG 3.47Å; L76-L80 PolarHBondContact O-N 2.82Å; L76-V111 HydrophobicContact CD2-CG1 4.09Å; L76-V111 HydrophobicContact CD2-CG2 3.98Å; L76-D121 HydrophobicContact CD2-CB 3.97Å; L76-D121 HydrophobicContact CG-CB 4.35Å
77T97.1Very high95.4Very high24 Ų2434.5 Ų34.515%0.14718%0.183CC..Hα-helixtrans-58.7-50.6177.7-570000110.8C75 Q79 L80 Q81 V120 D121C75-T77 VanDerWaalsContact C-N 3.35Å; C75-T77 PolarHBondContact O-N 3.15Å; T77-Q79 VanDerWaalsContact C-N 3.33Å; T77-Q79 PolarHBondContact O-N 2.95Å; T77-L80 PolarHBondContact O-N 3.02Å; T77-Q81 WeakPolarHBondContact O-CB 3.41Å; T77-Q81 VanDerWaalsContact O-CG 3.3Å; T77-Q81 WeakPolarHBondContact O-CG 3.31Å; T77-Q81 PolarHBondContact O-N 3.23Å; T77-V120 HydrophobicContact CG2-CG1 3.91Å; T77-D121 WeakPolarHBondContact CA-OD1 3.17Å; T77-D121 WeakPolarHBondContact CB-OD1 3.49Å; T77-D121 PolarHBondContact N-OD1 3.43Å; T77-D121 VanDerWaalsContact N-OD1 3.1Å; T77-D121 PolarHBondContact OG1-OD1 2.74Å
78E97.8Very high95.4Very high36 Ų3631.3 Ų31.317%0.16818%0.176CC..Hα-helixtrans-65.6-39-179.6-59.682.9176.100110.6R29 L32 I36 C75 L76 L80 Q81 A82R29-E78 WeakPolarHBondContact CD-OE1 3.34Å; R29-E78 HydrophobicContact CG-CG 3.85Å; L32-E78 HydrophobicContact CB-CB 4.02Å; L32-E78 HydrophobicContact CD1-CB 3.99Å; I36-E78 HydrophobicContact CD1-CB 4.45Å; C75-E78 VanDerWaalsContact CA-OE2 3.27Å; C75-E78 WeakPolarHBondContact CA-OE2 3.35Å; L76-E78 PolarHBondContact O-N 2.94Å; E78-L80 PolarHBondContact O-N 3.04Å; E78-Q81 PolarHBondContact O-N 2.81Å; E78-A82 WeakPolarHBondContact O-CB 3.46Å; E78-A82 PolarHBondContact O-N 3.15Å
79Q97.9Very high95.4Very high0 Ų025.3 Ų25.30%015%0.145CC..Hα-helixtrans-60.4-46.1175.2-70.5167.723.900112.1L32 W65 I66 T69 T74 C75 L76 T77 A82 L83L32-Q79 HydrophobicContact CD1-CB 4.26Å; L32-Q79 HydrophobicContact CD1-CG 3.67Å; W65-Q79 HydrophobicContact CD2-CG 4.38Å; W65-Q79 HydrophobicContact CE3-CG 3.65Å; W65-Q79 HydrophobicContact CZ3-CG 3.88Å; I66-Q79 VanDerWaalsContact CA-OE1 3.31Å; I66-Q79 HydrophobicContact CD1-CB 4.06Å; I66-Q79 HydrophobicContact CG1-CB 3.65Å; I66-Q79 HydrophobicContact CG1-CG 4.24Å; T69-Q79 PolarHBondContact OG1-NE2 3.43Å; T69-Q79 VanDerWaalsContact OG1-NE2 3.13Å; T69-Q79 PolarHBondContact OG1-OE1 3.03Å; T69-Q79 VanDerWaalsContact OG1-OE1 3.07Å; T74-Q79 PolarHBondContact O-NE2 2.81Å; C75-Q79 WeakPolarHBondContact O-CG 3.46Å; C75-Q79 PolarHBondContact O-N 3.45Å; C75-Q79 VanDerWaalsContact O-N 3.15Å; L76-Q79 PolarHBondContact O-N 2.95Å; T77-Q79 VanDerWaalsContact C-N 3.33Å; T77-Q79 PolarHBondContact O-N 2.95Å; Q79-A82 PolarHBondContact O-N 3.39Å; Q79-L83 WeakPolarHBondContact O-CB 3.43Å; Q79-L83 PolarHBondContact O-N 2.84Å
80L98.1Very high95.1Very high0 Ų028.1 Ų28.10%017%0.166CC..Hα-helixtrans-70.4-34.6-179.8-64.9169.9000112.3I66 L76 T77 E78 L83 H84 L108 D121 W124 A125 V128I66-L80 HydrophobicContact CD1-CD2 4.43Å; L76-L80 HydrophobicContact CD1-CD1 4.27Å; L76-L80 HydrophobicContact CD1-CD2 4.49Å; L76-L80 HydrophobicContact CD1-CG 4.1Å; L76-L80 HydrophobicContact CD2-CD1 4.49Å; L76-L80 HydrophobicContact CG-CD1 3.88Å; L76-L80 HydrophobicContact CG-CG 4.19Å; L76-L80 WeakPolarHBondContact O-CB 3.46Å; L76-L80 VanDerWaalsContact O-CG 3.22Å; L76-L80 WeakPolarHBondContact O-CG 3.47Å; L76-L80 PolarHBondContact O-N 2.82Å; T77-L80 PolarHBondContact O-N 3.02Å; E78-L80 PolarHBondContact O-N 3.04Å; L80-L83 PolarHBondContact O-N 3.48Å; L80-H84 WeakPolarHBondContact O-CB 3.48Å; L80-H84 PolarHBondContact O-N 3.5Å; L80-L108 HydrophobicContact CD2-CD2 3.27Å; L80-D121 HydrophobicContact CD1-CB 4.26Å; L80-D121 VanDerWaalsContact CD1-O 3.25Å; L80-D121 WeakPolarHBondContact CD1-O 3.45Å; L80-W124 HydrophobicContact CB-CB 3.64Å; L80-W124 HydrophobicContact CB-CG 4.44Å; L80-W124 HydrophobicContact CD1-CB 3.82Å; L80-W124 HydrophobicContact CG-CB 4.37Å; L80-A125 HydrophobicContact CD1-CB 4.37Å; L80-V128 WeakPolarHBondContact O-CG2 3.36Å
81Q98Very high94.9Very high48 Ų4831.2 Ų31.222%0.22419%0.185CC..Hα-helixtrans-64.5-45.9173.4-77.4176.2-2700112I36 T77 E78 L83 H84 V85 W124I36-Q81 HydrophobicContact CD1-CB 3.49Å; I36-Q81 VanDerWaalsContact CD1-CB 3.49Å; I36-Q81 HydrophobicContact CG1-CB 4.05Å; T77-Q81 WeakPolarHBondContact O-CB 3.41Å; T77-Q81 VanDerWaalsContact O-CG 3.3Å; T77-Q81 WeakPolarHBondContact O-CG 3.31Å; T77-Q81 PolarHBondContact O-N 3.23Å; E78-Q81 PolarHBondContact O-N 2.81Å; Q81-L83 VanDerWaalsContact C-N 3.31Å; Q81-L83 PolarHBondContact O-N 3.32Å; Q81-H84 WeakPolarHBondContact O-CB 3.39Å; Q81-H84 PolarHBondContact O-N 2.98Å; Q81-V85 PolarHBondContact O-N 3.26Å; Q81-V85 VanDerWaalsContact O-N 3.08Å; Q81-W124 HydrophobicContact CG-CD2 3.7Å; Q81-W124 HydrophobicContact CG-CE3 4.08Å; Q81-W124 HydrophobicContact CG-CG 4.3Å; Q81-W124 HydrophobicContact CG-CH2 3.9Å; Q81-W124 HydrophobicContact CG-CZ2 3.51Å; Q81-W124 HydrophobicContact CG-CZ3 4.16Å
82A97.6Very high94.9Very high0 Ų026.4 Ų26.40%016%0.163CC..Hα-helixtrans-62.6-41.3175.600000111.2L32 F35 I36 I62 E78 Q79 H84 V85 F86L32-A82 HydrophobicContact CD2-CB 3.8Å; F35-A82 HydrophobicContact CD1-CB 3.88Å; F35-A82 HydrophobicContact CE1-CB 4.06Å; I36-A82 HydrophobicContact CD1-CB 4.39Å; I36-A82 HydrophobicContact CG1-CB 4.12Å; I62-A82 HydrophobicContact CD1-CB 3.97Å; E78-A82 WeakPolarHBondContact O-CB 3.46Å; E78-A82 PolarHBondContact O-N 3.15Å; Q79-A82 PolarHBondContact O-N 3.39Å; A82-H84 VanDerWaalsContact C-N 3.32Å; A82-H84 PolarHBondContact O-N 3.45Å; A82-V85 WeakPolarHBondContact O-CB 3.48Å; A82-V85 PolarHBondContact O-N 2.86Å; A82-V85 VanDerWaalsContact O-N 3.17Å; A82-F86 WeakPolarHBondContact O-CD2 3.35Å; A82-F86 PolarHBondContact O-N 3.35Å
83L97.2Very high94.9Very high0 Ų028.8 Ų28.80%016%0.161CC..Hα-helixtrans-60.9-41.6174.4-173.763.4000112L59 I66 Q79 L80 Q81 V85 F86 L87 F99 L108 V128L59-L83 HydrophobicContact CD1-CD1 3.53Å; I66-L83 HydrophobicContact CD1-CD2 3.89Å; Q79-L83 WeakPolarHBondContact O-CB 3.43Å; Q79-L83 PolarHBondContact O-N 2.84Å; L80-L83 PolarHBondContact O-N 3.48Å; Q81-L83 VanDerWaalsContact C-N 3.31Å; Q81-L83 PolarHBondContact O-N 3.32Å; L83-V85 VanDerWaalsContact C-N 3.31Å; L83-V85 PolarHBondContact O-N 3.34Å; L83-F86 PolarHBondContact O-N 3.2Å; L83-L87 HydrophobicContact CD1-CD1 3.99Å; L83-L87 HydrophobicContact CD1-CG 4.18Å; L83-L87 HydrophobicContact CG-CD1 4.04Å; L83-L87 HydrophobicContact CG-CG 4.4Å; L83-L87 WeakPolarHBondContact O-CG 3.24Å; L83-L87 PolarHBondContact O-N 3.35Å; L83-F99 HydrophobicContact CD1-CD2 3.85Å; L83-F99 HydrophobicContact CD1-CE2 4.28Å; L83-F99 HydrophobicContact CD2-CD2 3.96Å; L83-F99 HydrophobicContact CD2-CE2 3.5Å; L83-F99 HydrophobicContact CD2-CZ 4.33Å; L83-F99 HydrophobicContact CG-CD2 4.41Å; L83-F99 HydrophobicContact CG-CE2 4.38Å; L83-L108 HydrophobicContact CD2-CD1 4.45Å; L83-V128 HydrophobicContact CD2-CG1 3.69Å; L83-V128 HydrophobicContact CD2-CG2 4.45Å; L83-V128 HydrophobicContact CG-CG1 3.93Å; L83-V128 HydrophobicContact CG-CG2 4.49Å
84H97.6Very high95Very high28 Ų2833.1 Ų33.113%0.1318%0.18CC..Hα-helixtrans-59.5-40.3174.6179.6-83.1000112L80 Q81 A82 F86 L87 S88 W124 V128 C131L80-H84 WeakPolarHBondContact O-CB 3.48Å; L80-H84 PolarHBondContact O-N 3.5Å; Q81-H84 WeakPolarHBondContact O-CB 3.39Å; Q81-H84 PolarHBondContact O-N 2.98Å; A82-H84 VanDerWaalsContact C-N 3.32Å; A82-H84 PolarHBondContact O-N 3.45Å; H84-F86 VanDerWaalsContact C-N 3.34Å; H84-F86 PolarHBondContact O-N 3.04Å; H84-L87 PolarHBondContact O-N 2.93Å; H84-S88 PolarHBondContact CE1-OG 3.06Å; H84-S88 VanDerWaalsContact O-CB 3.22Å; H84-S88 WeakPolarHBondContact O-CB 3.39Å; H84-S88 PolarHBondContact O-N 3.15Å; H84-S88 PolarHBondContact O-OG 3.05Å; H84-W124 HydrophobicContact CB-CE3 4.22Å; H84-W124 HydrophobicContact CB-CZ3 3.93Å; H84-W124 AromaticContact CG-CZ3 3.77Å; H84-V128 HydrophobicContact CB-CG2 3.94Å; H84-C131 PolarHBondContact CD2-SG 3.42Å
85V97Very high95.2Very high2 Ų231.9 Ų31.91%0.01217%0.171CC..Hα-helixtrans-57.2-47.3176.2171.50000111.1F35 Y39 Y40 Q81 A82 L83 A89F35-V85 HydrophobicContact CE1-CB 3.98Å; F35-V85 HydrophobicContact CE1-CG1 3.92Å; F35-V85 HydrophobicContact CZ-CG1 4.01Å; Y39-V85 WeakPolarHBondContact O-CG1 3.43Å; Y40-V85 HydrophobicContact CD2-CG2 4.23Å; Q81-V85 PolarHBondContact O-N 3.26Å; Q81-V85 VanDerWaalsContact O-N 3.08Å; A82-V85 WeakPolarHBondContact O-CB 3.48Å; A82-V85 PolarHBondContact O-N 2.86Å; A82-V85 VanDerWaalsContact O-N 3.17Å; L83-V85 VanDerWaalsContact C-N 3.31Å; L83-V85 PolarHBondContact O-N 3.34Å; V85-A89 PolarHBondContact O-N 2.97Å
86F97.1Very high95.3Very high0 Ų030.9 Ų30.90%017%0.165CC..Hα-helixtrans-62.9-49.1177.1-80.3-78.2000112.6F35 L47 A55 F58 L59 I62 A82 L83 H84 S92 Y95F35-F86 HydrophobicContact CE1-CD2 4.1Å; F35-F86 AromaticContact CE1-CE2 3.71Å; F35-F86 HydrophobicContact CE1-CE2 3.71Å; F35-F86 HydrophobicContact CE1-CZ 4.46Å; F35-F86 HydrophobicContact CE2-CE2 4.03Å; F35-F86 AromaticContact CE2-CZ 3.99Å; F35-F86 HydrophobicContact CE2-CZ 3.99Å; F35-F86 AromaticContact CZ-CD2 3.88Å; F35-F86 HydrophobicContact CZ-CD2 3.88Å; F35-F86 HydrophobicContact CZ-CE1 4.42Å; F35-F86 AromaticContact CZ-CE2 3.25Å; F35-F86 HydrophobicContact CZ-CE2 3.25Å; F35-F86 AromaticContact CZ-CZ 3.58Å; F35-F86 HydrophobicContact CZ-CZ 3.58Å; L47-F86 HydrophobicContact CD1-CD1 4.23Å; A55-F86 HydrophobicContact CB-CE1 3.9Å; F58-F86 HydrophobicContact CD1-CE2 4.15Å; F58-F86 HydrophobicContact CD1-CZ 4.06Å; L59-F86 HydrophobicContact CB-CD1 4.36Å; L59-F86 HydrophobicContact CB-CE1 4.3Å; L59-F86 HydrophobicContact CB-CE2 4.46Å; L59-F86 HydrophobicContact CB-CG 4.47Å; L59-F86 HydrophobicContact CB-CZ 4.35Å; L59-F86 HydrophobicContact CD1-CB 4.13Å; L59-F86 HydrophobicContact CD1-CD2 4.05Å; L59-F86 HydrophobicContact CD1-CG 4.05Å; I62-F86 HydrophobicContact CD1-CD2 4.47Å; I62-F86 HydrophobicContact CD1-CE2 3.96Å; A82-F86 WeakPolarHBondContact O-CD2 3.35Å; A82-F86 PolarHBondContact O-N 3.35Å; L83-F86 PolarHBondContact O-N 3.2Å; H84-F86 VanDerWaalsContact C-N 3.34Å; H84-F86 PolarHBondContact O-N 3.04Å; F86-S92 WeakPolarHBondContact O-CB 3.3Å; F86-Y95 HydrophobicContact CB-CD2 4.28Å; F86-Y95 HydrophobicContact CD1-CD1 4.28Å; F86-Y95 AromaticContact CD1-CD2 3.92Å; F86-Y95 HydrophobicContact CD1-CD2 3.92Å; F86-Y95 HydrophobicContact CD1-CE1 4.26Å; F86-Y95 AromaticContact CD1-CE2 3.86Å; F86-Y95 HydrophobicContact CD1-CE2 3.86Å; F86-Y95 HydrophobicContact CD1-CG 4.13Å; F86-Y95 HydrophobicContact CE1-CE1 4.49Å; F86-Y95 WeakPolarHBondContact O-CD2 3.5Å
87L96.4Very high95.2Very high4 Ų434.6 Ų34.62%0.02118%0.184CC..Hα-helixtrans-82.2-24.7-168.3-58.7-170.2000113.7L83 H84 S92 L96 F99 V128 C131 V132L83-L87 HydrophobicContact CD1-CD1 3.99Å; L83-L87 HydrophobicContact CD1-CG 4.18Å; L83-L87 HydrophobicContact CG-CD1 4.04Å; L83-L87 HydrophobicContact CG-CG 4.4Å; L83-L87 WeakPolarHBondContact O-CG 3.24Å; L83-L87 PolarHBondContact O-N 3.35Å; H84-L87 PolarHBondContact O-N 2.93Å; L87-S92 PolarHBondContact O-OG 2.93Å; L87-S92 VanDerWaalsContact O-OG 3.11Å; L87-L96 HydrophobicContact CB-CD2 4.2Å; L87-L96 HydrophobicContact CD1-CD2 4.41Å; L87-L96 HydrophobicContact CD2-CD2 4.03Å; L87-L96 HydrophobicContact CD2-CG 4.22Å; L87-L96 HydrophobicContact CG-CD2 4.44Å; L87-F99 HydrophobicContact CD1-CB 4.09Å; L87-F99 HydrophobicContact CD1-CD1 3.8Å; L87-F99 HydrophobicContact CD1-CD2 4.08Å; L87-F99 HydrophobicContact CD1-CE1 4.28Å; L87-F99 HydrophobicContact CD1-CE2 4.5Å; L87-F99 HydrophobicContact CD1-CG 3.7Å; L87-F99 HydrophobicContact CD2-CB 4.17Å; L87-V128 HydrophobicContact CD1-CG1 3.83Å; L87-C131 HydrophobicContact CB-CB 4.18Å; L87-V132 HydrophobicContact CD1-CG2 4Å
88S94.9Very high95.1Very high52 Ų5235.3 Ų35.336%0.36419%0.186SC..Hα-helixtrans-83.2-13174.864.70000113.8H84H84-S88 PolarHBondContact CE1-OG 3.06Å; H84-S88 VanDerWaalsContact O-CB 3.22Å; H84-S88 WeakPolarHBondContact O-CB 3.39Å; H84-S88 PolarHBondContact O-N 3.15Å; H84-S88 PolarHBondContact O-OG 3.05Å
89A93.1Very high95Very high6 Ų633.8 Ų33.85%0.0518%0.178CC..SBendtrans-61.9143.1179.500000111.5R42 L47 V85 N91 S92R42-A89 WeakPolarHBondContact O-CB 3.38Å; L47-A89 HydrophobicContact CD1-CB 4.1Å; V85-A89 PolarHBondContact O-N 2.97Å; A89-N91 PolarHBondContact O-N 3.35Å; A89-S92 WeakPolarHBondContact O-CB 3.49Å; A89-S92 PolarHBondContact O-N 2.94Å; A89-S92 PolarHBondContact O-OG 3.25Å; A89-S92 VanDerWaalsContact O-OG 3.05Å
90S87.7Confident94.9Very high71 Ų7135.4 Ų35.450%0.49719%0.187SC..THydrogen-bonded Turntrans-63.6139.8173.260.30000110.5T43 G44T43-S90 WeakPolarHBondContact CB-OG 3.33Å; T43-S90 WeakPolarHBondContact CG2-OG 3.32Å; G44-S90 WeakPolarHBondContact CA-O 3.17Å; G44-S90 PolarHBondContact N-O 3.41Å
91N88.9Confident94.8Very high117 Ų11742.9 Ų42.963%0.62622%0.222SC*.THydrogen-bonded Turntrans65.134.4-176.1-150.654.4000114A89 Y93A89-N91 PolarHBondContact O-N 3.35Å; N91-Y93 VanDerWaalsContact C-N 3.27Å; N91-Y93 PolarHBondContact O-N 3.08Å
92S90Very high94.5Very high12 Ų1243.6 Ų43.68%0.08423%0.225CC..  trans-81.214.6-179.858.50000115.3F86 L87 A89 N94 Y95 L96F86-S92 WeakPolarHBondContact O-CB 3.3Å; L87-S92 PolarHBondContact O-OG 2.93Å; L87-S92 VanDerWaalsContact O-OG 3.11Å; A89-S92 WeakPolarHBondContact O-CB 3.49Å; A89-S92 PolarHBondContact O-N 2.94Å; A89-S92 PolarHBondContact O-OG 3.25Å; A89-S92 VanDerWaalsContact O-OG 3.05Å; S92-N94 VanDerWaalsContact C-N 3.3Å; S92-N94 PolarHBondContact O-N 3.34Å; S92-Y95 WeakPolarHBondContact O-CB 3.34Å; S92-Y95 PolarHBondContact O-N 2.76Å; S92-L96 WeakPolarHBondContact O-CG 3.44Å; S92-L96 PolarHBondContact O-N 2.93Å
93Y92.1Very high94.3Very high129 Ų12944.7 Ų44.751%0.50624%0.236SC..Hα-helixtrans-55.4-39.8-171.6-63-72.4000114N91 L96 L97N91-Y93 VanDerWaalsContact C-N 3.27Å; N91-Y93 PolarHBondContact O-N 3.08Å; Y93-L96 PolarHBondContact O-N 3.12Å; Y93-L97 WeakPolarHBondContact O-CG 3.36Å; Y93-L97 PolarHBondContact O-N 3.41Å
94N93.3Very high94.3Very high110 Ų11045 Ų4559%0.58824%0.24SC*.Hα-helixtrans-66.1-44.8176.9-67.6-18.6000111.4S92 L96 L97 E98S92-N94 VanDerWaalsContact C-N 3.3Å; S92-N94 PolarHBondContact O-N 3.34Å; N94-L96 VanDerWaalsContact C-N 3.3Å; N94-L96 PolarHBondContact O-N 3.22Å; N94-L97 PolarHBondContact O-N 3.41Å; N94-E98 WeakPolarHBondContact O-CG 3.29Å; N94-E98 PolarHBondContact O-N 2.92Å
95Y96.1Very high94.2Very high6 Ų643.9 Ų43.92%0.02424%0.235CC..Hα-helixtrans-62.3-38.6177-55-32.6000112.3L47 E48 A55 L59 F86 S92 F99L47-Y95 HydrophobicContact CD1-CE2 4.2Å; E48-Y95 WeakPolarHBondContact CG-OH 3.39Å; E48-Y95 WeakPolarHBondContact OE1-CE1 3.41Å; E48-Y95 PolarHBondContact OE1-OH 3.23Å; A55-Y95 HydrophobicContact CB-CE1 4.13Å; A55-Y95 WeakPolarHBondContact CB-OH 3.41Å; L59-Y95 HydrophobicContact CD2-CD1 3.86Å; L59-Y95 HydrophobicContact CD2-CG 4Å; F86-Y95 HydrophobicContact CB-CD2 4.28Å; F86-Y95 HydrophobicContact CD1-CD1 4.28Å; F86-Y95 AromaticContact CD1-CD2 3.92Å; F86-Y95 HydrophobicContact CD1-CD2 3.92Å; F86-Y95 HydrophobicContact CD1-CE1 4.26Å; F86-Y95 AromaticContact CD1-CE2 3.86Å; F86-Y95 HydrophobicContact CD1-CE2 3.86Å; F86-Y95 HydrophobicContact CD1-CG 4.13Å; F86-Y95 HydrophobicContact CE1-CE1 4.49Å; F86-Y95 WeakPolarHBondContact O-CD2 3.5Å; S92-Y95 WeakPolarHBondContact O-CB 3.34Å; S92-Y95 PolarHBondContact O-N 2.76Å; Y95-F99 VanDerWaalsContact O-CB 3.26Å; Y95-F99 WeakPolarHBondContact O-CB 3.47Å; Y95-F99 PolarHBondContact O-N 3.11Å
96L96.2Very high94.2Very high2 Ų248 Ų481%0.0126%0.257CS..Hα-helixtrans-63.7-45.6175.8-73.1163.3000111.3L87 S92 Y93 N94 F99 L100 V132 A135 Y139L87-L96 HydrophobicContact CB-CD2 4.2Å; L87-L96 HydrophobicContact CD1-CD2 4.41Å; L87-L96 HydrophobicContact CD2-CD2 4.03Å; L87-L96 HydrophobicContact CD2-CG 4.22Å; L87-L96 HydrophobicContact CG-CD2 4.44Å; S92-L96 WeakPolarHBondContact O-CG 3.44Å; S92-L96 PolarHBondContact O-N 2.93Å; Y93-L96 PolarHBondContact O-N 3.12Å; N94-L96 VanDerWaalsContact C-N 3.3Å; N94-L96 PolarHBondContact O-N 3.22Å; L96-F99 PolarHBondContact O-N 3.42Å; L96-L100 VanDerWaalsContact O-CD1 3.29Å; L96-L100 WeakPolarHBondContact O-CD1 3.41Å; L96-L100 PolarHBondContact O-N 3.41Å; L96-V132 HydrophobicContact CD2-CB 4.34Å; L96-V132 HydrophobicContact CD2-CG2 3.9Å; L96-A135 HydrophobicContact CD1-CB 3.43Å; L96-A135 VanDerWaalsContact CD1-CB 3.43Å; L96-A135 HydrophobicContact CD2-CB 4.44Å; L96-Y139 HydrophobicContact CB-CE1 3.77Å
97L95Very high94.1Very high79 Ų7948.7 Ų48.741%0.41426%0.261SS..Hα-helixtrans-60.9-49176.5-74.5170000111.4Y93 N94 F99 L100 E101Y93-L97 WeakPolarHBondContact O-CG 3.36Å; Y93-L97 PolarHBondContact O-N 3.41Å; N94-L97 PolarHBondContact O-N 3.41Å; L97-F99 VanDerWaalsContact C-N 3.33Å; L97-F99 PolarHBondContact O-N 3.34Å; L97-L100 WeakPolarHBondContact O-CB 3.34Å; L97-L100 PolarHBondContact O-N 2.93Å; L97-L100 VanDerWaalsContact O-N 3.13Å; L97-E101 WeakPolarHBondContact O-CG 3.48Å; L97-E101 PolarHBondContact O-N 3.29Å
98E94.9Very high94.2Very high40 Ų4048.6 Ų48.619%0.18726%0.26CS..Hα-helixtrans-59.2-44.3177.2-71.1173.1-150.900111.3S56 L59 N94 L100 E101 H102S56-E98 WeakPolarHBondContact CB-OE1 3.02Å; S56-E98 WeakPolarHBondContact CB-OE2 3.43Å; S56-E98 PolarHBondContact OG-OE1 2.86Å; S56-E98 PolarHBondContact OG-OE2 3.49Å; L59-E98 HydrophobicContact CD2-CB 4.38Å; N94-E98 WeakPolarHBondContact O-CG 3.29Å; N94-E98 PolarHBondContact O-N 2.92Å; E98-L100 VanDerWaalsContact C-N 3.3Å; E98-L100 PolarHBondContact O-N 3.2Å; E98-E101 PolarHBondContact O-N 3.28Å; E98-H102 PolarHBondContact O-N 2.95Å; E98-H102 PolarHBondContact O-ND1 3.14Å
99F96.8Very high94.3Very high3 Ų346.7 Ų46.71%0.01325%0.246CC..Hα-helixtrans-58.7-41.2176.4171.8-104.1000112.3L83 L87 Y95 L96 L97 G104 V105 L108 V128 V132L83-F99 HydrophobicContact CD1-CD2 3.85Å; L83-F99 HydrophobicContact CD1-CE2 4.28Å; L83-F99 HydrophobicContact CD2-CD2 3.96Å; L83-F99 HydrophobicContact CD2-CE2 3.5Å; L83-F99 HydrophobicContact CD2-CZ 4.33Å; L83-F99 HydrophobicContact CG-CD2 4.41Å; L83-F99 HydrophobicContact CG-CE2 4.38Å; L87-F99 HydrophobicContact CD1-CB 4.09Å; L87-F99 HydrophobicContact CD1-CD1 3.8Å; L87-F99 HydrophobicContact CD1-CD2 4.08Å; L87-F99 HydrophobicContact CD1-CE1 4.28Å; L87-F99 HydrophobicContact CD1-CE2 4.5Å; L87-F99 HydrophobicContact CD1-CG 3.7Å; L87-F99 HydrophobicContact CD2-CB 4.17Å; Y95-F99 VanDerWaalsContact O-CB 3.26Å; Y95-F99 WeakPolarHBondContact O-CB 3.47Å; Y95-F99 PolarHBondContact O-N 3.11Å; L96-F99 PolarHBondContact O-N 3.42Å; L97-F99 VanDerWaalsContact C-N 3.33Å; L97-F99 PolarHBondContact O-N 3.34Å; F99-G104 VanDerWaalsContact CZ-CA 3.42Å; F99-G104 WeakPolarHBondContact O-CA 3.48Å; F99-G104 PolarHBondContact O-N 3.32Å; F99-V105 HydrophobicContact CE1-CG2 3.95Å; F99-L108 HydrophobicContact CE2-CD1 4.25Å; F99-L108 HydrophobicContact CE2-CG 4.5Å; F99-L108 HydrophobicContact CZ-CD1 3.64Å; F99-L108 HydrophobicContact CZ-CG 4.04Å; F99-V128 HydrophobicContact CZ-CG1 4.44Å; F99-V132 HydrophobicContact CD1-CG2 3.85Å; F99-V132 HydrophobicContact CE1-CG2 3.71Å
100L95.8Very high94.4Very high35 Ų3550.3 Ų50.318%0.18326%0.262CS..Hα-helixtrans-63.7-47.5174.6-96.261.4000111.5L96 L97 E98 H102 G103 V105 V132 Y139 T142L96-L100 VanDerWaalsContact O-CD1 3.29Å; L96-L100 WeakPolarHBondContact O-CD1 3.41Å; L96-L100 PolarHBondContact O-N 3.41Å; L97-L100 WeakPolarHBondContact O-CB 3.34Å; L97-L100 PolarHBondContact O-N 2.93Å; L97-L100 VanDerWaalsContact O-N 3.13Å; E98-L100 VanDerWaalsContact C-N 3.3Å; E98-L100 PolarHBondContact O-N 3.2Å; L100-H102 VanDerWaalsContact C-N 3.27Å; L100-H102 PolarHBondContact O-N 2.93Å; L100-G103 WeakPolarHBondContact O-CA 3.41Å; L100-G103 PolarHBondContact O-N 3.3Å; L100-V105 HydrophobicContact CD1-CG2 4.13Å; L100-V105 HydrophobicContact CG-CG2 4.48Å; L100-V132 HydrophobicContact CD1-CG1 3.89Å; L100-Y139 HydrophobicContact CD1-CD1 4.14Å; L100-Y139 HydrophobicContact CD1-CE1 4.44Å; L100-Y139 HydrophobicContact CD2-CD1 3.73Å; L100-Y139 HydrophobicContact CD2-CE1 3.94Å; L100-T142 HydrophobicContact CD2-CG2 3.95Å; L100-T142 HydrophobicContact CG-CG2 4.29Å
101E94.5Very high94.9Very high157 Ų15747 Ų4773%0.73424%0.239SC*.Hα-helixtrans-60.7-34179.8-72.8177.6169.100113L97 E98 G103L97-E101 WeakPolarHBondContact O-CG 3.48Å; L97-E101 PolarHBondContact O-N 3.29Å; E98-E101 PolarHBondContact O-N 3.28Å; E101-G103 PolarHBondContact O-N 3.43Å
102H92.5Very high95.3Very high62 Ų6241.5 Ų41.529%0.28721%0.21SC..THydrogen-bonded Turntrans-74.4-1.7175.6-71.481.6000113.5C63 E98 L100 G104C63-H102 HydrophobicContact CB-CB 3.98Å; E98-H102 PolarHBondContact O-N 2.95Å; E98-H102 PolarHBondContact O-ND1 3.14Å; L100-H102 VanDerWaalsContact C-N 3.27Å; L100-H102 PolarHBondContact O-N 2.93Å; H102-G104 VanDerWaalsContact C-N 3.32Å
103G93.9Very high95.6Very high23 Ų2342.9 Ų42.924%0.23722%0.216CC..THydrogen-bonded Turntrans72.628-175.600000112.4L100 E101 V105 L106 C107L100-G103 WeakPolarHBondContact O-CA 3.41Å; L100-G103 PolarHBondContact O-N 3.3Å; E101-G103 PolarHBondContact O-N 3.43Å; G103-V105 VanDerWaalsContact C-N 3.31Å; G103-V105 PolarHBondContact O-N 2.95Å; G103-L106 PolarHBondContact O-N 2.94Å; G103-C107 PolarHBondContact O-N 3.48Å; G103-C107 PolarHBondContact O-SG 2.96Å; G103-C107 VanDerWaalsContact O-SG 3.38Å
104G95.9Very high95.7Very high7 Ų737.8 Ų37.87%0.07220%0.199CC..Hα-helixtrans-59.4-39.7-174.500000113.2F99 H102 L106 C107 L108F99-G104 VanDerWaalsContact CZ-CA 3.42Å; F99-G104 WeakPolarHBondContact O-CA 3.48Å; F99-G104 PolarHBondContact O-N 3.32Å; H102-G104 VanDerWaalsContact C-N 3.32Å; G104-L106 VanDerWaalsContact C-N 3.35Å; G104-L106 PolarHBondContact O-N 2.9Å; G104-C107 PolarHBondContact O-N 3.34Å; G104-L108 WeakPolarHBondContact O-CG 3.21Å; G104-L108 PolarHBondContact O-N 3.23Å
105V96.8Very high95.7Very high5 Ų538.4 Ų38.43%0.0321%0.212CC..Hα-helixtrans-55.7-48.1176.7173.60000111.5F99 L100 G103 C107 L108 Q109 L129 I143 C146F99-V105 HydrophobicContact CE1-CG2 3.95Å; L100-V105 HydrophobicContact CD1-CG2 4.13Å; L100-V105 HydrophobicContact CG-CG2 4.48Å; G103-V105 VanDerWaalsContact C-N 3.31Å; G103-V105 PolarHBondContact O-N 2.95Å; V105-C107 PolarHBondContact O-N 3.46Å; V105-L108 PolarHBondContact O-N 3.39Å; V105-Q109 VanDerWaalsContact O-CG 3.27Å; V105-Q109 WeakPolarHBondContact O-CG 3.43Å; V105-Q109 PolarHBondContact O-N 2.95Å; V105-L129 HydrophobicContact CG1-CD2 4.25Å; V105-I143 HydrophobicContact CG1-CG1 4.17Å; V105-I143 HydrophobicContact CG2-CG1 4.3Å; V105-C146 HydrophobicContact CG1-CB 3.99Å
106L96.4Very high95.5Very high89 Ų8942.7 Ų42.747%0.46624%0.243SC..Hα-helixtrans-64.4-41.9179.7-66.5171.7000111.4G103 G104 L108 Q109 E110 C146G103-L106 PolarHBondContact O-N 2.94Å; G104-L106 VanDerWaalsContact C-N 3.35Å; G104-L106 PolarHBondContact O-N 2.9Å; L106-L108 VanDerWaalsContact C-N 3.33Å; L106-L108 PolarHBondContact O-N 2.78Å; L106-Q109 PolarHBondContact O-N 3.15Å; L106-E110 WeakPolarHBondContact O-CG 3.32Å; L106-E110 PolarHBondContact O-N 3.38Å; L106-E110 VanDerWaalsContact O-N 3.12Å; L106-C146 HydrophobicContact CD2-CB 3.88Å
107C95.5Very high95.4Very high14 Ų1443.5 Ų43.510%0.09525%0.249CC..Hα-helixtrans-60.8-43.9177.8-61.60000111.4I66 G103 G104 V105 E110 V111I66-C107 HydrophobicContact CG2-CB 4.44Å; G103-C107 PolarHBondContact O-N 3.48Å; G103-C107 PolarHBondContact O-SG 2.96Å; G103-C107 VanDerWaalsContact O-SG 3.38Å; G104-C107 PolarHBondContact O-N 3.34Å; V105-C107 PolarHBondContact O-N 3.46Å; C107-E110 PolarHBondContact O-N 3.23Å; C107-V111 WeakPolarHBondContact O-CG2 3.4Å; C107-V111 PolarHBondContact O-N 3.39Å
108L97.2Very high95.5Very high1 Ų145.8 Ų45.81%0.00526%0.256CS..Hα-helixtrans-69.6-34.6179.3-63.7-167.1000112.9L80 L83 F99 G104 V105 L106 E110 V111 C112 A125 V128 L129L80-L108 HydrophobicContact CD2-CD2 3.27Å; L83-L108 HydrophobicContact CD2-CD1 4.45Å; F99-L108 HydrophobicContact CE2-CD1 4.25Å; F99-L108 HydrophobicContact CE2-CG 4.5Å; F99-L108 HydrophobicContact CZ-CD1 3.64Å; F99-L108 HydrophobicContact CZ-CG 4.04Å; G104-L108 WeakPolarHBondContact O-CG 3.21Å; G104-L108 PolarHBondContact O-N 3.23Å; V105-L108 PolarHBondContact O-N 3.39Å; L106-L108 VanDerWaalsContact C-N 3.33Å; L106-L108 PolarHBondContact O-N 2.78Å; L108-E110 VanDerWaalsContact C-N 3.33Å; L108-E110 PolarHBondContact O-N 3.34Å; L108-V111 WeakPolarHBondContact O-CB 3.47Å; L108-V111 PolarHBondContact O-N 3.01Å; L108-C112 PolarHBondContact O-N 3.36Å; L108-C112 PolarHBondContact O-SG 3.31Å; L108-A125 HydrophobicContact CB-CB 4.26Å; L108-A125 HydrophobicContact CD2-CB 4.23Å; L108-V128 HydrophobicContact CD1-CB 3.71Å; L108-V128 HydrophobicContact CD1-CG1 3.46Å; L108-V128 VanDerWaalsContact CD1-CG1 3.46Å; L108-L129 HydrophobicContact CB-CD1 4.18Å; L108-L129 HydrophobicContact CB-CD2 4.21Å; L108-L129 HydrophobicContact CB-CG 4.08Å; L108-L129 HydrophobicContact CD1-CD2 4.3Å; L108-L129 HydrophobicContact CD1-CG 4.08Å
109Q96.9Very high95.6Very high13 Ų1346 Ų466%0.06126%0.257CS..Hα-helixtrans-61.7-41.7173.5-72.61739.700112.1V105 L106 V111 C112 I113 C146 A151V105-Q109 VanDerWaalsContact O-CG 3.27Å; V105-Q109 WeakPolarHBondContact O-CG 3.43Å; V105-Q109 PolarHBondContact O-N 2.95Å; L106-Q109 PolarHBondContact O-N 3.15Å; Q109-V111 VanDerWaalsContact C-N 3.31Å; Q109-V111 PolarHBondContact O-N 2.85Å; Q109-C112 WeakPolarHBondContact O-CB 3.35Å; Q109-C112 PolarHBondContact O-N 3.24Å; Q109-C112 VanDerWaalsContact O-N 3.15Å; Q109-I113 PolarHBondContact O-N 3.03Å; Q109-I113 VanDerWaalsContact O-N 3.11Å; Q109-C146 PolarHBondContact NE2-O 3.44Å; Q109-C146 VanDerWaalsContact NE2-O 3.09Å; Q109-C146 PolarHBondContact OE1-O 2.94Å; Q109-A151 HydrophobicContact CB-CB 3.83Å; Q109-A151 HydrophobicContact CG-CB 3.9Å
110E96.3Very high95.6Very high81 Ų8149 Ų4938%0.37928%0.276SS..Hα-helixtrans-62.8-38.3175.6-68.4-63.5154.900111.8Y70 L106 C107 L108 C112 I113 S114Y70-E110 HydrophobicContact CD2-CB 4.03Å; Y70-E110 HydrophobicContact CE2-CB 3.52Å; Y70-E110 HydrophobicContact CE2-CG 4.14Å; L106-E110 WeakPolarHBondContact O-CG 3.32Å; L106-E110 PolarHBondContact O-N 3.38Å; L106-E110 VanDerWaalsContact O-N 3.12Å; C107-E110 PolarHBondContact O-N 3.23Å; L108-E110 VanDerWaalsContact C-N 3.33Å; L108-E110 PolarHBondContact O-N 3.34Å; E110-C112 VanDerWaalsContact C-N 3.34Å; E110-C112 PolarHBondContact O-N 3.29Å; E110-I113 PolarHBondContact O-N 3.24Å; E110-S114 VanDerWaalsContact O-CB 3.3Å; E110-S114 WeakPolarHBondContact O-CB 3.17Å; E110-S114 PolarHBondContact O-N 2.99Å
111V97.1Very high95.7Very high2 Ų247.5 Ų47.51%0.01227%0.267CS..Hα-helixtrans-59.7-45.3171.8176.90000110.8Y70 L76 C107 L108 Q109 I113 S114 A117 D121 A125Y70-V111 HydrophobicContact CD2-CG2 4.27Å; Y70-V111 HydrophobicContact CG-CG2 4.45Å; L76-V111 HydrophobicContact CD2-CG1 4.09Å; L76-V111 HydrophobicContact CD2-CG2 3.98Å; C107-V111 WeakPolarHBondContact O-CG2 3.4Å; C107-V111 PolarHBondContact O-N 3.39Å; L108-V111 WeakPolarHBondContact O-CB 3.47Å; L108-V111 PolarHBondContact O-N 3.01Å; Q109-V111 VanDerWaalsContact C-N 3.31Å; Q109-V111 PolarHBondContact O-N 2.85Å; V111-I113 PolarHBondContact O-N 3.44Å; V111-S114 PolarHBondContact O-N 3.11Å; V111-A117 HydrophobicContact CG1-CB 4.47Å; V111-D121 HydrophobicContact CG1-CB 4.29Å; V111-A125 HydrophobicContact CB-CB 4.21Å; V111-A125 HydrophobicContact CG1-CB 3.99Å
112C97.3Very high95.9Very high2 Ų240.6 Ų40.61%0.01424%0.235CC..Hα-helixtrans-60.9-41-179.1-69.40000113.2L108 Q109 E110 C155L108-C112 PolarHBondContact O-N 3.36Å; L108-C112 PolarHBondContact O-SG 3.31Å; Q109-C112 WeakPolarHBondContact O-CB 3.35Å; Q109-C112 PolarHBondContact O-N 3.24Å; Q109-C112 VanDerWaalsContact O-N 3.15Å; E110-C112 VanDerWaalsContact C-N 3.34Å; E110-C112 PolarHBondContact O-N 3.29Å; C112-C155 HydrophobicContact CB-CB 3.93Å; C112-C155 PolarHBondContact O-SG 3.23Å
113I96Very high96.2Very high41 Ų4139.6 Ų39.621%0.2123%0.229CC..Hα-helixtrans-89.6-10.7-177.466.7177.6000113.9Q109 E110 V111 S115 A151 E154Q109-I113 PolarHBondContact O-N 3.03Å; Q109-I113 VanDerWaalsContact O-N 3.11Å; E110-I113 PolarHBondContact O-N 3.24Å; V111-I113 PolarHBondContact O-N 3.44Å; I113-S115 PolarHBondContact O-N 3.01Å; I113-A151 HydrophobicContact CG2-CB 3.87Å; I113-A151 WeakPolarHBondContact CG2-O 3.49Å; I113-E154 HydrophobicContact CG2-CB 4.18Å; I113-E154 HydrophobicContact CG2-CG 4.22Å
114S95.2Very high96.4Very high22 Ų2240.2 Ų40.215%0.15422%0.224CC..  trans-64.2127.4-179.4176.10000111.8E110 V111 S116 A117 K122E110-S114 VanDerWaalsContact O-CB 3.3Å; E110-S114 WeakPolarHBondContact O-CB 3.17Å; E110-S114 PolarHBondContact O-N 2.99Å; V111-S114 PolarHBondContact O-N 3.11Å; S114-S116 VanDerWaalsContact C-N 3.31Å; S114-S116 PolarHBondContact OG-N 3.11Å; S114-S116 PolarHBondContact OG-OG 3.36Å; S114-A117 PolarHBondContact OG-N 3.39Å; S114-K122 WeakPolarHBondContact O-CE 3.49Å; S114-K122 PolarHBondContact O-NZ 3.41Å
115S92.9Very high96.5Very high123 Ų12339.9 Ų39.986%0.8622%0.22SC*.SBendtrans-73.6-22.6177.456.20000113.2I113I113-S115 PolarHBondContact O-N 3.01Å
