A0A096NJ81_PAPAN Loading...

Telomere repeats-binding bouquet formation protein 1

Meiosis-specific telomere-associated protein involved in meiotic telomere attachment to the nucleus inner membrane, a crucial step for homologous pairing and synapsis. Component of the MAJIN-TERB1-TERB2 complex, which promotes telomere cap exchange by mediating attachment of telomeric DNA to the inner nuclear membrane and replacement of the protective cap of telomeric chromosomes: in early meiosis, the MAJIN-TERB1-TERB2 complex associates with telomeric DNA and the shelterin/telosome complex. During prophase, the complex matures and promotes release of the shelterin/telosome complex from telomeric DNA. In the MAJIN-TERB1-TERB2 complex, TERB1 probably mediates association with the shelterin/telosome complex via interaction with TERF1, promoting priming telomeric DNA attachment'. Promotes telomere association with the nuclear envelope and deposition of the SUN-KASH/LINC complex. Also recruits cohesin to telomeres to develop structural rigidity.

AlphaFold DB , UniProt , Accession A0A096NJ81, Species PAPAN (Papio anubis, Olive baboon), Gene TERB1, Length 728 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
1M48Very low69.8Low180 Ų180108.4 Ų108.489%0.88755%0.548SS*.  0-890-131.8160.4-176.500110.4S3 E4 D5M1-S3 VanDerWaalsContact C-N 3.26Å; M1-S3 PolarHBondContact O-N 3.13Å; M1-E4 WeakPolarHBondContact O-CA 3.5Å; M1-E4 VanDerWaalsContact O-CB 3.27Å; M1-E4 WeakPolarHBondContact O-CB 3.34Å; M1-E4 PolarHBondContact O-N 3.34Å; M1-D5 PolarHBondContact O-N 3.46Å; M1-D5 VanDerWaalsContact O-N 3.14Å
2E50.9Low71.6Confident178 Ų178100.5 Ų100.583%0.83251%0.508SS*.Hα-helixtrans-48.2-41.1-177.4-63.2-174133.800115.3E4 T6E2-E4 PolarHBondContact O-N 3.05Å; E2-T6 PolarHBondContact O-N 2.87Å; E2-T6 VanDerWaalsContact O-N 3.14Å; E2-T6 PolarHBondContact O-OG1 3.05Å
3S59.2Low73.2Confident94 Ų9497.2 Ų97.266%0.65749%0.488SS*.Hα-helixtrans-68.3-18.417859.40000114.9M1 T6M1-S3 VanDerWaalsContact C-N 3.26Å; M1-S3 PolarHBondContact O-N 3.13Å; S3-T6 WeakPolarHBondContact CA-OG1 3.43Å; S3-T6 PolarHBondContact O-OG1 3.37Å