116S91.9Very high96.6Very high96 Ų9639.6 Ų39.667%0.67122%0.219SC*.SBendtrans-95.3-12.8179.657.10000113.8S114S114-S116 VanDerWaalsContact C-N 3.31Å; S114-S116 PolarHBondContact OG-N 3.11Å; S114-S116 PolarHBondContact OG-OG 3.36Å
117A95.2Very high96.7Very high18 Ų1839.3 Ų39.315%0.14921%0.214CC..SBendtrans-66142178.800000111.7V111 S114 K122V111-A117 HydrophobicContact CG1-CB 4.47Å; S114-A117 PolarHBondContact OG-N 3.39Å; A117-K122 HydrophobicContact CB-CG 4.2Å; A117-K122 WeakPolarHBondContact O-CE 3.43Å
118K96.5Very high96.8Very high127 Ų12738.7 Ų38.755%0.55221%0.209SC*.  trans-65.6146175.5-57.1174-175.4166.60109.6V120 D121 K122K118-V120 PolarHBondContact O-N 2.86Å; K118-D121 HydrophobicContact CB-CB 4.46Å; K118-D121 WeakPolarHBondContact CB-OD2 3.38Å; K118-D121 PolarHBondContact O-N 2.92Å; K118-K122 PolarHBondContact O-N 3.01Å; K118-K122 VanDerWaalsContact O-N 3.12Å
119E96.9Very high96.9Very high46 Ų4638.6 Ų38.622%0.21521%0.209CC..Hα-helixtrans-61.4-32.8179-67.6-58.8130.800112.7K122 R123 S159 T164E119-K122 PolarHBondContact O-N 3.09Å; E119-K122 IonicContact OE1-NZ 2.8Å; E119-K122 PolarHBondContact OE1-NZ 3.42Å; E119-R123 WeakPolarHBondContact O-CB 3.46Å; E119-R123 PolarHBondContact O-N 2.78Å; E119-S159 PolarHBondContact OE2-OG 2.72Å; E119-T164 PolarHBondContact O-OG1 2.78Å
120V97.5Very high96.9Very high66 Ų6638.9 Ų38.940%0.421%0.213SC..Hα-helixtrans-64.5-39.6174.8178.20000111.6T77 K118 R123 W124T77-V120 HydrophobicContact CG2-CG1 3.91Å; K118-V120 PolarHBondContact O-N 2.86Å; V120-R123 PolarHBondContact O-N 3.04Å; V120-W124 VanDerWaalsContact O-CD1 3.3Å; V120-W124 PolarHBondContact O-N 3.44Å
121D97.6Very high97Very high2 Ų236 Ų361%0.01120%0.201CC..Hα-helixtrans-68.3-43.7178.7-63.2-33.3000110.9L76 T77 L80 V111 K118 R123 W124 A125L76-D121 HydrophobicContact CD2-CB 3.97Å; L76-D121 HydrophobicContact CG-CB 4.35Å; T77-D121 WeakPolarHBondContact CA-OD1 3.17Å; T77-D121 WeakPolarHBondContact CB-OD1 3.49Å; T77-D121 PolarHBondContact N-OD1 3.43Å; T77-D121 VanDerWaalsContact N-OD1 3.1Å; T77-D121 PolarHBondContact OG1-OD1 2.74Å; L80-D121 HydrophobicContact CD1-CB 4.26Å; L80-D121 VanDerWaalsContact CD1-O 3.25Å; L80-D121 WeakPolarHBondContact CD1-O 3.45Å; V111-D121 HydrophobicContact CG1-CB 4.29Å; K118-D121 HydrophobicContact CB-CB 4.46Å; K118-D121 WeakPolarHBondContact CB-OD2 3.38Å; K118-D121 PolarHBondContact O-N 2.92Å; D121-R123 VanDerWaalsContact C-N 3.29Å; D121-R123 PolarHBondContact O-N 3.36Å; D121-W124 PolarHBondContact O-N 3.14Å; D121-A125 WeakPolarHBondContact O-CB 3.46Å; D121-A125 PolarHBondContact O-N 3.35Å
122K98.2Very high97Very high12 Ų1235.9 Ų35.95%0.05220%0.2CC..Hα-helixtrans-57-45.1174-65.5178.2-172.1168.90111.3S114 A117 K118 E119 W124 A125 L126 T164S114-K122 WeakPolarHBondContact O-CE 3.49Å; S114-K122 PolarHBondContact O-NZ 3.41Å; A117-K122 HydrophobicContact CB-CG 4.2Å; A117-K122 WeakPolarHBondContact O-CE 3.43Å; K118-K122 PolarHBondContact O-N 3.01Å; K118-K122 VanDerWaalsContact O-N 3.12Å; E119-K122 PolarHBondContact O-N 3.09Å; E119-K122 IonicContact OE1-NZ 2.8Å; E119-K122 PolarHBondContact OE1-NZ 3.42Å; K122-W124 PolarHBondContact O-N 3.49Å; K122-A125 WeakPolarHBondContact O-CB 3.44Å; K122-A125 PolarHBondContact O-N 3.32Å; K122-L126 VanDerWaalsContact O-CG 3.3Å; K122-L126 WeakPolarHBondContact O-CG 3.44Å; K122-L126 PolarHBondContact O-N 3.45Å; K122-T164 HydrophobicContact CB-CG2 3.84Å
123R98.2Very high97Very high42 Ų4235.8 Ų35.816%0.15820%0.2CC..Hα-helixtrans-61.2-45.3178.4-166.9-179-52.2155.76.3112.3E119 V120 D121 L126 K127 S161 E163 T164E119-R123 WeakPolarHBondContact O-CB 3.46Å; E119-R123 PolarHBondContact O-N 2.78Å; V120-R123 PolarHBondContact O-N 3.04Å; D121-R123 VanDerWaalsContact C-N 3.29Å; D121-R123 PolarHBondContact O-N 3.36Å; R123-L126 PolarHBondContact O-N 2.92Å; R123-K127 WeakPolarHBondContact O-CG 3.25Å; R123-K127 PolarHBondContact O-N 2.97Å; R123-S161 PolarHBondContact NH2-OG 3.03Å; R123-E163 VanDerWaalsContact CZ-CB 3.44Å; R123-E163 IonicContact CZ-OE2 3.21Å; R123-E163 IonicContact NE-OE2 3.35Å; R123-E163 IonicContact NH1-OE1 2.76Å; R123-E163 IonicContact NH1-OE2 3.79Å; R123-E163 PolarHBondContact NH1-OE2 3.13Å; R123-E163 IonicContact NH2-OE2 2.78Å; R123-E163 PolarHBondContact NH2-OE2 3.42Å; R123-T164 PolarHBondContact NE-OG1 2.93Å
124W98.1Very high97Very high35 Ų3538.8 Ų38.813%0.13322%0.216CC..Hα-helixtrans-66.3-37.8176.4-82.9112.2000112.4L80 Q81 H84 V120 D121 K122 L126 K127 V128L80-W124 HydrophobicContact CB-CB 3.64Å; L80-W124 HydrophobicContact CB-CG 4.44Å; L80-W124 HydrophobicContact CD1-CB 3.82Å; L80-W124 HydrophobicContact CG-CB 4.37Å; Q81-W124 HydrophobicContact CG-CD2 3.7Å; Q81-W124 HydrophobicContact CG-CE3 4.08Å; Q81-W124 HydrophobicContact CG-CG 4.3Å; Q81-W124 HydrophobicContact CG-CH2 3.9Å; Q81-W124 HydrophobicContact CG-CZ2 3.51Å; Q81-W124 HydrophobicContact CG-CZ3 4.16Å; H84-W124 HydrophobicContact CB-CE3 4.22Å; H84-W124 HydrophobicContact CB-CZ3 3.93Å; H84-W124 AromaticContact CG-CZ3 3.77Å; V120-W124 VanDerWaalsContact O-CD1 3.3Å; V120-W124 PolarHBondContact O-N 3.44Å; D121-W124 PolarHBondContact O-N 3.14Å; K122-W124 PolarHBondContact O-N 3.49Å; W124-L126 VanDerWaalsContact C-N 3.32Å; W124-L126 PolarHBondContact O-N 3.11Å; W124-K127 HydrophobicContact CD2-CD 4.43Å; W124-K127 HydrophobicContact CE3-CB 4.31Å; W124-K127 HydrophobicContact CE3-CD 3.97Å; W124-K127 HydrophobicContact CZ3-CD 4.04Å; W124-K127 PolarHBondContact O-N 3.24Å; W124-V128 VanDerWaalsContact O-CG2 3.32Å; W124-V128 WeakPolarHBondContact O-CG2 3.37Å; W124-V128 PolarHBondContact O-N 3.42Å
125A98.4Very high97Very high0 Ų039 Ų390%022%0.22CC..Hα-helixtrans-59.2-43.8173.400000111.6L80 L108 V111 D121 K122 V128 L129L80-A125 HydrophobicContact CD1-CB 4.37Å; L108-A125 HydrophobicContact CB-CB 4.26Å; L108-A125 HydrophobicContact CD2-CB 4.23Å; V111-A125 HydrophobicContact CB-CB 4.21Å; V111-A125 HydrophobicContact CG1-CB 3.99Å; D121-A125 WeakPolarHBondContact O-CB 3.46Å; D121-A125 PolarHBondContact O-N 3.35Å; K122-A125 WeakPolarHBondContact O-CB 3.44Å; K122-A125 PolarHBondContact O-N 3.32Å; A125-V128 PolarHBondContact O-N 3.36Å; A125-L129 WeakPolarHBondContact O-CG 3.33Å; A125-L129 PolarHBondContact O-N 3.13Å
126L98.8Very high97.1Very high0 Ų034.5 Ų34.50%019%0.192CC..Hα-helixtrans-63.9-41.3175-67.8166.2000112.6K122 R123 W124 L129 S130 V152 T164 A168 L171K122-L126 VanDerWaalsContact O-CG 3.3Å; K122-L126 WeakPolarHBondContact O-CG 3.44Å; K122-L126 PolarHBondContact O-N 3.45Å; R123-L126 PolarHBondContact O-N 2.92Å; W124-L126 VanDerWaalsContact C-N 3.32Å; W124-L126 PolarHBondContact O-N 3.11Å; L126-L129 PolarHBondContact O-N 3.47Å; L126-S130 WeakPolarHBondContact O-CB 3.46Å; L126-S130 PolarHBondContact O-N 3.46Å; L126-S130 PolarHBondContact O-OG 3.25Å; L126-V152 HydrophobicContact CD2-CG1 3.95Å; L126-V152 HydrophobicContact CD2-CG2 4.14Å; L126-T164 HydrophobicContact CD1-CG2 3.9Å; L126-T164 WeakPolarHBondContact CD1-O 3.5Å; L126-A168 HydrophobicContact CD1-CB 3.83Å; L126-A168 HydrophobicContact CD2-CB 4.18Å; L126-L171 HydrophobicContact CD2-CD2 3.88Å
127K98.2Very high97.4Very high83 Ų8333 Ų3336%0.36118%0.179SC..Hα-helixtrans-61.7-44.9175.1-74.9-177.6175.4-171.80111.9R123 W124 S130 C131R123-K127 WeakPolarHBondContact O-CG 3.25Å; R123-K127 PolarHBondContact O-N 2.97Å; W124-K127 HydrophobicContact CD2-CD 4.43Å; W124-K127 HydrophobicContact CE3-CB 4.31Å; W124-K127 HydrophobicContact CE3-CD 3.97Å; W124-K127 HydrophobicContact CZ3-CD 4.04Å; W124-K127 PolarHBondContact O-N 3.24Å; K127-S130 WeakPolarHBondContact O-CB 3.14Å; K127-S130 PolarHBondContact O-N 2.85Å; K127-S130 VanDerWaalsContact O-N 3.16Å; K127-C131 PolarHBondContact O-N 3.48Å; K127-C131 PolarHBondContact O-SG 3.45Å; K127-C131 VanDerWaalsContact O-SG 3.34Å
128V98.1Very high97.4Very high0 Ų038 Ų380%020%0.199CC..Hα-helixtrans-64.1-44.4177.4175.50000111.1L80 L83 H84 L87 F99 L108 W124 A125 S130 C131 V132L80-V128 WeakPolarHBondContact O-CG2 3.36Å; L83-V128 HydrophobicContact CD2-CG1 3.69Å; L83-V128 HydrophobicContact CD2-CG2 4.45Å; L83-V128 HydrophobicContact CG-CG1 3.93Å; L83-V128 HydrophobicContact CG-CG2 4.49Å; H84-V128 HydrophobicContact CB-CG2 3.94Å; L87-V128 HydrophobicContact CD1-CG1 3.83Å; F99-V128 HydrophobicContact CZ-CG1 4.44Å; L108-V128 HydrophobicContact CD1-CB 3.71Å; L108-V128 HydrophobicContact CD1-CG1 3.46Å; L108-V128 VanDerWaalsContact CD1-CG1 3.46Å; W124-V128 VanDerWaalsContact O-CG2 3.32Å; W124-V128 WeakPolarHBondContact O-CG2 3.37Å; W124-V128 PolarHBondContact O-N 3.42Å; A125-V128 PolarHBondContact O-N 3.36Å; V128-S130 PolarHBondContact O-N 3.43Å; V128-C131 WeakPolarHBondContact O-CB 3.42Å; V128-C131 PolarHBondContact O-N 2.86Å; V128-C131 VanDerWaalsContact O-N 3.13Å; V128-V132 WeakPolarHBondContact O-CG2 3.49Å; V128-V132 PolarHBondContact O-N 3.24Å; V128-V132 VanDerWaalsContact O-N 3.13Å
129L98.5Very high97.5Very high0 Ų032.9 Ų32.90%018%0.176CC..Hα-helixtrans-60.7-33.1174-73.7171.7000112.2V105 L108 A125 L126 V132 A133 I143 L171V105-L129 HydrophobicContact CG1-CD2 4.25Å; L108-L129 HydrophobicContact CB-CD1 4.18Å; L108-L129 HydrophobicContact CB-CD2 4.21Å; L108-L129 HydrophobicContact CB-CG 4.08Å; L108-L129 HydrophobicContact CD1-CD2 4.3Å; L108-L129 HydrophobicContact CD1-CG 4.08Å; A125-L129 WeakPolarHBondContact O-CG 3.33Å; A125-L129 PolarHBondContact O-N 3.13Å; L126-L129 PolarHBondContact O-N 3.47Å; L129-V132 PolarHBondContact O-N 3.22Å; L129-A133 WeakPolarHBondContact O-CB 3.31Å; L129-A133 PolarHBondContact O-N 3.2Å; L129-I143 HydrophobicContact CD2-CD1 4.5Å; L129-L171 HydrophobicContact CB-CD1 4.36Å; L129-L171 HydrophobicContact CB-CD2 3.55Å; L129-L171 HydrophobicContact CD1-CD2 4.07Å; L129-L171 HydrophobicContact CG-CD2 4.47Å
130S98.3Very high97.5Very high19 Ų1931.7 Ų31.713%0.13317%0.171CC..Hα-helixtrans-67.1-39.3174.3-56.30000112.1L126 K127 V128 V132 A133 N134L126-S130 WeakPolarHBondContact O-CB 3.46Å; L126-S130 PolarHBondContact O-N 3.46Å; L126-S130 PolarHBondContact O-OG 3.25Å; K127-S130 WeakPolarHBondContact O-CB 3.14Å; K127-S130 PolarHBondContact O-N 2.85Å; K127-S130 VanDerWaalsContact O-N 3.16Å; V128-S130 PolarHBondContact O-N 3.43Å; S130-V132 VanDerWaalsContact C-N 3.3Å; S130-V132 PolarHBondContact O-N 3.29Å; S130-A133 PolarHBondContact O-N 3.22Å; S130-N134 WeakPolarHBondContact O-CB 3.35Å; S130-N134 VanDerWaalsContact O-CG 3.31Å; S130-N134 PolarHBondContact O-N 2.94Å; S130-N134 PolarHBondContact O-ND2 2.98Å; S130-N134 VanDerWaalsContact O-ND2 3.12Å
131C97Very high97.5Very high20 Ų2030.5 Ų30.514%0.13516%0.161CC..Hα-helixtrans-57.9-45.2171.4-59.50000111.2H84 L87 K127 V128 N134 A135H84-C131 PolarHBondContact CD2-SG 3.42Å; L87-C131 HydrophobicContact CB-CB 4.18Å; K127-C131 PolarHBondContact O-N 3.48Å; K127-C131 PolarHBondContact O-SG 3.45Å; K127-C131 VanDerWaalsContact O-SG 3.34Å; V128-C131 WeakPolarHBondContact O-CB 3.42Å; V128-C131 PolarHBondContact O-N 2.86Å; V128-C131 VanDerWaalsContact O-N 3.13Å; C131-N134 PolarHBondContact O-N 3.45Å; C131-A135 PolarHBondContact O-N 3.41Å
132V97.4Very high97.5Very high0 Ų031.7 Ų31.70%017%0.168CC..Hα-helixtrans-63.4-47.5178.1178.60000110.8L87 L96 F99 L100 V128 L129 S130 N134 A135 Y139 I143L87-V132 HydrophobicContact CD1-CG2 4Å; L96-V132 HydrophobicContact CD2-CB 4.34Å; L96-V132 HydrophobicContact CD2-CG2 3.9Å; F99-V132 HydrophobicContact CD1-CG2 3.85Å; F99-V132 HydrophobicContact CE1-CG2 3.71Å; L100-V132 HydrophobicContact CD1-CG1 3.89Å; V128-V132 WeakPolarHBondContact O-CG2 3.49Å; V128-V132 PolarHBondContact O-N 3.24Å; V128-V132 VanDerWaalsContact O-N 3.13Å; L129-V132 PolarHBondContact O-N 3.22Å; S130-V132 VanDerWaalsContact C-N 3.3Å; S130-V132 PolarHBondContact O-N 3.29Å; V132-N134 VanDerWaalsContact C-N 3.29Å; V132-N134 PolarHBondContact O-N 2.75Å; V132-A135 WeakPolarHBondContact O-CB 3.26Å; V132-A135 PolarHBondContact O-N 3.47Å; V132-A135 VanDerWaalsContact O-N 3.15Å; V132-Y139 HydrophobicContact CG1-CD1 4.17Å; V132-Y139 WeakPolarHBondContact O-CB 3.26Å; V132-I143 HydrophobicContact CB-CD1 4.1Å; V132-I143 HydrophobicContact CG1-CD1 3.86Å; V132-I143 HydrophobicContact CG1-CG1 4.26Å
133A97.8Very high97.5Very high0 Ų031.1 Ų31.10%017%0.166CC..Hα-helixtrans-62.3-35.1179.200000112.7L129 S130 A135 K140 I143 L171 I174 L175L129-A133 WeakPolarHBondContact O-CB 3.31Å; L129-A133 PolarHBondContact O-N 3.2Å; S130-A133 PolarHBondContact O-N 3.22Å; A133-A135 VanDerWaalsContact C-N 3.26Å; A133-A135 PolarHBondContact O-N 3.27Å; A133-K140 HydrophobicContact CB-CG 4.18Å; A133-K140 WeakPolarHBondContact O-CE 3.35Å; A133-K140 WeakPolarHBondContact O-CG 3.43Å; A133-I143 HydrophobicContact CB-CD1 3.85Å; A133-L171 HydrophobicContact CB-CD1 3.95Å; A133-I174 HydrophobicContact CB-CG2 3.61Å; A133-L175 HydrophobicContact CB-CD2 4.1Å
134N96.7Very high97.5Very high103 Ų10329.3 Ų29.355%0.55116%0.159SC*.Hα-helixtrans-73.2-13.9178.3-77-34.4000114S130 C131 V132 G136 I174S130-N134 WeakPolarHBondContact O-CB 3.35Å; S130-N134 VanDerWaalsContact O-CG 3.31Å; S130-N134 PolarHBondContact O-N 2.94Å; S130-N134 PolarHBondContact O-ND2 2.98Å; S130-N134 VanDerWaalsContact O-ND2 3.12Å; C131-N134 PolarHBondContact O-N 3.45Å; V132-N134 VanDerWaalsContact C-N 3.29Å; V132-N134 PolarHBondContact O-N 2.75Å; N134-G136 PolarHBondContact O-N 3.44Å; N134-I174 WeakPolarHBondContact OD1-CG2 3.46Å
135A95.5Very high97.5Very high28 Ų2832.4 Ų32.423%0.23118%0.175CC..THydrogen-bonded Turntrans-70.3-15.8178.500000113.9L96 C131 V132 A133 Y139L96-A135 HydrophobicContact CD1-CB 3.43Å; L96-A135 VanDerWaalsContact CD1-CB 3.43Å; L96-A135 HydrophobicContact CD2-CB 4.44Å; C131-A135 PolarHBondContact O-N 3.41Å; V132-A135 WeakPolarHBondContact O-CB 3.26Å; V132-A135 PolarHBondContact O-N 3.47Å; V132-A135 VanDerWaalsContact O-N 3.15Å; A133-A135 VanDerWaalsContact C-N 3.26Å; A133-A135 PolarHBondContact O-N 3.27Å; A135-Y139 HydrophobicContact CB-CD2 3.46Å; A135-Y139 VanDerWaalsContact CB-CD2 3.46Å; A135-Y139 HydrophobicContact CB-CE2 3.72Å; A135-Y139 HydrophobicContact CB-CG 3.94Å
136G95.2Very high97.4Very high27 Ų2734 Ų3428%0.27819%0.186SC..  trans142.2172.6172.100000113.7N134 H138 Y139 K140N134-G136 PolarHBondContact O-N 3.44Å; G136-H138 VanDerWaalsContact C-N 3.28Å; G136-H138 PolarHBondContact O-N 3.44Å; G136-Y139 PolarHBondContact O-N 3.32Å; G136-K140 PolarHBondContact O-N 3.09Å; G136-K140 VanDerWaalsContact O-N 3.17Å
137T97.1Very high97.3Very high66 Ų6641.5 Ų41.541%0.40522%0.215SC..Hα-helixtrans-55.4-40.2-174.3-52.90000112.9Y139 K140 E141 G178T137-Y139 VanDerWaalsContact C-N 3.32Å; T137-Y139 PolarHBondContact O-N 3.14Å; T137-K140 WeakPolarHBondContact O-CB 3.48Å; T137-K140 PolarHBondContact O-N 3.19Å; T137-E141 HydrophobicContact CG2-CG 4.31Å; T137-E141 WeakPolarHBondContact O-CG 3.47Å; T137-E141 PolarHBondContact O-N 3.26Å; T137-G178 PolarHBondContact OG1-O 2.65Å
138H95.7Very high97.3Very high122 Ų12237.5 Ų37.557%0.56520%0.198SC*.Hα-helixtrans-55.4-45.8177.317957.7000112.5G136 E141 T142G136-H138 VanDerWaalsContact C-N 3.28Å; G136-H138 PolarHBondContact O-N 3.44Å; H138-E141 PolarHBondContact O-N 3.11Å; H138-T142 PolarHBondContact O-N 3.01Å; H138-T142 PolarHBondContact O-OG1 3.43Å; H138-T142 VanDerWaalsContact O-OG1 3.07Å
139Y97.3Very high97.3Very high20 Ų2037.7 Ų37.78%0.07820%0.199CC..Hα-helixtrans-70.3-37179.8-63.2-83.6000112.4L96 L100 V132 A135 G136 T137 E141 T142 I143L96-Y139 HydrophobicContact CB-CE1 3.77Å; L100-Y139 HydrophobicContact CD1-CD1 4.14Å; L100-Y139 HydrophobicContact CD1-CE1 4.44Å; L100-Y139 HydrophobicContact CD2-CD1 3.73Å; L100-Y139 HydrophobicContact CD2-CE1 3.94Å; V132-Y139 HydrophobicContact CG1-CD1 4.17Å; V132-Y139 WeakPolarHBondContact O-CB 3.26Å; A135-Y139 HydrophobicContact CB-CD2 3.46Å; A135-Y139 VanDerWaalsContact CB-CD2 3.46Å; A135-Y139 HydrophobicContact CB-CE2 3.72Å; A135-Y139 HydrophobicContact CB-CG 3.94Å; G136-Y139 PolarHBondContact O-N 3.32Å; T137-Y139 VanDerWaalsContact C-N 3.32Å; T137-Y139 PolarHBondContact O-N 3.14Å; Y139-E141 VanDerWaalsContact C-N 3.32Å; Y139-E141 PolarHBondContact O-N 2.98Å; Y139-T142 PolarHBondContact O-N 3.02Å; Y139-I143 WeakPolarHBondContact O-CG1 3.33Å; Y139-I143 PolarHBondContact O-N 3.31Å
140K98.1Very high97.3Very high21 Ų2144.5 Ų44.59%0.09123%0.225CC..Hα-helixtrans-57.9-48171.4-60.7-175.1-177.3-163.80110.6A133 G136 T137 T142 I143 C144 I174 L175 E177 N179A133-K140 HydrophobicContact CB-CG 4.18Å; A133-K140 WeakPolarHBondContact O-CE 3.35Å; A133-K140 WeakPolarHBondContact O-CG 3.43Å; G136-K140 PolarHBondContact O-N 3.09Å; G136-K140 VanDerWaalsContact O-N 3.17Å; T137-K140 WeakPolarHBondContact O-CB 3.48Å; T137-K140 PolarHBondContact O-N 3.19Å; K140-T142 PolarHBondContact O-N 3.36Å; K140-I143 PolarHBondContact O-N 3.13Å; K140-C144 PolarHBondContact O-N 3.48Å; K140-C144 PolarHBondContact O-SG 3.38Å; K140-I174 WeakPolarHBondContact CD-O 3.3Å; K140-I174 WeakPolarHBondContact CE-O 3.44Å; K140-I174 PolarHBondContact NZ-O 2.93Å; K140-L175 HydrophobicContact CB-CD2 4.12Å; K140-L175 HydrophobicContact CG-CD2 4.46Å; K140-E177 PolarHBondContact NZ-O 3.07Å; K140-N179 HydrophobicContact CD-CB 4.28Å
141E98Very high97.3Very high41 Ų4143.7 Ų43.719%0.19222%0.219CC..Hα-helixtrans-62.2-42.4178.7-68.3-168.6-170.400111.8T137 H138 Y139 I143 C144 E145 R181 F182T137-E141 HydrophobicContact CG2-CG 4.31Å; T137-E141 WeakPolarHBondContact O-CG 3.47Å; T137-E141 PolarHBondContact O-N 3.26Å; H138-E141 PolarHBondContact O-N 3.11Å; Y139-E141 VanDerWaalsContact C-N 3.32Å; Y139-E141 PolarHBondContact O-N 2.98Å; E141-I143 VanDerWaalsContact C-N 3.35Å; E141-I143 PolarHBondContact O-N 3.26Å; E141-C144 PolarHBondContact O-N 3.34Å; E141-C144 VanDerWaalsContact O-N 3.12Å; E141-E145 WeakPolarHBondContact O-CB 3.46Å; E141-E145 VanDerWaalsContact O-CG 3.3Å; E141-E145 WeakPolarHBondContact O-CG 3.41Å; E141-E145 PolarHBondContact O-N 2.68Å; E141-R181 IonicContact OE2-CZ 2.89Å; E141-R181 IonicContact OE2-NH1 3.36Å; E141-R181 PolarHBondContact OE2-NH1 3.44Å; E141-F182 HydrophobicContact CB-CD2 4.34Å; E141-F182 HydrophobicContact CB-CE2 3.85Å; E141-F182 HydrophobicContact CG-CD2 3.88Å; E141-F182 HydrophobicContact CG-CE2 3.74Å
142T97.4Very high97.4Very high27 Ų2742.8 Ų42.817%0.16621%0.213CC..Hα-helixtrans-58.1-45.1174.4-550000112.1L100 H138 Y139 K140 C144 E145 C146L100-T142 HydrophobicContact CD2-CG2 3.95Å; L100-T142 HydrophobicContact CG-CG2 4.29Å; H138-T142 PolarHBondContact O-N 3.01Å; H138-T142 PolarHBondContact O-OG1 3.43Å; H138-T142 VanDerWaalsContact O-OG1 3.07Å; Y139-T142 PolarHBondContact O-N 3.02Å; K140-T142 PolarHBondContact O-N 3.36Å; T142-C144 VanDerWaalsContact C-N 3.31Å; T142-C144 PolarHBondContact O-N 3.11Å; T142-E145 PolarHBondContact O-N 3.19Å; T142-C146 WeakPolarHBondContact O-CB 3.17Å; T142-C146 PolarHBondContact O-N 2.85Å; T142-C146 PolarHBondContact O-SG 3.45Å
143I98.3Very high97.4Very high0 Ų043.2 Ų43.20%022%0.216CC..Hα-helixtrans-59.2-45.1175.8-66.9166.5000110.5V105 L129 V132 A133 Y139 K140 E141 C146 G148 L175V105-I143 HydrophobicContact CG1-CG1 4.17Å; V105-I143 HydrophobicContact CG2-CG1 4.3Å; L129-I143 HydrophobicContact CD2-CD1 4.5Å; V132-I143 HydrophobicContact CB-CD1 4.1Å; V132-I143 HydrophobicContact CG1-CD1 3.86Å; V132-I143 HydrophobicContact CG1-CG1 4.26Å; A133-I143 HydrophobicContact CB-CD1 3.85Å; Y139-I143 WeakPolarHBondContact O-CG1 3.33Å; Y139-I143 PolarHBondContact O-N 3.31Å; K140-I143 PolarHBondContact O-N 3.13Å; E141-I143 VanDerWaalsContact C-N 3.35Å; E141-I143 PolarHBondContact O-N 3.26Å; I143-C146 PolarHBondContact O-N 3.44Å; I143-G148 VanDerWaalsContact O-CA 3.26Å; I143-G148 WeakPolarHBondContact O-CA 3.38Å; I143-G148 PolarHBondContact O-N 3.05Å; I143-L175 HydrophobicContact CB-CD2 4.08Å; I143-L175 HydrophobicContact CD1-CD2 4.27Å; I143-L175 HydrophobicContact CG2-CD1 4.09Å; I143-L175 HydrophobicContact CG2-CD2 3.99Å
144C98.3Very high97.5Very high3 Ų345.6 Ų45.62%0.0223%0.227CC..Hα-helixtrans-65.7-42.9179.8-65.40000112.9K140 E141 T142 C146 Y147 I149 F182K140-C144 PolarHBondContact O-N 3.48Å; K140-C144 PolarHBondContact O-SG 3.38Å; E141-C144 PolarHBondContact O-N 3.34Å; E141-C144 VanDerWaalsContact O-N 3.12Å; T142-C144 VanDerWaalsContact C-N 3.31Å; T142-C144 PolarHBondContact O-N 3.11Å; C144-C146 VanDerWaalsContact C-N 3.26Å; C144-C146 PolarHBondContact O-N 2.98Å; C144-Y147 WeakPolarHBondContact O-CA 3.36Å; C144-Y147 PolarHBondContact O-N 2.89Å; C144-I149 HydrophobicContact CB-CD1 4.07Å; C144-I149 HydrophobicContact CB-CG1 4.35Å; C144-F182 HydrophobicContact CB-CB 4.08Å; C144-F182 HydrophobicContact CB-CD1 3.44Å; C144-F182 VanDerWaalsContact CB-CD1 3.44Å; C144-F182 HydrophobicContact CB-CD2 3.76Å; C144-F182 HydrophobicContact CB-CE1 3.68Å; C144-F182 HydrophobicContact CB-CE2 3.99Å; C144-F182 HydrophobicContact CB-CG 3.47Å; C144-F182 VanDerWaalsContact CB-CG 3.47Å; C144-F182 HydrophobicContact CB-CZ 3.94Å
145E97.2Very high97.5Very high101 Ų10140.8 Ų40.847%0.47220%0.202SC..Hα-helixtrans-63.8-32.6177-73177.616500111.9E141 T142 Y147 R181 F182E141-E145 WeakPolarHBondContact O-CB 3.46Å; E141-E145 VanDerWaalsContact O-CG 3.3Å; E141-E145 WeakPolarHBondContact O-CG 3.41Å; E141-E145 PolarHBondContact O-N 2.68Å; T142-E145 PolarHBondContact O-N 3.19Å; E145-Y147 PolarHBondContact O-N 2.93Å; E145-R181 IonicContact OE1-CZ 3.32Å; E145-R181 IonicContact OE1-NH1 3.56Å; E145-R181 PolarHBondContact OE1-NH1 2.84Å; E145-R181 IonicContact OE1-NH2 2.8Å; E145-R181 PolarHBondContact OE1-NH2 2.94Å; E145-F182 HydrophobicContact CG-CE2 4.36Å; E145-F182 HydrophobicContact CG-CZ 3.67Å
146C96.1Very high97.7Very high33 Ų3339.4 Ų39.422%0.22319%0.191CC..THydrogen-bonded Turntrans-76.717.2170.2-66.20000113.6V105 L106 Q109 T142 I143 C144 G148V105-C146 HydrophobicContact CG1-CB 3.99Å; L106-C146 HydrophobicContact CD2-CB 3.88Å; Q109-C146 PolarHBondContact NE2-O 3.44Å; Q109-C146 VanDerWaalsContact NE2-O 3.09Å; Q109-C146 PolarHBondContact OE1-O 2.94Å; T142-C146 WeakPolarHBondContact O-CB 3.17Å; T142-C146 PolarHBondContact O-N 2.85Å; T142-C146 PolarHBondContact O-SG 3.45Å; I143-C146 PolarHBondContact O-N 3.44Å; C144-C146 VanDerWaalsContact C-N 3.26Å; C144-C146 PolarHBondContact O-N 2.98Å; C146-G148 PolarHBondContact O-N 3.27Å
147Y96.8Very high97.8Very high157 Ų15739.3 Ų39.362%0.61619%0.187SC*.THydrogen-bonded Turntrans63.222.6-176.5-54.8-85.6000115.1C144 E145 I149 R150 A151C144-Y147 WeakPolarHBondContact O-CA 3.36Å; C144-Y147 PolarHBondContact O-N 2.89Å; E145-Y147 PolarHBondContact O-N 2.93Å; Y147-I149 VanDerWaalsContact C-N 3.29Å; Y147-I149 PolarHBondContact O-N 3.44Å; Y147-R150 PolarHBondContact O-N 3.17Å; Y147-R150 VanDerWaalsContact O-N 3.14Å; Y147-A151 PolarHBondContact O-N 2.82Å
148G98.1Very high97.8Very high0 Ų042.7 Ų42.70%020%0.196CC..Hα-helixtrans-59.9-35.5-176.300000113.9I143 C146 R150 A151 V152I143-G148 VanDerWaalsContact O-CA 3.26Å; I143-G148 WeakPolarHBondContact O-CA 3.38Å; I143-G148 PolarHBondContact O-N 3.05Å; C146-G148 PolarHBondContact O-N 3.27Å; G148-R150 VanDerWaalsContact C-N 3.3Å; G148-R150 PolarHBondContact O-N 3.01Å; G148-A151 PolarHBondContact O-N 3.27Å; G148-V152 WeakPolarHBondContact O-CB 3.47Å; G148-V152 VanDerWaalsContact O-CG2 3.23Å; G148-V152 WeakPolarHBondContact O-CG2 3.34Å; G148-V152 PolarHBondContact O-N 2.85Å
149I98.6Very high97.9Very high3 Ų337.1 Ų37.12%0.01517%0.171CC..Hα-helixtrans-56.3-46.5177-59.4170.6000110.9C144 Y147 A153 L172 L175 F182 Q185 V186C144-I149 HydrophobicContact CB-CD1 4.07Å; C144-I149 HydrophobicContact CB-CG1 4.35Å; Y147-I149 VanDerWaalsContact C-N 3.29Å; Y147-I149 PolarHBondContact O-N 3.44Å; I149-A153 VanDerWaalsContact O-CB 3.25Å; I149-A153 WeakPolarHBondContact O-CB 3.48Å; I149-A153 PolarHBondContact O-N 3.44Å; I149-L172 HydrophobicContact CG2-CD2 4.12Å; I149-L175 HydrophobicContact CG1-CD1 4.41Å; I149-F182 HydrophobicContact CD1-CB 4.24Å; I149-F182 HydrophobicContact CD1-CD1 4.43Å; I149-Q185 HydrophobicContact CD1-CB 3.84Å; I149-Q185 HydrophobicContact CD1-CG 3.73Å; I149-V186 HydrophobicContact CD1-CG2 3.62Å; I149-V186 HydrophobicContact CG1-CG2 3.92Å; I149-V186 HydrophobicContact CG2-CG2 4.45Å
150R98.3Very high97.8Very high144 Ų14445.5 Ų45.554%0.54321%0.208SC..Hα-helixtrans-64.9-45.6179.6-177.2-17866.186.1-1.2110.6Y147 G148 V152 A153 E154Y147-R150 PolarHBondContact O-N 3.17Å; Y147-R150 VanDerWaalsContact O-N 3.14Å; G148-R150 VanDerWaalsContact C-N 3.3Å; G148-R150 PolarHBondContact O-N 3.01Å; R150-V152 PolarHBondContact O-N 3.33Å; R150-A153 PolarHBondContact O-N 3.11Å; R150-E154 IonicContact NH1-OE2 2.95Å; R150-E154 PolarHBondContact NH1-OE2 3.35Å; R150-E154 WeakPolarHBondContact O-CB 3.37Å; R150-E154 PolarHBondContact O-N 3.05Å
151A98.3Very high97.8Very high2 Ų245.4 Ų45.42%0.01721%0.21CC..Hα-helixtrans-62.1-43.1-179.500000112Q109 I113 Y147 G148 C155Q109-A151 HydrophobicContact CB-CB 3.83Å; Q109-A151 HydrophobicContact CG-CB 3.9Å; I113-A151 HydrophobicContact CG2-CB 3.87Å; I113-A151 WeakPolarHBondContact CG2-O 3.49Å; Y147-A151 PolarHBondContact O-N 2.82Å; G148-A151 PolarHBondContact O-N 3.27Å; A151-C155 WeakPolarHBondContact O-CB 3.44Å; A151-C155 PolarHBondContact O-N 3.34Å
152V98.7Very high97.8Very high0 Ų048.6 Ų48.60%023%0.225CC..Hα-helixtrans-70.5-43.3179.5179.80000111.2L126 G148 R150 E154 C155 M156 A168 L171 L172L126-V152 HydrophobicContact CD2-CG1 3.95Å; L126-V152 HydrophobicContact CD2-CG2 4.14Å; G148-V152 WeakPolarHBondContact O-CB 3.47Å; G148-V152 VanDerWaalsContact O-CG2 3.23Å; G148-V152 WeakPolarHBondContact O-CG2 3.34Å; G148-V152 PolarHBondContact O-N 2.85Å; R150-V152 PolarHBondContact O-N 3.33Å; V152-E154 VanDerWaalsContact C-N 3.34Å; V152-E154 PolarHBondContact O-N 3.04Å; V152-C155 WeakPolarHBondContact O-CB 3.48Å; V152-C155 PolarHBondContact O-N 3.05Å; V152-M156 PolarHBondContact O-N 3.17Å; V152-A168 HydrophobicContact CG1-CB 3.92Å; V152-A168 VanDerWaalsContact CG1-O 3.27Å; V152-A168 WeakPolarHBondContact CG1-O 3.23Å; V152-L171 HydrophobicContact CG1-CB 4.26Å; V152-L171 HydrophobicContact CG1-CD2 4.12Å; V152-L171 HydrophobicContact CG1-CG 4.29Å; V152-L171 HydrophobicContact CG2-CD2 3.53Å; V152-L171 HydrophobicContact CG2-CG 4.23Å; V152-L172 HydrophobicContact CB-CD2 4.13Å; V152-L172 HydrophobicContact CB-CG 4.34Å; V152-L172 HydrophobicContact CG1-CD1 4.22Å; V152-L172 HydrophobicContact CG1-CD2 4.04Å; V152-L172 HydrophobicContact CG1-CG 3.7Å
153A98.7Very high97.8Very high10 Ų1052.6 Ų52.68%0.08324%0.242CC..Hα-helixtrans-62.6-40.517500000112I149 R150 M156 A157 L172 V193I149-A153 VanDerWaalsContact O-CB 3.25Å; I149-A153 WeakPolarHBondContact O-CB 3.48Å; I149-A153 PolarHBondContact O-N 3.44Å; R150-A153 PolarHBondContact O-N 3.11Å; A153-M156 WeakPolarHBondContact O-CB 3.33Å; A153-M156 PolarHBondContact O-N 2.9Å; A153-A157 WeakPolarHBondContact O-CB 3.33Å; A153-A157 PolarHBondContact O-N 3.48Å; A153-L172 HydrophobicContact CB-CD1 4.39Å; A153-V193 HydrophobicContact CB-CG2 3.86Å
154E98.3Very high97.8Very high49 Ų4952.6 Ų52.623%0.22924%0.242CC..Hα-helixtrans-65.5-39.4175-177.7169.5178.200111.9I113 R150 V152 A157 K158I113-E154 HydrophobicContact CG2-CB 4.18Å; I113-E154 HydrophobicContact CG2-CG 4.22Å; R150-E154 IonicContact NH1-OE2 2.95Å; R150-E154 PolarHBondContact NH1-OE2 3.35Å; R150-E154 WeakPolarHBondContact O-CB 3.37Å; R150-E154 PolarHBondContact O-N 3.05Å; V152-E154 VanDerWaalsContact C-N 3.34Å; V152-E154 PolarHBondContact O-N 3.04Å; E154-A157 PolarHBondContact O-N 3Å; E154-K158 HydrophobicContact CG-CD 3.89Å; E154-K158 WeakPolarHBondContact O-CB 3.32Å; E154-K158 PolarHBondContact O-N 2.7Å; E154-K158 IonicContact OE1-NZ 2.82Å; E154-K158 PolarHBondContact OE1-NZ 2.97Å
155C98.4Very high97.8Very high2 Ų252.7 Ų52.71%0.01424%0.242CC..Hα-helixtrans-59.9-46.6173-168.50000111.3C112 A151 V152 A157 K158 S159C112-C155 HydrophobicContact CB-CB 3.93Å; C112-C155 PolarHBondContact O-SG 3.23Å; A151-C155 WeakPolarHBondContact O-CB 3.44Å; A151-C155 PolarHBondContact O-N 3.34Å; V152-C155 WeakPolarHBondContact O-CB 3.48Å; V152-C155 PolarHBondContact O-N 3.05Å; C155-A157 PolarHBondContact O-N 2.71Å; C155-K158 PolarHBondContact O-N 3.49Å; C155-S159 WeakPolarHBondContact O-CB 3.46Å; C155-S159 PolarHBondContact O-N 3.26Å
156M98.6Very high97.9Very high0 Ų050.9 Ų50.90%023%0.233CC..Hα-helixtrans-59.7-43.9175.8-170.3179177.100112.1V152 A153 Q165 A168 R169 L172 L190 V193 A201 L204 A205V152-M156 PolarHBondContact O-N 3.17Å; A153-M156 WeakPolarHBondContact O-CB 3.33Å; A153-M156 PolarHBondContact O-N 2.9Å; M156-Q165 HydrophobicContact CG-CB 4.47Å; M156-Q165 WeakPolarHBondContact O-CG 3.43Å; M156-A168 HydrophobicContact CB-CB 3.73Å; M156-A168 HydrophobicContact CG-CB 4.24Å; M156-R169 HydrophobicContact CE-CB 3.93Å; M156-R169 HydrophobicContact CE-CG 4.38Å; M156-R169 HydrophobicContact SD-CB 4.32Å; M156-L172 HydrophobicContact SD-CD1 4.06Å; M156-L190 HydrophobicContact SD-CD2 4.44Å; M156-V193 HydrophobicContact CG-CG1 4.3Å; M156-V193 HydrophobicContact SD-CG1 4.32Å; M156-V193 HydrophobicContact SD-CG2 4.32Å; M156-A201 WeakPolarHBondContact CE-O 3.26Å; M156-A201 HydrophobicContact CG-CB 4.46Å; M156-A201 WeakPolarHBondContact O-CB 3.44Å; M156-L204 HydrophobicContact CE-CB 3.26Å; M156-L204 HydrophobicContact CE-CD1 4.24Å; M156-L204 HydrophobicContact CE-CG 4.41Å; M156-A205 HydrophobicContact CE-CB 4.09Å