4E61.6Low74.5Confident98 Ų9894.7 Ų94.746%0.45848%0.48SS..Hα-helixtrans-96.3-40.3-177.5-160.4-171.4136.600110.2M1 E2 T6 K7 K8M1-E4 WeakPolarHBondContact O-CA 3.5Å; M1-E4 VanDerWaalsContact O-CB 3.27Å; M1-E4 WeakPolarHBondContact O-CB 3.34Å; M1-E4 PolarHBondContact O-N 3.34Å; E2-E4 PolarHBondContact O-N 3.05Å; E4-T6 VanDerWaalsContact C-N 3.35Å; E4-K7 WeakPolarHBondContact O-CB 3.49Å; E4-K7 PolarHBondContact O-N 3.02Å; E4-K7 VanDerWaalsContact O-N 3.13Å; E4-K8 WeakPolarHBondContact O-CG 3.36Å; E4-K8 PolarHBondContact O-N 3.32Å; E4-K8 VanDerWaalsContact OE1-CE 3.28Å; E4-K8 WeakPolarHBondContact OE1-CE 3.45Å; E4-K8 IonicContact OE1-NZ 2.79Å; E4-K8 PolarHBondContact OE1-NZ 3.15Å
5D65.3Low75.7Confident76 Ų7693.2 Ų93.241%0.40647%0.474SS..Hα-helixtrans-68.6-35.7175.6-55.4-45000111.4M1 K7 T9M1-D5 PolarHBondContact O-N 3.46Å; M1-D5 VanDerWaalsContact O-N 3.14Å; D5-K7 VanDerWaalsContact C-N 3.35Å; D5-T9 VanDerWaalsContact O-CB 3.3Å; D5-T9 WeakPolarHBondContact O-CB 3.33Å; D5-T9 PolarHBondContact O-N 2.61Å; D5-T9 PolarHBondContact O-OG1 3.46Å
6T71.8Confident76.8Confident92 Ų9287.4 Ų87.456%0.56444%0.444SS*.Hα-helixtrans-66.3-33.516942.20000113E2 S3 E4 Q10E2-T6 PolarHBondContact O-N 2.87Å; E2-T6 VanDerWaalsContact O-N 3.14Å; E2-T6 PolarHBondContact O-OG1 3.05Å; S3-T6 WeakPolarHBondContact CA-OG1 3.43Å; S3-T6 PolarHBondContact O-OG1 3.37Å; E4-T6 VanDerWaalsContact C-N 3.35Å; T6-Q10 PolarHBondContact O-N 3.45Å; T6-Q10 VanDerWaalsContact O-N 3.12Å
7K77.1Confident77.9Confident122 Ų12285.6 Ų85.653%0.5344%0.437SS..Hα-helixtrans-67.9-52.6174.6-174.2175.5178.2-75.70111.1E4 D5 T9 Q10 E11E4-K7 WeakPolarHBondContact O-CB 3.49Å; E4-K7 PolarHBondContact O-N 3.02Å; E4-K7 VanDerWaalsContact O-N 3.13Å; D5-K7 VanDerWaalsContact C-N 3.35Å; K7-T9 VanDerWaalsContact C-N 3.27Å; K7-T9 PolarHBondContact O-N 2.83Å; K7-Q10 WeakPolarHBondContact O-CA 3.44Å; K7-Q10 PolarHBondContact O-N 3.31Å; K7-E11 WeakPolarHBondContact CE-OE1 3.43Å; K7-E11 IonicContact NZ-OE1 2.67Å; K7-E11 PolarHBondContact NZ-OE1 3.1Å; K7-E11 IonicContact NZ-OE2 2.59Å; K7-E11 WeakPolarHBondContact O-CG 3.29Å; K7-E11 PolarHBondContact O-N 3.47Å
8K79.4Confident78.7Confident103 Ų10387.1 Ų87.145%0.44845%0.445SS..Hα-helixtrans-56.1-39.9175.7-69.3167.8-174.1163.30112.3E4 E11 M12E4-K8 WeakPolarHBondContact O-CG 3.36Å; E4-K8 PolarHBondContact O-N 3.32Å; E4-K8 VanDerWaalsContact OE1-CE 3.28Å; E4-K8 WeakPolarHBondContact OE1-CE 3.45Å; E4-K8 IonicContact OE1-NZ 2.79Å; E4-K8 PolarHBondContact OE1-NZ 3.15Å; K8-E11 WeakPolarHBondContact CA-OE2 3.5Å; K8-E11 PolarHBondContact O-N 3.35Å; K8-M12 VanDerWaalsContact O-CB 3.31Å; K8-M12 WeakPolarHBondContact O-CB 3.22Å; K8-M12 PolarHBondContact O-N 3.45Å
9T82.1Confident79.6Confident53 Ų5383.9 Ų83.933%0.32543%0.429SS..Hα-helixtrans-63.8-39.3174.8-58.60000111.9D5 K7 K13D5-T9 VanDerWaalsContact O-CB 3.3Å; D5-T9 WeakPolarHBondContact O-CB 3.33Å; D5-T9 PolarHBondContact O-N 2.61Å; D5-T9 PolarHBondContact O-OG1 3.46Å; K7-T9 VanDerWaalsContact C-N 3.27Å; K7-T9 PolarHBondContact O-N 2.83Å; T9-K13 WeakPolarHBondContact O-CG 3.4Å; T9-K13 PolarHBondContact O-N 3.45Å; T9-K13 VanDerWaalsContact O-N 3.13Å
10Q85.1Confident80.3Confident115 Ų11579.9 Ų79.954%0.53741%0.408SS..Hα-helixtrans-75.9-32.1179-174.655.356.600112.7T6 K7 K13 T14T6-Q10 PolarHBondContact O-N 3.45Å; T6-Q10 VanDerWaalsContact O-N 3.12Å; K7-Q10 WeakPolarHBondContact O-CA 3.44Å; K7-Q10 PolarHBondContact O-N 3.31Å; Q10-K13 PolarHBondContact O-N 3.33Å; Q10-T14 PolarHBondContact O-N 2.65Å; Q10-T14 VanDerWaalsContact O-N 3.08Å; Q10-T14 PolarHBondContact O-OG1 3.16Å
11E87.1Confident80.8Confident81 Ų8179 Ų7938%0.37940%0.402SS..Hα-helixtrans-62.6-57.2171.7-71.5165.5154.200109.8K7 K8 K13 T14 D15K7-E11 WeakPolarHBondContact CE-OE1 3.43Å; K7-E11 IonicContact NZ-OE1 2.67Å; K7-E11 PolarHBondContact NZ-OE1 3.1Å; K7-E11 IonicContact NZ-OE2 2.59Å; K7-E11 WeakPolarHBondContact O-CG 3.29Å; K7-E11 PolarHBondContact O-N 3.47Å; K8-E11 WeakPolarHBondContact CA-OE2 3.5Å; K8-E11 PolarHBondContact O-N 3.35Å; E11-K13 PolarHBondContact O-N 2.95Å; E11-K13 VanDerWaalsContact O-N 3.11Å; E11-T14 CarbonylContact O-C 3.6Å; E11-T14 WeakPolarHBondContact O-CA 3.42Å; E11-T14 VanDerWaalsContact O-CB 3.3Å; E11-T14 WeakPolarHBondContact O-CB 3.21Å; E11-T14 PolarHBondContact O-N 3.37Å; E11-D15 VanDerWaalsContact O-CG 3.27Å; E11-D15 PolarHBondContact O-N 3.07Å
12M91.8Very high82.9Confident14 Ų1472.1 Ų72.17%0.06937%0.372CS..Hα-helixtrans-49.9-39.8173.6178.7-138.376.400113.6K8 L16 I43 N47 A50K8-M12 VanDerWaalsContact O-CB 3.31Å; K8-M12 WeakPolarHBondContact O-CB 3.22Å; K8-M12 PolarHBondContact O-N 3.45Å; M12-L16 HydrophobicContact CE-CD1 4.14Å; M12-L16 HydrophobicContact CG-CD1 4.34Å; M12-L16 WeakPolarHBondContact O-CG 3.39Å; M12-L16 PolarHBondContact O-N 2.74Å; M12-L16 VanDerWaalsContact O-N 3.14Å; M12-I43 HydrophobicContact CG-CG2 3.69Å; M12-N47 HydrophobicContact SD-CB 4.18Å; M12-N47 PolarHBondContact SD-ND2 2.97Å; M12-A50 HydrophobicContact CE-CB 4.3Å; M12-A50 HydrophobicContact CG-CB 4.22Å; M12-A50 HydrophobicContact SD-CB 3.63Å