157A98.2Very high98Very high25 Ų2550.1 Ų50.121%0.20723%0.229CC..Hα-helixtrans-70.3-31.4-178.300000113.8A153 E154 C155 V193 C196A153-A157 WeakPolarHBondContact O-CB 3.33Å; A153-A157 PolarHBondContact O-N 3.48Å; E154-A157 PolarHBondContact O-N 3Å; C155-A157 PolarHBondContact O-N 2.71Å; A157-V193 HydrophobicContact CB-CG1 4.19Å; A157-C196 HydrophobicContact CB-CB 3.91Å
158K97.3Very high98.1Very high136 Ų13642.7 Ų42.759%0.59120%0.199SC*.Hα-helixtrans-106.9-16.1-171.8-66.9-177.5177.41760114.8E154 C155E154-K158 HydrophobicContact CG-CD 3.89Å; E154-K158 WeakPolarHBondContact O-CB 3.32Å; E154-K158 PolarHBondContact O-N 2.7Å; E154-K158 IonicContact OE1-NZ 2.82Å; E154-K158 PolarHBondContact OE1-NZ 2.97Å; C155-K158 PolarHBondContact O-N 3.49Å
159S97.4Very high98.1Very high6 Ų645 Ų454%0.04221%0.208CC..  trans-63.9143.2179170.20000110.9E119 C155 S161 T164 Q165E119-S159 PolarHBondContact OE2-OG 2.72Å; C155-S159 WeakPolarHBondContact O-CB 3.46Å; C155-S159 PolarHBondContact O-N 3.26Å; S159-S161 PolarHBondContact OG-N 3.41Å; S159-S161 VanDerWaalsContact OG-N 3.11Å; S159-S161 PolarHBondContact OG-O 3.23Å; S159-T164 WeakPolarHBondContact OG-CB 3.49Å; S159-T164 WeakPolarHBondContact OG-CG2 3.35Å; S159-Q165 PolarHBondContact O-NE2 3.22Å
160K95.4Very high98.1Very high196 Ų19648 Ų4885%0.85222%0.224SC*.SBendtrans-92.6-7.7175.1-60.3-178.7-178.8-179.20113
161S97.4Very high98.2Very high19 Ų1941.1 Ų41.113%0.13320%0.198CC..  trans-105.9121.4-176.2174.10000109.9R123 S159 E163 T164 Q165R123-S161 PolarHBondContact NH2-OG 3.03Å; S159-S161 PolarHBondContact OG-N 3.41Å; S159-S161 VanDerWaalsContact OG-N 3.11Å; S159-S161 PolarHBondContact OG-O 3.23Å; S161-E163 VanDerWaalsContact C-N 3.27Å; S161-E163 PolarHBondContact O-N 3.16Å; S161-T164 WeakPolarHBondContact O-CB 3.39Å; S161-T164 PolarHBondContact O-N 2.93Å; S161-Q165 WeakPolarHBondContact O-CG 3.38Å; S161-Q165 PolarHBondContact O-N 3.38Å
162E97.7Very high98.2Very high107 Ų10741 Ų4150%0.520%0.197SC..Hα-helixtrans-57.5-41.9176.6-58.3-162.8-175.900111.9T164 Q165 E166 K200E162-T164 PolarHBondContact O-N 3.38Å; E162-Q165 CarbonylContact O-C 3.56Å; E162-Q165 WeakPolarHBondContact O-CB 3.36Å; E162-Q165 PolarHBondContact O-N 3.23Å; E162-Q165 VanDerWaalsContact O-N 3.08Å; E162-E166 WeakPolarHBondContact O-CG 3.39Å; E162-E166 PolarHBondContact O-N 3.05Å; E162-K200 HydrophobicContact CB-CG 4.11Å; E162-K200 HydrophobicContact CG-CB 4.32Å; E162-K200 HydrophobicContact CG-CD 4.39Å; E162-K200 HydrophobicContact CG-CG 3.84Å; E162-K200 WeakPolarHBondContact OE2-CD 3.35Å; E162-K200 WeakPolarHBondContact OE2-CE 3.44Å; E162-K200 IonicContact OE2-NZ 3.11Å; E162-K200 PolarHBondContact OE2-NZ 3.07Å
163E98Very high98.2Very high112 Ų11243.6 Ų43.652%0.52321%0.21SC..Hα-helixtrans-60.1-33.6177.5-57.9171133.300112.3R123 S161 S167R123-E163 VanDerWaalsContact CZ-CB 3.44Å; R123-E163 IonicContact CZ-OE2 3.21Å; R123-E163 IonicContact NE-OE2 3.35Å; R123-E163 IonicContact NH1-OE1 2.76Å; R123-E163 IonicContact NH1-OE2 3.79Å; R123-E163 PolarHBondContact NH1-OE2 3.13Å; R123-E163 IonicContact NH2-OE2 2.78Å; R123-E163 PolarHBondContact NH2-OE2 3.42Å; S161-E163 VanDerWaalsContact C-N 3.27Å; S161-E163 PolarHBondContact O-N 3.16Å; E163-S167 WeakPolarHBondContact O-CB 3.27Å; E163-S167 PolarHBondContact O-N 3.26Å; E163-S167 VanDerWaalsContact O-N 3.09Å; E163-S167 PolarHBondContact O-OG 3.36Å
164T98.4Very high98.1Very high0 Ų044.6 Ų44.60%021%0.213CC..Hα-helixtrans-75.8-38.8175.4-59.90000111E119 K122 R123 L126 S159 S161 E162 S167 A168E119-T164 PolarHBondContact O-OG1 2.78Å; K122-T164 HydrophobicContact CB-CG2 3.84Å; R123-T164 PolarHBondContact NE-OG1 2.93Å; L126-T164 HydrophobicContact CD1-CG2 3.9Å; L126-T164 WeakPolarHBondContact CD1-O 3.5Å; S159-T164 WeakPolarHBondContact OG-CB 3.49Å; S159-T164 WeakPolarHBondContact OG-CG2 3.35Å; S161-T164 WeakPolarHBondContact O-CB 3.39Å; S161-T164 PolarHBondContact O-N 2.93Å; E162-T164 PolarHBondContact O-N 3.38Å; T164-S167 PolarHBondContact O-N 2.8Å; T164-A168 WeakPolarHBondContact O-CB 3.38Å; T164-A168 PolarHBondContact O-N 3.09Å
165Q98.6Very high98.1Very high4 Ų442.3 Ų42.32%0.01920%0.202CC..Hα-helixtrans-63.3-40.8173.5-64.7170.8-7.800111.8M156 S159 S161 E162 A168 R169 S198 K200 A201 L204M156-Q165 HydrophobicContact CG-CB 4.47Å; M156-Q165 WeakPolarHBondContact O-CG 3.43Å; S159-Q165 PolarHBondContact O-NE2 3.22Å; S161-Q165 WeakPolarHBondContact O-CG 3.38Å; S161-Q165 PolarHBondContact O-N 3.38Å; E162-Q165 CarbonylContact O-C 3.56Å; E162-Q165 WeakPolarHBondContact O-CB 3.36Å; E162-Q165 PolarHBondContact O-N 3.23Å; E162-Q165 VanDerWaalsContact O-N 3.08Å; Q165-A168 PolarHBondContact O-N 3.46Å; Q165-R169 PolarHBondContact O-N 2.89Å; Q165-S198 PolarHBondContact NE2-OG 2.96Å; Q165-S198 PolarHBondContact OE1-OG 3.37Å; Q165-K200 VanDerWaalsContact OE1-CG 3.24Å; Q165-A201 HydrophobicContact CG-CB 4.48Å; Q165-L204 HydrophobicContact CB-CD1 3.83Å
166E98.5Very high98.1Very high63 Ų6342.6 Ų42.629%0.29421%0.205SC..Hα-helixtrans-63-45.9174.4-73175.7179.600111.1E162 A168 R169 D170 K200 L204E162-E166 WeakPolarHBondContact O-CG 3.39Å; E162-E166 PolarHBondContact O-N 3.05Å; E166-A168 PolarHBondContact O-N 2.85Å; E166-R169 WeakPolarHBondContact O-CB 3.43Å; E166-R169 PolarHBondContact O-N 3.38Å; E166-D170 PolarHBondContact O-N 2.71Å; E166-K200 VanDerWaalsContact OE1-CE 3.27Å; E166-K200 WeakPolarHBondContact OE1-CE 3.2Å; E166-K200 IonicContact OE1-NZ 3.77Å; E166-K200 PolarHBondContact OE1-NZ 3.28Å; E166-L204 HydrophobicContact CG-CD1 3.92Å; E166-L204 HydrophobicContact CG-CD2 4.11Å
167S98.6Very high98Very high18 Ų1848.5 Ų48.513%0.12623%0.233CC..Hα-helixtrans-60.7-35.1175.2-58.50000112.3E163 T164 L171E163-S167 WeakPolarHBondContact O-CB 3.27Å; E163-S167 PolarHBondContact O-N 3.26Å; E163-S167 VanDerWaalsContact O-N 3.09Å; E163-S167 PolarHBondContact O-OG 3.36Å; T164-S167 PolarHBondContact O-N 2.8Å; S167-L171 PolarHBondContact O-N 3.23Å
168A98.8Very high97.7Very high0 Ų049.9 Ų49.90%025%0.25CC..Hα-helixtrans-72.2-41.2177.500000111.8L126 V152 M156 T164 Q165 E166 L171 L172L126-A168 HydrophobicContact CD1-CB 3.83Å; L126-A168 HydrophobicContact CD2-CB 4.18Å; V152-A168 HydrophobicContact CG1-CB 3.92Å; V152-A168 VanDerWaalsContact CG1-O 3.27Å; V152-A168 WeakPolarHBondContact CG1-O 3.23Å; M156-A168 HydrophobicContact CB-CB 3.73Å; M156-A168 HydrophobicContact CG-CB 4.24Å; T164-A168 WeakPolarHBondContact O-CB 3.38Å; T164-A168 PolarHBondContact O-N 3.09Å; Q165-A168 PolarHBondContact O-N 3.46Å; E166-A168 PolarHBondContact O-N 2.85Å; A168-L171 PolarHBondContact O-N 3.43Å; A168-L172 WeakPolarHBondContact O-CG 3.44Å; A168-L172 PolarHBondContact O-N 3.49Å
169R98.7Very high97.7Very high48 Ų4843.5 Ų43.518%0.18122%0.222CC..Hα-helixtrans-56.4-51.8171.6-179.7-151.852.7-155.7-8.7110.6M156 Q165 E166 L171 L172 E173 L204 S208M156-R169 HydrophobicContact CE-CB 3.93Å; M156-R169 HydrophobicContact CE-CG 4.38Å; M156-R169 HydrophobicContact SD-CB 4.32Å; Q165-R169 PolarHBondContact O-N 2.89Å; E166-R169 WeakPolarHBondContact O-CB 3.43Å; E166-R169 PolarHBondContact O-N 3.38Å; R169-L171 VanDerWaalsContact C-N 3.29Å; R169-L171 PolarHBondContact O-N 2.8Å; R169-L172 WeakPolarHBondContact O-CB 3.29Å; R169-L172 PolarHBondContact O-N 3.23Å; R169-E173 PolarHBondContact O-N 3.09Å; R169-L204 HydrophobicContact CB-CB 4.49Å; R169-L204 HydrophobicContact CG-CB 4.41Å; R169-S208 WeakPolarHBondContact CG-OG 3.18Å
170D98.5Very high97.5Very high66 Ų6648.2 Ų48.235%0.35325%0.253SS..Hα-helixtrans-59-43-176.9-64.4-10.6000111.2E166 L172 E173 I174E166-D170 PolarHBondContact O-N 2.71Å; D170-L172 PolarHBondContact O-N 3.06Å; D170-E173 PolarHBondContact O-N 3.25Å; D170-I174 VanDerWaalsContact O-CG1 3.25Å; D170-I174 WeakPolarHBondContact O-CG1 3.3Å; D170-I174 PolarHBondContact O-N 2.83Å
171L98.8Very high97.6Very high0 Ų045.9 Ų45.90%024%0.238CC..Hα-helixtrans-63.5-40.7175.3178.955.9000112.4L126 L129 A133 V152 S167 A168 R169 I174 L175L126-L171 HydrophobicContact CD2-CD2 3.88Å; L129-L171 HydrophobicContact CB-CD1 4.36Å; L129-L171 HydrophobicContact CB-CD2 3.55Å; L129-L171 HydrophobicContact CD1-CD2 4.07Å; L129-L171 HydrophobicContact CG-CD2 4.47Å; A133-L171 HydrophobicContact CB-CD1 3.95Å; V152-L171 HydrophobicContact CG1-CB 4.26Å; V152-L171 HydrophobicContact CG1-CD2 4.12Å; V152-L171 HydrophobicContact CG1-CG 4.29Å; V152-L171 HydrophobicContact CG2-CD2 3.53Å; V152-L171 HydrophobicContact CG2-CG 4.23Å; S167-L171 PolarHBondContact O-N 3.23Å; A168-L171 PolarHBondContact O-N 3.43Å; R169-L171 VanDerWaalsContact C-N 3.29Å; R169-L171 PolarHBondContact O-N 2.8Å; L171-I174 PolarHBondContact O-N 2.81Å; L171-L175 HydrophobicContact CD1-CD1 4.36Å; L171-L175 HydrophobicContact CD1-CG 4.14Å; L171-L175 HydrophobicContact CG-CD1 4.25Å; L171-L175 HydrophobicContact CG-CG 4.48Å; L171-L175 WeakPolarHBondContact O-CB 3.17Å; L171-L175 VanDerWaalsContact O-CG 3.24Å; L171-L175 WeakPolarHBondContact O-CG 2.94Å; L171-L175 PolarHBondContact O-N 2.94Å
172L98.8Very high97.6Very high0 Ų045.8 Ų45.80%024%0.236CC..Hα-helixtrans-62.2-43.9175.3-71.5167.6000111.2I149 V152 A153 M156 A168 R169 D170 I174 L175 A176 V186 L190I149-L172 HydrophobicContact CG2-CD2 4.12Å; V152-L172 HydrophobicContact CB-CD2 4.13Å; V152-L172 HydrophobicContact CB-CG 4.34Å; V152-L172 HydrophobicContact CG1-CD1 4.22Å; V152-L172 HydrophobicContact CG1-CD2 4.04Å; V152-L172 HydrophobicContact CG1-CG 3.7Å; A153-L172 HydrophobicContact CB-CD1 4.39Å; M156-L172 HydrophobicContact SD-CD1 4.06Å; A168-L172 WeakPolarHBondContact O-CG 3.44Å; A168-L172 PolarHBondContact O-N 3.49Å; R169-L172 WeakPolarHBondContact O-CB 3.29Å; R169-L172 PolarHBondContact O-N 3.23Å; D170-L172 PolarHBondContact O-N 3.06Å; L172-I174 PolarHBondContact O-N 3.08Å; L172-L175 PolarHBondContact O-N 3.48Å; L172-A176 PolarHBondContact O-N 2.94Å; L172-V186 HydrophobicContact CB-CG1 4.13Å; L172-V186 HydrophobicContact CD2-CG1 4.27Å; L172-V186 WeakPolarHBondContact O-CG1 3.41Å; L172-L190 HydrophobicContact CB-CD2 4.33Å; L172-L190 HydrophobicContact CD1-CD2 3.63Å; L172-L190 HydrophobicContact CD1-CG 4.24Å
173E98.2Very high97.5Very high55 Ų5542.7 Ų42.726%0.25723%0.226SC..Hα-helixtrans-61.8-44.3176.3-69.1-168.8173.700111.9R169 D170 L175 A176 E177 S208R169-E173 PolarHBondContact O-N 3.09Å; D170-E173 PolarHBondContact O-N 3.25Å; E173-L175 VanDerWaalsContact C-N 3.29Å; E173-L175 PolarHBondContact O-N 3.29Å; E173-A176 PolarHBondContact O-N 2.78Å; E173-A176 VanDerWaalsContact O-N 3.11Å; E173-E177 PolarHBondContact O-N 3.47Å; E173-S208 PolarHBondContact OE1-OG 3.34Å
174I98.2Very high97.4Very high31 Ų3140 Ų4016%0.15922%0.215CC..Hα-helixtrans-58.4-42.2174.3-67.8164.2000110.7A133 N134 K140 D170 L171 L172 A176 E177A133-I174 HydrophobicContact CB-CG2 3.61Å; N134-I174 WeakPolarHBondContact OD1-CG2 3.46Å; K140-I174 WeakPolarHBondContact CD-O 3.3Å; K140-I174 WeakPolarHBondContact CE-O 3.44Å; K140-I174 PolarHBondContact NZ-O 2.93Å; D170-I174 VanDerWaalsContact O-CG1 3.25Å; D170-I174 WeakPolarHBondContact O-CG1 3.3Å; D170-I174 PolarHBondContact O-N 2.83Å; L171-I174 PolarHBondContact O-N 2.81Å; L172-I174 PolarHBondContact O-N 3.08Å; I174-A176 VanDerWaalsContact C-N 3.28Å; I174-A176 PolarHBondContact O-N 3.22Å; I174-E177 PolarHBondContact O-N 3.27Å
175L98.6Very high97.3Very high0 Ų044.1 Ų44.10%023%0.234CC..Hα-helixtrans-67.6-26.4179.3-72174.7000113.2A133 K140 I143 I149 L171 L172 E173 N179 V186A133-L175 HydrophobicContact CB-CD2 4.1Å; K140-L175 HydrophobicContact CB-CD2 4.12Å; K140-L175 HydrophobicContact CG-CD2 4.46Å; I143-L175 HydrophobicContact CB-CD2 4.08Å; I143-L175 HydrophobicContact CD1-CD2 4.27Å; I143-L175 HydrophobicContact CG2-CD1 4.09Å; I143-L175 HydrophobicContact CG2-CD2 3.99Å; I149-L175 HydrophobicContact CG1-CD1 4.41Å; L171-L175 HydrophobicContact CD1-CD1 4.36Å; L171-L175 HydrophobicContact CD1-CG 4.14Å; L171-L175 HydrophobicContact CG-CD1 4.25Å; L171-L175 HydrophobicContact CG-CG 4.48Å; L171-L175 WeakPolarHBondContact O-CB 3.17Å; L171-L175 VanDerWaalsContact O-CG 3.24Å; L171-L175 WeakPolarHBondContact O-CG 2.94Å; L171-L175 PolarHBondContact O-N 2.94Å; L172-L175 PolarHBondContact O-N 3.48Å; E173-L175 VanDerWaalsContact C-N 3.29Å; E173-L175 PolarHBondContact O-N 3.29Å; L175-N179 VanDerWaalsContact O-CB 3.22Å; L175-N179 WeakPolarHBondContact O-CB 3.38Å; L175-N179 PolarHBondContact O-ND2 3.11Å; L175-V186 HydrophobicContact CB-CG2 4.03Å
176A97.4Very high97.3Very high9 Ų943.9 Ų43.97%0.07423%0.233CC..Hα-helixtrans-82.4-36.5174.900000112.8L172 E173 I174 N179 V186 L212L172-A176 PolarHBondContact O-N 2.94Å; E173-A176 PolarHBondContact O-N 2.78Å; E173-A176 VanDerWaalsContact O-N 3.11Å; I174-A176 VanDerWaalsContact C-N 3.28Å; I174-A176 PolarHBondContact O-N 3.22Å; A176-N179 PolarHBondContact O-N 3.17Å; A176-V186 HydrophobicContact CB-CB 4.09Å; A176-V186 HydrophobicContact CB-CG1 3.91Å; A176-V186 HydrophobicContact CB-CG2 4.33Å; A176-L212 HydrophobicContact CB-CD1 4.09Å; A176-L212 HydrophobicContact CB-CD2 3.73Å
177E95.7Very high97.2Very high123 Ų12341 Ų4158%0.57522%0.219SC*.THydrogen-bonded Turntrans-70.9130.3-175.5-173.5171.7-152.200112.4K140 E173 I174 N179K140-E177 PolarHBondContact NZ-O 3.07Å; E173-E177 PolarHBondContact O-N 3.47Å; I174-E177 PolarHBondContact O-N 3.27Å; E177-N179 PolarHBondContact O-N 3.4Å; E177-N179 VanDerWaalsContact O-N 3.15Å
178G93.5Very high97.2Very high55 Ų5545.2 Ų45.257%0.56724%0.236SC*.THydrogen-bonded Turntrans62.819.6-179.600000114.2T137T137-G178 PolarHBondContact OG1-O 2.65Å
179N96.3Very high97.1Very high1 Ų146 Ų461%0.00524%0.243CC..  trans-13470.7-177.4-172.95.1000111.3K140 L175 A176 E177 R181 F182 S183K140-N179 HydrophobicContact CD-CB 4.28Å; L175-N179 VanDerWaalsContact O-CB 3.22Å; L175-N179 WeakPolarHBondContact O-CB 3.38Å; L175-N179 PolarHBondContact O-ND2 3.11Å; A176-N179 PolarHBondContact O-N 3.17Å; E177-N179 PolarHBondContact O-N 3.4Å; E177-N179 VanDerWaalsContact O-N 3.15Å; N179-R181 PolarHBondContact O-N 2.87Å; N179-F182 PolarHBondContact O-N 2.86Å; N179-S183 PolarHBondContact O-N 3.28Å
180P94.5Very high97.1Very high106 Ų10643.7 Ų43.769%0.68823%0.234SC*.Hα-helixtrans-59.4-34.4-174.623.7-32.9000112.4F182 S183P180-F182 VanDerWaalsContact C-N 3.29Å; P180-F182 PolarHBondContact O-N 3.16Å; P180-S183 PolarHBondContact O-N 3.14Å; P180-S183 PolarHBondContact O-OG 3.5Å
181R96.4Very high97.1Very high146 Ų14641 Ų4155%0.55122%0.22SC*.Hα-helixtrans-57.5-37.4-178.4-174.6176.2171.5-150.8-8.4113.3E141 E145 N179E141-R181 IonicContact OE2-CZ 2.89Å; E141-R181 IonicContact OE2-NH1 3.36Å; E141-R181 PolarHBondContact OE2-NH1 3.44Å; E145-R181 IonicContact OE1-CZ 3.32Å; E145-R181 IonicContact OE1-NH1 3.56Å; E145-R181 PolarHBondContact OE1-NH1 2.84Å; E145-R181 IonicContact OE1-NH2 2.8Å; E145-R181 PolarHBondContact OE1-NH2 2.94Å; N179-R181 PolarHBondContact O-N 2.87Å
182F97.4Very high97Very high18 Ų1843.6 Ų43.68%0.07925%0.246CC..Hα-helixtrans-113.4-3.1-176.9-68.3-81.4000114.4E141 C144 E145 I149 N179 P180 D184 Q185 V186E141-F182 HydrophobicContact CB-CD2 4.34Å; E141-F182 HydrophobicContact CB-CE2 3.85Å; E141-F182 HydrophobicContact CG-CD2 3.88Å; E141-F182 HydrophobicContact CG-CE2 3.74Å; C144-F182 HydrophobicContact CB-CB 4.08Å; C144-F182 HydrophobicContact CB-CD1 3.44Å; C144-F182 VanDerWaalsContact CB-CD1 3.44Å; C144-F182 HydrophobicContact CB-CD2 3.76Å; C144-F182 HydrophobicContact CB-CE1 3.68Å; C144-F182 HydrophobicContact CB-CE2 3.99Å; C144-F182 HydrophobicContact CB-CG 3.47Å; C144-F182 VanDerWaalsContact CB-CG 3.47Å; C144-F182 HydrophobicContact CB-CZ 3.94Å; E145-F182 HydrophobicContact CG-CE2 4.36Å; E145-F182 HydrophobicContact CG-CZ 3.67Å; I149-F182 HydrophobicContact CD1-CB 4.24Å; I149-F182 HydrophobicContact CD1-CD1 4.43Å; N179-F182 PolarHBondContact O-N 2.86Å; P180-F182 VanDerWaalsContact C-N 3.29Å; P180-F182 PolarHBondContact O-N 3.16Å; F182-D184 VanDerWaalsContact C-N 3.31Å; F182-D184 PolarHBondContact O-N 3.11Å; F182-Q185 WeakPolarHBondContact O-CA 3.41Å; F182-Q185 WeakPolarHBondContact O-CB 3.4Å; F182-Q185 PolarHBondContact O-N 3.38Å; F182-V186 PolarHBondContact O-N 2.77Å
183S95.3Very high97Very high41 Ų4143.6 Ų43.629%0.28725%0.247SC..Hα-helixtrans-51.2-43.5-179.462.30000114.1N179 P180 Q185 V186 Y187N179-S183 PolarHBondContact O-N 3.28Å; P180-S183 PolarHBondContact O-N 3.14Å; P180-S183 PolarHBondContact O-OG 3.5Å; S183-Q185 VanDerWaalsContact C-N 3.34Å; S183-Q185 PolarHBondContact O-N 3.12Å; S183-V186 PolarHBondContact O-N 3.17Å; S183-Y187 WeakPolarHBondContact O-CB 3.4Å; S183-Y187 PolarHBondContact O-N 3.05Å
184D95.4Very high97Very high55 Ų5541 Ų4129%0.29423%0.234SC..Hα-helixtrans-65.8-36.4175.7176.871.2000112.4F182 Y187 K188 R216F182-D184 VanDerWaalsContact C-N 3.31Å; F182-D184 PolarHBondContact O-N 3.11Å; D184-Y187 PolarHBondContact O-N 2.95Å; D184-K188 WeakPolarHBondContact O-CB 3.46Å; D184-K188 WeakPolarHBondContact O-CG 3.31Å; D184-K188 PolarHBondContact O-N 3.34Å; D184-K188 IonicContact OD1-NZ 3.82Å; D184-K188 WeakPolarHBondContact OD2-CD 3.15Å; D184-K188 WeakPolarHBondContact OD2-CE 3.42Å; D184-K188 IonicContact OD2-NZ 3.27Å; D184-K188 PolarHBondContact OD2-NZ 3.18Å; D184-R216 IonicContact OD1-CZ 3.69Å; D184-R216 IonicContact OD1-NH1 3.42Å; D184-R216 IonicContact OD1-NH2 2.78Å; D184-R216 PolarHBondContact OD1-NH2 2.91Å
185Q97Very high96.9Very high87 Ų8742.2 Ų42.241%0.40724%0.244SC..Hα-helixtrans-70.9-38.4178.6-169.1172.2-1.200111.4I149 F182 S183 K188 G189I149-Q185 HydrophobicContact CD1-CB 3.84Å; I149-Q185 HydrophobicContact CD1-CG 3.73Å; F182-Q185 WeakPolarHBondContact O-CA 3.41Å; F182-Q185 WeakPolarHBondContact O-CB 3.4Å; F182-Q185 PolarHBondContact O-N 3.38Å; S183-Q185 VanDerWaalsContact C-N 3.34Å; S183-Q185 PolarHBondContact O-N 3.12Å; Q185-K188 PolarHBondContact O-N 2.91Å; Q185-G189 PolarHBondContact O-N 2.94Å
186V98.1Very high96.8Very high0 Ų043 Ų430%025%0.249CC..Hα-helixtrans-62.2-47.3172.3177.70000110.3I149 L172 L175 A176 F182 S183 K188 G189 L190 L212I149-V186 HydrophobicContact CD1-CG2 3.62Å; I149-V186 HydrophobicContact CG1-CG2 3.92Å; I149-V186 HydrophobicContact CG2-CG2 4.45Å; L172-V186 HydrophobicContact CB-CG1 4.13Å; L172-V186 HydrophobicContact CD2-CG1 4.27Å; L172-V186 WeakPolarHBondContact O-CG1 3.41Å; L175-V186 HydrophobicContact CB-CG2 4.03Å; A176-V186 HydrophobicContact CB-CB 4.09Å; A176-V186 HydrophobicContact CB-CG1 3.91Å; A176-V186 HydrophobicContact CB-CG2 4.33Å; F182-V186 PolarHBondContact O-N 2.77Å; S183-V186 PolarHBondContact O-N 3.17Å; V186-K188 VanDerWaalsContact C-N 3.34Å; V186-K188 PolarHBondContact O-N 2.93Å; V186-G189 CarbonylContact O-C 3.59Å; V186-G189 WeakPolarHBondContact O-CA 3.42Å; V186-G189 PolarHBondContact O-N 3.31Å; V186-L190 HydrophobicContact CG1-CD1 4.27Å; V186-L190 PolarHBondContact O-N 3.49Å; V186-L212 HydrophobicContact CG1-CD1 4.41Å
187Y97.7Very high96.6Very high1 Ų149.9 Ų49.90%0.00429%0.285CS..Hα-helixtrans-56.8-46177.3-179.2-97.8000112.2S183 D184 G189 L190 I191 I209 L212 Q213 N220 L223S183-Y187 WeakPolarHBondContact O-CB 3.4Å; S183-Y187 PolarHBondContact O-N 3.05Å; D184-Y187 PolarHBondContact O-N 2.95Å; Y187-G189 VanDerWaalsContact C-N 3.34Å; Y187-G189 PolarHBondContact O-N 3.05Å; Y187-L190 PolarHBondContact O-N 2.67Å; Y187-I191 HydrophobicContact CD1-CD1 3.93Å; Y187-I191 HydrophobicContact CE1-CD1 3.43Å; Y187-I191 VanDerWaalsContact CE1-CD1 3.43Å; Y187-I191 HydrophobicContact CE1-CG1 4.45Å; Y187-I191 WeakPolarHBondContact O-CG1 3.15Å; Y187-I191 PolarHBondContact O-N 3.47Å; Y187-I191 VanDerWaalsContact O-N 3.11Å; Y187-I209 HydrophobicContact CE2-CB 4.45Å; Y187-I209 HydrophobicContact CE2-CG2 3.73Å; Y187-L212 HydrophobicContact CD2-CB 3.86Å; Y187-L212 HydrophobicContact CD2-CD1 4.43Å; Y187-L212 HydrophobicContact CE2-CB 4.44Å; Y187-Q213 HydrophobicContact CE2-CB 4.13Å; Y187-Q213 PolarHBondContact OH-OE1 3.12Å; Y187-N220 HydrophobicContact CE1-CB 3.76Å; Y187-L223 WeakPolarHBondContact OH-CD1 3.27Å
188K97.1Very high96.7Very high108 Ų10845.1 Ų45.147%0.4727%0.265SS..Hα-helixtrans-64.8-36172.8-73.9170177.3164.60112.8D184 Q185 V186 I191 G192D184-K188 WeakPolarHBondContact O-CB 3.46Å; D184-K188 WeakPolarHBondContact O-CG 3.31Å; D184-K188 PolarHBondContact O-N 3.34Å; D184-K188 IonicContact OD1-NZ 3.82Å; D184-K188 WeakPolarHBondContact OD2-CD 3.15Å; D184-K188 WeakPolarHBondContact OD2-CE 3.42Å; D184-K188 IonicContact OD2-NZ 3.27Å; D184-K188 PolarHBondContact OD2-NZ 3.18Å; Q185-K188 PolarHBondContact O-N 2.91Å; V186-K188 VanDerWaalsContact C-N 3.34Å; V186-K188 PolarHBondContact O-N 2.93Å; K188-I191 PolarHBondContact O-N 3.04Å; K188-G192 PolarHBondContact O-N 3.05Å
189G98.1Very high96.9Very high15 Ų1543.9 Ų43.916%0.15525%0.247CC..Hα-helixtrans-59.4-46.5174.300000112Q185 V186 Y187 G192 V193Q185-G189 PolarHBondContact O-N 2.94Å; V186-G189 CarbonylContact O-C 3.59Å; V186-G189 WeakPolarHBondContact O-CA 3.42Å; V186-G189 PolarHBondContact O-N 3.31Å; Y187-G189 VanDerWaalsContact C-N 3.34Å; Y187-G189 PolarHBondContact O-N 3.05Å; G189-G192 WeakPolarHBondContact O-CA 3.42Å; G189-G192 PolarHBondContact O-N 3.45Å; G189-G192 VanDerWaalsContact O-N 3.07Å; G189-V193 PolarHBondContact O-N 3.28Å
190L98.5Very high97Very high0 Ų045.8 Ų45.80%026%0.256CS..Hα-helixtrans-63.3-41.7175.4-71.8162.1000112.2M156 L172 V186 Y187 G192 V193 A205 I209 L212M156-L190 HydrophobicContact SD-CD2 4.44Å; L172-L190 HydrophobicContact CB-CD2 4.33Å; L172-L190 HydrophobicContact CD1-CD2 3.63Å; L172-L190 HydrophobicContact CD1-CG 4.24Å; V186-L190 HydrophobicContact CG1-CD1 4.27Å; V186-L190 PolarHBondContact O-N 3.49Å; Y187-L190 PolarHBondContact O-N 2.67Å; L190-G192 PolarHBondContact O-N 3.07Å; L190-V193 WeakPolarHBondContact O-CB 3.15Å; L190-V193 PolarHBondContact O-N 3.21Å; L190-A205 HydrophobicContact CD2-CB 4.49Å; L190-I209 HydrophobicContact CB-CD1 4.07Å; L190-I209 HydrophobicContact CB-CG1 3.63Å; L190-I209 HydrophobicContact CD1-CG1 4.48Å; L190-L212 HydrophobicContact CD1-CD1 3.56Å
191I98Very high97.2Very high11 Ų1140.8 Ų40.86%0.05622%0.223CC..Hα-helixtrans-58.7-35.8172.4-68.3172000111Y187 K188 V193 L194 I209 N220 L223 R226Y187-I191 HydrophobicContact CD1-CD1 3.93Å; Y187-I191 HydrophobicContact CE1-CD1 3.43Å; Y187-I191 VanDerWaalsContact CE1-CD1 3.43Å; Y187-I191 HydrophobicContact CE1-CG1 4.45Å; Y187-I191 WeakPolarHBondContact O-CG1 3.15Å; Y187-I191 PolarHBondContact O-N 3.47Å; Y187-I191 VanDerWaalsContact O-N 3.11Å; K188-I191 PolarHBondContact O-N 3.04Å; I191-V193 PolarHBondContact O-N 3.33Å; I191-L194 WeakPolarHBondContact O-CB 3.42Å; I191-L194 PolarHBondContact O-N 2.89Å; I191-I209 HydrophobicContact CG1-CD1 3.92Å; I191-I209 HydrophobicContact CG1-CG1 4.4Å; I191-N220 HydrophobicContact CD1-CB 3.8Å; I191-N220 WeakPolarHBondContact CD1-ND2 3.44Å; I191-L223 HydrophobicContact CD1-CD2 3.96Å; I191-L223 HydrophobicContact CD1-CG 4.07Å; I191-L223 HydrophobicContact CG1-CD2 3.85Å; I191-R226 HydrophobicContact CG2-CG 4.45Å
192G97.5Very high97.3Very high53 Ų5334.4 Ų34.455%0.54620%0.199SC..THydrogen-bonded Turntrans-66.1-16.1175.100000115K188 G189 L190 P195K188-G192 PolarHBondContact O-N 3.05Å; G189-G192 WeakPolarHBondContact O-CA 3.42Å; G189-G192 PolarHBondContact O-N 3.45Å; G189-G192 VanDerWaalsContact O-N 3.07Å; L190-G192 PolarHBondContact O-N 3.07Å; G192-P195 WeakPolarHBondContact O-CD 3.45Å
193V98.3Very high97.3Very high1 Ų135.5 Ų35.51%0.00621%0.205CC..THydrogen-bonded Turntrans-80.3-29.8175.1178.80000111.8A153 M156 A157 G189 L190 I191 P195 C196 A201 A205A153-V193 HydrophobicContact CB-CG2 3.86Å; M156-V193 HydrophobicContact CG-CG1 4.3Å; M156-V193 HydrophobicContact SD-CG1 4.32Å; M156-V193 HydrophobicContact SD-CG2 4.32Å; A157-V193 HydrophobicContact CB-CG1 4.19Å; G189-V193 PolarHBondContact O-N 3.28Å; L190-V193 WeakPolarHBondContact O-CB 3.15Å; L190-V193 PolarHBondContact O-N 3.21Å; I191-V193 PolarHBondContact O-N 3.33Å; V193-P195 VanDerWaalsContact C-CD 3.42Å; V193-C196 VanDerWaalsContact O-CB 3.27Å; V193-C196 WeakPolarHBondContact O-CB 3.34Å; V193-C196 PolarHBondContact O-N 3.48Å; V193-C196 PolarHBondContact O-SG 3.26Å; V193-A201 HydrophobicContact CG1-CB 4.28Å; V193-A205 HydrophobicContact CB-CB 3.97Å; V193-A205 HydrophobicContact CG1-CB 3.95Å
194L98.2Very high97.5Very high0 Ų033.7 Ų33.70%019%0.192CC..THydrogen-bonded Turntrans-52.5-38.6-174.8-62.6-176.4000115.8I191 C196 Q202 A205 L206 I209 L223 R226 L230I191-L194 WeakPolarHBondContact O-CB 3.42Å; I191-L194 PolarHBondContact O-N 2.89Å; L194-C196 PolarHBondContact O-N 2.91Å; L194-C196 VanDerWaalsContact O-N 3.12Å; L194-Q202 PolarHBondContact O-NE2 3.07Å; L194-A205 HydrophobicContact CD2-CB 3.91Å; L194-L206 HydrophobicContact CD1-CD2 4.37Å; L194-L206 HydrophobicContact CD2-CD2 3.83Å; L194-L206 HydrophobicContact CD2-CG 3.75Å; L194-I209 HydrophobicContact CD1-CD1 3.85Å; L194-I209 HydrophobicContact CD2-CD1 4.05Å; L194-I209 HydrophobicContact CG-CD1 4.06Å; L194-L223 HydrophobicContact CD1-CD2 4.27Å; L194-R226 HydrophobicContact CB-CG 4.41Å; L194-R226 HydrophobicContact CD1-CB 3.69Å; L194-R226 HydrophobicContact CD1-CG 3.93Å; L194-L230 HydrophobicContact CB-CD1 4.13Å; L194-L230 HydrophobicContact CD1-CD1 4.25Å; L194-L230 HydrophobicContact CD2-CD1 3.95Å; L194-L230 HydrophobicContact CG-CD1 4.32Å
195P96Very high97.7Very high57 Ų5731.1 Ų31.137%0.3718%0.178SC..THydrogen-bonded Turntrans-77.518.1176.531.7-36.1000115G192 V193G192-P195 WeakPolarHBondContact O-CD 3.45Å; V193-P195 VanDerWaalsContact C-CD 3.42Å
196C96.3Very high97.7Very high15 Ų1527 Ų2710%0.10116%0.159CC..SBendtrans-81.9169.3174.175.40000112.2A157 V193 L194 Q202A157-C196 HydrophobicContact CB-CB 3.91Å; V193-C196 VanDerWaalsContact O-CB 3.27Å; V193-C196 WeakPolarHBondContact O-CB 3.34Å; V193-C196 PolarHBondContact O-N 3.48Å; V193-C196 PolarHBondContact O-SG 3.26Å; L194-C196 PolarHBondContact O-N 2.91Å; L194-C196 VanDerWaalsContact O-N 3.12Å; C196-Q202 PolarHBondContact O-NE2 3.25Å
197N94.4Very high97.7Very high155 Ų15530.1 Ų30.183%0.82917%0.173SC*.SBendtrans-95.13.7-178.4-61.3-16.4000113.6P199N197-P199 WeakPolarHBondContact O-CD 3.37Å
198S97.1Very high97.8Very high22 Ų2230 Ų3015%0.15417%0.173CC..  trans-96.2112.3-178.1169.50000109.7Q165 K200 A201 Q202Q165-S198 PolarHBondContact NE2-OG 2.96Å; Q165-S198 PolarHBondContact OE1-OG 3.37Å; S198-K200 VanDerWaalsContact C-N 3.27Å; S198-K200 PolarHBondContact O-N 2.98Å; S198-A201 PolarHBondContact O-N 3.3Å; S198-A201 VanDerWaalsContact O-N 3.14Å; S198-A201 WeakPolarHBondContact OG-CB 3.27Å; S198-A201 PolarHBondContact OG-N 3.35Å; S198-A201 VanDerWaalsContact OG-N 3.16Å; S198-Q202 WeakPolarHBondContact O-CG 3.46Å; S198-Q202 PolarHBondContact O-N 2.98Å
199P97.5Very high97.8Very high30 Ų3024.9 Ų24.920%0.19515%0.151CC..Hα-helixtrans-59.4-41.1179.5-23.133.8000111.8N197 A201 Q202 Q203 H235 V238N197-P199 WeakPolarHBondContact O-CD 3.37Å; P199-A201 PolarHBondContact O-N 2.98Å; P199-Q202 PolarHBondContact O-N 3.28Å; P199-Q203 WeakPolarHBondContact O-CB 3.4Å; P199-Q203 PolarHBondContact O-N 3.2Å; P199-H235 HydrophobicContact CB-CB 3.9Å; P199-H235 VanDerWaalsContact CB-CG 3.5Å; P199-H235 HydrophobicContact CG-CB 4.43Å; P199-H235 WeakPolarHBondContact CG-CD2 3.25Å; P199-H235 VanDerWaalsContact CG-CE1 3.44Å; P199-H235 WeakPolarHBondContact CG-CE1 3.45Å; P199-H235 WeakPolarHBondContact CG-NE2 3.5Å; P199-V238 HydrophobicContact CB-CG2 3.86Å; P199-V238 WeakPolarHBondContact O-CG2 3.35Å
200K98.1Very high97.8Very high41 Ų4128.2 Ų28.218%0.17816%0.159CC..Hα-helixtrans-61.4-45.1175.6-178.471.9178.3-150.10111.9E162 Q165 E166 S198 Q203 L204E162-K200 HydrophobicContact CB-CG 4.11Å; E162-K200 HydrophobicContact CG-CB 4.32Å; E162-K200 HydrophobicContact CG-CD 4.39Å; E162-K200 HydrophobicContact CG-CG 3.84Å; E162-K200 WeakPolarHBondContact OE2-CD 3.35Å; E162-K200 WeakPolarHBondContact OE2-CE 3.44Å; E162-K200 IonicContact OE2-NZ 3.11Å; E162-K200 PolarHBondContact OE2-NZ 3.07Å; Q165-K200 VanDerWaalsContact OE1-CG 3.24Å; E166-K200 VanDerWaalsContact OE1-CE 3.27Å; E166-K200 WeakPolarHBondContact OE1-CE 3.2Å; E166-K200 IonicContact OE1-NZ 3.77Å; E166-K200 PolarHBondContact OE1-NZ 3.28Å; S198-K200 VanDerWaalsContact C-N 3.27Å; S198-K200 PolarHBondContact O-N 2.98Å; K200-Q203 PolarHBondContact O-N 2.55Å; K200-L204 HydrophobicContact CD-CD1 4.37Å; K200-L204 HydrophobicContact CD-CG 4.39Å; K200-L204 HydrophobicContact CG-CD1 4Å; K200-L204 HydrophobicContact CG-CG 4.41Å; K200-L204 WeakPolarHBondContact O-CB 3.2Å; K200-L204 WeakPolarHBondContact O-CG 3.47Å; K200-L204 PolarHBondContact O-N 3.33Å