13K91.8Very high84.8Confident58 Ų5863.7 Ų63.725%0.25233%0.332SS..Hα-helixtrans-67-37.5174.3-74.1-166.7176.7-160.90112.4T9 Q10 E11 N17 Y53T9-K13 WeakPolarHBondContact O-CG 3.4Å; T9-K13 PolarHBondContact O-N 3.45Å; T9-K13 VanDerWaalsContact O-N 3.13Å; Q10-K13 PolarHBondContact O-N 3.33Å; E11-K13 PolarHBondContact O-N 2.95Å; E11-K13 VanDerWaalsContact O-N 3.11Å; K13-N17 PolarHBondContact O-N 2.99Å; K13-N17 PolarHBondContact O-ND2 3.42Å; K13-Y53 HydrophobicContact CB-CD1 4.04Å; K13-Y53 HydrophobicContact CB-CE1 3.6Å; K13-Y53 HydrophobicContact CD-CD1 4.13Å; K13-Y53 HydrophobicContact CD-CD2 3.82Å; K13-Y53 HydrophobicContact CD-CE1 4.04Å; K13-Y53 HydrophobicContact CD-CE2 3.76Å; K13-Y53 HydrophobicContact CD-CG 4Å; K13-Y53 HydrophobicContact CG-CD1 3.59Å; K13-Y53 HydrophobicContact CG-CD2 4.21Å; K13-Y53 HydrophobicContact CG-CE1 3.61Å; K13-Y53 HydrophobicContact CG-CE2 4.25Å; K13-Y53 HydrophobicContact CG-CG 3.88Å
14T91.6Very high86.2Confident62 Ų6262.9 Ų62.938%0.3832%0.317SS..Hα-helixtrans-67.7-46178.2-50.20000110Q10 E11 L16 N17 L18Q10-T14 PolarHBondContact O-N 2.65Å; Q10-T14 VanDerWaalsContact O-N 3.08Å; Q10-T14 PolarHBondContact O-OG1 3.16Å; E11-T14 CarbonylContact O-C 3.6Å; E11-T14 WeakPolarHBondContact O-CA 3.42Å; E11-T14 VanDerWaalsContact O-CB 3.3Å; E11-T14 WeakPolarHBondContact O-CB 3.21Å; E11-T14 PolarHBondContact O-N 3.37Å; T14-L16 PolarHBondContact O-N 3.2Å; T14-N17 PolarHBondContact O-N 3.01Å; T14-N17 VanDerWaalsContact O-N 3.13Å; T14-L18 HydrophobicContact CG2-CD1 4.18Å; T14-L18 WeakPolarHBondContact O-CG 3.29Å; T14-L18 PolarHBondContact O-N 3Å
15D93.1Very high87.4Confident72 Ų7266.4 Ų66.439%0.38533%0.327SS..Hα-helixtrans-59.4-45.1179.1-54.7-32.2000111.9E11 N17 L18 L19 I43E11-D15 VanDerWaalsContact O-CG 3.27Å; E11-D15 PolarHBondContact O-N 3.07Å; D15-N17 VanDerWaalsContact C-N 3.32Å; D15-N17 PolarHBondContact O-N 3.12Å; D15-L18 PolarHBondContact O-N 2.94Å; D15-L19 WeakPolarHBondContact O-CB 3.38Å; D15-L19 VanDerWaalsContact O-CG 3.29Å; D15-L19 WeakPolarHBondContact O-CG 3.14Å; D15-L19 PolarHBondContact O-N 3.2Å; D15-I43 HydrophobicContact CB-CD1 4.24Å