201A98.5Very high97.7Very high0 Ų031.9 Ų31.90%018%0.177CC..Hα-helixtrans-65.9-40.4178.400000111.7M156 Q165 V193 S198 P199 A205M156-A201 WeakPolarHBondContact CE-O 3.26Å; M156-A201 HydrophobicContact CG-CB 4.46Å; M156-A201 WeakPolarHBondContact O-CB 3.44Å; Q165-A201 HydrophobicContact CG-CB 4.48Å; V193-A201 HydrophobicContact CG1-CB 4.28Å; S198-A201 PolarHBondContact O-N 3.3Å; S198-A201 VanDerWaalsContact O-N 3.14Å; S198-A201 WeakPolarHBondContact OG-CB 3.27Å; S198-A201 PolarHBondContact OG-N 3.35Å; S198-A201 VanDerWaalsContact OG-N 3.16Å; P199-A201 PolarHBondContact O-N 2.98Å; A201-A205 VanDerWaalsContact O-CB 3.27Å; A201-A205 WeakPolarHBondContact O-CB 3.43Å; A201-A205 PolarHBondContact O-N 3.34Å
202Q98.5Very high97.6Very high12 Ų1232.5 Ų32.56%0.05618%0.181CC..Hα-helixtrans-59.4-49.1173-69.2173.6-19.400111.2L194 C196 S198 P199 L204 A205 L206 L230 V238L194-Q202 PolarHBondContact O-NE2 3.07Å; C196-Q202 PolarHBondContact O-NE2 3.25Å; S198-Q202 WeakPolarHBondContact O-CG 3.46Å; S198-Q202 PolarHBondContact O-N 2.98Å; P199-Q202 PolarHBondContact O-N 3.28Å; Q202-L204 PolarHBondContact O-N 2.93Å; Q202-A205 PolarHBondContact O-N 3.4Å; Q202-L206 WeakPolarHBondContact O-CB 3.45Å; Q202-L206 VanDerWaalsContact O-CG 3.26Å; Q202-L206 WeakPolarHBondContact O-CG 3.49Å; Q202-L206 PolarHBondContact O-N 2.88Å; Q202-L230 HydrophobicContact CB-CD2 4.44Å; Q202-L230 VanDerWaalsContact CD-CD2 3.46Å; Q202-L230 HydrophobicContact CG-CD2 4.05Å; Q202-V238 HydrophobicContact CB-CG1 4.24Å; Q202-V238 HydrophobicContact CB-CG2 4.19Å
203Q98.6Very high97.6Very high42 Ų4230 Ų3020%0.19616%0.155CC..Hα-helixtrans-56.7-51.3178.1-175.9-165.214.200111.5P199 K200 A205 L206 Q207 E237 A241P199-Q203 WeakPolarHBondContact O-CB 3.4Å; P199-Q203 PolarHBondContact O-N 3.2Å; K200-Q203 PolarHBondContact O-N 2.55Å; Q203-A205 VanDerWaalsContact C-N 3.34Å; Q203-A205 PolarHBondContact O-N 3.03Å; Q203-L206 PolarHBondContact O-N 3.47Å; Q203-Q207 WeakPolarHBondContact O-CG 3.38Å; Q203-Q207 PolarHBondContact O-N 3.46Å; Q203-E237 HydrophobicContact CG-CB 4.48Å; Q203-A241 HydrophobicContact CG-CB 4.3Å
204L98.7Very high97.3Very high3 Ų333.2 Ų33.22%0.01618%0.181CC..Hα-helixtrans-61.9-41.6179.7-68.7171.2000111.7M156 Q165 E166 R169 K200 Q202 Q207 S208M156-L204 HydrophobicContact CE-CB 3.26Å; M156-L204 HydrophobicContact CE-CD1 4.24Å; M156-L204 HydrophobicContact CE-CG 4.41Å; Q165-L204 HydrophobicContact CB-CD1 3.83Å; E166-L204 HydrophobicContact CG-CD1 3.92Å; E166-L204 HydrophobicContact CG-CD2 4.11Å; R169-L204 HydrophobicContact CB-CB 4.49Å; R169-L204 HydrophobicContact CG-CB 4.41Å; K200-L204 HydrophobicContact CD-CD1 4.37Å; K200-L204 HydrophobicContact CD-CG 4.39Å; K200-L204 HydrophobicContact CG-CD1 4Å; K200-L204 HydrophobicContact CG-CG 4.41Å; K200-L204 WeakPolarHBondContact O-CB 3.2Å; K200-L204 WeakPolarHBondContact O-CG 3.47Å; K200-L204 PolarHBondContact O-N 3.33Å; Q202-L204 PolarHBondContact O-N 2.93Å; L204-Q207 PolarHBondContact O-N 3.02Å; L204-S208 PolarHBondContact O-N 2.7Å; L204-S208 VanDerWaalsContact O-N 3.09Å; L204-S208 PolarHBondContact O-OG 2.96Å
205A98.8Very high97Very high0 Ų040.1 Ų40.10%021%0.212CC..Hα-helixtrans-64.8-46.5177.600000111.3M156 L190 V193 L194 A201 Q202 Q203 Q207 S208 I209M156-A205 HydrophobicContact CE-CB 4.09Å; L190-A205 HydrophobicContact CD2-CB 4.49Å; V193-A205 HydrophobicContact CB-CB 3.97Å; V193-A205 HydrophobicContact CG1-CB 3.95Å; L194-A205 HydrophobicContact CD2-CB 3.91Å; A201-A205 VanDerWaalsContact O-CB 3.27Å; A201-A205 WeakPolarHBondContact O-CB 3.43Å; A201-A205 PolarHBondContact O-N 3.34Å; Q202-A205 PolarHBondContact O-N 3.4Å; Q203-A205 VanDerWaalsContact C-N 3.34Å; Q203-A205 PolarHBondContact O-N 3.03Å; A205-Q207 PolarHBondContact O-N 2.86Å; A205-S208 PolarHBondContact O-N 3.15Å; A205-I209 WeakPolarHBondContact O-CB 3.42Å; A205-I209 WeakPolarHBondContact O-CD1 3.48Å; A205-I209 WeakPolarHBondContact O-CG1 3.49Å; A205-I209 PolarHBondContact O-N 3.45Å
206L98.7Very high96.8Very high1 Ų140.2 Ų40.21%0.00520%0.204CC..Hα-helixtrans-58.2-44.8176.5-73.2164.8000112.2L194 Q202 Q203 S208 I209 R210 L230 V238 A241 V242 L245L194-L206 HydrophobicContact CD1-CD2 4.37Å; L194-L206 HydrophobicContact CD2-CD2 3.83Å; L194-L206 HydrophobicContact CD2-CG 3.75Å; Q202-L206 WeakPolarHBondContact O-CB 3.45Å; Q202-L206 VanDerWaalsContact O-CG 3.26Å; Q202-L206 WeakPolarHBondContact O-CG 3.49Å; Q202-L206 PolarHBondContact O-N 2.88Å; Q203-L206 PolarHBondContact O-N 3.47Å; L206-S208 VanDerWaalsContact C-N 3.34Å; L206-S208 PolarHBondContact O-N 3.43Å; L206-I209 PolarHBondContact O-N 2.96Å; L206-R210 WeakPolarHBondContact O-CB 3.28Å; L206-R210 PolarHBondContact O-N 3.33Å; L206-L230 HydrophobicContact CD1-CD1 4.15Å; L206-L230 HydrophobicContact CD2-CD1 3.99Å; L206-L230 HydrophobicContact CG-CD1 4.34Å; L206-V238 HydrophobicContact CD1-CG1 4.15Å; L206-A241 HydrophobicContact CB-CB 3.83Å; L206-A241 HydrophobicContact CD1-CB 3.74Å; L206-A241 HydrophobicContact CG-CB 4.46Å; L206-V242 HydrophobicContact CD1-CG2 3.59Å; L206-V242 HydrophobicContact CD2-CG2 4.13Å; L206-L245 HydrophobicContact CD2-CD2 3.73Å
207Q98.4Very high96.5Very high65 Ų6546.9 Ų46.930%0.30424%0.239SC..Hα-helixtrans-59.9-44.8177-73.5173.8-6.700111.8Q203 L204 A205 R210 I211Q203-Q207 WeakPolarHBondContact O-CG 3.38Å; Q203-Q207 PolarHBondContact O-N 3.46Å; L204-Q207 PolarHBondContact O-N 3.02Å; A205-Q207 PolarHBondContact O-N 2.86Å; Q207-R210 WeakPolarHBondContact O-CB 3.41Å; Q207-R210 PolarHBondContact O-N 3.18Å; Q207-I211 WeakPolarHBondContact O-CG1 3.33Å; Q207-I211 PolarHBondContact O-N 3.49Å; Q207-I211 VanDerWaalsContact O-N 3.16Å
208S98.5Very high96.5Very high0 Ų043.4 Ų43.40%022%0.224CC..Hα-helixtrans-67.3-43.5178.9-49.70000111.5R169 E173 L204 A205 L206 R210 I211 L212R169-S208 WeakPolarHBondContact CG-OG 3.18Å; E173-S208 PolarHBondContact OE1-OG 3.34Å; L204-S208 PolarHBondContact O-N 2.7Å; L204-S208 VanDerWaalsContact O-N 3.09Å; L204-S208 PolarHBondContact O-OG 2.96Å; A205-S208 PolarHBondContact O-N 3.15Å; L206-S208 VanDerWaalsContact C-N 3.34Å; L206-S208 PolarHBondContact O-N 3.43Å; S208-R210 VanDerWaalsContact C-N 3.28Å; S208-R210 PolarHBondContact O-N 3.1Å; S208-I211 PolarHBondContact O-N 3.49Å; S208-L212 WeakPolarHBondContact O-CG 3.16Å; S208-L212 PolarHBondContact O-N 3.34Å
209I98.4Very high96.4Very high0 Ų042.9 Ų42.90%022%0.22CC..Hα-helixtrans-58-43.1175.7-70.1165000110Y187 L190 I191 L194 A205 L206 L212 Q213 L223 L245Y187-I209 HydrophobicContact CE2-CB 4.45Å; Y187-I209 HydrophobicContact CE2-CG2 3.73Å; L190-I209 HydrophobicContact CB-CD1 4.07Å; L190-I209 HydrophobicContact CB-CG1 3.63Å; L190-I209 HydrophobicContact CD1-CG1 4.48Å; I191-I209 HydrophobicContact CG1-CD1 3.92Å; I191-I209 HydrophobicContact CG1-CG1 4.4Å; L194-I209 HydrophobicContact CD1-CD1 3.85Å; L194-I209 HydrophobicContact CD2-CD1 4.05Å; L194-I209 HydrophobicContact CG-CD1 4.06Å; A205-I209 WeakPolarHBondContact O-CB 3.42Å; A205-I209 WeakPolarHBondContact O-CD1 3.48Å; A205-I209 WeakPolarHBondContact O-CG1 3.49Å; A205-I209 PolarHBondContact O-N 3.45Å; L206-I209 PolarHBondContact O-N 2.96Å; I209-L212 PolarHBondContact O-N 3.25Å; I209-Q213 WeakPolarHBondContact O-CB 3.48Å; I209-Q213 PolarHBondContact O-N 3.15Å; I209-L223 HydrophobicContact CG2-CD1 4.4Å; I209-L223 HydrophobicContact CG2-CD2 4.11Å; I209-L245 HydrophobicContact CG2-CD1 3.91Å; I209-L245 HydrophobicContact CG2-CD2 3.92Å
210R97.7Very high96.2Very high85 Ų8543.4 Ų43.432%0.32122%0.222SC..Hα-helixtrans-60.5-47.4177.9-172.7-17667.2122.75.6112L206 Q207 S208 Q213 A214 E244 L245 V248L206-R210 WeakPolarHBondContact O-CB 3.28Å; L206-R210 PolarHBondContact O-N 3.33Å; Q207-R210 WeakPolarHBondContact O-CB 3.41Å; Q207-R210 PolarHBondContact O-N 3.18Å; S208-R210 VanDerWaalsContact C-N 3.28Å; S208-R210 PolarHBondContact O-N 3.1Å; R210-Q213 PolarHBondContact O-N 2.64Å; R210-A214 PolarHBondContact O-N 3.41Å; R210-E244 WeakPolarHBondContact CD-O 3.44Å; R210-E244 IonicContact NH1-OE2 3.17Å; R210-E244 PolarHBondContact NH1-OE2 3.1Å; R210-L245 HydrophobicContact CB-CD1 3.99Å; R210-L245 HydrophobicContact CG-CD1 4.43Å; R210-V248 HydrophobicContact CG-CB 4.28Å; R210-V248 HydrophobicContact CG-CG2 3.62Å
211I96.4Very high96.1Very high76 Ų7648.2 Ų48.239%0.3924%0.239SC..Hα-helixtrans-61.7-45.4178.2-66.5165.9000110.8Q207 S208Q207-I211 WeakPolarHBondContact O-CG1 3.33Å; Q207-I211 PolarHBondContact O-N 3.49Å; Q207-I211 VanDerWaalsContact O-N 3.16Å; S208-I211 PolarHBondContact O-N 3.49Å
212L96.1Very high95.9Very high24 Ų2450 Ų5013%0.12625%0.254CS..Hα-helixtrans-70.3-38.6-179.6-67.2-178.9000112A176 V186 Y187 L190 S208 I209 A214 K215 R216A176-L212 HydrophobicContact CB-CD1 4.09Å; A176-L212 HydrophobicContact CB-CD2 3.73Å; V186-L212 HydrophobicContact CG1-CD1 4.41Å; Y187-L212 HydrophobicContact CD2-CB 3.86Å; Y187-L212 HydrophobicContact CD2-CD1 4.43Å; Y187-L212 HydrophobicContact CE2-CB 4.44Å; L190-L212 HydrophobicContact CD1-CD1 3.56Å; S208-L212 WeakPolarHBondContact O-CG 3.16Å; S208-L212 PolarHBondContact O-N 3.34Å; I209-L212 PolarHBondContact O-N 3.25Å; L212-A214 VanDerWaalsContact C-N 3.31Å; L212-A214 PolarHBondContact O-N 3.11Å; L212-K215 PolarHBondContact O-N 3.05Å; L212-R216 WeakPolarHBondContact O-CG 3.36Å
213Q96Very high95.8Very high0 Ų049.5 Ų49.50%025%0.251CS..Hα-helixtrans-61.3-39179.8-178.357.632.600112Y187 I209 R210 K215 R216 T218 V248 L249 F252Y187-Q213 HydrophobicContact CE2-CB 4.13Å; Y187-Q213 PolarHBondContact OH-OE1 3.12Å; I209-Q213 WeakPolarHBondContact O-CB 3.48Å; I209-Q213 PolarHBondContact O-N 3.15Å; R210-Q213 PolarHBondContact O-N 2.64Å; Q213-K215 PolarHBondContact O-N 3.36Å; Q213-R216 WeakPolarHBondContact O-CB 3.25Å; Q213-R216 PolarHBondContact O-N 3.19Å; Q213-T218 PolarHBondContact NE2-O 3.5Å; Q213-V248 HydrophobicContact CG-CG1 4.27Å; Q213-L249 HydrophobicContact CG-CD2 3.75Å; Q213-F252 HydrophobicContact CG-CE2 3.97Å; Q213-F252 HydrophobicContact CG-CZ 3.97Å; Q213-F252 VanDerWaalsContact NE2-CD1 3.27Å; Q213-F252 WeakPolarHBondContact O-CZ 3.3Å
214A92.7Very high95.7Very high69 Ų6948.7 Ų48.757%0.5725%0.248SC*.THydrogen-bonded Turntrans-59.8-19178.800000113.7R210 L212R210-A214 PolarHBondContact O-N 3.41Å; L212-A214 VanDerWaalsContact C-N 3.31Å; L212-A214 PolarHBondContact O-N 3.11Å
215K91.9Very high95.5Very high146 Ų14654.1 Ų54.164%0.63528%0.277SS*.THydrogen-bonded Turntrans-93.53.1177.6-57.4178.3-176.5177.80113L212 Q213L212-K215 PolarHBondContact O-N 3.05Å; Q213-K215 PolarHBondContact O-N 3.36Å
216R92Very high95.4Very high58 Ų5858.1 Ų58.122%0.21929%0.292CS..  trans-113161.8-174-48.9-176.895.6-138.72.3110.3D184 L212 Q213 F252D184-R216 IonicContact OD1-CZ 3.69Å; D184-R216 IonicContact OD1-NH1 3.42Å; D184-R216 IonicContact OD1-NH2 2.78Å; D184-R216 PolarHBondContact OD1-NH2 2.91Å; L212-R216 WeakPolarHBondContact O-CG 3.36Å; Q213-R216 WeakPolarHBondContact O-CB 3.25Å; Q213-R216 PolarHBondContact O-N 3.19Å; R216-F252 WeakPolarHBondContact O-CE1 3.18Å; R216-F252 WeakPolarHBondContact O-CZ 3.47Å
217N90.5Very high95.4Very high156 Ų15658.3 Ų58.383%0.83429%0.293SS*.SBendtrans-96.7-23.4176.2-63.3-17.3000112.9
218T93.2Very high95.2Very high82 Ų8257.1 Ų57.150%0.50329%0.29SS..SBendtrans-126.5148.6-178.257.10000110.3Q213Q213-T218 PolarHBondContact NE2-O 3.5Å
219A94.5Very high95Very high10 Ų1061.4 Ų61.48%0.08331%0.307CS..  trans-98147.9175.400000111.1R221 L249 F252 D253 I254A219-R221 PolarHBondContact O-N 3.38Å; A219-L249 HydrophobicContact CB-CD2 3.74Å; A219-F252 HydrophobicContact CB-CB 3.93Å; A219-F252 HydrophobicContact CB-CD1 4.2Å; A219-F252 HydrophobicContact CB-CG 4.1Å; A219-D253 PolarHBondContact N-OD1 2.97Å; A219-I254 HydrophobicContact CB-CD1 3.41Å; A219-I254 VanDerWaalsContact CB-CD1 3.41Å; A219-I254 HydrophobicContact CB-CG1 3.72Å; A219-I254 HydrophobicContact CB-CG2 4.29Å
220N93.9Very high94.9Very high41 Ų4161.5 Ų61.522%0.21931%0.307CS..  trans-77.9116.1173.1-176-16.2000109.4Y187 I191 A222 L223Y187-N220 HydrophobicContact CE1-CB 3.76Å; I191-N220 HydrophobicContact CD1-CB 3.8Å; I191-N220 WeakPolarHBondContact CD1-ND2 3.44Å; N220-A222 PolarHBondContact O-N 2.95Å; N220-A222 VanDerWaalsContact O-N 3.07Å; N220-A222 VanDerWaalsContact OD1-CB 3.27Å; N220-A222 WeakPolarHBondContact OD1-CB 3.41Å; N220-A222 PolarHBondContact OD1-N 2.99Å; N220-L223 VanDerWaalsContact O-CB 3.25Å; N220-L223 WeakPolarHBondContact O-CB 3.46Å; N220-L223 WeakPolarHBondContact O-CG 3.4Å; N220-L223 PolarHBondContact O-N 3.49Å
221R95.6Very high94.8Very high143 Ų14357.4 Ų57.454%0.5429%0.292SS..THydrogen-bonded Turntrans-55.7-25.2179.2-75.3-175164.1-124.9-20114.1A219 L223 I224 I254 D257A219-R221 PolarHBondContact O-N 3.38Å; R221-L223 PolarHBondContact O-N 3.42Å; R221-L223 VanDerWaalsContact O-N 3.07Å; R221-I224 HydrophobicContact CB-CD1 4.44Å; R221-I224 WeakPolarHBondContact O-CG1 3.15Å; R221-I224 PolarHBondContact O-N 2.66Å; R221-I224 VanDerWaalsContact O-N 3.07Å; R221-I254 HydrophobicContact CG-CG2 3.76Å; R221-D257 IonicContact CZ-OD2 2.67Å; R221-D257 IonicContact NH1-OD2 3.79Å; R221-D257 IonicContact NH2-OD2 3.35Å; R221-D257 PolarHBondContact NH2-OD2 3.15Å
222A94.6Very high94.7Very high38 Ų3856.5 Ų56.531%0.31429%0.286SS..Hα-helixtrans-59.1-19.7173.200000113.1N220 I224 R226N220-A222 PolarHBondContact O-N 2.95Å; N220-A222 VanDerWaalsContact O-N 3.07Å; N220-A222 VanDerWaalsContact OD1-CB 3.27Å; N220-A222 WeakPolarHBondContact OD1-CB 3.41Å; N220-A222 PolarHBondContact OD1-N 2.99Å; A222-I224 VanDerWaalsContact C-N 3.25Å; A222-I224 PolarHBondContact O-N 3.24Å; A222-R226 VanDerWaalsContact O-CG 3.28Å; A222-R226 WeakPolarHBondContact O-CG 3.39Å; A222-R226 PolarHBondContact O-N 3.03Å
223L96.8Very high94.6Very high0 Ų056.2 Ų56.20%029%0.286CS..Hα-helixtrans-64.3-27.8175.2-74175.4000113.2Y187 I191 L194 I209 N220 R221 R226 I227 L245 L249Y187-L223 WeakPolarHBondContact OH-CD1 3.27Å; I191-L223 HydrophobicContact CD1-CD2 3.96Å; I191-L223 HydrophobicContact CD1-CG 4.07Å; I191-L223 HydrophobicContact CG1-CD2 3.85Å; L194-L223 HydrophobicContact CD1-CD2 4.27Å; I209-L223 HydrophobicContact CG2-CD1 4.4Å; I209-L223 HydrophobicContact CG2-CD2 4.11Å; N220-L223 VanDerWaalsContact O-CB 3.25Å; N220-L223 WeakPolarHBondContact O-CB 3.46Å; N220-L223 WeakPolarHBondContact O-CG 3.4Å; N220-L223 PolarHBondContact O-N 3.49Å; R221-L223 PolarHBondContact O-N 3.42Å; R221-L223 VanDerWaalsContact O-N 3.07Å; L223-R226 CarbonylContact O-C 3.52Å; L223-R226 PolarHBondContact O-N 3.4Å; L223-I227 HydrophobicContact CB-CD1 4.3Å; L223-I227 WeakPolarHBondContact O-CB 3.45Å; L223-I227 WeakPolarHBondContact O-CD1 3.47Å; L223-I227 WeakPolarHBondContact O-CG1 3.48Å; L223-I227 PolarHBondContact O-N 3.46Å; L223-L245 HydrophobicContact CD2-CD2 4.2Å; L223-L249 HydrophobicContact CD1-CD1 4.01Å; L223-L249 HydrophobicContact CD1-CD2 4.01Å
224I96.8Very high94.4Very high26 Ų2660.9 Ų60.913%0.13331%0.311CS..Hα-helixtrans-60.7-52.9-178-60.1160.5000109.5R221 A222 R226 I227 V228 I254 D257 I258 A261R221-I224 HydrophobicContact CB-CD1 4.44Å; R221-I224 WeakPolarHBondContact O-CG1 3.15Å; R221-I224 PolarHBondContact O-N 2.66Å; R221-I224 VanDerWaalsContact O-N 3.07Å; A222-I224 VanDerWaalsContact C-N 3.25Å; A222-I224 PolarHBondContact O-N 3.24Å; I224-R226 PolarHBondContact O-N 3.41Å; I224-I227 PolarHBondContact O-N 3.01Å; I224-V228 WeakPolarHBondContact O-CG2 3.47Å; I224-V228 PolarHBondContact O-N 3.16Å; I224-I254 HydrophobicContact CD1-CB 4.43Å; I224-I254 HydrophobicContact CG1-CD1 4.38Å; I224-D257 HydrophobicContact CD1-CB 3.63Å; I224-I258 HydrophobicContact CG1-CG1 4.05Å; I224-A261 HydrophobicContact CG2-CB 4.09Å
225D94.9Very high94.5Very high116 Ų11661.5 Ų61.562%0.6230%0.301SS*.Hα-helixtrans-61.6-33.4177.4-61-25.8000112.1Y229D225-Y229 VanDerWaalsContact O-CB 3.28Å; D225-Y229 WeakPolarHBondContact O-CB 3.43Å; D225-Y229 PolarHBondContact O-N 3.23Å
226R96.8Very high94.6Very high85 Ų8560.3 Ų60.332%0.32130%0.301SS..Hα-helixtrans-73.2-38.9178.3-59.1-63.5168.5-154.1-5.7112.4I191 L194 A222 L223 I224 Y229 L230I191-R226 HydrophobicContact CG2-CG 4.45Å; L194-R226 HydrophobicContact CB-CG 4.41Å; L194-R226 HydrophobicContact CD1-CB 3.69Å; L194-R226 HydrophobicContact CD1-CG 3.93Å; A222-R226 VanDerWaalsContact O-CG 3.28Å; A222-R226 WeakPolarHBondContact O-CG 3.39Å; A222-R226 PolarHBondContact O-N 3.03Å; L223-R226 CarbonylContact O-C 3.52Å; L223-R226 PolarHBondContact O-N 3.4Å; I224-R226 PolarHBondContact O-N 3.41Å; R226-Y229 PolarHBondContact O-N 2.9Å; R226-L230 VanDerWaalsContact O-CB 3.3Å; R226-L230 WeakPolarHBondContact O-CB 3.33Å; R226-L230 WeakPolarHBondContact O-CD1 3.34Å; R226-L230 WeakPolarHBondContact O-CG 3.28Å; R226-L230 PolarHBondContact O-N 3.39Å
227I96.8Very high94.8Very high5 Ų561.4 Ų61.43%0.02631%0.309CS..Hα-helixtrans-61.6-50.7175.1-73.4157000108.9L223 I224 Y229 L230 L231 V242 V246 L249 I258L223-I227 HydrophobicContact CB-CD1 4.3Å; L223-I227 WeakPolarHBondContact O-CB 3.45Å; L223-I227 WeakPolarHBondContact O-CD1 3.47Å; L223-I227 WeakPolarHBondContact O-CG1 3.48Å; L223-I227 PolarHBondContact O-N 3.46Å; I224-I227 PolarHBondContact O-N 3.01Å; I227-Y229 PolarHBondContact O-N 2.78Å; I227-L230 PolarHBondContact O-N 3.39Å; I227-L230 VanDerWaalsContact O-N 3.17Å; I227-L231 HydrophobicContact CG2-CD1 4.04Å; I227-L231 HydrophobicContact CG2-CG 4.5Å; I227-L231 WeakPolarHBondContact O-CG 3.46Å; I227-L231 PolarHBondContact O-N 2.91Å; I227-V242 HydrophobicContact CB-CG1 4.27Å; I227-V242 HydrophobicContact CG1-CG1 4.23Å; I227-V242 HydrophobicContact CG2-CG1 3.81Å; I227-V246 HydrophobicContact CD1-CG2 3.89Å; I227-V246 HydrophobicContact CG1-CG2 4.08Å; I227-V246 HydrophobicContact CG2-CG2 3.74Å; I227-L249 HydrophobicContact CD1-CD1 3.63Å; I227-I258 HydrophobicContact CD1-CD1 4.18Å; I227-I258 HydrophobicContact CD1-CG1 4.47Å
228V94.6Very high95.2Very high39 Ų3954 Ų5424%0.23627%0.269CS..Hα-helixtrans-54-55.8176.8170.60000109.8I224 L230 L231 A261 L265 Q379I224-V228 WeakPolarHBondContact O-CG2 3.47Å; I224-V228 PolarHBondContact O-N 3.16Å; V228-L230 VanDerWaalsContact C-N 3.28Å; V228-L230 PolarHBondContact O-N 2.91Å; V228-L231 PolarHBondContact O-N 3.02Å; V228-A261 HydrophobicContact CG2-CB 3.87Å; V228-L265 HydrophobicContact CG1-CD1 4.3Å; V228-L265 HydrophobicContact CG1-CD2 4.09Å; V228-L265 HydrophobicContact CG2-CD1 4.27Å; V228-Q379 PolarHBondContact O-NE2 2.96Å
229Y94.6Very high95.4Very high90 Ų9050.7 Ų50.735%0.35325%0.248SC..Hα-helixtrans-59.4-31.6179.7175.8-105.4000114.5D225 R226 I227 E232D225-Y229 VanDerWaalsContact O-CB 3.28Å; D225-Y229 WeakPolarHBondContact O-CB 3.43Å; D225-Y229 PolarHBondContact O-N 3.23Å; R226-Y229 PolarHBondContact O-N 2.9Å; I227-Y229 PolarHBondContact O-N 2.78Å; Y229-E232 WeakPolarHBondContact CD2-OE1 3.11Å; Y229-E232 WeakPolarHBondContact CE2-OE1 3.27Å; Y229-E232 WeakPolarHBondContact O-CG 3.46Å
230L96.5Very high95.5Very high2 Ų253.6 Ų53.61%0.0127%0.268CS..Hα-helixtrans-88.1-16.6-177.2-69.3169.3000113.4L194 Q202 L206 R226 I227 V228 E232 S233 V238 V242L194-L230 HydrophobicContact CB-CD1 4.13Å; L194-L230 HydrophobicContact CD1-CD1 4.25Å; L194-L230 HydrophobicContact CD2-CD1 3.95Å; L194-L230 HydrophobicContact CG-CD1 4.32Å; Q202-L230 HydrophobicContact CB-CD2 4.44Å; Q202-L230 VanDerWaalsContact CD-CD2 3.46Å; Q202-L230 HydrophobicContact CG-CD2 4.05Å; L206-L230 HydrophobicContact CD1-CD1 4.15Å; L206-L230 HydrophobicContact CD2-CD1 3.99Å; L206-L230 HydrophobicContact CG-CD1 4.34Å; R226-L230 VanDerWaalsContact O-CB 3.3Å; R226-L230 WeakPolarHBondContact O-CB 3.33Å; R226-L230 WeakPolarHBondContact O-CD1 3.34Å; R226-L230 WeakPolarHBondContact O-CG 3.28Å; R226-L230 PolarHBondContact O-N 3.39Å; I227-L230 PolarHBondContact O-N 3.39Å; I227-L230 VanDerWaalsContact O-N 3.17Å; V228-L230 VanDerWaalsContact C-N 3.28Å; V228-L230 PolarHBondContact O-N 2.91Å; L230-E232 VanDerWaalsContact C-N 3.27Å; L230-E232 PolarHBondContact O-N 3.4Å; L230-S233 WeakPolarHBondContact O-CB 3.42Å; L230-S233 PolarHBondContact O-N 2.91Å; L230-V238 HydrophobicContact CB-CG1 4.26Å; L230-V238 HydrophobicContact CD2-CG1 4.07Å; L230-V242 HydrophobicContact CB-CG2 3.48Å; L230-V242 VanDerWaalsContact CB-CG2 3.48Å; L230-V242 HydrophobicContact CD1-CG2 4.16Å; L230-V242 HydrophobicContact CG-CG2 4.48Å
231L95.9Very high95.7Very high0 Ų052.1 Ų52.10%026%0.261CS..Hα-helixtrans-70.8-20.8174.1-73.4171.7000113I227 V228 S233 V242 L262 L265 Q379 A382I227-L231 HydrophobicContact CG2-CD1 4.04Å; I227-L231 HydrophobicContact CG2-CG 4.5Å; I227-L231 WeakPolarHBondContact O-CG 3.46Å; I227-L231 PolarHBondContact O-N 2.91Å; V228-L231 PolarHBondContact O-N 3.02Å; L231-S233 PolarHBondContact O-N 3.44Å; L231-V242 HydrophobicContact CD2-CB 4.38Å; L231-V242 HydrophobicContact CD2-CG1 3.86Å; L231-V242 HydrophobicContact CG-CG1 4.03Å; L231-L262 HydrophobicContact CD1-CD2 3.47Å; L231-L262 VanDerWaalsContact CD1-CD2 3.47Å; L231-L265 HydrophobicContact CD1-CD1 4.03Å; L231-Q379 HydrophobicContact CB-CG 4.03Å; L231-A382 HydrophobicContact CB-CB 4.16Å; L231-A382 HydrophobicContact CD2-CB 3.81Å
232E93.5Very high95.9Very high57 Ų5745.3 Ų45.327%0.26624%0.235SC..THydrogen-bonded Turntrans-77.1-5.7171.156.7167.2-151.300113.5Y229 L230 L234 Q379Y229-E232 WeakPolarHBondContact CD2-OE1 3.11Å; Y229-E232 WeakPolarHBondContact CE2-OE1 3.27Å; Y229-E232 WeakPolarHBondContact O-CG 3.46Å; L230-E232 VanDerWaalsContact C-N 3.27Å; L230-E232 PolarHBondContact O-N 3.4Å; E232-L234 PolarHBondContact O-N 3.5Å; E232-Q379 HydrophobicContact CB-CB 4Å; E232-Q379 HydrophobicContact CB-CG 4.28Å
233S93.9Very high96.1Very high18 Ų1843.8 Ų43.813%0.12622%0.222CC..  trans-62.9133.6179.8-176.40000111.3L230 L231 H235 Q239L230-S233 WeakPolarHBondContact O-CB 3.42Å; L230-S233 PolarHBondContact O-N 2.91Å; L231-S233 PolarHBondContact O-N 3.44Å; S233-H235 PolarHBondContact O-N 3.11Å; S233-H235 PolarHBondContact OG-N 3.38Å; S233-Q239 PolarHBondContact O-NE2 3.33Å
234L92.6Very high96.1Very high98 Ų9846.7 Ų46.751%0.51324%0.236SC..SBendtrans-72.8-7.9172.5-58-178.9000112.9E232 P373 V378E232-L234 PolarHBondContact O-N 3.5Å; L234-P373 HydrophobicContact CD2-CG 4.43Å; L234-V378 HydrophobicContact CD2-CB 4.39Å; L234-V378 HydrophobicContact CD2-CG1 4.19Å; L234-V378 HydrophobicContact CD2-CG2 3.72Å
235H95.1Very high96.2Very high81 Ų8145.4 Ų45.438%0.37523%0.229SC..  trans-90.6109.4-178-63.5-81.1000110.9P199 S233 E237 V238 Q239P199-H235 HydrophobicContact CB-CB 3.9Å; P199-H235 VanDerWaalsContact CB-CG 3.5Å; P199-H235 HydrophobicContact CG-CB 4.43Å; P199-H235 WeakPolarHBondContact CG-CD2 3.25Å; P199-H235 VanDerWaalsContact CG-CE1 3.44Å; P199-H235 WeakPolarHBondContact CG-CE1 3.45Å; P199-H235 WeakPolarHBondContact CG-NE2 3.5Å; S233-H235 PolarHBondContact O-N 3.11Å; S233-H235 PolarHBondContact OG-N 3.38Å; H235-E237 IonicContact CG-OE1 2.66Å; H235-E237 IonicContact ND1-OE1 3.7Å; H235-E237 PolarHBondContact O-N 3.43Å; H235-V238 HydrophobicContact CB-CB 4.23Å; H235-V238 HydrophobicContact CB-CG2 3.82Å; H235-V238 WeakPolarHBondContact O-CB 3.43Å; H235-V238 PolarHBondContact O-N 3.03Å; H235-Q239 PolarHBondContact O-N 3.48Å; H235-Q239 VanDerWaalsContact O-N 3.13Å
236L94.3Very high96.4Very high122 Ų12239.9 Ų39.964%0.63920%0.2SC*.Hα-helixtrans-60.9-32.2-176.1-62.3-178.9000112.7V238 Q239 S240L236-V238 VanDerWaalsContact C-N 3.3Å; L236-V238 PolarHBondContact O-N 3.25Å; L236-Q239 PolarHBondContact O-N 3.43Å; L236-S240 VanDerWaalsContact O-CB 3.26Å; L236-S240 WeakPolarHBondContact O-CB 3.38Å; L236-S240 PolarHBondContact O-N 2.98Å
237E96.4Very high96.4Very high81 Ų8140.2 Ų40.238%0.37920%0.201SC..Hα-helixtrans-64.3-33174.562.7-84.1-169.300113Q203 H235 A241Q203-E237 HydrophobicContact CG-CB 4.48Å; H235-E237 IonicContact CG-OE1 2.66Å; H235-E237 IonicContact ND1-OE1 3.7Å; H235-E237 PolarHBondContact O-N 3.43Å; E237-A241 WeakPolarHBondContact O-CB 3.22Å; E237-A241 PolarHBondContact O-N 2.87Å; E237-A241 VanDerWaalsContact O-N 3.14Å
238V97.8Very high96.4Very high0 Ų042 Ų420%021%0.212CC..Hα-helixtrans-72.5-50.3174.8178.40000109.3P199 Q202 L206 L230 H235 L236 S240 A241 V242P199-V238 HydrophobicContact CB-CG2 3.86Å; P199-V238 WeakPolarHBondContact O-CG2 3.35Å; Q202-V238 HydrophobicContact CB-CG1 4.24Å; Q202-V238 HydrophobicContact CB-CG2 4.19Å; L206-V238 HydrophobicContact CD1-CG1 4.15Å; L230-V238 HydrophobicContact CB-CG1 4.26Å; L230-V238 HydrophobicContact CD2-CG1 4.07Å; H235-V238 HydrophobicContact CB-CB 4.23Å; H235-V238 HydrophobicContact CB-CG2 3.82Å; H235-V238 WeakPolarHBondContact O-CB 3.43Å; H235-V238 PolarHBondContact O-N 3.03Å; L236-V238 VanDerWaalsContact C-N 3.3Å; L236-V238 PolarHBondContact O-N 3.25Å; V238-S240 VanDerWaalsContact C-N 3.32Å; V238-S240 PolarHBondContact O-N 2.95Å; V238-A241 PolarHBondContact O-N 3.48Å; V238-A241 VanDerWaalsContact O-N 3.13Å; V238-V242 HydrophobicContact CG1-CG2 4.46Å; V238-V242 WeakPolarHBondContact O-CG2 3.32Å; V238-V242 PolarHBondContact O-N 3.24Å
239Q96.9Very high96.6Very high13 Ų1340.1 Ų40.16%0.06120%0.2CC..Hα-helixtrans-57.6-44.7177.8-66.2-172.16.400112S233 H235 L236 A241 V242 I243 V378S233-Q239 PolarHBondContact O-NE2 3.33Å; H235-Q239 PolarHBondContact O-N 3.48Å; H235-Q239 VanDerWaalsContact O-N 3.13Å; L236-Q239 PolarHBondContact O-N 3.43Å; Q239-A241 VanDerWaalsContact C-N 3.33Å; Q239-A241 PolarHBondContact O-N 2.94Å; Q239-V242 WeakPolarHBondContact O-CB 3.44Å; Q239-V242 PolarHBondContact O-N 3.47Å; Q239-I243 WeakPolarHBondContact O-CG1 3.47Å; Q239-I243 PolarHBondContact O-N 2.91Å; Q239-V378 VanDerWaalsContact NE2-CG1 3.34Å
240S97.9Very high96.7Very high70 Ų7037.1 Ų37.149%0.4919%0.19SC..Hα-helixtrans-60-43.5176.7176.70000111.6L236 V238 V242 I243 E244L236-S240 VanDerWaalsContact O-CB 3.26Å; L236-S240 WeakPolarHBondContact O-CB 3.38Å; L236-S240 PolarHBondContact O-N 2.98Å; V238-S240 VanDerWaalsContact C-N 3.32Å; V238-S240 PolarHBondContact O-N 2.95Å; S240-V242 VanDerWaalsContact C-N 3.34Å; S240-V242 PolarHBondContact O-N 3.26Å; S240-I243 PolarHBondContact O-N 3.34Å; S240-E244 WeakPolarHBondContact O-CG 3.4Å; S240-E244 PolarHBondContact O-N 3.47Å
241A98.3Very high96.6Very high10 Ų1040.4 Ų40.48%0.08322%0.224CC..Hα-helixtrans-66.5-34.9176.600000112.7Q203 L206 E237 V238 Q239 L245Q203-A241 HydrophobicContact CG-CB 4.3Å; L206-A241 HydrophobicContact CB-CB 3.83Å; L206-A241 HydrophobicContact CD1-CB 3.74Å; L206-A241 HydrophobicContact CG-CB 4.46Å; E237-A241 WeakPolarHBondContact O-CB 3.22Å; E237-A241 PolarHBondContact O-N 2.87Å; E237-A241 VanDerWaalsContact O-N 3.14Å; V238-A241 PolarHBondContact O-N 3.48Å; V238-A241 VanDerWaalsContact O-N 3.13Å; Q239-A241 VanDerWaalsContact C-N 3.33Å; Q239-A241 PolarHBondContact O-N 2.94Å; A241-L245 PolarHBondContact O-N 3.06Å
242V98.5Very high96.7Very high0 Ų041.8 Ų41.80%023%0.23CC..Hα-helixtrans-63.2-49.5173173.60000110.3L206 I227 L230 L231 V238 Q239 S240 E244 L245 V246L206-V242 HydrophobicContact CD1-CG2 3.59Å; L206-V242 HydrophobicContact CD2-CG2 4.13Å; I227-V242 HydrophobicContact CB-CG1 4.27Å; I227-V242 HydrophobicContact CG1-CG1 4.23Å; I227-V242 HydrophobicContact CG2-CG1 3.81Å; L230-V242 HydrophobicContact CB-CG2 3.48Å; L230-V242 VanDerWaalsContact CB-CG2 3.48Å; L230-V242 HydrophobicContact CD1-CG2 4.16Å; L230-V242 HydrophobicContact CG-CG2 4.48Å; L231-V242 HydrophobicContact CD2-CB 4.38Å; L231-V242 HydrophobicContact CD2-CG1 3.86Å; L231-V242 HydrophobicContact CG-CG1 4.03Å; V238-V242 HydrophobicContact CG1-CG2 4.46Å; V238-V242 WeakPolarHBondContact O-CG2 3.32Å; V238-V242 PolarHBondContact O-N 3.24Å; Q239-V242 WeakPolarHBondContact O-CB 3.44Å; Q239-V242 PolarHBondContact O-N 3.47Å; S240-V242 VanDerWaalsContact C-N 3.34Å; S240-V242 PolarHBondContact O-N 3.26Å; V242-E244 VanDerWaalsContact C-N 3.33Å; V242-E244 PolarHBondContact O-N 3.48Å; V242-L245 WeakPolarHBondContact O-CB 3.47Å; V242-L245 PolarHBondContact O-N 3.39Å; V242-L245 VanDerWaalsContact O-N 3.11Å; V242-V246 HydrophobicContact CG1-CG2 4.24Å; V242-V246 WeakPolarHBondContact O-CG2 3.35Å; V242-V246 PolarHBondContact O-N 3.38Å
243I98.2Very high96.7Very high7 Ų743.7 Ų43.74%0.03624%0.242CC..Hα-helixtrans-60-44.9-179.7-67168.5000110.3Q239 S240 L245 V246 R247 K385 C386 I389Q239-I243 WeakPolarHBondContact O-CG1 3.47Å; Q239-I243 PolarHBondContact O-N 2.91Å; S240-I243 PolarHBondContact O-N 3.34Å; I243-L245 VanDerWaalsContact C-N 3.29Å; I243-L245 PolarHBondContact O-N 3.48Å; I243-V246 WeakPolarHBondContact O-CB 3.36Å; I243-V246 PolarHBondContact O-N 2.58Å; I243-V246 VanDerWaalsContact O-N 3.11Å; I243-R247 WeakPolarHBondContact O-CG 3.27Å; I243-R247 PolarHBondContact O-N 3.18Å; I243-K385 HydrophobicContact CD1-CD 4.37Å; I243-K385 HydrophobicContact CD1-CG 4.4Å; I243-C386 HydrophobicContact CG1-CB 4.11Å; I243-I389 HydrophobicContact CG2-CD1 3.89Å
244E98.2Very high96.8Very high60 Ų6042.8 Ų42.828%0.2824%0.236SC..Hα-helixtrans-61.9-35.2176.2-76.6-62.3127.300113.2R210 S240 V242 R247R210-E244 WeakPolarHBondContact CD-O 3.44Å; R210-E244 IonicContact NH1-OE2 3.17Å; R210-E244 PolarHBondContact NH1-OE2 3.1Å; S240-E244 WeakPolarHBondContact O-CG 3.4Å; S240-E244 PolarHBondContact O-N 3.47Å; V242-E244 VanDerWaalsContact C-N 3.33Å; V242-E244 PolarHBondContact O-N 3.48Å; E244-R247 WeakPolarHBondContact OE1-CD 3.34Å; E244-R247 IonicContact OE1-CZ 3.76Å; E244-R247 IonicContact OE1-NH1 4Å; E244-R247 PolarHBondContact OE1-NH1 2.88Å; E244-R247 IonicContact OE2-NH1 3.43Å
245L98.4Very high97Very high0 Ų039 Ų390%022%0.217CC..Hα-helixtrans-67.8-44.6171.7175.160.7000111.2L206 I209 R210 L223 A241 V242 I243 R247 V248 L249L206-L245 HydrophobicContact CD2-CD2 3.73Å; I209-L245 HydrophobicContact CG2-CD1 3.91Å; I209-L245 HydrophobicContact CG2-CD2 3.92Å; R210-L245 HydrophobicContact CB-CD1 3.99Å; R210-L245 HydrophobicContact CG-CD1 4.43Å; L223-L245 HydrophobicContact CD2-CD2 4.2Å; A241-L245 PolarHBondContact O-N 3.06Å; V242-L245 WeakPolarHBondContact O-CB 3.47Å; V242-L245 PolarHBondContact O-N 3.39Å; V242-L245 VanDerWaalsContact O-N 3.11Å; I243-L245 VanDerWaalsContact C-N 3.29Å; I243-L245 PolarHBondContact O-N 3.48Å; L245-R247 VanDerWaalsContact C-N 3.3Å; L245-R247 PolarHBondContact O-N 2.92Å; L245-V248 PolarHBondContact O-N 2.64Å; L245-V248 VanDerWaalsContact O-N 3.13Å; L245-L249 HydrophobicContact CD1-CD1 4.21Å; L245-L249 HydrophobicContact CD1-CG 4.2Å; L245-L249 HydrophobicContact CD2-CD1 4.5Å; L245-L249 HydrophobicContact CG-CD1 3.89Å; L245-L249 HydrophobicContact CG-CG 4.34Å; L245-L249 WeakPolarHBondContact O-CG 3.42Å; L245-L249 PolarHBondContact O-N 3.29Å
246V98.4Very high97.1Very high0 Ų038.8 Ų38.80%022%0.218CC..Hα-helixtrans-57.8-43.1178.3171.20000111.1I227 V242 I243 V248 L249 M250 I258 L262 L390I227-V246 HydrophobicContact CD1-CG2 3.89Å; I227-V246 HydrophobicContact CG1-CG2 4.08Å; I227-V246 HydrophobicContact CG2-CG2 3.74Å; V242-V246 HydrophobicContact CG1-CG2 4.24Å; V242-V246 WeakPolarHBondContact O-CG2 3.35Å; V242-V246 PolarHBondContact O-N 3.38Å; I243-V246 WeakPolarHBondContact O-CB 3.36Å; I243-V246 PolarHBondContact O-N 2.58Å; I243-V246 VanDerWaalsContact O-N 3.11Å; V246-V248 VanDerWaalsContact C-N 3.29Å; V246-V248 PolarHBondContact O-N 3.33Å; V246-L249 WeakPolarHBondContact O-CA 3.24Å; V246-L249 WeakPolarHBondContact O-CB 3.39Å; V246-L249 PolarHBondContact O-N 2.66Å; V246-M250 HydrophobicContact CG1-CE 3.88Å; V246-M250 WeakPolarHBondContact O-CG 3.47Å; V246-M250 PolarHBondContact O-N 3.12Å; V246-M250 VanDerWaalsContact O-N 3.11Å; V246-I258 HydrophobicContact CG1-CG2 4.01Å; V246-L262 HydrophobicContact CG1-CD1 4.41Å; V246-L390 HydrophobicContact CG1-CD1 3.87Å; V246-L390 HydrophobicContact CG1-CD2 4.28Å
247R97.9Very high97.2Very high91 Ų9136 Ų3634%0.34320%0.204SC..Hα-helixtrans-54.6-43.6176-68.5173.879.8-165.86.4112.1I243 E244 L245 M250 I389 L390 D393I243-R247 WeakPolarHBondContact O-CG 3.27Å; I243-R247 PolarHBondContact O-N 3.18Å; E244-R247 WeakPolarHBondContact OE1-CD 3.34Å; E244-R247 IonicContact OE1-CZ 3.76Å; E244-R247 IonicContact OE1-NH1 4Å; E244-R247 PolarHBondContact OE1-NH1 2.88Å; E244-R247 IonicContact OE2-NH1 3.43Å; L245-R247 VanDerWaalsContact C-N 3.3Å; L245-R247 PolarHBondContact O-N 2.92Å; R247-M250 PolarHBondContact O-N 3.02Å; R247-I389 HydrophobicContact CG-CG2 4.44Å; R247-L390 HydrophobicContact CG-CD2 4.04Å; R247-D393 IonicContact CZ-OD1 3.66Å; R247-D393 IonicContact CZ-OD2 2.79Å; R247-D393 IonicContact NE-OD1 2.64Å; R247-D393 IonicContact NE-OD2 3.81Å; R247-D393 PolarHBondContact NE-OD2 3.11Å; R247-D393 IonicContact NH2-OD1 3.5Å; R247-D393 PolarHBondContact NH2-OD1 3.32Å; R247-D393 IonicContact NH2-OD2 3.87Å; R247-D393 PolarHBondContact NH2-OD2 2.68Å; R247-D393 VanDerWaalsContact NH2-OD2 3.11Å
248V97.2Very high97.3Very high42 Ų4232.3 Ų32.326%0.25519%0.187SC..Hα-helixtrans-66.2-39.9174.7173.50000111.5R210 Q213 L245 V246 M250 G251 F252R210-V248 HydrophobicContact CG-CB 4.28Å; R210-V248 HydrophobicContact CG-CG2 3.62Å; Q213-V248 HydrophobicContact CG-CG1 4.27Å; L245-V248 PolarHBondContact O-N 2.64Å; L245-V248 VanDerWaalsContact O-N 3.13Å; V246-V248 VanDerWaalsContact C-N 3.29Å; V246-V248 PolarHBondContact O-N 3.33Å; V248-M250 PolarHBondContact O-N 3.12Å; V248-G251 PolarHBondContact O-N 3.27Å; V248-F252 HydrophobicContact CG1-CE2 4.12Å; V248-F252 VanDerWaalsContact O-CD2 3.31Å; V248-F252 WeakPolarHBondContact O-CD2 3.31Å; V248-F252 WeakPolarHBondContact O-CE2 3.49Å
249L97.8Very high97.3Very high0 Ų032.3 Ų32.30%019%0.187CC..Hα-helixtrans-68.2-16.6-178.3-66.4172.1000114.1Q213 A219 L223 I227 L245 V246 G251 F252 I254 I258Q213-L249 HydrophobicContact CG-CD2 3.75Å; A219-L249 HydrophobicContact CB-CD2 3.74Å; L223-L249 HydrophobicContact CD1-CD1 4.01Å; L223-L249 HydrophobicContact CD1-CD2 4.01Å; I227-L249 HydrophobicContact CD1-CD1 3.63Å; L245-L249 HydrophobicContact CD1-CD1 4.21Å; L245-L249 HydrophobicContact CD1-CG 4.2Å; L245-L249 HydrophobicContact CD2-CD1 4.5Å; L245-L249 HydrophobicContact CG-CD1 3.89Å; L245-L249 HydrophobicContact CG-CG 4.34Å; L245-L249 WeakPolarHBondContact O-CG 3.42Å; L245-L249 PolarHBondContact O-N 3.29Å; V246-L249 WeakPolarHBondContact O-CA 3.24Å; V246-L249 WeakPolarHBondContact O-CB 3.39Å; V246-L249 PolarHBondContact O-N 2.66Å; L249-G251 PolarHBondContact O-N 2.71Å; L249-F252 HydrophobicContact CD2-CD2 4.43Å; L249-F252 WeakPolarHBondContact O-CB 3.26Å; L249-F252 PolarHBondContact O-N 3.18Å; L249-I254 HydrophobicContact CD1-CD1 4.4Å; L249-I254 HydrophobicContact CD2-CD1 4.18Å; L249-I258 HydrophobicContact CB-CD1 3.62Å; L249-I258 HydrophobicContact CD1-CD1 3.82Å; L249-I258 HydrophobicContact CG-CD1 4.35Å
250M97Very high97.3Very high28 Ų2835.6 Ų35.614%0.13820%0.203CC..THydrogen-bonded Turntrans-62.6-20.6173.7-62.8-59.289.700113.4V246 R247 V248 F252 V255 I258 L259 L390 I397V246-M250 HydrophobicContact CG1-CE 3.88Å; V246-M250 WeakPolarHBondContact O-CG 3.47Å; V246-M250 PolarHBondContact O-N 3.12Å; V246-M250 VanDerWaalsContact O-N 3.11Å; R247-M250 PolarHBondContact O-N 3.02Å; V248-M250 PolarHBondContact O-N 3.12Å; M250-F252 PolarHBondContact O-N 3.34Å; M250-V255 HydrophobicContact CE-CG2 4.06Å; M250-V255 HydrophobicContact SD-CG2 3.71Å; M250-I258 HydrophobicContact CE-CB 4.07Å; M250-I258 HydrophobicContact CE-CD1 4.04Å; M250-I258 HydrophobicContact CE-CG2 3.83Å; M250-L259 HydrophobicContact SD-CD2 4.07Å; M250-L259 HydrophobicContact SD-CG 4.47Å; M250-L390 HydrophobicContact CG-CD2 3.61Å; M250-L390 HydrophobicContact SD-CD1 3.83Å; M250-L390 HydrophobicContact SD-CD2 4.05Å; M250-I397 HydrophobicContact CB-CD1 4.45Å; M250-I397 HydrophobicContact SD-CD1 4.4Å; M250-I397 HydrophobicContact SD-CG2 4.38Å
251G95Very high97.3Very high70 Ų7033.2 Ų33.272%0.72219%0.188SC*.THydrogen-bonded Turntrans-80.13.9173.300000114.8V248 L249V248-G251 PolarHBondContact O-N 3.27Å; L249-G251 PolarHBondContact O-N 2.71Å
252F96.4Very high97.3Very high30 Ų3032.7 Ų32.713%0.13218%0.184CC..SBendtrans-118.8168.8-170.4-68.5-92.1000113.3Q213 R216 A219 V248 L249 M250 I254 V255Q213-F252 HydrophobicContact CG-CE2 3.97Å; Q213-F252 HydrophobicContact CG-CZ 3.97Å; Q213-F252 VanDerWaalsContact NE2-CD1 3.27Å; Q213-F252 WeakPolarHBondContact O-CZ 3.3Å; R216-F252 WeakPolarHBondContact O-CE1 3.18Å; R216-F252 WeakPolarHBondContact O-CZ 3.47Å; A219-F252 HydrophobicContact CB-CB 3.93Å; A219-F252 HydrophobicContact CB-CD1 4.2Å; A219-F252 HydrophobicContact CB-CG 4.1Å; V248-F252 HydrophobicContact CG1-CE2 4.12Å; V248-F252 VanDerWaalsContact O-CD2 3.31Å; V248-F252 WeakPolarHBondContact O-CD2 3.31Å; V248-F252 WeakPolarHBondContact O-CE2 3.49Å; L249-F252 HydrophobicContact CD2-CD2 4.43Å; L249-F252 WeakPolarHBondContact O-CB 3.26Å; L249-F252 PolarHBondContact O-N 3.18Å; M250-F252 PolarHBondContact O-N 3.34Å; F252-I254 HydrophobicContact CB-CG1 4.45Å; F252-I254 PolarHBondContact O-N 3.14Å; F252-V255 WeakPolarHBondContact O-CG1 3.48Å; F252-V255 PolarHBondContact O-N 2.88Å
253D93.5Very high97.2Very high96 Ų9632.9 Ų32.951%0.51319%0.185SC..THydrogen-bonded Turntrans-64.7-7.3-177.763-47.6000114.9A219A219-D253 PolarHBondContact N-OD1 2.97Å
254I96Very high97.1Very high0 Ų036.4 Ų36.40%021%0.207CC..THydrogen-bonded Turntrans-101.75.9-18066.8168.7000113.5A219 R221 I224 L249 F252 D256 D257 I258A219-I254 HydrophobicContact CB-CD1 3.41Å; A219-I254 VanDerWaalsContact CB-CD1 3.41Å; A219-I254 HydrophobicContact CB-CG1 3.72Å; A219-I254 HydrophobicContact CB-CG2 4.29Å; R221-I254 HydrophobicContact CG-CG2 3.76Å; I224-I254 HydrophobicContact CD1-CB 4.43Å; I224-I254 HydrophobicContact CG1-CD1 4.38Å; L249-I254 HydrophobicContact CD1-CD1 4.4Å; L249-I254 HydrophobicContact CD2-CD1 4.18Å; F252-I254 HydrophobicContact CB-CG1 4.45Å; F252-I254 PolarHBondContact O-N 3.14Å; I254-D256 VanDerWaalsContact C-N 3.35Å; I254-D256 PolarHBondContact O-N 3.37Å; I254-D257 PolarHBondContact O-N 3.49Å; I254-I258 HydrophobicContact CD1-CD1 3.65Å; I254-I258 HydrophobicContact CD1-CG1 4.24Å; I254-I258 HydrophobicContact CG1-CD1 3.76Å; I254-I258 HydrophobicContact CG1-CG1 4.32Å; I254-I258 WeakPolarHBondContact O-CG1 3.48Å; I254-I258 PolarHBondContact O-N 3.35Å
255V96.7Very high96.9Very high17 Ų1734.5 Ų34.510%0.10320%0.198CC..Hα-helixtrans-53.4-48.2-176.359.40000112.7M250 F252 D257 I258 L259 I397M250-V255 HydrophobicContact CE-CG2 4.06Å; M250-V255 HydrophobicContact SD-CG2 3.71Å; F252-V255 WeakPolarHBondContact O-CG1 3.48Å; F252-V255 PolarHBondContact O-N 2.88Å; V255-D257 VanDerWaalsContact C-N 3.34Å; V255-D257 PolarHBondContact O-N 3.05Å; V255-I258 PolarHBondContact O-N 3.38Å; V255-L259 HydrophobicContact CG2-CD1 4.09Å; V255-L259 HydrophobicContact CG2-CG 4.34Å; V255-L259 WeakPolarHBondContact O-CG 3.47Å; V255-L259 PolarHBondContact O-N 2.76Å; V255-I397 HydrophobicContact CG2-CD1 3.75Å
256D97.5Very high96.8Very high77 Ų7734.5 Ų34.541%0.41220%0.198SC..Hα-helixtrans-68.4-36.4-176.4-64.1-24.4000111.4I254 L259 M260 K400 M404I254-D256 VanDerWaalsContact C-N 3.35Å; I254-D256 PolarHBondContact O-N 3.37Å; D256-L259 PolarHBondContact O-N 3.21Å; D256-M260 PolarHBondContact O-N 3.46Å; D256-K400 IonicContact OD1-NZ 3.9Å; D256-K400 PolarHBondContact OD1-NZ 2.8Å; D256-K400 IonicContact OD2-NZ 2.84Å; D256-K400 PolarHBondContact OD2-NZ 3.12Å; D256-M404 WeakPolarHBondContact O-CE 3.3Å
257D97.7Very high96.5Very high65 Ų6539 Ų3935%0.34822%0.218SC..Hα-helixtrans-65.8-40.5176.2-64.1-40.7000111.2R221 I224 I254 V255 A261R221-D257 IonicContact CZ-OD2 2.67Å; R221-D257 IonicContact NH1-OD2 3.79Å; R221-D257 IonicContact NH2-OD2 3.35Å; R221-D257 PolarHBondContact NH2-OD2 3.15Å; I224-D257 HydrophobicContact CD1-CB 3.63Å; I254-D257 PolarHBondContact O-N 3.49Å; V255-D257 VanDerWaalsContact C-N 3.34Å; V255-D257 PolarHBondContact O-N 3.05Å; D257-A261 WeakPolarHBondContact O-CB 3.47Å; D257-A261 PolarHBondContact O-N 3.44Å
258I98.1Very high95.6Very high2 Ų235.5 Ų35.51%0.0121%0.207CC..Hα-helixtrans-66-47.1175.8-67.4172.7000110.9I224 I227 V246 L249 M250 I254 V255 M260 A261 L262I224-I258 HydrophobicContact CG1-CG1 4.05Å; I227-I258 HydrophobicContact CD1-CD1 4.18Å; I227-I258 HydrophobicContact CD1-CG1 4.47Å; V246-I258 HydrophobicContact CG1-CG2 4.01Å; L249-I258 HydrophobicContact CB-CD1 3.62Å; L249-I258 HydrophobicContact CD1-CD1 3.82Å; L249-I258 HydrophobicContact CG-CD1 4.35Å; M250-I258 HydrophobicContact CE-CB 4.07Å; M250-I258 HydrophobicContact CE-CD1 4.04Å; M250-I258 HydrophobicContact CE-CG2 3.83Å; I254-I258 HydrophobicContact CD1-CD1 3.65Å; I254-I258 HydrophobicContact CD1-CG1 4.24Å; I254-I258 HydrophobicContact CG1-CD1 3.76Å; I254-I258 HydrophobicContact CG1-CG1 4.32Å; I254-I258 WeakPolarHBondContact O-CG1 3.48Å; I254-I258 PolarHBondContact O-N 3.35Å; V255-I258 PolarHBondContact O-N 3.38Å; I258-M260 VanDerWaalsContact C-N 3.33Å; I258-M260 PolarHBondContact O-N 3.27Å; I258-A261 WeakPolarHBondContact O-CB 3.23Å; I258-A261 PolarHBondContact O-N 3.29Å; I258-L262 HydrophobicContact CG2-CD1 4Å; I258-L262 HydrophobicContact CG2-CG 4.3Å; I258-L262 WeakPolarHBondContact O-CG 3.37Å; I258-L262 PolarHBondContact O-N 3.28Å
259L98.2Very high94.4Very high0 Ų043.2 Ų43.20%024%0.24CC..Hα-helixtrans-61.1-43.5-179.4-69.2-179.6000111M250 V255 D256 A261 L262 I263 L387 L390 I397 K400 I401 M404M250-L259 HydrophobicContact SD-CD2 4.07Å; M250-L259 HydrophobicContact SD-CG 4.47Å; V255-L259 HydrophobicContact CG2-CD1 4.09Å; V255-L259 HydrophobicContact CG2-CG 4.34Å; V255-L259 WeakPolarHBondContact O-CG 3.47Å; V255-L259 PolarHBondContact O-N 2.76Å; D256-L259 PolarHBondContact O-N 3.21Å; L259-A261 VanDerWaalsContact C-N 3.34Å; L259-A261 PolarHBondContact O-N 3.04Å; L259-L262 PolarHBondContact O-N 3.29Å; L259-I263 WeakPolarHBondContact O-CB 3.39Å; L259-I263 VanDerWaalsContact O-CG1 3.26Å; L259-I263 WeakPolarHBondContact O-CG1 3.25Å; L259-I263 PolarHBondContact O-N 2.85Å; L259-L387 HydrophobicContact CD2-CD2 4.24Å; L259-L390 HydrophobicContact CD2-CD1 3.93Å; L259-I397 HydrophobicContact CD1-CG2 4.26Å; L259-I397 HydrophobicContact CD2-CG2 4.18Å; L259-K400 HydrophobicContact CD1-CB 4.04Å; L259-K400 HydrophobicContact CD1-CD 4.42Å; L259-I401 HydrophobicContact CD1-CG1 4.27Å; L259-I401 HydrophobicContact CD2-CD1 4.1Å; L259-I401 HydrophobicContact CD2-CG1 3.84Å; L259-M404 HydrophobicContact CB-CE 3.8Å; L259-M404 HydrophobicContact CB-SD 3.82Å; L259-M404 HydrophobicContact CD1-SD 4.06Å
260M97.4Very high92.9Very high82 Ų8246.7 Ų46.740%0.40426%0.256SS..Hα-helixtrans-61.9-41.1174.5-92.5-40.1-59.400112.5D256 I258 I263 T264 M404D256-M260 PolarHBondContact O-N 3.46Å; I258-M260 VanDerWaalsContact C-N 3.33Å; I258-M260 PolarHBondContact O-N 3.27Å; M260-I263 PolarHBondContact O-N 3.34Å; M260-T264 WeakPolarHBondContact O-CB 3.27Å; M260-T264 PolarHBondContact O-N 3.13Å; M260-T264 PolarHBondContact O-OG1 3.48Å; M260-M404 HydrophobicContact CB-CE 4.01Å; M260-M404 HydrophobicContact CG-CE 3.32Å; M260-M404 HydrophobicContact SD-CB 4.22Å; M260-M404 HydrophobicContact SD-CE 3.56Å; M260-M404 VanDerWaalsContact SD-CE 3.56Å
261A97Very high91.4Very high20 Ų2052.1 Ų52.117%0.16528%0.281CS..Hα-helixtrans-60.3-48.6176.400000110.9I224 V228 D257 I258 L259 I263 T264 L265I224-A261 HydrophobicContact CG2-CB 4.09Å; V228-A261 HydrophobicContact CG2-CB 3.87Å; D257-A261 WeakPolarHBondContact O-CB 3.47Å; D257-A261 PolarHBondContact O-N 3.44Å; I258-A261 WeakPolarHBondContact O-CB 3.23Å; I258-A261 PolarHBondContact O-N 3.29Å; L259-A261 VanDerWaalsContact C-N 3.34Å; L259-A261 PolarHBondContact O-N 3.04Å; A261-I263 PolarHBondContact O-N 3.44Å; A261-T264 PolarHBondContact O-N 3.03Å; A261-L265 WeakPolarHBondContact O-CG 3.32Å; A261-L265 PolarHBondContact O-N 2.9Å; A261-L265 VanDerWaalsContact O-N 3.11Å
262L97.9Very high90.1Very high0 Ų049.4 Ų49.40%025%0.25CS..Hα-helixtrans-60.7-43.3177.3-66.8173.3000112.4L231 V246 I258 L259 T264 L265 L266 A383 C386 L387 L390L231-L262 HydrophobicContact CD1-CD2 3.47Å; L231-L262 VanDerWaalsContact CD1-CD2 3.47Å; V246-L262 HydrophobicContact CG1-CD1 4.41Å; I258-L262 HydrophobicContact CG2-CD1 4Å; I258-L262 HydrophobicContact CG2-CG 4.3Å; I258-L262 WeakPolarHBondContact O-CG 3.37Å; I258-L262 PolarHBondContact O-N 3.28Å; L259-L262 PolarHBondContact O-N 3.29Å; L262-T264 VanDerWaalsContact C-N 3.29Å; L262-T264 PolarHBondContact O-N 2.93Å; L262-L265 WeakPolarHBondContact O-CB 3.25Å; L262-L265 PolarHBondContact O-N 3.36Å; L262-L266 PolarHBondContact O-N 3.02Å; L262-A383 HydrophobicContact CD2-CB 4.28Å; L262-C386 HydrophobicContact CD1-CB 4.36Å; L262-C386 HydrophobicContact CD2-CB 4.3Å; L262-L387 HydrophobicContact CB-CD1 4.27Å; L262-L387 HydrophobicContact CB-CD2 3.93Å; L262-L387 HydrophobicContact CB-CG 4.06Å; L262-L387 HydrophobicContact CD1-CD2 4.09Å; L262-L387 HydrophobicContact CD1-CG 4.44Å; L262-L390 HydrophobicContact CD1-CD1 4.01Å
263I96.7Very high88.8Confident3 Ų351.4 Ų51.42%0.01526%0.26CS..Hα-helixtrans-65.3-35.9178.6-69.3166.7000110.9L259 M260 A261 L265 L266 L387 M404 A406 N409L259-I263 WeakPolarHBondContact O-CB 3.39Å; L259-I263 VanDerWaalsContact O-CG1 3.26Å; L259-I263 WeakPolarHBondContact O-CG1 3.25Å; L259-I263 PolarHBondContact O-N 2.85Å; M260-I263 PolarHBondContact O-N 3.34Å; A261-I263 PolarHBondContact O-N 3.44Å; I263-L265 VanDerWaalsContact C-N 3.31Å; I263-L265 PolarHBondContact O-N 3.13Å; I263-L266 WeakPolarHBondContact O-CB 3.35Å; I263-L266 PolarHBondContact O-N 3.32Å; I263-L387 HydrophobicContact CG1-CD1 4.18Å; I263-L387 HydrophobicContact CG1-CD2 4.34Å; I263-M404 HydrophobicContact CD1-CB 3.47Å; I263-M404 VanDerWaalsContact CD1-CB 3.47Å; I263-A406 HydrophobicContact CD1-CB 3.99Å; I263-A406 HydrophobicContact CG1-CB 3.96Å; I263-N409 WeakPolarHBondContact CG2-ND2 3.4Å; I263-N409 PolarHBondContact O-ND2 3.38Å
264T95.2Very high87.4Confident81 Ų8147.4 Ų47.450%0.49724%0.238SC..Hα-helixtrans-67.2-34.9177.4-54.80000111.4M260 A261 L262 L266 K267M260-T264 WeakPolarHBondContact O-CB 3.27Å; M260-T264 PolarHBondContact O-N 3.13Å; M260-T264 PolarHBondContact O-OG1 3.48Å; A261-T264 PolarHBondContact O-N 3.03Å; L262-T264 VanDerWaalsContact C-N 3.29Å; L262-T264 PolarHBondContact O-N 2.93Å; T264-L266 PolarHBondContact O-N 3.35Å; T264-K267 CarbonylContact O-C 3.59Å; T264-K267 PolarHBondContact O-N 2.87Å; T264-K267 VanDerWaalsContact O-N 3.15Å
265L95.2Very high85.5Confident21 Ų2149.8 Ų49.811%0.1126%0.263CS..Hα-helixtrans-65.8-21.1176.2-69.3176.7000113.6V228 L231 A261 L262 I263 K267 Q379 A383V228-L265 HydrophobicContact CG1-CD1 4.3Å; V228-L265 HydrophobicContact CG1-CD2 4.09Å; V228-L265 HydrophobicContact CG2-CD1 4.27Å; L231-L265 HydrophobicContact CD1-CD1 4.03Å; A261-L265 WeakPolarHBondContact O-CG 3.32Å; A261-L265 PolarHBondContact O-N 2.9Å; A261-L265 VanDerWaalsContact O-N 3.11Å; L262-L265 WeakPolarHBondContact O-CB 3.25Å; L262-L265 PolarHBondContact O-N 3.36Å; I263-L265 VanDerWaalsContact C-N 3.31Å; I263-L265 PolarHBondContact O-N 3.13Å; L265-K267 PolarHBondContact O-N 2.99Å; L265-Q379 HydrophobicContact CD1-CG 3.84Å; L265-Q379 HydrophobicContact CD2-CG 3.79Å; L265-Q379 VanDerWaalsContact CD2-OE1 3.28Å; L265-Q379 HydrophobicContact CG-CG 4.26Å; L265-A383 HydrophobicContact CB-CB 3.73Å; L265-A383 HydrophobicContact CD1-CB 4.23Å
266L96Very high83.8Confident0 Ų054.8 Ų54.80%028%0.283CS..THydrogen-bonded Turntrans-68.3-19.6175.1-67.7178.3000113.1L262 I263 T264 Q380 A383 A384 L387 N409 L410 A413L262-L266 PolarHBondContact O-N 3.02Å; I263-L266 WeakPolarHBondContact O-CB 3.35Å; I263-L266 PolarHBondContact O-N 3.32Å; T264-L266 PolarHBondContact O-N 3.35Å; L266-Q380 PolarHBondContact O-NE2 3.2Å; L266-A383 HydrophobicContact CD2-CB 4.4Å; L266-A384 HydrophobicContact CD2-CB 3.65Å; L266-L387 HydrophobicContact CD1-CD1 3.57Å; L266-L387 HydrophobicContact CD2-CD1 4.47Å; L266-L387 HydrophobicContact CG-CD1 4.07Å; L266-N409 HydrophobicContact CB-CB 3.55Å; L266-N409 HydrophobicContact CD1-CB 3.96Å; L266-N409 HydrophobicContact CG-CB 4.44Å; L266-L410 HydrophobicContact CD1-CD2 3.59Å; L266-L410 HydrophobicContact CD1-CG 3.72Å; L266-L410 HydrophobicContact CD2-CD2 4.04Å; L266-L410 HydrophobicContact CG-CD2 4.48Å; L266-A413 HydrophobicContact CD2-CB 4.33Å
267K91.3Very high81.9Confident95 Ų9554.1 Ų54.141%0.41328%0.28SS..SBendtrans-127.282.6177.9-169.4170-175.8170.60110T264 L265 Y412T264-K267 CarbonylContact O-C 3.59Å; T264-K267 PolarHBondContact O-N 2.87Å; T264-K267 VanDerWaalsContact O-N 3.15Å; L265-K267 PolarHBondContact O-N 2.99Å; K267-Y412 HydrophobicContact CB-CD1 4.24Å; K267-Y412 HydrophobicContact CB-CE1 4.48Å; K267-Y412 HydrophobicContact CD-CD2 4.1Å; K267-Y412 HydrophobicContact CD-CE2 4.26Å; K267-Y412 HydrophobicContact CD-CG 4.33Å; K267-Y412 HydrophobicContact CG-CD1 3.97Å; K267-Y412 HydrophobicContact CG-CD2 4.16Å; K267-Y412 HydrophobicContact CG-CE1 3.93Å; K267-Y412 HydrophobicContact CG-CE2 4.1Å; K267-Y412 HydrophobicContact CG-CG 4.11Å
268P80.5Confident80.1Confident17 Ų1755.1 Ų55.111%0.1128%0.281CS..  trans-60.9154-177.623.6-32.3000112.1H270 V376 F377P268-H270 PolarHBondContact O-N 2.93Å; P268-V376 HydrophobicContact CB-CB 4.11Å; P268-V376 HydrophobicContact CB-CG2 4.41Å; P268-F377 HydrophobicContact CG-CD1 4.3Å; P268-F377 HydrophobicContact CG-CE1 4.09Å
269Q72.1Confident78.2Confident204 Ų20459.1 Ų59.195%0.95331%0.306SS*.SBendtrans-64.7-27178.3-68.9-174.7-800112.9E271Q269-E271 PolarHBondContact O-N 2.92Å
270H66.2Low76Confident73 Ų7365 Ų6534%0.33833%0.333SS..SBendtrans-77.7104.3167.4-174.9-77.7000107.8P268 Q273P268-H270 PolarHBondContact O-N 2.93Å; H270-Q273 PolarHBondContact CE1-NE2 2.82Å; H270-Q273 PolarHBondContact NE2-NE2 3.43Å
271E64.5Low73.8Confident142 Ų14265.8 Ų65.866%0.66434%0.342SS*.  trans-60.7139.9175.7-73-174.2159.900110.5Q269 Q273 Y412Q269-E271 PolarHBondContact O-N 2.92Å; E271-Q273 PolarHBondContact O-N 3.23Å; E271-Y412 WeakPolarHBondContact CA-OH 3.38Å
272I67.6Low71.5Confident13 Ų1369.2 Ų69.27%0.06736%0.362CS..  trans-57.3121.3175-61.5161.6000108.5L274 F377 Y412 N416 E418 V476I272-L274 VanDerWaalsContact C-N 3.32Å; I272-L274 HydrophobicContact CG2-CG 4.13Å; I272-L274 PolarHBondContact O-N 3.3Å; I272-F377 HydrophobicContact CG1-CE1 4.47Å; I272-Y412 HydrophobicContact CD1-CD1 3.8Å; I272-Y412 HydrophobicContact CD1-CE1 3.24Å; I272-Y412 HydrophobicContact CD1-CE2 4.4Å; I272-Y412 HydrophobicContact CG1-CE1 3.79Å; I272-Y412 PolarHBondContact N-OH 3.01Å; I272-Y412 VanDerWaalsContact N-OH 3.11Å; I272-N416 HydrophobicContact CD1-CB 3.66Å; I272-N416 HydrophobicContact CG1-CB 4.31Å; I272-E418 VanDerWaalsContact CA-OE2 3.3Å; I272-E418 WeakPolarHBondContact CA-OE2 3.21Å; I272-E418 HydrophobicContact CG2-CG 4.37Å; I272-V476 HydrophobicContact CD1-CG2 3.77Å
273Q68.5Low69.3Low72 Ų7272.7 Ų72.734%0.33639%0.386SS..  trans-88.266.8-173.6-66.6-17419.800112.2H270 E271 G275 K276 E418H270-Q273 PolarHBondContact CE1-NE2 2.82Å; H270-Q273 PolarHBondContact NE2-NE2 3.43Å; E271-Q273 PolarHBondContact O-N 3.23Å; Q273-G275 PolarHBondContact O-N 3.26Å; Q273-K276 HydrophobicContact CB-CD 4.4Å; Q273-K276 PolarHBondContact O-N 3.41Å; Q273-E418 PolarHBondContact N-OE2 3.15Å
274L64.7Low66.8Low11 Ų1179.3 Ų79.36%0.05842%0.421CS..Hα-helixtrans-58.6-31.5176.5-78.7156.4000113.3I272 K276 L277 F278 L417 A472 D473 V476I272-L274 VanDerWaalsContact C-N 3.32Å; I272-L274 HydrophobicContact CG2-CG 4.13Å; I272-L274 PolarHBondContact O-N 3.3Å; L274-K276 PolarHBondContact O-N 3.44Å; L274-K276 VanDerWaalsContact O-N 3.16Å; L274-L277 PolarHBondContact O-N 3.22Å; L274-L277 VanDerWaalsContact O-N 3.1Å; L274-F278 HydrophobicContact CB-CE2 4.15Å; L274-F278 VanDerWaalsContact O-CD2 3.3Å; L274-F278 WeakPolarHBondContact O-CD2 3.21Å; L274-F278 PolarHBondContact O-N 3.44Å; L274-L417 HydrophobicContact CD2-CD1 3.72Å; L274-L417 HydrophobicContact CD2-CG 4.12Å; L274-A472 HydrophobicContact CD2-CB 3.72Å; L274-D473 HydrophobicContact CD1-CB 4.29Å; L274-V476 HydrophobicContact CD1-CB 3.87Å; L274-V476 HydrophobicContact CD1-CG1 4.04Å; L274-V476 HydrophobicContact CD1-CG2 3.86Å
275G56.2Low64.5Low51 Ų5182.2 Ų82.253%0.52643%0.433SS..Hα-helixtrans-58.5-28.4-17600000115.1Q273 T279Q273-G275 PolarHBondContact O-N 3.26Å; G275-T279 PolarHBondContact O-N 3.17Å; G275-T279 PolarHBondContact O-OG1 3.08Å
276K60.5Low61.9Low121 Ų12187.8 Ų87.853%0.52646%0.464SS..Hα-helixtrans-69.1-36.3177.6-73.2175.5169.9168.60112.4Q273 L274 T279 E280Q273-K276 HydrophobicContact CB-CD 4.4Å; Q273-K276 PolarHBondContact O-N 3.41Å; L274-K276 PolarHBondContact O-N 3.44Å; L274-K276 VanDerWaalsContact O-N 3.16Å; K276-T279 PolarHBondContact O-N 3.31Å; K276-T279 PolarHBondContact O-OG1 2.67Å; K276-E280 PolarHBondContact O-N 3.07Å
277L59.1Low59Low63 Ų6395.1 Ų95.133%0.3350%0.503SS..Hα-helixtrans-72.5-34.7177.6-89.387.6000112.1L274 T279 E280 V281 L417L274-L277 PolarHBondContact O-N 3.22Å; L274-L277 VanDerWaalsContact O-N 3.1Å; L277-T279 PolarHBondContact O-N 2.89Å; L277-E280 PolarHBondContact O-N 3.47Å; L277-V281 WeakPolarHBondContact O-CG2 3.42Å; L277-V281 PolarHBondContact O-N 2.98Å; L277-L417 HydrophobicContact CD2-CD1 4.12Å
278F59.8Low56.6Low86 Ų8698.1 Ų98.138%0.37752%0.523SS..Hα-helixtrans-64.1-30.9175.7-73.2-72.3000112.4L274 P469 D473L274-F278 HydrophobicContact CB-CE2 4.15Å; L274-F278 VanDerWaalsContact O-CD2 3.3Å; L274-F278 WeakPolarHBondContact O-CD2 3.21Å; L274-F278 PolarHBondContact O-N 3.44Å; F278-P469 HydrophobicContact CD1-CB 4.19Å; F278-P469 HydrophobicContact CE1-CB 3.6Å; F278-P469 HydrophobicContact CE2-CB 4.13Å; F278-P469 HydrophobicContact CZ-CB 3.57Å; F278-P469 WeakPolarHBondContact CZ-O 3.44Å; F278-D473 HydrophobicContact CZ-CB 4.45Å
279T56.6Low54.4Low86 Ų86105.7 Ų105.753%0.52856%0.557SS.*Hα-helixtrans-76.2-36.1176.645.20000113.3G275 K276 L277 V281 T282 S283G275-T279 PolarHBondContact O-N 3.17Å; G275-T279 PolarHBondContact O-OG1 3.08Å; K276-T279 PolarHBondContact O-N 3.31Å; K276-T279 PolarHBondContact O-OG1 2.67Å; L277-T279 PolarHBondContact O-N 2.89Å; T279-V281 PolarHBondContact O-N 2.96Å; T279-T282 PolarHBondContact O-N 3.43Å; T279-T282 PolarHBondContact O-OG1 2.94Å; T279-S283 PolarHBondContact O-N 2.9Å; T279-S283 PolarHBondContact O-OG 2.84Å
280E53.1Low52.9Low124 Ų124104.2 Ų104.258%0.57955%0.554SS**Hα-helixtrans-66.4-36.7179.4-76.8173.4178.800112.4K276 L277 T282 S283K276-E280 PolarHBondContact O-N 3.07Å; L277-E280 PolarHBondContact O-N 3.47Å; E280-T282 PolarHBondContact O-N 3.26Å; E280-S283 WeakPolarHBondContact CA-OG 3.48Å; E280-S283 PolarHBondContact O-N 3.41Å; E280-S283 PolarHBondContact O-OG 3.23Å
281V50.2Low51.4Low98 Ų98105.6 Ų105.659%0.59457%0.572SS**Hα-helixtrans-68.5-24.1177.1-178.30000112.2L277 T279L277-V281 WeakPolarHBondContact O-CG2 3.42Å; L277-V281 PolarHBondContact O-N 2.98Å; T279-V281 PolarHBondContact O-N 2.96Å
282T50.5Low50.1Low93 Ų93104.2 Ų104.257%0.57158%0.578SS**Hα-helixtrans-88.2-15.1179.2580000114.5T279 E280T279-T282 PolarHBondContact O-N 3.43Å; T279-T282 PolarHBondContact O-OG1 2.94Å; E280-T282 PolarHBondContact O-N 3.26Å
283S49.8Very low48.7Very low73 Ų73109.1 Ų109.151%0.5161%0.611SS.*Hα-helixtrans-82.2-20.9179.730.20000114T279 E280 D285T279-S283 PolarHBondContact O-N 2.9Å; T279-S283 PolarHBondContact O-OG 2.84Å; E280-S283 WeakPolarHBondContact CA-OG 3.48Å; E280-S283 PolarHBondContact O-N 3.41Å; E280-S283 PolarHBondContact O-OG 3.23Å; S283-D285 VanDerWaalsContact C-N 3.31Å; S283-D285 PolarHBondContact O-N 3.1Å
284D45.9Very low47Very low142 Ų142113.1 Ų113.176%0.75963%0.629SS**THydrogen-bonded Turntrans-81.6-5.5-178.6-77.5-9000113.8
285D45.7Very low45.6Very low141 Ų141121.1 Ų121.175%0.75467%0.668SS**THydrogen-bonded Turntrans-105.612-175.2-87.4-18.5000114.8S283S283-D285 VanDerWaalsContact C-N 3.31Å; S283-D285 PolarHBondContact O-N 3.1Å
286N40.7Very low44.4Very low139 Ų139124.7 Ų124.774%0.74368%0.675SS**  trans-126.427.8-178.8-76.7-57.2000115.6
287D35.8Very low43.3Very low153 Ų153124.7 Ų124.782%0.81869%0.691SS**  trans-107.870.6168.5-78.7-25.4000110.6
288D40.1Very low42.2Very low159 Ų159128.5 Ų128.585%0.8571%0.711SS**  trans-140.5115.6160.6-97.2-31.7000111.5
289E35.7Very low40.9Very low175 Ų175132.1 Ų132.182%0.81873%0.729SS**  trans4.7128.1165-68.2-177.5133.400120.4
290I38.8Very low39.7Very low173 Ų173135.1 Ų135.189%0.88774%0.738SS**  -148.8116.1107.6-88.1147.9000108.5
291S36.1Very low38.6Very low102 Ų102139.9 Ų139.971%0.71375%0.75SS**  trans-92.2153170.1-82.90000112.1
292S35.8Very low37.8Very low114 Ų114146 Ų14680%0.79776%0.764SS**  trans108.8151.5146.677.40000118.5
293P39.7Very low37.4Very low115 Ų115147.1 Ų147.175%0.74777%0.773SS**  cis-141.5161.1-3834.4-15.9000116.2
294H31.2Very low36.6Very low157 Ų157149.4 Ų149.473%0.72779%0.789SS**  trans6.8135.8150.6-99.5-66.3000122.6
295M36.9Very low36.2Very low179 Ų179151.4 Ų151.488%0.88279%0.794SS**  -163.8102.1123.3-77.1-51.616800108.1
296D30.6Very low35.8Very low126 Ų126150.8 Ų150.867%0.67480%0.797SS**  63.4108.395.5-99.74.1000117.5
297S38Very low35.6Very low121 Ų121148.5 Ų148.585%0.84680%0.798SS**  -172.1125.1124.740.60000112.8
298N34.5Very low35.7Very low142 Ų142147 Ų14776%0.75980%0.796SS**  trans-54.3172.7166.5-63.8-28.9000112.5
299E33.3Very low35.4Very low162 Ų162147.9 Ų147.976%0.75780%0.8SS**  cis-173.5149.222.1-141.7164-15900108.5
300E30.4Very low35.2Very low150 Ų150143 Ų14370%0.70180%0.796SS**  trans46.3136144.7-77.8-168.4-173.800126.5
301R31.2Very low35Very low224 Ų224140.1 Ų140.185%0.84579%0.792SS**  trans109.9109.3139.3-87.9174.9-151.6-156.12.3121.1
302Y32.1Very low35Very low225 Ų225146.8 Ų146.888%0.88280%0.801SS**  trans-62.9-176.4154.5-75.5-80.5000113.6
303P42.3Very low34.7Very low117 Ų117149 Ų14976%0.7680%0.804SS**  cis-135.5175.2-16.420.83.5000114.2
304S34.8Very low34.5Very low121 Ų121151.6 Ų151.685%0.84681%0.81SS**  trans-154.1128.6147.843.20000113.6
305H35.9Very low34.5Very low185 Ų185149.4 Ų149.486%0.85681%0.812SS**  trans-113.2154.5159.8-95.9-47.8000106.6