16L93.7Very high88.2Confident0 Ų066.3 Ų66.30%032%0.324CS..Hα-helixtrans-64.4-31.8176.7-71.9168.2000113.6M12 T14 L20 I40 I43 A50 Y53 F54M12-L16 HydrophobicContact CE-CD1 4.14Å; M12-L16 HydrophobicContact CG-CD1 4.34Å; M12-L16 WeakPolarHBondContact O-CG 3.39Å; M12-L16 PolarHBondContact O-N 2.74Å; M12-L16 VanDerWaalsContact O-N 3.14Å; T14-L16 PolarHBondContact O-N 3.2Å; L16-L20 VanDerWaalsContact O-CB 3.29Å; L16-L20 WeakPolarHBondContact O-CB 3.34Å; L16-L20 PolarHBondContact O-N 2.9Å; L16-L20 VanDerWaalsContact O-N 3.1Å; L16-I40 HydrophobicContact CD2-CG1 4.47Å; L16-I40 HydrophobicContact CD2-CG2 4.3Å; L16-I43 HydrophobicContact CD1-CG2 4.19Å; L16-I43 HydrophobicContact CD2-CB 4.24Å; L16-I43 HydrophobicContact CD2-CD1 4.39Å; L16-I43 HydrophobicContact CD2-CG2 3.95Å; L16-I43 HydrophobicContact CG-CG2 4.04Å; L16-A50 HydrophobicContact CD1-CB 3.81Å; L16-Y53 HydrophobicContact CD1-CD1 4.1Å; L16-F54 HydrophobicContact CD2-CD2 4.21Å
17N94.2Very high88.5Confident58 Ų5866.1 Ų66.131%0.3132%0.318SS..Hα-helixtrans-71.6-44.6171.9-76.1-81.2000110.9K13 T14 D15 L19 L20 E21 Y53K13-N17 PolarHBondContact O-N 2.99Å; K13-N17 PolarHBondContact O-ND2 3.42Å; T14-N17 PolarHBondContact O-N 3.01Å; T14-N17 VanDerWaalsContact O-N 3.13Å; D15-N17 VanDerWaalsContact C-N 3.32Å; D15-N17 PolarHBondContact O-N 3.12Å; N17-L19 VanDerWaalsContact C-N 3.32Å; N17-L19 PolarHBondContact O-N 3.12Å; N17-L20 PolarHBondContact O-N 3.15Å; N17-E21 WeakPolarHBondContact O-CG 3.41Å; N17-E21 PolarHBondContact O-N 3.1Å; N17-Y53 PolarHBondContact ND2-OH 3.13Å
18L93.8Very high88.8Confident111 Ų11167.9 Ų67.958%0.58133%0.333SS*.Hα-helixtrans-61.1-40.2178.4-69.7171.9000111.9T14 D15 C22T14-L18 HydrophobicContact CG2-CD1 4.18Å; T14-L18 WeakPolarHBondContact O-CG 3.29Å; T14-L18 PolarHBondContact O-N 3Å; D15-L18 PolarHBondContact O-N 2.94Å; L18-C22 VanDerWaalsContact O-CB 3.28Å; L18-C22 WeakPolarHBondContact O-CB 3.45Å; L18-C22 PolarHBondContact O-N 3.38Å
19L94.1Very high89.2Confident27 Ų2766.2 Ų66.214%0.14133%0.329CS..Hα-helixtrans-68.7-38.3175.1-68.9163.4000112.2D15 N17 C22 L23 A36 T39 I40 I43D15-L19 WeakPolarHBondContact O-CB 3.38Å; D15-L19 VanDerWaalsContact O-CG 3.29Å; D15-L19 WeakPolarHBondContact O-CG 3.14Å; D15-L19 PolarHBondContact O-N 3.2Å; N17-L19 VanDerWaalsContact C-N 3.32Å; N17-L19 PolarHBondContact O-N 3.12Å; L19-C22 WeakPolarHBondContact O-CB 3.46Å; L19-C22 PolarHBondContact O-N 3.38Å; L19-L23 WeakPolarHBondContact O-CG 3.41Å; L19-L23 PolarHBondContact O-N 2.9Å; L19-A36 HydrophobicContact CD2-CB 4.13Å; L19-T39 HydrophobicContact CD1-CG2 3.68Å; L19-T39 HydrophobicContact CD2-CG2 4.01Å; L19-I40 HydrophobicContact CB-CD1 3.93Å; L19-I40 HydrophobicContact CB-CG1 3.68Å; L19-I40 HydrophobicContact CD1-CG1 3.97Å; L19-I40 HydrophobicContact CG-CG1 4.38Å; L19-I43 HydrophobicContact CD1-CD1 3.54Å