306P38Very low34.2Very low128 Ų128144.3 Ų144.383%0.83181%0.806SS**  -154.7163.687.735.1-12.8000117.2
307A35.6Very low34.3Very low91 Ų91145.9 Ų145.975%0.75281%0.812SS**  trans-80.3174.2174.500000113.7
308P38.7Very low34.1Very low120 Ų120145 Ų14578%0.77980%0.804SS**  -153.7142.5106.335.2-15.1000119.4
309L32.9Very low33.7Very low179 Ų179147.2 Ų147.294%0.93781%0.809SS**  trans34.2133.2134.6-67.3162.5000125.6
310G31.7Very low33.6Very low71 Ų71148.6 Ų148.673%0.73282%0.818SS**  trans117.8118.114700000114.1
311S34.7Very low33.6Very low114 Ų114150.6 Ų150.680%0.79783%0.825SS**  cis-172.6149.747.8-80.40000113.8
312R36.1Very low33.5Very low241 Ų241146.1 Ų146.191%0.90983%0.825SS**  trans77110.2144.9-73.2175.7-170.5-178.13.2122.1
313N30.3Very low33.4Very low161 Ų161147 Ų14786%0.86183%0.826SS**  trans-70.3141.1151.1-78.7-29.2000112.2
314I36.2Very low32.7Very low170 Ų170146.6 Ų146.687%0.87283%0.826SS**  trans-140.9134.9138.7-62.5-172.6000108.7
315S31.3Very low32.4Very low111 Ų111150.2 Ų150.278%0.77683%0.832SS**  trans-70153.3-175.252.20000116.8
316G30.4Very low32.1Very low72 Ų72145.8 Ų145.874%0.74282%0.822SS**  trans167.567.4159.500000118.1
317I32.1Very low31.6Very low158 Ų158146.9 Ų146.981%0.8182%0.821SS**  22.3145.4129.9-54.9179.6000118.6
318P33.4Very low31.3Very low103 Ų103149.3 Ų149.367%0.66983%0.827SS**  cis-149-174.7-3844.4-22.7000114.5
319E27.2Very low30.8Very low188 Ų188153.6 Ų153.688%0.87983%0.833SS**  trans-17.9130.1161.6-64.7167.9139.500119.3
320M30.1Very low30.6Very low192 Ų192150.6 Ų150.695%0.94683%0.827SS**PPolyproline II helixtrans-87.9118.3167.5-71.1-166.8122.200111.7
321K31.3Very low30.5Very low192 Ų192153.9 Ų153.984%0.83583%0.833SS**PPolyproline II helixtrans-79.1151.7162.5-79176.6175.7174.60111.2
322P29.2Very low30.2Very low130 Ų130158.1 Ų158.184%0.84484%0.837SS**PPolyproline II helixtrans-70.3140.9173.2-12.828000112.3
323R29.8Very low29.8Very low243 Ų243154.6 Ų154.692%0.91784%0.836SS**PPolyproline II helixtrans-65.5127.9-175.3-74174.8170.2-177.4-3.3112.8
324S27.4Very low29.7Very low109 Ų109153.7 Ų153.776%0.76283%0.83SS**PPolyproline II helixtrans-74.7125.6157.757.90000110.4
325M28.8Very low29.4Very low196 Ų196150.6 Ų150.697%0.96682%0.82SS**PPolyproline II helixtrans-87.4122.6156.2-73.9-153-73.700108.7
326S28.5Very low29.2Very low93 Ų93154 Ų15465%0.6582%0.82SS**  trans-109.2151.8172.4550000110.7
327N28Very low29.2Very low150 Ų150159.9 Ų159.980%0.80282%0.822SS**  trans9284.7159.1-59.6-15.8000118.3
328T30.3Very low29.1Very low142 Ų142158 Ų15887%0.87182%0.82SS**  -121132.4127.536.60000109.8S330T328-S330 PolarHBondContact O-N 2.99Å
329K26.8Very low29.1Very low210 Ų210159 Ų15991%0.91383%0.829SS**  trans-62.6122.7-169.1-68.4166.7175.1174.20111.2
330S29.6Very low29.1Very low117 Ų117156.2 Ų156.282%0.81883%0.825SS**  trans-109.3112.7158.8-74.20000109.1T328 K332T328-S330 PolarHBondContact O-N 2.99Å; S330-K332 PolarHBondContact O-N 3.46Å
331T28.5Very low29.2Very low139 Ų139152.6 Ų152.685%0.85382%0.817SS**  trans-59.6110171.2-1.60000109.1L333T331-L333 PolarHBondContact O-N 2.95Å
332K29.1Very low29.2Very low204 Ų204148.4 Ų148.489%0.88782%0.818SS**  trans-72.8105.3166.8-76.2-176.8176.8-179.40108.6S330 N334S330-K332 PolarHBondContact O-N 3.46Å; K332-N334 PolarHBondContact O-N 2.95Å
333L28.5Very low29.1Very low167 Ų167150.4 Ų150.487%0.87482%0.822SS**  trans-72.2116.1158-86.5157.3000107.9T331 V335T331-L333 PolarHBondContact O-N 2.95Å; L333-V335 PolarHBondContact O-N 3.4Å
334N27.5Very low29.1Very low141 Ų141142.6 Ų142.675%0.75482%0.817SS**  trans-88.799.3-177.4-164.517.8000108.4K332K332-N334 PolarHBondContact O-N 2.95Å
335V29.3Very low29.2Very low106 Ų106145.1 Ų145.164%0.64282%0.822SS**  trans-92.7103.5168.7-179.10000107.9L333 Y337L333-V335 PolarHBondContact O-N 3.4Å; V335-Y337 HydrophobicContact CG1-CD2 4.27Å; V335-Y337 HydrophobicContact CG1-CE2 3.79Å
336K28.4Very low29.1Very low183 Ų183140.1 Ų140.180%0.79681%0.806SS**PPolyproline II helixtrans-82.4117.4174.9-126.8177.8-178.5-179.30108.2
337Y30.3Very low29.2Very low195 Ų195142.7 Ų142.777%0.76581%0.813SS**PPolyproline II helixtrans-97.2129.9160.4-71.1-80.4000108.9V335V335-Y337 HydrophobicContact CG1-CD2 4.27Å; V335-Y337 HydrophobicContact CG1-CE2 3.79Å
338P28.4Very low29.1Very low119 Ų119143.9 Ų143.977%0.77381%0.811SS**PPolyproline II helixtrans-85129.1171.831.7-28.4000110
339S34.2Very low28.9Very low123 Ų123143.5 Ų143.586%0.8681%0.808SS**  trans-114.3109.8167.9-53.70000108.9
340T27.9Very low29Very low129 Ų129142.8 Ų142.879%0.79181%0.808SS**  trans-102.6125.1160.8-10.80000104.1
341C32Very low28.7Very low117 Ų117146.8 Ų146.879%0.79181%0.811SS**  -176.9127.683.9-69.20000105.3
342A31.3Very low28.7Very low103 Ų103148.7 Ų148.785%0.85181%0.812SS**  110.1137.684.200000111.5
343N26.5Very low28.7Very low173 Ų173144.5 Ų144.593%0.92580%0.803SS**  trans-56.5152.1-168.8-77.8-23.5000117.1
344G29.4Very low28.7Very low78 Ų78146.8 Ų146.880%0.80481%0.806SS**  trans-162.5115.6154.800000110.6
345N30.2Very low28.7Very low162 Ų162148.2 Ų148.287%0.86681%0.806SS**  trans-72.4147.1-171.3-109.8-7.1000114.2
346S27.2Very low28.6Very low91 Ų91152.3 Ų152.364%0.63682%0.815SS**  trans8.1129.9147.659.90000120
347D29.4Very low28.6Very low148 Ų148150.8 Ų150.879%0.79181%0.81SS**  -163.6160.3104.2-122.4-32.1000114.8
348K26Very low28.3Very low175 Ų175150.5 Ų150.576%0.76181%0.808SS**  trans-68.7141.2-169.4-60.7157.9179.2165.50113.8
349T26.7Very low28.4Very low133 Ų133153.1 Ų153.182%0.81681%0.809SS**  158.8118.5117.532.60000110.3
350E28.4Very low28Very low196 Ų196152.9 Ų152.992%0.91680%0.795SS**  -180127.9122.7-102.8179.7163.300111.4
351K24.4Very low28.1Very low200 Ų200152.9 Ų152.987%0.8780%0.8SS**  trans-75.1132.4164.8-67.9168.3174.9173.40106.7
352M27.7Very low28Very low179 Ų179155 Ų15588%0.88280%0.798SS**  trans177.7136.3131-99.8166.29100112.9
353V29.8Very low27.8Very low116 Ų116153.7 Ų153.770%0.70380%0.795SS**  trans70.484.2160.4-168.20000117.7K355V353-K355 HydrophobicContact CG1-CB 4.15Å; V353-K355 PolarHBondContact O-N 3.49Å
354K27.1Very low27.8Very low216 Ų216150.6 Ų150.694%0.93979%0.787SS**  trans-81.894.8148.8-80.7-178.5176.5176.50108.7
355K29Very low27.7Very low171 Ų171154.7 Ų154.774%0.74379%0.791SS**  trans-87.5109.3164.4-144.9174.7-174.7-179.50108.2V353 H357V353-K355 HydrophobicContact CG1-CB 4.15Å; V353-K355 PolarHBondContact O-N 3.49Å; K355-H357 PolarHBondContact O-N 2.92Å
356K25.5Very low27.9Very low192 Ų192151.9 Ų151.984%0.83578%0.784SS**  trans-63.7112.1170.3-118.8173.9175.8175.50107.9
357H28.6Very low28.1Very low150 Ų150156.7 Ų156.769%0.69480%0.796SS**  trans-109.197.3155.1-88.9-50.2000108.9K355K355-H357 PolarHBondContact O-N 2.92Å
358R25.6Very low28.4Very low189 Ų189156.9 Ų156.971%0.71379%0.79SS**  trans-89.296.7164.5-178.6179.7172.1-174.2-2.5105Q360R358-Q360 VanDerWaalsContact C-N 3.32Å; R358-Q360 PolarHBondContact O-N 3.31Å; R358-Q360 VanDerWaalsContact O-N 3.12Å
359H29.3Very low28.9Very low174 Ų174153.4 Ų153.481%0.80678%0.78SS**  trans-77.393.6164.7-86.5-65.4000107.8
360Q27.1Very low29.8Very low119 Ų119150.1 Ų150.156%0.55677%0.772SS**  trans-68.4113.8147.8-90.2167.6-34.600106.5R358 Q362R358-Q360 VanDerWaalsContact C-N 3.32Å; R358-Q360 PolarHBondContact O-N 3.31Å; R358-Q360 VanDerWaalsContact O-N 3.12Å; Q360-Q362 VanDerWaalsContact C-N 3.28Å; Q360-Q362 PolarHBondContact O-N 3.26Å
361S28.6Very low30.9Very low128 Ų128147.9 Ų147.990%0.89577%0.767SS**  trans-76.690.5157.5-176.50000106
362Q29.9Very low32.5Very low161 Ų161144 Ų14475%0.75275%0.752SS**  trans-70143.7163.4-81.3178.2-64.100108.6Q360Q360-Q362 VanDerWaalsContact C-N 3.28Å; Q360-Q362 PolarHBondContact O-N 3.26Å
363G26.8Very low34.2Very low77 Ų77138 Ų13879%0.79473%0.726SS**  trans-55.3136.1175.900000111.5
364S27.9Very low36.5Very low108 Ų108135.4 Ų135.476%0.75571%0.708SS**  trans-100.192.1153.943.20000105.4S366S364-S366 PolarHBondContact O-N 2.87Å
365D26.5Very low39.2Very low164 Ų164127.9 Ų127.988%0.87768%0.682SS**  trans-59.894.4149.5-74.4-38.8000104.9E367D365-E367 PolarHBondContact O-N 3.49Å; D365-E367 VanDerWaalsContact O-N 3.14Å
366S34.5Very low42.1Very low103 Ų103121.7 Ų121.772%0.7266%0.658SS**  trans-66.7108.9169.150.60000106.5S364 F368S364-S366 PolarHBondContact O-N 2.87Å; S366-F368 PolarHBondContact O-N 3.19Å; S366-F368 VanDerWaalsContact O-N 3.09Å
367E31.3Very low45.3Very low192 Ų192112.6 Ų112.690%0.89762%0.619SS**  trans-44.1117.9159.7-73.9173.9149.800107.7D365 D369D365-E367 PolarHBondContact O-N 3.49Å; D365-E367 VanDerWaalsContact O-N 3.14Å; E367-D369 PolarHBondContact O-N 3.28Å
368F35.6Very low48.4Very low151 Ų151106 Ų10666%0.66259%0.589SS**  trans-61.8103.9179.4-172.8-95.8000107.7S366 G370 L374S366-F368 PolarHBondContact O-N 3.19Å; S366-F368 VanDerWaalsContact O-N 3.09Å; F368-G370 PolarHBondContact O-N 3.26Å; F368-L374 HydrophobicContact CZ-CD2 4.3Å; F368-L374 HydrophobicContact CZ-CG 4.33Å
369D35.9Very low51.6Low103 Ų10397.9 Ų97.955%0.55156%0.559SS**  trans-60.5105.8169.6-177.918.4000107.4E367 N371 Q372E367-D369 PolarHBondContact O-N 3.28Å; D369-N371 PolarHBondContact O-N 3.33Å; D369-Q372 PolarHBondContact O-N 3.14Å
370G46.3Very low54.8Low63 Ų6389.6 Ų89.665%0.64952%0.521SS*.THydrogen-bonded Turntrans-63.88.4-171.100000115.6F368F368-G370 PolarHBondContact O-N 3.26Å
371N52.8Low58.1Low150 Ų15084 Ų8480%0.80250%0.495SS*.THydrogen-bonded Turntrans-108.8-4.6-179.3-93.7-2.4000114.8D369D369-N371 PolarHBondContact O-N 3.33Å
372Q57.9Low61.4Low119 Ų11978 Ų7856%0.55645%0.453SS*.SBendtrans-89.4129.5174.9-71.2-176.719.100110.7D369 L374D369-Q372 PolarHBondContact O-N 3.14Å; Q372-L374 PolarHBondContact O-N 3.05Å
373P62.8Low64.6Low53 Ų5370.3 Ų70.334%0.34442%0.417SS..PPolyproline II helixtrans-60.5135.4177.826.3-33.3000109.1L234 S375 V378 F419L234-P373 HydrophobicContact CD2-CG 4.43Å; P373-S375 PolarHBondContact O-N 3.37Å; P373-V378 HydrophobicContact CB-CG2 3.94Å; P373-V378 HydrophobicContact CG-CG2 3.79Å; P373-F419 HydrophobicContact CB-CD2 3.74Å; P373-F419 HydrophobicContact CB-CE2 3.49Å; P373-F419 VanDerWaalsContact CB-CE2 3.49Å; P373-F419 HydrophobicContact CB-CZ 4.23Å; P373-F419 HydrophobicContact CG-CE2 4.04Å
374L77.4Confident68Low61 Ų6166.7 Ų66.732%0.31938%0.379SS..PPolyproline II helixtrans-52.9128.7173.4-77.6137000108.7F368 Q372 V376 F377 V378F368-L374 HydrophobicContact CZ-CD2 4.3Å; F368-L374 HydrophobicContact CZ-CG 4.33Å; Q372-L374 PolarHBondContact O-N 3.05Å; L374-V376 HydrophobicContact CB-CG2 3.99Å; L374-V376 PolarHBondContact O-N 3.24Å; L374-F377 HydrophobicContact CB-CD2 3.77Å; L374-F377 HydrophobicContact CB-CE2 4.07Å; L374-F377 HydrophobicContact CB-CG 4.36Å; L374-F377 HydrophobicContact CD1-CD2 3.95Å; L374-F377 HydrophobicContact CD1-CE2 3.43Å; L374-F377 VanDerWaalsContact CD1-CE2 3.43Å; L374-F377 HydrophobicContact CD1-CZ 4.26Å; L374-F377 HydrophobicContact CG-CD2 4.5Å; L374-F377 HydrophobicContact CG-CE2 4.38Å; L374-F377 PolarHBondContact O-N 3.36Å; L374-V378 PolarHBondContact O-N 3.49Å
375S84.7Confident71.4Confident57 Ų5765.4 Ų65.440%0.39936%0.36SS..Hα-helixtrans-53.8-31.8-174.665.60000112.7P373 F377 V378 Q379P373-S375 PolarHBondContact O-N 3.37Å; S375-F377 VanDerWaalsContact C-N 3.34Å; S375-F377 PolarHBondContact O-N 3.11Å; S375-V378 PolarHBondContact O-N 2.92Å; S375-Q379 WeakPolarHBondContact O-CB 3.09Å; S375-Q379 PolarHBondContact O-N 3.3Å
376V89.6Confident74.8Confident41 Ų4157.6 Ų57.625%0.24832%0.319CS..Hα-helixtrans-64.4-31.7176.2-63.10000113.7P268 L374 Q380P268-V376 HydrophobicContact CB-CB 4.11Å; P268-V376 HydrophobicContact CB-CG2 4.41Å; L374-V376 HydrophobicContact CB-CG2 3.99Å; L374-V376 PolarHBondContact O-N 3.24Å; V376-Q380 WeakPolarHBondContact O-CB 3.2Å; V376-Q380 PolarHBondContact O-N 3.41Å
377F92.6Very high77.9Confident2 Ų252.8 Ų52.81%0.00929%0.285CS..Hα-helixtrans-80.5-34.9177.5-60.5-34000111.8P268 I272 L374 S375 Q379 Q380 A381 N416 E418 F419 S422P268-F377 HydrophobicContact CG-CD1 4.3Å; P268-F377 HydrophobicContact CG-CE1 4.09Å; I272-F377 HydrophobicContact CG1-CE1 4.47Å; L374-F377 HydrophobicContact CB-CD2 3.77Å; L374-F377 HydrophobicContact CB-CE2 4.07Å; L374-F377 HydrophobicContact CB-CG 4.36Å; L374-F377 HydrophobicContact CD1-CD2 3.95Å; L374-F377 HydrophobicContact CD1-CE2 3.43Å; L374-F377 VanDerWaalsContact CD1-CE2 3.43Å; L374-F377 HydrophobicContact CD1-CZ 4.26Å; L374-F377 HydrophobicContact CG-CD2 4.5Å; L374-F377 HydrophobicContact CG-CE2 4.38Å; L374-F377 PolarHBondContact O-N 3.36Å; S375-F377 VanDerWaalsContact C-N 3.34Å; S375-F377 PolarHBondContact O-N 3.11Å; F377-Q379 PolarHBondContact O-N 3.15Å; F377-Q380 WeakPolarHBondContact O-CB 3.16Å; F377-Q380 PolarHBondContact O-N 3.43Å; F377-A381 PolarHBondContact O-N 3.47Å; F377-N416 WeakPolarHBondContact CD1-ND2 3.4Å; F377-N416 WeakPolarHBondContact CE1-ND2 3.47Å; F377-E418 HydrophobicContact CD2-CB 4.09Å; F377-E418 HydrophobicContact CE2-CB 3.49Å; F377-E418 VanDerWaalsContact CE2-CB 3.49Å; F377-E418 HydrophobicContact CE2-CG 4.25Å; F377-E418 HydrophobicContact CZ-CB 4.08Å; F377-E418 HydrophobicContact CZ-CG 4.49Å; F377-E418 WeakPolarHBondContact CZ-OE2 3.48Å; F377-F419 HydrophobicContact CB-CB 3.62Å; F377-F419 HydrophobicContact CB-CD1 3.7Å; F377-F419 HydrophobicContact CB-CG 3.78Å; F377-F419 HydrophobicContact CD2-CB 4.11Å; F377-F419 HydrophobicContact CG-CB 4.09Å; F377-F419 WeakPolarHBondContact O-CD1 3.45Å; F377-S422 PolarHBondContact O-OG 3.38Å
378V93.3Very high81.1Confident10 Ų1044.7 Ų44.76%0.06125%0.247CC..Hα-helixtrans-58.9-43.7168.8178.30000110.2L234 Q239 P373 L374 S375 A381 A382 F419L234-V378 HydrophobicContact CD2-CB 4.39Å; L234-V378 HydrophobicContact CD2-CG1 4.19Å; L234-V378 HydrophobicContact CD2-CG2 3.72Å; Q239-V378 VanDerWaalsContact NE2-CG1 3.34Å; P373-V378 HydrophobicContact CB-CG2 3.94Å; P373-V378 HydrophobicContact CG-CG2 3.79Å; L374-V378 PolarHBondContact O-N 3.49Å; S375-V378 PolarHBondContact O-N 2.92Å; V378-A381 PolarHBondContact O-N 3.35Å; V378-A382 WeakPolarHBondContact O-CB 3.44Å; V378-A382 PolarHBondContact O-N 3.15Å; V378-F419 HydrophobicContact CG2-CE1 4.26Å; V378-F419 HydrophobicContact CG2-CZ 3.97Å
379Q94.1Very high84.1Confident20 Ų2039.4 Ų39.49%0.09323%0.225CC..Hα-helixtrans-64.4-39.8176.5-166177.947.700112.7V228 L231 E232 L265 S375 F377 A382 A383V228-Q379 PolarHBondContact O-NE2 2.96Å; L231-Q379 HydrophobicContact CB-CG 4.03Å; E232-Q379 HydrophobicContact CB-CB 4Å; E232-Q379 HydrophobicContact CB-CG 4.28Å; L265-Q379 HydrophobicContact CD1-CG 3.84Å; L265-Q379 HydrophobicContact CD2-CG 3.79Å; L265-Q379 VanDerWaalsContact CD2-OE1 3.28Å; L265-Q379 HydrophobicContact CG-CG 4.26Å; S375-Q379 WeakPolarHBondContact O-CB 3.09Å; S375-Q379 PolarHBondContact O-N 3.3Å; F377-Q379 PolarHBondContact O-N 3.15Å; Q379-A382 PolarHBondContact O-N 3.02Å; Q379-A383 VanDerWaalsContact O-CB 3.3Å; Q379-A383 WeakPolarHBondContact O-CB 3.49Å; Q379-A383 PolarHBondContact O-N 3.48Å
380Q95.9Very high87.1Confident0 Ų034.6 Ų34.60%020%0.2CC..Hα-helixtrans-59.9-48.9173.7-177.8-1745700111.4L266 V376 F377 A383 A384 A413 N416 S422L266-Q380 PolarHBondContact O-NE2 3.2Å; V376-Q380 WeakPolarHBondContact O-CB 3.2Å; V376-Q380 PolarHBondContact O-N 3.41Å; F377-Q380 WeakPolarHBondContact O-CB 3.16Å; F377-Q380 PolarHBondContact O-N 3.43Å; Q380-A383 PolarHBondContact O-N 3.31Å; Q380-A384 PolarHBondContact O-N 3.49Å; Q380-A413 HydrophobicContact CG-CB 3.78Å; Q380-N416 PolarHBondContact OE1-ND2 3.3Å; Q380-S422 PolarHBondContact OE1-OG 3.07Å
381A96.4Very high89.5Confident1 Ų131.7 Ų31.71%0.00817%0.169CC..Hα-helixtrans-61.5-45.8177.200000112F377 V378 A383 A384 K385 F419 D421 S422 Q425F377-A381 PolarHBondContact O-N 3.47Å; V378-A381 PolarHBondContact O-N 3.35Å; A381-A383 VanDerWaalsContact C-N 3.33Å; A381-A383 PolarHBondContact O-N 3.26Å; A381-A384 PolarHBondContact O-N 3.11Å; A381-K385 WeakPolarHBondContact O-CB 3.46Å; A381-K385 PolarHBondContact O-N 3.46Å; A381-F419 HydrophobicContact CB-CD1 4.29Å; A381-F419 HydrophobicContact CB-CE1 3.82Å; A381-D421 HydrophobicContact CB-CB 4.33Å; A381-S422 PolarHBondContact N-OG 3.11Å; A381-Q425 HydrophobicContact CB-CG 4.24Å; A381-Q425 WeakPolarHBondContact O-CB 3.47Å
382A97.4Very high91.7Very high2 Ų229.5 Ų29.52%0.01715%0.154CC..Hα-helixtrans-63.8-38178.500000112.1L231 V378 Q379 C386L231-A382 HydrophobicContact CB-CB 4.16Å; L231-A382 HydrophobicContact CD2-CB 3.81Å; V378-A382 WeakPolarHBondContact O-CB 3.44Å; V378-A382 PolarHBondContact O-N 3.15Å; Q379-A382 PolarHBondContact O-N 3.02Å; A382-C386 VanDerWaalsContact O-CB 3.31Å; A382-C386 WeakPolarHBondContact O-CB 3.39Å; A382-C386 PolarHBondContact O-N 3.38Å
383A98Very high93.6Very high0 Ų027.7 Ų27.70%015%0.148CC..Hα-helixtrans-65.7-44.9174.300000112.1L262 L265 L266 Q379 Q380 A381 K385 C386 L387L262-A383 HydrophobicContact CD2-CB 4.28Å; L265-A383 HydrophobicContact CB-CB 3.73Å; L265-A383 HydrophobicContact CD1-CB 4.23Å; L266-A383 HydrophobicContact CD2-CB 4.4Å; Q379-A383 VanDerWaalsContact O-CB 3.3Å; Q379-A383 WeakPolarHBondContact O-CB 3.49Å; Q379-A383 PolarHBondContact O-N 3.48Å; Q380-A383 PolarHBondContact O-N 3.31Å; A381-A383 VanDerWaalsContact C-N 3.33Å; A381-A383 PolarHBondContact O-N 3.26Å; A383-K385 PolarHBondContact O-N 3.35Å; A383-C386 WeakPolarHBondContact O-CB 3.45Å; A383-C386 PolarHBondContact O-N 3.08Å; A383-L387 WeakPolarHBondContact O-CG 3.36Å; A383-L387 PolarHBondContact O-N 3.39Å
384A98.3Very high95.2Very high0 Ų027 Ų270%015%0.145CC..Hα-helixtrans-59.2-46.5175.400000111.7L266 Q380 A381 C386 L387 H388 L410 Q425 A426L266-A384 HydrophobicContact CD2-CB 3.65Å; Q380-A384 PolarHBondContact O-N 3.49Å; A381-A384 PolarHBondContact O-N 3.11Å; A384-C386 VanDerWaalsContact C-N 3.33Å; A384-C386 PolarHBondContact O-N 3.22Å; A384-L387 PolarHBondContact O-N 2.85Å; A384-H388 PolarHBondContact O-N 3.2Å; A384-L410 HydrophobicContact CB-CD2 4.26Å; A384-Q425 HydrophobicContact CB-CB 3.8Å; A384-A426 HydrophobicContact CB-CB 4.33Å
385K98.4Very high96.1Very high81 Ų8127 Ų2735%0.35215%0.15SC..Hα-helixtrans-59.8-42.9175.3-175.4176.3-178.6177.90112.3I243 A381 A383 H388 I389 Q425I243-K385 HydrophobicContact CD1-CD 4.37Å; I243-K385 HydrophobicContact CD1-CG 4.4Å; A381-K385 WeakPolarHBondContact O-CB 3.46Å; A381-K385 PolarHBondContact O-N 3.46Å; A383-K385 PolarHBondContact O-N 3.35Å; K385-H388 PolarHBondContact O-N 3.33Å; K385-I389 HydrophobicContact CG-CD1 4.16Å; K385-I389 WeakPolarHBondContact O-CG1 3.14Å; K385-I389 PolarHBondContact O-N 3.02Å; K385-I389 VanDerWaalsContact O-N 3.11Å; K385-Q425 HydrophobicContact CB-CB 4.29Å; K385-Q425 HydrophobicContact CB-CG 4.06Å
386C98.6Very high96.7Very high0 Ų028 Ų280%015%0.154CC..Hα-helixtrans-61.2-50.1177-169.10000110.8I243 L262 A382 A383 A384 H388 I389 L390I243-C386 HydrophobicContact CG1-CB 4.11Å; L262-C386 HydrophobicContact CD1-CB 4.36Å; L262-C386 HydrophobicContact CD2-CB 4.3Å; A382-C386 VanDerWaalsContact O-CB 3.31Å; A382-C386 WeakPolarHBondContact O-CB 3.39Å; A382-C386 PolarHBondContact O-N 3.38Å; A383-C386 WeakPolarHBondContact O-CB 3.45Å; A383-C386 PolarHBondContact O-N 3.08Å; A384-C386 VanDerWaalsContact C-N 3.33Å; A384-C386 PolarHBondContact O-N 3.22Å; C386-H388 VanDerWaalsContact C-N 3.29Å; C386-H388 PolarHBondContact O-N 3.41Å; C386-I389 PolarHBondContact O-N 3.36Å; C386-L390 WeakPolarHBondContact O-CB 3.07Å; C386-L390 VanDerWaalsContact O-CG 3.25Å; C386-L390 WeakPolarHBondContact O-CG 3.33Å; C386-L390 PolarHBondContact O-N 2.97Å
387L98.6Very high97Very high2 Ų226.9 Ų26.91%0.0115%0.146CC..Hα-helixtrans-60.9-36.8178.6-70.1168.4000112.8L259 L262 I263 L266 A383 A384 S391 I401L259-L387 HydrophobicContact CD2-CD2 4.24Å; L262-L387 HydrophobicContact CB-CD1 4.27Å; L262-L387 HydrophobicContact CB-CD2 3.93Å; L262-L387 HydrophobicContact CB-CG 4.06Å; L262-L387 HydrophobicContact CD1-CD2 4.09Å; L262-L387 HydrophobicContact CD1-CG 4.44Å; I263-L387 HydrophobicContact CG1-CD1 4.18Å; I263-L387 HydrophobicContact CG1-CD2 4.34Å; L266-L387 HydrophobicContact CD1-CD1 3.57Å; L266-L387 HydrophobicContact CD2-CD1 4.47Å; L266-L387 HydrophobicContact CG-CD1 4.07Å; A383-L387 WeakPolarHBondContact O-CG 3.36Å; A383-L387 PolarHBondContact O-N 3.39Å; A384-L387 PolarHBondContact O-N 2.85Å; L387-S391 WeakPolarHBondContact O-CB 3.42Å; L387-S391 PolarHBondContact O-N 3.25Å; L387-S391 PolarHBondContact O-OG 2.94Å; L387-I401 HydrophobicContact CB-CD1 4.49Å; L387-I401 HydrophobicContact CD2-CD1 3.73Å; L387-I401 HydrophobicContact CD2-CG1 3.9Å; L387-I401 HydrophobicContact CD2-CG2 4.2Å
388H98.5Very high97.3Very high23 Ų2326.8 Ų26.811%0.10615%0.146CC..Hα-helixtrans-59.8-54.8173.5-177.1-171.8000111.2A384 K385 C386 L390 S391 Q392 A429A384-H388 PolarHBondContact O-N 3.2Å; K385-H388 PolarHBondContact O-N 3.33Å; C386-H388 VanDerWaalsContact C-N 3.29Å; C386-H388 PolarHBondContact O-N 3.41Å; H388-L390 VanDerWaalsContact C-N 3.31Å; H388-L390 PolarHBondContact O-N 3.33Å; H388-S391 WeakPolarHBondContact O-CB 3.22Å; H388-S391 PolarHBondContact O-N 3.44Å; H388-Q392 PolarHBondContact NE2-NE2 2.91Å; H388-Q392 PolarHBondContact O-N 3.47Å; H388-A429 HydrophobicContact CB-CB 3.83Å
389I98.5Very high97.4Very high39 Ų3929.4 Ų29.420%0.216%0.155CC..Hα-helixtrans-59-44.3-179.8-67.4165.4000110.8I243 R247 K385 C386 S391 Q392 D393I243-I389 HydrophobicContact CG2-CD1 3.89Å; R247-I389 HydrophobicContact CG-CG2 4.44Å; K385-I389 HydrophobicContact CG-CD1 4.16Å; K385-I389 WeakPolarHBondContact O-CG1 3.14Å; K385-I389 PolarHBondContact O-N 3.02Å; K385-I389 VanDerWaalsContact O-N 3.11Å; C386-I389 PolarHBondContact O-N 3.36Å; I389-S391 VanDerWaalsContact C-N 3.27Å; I389-S391 PolarHBondContact O-N 2.9Å; I389-Q392 PolarHBondContact O-N 3.42Å; I389-D393 PolarHBondContact O-N 3.23Å
390L98.5Very high97.6Very high3 Ų331.6 Ų31.62%0.01616%0.164CC..Hα-helixtrans-62.2-34.8177.5-68.3-178.8000112.9V246 R247 M250 L259 L262 C386 H388 D393 S394 I397 I401V246-L390 HydrophobicContact CG1-CD1 3.87Å; V246-L390 HydrophobicContact CG1-CD2 4.28Å; R247-L390 HydrophobicContact CG-CD2 4.04Å; M250-L390 HydrophobicContact CG-CD2 3.61Å; M250-L390 HydrophobicContact SD-CD1 3.83Å; M250-L390 HydrophobicContact SD-CD2 4.05Å; L259-L390 HydrophobicContact CD2-CD1 3.93Å; L262-L390 HydrophobicContact CD1-CD1 4.01Å; C386-L390 WeakPolarHBondContact O-CB 3.07Å; C386-L390 VanDerWaalsContact O-CG 3.25Å; C386-L390 WeakPolarHBondContact O-CG 3.33Å; C386-L390 PolarHBondContact O-N 2.97Å; H388-L390 VanDerWaalsContact C-N 3.31Å; H388-L390 PolarHBondContact O-N 3.33Å; L390-D393 PolarHBondContact O-N 3.4Å; L390-S394 PolarHBondContact O-N 3.17Å; L390-I397 HydrophobicContact CB-CG2 4.06Å; L390-I401 HydrophobicContact CB-CD1 4.25Å
391S98.2Very high97.6Very high2 Ų231.6 Ų31.61%0.01416%0.164CC..Hα-helixtrans-71-34.3177.5-61.70000112.2L387 H388 I389 I401 Y432L387-S391 WeakPolarHBondContact O-CB 3.42Å; L387-S391 PolarHBondContact O-N 3.25Å; L387-S391 PolarHBondContact O-OG 2.94Å; H388-S391 WeakPolarHBondContact O-CB 3.22Å; H388-S391 PolarHBondContact O-N 3.44Å; I389-S391 VanDerWaalsContact C-N 3.27Å; I389-S391 PolarHBondContact O-N 2.9Å; S391-I401 WeakPolarHBondContact OG-CD1 3.39Å; S391-Y432 VanDerWaalsContact C-CE1 3.44Å; S391-Y432 VanDerWaalsContact O-CE1 3.29Å; S391-Y432 WeakPolarHBondContact O-CE1 3.35Å; S391-Y432 PolarHBondContact O-OH 3.27Å
392Q97.9Very high97.7Very high103 Ų10331.6 Ų31.648%0.48116%0.163SC..Hα-helixtrans-69.9-38.6173.7-69179.7-34.200112.2H388 I389 S394 Y432H388-Q392 PolarHBondContact NE2-NE2 2.91Å; H388-Q392 PolarHBondContact O-N 3.47Å; I389-Q392 PolarHBondContact O-N 3.42Å; Q392-S394 PolarHBondContact O-N 3.07Å; Q392-Y432 WeakPolarHBondContact CA-OH 3.42Å; Q392-Y432 HydrophobicContact CB-CE2 4.47Å; Q392-Y432 HydrophobicContact CG-CD1 4.45Å; Q392-Y432 HydrophobicContact CG-CD2 3.81Å; Q392-Y432 HydrophobicContact CG-CE1 4.37Å; Q392-Y432 HydrophobicContact CG-CE2 3.7Å; Q392-Y432 HydrophobicContact CG-CG 4.18Å
393D97.2Very high97.6Very high81 Ų8136.6 Ų36.643%0.43319%0.185SC..Hα-helixtrans-69.3-30.7-178.4-76.8-24.3000113.2R247 I389 L390R247-D393 IonicContact CZ-OD1 3.66Å; R247-D393 IonicContact CZ-OD2 2.79Å; R247-D393 IonicContact NE-OD1 2.64Å; R247-D393 IonicContact NE-OD2 3.81Å; R247-D393 PolarHBondContact NE-OD2 3.11Å; R247-D393 IonicContact NH2-OD1 3.5Å; R247-D393 PolarHBondContact NH2-OD1 3.32Å; R247-D393 IonicContact NH2-OD2 3.87Å; R247-D393 PolarHBondContact NH2-OD2 2.68Å; R247-D393 VanDerWaalsContact NH2-OD2 3.11Å; I389-D393 PolarHBondContact O-N 3.23Å; L390-D393 PolarHBondContact O-N 3.4Å
394S97.4Very high97.5Very high40 Ų4038.8 Ų38.828%0.2820%0.196SC..  trans-154.8121-174.3176.10000113.8L390 Q392 T396 I397 S398L390-S394 PolarHBondContact O-N 3.17Å; Q392-S394 PolarHBondContact O-N 3.07Å; S394-T396 PolarHBondContact O-N 3.21Å; S394-T396 PolarHBondContact OG-N 3.33Å; S394-I397 PolarHBondContact O-N 2.92Å; S394-I397 VanDerWaalsContact O-N 3.15Å; S394-I397 PolarHBondContact OG-N 3.45Å; S394-S398 WeakPolarHBondContact O-CB 3.08Å; S394-S398 PolarHBondContact O-N 3.2Å
395S95.9Very high97.3Very high60 Ų6039.9 Ų39.942%0.4221%0.207SC..Hα-helixtrans-61.3-31.1173.969.10000112.9R399 Y437S395-R399 WeakPolarHBondContact O-CB 3.36Å; S395-R399 WeakPolarHBondContact O-CG 3.12Å; S395-R399 PolarHBondContact O-N 2.84Å; S395-R399 PolarHBondContact OG-NH2 3.46Å; S395-R399 VanDerWaalsContact OG-NH2 3.15Å; S395-Y437 PolarHBondContact O-OH 2.95Å
396T96.6Very high97.2Very high78 Ų7836 Ų3648%0.47919%0.19SC..Hα-helixtrans-68.6-41.6176.4-61.20000111.4S394 R399 K400S394-T396 PolarHBondContact O-N 3.21Å; S394-T396 PolarHBondContact OG-N 3.33Å; T396-R399 PolarHBondContact OG1-NH2 3.5Å; T396-K400 PolarHBondContact O-N 2.54Å; T396-K400 VanDerWaalsContact O-N 3.09Å
397I97.4Very high97.1Very high17 Ų1736 Ų369%0.08719%0.19CC..Hα-helixtrans-68.8-43.1175.2-62.5-60.6000110.3M250 V255 L259 L390 S394 R399 K400 I401M250-I397 HydrophobicContact CB-CD1 4.45Å; M250-I397 HydrophobicContact SD-CD1 4.4Å; M250-I397 HydrophobicContact SD-CG2 4.38Å; V255-I397 HydrophobicContact CG2-CD1 3.75Å; L259-I397 HydrophobicContact CD1-CG2 4.26Å; L259-I397 HydrophobicContact CD2-CG2 4.18Å; L390-I397 HydrophobicContact CB-CG2 4.06Å; S394-I397 PolarHBondContact O-N 2.92Å; S394-I397 VanDerWaalsContact O-N 3.15Å; S394-I397 PolarHBondContact OG-N 3.45Å; I397-R399 PolarHBondContact O-N 3.49Å; I397-K400 WeakPolarHBondContact O-CA 3.42Å; I397-K400 WeakPolarHBondContact O-CB 3.46Å; I397-K400 PolarHBondContact O-N 2.93Å; I397-I401 HydrophobicContact CG2-CD1 3.84Å; I397-I401 HydrophobicContact CG2-CG1 4.31Å; I397-I401 WeakPolarHBondContact O-CG1 3.39Å; I397-I401 PolarHBondContact O-N 3.38Å
398S97.5Very high97Very high0 Ų037 Ų370%020%0.197CC..Hα-helixtrans-55.4-48.1175-179.90000112.5S394 K400 I401 I402 L433 Y437S394-S398 WeakPolarHBondContact O-CB 3.08Å; S394-S398 PolarHBondContact O-N 3.2Å; S398-K400 VanDerWaalsContact C-N 3.34Å; S398-K400 PolarHBondContact O-N 3.03Å; S398-I401 WeakPolarHBondContact O-CB 3.43Å; S398-I401 PolarHBondContact O-N 3.05Å; S398-I402 WeakPolarHBondContact O-CG1 3.45Å; S398-I402 PolarHBondContact O-N 3.34Å; S398-I402 VanDerWaalsContact O-N 3.08Å; S398-L433 WeakPolarHBondContact OG-CD2 3.45Å; S398-Y437 WeakPolarHBondContact CB-OH 3.35Å; S398-Y437 VanDerWaalsContact OG-CE2 3.24Å; S398-Y437 WeakPolarHBondContact OG-CE2 3.27Å; S398-Y437 PolarHBondContact OG-OH 2.89Å
399R96.9Very high96.9Very high66 Ų6637.3 Ų37.325%0.24920%0.199CC..Hα-helixtrans-60.9-39.7173.2-77.3-173.6-68.3-83.4-8.3112.4S395 T396 I397 I402 K403 Y437 L487S395-R399 WeakPolarHBondContact O-CB 3.36Å; S395-R399 WeakPolarHBondContact O-CG 3.12Å; S395-R399 PolarHBondContact O-N 2.84Å; S395-R399 PolarHBondContact OG-NH2 3.46Å; S395-R399 VanDerWaalsContact OG-NH2 3.15Å; T396-R399 PolarHBondContact OG1-NH2 3.5Å; I397-R399 PolarHBondContact O-N 3.49Å; R399-I402 PolarHBondContact O-N 3.31Å; R399-K403 WeakPolarHBondContact O-CB 3.23Å; R399-K403 WeakPolarHBondContact O-CG 3.31Å; R399-K403 PolarHBondContact O-N 3.07Å; R399-Y437 HydrophobicContact CG-CE1 4.09Å; R399-L487 WeakPolarHBondContact CD-OXT 3.33Å; R399-L487 HydrophobicContact CG-CB 4.19Å
400K96.9Very high96.8Very high65 Ų6535.5 Ų35.528%0.28319%0.19SC..Hα-helixtrans-61.1-47.2174.9-79.6-172.7168.6-155.80111.5D256 L259 T396 I397 S398 I402 K403 M404D256-K400 IonicContact OD1-NZ 3.9Å; D256-K400 PolarHBondContact OD1-NZ 2.8Å; D256-K400 IonicContact OD2-NZ 2.84Å; D256-K400 PolarHBondContact OD2-NZ 3.12Å; L259-K400 HydrophobicContact CD1-CB 4.04Å; L259-K400 HydrophobicContact CD1-CD 4.42Å; T396-K400 PolarHBondContact O-N 2.54Å; T396-K400 VanDerWaalsContact O-N 3.09Å; I397-K400 WeakPolarHBondContact O-CA 3.42Å; I397-K400 WeakPolarHBondContact O-CB 3.46Å; I397-K400 PolarHBondContact O-N 2.93Å; S398-K400 VanDerWaalsContact C-N 3.34Å; S398-K400 PolarHBondContact O-N 3.03Å; K400-I402 VanDerWaalsContact C-N 3.29Å; K400-I402 PolarHBondContact O-N 3.02Å; K400-K403 PolarHBondContact O-N 3.39Å; K400-K403 VanDerWaalsContact O-N 3.12Å; K400-M404 HydrophobicContact CB-SD 4.42Å; K400-M404 WeakPolarHBondContact O-CB 3.45Å; K400-M404 WeakPolarHBondContact O-CG 3.42Å; K400-M404 PolarHBondContact O-N 2.96Å
401I97.4Very high96.7Very high1 Ų135.3 Ų35.31%0.00519%0.189CC..Hα-helixtrans-54.6-46.7177.6-70.8167.5000110.4L259 L387 L390 S391 I397 S398 M404 A406L259-I401 HydrophobicContact CD1-CG1 4.27Å; L259-I401 HydrophobicContact CD2-CD1 4.1Å; L259-I401 HydrophobicContact CD2-CG1 3.84Å; L387-I401 HydrophobicContact CB-CD1 4.49Å; L387-I401 HydrophobicContact CD2-CD1 3.73Å; L387-I401 HydrophobicContact CD2-CG1 3.9Å; L387-I401 HydrophobicContact CD2-CG2 4.2Å; L390-I401 HydrophobicContact CB-CD1 4.25Å; S391-I401 WeakPolarHBondContact OG-CD1 3.39Å; I397-I401 HydrophobicContact CG2-CD1 3.84Å; I397-I401 HydrophobicContact CG2-CG1 4.31Å; I397-I401 WeakPolarHBondContact O-CG1 3.39Å; I397-I401 PolarHBondContact O-N 3.38Å; S398-I401 WeakPolarHBondContact O-CB 3.43Å; S398-I401 PolarHBondContact O-N 3.05Å; I401-M404 PolarHBondContact O-N 3.4Å; I401-A406 HydrophobicContact CG2-CB 3.34Å; I401-A406 WeakPolarHBondContact O-CB 3.46Å; I401-A406 PolarHBondContact O-N 3.41Å
402I97.2Very high96.6Very high0 Ų035.5 Ų35.50%019%0.19CC..Hα-helixtrans-63.8-47.9176.4-61.4160.9000111.3S398 R399 K400 M404 G405 L407 L433 Y437 V440 Y482 L487S398-I402 WeakPolarHBondContact O-CG1 3.45Å; S398-I402 PolarHBondContact O-N 3.34Å; S398-I402 VanDerWaalsContact O-N 3.08Å; R399-I402 PolarHBondContact O-N 3.31Å; K400-I402 VanDerWaalsContact C-N 3.29Å; K400-I402 PolarHBondContact O-N 3.02Å; I402-M404 PolarHBondContact O-N 3.27Å; I402-M404 VanDerWaalsContact O-N 3.14Å; I402-G405 PolarHBondContact O-N 3.23Å; I402-L407 HydrophobicContact CG2-CD1 4.23Å; I402-L407 HydrophobicContact CG2-CG 4.39Å; I402-L433 HydrophobicContact CD1-CD2 4.13Å; I402-L433 HydrophobicContact CG1-CD1 4.35Å; I402-L433 HydrophobicContact CG1-CD2 4.24Å; I402-Y437 HydrophobicContact CD1-CD2 3.5Å; I402-Y437 VanDerWaalsContact CD1-CD2 3.5Å; I402-Y437 HydrophobicContact CD1-CE2 3.54Å; I402-Y437 HydrophobicContact CD1-CG 4.21Å; I402-V440 HydrophobicContact CD1-CG2 3.91Å; I402-V440 HydrophobicContact CG2-CG2 4.36Å; I402-Y482 HydrophobicContact CG2-CD1 3.69Å; I402-Y482 HydrophobicContact CG2-CE1 3.7Å; I402-L487 HydrophobicContact CB-CD1 3.91Å; I402-L487 HydrophobicContact CD1-CD1 3.63Å; I402-L487 HydrophobicContact CG1-CD1 4.38Å; I402-L487 HydrophobicContact CG2-CD1 3.61Å
403K96.2Very high96.5Very high107 Ų10730.6 Ų30.647%0.46517%0.167SC..Hα-helixtrans-58.8-27.2178.9-72-179.6177.5-173.20113.3R399 K400 G405 T483R399-K403 WeakPolarHBondContact O-CB 3.23Å; R399-K403 WeakPolarHBondContact O-CG 3.31Å; R399-K403 PolarHBondContact O-N 3.07Å; K400-K403 PolarHBondContact O-N 3.39Å; K400-K403 VanDerWaalsContact O-N 3.12Å; K403-G405 VanDerWaalsContact C-N 3.26Å; K403-G405 PolarHBondContact O-N 3Å; K403-T483 WeakPolarHBondContact CA-O 3.46Å; K403-T483 WeakPolarHBondContact CG-O 3.42Å
404M95.5Very high96.5Very high46 Ų4626.8 Ų26.823%0.22715%0.146CC..THydrogen-bonded Turntrans-86.18.6178.3-65.2168.18400113.2D256 L259 M260 I263 K400 I401 I402D256-M404 WeakPolarHBondContact O-CE 3.3Å; L259-M404 HydrophobicContact CB-CE 3.8Å; L259-M404 HydrophobicContact CB-SD 3.82Å; L259-M404 HydrophobicContact CD1-SD 4.06Å; M260-M404 HydrophobicContact CB-CE 4.01Å; M260-M404 HydrophobicContact CG-CE 3.32Å; M260-M404 HydrophobicContact SD-CB 4.22Å; M260-M404 HydrophobicContact SD-CE 3.56Å; M260-M404 VanDerWaalsContact SD-CE 3.56Å; I263-M404 HydrophobicContact CD1-CB 3.47Å; I263-M404 VanDerWaalsContact CD1-CB 3.47Å; K400-M404 HydrophobicContact CB-SD 4.42Å; K400-M404 WeakPolarHBondContact O-CB 3.45Å; K400-M404 WeakPolarHBondContact O-CG 3.42Å; K400-M404 PolarHBondContact O-N 2.96Å; I401-M404 PolarHBondContact O-N 3.4Å; I402-M404 PolarHBondContact O-N 3.27Å; I402-M404 VanDerWaalsContact O-N 3.14Å
405G93.4Very high96.4Very high23 Ų2324.9 Ų24.924%0.23713%0.133CC..THydrogen-bonded Turntrans8220.817300000114.5I402 K403 L407I402-G405 PolarHBondContact O-N 3.23Å; K403-G405 VanDerWaalsContact C-N 3.26Å; K403-G405 PolarHBondContact O-N 3Å; G405-L407 PolarHBondContact O-N 3.39Å
406A96.1Very high96.2Very high0 Ų022 Ų220%011%0.113CC..Hα-helixtrans-60.9-28.3-176.800000114.1I263 I401 S408 N409 L410I263-A406 HydrophobicContact CD1-CB 3.99Å; I263-A406 HydrophobicContact CG1-CB 3.96Å; I401-A406 HydrophobicContact CG2-CB 3.34Å; I401-A406 WeakPolarHBondContact O-CB 3.46Å; I401-A406 PolarHBondContact O-N 3.41Å; A406-S408 PolarHBondContact O-N 2.85Å; A406-N409 PolarHBondContact O-N 3.31Å; A406-L410 HydrophobicContact CB-CD1 4.5Å; A406-L410 WeakPolarHBondContact O-CB 3.48Å; A406-L410 WeakPolarHBondContact O-CG 3.49Å; A406-L410 PolarHBondContact O-N 2.97Å
407L96.7Very high95.9Very high1 Ų120.3 Ų20.31%0.00510%0.101CC..Hα-helixtrans-58.7-46.5-176.2-62.4-177000112.6I402 G405 N409 L410 L411 L430 L433 V440 V480 Y482I402-L407 HydrophobicContact CG2-CD1 4.23Å; I402-L407 HydrophobicContact CG2-CG 4.39Å; G405-L407 PolarHBondContact O-N 3.39Å; L407-N409 VanDerWaalsContact C-N 3.31Å; L407-N409 PolarHBondContact O-N 3.41Å; L407-L410 PolarHBondContact O-N 3.43Å; L407-L411 WeakPolarHBondContact O-CG 3.46Å; L407-L411 PolarHBondContact O-N 2.99Å; L407-L430 HydrophobicContact CD2-CD2 4Å; L407-L433 HydrophobicContact CD2-CD1 3.77Å; L407-V440 HydrophobicContact CD1-CB 4.48Å; L407-V440 HydrophobicContact CD1-CG1 3.79Å; L407-V440 HydrophobicContact CD1-CG2 4.24Å; L407-V440 HydrophobicContact CD2-CG1 3.59Å; L407-V440 HydrophobicContact CG-CG1 4.36Å; L407-V480 HydrophobicContact CB-CG1 4.12Å; L407-Y482 HydrophobicContact CD1-CD1 3.72Å
408S96.1Very high95.5Very high21 Ų2122.9 Ų22.915%0.14711%0.113CC..Hα-helixtrans-62.1-41.4179.7-176.70000111.7A406 L411 Y412 N478 V480A406-S408 PolarHBondContact O-N 2.85Å; S408-L411 PolarHBondContact O-N 3.21Å; S408-Y412 WeakPolarHBondContact O-CB 3.48Å; S408-Y412 PolarHBondContact O-N 3.38Å; S408-N478 WeakPolarHBondContact CA-OD1 3.32Å; S408-N478 WeakPolarHBondContact CB-OD1 3.41Å; S408-N478 PolarHBondContact O-ND2 3.02Å; S408-N478 PolarHBondContact OG-OD1 2.89Å; S408-V480 VanDerWaalsContact CB-O 3.31Å; S408-V480 WeakPolarHBondContact CB-O 3.4Å
409N96.4Very high95.3Very high30 Ų3024.7 Ų24.716%0.1612%0.12CC..Hα-helixtrans-76.3-30.3-179.1-64.81.5000112.4I263 L266 A406 L407 Y412 A413I263-N409 WeakPolarHBondContact CG2-ND2 3.4Å; I263-N409 PolarHBondContact O-ND2 3.38Å; L266-N409 HydrophobicContact CB-CB 3.55Å; L266-N409 HydrophobicContact CD1-CB 3.96Å; L266-N409 HydrophobicContact CG-CB 4.44Å; A406-N409 PolarHBondContact O-N 3.31Å; L407-N409 VanDerWaalsContact C-N 3.31Å; L407-N409 PolarHBondContact O-N 3.41Å; N409-Y412 WeakPolarHBondContact O-CB 3.43Å; N409-Y412 PolarHBondContact O-N 3.22Å; N409-A413 WeakPolarHBondContact O-CB 3.5Å; N409-A413 PolarHBondContact O-N 3.35Å
410L97.7Very high95.1Very high1 Ų124.5 Ų24.51%0.00513%0.129CC..Hα-helixtrans-67.2-42.8171.4-74.7171.7000111L266 A384 A406 L407 Y412 A413 M414 A426 A429 L430 L433L266-L410 HydrophobicContact CD1-CD2 3.59Å; L266-L410 HydrophobicContact CD1-CG 3.72Å; L266-L410 HydrophobicContact CD2-CD2 4.04Å; L266-L410 HydrophobicContact CG-CD2 4.48Å; A384-L410 HydrophobicContact CB-CD2 4.26Å; A406-L410 HydrophobicContact CB-CD1 4.5Å; A406-L410 WeakPolarHBondContact O-CB 3.48Å; A406-L410 WeakPolarHBondContact O-CG 3.49Å; A406-L410 PolarHBondContact O-N 2.97Å; L407-L410 PolarHBondContact O-N 3.43Å; L410-Y412 VanDerWaalsContact C-N 3.3Å; L410-Y412 PolarHBondContact O-N 3.12Å; L410-A413 PolarHBondContact O-N 2.89Å; L410-M414 WeakPolarHBondContact O-CB 3.13Å; L410-M414 PolarHBondContact O-N 3.35Å; L410-A426 HydrophobicContact CD2-CB 4.34Å; L410-A426 WeakPolarHBondContact O-CB 3.38Å; L410-A429 HydrophobicContact CD1-CB 4.15Å; L410-A429 HydrophobicContact CD2-CB 3.8Å; L410-L430 HydrophobicContact CB-CD1 3.91Å; L410-L430 HydrophobicContact CB-CD2 3.83Å; L410-L430 HydrophobicContact CB-CG 3.67Å; L410-L430 HydrophobicContact CD1-CD2 4.05Å; L410-L430 HydrophobicContact CD1-CG 4.13Å; L410-L430 HydrophobicContact CG-CG 4.48Å; L410-L433 HydrophobicContact CD1-CD1 3.85Å
411L96.8Very high94.9Very high0 Ų024.1 Ų24.10%013%0.13CC..Hα-helixtrans-59.6-43.9172.6-74.2167.7000110.8L407 S408 A413 M414 G415 L430 V444 A447 M448 L475 N478 V480L407-L411 WeakPolarHBondContact O-CG 3.46Å; L407-L411 PolarHBondContact O-N 2.99Å; S408-L411 PolarHBondContact O-N 3.21Å; L411-A413 PolarHBondContact O-N 3.5Å; L411-M414 WeakPolarHBondContact O-CB 3.45Å; L411-M414 PolarHBondContact O-N 3.17Å; L411-G415 PolarHBondContact O-N 3.28Å; L411-G415 VanDerWaalsContact O-N 3.08Å; L411-L430 HydrophobicContact CD2-CD1 3.87Å; L411-L430 HydrophobicContact CG-CD1 4.11Å; L411-V444 HydrophobicContact CD2-CG1 4.37Å; L411-A447 HydrophobicContact CD1-CB 4.02Å; L411-M448 HydrophobicContact CD2-CE 4.42Å; L411-M448 HydrophobicContact CD2-CG 3.86Å; L411-M448 HydrophobicContact CD2-SD 4.1Å; L411-L475 HydrophobicContact CD2-CD2 3.74Å; L411-L475 WeakPolarHBondContact O-CB 3.47Å; L411-N478 WeakPolarHBondContact CB-ND2 3.5Å; L411-N478 HydrophobicContact CD1-CB 4.37Å; L411-V480 HydrophobicContact CD1-CB 4.39Å; L411-V480 HydrophobicContact CD1-CG2 3.65Å
412Y95.9Very high94.8Very high6 Ų624.1 Ų24.12%0.02413%0.13CC..Hα-helixtrans-56-49.3174.3-176.5-82.5000112.1K267 E271 I272 S408 N409 L410 M414 G415 V476K267-Y412 HydrophobicContact CB-CD1 4.24Å; K267-Y412 HydrophobicContact CB-CE1 4.48Å; K267-Y412 HydrophobicContact CD-CD2 4.1Å; K267-Y412 HydrophobicContact CD-CE2 4.26Å; K267-Y412 HydrophobicContact CD-CG 4.33Å; K267-Y412 HydrophobicContact CG-CD1 3.97Å; K267-Y412 HydrophobicContact CG-CD2 4.16Å; K267-Y412 HydrophobicContact CG-CE1 3.93Å; K267-Y412 HydrophobicContact CG-CE2 4.1Å; K267-Y412 HydrophobicContact CG-CG 4.11Å; E271-Y412 WeakPolarHBondContact CA-OH 3.38Å; I272-Y412 HydrophobicContact CD1-CD1 3.8Å; I272-Y412 HydrophobicContact CD1-CE1 3.24Å; I272-Y412 HydrophobicContact CD1-CE2 4.4Å; I272-Y412 HydrophobicContact CG1-CE1 3.79Å; I272-Y412 PolarHBondContact N-OH 3.01Å; I272-Y412 VanDerWaalsContact N-OH 3.11Å; S408-Y412 WeakPolarHBondContact O-CB 3.48Å; S408-Y412 PolarHBondContact O-N 3.38Å; N409-Y412 WeakPolarHBondContact O-CB 3.43Å; N409-Y412 PolarHBondContact O-N 3.22Å; L410-Y412 VanDerWaalsContact C-N 3.3Å; L410-Y412 PolarHBondContact O-N 3.12Å; Y412-M414 VanDerWaalsContact C-N 3.33Å; Y412-M414 PolarHBondContact O-N 2.8Å; Y412-G415 PolarHBondContact O-N 3.07Å; Y412-V476 HydrophobicContact CD2-CB 4.38Å; Y412-V476 HydrophobicContact CD2-CG1 3.89Å; Y412-V476 WeakPolarHBondContact CD2-O 3.39Å; Y412-V476 HydrophobicContact CE2-CB 4.44Å; Y412-V476 HydrophobicContact CE2-CG1 3.51Å
413A96.2Very high94.8Very high0 Ų024.5 Ų24.50%013%0.132CC..Hα-helixtrans-66-34.5178.600000112.8L266 Q380 N409 L410 L411 G415 N416 A426L266-A413 HydrophobicContact CD2-CB 4.33Å; Q380-A413 HydrophobicContact CG-CB 3.78Å; N409-A413 WeakPolarHBondContact O-CB 3.5Å; N409-A413 PolarHBondContact O-N 3.35Å; L410-A413 PolarHBondContact O-N 2.89Å; L411-A413 PolarHBondContact O-N 3.5Å; A413-G415 VanDerWaalsContact C-N 3.28Å; A413-G415 PolarHBondContact O-N 3.13Å; A413-N416 VanDerWaalsContact O-CB 3.24Å; A413-N416 WeakPolarHBondContact O-CB 3.36Å; A413-N416 PolarHBondContact O-N 3.31Å; A413-N416 VanDerWaalsContact O-N 3.15Å; A413-A426 HydrophobicContact CB-CB 3.71Å
414M96.2Very high94.8Very high0 Ų023.5 Ų23.50%013%0.125CC..Hα-helixtrans-62-36.2174.6-178.7174.2147.400111.9L410 L411 Y412 N416 Q423 A426 S427 L430 M448 F456 H463 M467 L475L410-M414 WeakPolarHBondContact O-CB 3.13Å; L410-M414 PolarHBondContact O-N 3.35Å; L411-M414 WeakPolarHBondContact O-CB 3.45Å; L411-M414 PolarHBondContact O-N 3.17Å; Y412-M414 VanDerWaalsContact C-N 3.33Å; Y412-M414 PolarHBondContact O-N 2.8Å; M414-N416 PolarHBondContact O-N 3.09Å; M414-Q423 WeakPolarHBondContact O-CG 3.3Å; M414-Q423 PolarHBondContact O-NE2 2.91Å; M414-A426 HydrophobicContact CB-CB 4.13Å; M414-S427 VanDerWaalsContact CG-OG 3.23Å; M414-S427 WeakPolarHBondContact CG-OG 3.34Å; M414-S427 PolarHBondContact SD-OG 3.11Å; M414-L430 HydrophobicContact CB-CD1 4.45Å; M414-L430 HydrophobicContact SD-CD1 4.04Å; M414-M448 HydrophobicContact CE-CE 3.1Å; M414-M448 HydrophobicContact SD-CE 3.77Å; M414-F456 HydrophobicContact CE-CB 4.36Å; M414-F456 HydrophobicContact CE-CD2 4.22Å; M414-F456 HydrophobicContact CE-CG 4.41Å; M414-F456 HydrophobicContact SD-CD2 4.25Å; M414-F456 HydrophobicContact SD-CE2 4.46Å; M414-H463 WeakPolarHBondContact CE-NE2 3.29Å; M414-M467 HydrophobicContact CE-CE 4.49Å; M414-M467 HydrophobicContact CG-CE 4.33Å; M414-M467 WeakPolarHBondContact O-CE 3.48Å; M414-L475 HydrophobicContact CB-CD1 4.37Å; M414-L475 HydrophobicContact CE-CD1 3.75Å; M414-L475 HydrophobicContact CE-CD2 4.33Å; M414-L475 HydrophobicContact CG-CD1 3.92Å; M414-L475 HydrophobicContact SD-CD1 4.41Å
415G94.5Very high94.9Very high0 Ų021.9 Ų21.90%012%0.117CC..THydrogen-bonded Turntrans-77.44.9175.300000115.5L411 Y412 A413 L417 A472L411-G415 PolarHBondContact O-N 3.28Å; L411-G415 VanDerWaalsContact O-N 3.08Å; Y412-G415 PolarHBondContact O-N 3.07Å; A413-G415 VanDerWaalsContact C-N 3.28Å; A413-G415 PolarHBondContact O-N 3.13Å; G415-L417 PolarHBondContact O-N 2.93Å; G415-A472 WeakPolarHBondContact O-CB 3.24Å
416N93.2Very high95.2Very high0 Ų020.8 Ų20.80%011%0.106CC..  trans-77.189.5-176.9-172.32.5000113.5I272 F377 Q380 A413 M414 E418 F419 Q423I272-N416 HydrophobicContact CD1-CB 3.66Å; I272-N416 HydrophobicContact CG1-CB 4.31Å; F377-N416 WeakPolarHBondContact CD1-ND2 3.4Å; F377-N416 WeakPolarHBondContact CE1-ND2 3.47Å; Q380-N416 PolarHBondContact OE1-ND2 3.3Å; A413-N416 VanDerWaalsContact O-CB 3.24Å; A413-N416 WeakPolarHBondContact O-CB 3.36Å; A413-N416 PolarHBondContact O-N 3.31Å; A413-N416 VanDerWaalsContact O-N 3.15Å; M414-N416 PolarHBondContact O-N 3.09Å; N416-E418 PolarHBondContact O-N 2.99Å; N416-E418 WeakPolarHBondContact OD1-CB 3.22Å; N416-E418 PolarHBondContact OD1-N 2.96Å; N416-F419 PolarHBondContact O-N 2.92Å; N416-Q423 HydrophobicContact CB-CG 4.49Å; N416-Q423 WeakPolarHBondContact O-CG 3.35Å
417L90.8Very high95.2Very high42 Ų4220.8 Ų20.822%0.2211%0.106CC..THydrogen-bonded Turntrans-65-16.5176.1-64.7-173.7000114.4L274 L277 G415 F419 M467 P469 A472L274-L417 HydrophobicContact CD2-CD1 3.72Å; L274-L417 HydrophobicContact CD2-CG 4.12Å; L277-L417 HydrophobicContact CD2-CD1 4.12Å; G415-L417 PolarHBondContact O-N 2.93Å; L417-F419 VanDerWaalsContact C-N 3.31Å; L417-M467 HydrophobicContact CD2-CB 4.19Å; L417-M467 HydrophobicContact CD2-CG 4.08Å; L417-P469 HydrophobicContact CD1-CB 4.36Å; L417-P469 HydrophobicContact CD1-CG 4.3Å; L417-A472 HydrophobicContact CD1-CB 3.72Å; L417-A472 HydrophobicContact CD2-CB 3.92Å; L417-A472 HydrophobicContact CG-CB 3.58Å
418E88.4Confident95.3Very high72 Ų7222.1 Ų22.134%0.33611%0.113SC..THydrogen-bonded Turntrans-79.4-15.5-179.7-57.9-177.789.700112.1I272 Q273 F377 N416I272-E418 VanDerWaalsContact CA-OE2 3.3Å; I272-E418 WeakPolarHBondContact CA-OE2 3.21Å; I272-E418 HydrophobicContact CG2-CG 4.37Å; Q273-E418 PolarHBondContact N-OE2 3.15Å; F377-E418 HydrophobicContact CD2-CB 4.09Å; F377-E418 HydrophobicContact CE2-CB 3.49Å; F377-E418 VanDerWaalsContact CE2-CB 3.49Å; F377-E418 HydrophobicContact CE2-CG 4.25Å; F377-E418 HydrophobicContact CZ-CB 4.08Å; F377-E418 HydrophobicContact CZ-CG 4.49Å; F377-E418 WeakPolarHBondContact CZ-OE2 3.48Å; N416-E418 PolarHBondContact O-N 2.99Å; N416-E418 WeakPolarHBondContact OD1-CB 3.22Å; N416-E418 PolarHBondContact OD1-N 2.96Å
419F92Very high95.4Very high37 Ų3721.3 Ų21.316%0.16211%0.107CC..  trans-151.8105-179.5-166.4-125.2000113.9P373 F377 V378 A381 N416 L417 D421 S422 Q423P373-F419 HydrophobicContact CB-CD2 3.74Å; P373-F419 HydrophobicContact CB-CE2 3.49Å; P373-F419 VanDerWaalsContact CB-CE2 3.49Å; P373-F419 HydrophobicContact CB-CZ 4.23Å; P373-F419 HydrophobicContact CG-CE2 4.04Å; F377-F419 HydrophobicContact CB-CB 3.62Å; F377-F419 HydrophobicContact CB-CD1 3.7Å; F377-F419 HydrophobicContact CB-CG 3.78Å; F377-F419 HydrophobicContact CD2-CB 4.11Å; F377-F419 HydrophobicContact CG-CB 4.09Å; F377-F419 WeakPolarHBondContact O-CD1 3.45Å; V378-F419 HydrophobicContact CG2-CE1 4.26Å; V378-F419 HydrophobicContact CG2-CZ 3.97Å; A381-F419 HydrophobicContact CB-CD1 4.29Å; A381-F419 HydrophobicContact CB-CE1 3.82Å; N416-F419 PolarHBondContact O-N 2.92Å; L417-F419 VanDerWaalsContact C-N 3.31Å; F419-D421 VanDerWaalsContact C-N 3.34Å; F419-D421 HydrophobicContact CD1-CB 4.35Å; F419-D421 HydrophobicContact CE1-CB 3.74Å; F419-D421 HydrophobicContact CZ-CB 3.86Å; F419-D421 PolarHBondContact O-N 3.43Å; F419-S422 WeakPolarHBondContact CD1-OG 3.46Å; F419-S422 WeakPolarHBondContact O-CB 3.45Å; F419-S422 PolarHBondContact O-N 3.12Å; F419-S422 VanDerWaalsContact O-N 3.1Å; F419-Q423 PolarHBondContact O-N 3.04Å
420S93.4Very high95.5Very high63 Ų6319.9 Ų19.944%0.44110%0.1SC..Hα-helixtrans-61.8-32.4-174.955.30000115.1Q423 R424S420-Q423 WeakPolarHBondContact O-CB 3.39Å; S420-Q423 PolarHBondContact O-N 2.81Å; S420-R424 WeakPolarHBondContact O-CB 3.38Å; S420-R424 PolarHBondContact O-N 3.07Å
421D93.8Very high95.5Very high57 Ų5721.7 Ų21.731%0.30511%0.108SC..Hα-helixtrans-70.5-32.8177.2-166.848.9000111.5A381 F419 Q423 R424 Q425A381-D421 HydrophobicContact CB-CB 4.33Å; F419-D421 VanDerWaalsContact C-N 3.34Å; F419-D421 HydrophobicContact CD1-CB 4.35Å; F419-D421 HydrophobicContact CE1-CB 3.74Å; F419-D421 HydrophobicContact CZ-CB 3.86Å; F419-D421 PolarHBondContact O-N 3.43Å; D421-Q423 VanDerWaalsContact C-N 3.3Å; D421-Q423 PolarHBondContact O-N 3.36Å; D421-R424 PolarHBondContact O-N 3.16Å; D421-Q425 WeakPolarHBondContact O-CB 3.37Å; D421-Q425 VanDerWaalsContact O-CG 3.27Å; D421-Q425 WeakPolarHBondContact O-CG 3.33Å; D421-Q425 PolarHBondContact O-N 3.31Å; D421-Q425 PolarHBondContact OD1-NE2 3.49Å
422S95.2Very high95.5Very high0 Ų023.9 Ų23.90%012%0.117CC..Hα-helixtrans-58.5-46170-82.70000111.1F377 Q380 A381 F419 A426F377-S422 PolarHBondContact O-OG 3.38Å; Q380-S422 PolarHBondContact OE1-OG 3.07Å; A381-S422 PolarHBondContact N-OG 3.11Å; F419-S422 WeakPolarHBondContact CD1-OG 3.46Å; F419-S422 WeakPolarHBondContact O-CB 3.45Å; F419-S422 PolarHBondContact O-N 3.12Å; F419-S422 VanDerWaalsContact O-N 3.1Å; S422-A426 WeakPolarHBondContact O-CB 3.47Å; S422-A426 PolarHBondContact O-N 3.46Å
423Q96.1Very high95.6Very high8 Ų823.7 Ų23.74%0.03712%0.116CC..Hα-helixtrans-59.8-52.4179-52.1-177.5-7900110.1M414 N416 F419 S420 D421 Q425 A426 S427 Y464 M467M414-Q423 WeakPolarHBondContact O-CG 3.3Å; M414-Q423 PolarHBondContact O-NE2 2.91Å; N416-Q423 HydrophobicContact CB-CG 4.49Å; N416-Q423 WeakPolarHBondContact O-CG 3.35Å; F419-Q423 PolarHBondContact O-N 3.04Å; S420-Q423 WeakPolarHBondContact O-CB 3.39Å; S420-Q423 PolarHBondContact O-N 2.81Å; D421-Q423 VanDerWaalsContact C-N 3.3Å; D421-Q423 PolarHBondContact O-N 3.36Å; Q423-Q425 PolarHBondContact O-N 3.15Å; Q423-A426 PolarHBondContact O-N 3.46Å; Q423-S427 WeakPolarHBondContact O-CB 3.44Å; Q423-S427 PolarHBondContact O-N 3.39Å; Q423-S427 PolarHBondContact O-OG 2.77Å; Q423-Y464 HydrophobicContact CB-CD1 4.34Å; Q423-Y464 HydrophobicContact CB-CD2 4.37Å; Q423-Y464 HydrophobicContact CB-CG 3.9Å; Q423-M467 VanDerWaalsContact NE2-CE 3.27Å
424R97.3Very high95.6Very high86 Ų8624 Ų2433%0.32512%0.118SC..Hα-helixtrans-57.4-50.9-179.6-173171.2175.5-98.1-5.1112.8S420 D421 A426 S427 L428 Y464S420-R424 WeakPolarHBondContact O-CB 3.38Å; S420-R424 PolarHBondContact O-N 3.07Å; D421-R424 PolarHBondContact O-N 3.16Å; R424-A426 VanDerWaalsContact C-N 3.35Å; R424-S427 PolarHBondContact O-N 3.05Å; R424-L428 HydrophobicContact CG-CD1 4.26Å; R424-L428 VanDerWaalsContact O-CG 3.32Å; R424-L428 WeakPolarHBondContact O-CG 3.41Å; R424-L428 PolarHBondContact O-N 3.15Å; R424-Y464 HydrophobicContact CB-CD1 4.19Å; R424-Y464 HydrophobicContact CB-CE1 3.55Å; R424-Y464 HydrophobicContact CG-CE1 3.91Å
425Q97.7Very high95.6Very high13 Ų1330.1 Ų30.16%0.06115%0.147CC..Hα-helixtrans-67.4-37.2-177.7-61.7-50.7-40.400111.7A381 A384 K385 D421 Q423 A429A381-Q425 HydrophobicContact CB-CG 4.24Å; A381-Q425 WeakPolarHBondContact O-CB 3.47Å; A384-Q425 HydrophobicContact CB-CB 3.8Å; K385-Q425 HydrophobicContact CB-CB 4.29Å; K385-Q425 HydrophobicContact CB-CG 4.06Å; D421-Q425 WeakPolarHBondContact O-CB 3.37Å; D421-Q425 VanDerWaalsContact O-CG 3.27Å; D421-Q425 WeakPolarHBondContact O-CG 3.33Å; D421-Q425 PolarHBondContact O-N 3.31Å; D421-Q425 PolarHBondContact OD1-NE2 3.49Å; Q423-Q425 PolarHBondContact O-N 3.15Å; Q425-A429 WeakPolarHBondContact O-CB 3.47Å; Q425-A429 PolarHBondContact O-N 3.33Å
426A97.9Very high95.7Very high0 Ų032.8 Ų32.80%016%0.163CC..Hα-helixtrans-67.7-42176.900000112.1A384 L410 A413 M414 S422 Q423 R424 A429 L430A384-A426 HydrophobicContact CB-CB 4.33Å; L410-A426 HydrophobicContact CD2-CB 4.34Å; L410-A426 WeakPolarHBondContact O-CB 3.38Å; A413-A426 HydrophobicContact CB-CB 3.71Å; M414-A426 HydrophobicContact CB-CB 4.13Å; S422-A426 WeakPolarHBondContact O-CB 3.47Å; S422-A426 PolarHBondContact O-N 3.46Å; Q423-A426 PolarHBondContact O-N 3.46Å; R424-A426 VanDerWaalsContact C-N 3.35Å; A426-A429 WeakPolarHBondContact O-CB 3.44Å; A426-A429 PolarHBondContact O-N 3.04Å; A426-L430 PolarHBondContact O-N 3.49Å
427S98Very high95.9Very high0 Ų033.6 Ų33.60%017%0.166CC..Hα-helixtrans-63.4-44.6175.7-64.10000112.4M414 Q423 R424 A429 L430 E431 F456 P460 H463M414-S427 VanDerWaalsContact CG-OG 3.23Å; M414-S427 WeakPolarHBondContact CG-OG 3.34Å; M414-S427 PolarHBondContact SD-OG 3.11Å; Q423-S427 WeakPolarHBondContact O-CB 3.44Å; Q423-S427 PolarHBondContact O-N 3.39Å; Q423-S427 PolarHBondContact O-OG 2.77Å; R424-S427 PolarHBondContact O-N 3.05Å; S427-A429 VanDerWaalsContact C-N 3.3Å; S427-A429 PolarHBondContact O-N 3.43Å; S427-L430 PolarHBondContact O-N 2.99Å; S427-E431 VanDerWaalsContact O-CB 3.31Å; S427-E431 WeakPolarHBondContact O-CB 3.41Å; S427-E431 PolarHBondContact O-N 3.28Å; S427-F456 WeakPolarHBondContact O-CE2 3.31Å; S427-P460 WeakPolarHBondContact CB-O 3.26Å; S427-H463 PolarHBondContact OG-CE1 3.38Å
428L98Very high96.1Very high29 Ų2936 Ų3615%0.15218%0.184CC..Hα-helixtrans-61-39.9175-72.6173.7000112R424 Y432 D461R424-L428 HydrophobicContact CG-CD1 4.26Å; R424-L428 VanDerWaalsContact O-CG 3.32Å; R424-L428 WeakPolarHBondContact O-CG 3.41Å; R424-L428 PolarHBondContact O-N 3.15Å; L428-Y432 PolarHBondContact O-N 3.04Å; L428-D461 HydrophobicContact CD2-CB 4.03Å; L428-D461 HydrophobicContact CG-CB 4.5Å
429A98.2Very high96.4Very high3 Ų335.9 Ų35.93%0.02519%0.186CC..Hα-helixtrans-63.6-4617500000111.7H388 L410 Q425 A426 S427 L433H388-A429 HydrophobicContact CB-CB 3.83Å; L410-A429 HydrophobicContact CD1-CB 4.15Å; L410-A429 HydrophobicContact CD2-CB 3.8Å; Q425-A429 WeakPolarHBondContact O-CB 3.47Å; Q425-A429 PolarHBondContact O-N 3.33Å; A426-A429 WeakPolarHBondContact O-CB 3.44Å; A426-A429 PolarHBondContact O-N 3.04Å; S427-A429 VanDerWaalsContact C-N 3.3Å; S427-A429 PolarHBondContact O-N 3.43Å; A429-L433 WeakPolarHBondContact O-CG 3.26Å; A429-L433 PolarHBondContact O-N 2.9Å
430L97.7Very high96.7Very high0 Ų034.1 Ų34.10%018%0.178CC..Hα-helixtrans-64.1-42.4177.7-81167.2000112.1L407 L410 L411 M414 A426 S427 Y432 L433 C434 V444 F456L407-L430 HydrophobicContact CD2-CD2 4Å; L410-L430 HydrophobicContact CB-CD1 3.91Å; L410-L430 HydrophobicContact CB-CD2 3.83Å; L410-L430 HydrophobicContact CB-CG 3.67Å; L410-L430 HydrophobicContact CD1-CD2 4.05Å; L410-L430 HydrophobicContact CD1-CG 4.13Å; L410-L430 HydrophobicContact CG-CG 4.48Å; L411-L430 HydrophobicContact CD2-CD1 3.87Å; L411-L430 HydrophobicContact CG-CD1 4.11Å; M414-L430 HydrophobicContact CB-CD1 4.45Å; M414-L430 HydrophobicContact SD-CD1 4.04Å; A426-L430 PolarHBondContact O-N 3.49Å; S427-L430 PolarHBondContact O-N 2.99Å; L430-Y432 VanDerWaalsContact C-N 3.32Å; L430-Y432 PolarHBondContact O-N 2.76Å; L430-L433 PolarHBondContact O-N 3.45Å; L430-C434 PolarHBondContact O-N 3.44Å; L430-C434 PolarHBondContact O-SG 3.18Å; L430-C434 VanDerWaalsContact O-SG 3.37Å; L430-V444 HydrophobicContact CD2-CG2 4.17Å; L430-F456 HydrophobicContact CB-CE2 4.39Å; L430-F456 HydrophobicContact CB-CZ 3.82Å
431E97.5Very high96.8Very high40 Ų4033.4 Ų33.419%0.18717%0.169CC..Hα-helixtrans-57.4-49.1-179179.7-136.6178.100110S427 L433 C434 Q435 F456 P460S427-E431 VanDerWaalsContact O-CB 3.31Å; S427-E431 WeakPolarHBondContact O-CB 3.41Å; S427-E431 PolarHBondContact O-N 3.28Å; E431-L433 VanDerWaalsContact C-N 3.3Å; E431-L433 PolarHBondContact O-N 3.43Å; E431-C434 PolarHBondContact O-N 3.43Å; E431-Q435 WeakPolarHBondContact O-CB 3.49Å; E431-Q435 WeakPolarHBondContact O-CG 3.49Å; E431-Q435 PolarHBondContact O-N 2.94Å; E431-Q435 PolarHBondContact OE1-NE2 3.25Å; E431-F456 HydrophobicContact CB-CE2 4.18Å; E431-F456 HydrophobicContact CB-CZ 3.98Å; E431-P460 HydrophobicContact CB-CB 3.85Å; E431-P460 HydrophobicContact CB-CG 4.41Å; E431-P460 HydrophobicContact CG-CB 3.82Å; E431-P460 HydrophobicContact CG-CG 3.85Å
432Y97.8Very high96.9Very high46 Ų4636.5 Ų36.518%0.1818%0.182CC..Hα-helixtrans-57.3-43.9175.7175.5-96.5000112.1S391 Q392 L428 L430 T436S391-Y432 VanDerWaalsContact C-CE1 3.44Å; S391-Y432 VanDerWaalsContact O-CE1 3.29Å; S391-Y432 WeakPolarHBondContact O-CE1 3.35Å; S391-Y432 PolarHBondContact O-OH 3.27Å; Q392-Y432 WeakPolarHBondContact CA-OH 3.42Å; Q392-Y432 HydrophobicContact CB-CE2 4.47Å; Q392-Y432 HydrophobicContact CG-CD1 4.45Å; Q392-Y432 HydrophobicContact CG-CD2 3.81Å; Q392-Y432 HydrophobicContact CG-CE1 4.37Å; Q392-Y432 HydrophobicContact CG-CE2 3.7Å; Q392-Y432 HydrophobicContact CG-CG 4.18Å; L428-Y432 PolarHBondContact O-N 3.04Å; L430-Y432 VanDerWaalsContact C-N 3.32Å; L430-Y432 PolarHBondContact O-N 2.76Å; Y432-T436 VanDerWaalsContact O-CB 3.26Å; Y432-T436 WeakPolarHBondContact O-CB 3.42Å; Y432-T436 PolarHBondContact O-N 2.9Å; Y432-T436 PolarHBondContact O-OG1 3.45Å
433L97.6Very high96.9Very high1 Ų138.4 Ų38.41%0.00519%0.192CC..Hα-helixtrans-66.8-42.7-179.9-62.7176.2000111.9S398 I402 L407 L410 A429 L430 E431 T436 Y437 V440S398-L433 WeakPolarHBondContact OG-CD2 3.45Å; I402-L433 HydrophobicContact CD1-CD2 4.13Å; I402-L433 HydrophobicContact CG1-CD1 4.35Å; I402-L433 HydrophobicContact CG1-CD2 4.24Å; L407-L433 HydrophobicContact CD2-CD1 3.77Å; L410-L433 HydrophobicContact CD1-CD1 3.85Å; A429-L433 WeakPolarHBondContact O-CG 3.26Å; A429-L433 PolarHBondContact O-N 2.9Å; L430-L433 PolarHBondContact O-N 3.45Å; E431-L433 VanDerWaalsContact C-N 3.3Å; E431-L433 PolarHBondContact O-N 3.43Å; L433-T436 PolarHBondContact O-N 3.32Å; L433-Y437 HydrophobicContact CD2-CE2 4.23Å; L433-Y437 WeakPolarHBondContact O-CD2 3.3Å; L433-Y437 PolarHBondContact O-N 3.44Å; L433-V440 HydrophobicContact CB-CG1 4.09Å
434C96.5Very high96.9Very high6 Ų638 Ų384%0.04119%0.19CC..Hα-helixtrans-62-46175.8-70.30000111.7L430 E431 T436 Y437 D441L430-C434 PolarHBondContact O-N 3.44Å; L430-C434 PolarHBondContact O-SG 3.18Å; L430-C434 VanDerWaalsContact O-SG 3.37Å; E431-C434 PolarHBondContact O-N 3.43Å; C434-T436 VanDerWaalsContact C-N 3.27Å; C434-T436 PolarHBondContact O-N 3.28Å; C434-Y437 CarbonylContact O-C 3.6Å; C434-D441 HydrophobicContact CB-CB 3.86Å; C434-D441 WeakPolarHBondContact CB-OD1 3.3Å
435Q96.3Very high96.8Very high129 Ų12935.5 Ų35.560%0.60319%0.185SC*.Hα-helixtrans-64.2-33.8177.5-73.2177.63.200112.6E431E431-Q435 WeakPolarHBondContact O-CB 3.49Å; E431-Q435 WeakPolarHBondContact O-CG 3.49Å; E431-Q435 PolarHBondContact O-N 2.94Å; E431-Q435 PolarHBondContact OE1-NE2 3.25Å
436T96.8Very high96.7Very high56 Ų5643 Ų4334%0.34422%0.22SC..Hα-helixtrans-82.1-35.3-177.3-55.50000112.2Y432 L433 C434Y432-T436 VanDerWaalsContact O-CB 3.26Å; Y432-T436 WeakPolarHBondContact O-CB 3.42Å; Y432-T436 PolarHBondContact O-N 2.9Å; Y432-T436 PolarHBondContact O-OG1 3.45Å; L433-T436 PolarHBondContact O-N 3.32Å; C434-T436 VanDerWaalsContact C-N 3.27Å; C434-T436 PolarHBondContact O-N 3.28Å
437Y96.6Very high96.6Very high18 Ų1844.5 Ų44.57%0.07123%0.232CC..  trans-128.5103.7-174-52.3-75.9000110.9S395 S398 R399 I402 L433 C434 L439 V440 D441 L487S395-Y437 PolarHBondContact O-OH 2.95Å; S398-Y437 WeakPolarHBondContact CB-OH 3.35Å; S398-Y437 VanDerWaalsContact OG-CE2 3.24Å; S398-Y437 WeakPolarHBondContact OG-CE2 3.27Å; S398-Y437 PolarHBondContact OG-OH 2.89Å; R399-Y437 HydrophobicContact CG-CE1 4.09Å; I402-Y437 HydrophobicContact CD1-CD2 3.5Å; I402-Y437 VanDerWaalsContact CD1-CD2 3.5Å; I402-Y437 HydrophobicContact CD1-CE2 3.54Å; I402-Y437 HydrophobicContact CD1-CG 4.21Å; L433-Y437 HydrophobicContact CD2-CE2 4.23Å; L433-Y437 WeakPolarHBondContact O-CD2 3.3Å; L433-Y437 PolarHBondContact O-N 3.44Å; C434-Y437 CarbonylContact O-C 3.6Å; Y437-L439 VanDerWaalsContact C-N 3.26Å; Y437-L439 PolarHBondContact O-N 2.61Å; Y437-L439 VanDerWaalsContact O-N 3.17Å; Y437-V440 HydrophobicContact CD2-CG2 4.4Å; Y437-V440 HydrophobicContact CG-CG2 4.35Å; Y437-V440 WeakPolarHBondContact O-CA 3.33Å; Y437-V440 VanDerWaalsContact O-CB 3.31Å; Y437-V440 WeakPolarHBondContact O-CB 3.5Å; Y437-V440 PolarHBondContact O-N 3.29Å; Y437-D441 PolarHBondContact O-N 3.01Å; Y437-L487 HydrophobicContact CD1-CD2 3.6Å; Y437-L487 HydrophobicContact CE1-CD2 4.39Å; Y437-L487 HydrophobicContact CG-CD2 3.83Å
438P95.2Very high96.5Very high92 Ų9244.8 Ų44.860%0.59723%0.234SC*.Hα-helixtrans-55.2-37.8-178.1-29.135.7000114.2V440 D441 E442P438-V440 VanDerWaalsContact C-N 3.26Å; P438-V440 PolarHBondContact O-N 2.91Å; P438-D441 WeakPolarHBondContact O-CB 3.32Å; P438-D441 PolarHBondContact O-N 3.37Å; P438-D441 VanDerWaalsContact O-N 3.12Å; P438-E442 PolarHBondContact O-N 3.21Å
439L95.5Very high96.3Very high70 Ų7044.6 Ų44.637%0.36624%0.239SC..Hα-helixtrans-62.5-33175.7-68.1173.9000112.6Y437 I443Y437-L439 VanDerWaalsContact C-N 3.26Å; Y437-L439 PolarHBondContact O-N 2.61Å; Y437-L439 VanDerWaalsContact O-N 3.17Å; L439-I443 WeakPolarHBondContact O-CD1 3.47Å; L439-I443 WeakPolarHBondContact O-CG1 3.47Å; L439-I443 PolarHBondContact O-N 3.23Å
440V96.7Very high96Very high0 Ų049.4 Ų49.40%027%0.27CS..Hα-helixtrans-69.2-41.3174.81730000110I402 L407 L433 Y437 P438 E442 I443 V444 Y482I402-V440 HydrophobicContact CD1-CG2 3.91Å; I402-V440 HydrophobicContact CG2-CG2 4.36Å; L407-V440 HydrophobicContact CD1-CB 4.48Å; L407-V440 HydrophobicContact CD1-CG1 3.79Å; L407-V440 HydrophobicContact CD1-CG2 4.24Å; L407-V440 HydrophobicContact CD2-CG1 3.59Å; L407-V440 HydrophobicContact CG-CG1 4.36Å; L433-V440 HydrophobicContact CB-CG1 4.09Å; Y437-V440 HydrophobicContact CD2-CG2 4.4Å; Y437-V440 HydrophobicContact CG-CG2 4.35Å; Y437-V440 WeakPolarHBondContact O-CA 3.33Å; Y437-V440 VanDerWaalsContact O-CB 3.31Å; Y437-V440 WeakPolarHBondContact O-CB 3.5Å; Y437-V440 PolarHBondContact O-N 3.29Å; P438-V440 VanDerWaalsContact C-N 3.26Å; P438-V440 PolarHBondContact O-N 2.91Å; V440-E442 PolarHBondContact O-N 2.9Å; V440-I443 PolarHBondContact O-N 3.13Å; V440-V444 HydrophobicContact CG1-CG2 4.14Å; V440-V444 WeakPolarHBondContact O-CB 3.49Å; V440-V444 VanDerWaalsContact O-CG2 3.26Å; V440-V444 WeakPolarHBondContact O-CG2 3.39Å; V440-V444 PolarHBondContact O-N 3.39Å; V440-Y482 HydrophobicContact CG2-CE1 4.09Å
441D96.3Very high95.7Very high47 Ų4753.8 Ų53.825%0.25130%0.296SS..Hα-helixtrans-60.8-44.3176.8-17154.7000112.1C434 Y437 P438 I443 V444 S445 H453C434-D441 HydrophobicContact CB-CB 3.86Å; C434-D441 WeakPolarHBondContact CB-OD1 3.3Å; Y437-D441 PolarHBondContact O-N 3.01Å; P438-D441 WeakPolarHBondContact O-CB 3.32Å; P438-D441 PolarHBondContact O-N 3.37Å; P438-D441 VanDerWaalsContact O-N 3.12Å; D441-I443 PolarHBondContact O-N 2.78Å; D441-V444 PolarHBondContact O-N 2.8Å; D441-S445 VanDerWaalsContact O-CB 3.28Å; D441-S445 WeakPolarHBondContact O-CB 3.47Å; D441-S445 PolarHBondContact O-N 3.4Å; D441-H453 IonicContact OD1-CD2 2.68Å; D441-H453 IonicContact OD1-CE1 3.8Å; D441-H453 PolarHBondContact OD1-CE1 2.9Å; D441-H453 IonicContact OD1-NE2 3.8Å; D441-H453 PolarHBondContact OD1-NE2 3.32Å; D441-H453 IonicContact OD2-CE1 2.66Å; D441-H453 IonicContact OD2-NE2 3.61Å
442E95.5Very high95.6Very high123 Ų12352.2 Ų52.258%0.57529%0.289SS*.Hα-helixtrans-57.5-47175.5-71175.2-169.900112P438 V440 S445 E446P438-E442 PolarHBondContact O-N 3.21Å; V440-E442 PolarHBondContact O-N 2.9Å; E442-S445 PolarHBondContact O-N 3.12Å; E442-E446 PolarHBondContact O-N 2.98Å
443I95.8Very high95.5Very high40 Ų4051.1 Ų51.121%0.20529%0.286CS..Hα-helixtrans-65.8-41.4-179.8-68.3167.5000111.5L439 V440 D441 A447 V480 Y482L439-I443 WeakPolarHBondContact O-CD1 3.47Å; L439-I443 WeakPolarHBondContact O-CG1 3.47Å; L439-I443 PolarHBondContact O-N 3.23Å; V440-I443 PolarHBondContact O-N 3.13Å; D441-I443 PolarHBondContact O-N 2.78Å; I443-A447 WeakPolarHBondContact O-CB 3.35Å; I443-A447 PolarHBondContact O-N 3.48Å; I443-V480 HydrophobicContact CG2-CG1 3.8Å; I443-V480 HydrophobicContact CG2-CG2 4.37Å; I443-Y482 HydrophobicContact CD1-CD1 3.63Å; I443-Y482 HydrophobicContact CD1-CD2 3.33Å; I443-Y482 HydrophobicContact CD1-CE1 3.89Å; I443-Y482 HydrophobicContact CD1-CE2 3.64Å; I443-Y482 HydrophobicContact CD1-CG 3.3Å
444V96Very high95.3Very high0 Ų057.8 Ų57.80%032%0.317CS..Hα-helixtrans-67-42.6177.5168.70000110.1L411 L430 V440 D441 E446 A447 M448 F456L411-V444 HydrophobicContact CD2-CG1 4.37Å; L430-V444 HydrophobicContact CD2-CG2 4.17Å; V440-V444 HydrophobicContact CG1-CG2 4.14Å; V440-V444 WeakPolarHBondContact O-CB 3.49Å; V440-V444 VanDerWaalsContact O-CG2 3.26Å; V440-V444 WeakPolarHBondContact O-CG2 3.39Å; V440-V444 PolarHBondContact O-N 3.39Å; D441-V444 PolarHBondContact O-N 2.8Å; V444-E446 PolarHBondContact O-N 3.37Å; V444-A447 PolarHBondContact O-N 2.88Å; V444-M448 HydrophobicContact CG1-CG 4.23Å; V444-M448 HydrophobicContact CG1-SD 3.33Å; V444-M448 WeakPolarHBondContact CG1-SD 3.22Å; V444-M448 WeakPolarHBondContact O-CB 3.16Å; V444-M448 WeakPolarHBondContact O-CG 3.33Å; V444-M448 PolarHBondContact O-N 2.85Å; V444-F456 HydrophobicContact CG1-CE1 4.37Å
445S96.1Very high95.2Very high32 Ų3261.1 Ų61.122%0.22433%0.332CS..Hα-helixtrans-60.7-43.6176.2-162.80000111.9D441 E442 A447 G449 H453D441-S445 VanDerWaalsContact O-CB 3.28Å; D441-S445 WeakPolarHBondContact O-CB 3.47Å; D441-S445 PolarHBondContact O-N 3.4Å; E442-S445 PolarHBondContact O-N 3.12Å; S445-A447 PolarHBondContact O-N 3.34Å; S445-G449 WeakPolarHBondContact O-CA 3.42Å; S445-G449 PolarHBondContact O-N 3.19Å; S445-H453 PolarHBondContact OG-ND1 3.22Å; S445-H453 VanDerWaalsContact OG-ND1 3.15Å
446E95.7Very high95.1Very high171 Ų17155 Ų5580%0.79930%0.303SS*.Hα-helixtrans-62-42.2175.3-173.6-179.7178.700111.8E442 V444E442-E446 PolarHBondContact O-N 2.98Å; V444-E446 PolarHBondContact O-N 3.37Å
447A95Very high95Very high31 Ų3155.5 Ų55.526%0.25630%0.303SS..Hα-helixtrans-69.6-37.6-177.900000113.7L411 I443 V444 S445 I474 V480L411-A447 HydrophobicContact CD1-CB 4.02Å; I443-A447 WeakPolarHBondContact O-CB 3.35Å; I443-A447 PolarHBondContact O-N 3.48Å; V444-A447 PolarHBondContact O-N 2.88Å; S445-A447 PolarHBondContact O-N 3.34Å; A447-I474 WeakPolarHBondContact O-CG2 3.27Å; A447-V480 HydrophobicContact CB-CG2 3.45Å; A447-V480 VanDerWaalsContact CB-CG2 3.45Å
448M94.8Very high94.9Very high7 Ų762.2 Ų62.23%0.03433%0.333CS..Hα-helixtrans-87.5-26.5-176.6-59.8172.292.500112.7L411 M414 V444 L452 H453 F456 L475L411-M448 HydrophobicContact CD2-CE 4.42Å; L411-M448 HydrophobicContact CD2-CG 3.86Å; L411-M448 HydrophobicContact CD2-SD 4.1Å; M414-M448 HydrophobicContact CE-CE 3.1Å; M414-M448 HydrophobicContact SD-CE 3.77Å; V444-M448 HydrophobicContact CG1-CG 4.23Å; V444-M448 HydrophobicContact CG1-SD 3.33Å; V444-M448 WeakPolarHBondContact CG1-SD 3.22Å; V444-M448 WeakPolarHBondContact O-CB 3.16Å; V444-M448 WeakPolarHBondContact O-CG 3.33Å; V444-M448 PolarHBondContact O-N 2.85Å; M448-L452 HydrophobicContact CB-CB 4.36Å; M448-L452 HydrophobicContact CB-CD2 4.15Å; M448-L452 HydrophobicContact CB-CG 4.3Å; M448-L452 HydrophobicContact CE-CD2 4.25Å; M448-L452 HydrophobicContact CE-CG 4.03Å; M448-H453 HydrophobicContact CB-CB 4.45Å; M448-F456 HydrophobicContact CE-CB 3.96Å; M448-F456 HydrophobicContact CE-CD1 4.14Å; M448-F456 HydrophobicContact CE-CG 4.01Å; M448-F456 HydrophobicContact SD-CD1 4.12Å; M448-L475 HydrophobicContact CE-CD2 3.76Å; M448-L475 HydrophobicContact CG-CD2 3.76Å
449G94Very high94.8Very high24 Ų2461.3 Ų61.325%0.24732%0.323CS..  trans81155.9-165.500000112.4S445 V451 L452 H453S445-G449 WeakPolarHBondContact O-CA 3.42Å; S445-G449 PolarHBondContact O-N 3.19Å; G449-V451 VanDerWaalsContact C-N 3.35Å; G449-V451 PolarHBondContact O-N 3.05Å; G449-L452 PolarHBondContact O-N 3.06Å; G449-H453 WeakPolarHBondContact O-CB 3.48Å; G449-H453 PolarHBondContact O-N 2.91Å
450P91.8Very high94.6Very high104 Ų10458.7 Ų58.768%0.67531%0.31SS*.Hα-helixtrans-64.6-35.3-166.324-34.5000113.7E454P450-E454 WeakPolarHBondContact O-CB 3.48Å; P450-E454 PolarHBondContact O-N 3.36Å
451V92.5Very high94.4Very high93 Ų9362.1 Ų62.156%0.56433%0.328SS*.Hα-helixtrans-67.8-51.2-177.9-179.40000110.8G449 H453 E454 E455G449-V451 VanDerWaalsContact C-N 3.35Å; G449-V451 PolarHBondContact O-N 3.05Å; V451-H453 VanDerWaalsContact C-N 3.33Å; V451-H453 PolarHBondContact O-N 3.41Å; V451-E454 PolarHBondContact O-N 3.32Å; V451-E455 WeakPolarHBondContact O-CG 3.49Å; V451-E455 PolarHBondContact O-N 2.94Å; V451-E455 VanDerWaalsContact O-N 3.14Å
452L94Very high94.2Very high7 Ų761.9 Ų61.94%0.03733%0.33CS..Hα-helixtrans-68-35.7179.9179.460.8000111.3M448 G449 E455 F456 M467 Q471 L475M448-L452 HydrophobicContact CB-CB 4.36Å; M448-L452 HydrophobicContact CB-CD2 4.15Å; M448-L452 HydrophobicContact CB-CG 4.3Å; M448-L452 HydrophobicContact CE-CD2 4.25Å; M448-L452 HydrophobicContact CE-CG 4.03Å; G449-L452 PolarHBondContact O-N 3.06Å; L452-E455 PolarHBondContact O-N 2.97Å; L452-F456 VanDerWaalsContact O-CB 3.27Å; L452-F456 WeakPolarHBondContact O-CB 3.14Å; L452-F456 PolarHBondContact O-N 2.87Å; L452-M467 HydrophobicContact CD1-SD 4.32Å; L452-Q471 HydrophobicContact CD1-CB 4.21Å; L452-Q471 HydrophobicContact CD1-CG 4.11Å; L452-Q471 HydrophobicContact CD2-CB 4.02Å; L452-Q471 HydrophobicContact CD2-CG 4.23Å; L452-L475 HydrophobicContact CD2-CD1 4.17Å; L452-L475 HydrophobicContact CD2-CD2 3.99Å; L452-L475 HydrophobicContact CD2-CG 3.97Å
453H95.9Very high94Very high22 Ų2256.6 Ų56.610%0.10231%0.305CS..Hα-helixtrans-63.4-43.7174.3-179.8-105000112.2D441 S445 M448 G449 V451 E455 F456 I457D441-H453 IonicContact OD1-CD2 2.68Å; D441-H453 IonicContact OD1-CE1 3.8Å; D441-H453 PolarHBondContact OD1-CE1 2.9Å; D441-H453 IonicContact OD1-NE2 3.8Å; D441-H453 PolarHBondContact OD1-NE2 3.32Å; D441-H453 IonicContact OD2-CE1 2.66Å; D441-H453 IonicContact OD2-NE2 3.61Å; S445-H453 PolarHBondContact OG-ND1 3.22Å; S445-H453 VanDerWaalsContact OG-ND1 3.15Å; M448-H453 HydrophobicContact CB-CB 4.45Å; G449-H453 WeakPolarHBondContact O-CB 3.48Å; G449-H453 PolarHBondContact O-N 2.91Å; V451-H453 VanDerWaalsContact C-N 3.33Å; V451-H453 PolarHBondContact O-N 3.41Å; H453-E455 PolarHBondContact O-N 3.33Å; H453-F456 WeakPolarHBondContact O-CB 3.26Å; H453-F456 PolarHBondContact O-N 2.71Å; H453-I457 WeakPolarHBondContact O-CG1 3.33Å; H453-I457 PolarHBondContact O-N 3Å
454E94.4Very high93.8Very high142 Ų14256.3 Ų56.366%0.66430%0.302SS*.Hα-helixtrans-61.3-44.2176.6-174.8179.8178.500111.9P450 V451 K458P450-E454 WeakPolarHBondContact O-CB 3.48Å; P450-E454 PolarHBondContact O-N 3.36Å; V451-E454 PolarHBondContact O-N 3.32Å; E454-K458 WeakPolarHBondContact O-CB 3.17Å; E454-K458 PolarHBondContact O-N 3.37Å; E454-K458 VanDerWaalsContact O-N 3.11Å
455E93.7Very high93.5Very high75 Ų7562.5 Ų62.535%0.3533%0.334SS..Hα-helixtrans-60.8-44.8175.7-71.8173.3176.900111.8V451 L452 H453 K458 N459 Q471V451-E455 WeakPolarHBondContact O-CG 3.49Å; V451-E455 PolarHBondContact O-N 2.94Å; V451-E455 VanDerWaalsContact O-N 3.14Å; L452-E455 PolarHBondContact O-N 2.97Å; H453-E455 PolarHBondContact O-N 3.33Å; E455-K458 PolarHBondContact O-N 3Å; E455-N459 PolarHBondContact O-N 3.46Å; E455-N459 VanDerWaalsContact O-N 3.13Å; E455-Q471 PolarHBondContact OE2-NE2 3.07Å; E455-Q471 VanDerWaalsContact OE2-NE2 3.12Å
456F95.2Very high93.2Very high0 Ų068.4 Ų68.40%036%0.359CS..Hα-helixtrans-61.2-51.4177.8159.4-116.3000112.3M414 S427 L430 E431 V444 M448 L452 H453 K458 N459 P460 H463M414-F456 HydrophobicContact CE-CB 4.36Å; M414-F456 HydrophobicContact CE-CD2 4.22Å; M414-F456 HydrophobicContact CE-CG 4.41Å; M414-F456 HydrophobicContact SD-CD2 4.25Å; M414-F456 HydrophobicContact SD-CE2 4.46Å; S427-F456 WeakPolarHBondContact O-CE2 3.31Å; L430-F456 HydrophobicContact CB-CE2 4.39Å; L430-F456 HydrophobicContact CB-CZ 3.82Å; E431-F456 HydrophobicContact CB-CE2 4.18Å; E431-F456 HydrophobicContact CB-CZ 3.98Å; V444-F456 HydrophobicContact CG1-CE1 4.37Å; M448-F456 HydrophobicContact CE-CB 3.96Å; M448-F456 HydrophobicContact CE-CD1 4.14Å; M448-F456 HydrophobicContact CE-CG 4.01Å; M448-F456 HydrophobicContact SD-CD1 4.12Å; L452-F456 VanDerWaalsContact O-CB 3.27Å; L452-F456 WeakPolarHBondContact O-CB 3.14Å; L452-F456 PolarHBondContact O-N 2.87Å; H453-F456 WeakPolarHBondContact O-CB 3.26Å; H453-F456 PolarHBondContact O-N 2.71Å; F456-K458 PolarHBondContact O-N 3.32Å; F456-N459 CarbonylContact O-C 3.43Å; F456-N459 PolarHBondContact O-N 2.87Å; F456-P460 HydrophobicContact CD2-CB 4.36Å; F456-P460 HydrophobicContact CE2-CB 4.11Å; F456-P460 VanDerWaalsContact O-CA 3.24Å; F456-P460 WeakPolarHBondContact O-CA 3.14Å; F456-P460 WeakPolarHBondContact O-CD 3.41Å; F456-P460 VanDerWaalsContact O-N 3.07Å; F456-H463 AromaticContact CD2-CE1 3.72Å
457I94.3Very high93Very high68 Ų6861.1 Ų61.135%0.34933%0.325SS..Hα-helixtrans-63.4-33.4-179.2-68.1-63.8000111.4H453H453-I457 WeakPolarHBondContact O-CG1 3.33Å; H453-I457 PolarHBondContact O-N 3Å
458K93.7Very high92.9Very high159 Ų15962.7 Ų62.769%0.69133%0.331SS*.Hα-helixtrans-72.8-40.8-179.5-170.4178-179.4178.80113.1E454 E455 F456E454-K458 WeakPolarHBondContact O-CB 3.17Å; E454-K458 PolarHBondContact O-N 3.37Å; E454-K458 VanDerWaalsContact O-N 3.11Å; E455-K458 PolarHBondContact O-N 3Å; F456-K458 PolarHBondContact O-N 3.32Å
459N93.3Very high92.7Very high72 Ų7264 Ų6439%0.38534%0.34SS..  trans-139.470.1-176.9-56.1-66.1000111.5E455 F456 D461 S462 H463E455-N459 PolarHBondContact O-N 3.46Å; E455-N459 VanDerWaalsContact O-N 3.13Å; F456-N459 CarbonylContact O-C 3.43Å; F456-N459 PolarHBondContact O-N 2.87Å; N459-D461 PolarHBondContact O-N 3.26Å; N459-D461 VanDerWaalsContact O-N 3.15Å; N459-S462 PolarHBondContact O-N 3.1Å; N459-H463 WeakPolarHBondContact O-CB 3.41Å; N459-H463 PolarHBondContact O-N 3.41Å; N459-H463 PolarHBondContact O-ND1 3.24Å
460P91.6Very high92.6Very high15 Ų1568.3 Ų68.310%0.09736%0.357CS..THydrogen-bonded Turntrans-63.2-25.8-172.124.4-34.6000113.2S427 E431 F456 H463S427-P460 WeakPolarHBondContact CB-O 3.26Å; E431-P460 HydrophobicContact CB-CB 3.85Å; E431-P460 HydrophobicContact CB-CG 4.41Å; E431-P460 HydrophobicContact CG-CB 3.82Å; E431-P460 HydrophobicContact CG-CG 3.85Å; F456-P460 HydrophobicContact CD2-CB 4.36Å; F456-P460 HydrophobicContact CE2-CB 4.11Å; F456-P460 VanDerWaalsContact O-CA 3.24Å; F456-P460 WeakPolarHBondContact O-CA 3.14Å; F456-P460 WeakPolarHBondContact O-CD 3.41Å; F456-P460 VanDerWaalsContact O-N 3.07Å; P460-H463 PolarHBondContact O-CE1 3.22Å; P460-H463 PolarHBondContact O-ND1 3.44Å
461D92.5Very high92.6Very high72 Ų7264.7 Ų64.739%0.38533%0.331SS..THydrogen-bonded Turntrans-96.72-177.772.4-32.7000114.7L428 N459 Y464L428-D461 HydrophobicContact CD2-CB 4.03Å; L428-D461 HydrophobicContact CG-CB 4.5Å; N459-D461 PolarHBondContact O-N 3.26Å; N459-D461 VanDerWaalsContact O-N 3.15Å; D461-Y464 WeakPolarHBondContact O-CE1 3.41Å
462S93.5Very high92.7Very high42 Ų4260.3 Ų60.329%0.29430%0.304SS..THydrogen-bonded Turntrans-146.9-12.8-177.179.70000116.4N459 Y464 L465N459-S462 PolarHBondContact O-N 3.1Å; S462-Y464 PolarHBondContact O-N 3.14Å; S462-Y464 VanDerWaalsContact O-N 3.13Å; S462-L465 VanDerWaalsContact O-CB 3.29Å; S462-L465 WeakPolarHBondContact O-CB 3.3Å; S462-L465 WeakPolarHBondContact O-CG 3.41Å; S462-L465 PolarHBondContact O-N 2.93Å
463H90.8Very high92.6Very high12 Ų1263.1 Ų63.16%0.05632%0.319CS..G310 helixtrans-58.5-27.1-179.668.3-76.9000112.6M414 S427 F456 N459 P460 L465 Q466 M467M414-H463 WeakPolarHBondContact CE-NE2 3.29Å; S427-H463 PolarHBondContact OG-CE1 3.38Å; F456-H463 AromaticContact CD2-CE1 3.72Å; N459-H463 WeakPolarHBondContact O-CB 3.41Å; N459-H463 PolarHBondContact O-N 3.41Å; N459-H463 PolarHBondContact O-ND1 3.24Å; P460-H463 PolarHBondContact O-CE1 3.22Å; P460-H463 PolarHBondContact O-ND1 3.44Å; H463-L465 PolarHBondContact O-N 3.22Å; H463-L465 VanDerWaalsContact O-N 3.09Å; H463-Q466 PolarHBondContact O-N 2.9Å; H463-M467 PolarHBondContact O-N 3.06Å
464Y90.1Very high92.5Very high35 Ų3565.1 Ų65.114%0.13733%0.33CS..G310 helixtrans-58.6-23176.168.4-97.9000113.5Q423 R424 D461 S462 Q466 M467Q423-Y464 HydrophobicContact CB-CD1 4.34Å; Q423-Y464 HydrophobicContact CB-CD2 4.37Å; Q423-Y464 HydrophobicContact CB-CG 3.9Å; R424-Y464 HydrophobicContact CB-CD1 4.19Å; R424-Y464 HydrophobicContact CB-CE1 3.55Å; R424-Y464 HydrophobicContact CG-CE1 3.91Å; D461-Y464 WeakPolarHBondContact O-CE1 3.41Å; S462-Y464 PolarHBondContact O-N 3.14Å; S462-Y464 VanDerWaalsContact O-N 3.13Å; Y464-Q466 PolarHBondContact O-N 3.32Å; Y464-M467 WeakPolarHBondContact O-CB 3.45Å; Y464-M467 PolarHBondContact O-N 3.22Å
465L90.3Very high92.5Very high129 Ų12958.4 Ų58.468%0.67530%0.299SS*.G310 helixtrans-64-19.4175.2-63.9173.6000113S462 H463S462-L465 VanDerWaalsContact O-CB 3.29Å; S462-L465 WeakPolarHBondContact O-CB 3.3Å; S462-L465 WeakPolarHBondContact O-CG 3.41Å; S462-L465 PolarHBondContact O-N 2.93Å; H463-L465 PolarHBondContact O-N 3.22Å; H463-L465 VanDerWaalsContact O-N 3.09Å
466Q89.6Confident92.5Very high157 Ų15756 Ų5673%0.73429%0.289SS*.G310 helixtrans-114.58.1179.4-61.6-178.5-8.700111.9H463 Y464 T468H463-Q466 PolarHBondContact O-N 2.9Å; Y464-Q466 PolarHBondContact O-N 3.32Å; Q466-T468 PolarHBondContact O-N 3.46Å
467M92.2Very high92.4Very high17 Ų1759.1 Ų59.18%0.08431%0.311CS..  trans-68119.6-176-173.6116.866.700111.1M414 L417 Q423 L452 H463 Y464 Q471 A472 L475M414-M467 HydrophobicContact CE-CE 4.49Å; M414-M467 HydrophobicContact CG-CE 4.33Å; M414-M467 WeakPolarHBondContact O-CE 3.48Å; L417-M467 HydrophobicContact CD2-CB 4.19Å; L417-M467 HydrophobicContact CD2-CG 4.08Å; Q423-M467 VanDerWaalsContact NE2-CE 3.27Å; L452-M467 HydrophobicContact CD1-SD 4.32Å; H463-M467 PolarHBondContact O-N 3.06Å; Y464-M467 WeakPolarHBondContact O-CB 3.45Å; Y464-M467 PolarHBondContact O-N 3.22Å; M467-Q471 HydrophobicContact CG-CB 4.08Å; M467-Q471 HydrophobicContact SD-CB 4.15Å; M467-A472 HydrophobicContact CG-CB 4.16Å; M467-L475 HydrophobicContact CE-CD1 3.79Å; M467-L475 HydrophobicContact SD-CD1 3.52Å; M467-L475 VanDerWaalsContact SD-CD1 3.52Å
468T91.8Very high92.4Very high64 Ų6457 Ų5739%0.39330%0.3SS..  trans-75.3154.3174.963.10000111.3Q466 L470 Q471 A472Q466-T468 PolarHBondContact O-N 3.46Å; T468-L470 PolarHBondContact O-N 3.4Å; T468-Q471 PolarHBondContact O-N 3.24Å; T468-Q471 VanDerWaalsContact O-N 3.11Å; T468-Q471 WeakPolarHBondContact OG1-CB 3.48Å; T468-Q471 VanDerWaalsContact OG1-CG 3.28Å; T468-Q471 WeakPolarHBondContact OG1-CG 3.39Å; T468-Q471 PolarHBondContact OG1-N 2.88Å; T468-Q471 PolarHBondContact OG1-OE1 3.2Å; T468-A472 PolarHBondContact O-N 3.26Å
469P91.3Very high92.3Very high35 Ų3559 Ų5923%0.22731%0.309CS..Hα-helixtrans-53.2-33.9172-29.136.7000114F278 L417 D473F278-P469 HydrophobicContact CD1-CB 4.19Å; F278-P469 HydrophobicContact CE1-CB 3.6Å; F278-P469 HydrophobicContact CE2-CB 4.13Å; F278-P469 HydrophobicContact CZ-CB 3.57Å; F278-P469 WeakPolarHBondContact CZ-O 3.44Å; L417-P469 HydrophobicContact CD1-CB 4.36Å; L417-P469 HydrophobicContact CD1-CG 4.3Å; P469-D473 WeakPolarHBondContact O-CB 3.49Å; P469-D473 PolarHBondContact O-N 3.26Å
470L91.1Very high92.3Very high114 Ų11456.6 Ų56.660%0.59730%0.297SS*.Hα-helixtrans-69-45176.7-174.169.3000112.1T468 A472 D473 I474T468-L470 PolarHBondContact O-N 3.4Å; L470-A472 VanDerWaalsContact C-N 3.32Å; L470-D473 PolarHBondContact O-N 2.94Å; L470-I474 WeakPolarHBondContact O-CG1 3.43Å; L470-I474 PolarHBondContact O-N 2.94Å
471Q93.7Very high92.2Very high29 Ų2962.7 Ų62.714%0.13633%0.329CS..Hα-helixtrans-62.4-42.4174.7-74.9166.1-41.500111L452 E455 M467 T468 D473 I474 L475L452-Q471 HydrophobicContact CD1-CB 4.21Å; L452-Q471 HydrophobicContact CD1-CG 4.11Å; L452-Q471 HydrophobicContact CD2-CB 4.02Å; L452-Q471 HydrophobicContact CD2-CG 4.23Å; E455-Q471 PolarHBondContact OE2-NE2 3.07Å; E455-Q471 VanDerWaalsContact OE2-NE2 3.12Å; M467-Q471 HydrophobicContact CG-CB 4.08Å; M467-Q471 HydrophobicContact SD-CB 4.15Å; T468-Q471 PolarHBondContact O-N 3.24Å; T468-Q471 VanDerWaalsContact O-N 3.11Å; T468-Q471 WeakPolarHBondContact OG1-CB 3.48Å; T468-Q471 VanDerWaalsContact OG1-CG 3.28Å; T468-Q471 WeakPolarHBondContact OG1-CG 3.39Å; T468-Q471 PolarHBondContact OG1-N 2.88Å; T468-Q471 PolarHBondContact OG1-OE1 3.2Å; Q471-D473 VanDerWaalsContact C-N 3.34Å; Q471-D473 PolarHBondContact O-N 3.48Å; Q471-I474 WeakPolarHBondContact O-CB 3.42Å; Q471-I474 PolarHBondContact O-N 3.33Å; Q471-L475 WeakPolarHBondContact O-CG 3.49Å; Q471-L475 PolarHBondContact O-N 2.85Å; Q471-L475 VanDerWaalsContact O-N 3.15Å
472A93.5Very high92.1Very high0 Ų060.7 Ų60.70%032%0.316CS..Hα-helixtrans-60.4-42.5174.700000112.1L274 G415 L417 M467 T468 L470 I474 L475 V476L274-A472 HydrophobicContact CD2-CB 3.72Å; G415-A472 WeakPolarHBondContact O-CB 3.24Å; L417-A472 HydrophobicContact CD1-CB 3.72Å; L417-A472 HydrophobicContact CD2-CB 3.92Å; L417-A472 HydrophobicContact CG-CB 3.58Å; M467-A472 HydrophobicContact CG-CB 4.16Å; T468-A472 PolarHBondContact O-N 3.26Å; L470-A472 VanDerWaalsContact C-N 3.32Å; A472-I474 PolarHBondContact O-N 2.87Å; A472-L475 WeakPolarHBondContact O-CB 3.04Å; A472-L475 PolarHBondContact O-N 3.33Å; A472-V476 WeakPolarHBondContact O-CB 3.39Å; A472-V476 WeakPolarHBondContact O-CG2 3.4Å; A472-V476 PolarHBondContact O-N 2.78Å
473D92Very high91.9Very high66 Ų6661.9 Ų61.935%0.35332%0.322SS..Hα-helixtrans-62.9-40.4176.2-173.163.2000112.6L274 F278 P469 L470 Q471 L475 V476 S477L274-D473 HydrophobicContact CD1-CB 4.29Å; F278-D473 HydrophobicContact CZ-CB 4.45Å; P469-D473 WeakPolarHBondContact O-CB 3.49Å; P469-D473 PolarHBondContact O-N 3.26Å; L470-D473 PolarHBondContact O-N 2.94Å; Q471-D473 VanDerWaalsContact C-N 3.34Å; Q471-D473 PolarHBondContact O-N 3.48Å; D473-L475 VanDerWaalsContact C-N 3.28Å; D473-L475 PolarHBondContact O-N 3.5Å; D473-V476 PolarHBondContact O-N 2.96Å; D473-S477 WeakPolarHBondContact O-CB 3.48Å; D473-S477 PolarHBondContact O-N 3.45Å; D473-S477 PolarHBondContact O-OG 3.43Å
474I93.8Very high91.6Very high65 Ų6561.4 Ų61.433%0.33332%0.32SS..Hα-helixtrans-56.1-45172.9-69.2166.1000110.7A447 L470 Q471 A472 N478A447-I474 WeakPolarHBondContact O-CG2 3.27Å; L470-I474 WeakPolarHBondContact O-CG1 3.43Å; L470-I474 PolarHBondContact O-N 2.94Å; Q471-I474 WeakPolarHBondContact O-CB 3.42Å; Q471-I474 PolarHBondContact O-N 3.33Å; A472-I474 PolarHBondContact O-N 2.87Å; I474-N478 PolarHBondContact O-N 2.75Å
475L95.2Very high91.1Very high1 Ų167.3 Ų67.31%0.00535%0.349CS..Hα-helixtrans-70.2-44.4-179.8-65.9174.5000112.6L411 M414 M448 L452 M467 Q471 A472 D473 N478L411-L475 HydrophobicContact CD2-CD2 3.74Å; L411-L475 WeakPolarHBondContact O-CB 3.47Å; M414-L475 HydrophobicContact CB-CD1 4.37Å; M414-L475 HydrophobicContact CE-CD1 3.75Å; M414-L475 HydrophobicContact CE-CD2 4.33Å; M414-L475 HydrophobicContact CG-CD1 3.92Å; M414-L475 HydrophobicContact SD-CD1 4.41Å; M448-L475 HydrophobicContact CE-CD2 3.76Å; M448-L475 HydrophobicContact CG-CD2 3.76Å; L452-L475 HydrophobicContact CD2-CD1 4.17Å; L452-L475 HydrophobicContact CD2-CD2 3.99Å; L452-L475 HydrophobicContact CD2-CG 3.97Å; M467-L475 HydrophobicContact CE-CD1 3.79Å; M467-L475 HydrophobicContact SD-CD1 3.52Å; M467-L475 VanDerWaalsContact SD-CD1 3.52Å; Q471-L475 WeakPolarHBondContact O-CG 3.49Å; Q471-L475 PolarHBondContact O-N 2.85Å; Q471-L475 VanDerWaalsContact O-N 3.15Å; A472-L475 WeakPolarHBondContact O-CB 3.04Å; A472-L475 PolarHBondContact O-N 3.33Å; D473-L475 VanDerWaalsContact C-N 3.28Å; D473-L475 PolarHBondContact O-N 3.5Å; L475-N478 WeakPolarHBondContact O-CB 3.39Å; L475-N478 PolarHBondContact O-N 2.95Å; L475-N478 PolarHBondContact O-ND2 2.95Å
476V93Very high90.5Very high23 Ų2364.5 Ų64.514%0.13935%0.351CS..Hα-helixtrans-69.5-35.1-179.1170.90000111.7I272 L274 Y412 A472 D473 N478I272-V476 HydrophobicContact CD1-CG2 3.77Å; L274-V476 HydrophobicContact CD1-CB 3.87Å; L274-V476 HydrophobicContact CD1-CG1 4.04Å; L274-V476 HydrophobicContact CD1-CG2 3.86Å; Y412-V476 HydrophobicContact CD2-CB 4.38Å; Y412-V476 HydrophobicContact CD2-CG1 3.89Å; Y412-V476 WeakPolarHBondContact CD2-O 3.39Å; Y412-V476 HydrophobicContact CE2-CB 4.44Å; Y412-V476 HydrophobicContact CE2-CG1 3.51Å; A472-V476 WeakPolarHBondContact O-CB 3.39Å; A472-V476 WeakPolarHBondContact O-CG2 3.4Å; A472-V476 PolarHBondContact O-N 2.78Å; D473-V476 PolarHBondContact O-N 2.96Å; V476-N478 VanDerWaalsContact C-N 3.34Å
477S92.5Very high90.1Very high66 Ų6660.1 Ų60.146%0.46233%0.332SS..THydrogen-bonded Turntrans-90.87.4179.970.80000114.3D473D473-S477 WeakPolarHBondContact O-CB 3.48Å; D473-S477 PolarHBondContact O-N 3.45Å; D473-S477 PolarHBondContact O-OG 3.43Å
478N93.9Very high90Very high23 Ų2362.3 Ų62.312%0.12335%0.345CS..  trans-52.9146-177.483.582.7000112.1S408 L411 I474 L475 V476 V480S408-N478 WeakPolarHBondContact CA-OD1 3.32Å; S408-N478 WeakPolarHBondContact CB-OD1 3.41Å; S408-N478 PolarHBondContact O-ND2 3.02Å; S408-N478 PolarHBondContact OG-OD1 2.89Å; L411-N478 WeakPolarHBondContact CB-ND2 3.5Å; L411-N478 HydrophobicContact CD1-CB 4.37Å; I474-N478 PolarHBondContact O-N 2.75Å; L475-N478 WeakPolarHBondContact O-CB 3.39Å; L475-N478 PolarHBondContact O-N 2.95Å; L475-N478 PolarHBondContact O-ND2 2.95Å; V476-N478 VanDerWaalsContact C-N 3.34Å; N478-V480 PolarHBondContact OD1-N 3.36Å
479K92.1Very high89.9Confident202 Ų20262.2 Ų62.288%0.87834%0.342SS*.  trans-112.324.8180-62.5-176.5-178.8173.70112.5N481K479-N481 PolarHBondContact O-N 3.48Å
480V93.6Very high89.8Confident21 Ų2163.7 Ų63.713%0.12735%0.349CS..  trans-61.4122.7-179.6175.10000108.8L407 S408 L411 I443 A447 N478L407-V480 HydrophobicContact CB-CG1 4.12Å; S408-V480 VanDerWaalsContact CB-O 3.31Å; S408-V480 WeakPolarHBondContact CB-O 3.4Å; L411-V480 HydrophobicContact CD1-CB 4.39Å; L411-V480 HydrophobicContact CD1-CG2 3.65Å; I443-V480 HydrophobicContact CG2-CG1 3.8Å; I443-V480 HydrophobicContact CG2-CG2 4.37Å; A447-V480 HydrophobicContact CB-CG2 3.45Å; A447-V480 VanDerWaalsContact CB-CG2 3.45Å; N478-V480 PolarHBondContact OD1-N 3.36Å
481N90.2Very high89.7Confident143 Ų14360.7 Ų60.777%0.76533%0.334SS*.  trans-131.662.4173.7-17320.5000109.3K479K479-N481 PolarHBondContact O-N 3.48Å
482Y90.6Very high89.5Confident30 Ų3062.7 Ų62.712%0.11835%0.347CS..  trans-100.6124.4177.1-178.7-118.5000110.4I402 L407 V440 I443 G484 E485 L487I402-Y482 HydrophobicContact CG2-CD1 3.69Å; I402-Y482 HydrophobicContact CG2-CE1 3.7Å; L407-Y482 HydrophobicContact CD1-CD1 3.72Å; V440-Y482 HydrophobicContact CG2-CE1 4.09Å; I443-Y482 HydrophobicContact CD1-CD1 3.63Å; I443-Y482 HydrophobicContact CD1-CD2 3.33Å; I443-Y482 HydrophobicContact CD1-CE1 3.89Å; I443-Y482 HydrophobicContact CD1-CE2 3.64Å; I443-Y482 HydrophobicContact CD1-CG 3.3Å; Y482-G484 VanDerWaalsContact CZ-CA 3.5Å; Y482-E485 HydrophobicContact CE2-CB 4.4Å; Y482-E485 WeakPolarHBondContact CE2-O 3.37Å; Y482-E485 PolarHBondContact OH-O 3.24Å; Y482-L487 HydrophobicContact CE1-CD1 4.16Å; Y482-L487 HydrophobicContact CE1-CG 4.42Å; Y482-L487 WeakPolarHBondContact OH-CG 3.41Å
483T89.2Confident89.2Confident67 Ų6766.9 Ų66.941%0.41137%0.37SS..  trans-113.428.8-17754.60000111.6K403K403-T483 WeakPolarHBondContact CA-O 3.46Å; K403-T483 WeakPolarHBondContact CG-O 3.42Å
484G83Confident89Confident3 Ų366.9 Ų66.93%0.03137%0.371CS..  trans75.624170.900000115.4Y482 G486 L487Y482-G484 VanDerWaalsContact CZ-CA 3.5Å; G484-G486 PolarHBondContact O-N 3.24Å; G484-L487 PolarHBondContact O-N 3.43Å
485E81Confident88.7Confident158 Ų15867.1 Ų67.174%0.73837%0.374SS*.THydrogen-bonded Turntrans-62.8123.1171-68.3-171.3167.700110Y482Y482-E485 HydrophobicContact CE2-CB 4.4Å; Y482-E485 WeakPolarHBondContact CE2-O 3.37Å; Y482-E485 PolarHBondContact OH-O 3.24Å
486G77.2Confident88.1Confident70 Ų7072.6 Ų72.672%0.72241%0.405SS*.THydrogen-bonded Turntrans94.41.4-178.300000116.2G484G484-G486 PolarHBondContact O-N 3.24Å
487L80.9Confident87.7Confident65 Ų6577.1 Ų77.134%0.3443%0.429SS..  trans-89.50176.5-63.1179.3000115.7R399 I402 Y437 Y482 G484R399-L487 WeakPolarHBondContact CD-OXT 3.33Å; R399-L487 HydrophobicContact CG-CB 4.19Å; I402-L487 HydrophobicContact CB-CD1 3.91Å; I402-L487 HydrophobicContact CD1-CD1 3.63Å; I402-L487 HydrophobicContact CG1-CD1 4.38Å; I402-L487 HydrophobicContact CG2-CD1 3.61Å; Y437-L487 HydrophobicContact CD1-CD2 3.6Å; Y437-L487 HydrophobicContact CE1-CD2 4.39Å; Y437-L487 HydrophobicContact CG-CD2 3.83Å; Y482-L487 HydrophobicContact CE1-CD1 4.16Å; Y482-L487 HydrophobicContact CE1-CG 4.42Å; Y482-L487 WeakPolarHBondContact OH-CG 3.41Å; G484-L487 PolarHBondContact O-N 3.43Å

Retrieved 487 of 487 residues in 244.2 ms (Link to these results)

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