20L93.5Very high89.6Confident4 Ų464.3 Ų64.32%0.02132%0.319CS..Hα-helixtrans-69.3-35.1175.7-177.558.8000112.6L16 N17 K24 F54 I57 F62L16-L20 VanDerWaalsContact O-CB 3.29Å; L16-L20 WeakPolarHBondContact O-CB 3.34Å; L16-L20 PolarHBondContact O-N 2.9Å; L16-L20 VanDerWaalsContact O-N 3.1Å; N17-L20 PolarHBondContact O-N 3.15Å; L20-K24 WeakPolarHBondContact O-CG 3.42Å; L20-K24 PolarHBondContact O-N 3.45Å; L20-F54 HydrophobicContact CB-CE2 4.47Å; L20-F54 HydrophobicContact CD1-CE2 4.4Å; L20-I57 HydrophobicContact CD2-CB 4.48Å; L20-I57 HydrophobicContact CD2-CD1 3.69Å; L20-I57 HydrophobicContact CD2-CG1 3.8Å; L20-F62 HydrophobicContact CD1-CB 3.9Å; L20-F62 HydrophobicContact CD1-CD1 3.91Å; L20-F62 HydrophobicContact CD1-CG 3.92Å
21E92.4Very high89.8Confident61 Ų6164.6 Ų64.629%0.28532%0.318SS..Hα-helixtrans-69.7-39.2170.2-69.6-53.5105.900111.5N17 L23 K24 Y25N17-E21 WeakPolarHBondContact O-CG 3.41Å; N17-E21 PolarHBondContact O-N 3.1Å; E21-L23 VanDerWaalsContact C-N 3.32Å; E21-L23 PolarHBondContact O-N 2.92Å; E21-K24 WeakPolarHBondContact O-CB 3.45Å; E21-K24 PolarHBondContact O-N 3.07Å; E21-K24 WeakPolarHBondContact OE1-CD 3.48Å; E21-K24 IonicContact OE1-NZ 3.2Å; E21-K24 PolarHBondContact OE1-NZ 2.96Å; E21-Y25 HydrophobicContact CB-CD2 4.18Å; E21-Y25 HydrophobicContact CB-CE2 3.87Å; E21-Y25 HydrophobicContact CG-CE2 4.33Å; E21-Y25 WeakPolarHBondContact O-CD2 3.3Å; E21-Y25 PolarHBondContact O-N 2.97Å; E21-Y25 WeakPolarHBondContact OE2-CE2 3.48Å; E21-Y25 PolarHBondContact OE2-OH 3.34Å
22C91.5Very high89.9Confident36 Ų3662 Ų6224%0.24331%0.31CS..Hα-helixtrans-54.5-48174.3-171.50000111.4L18 L19 K24 Y25 Q26L18-C22 VanDerWaalsContact O-CB 3.28Å; L18-C22 WeakPolarHBondContact O-CB 3.45Å; L18-C22 PolarHBondContact O-N 3.38Å; L19-C22 WeakPolarHBondContact O-CB 3.46Å; L19-C22 PolarHBondContact O-N 3.38Å; C22-K24 PolarHBondContact O-N 3.37Å; C22-Y25 PolarHBondContact O-N 2.79Å; C22-Q26 WeakPolarHBondContact O-CB 3.43Å; C22-Q26 PolarHBondContact O-N 3.33Å; C22-Q26 PolarHBondContact SG-OE1 3.44Å; C22-Q26 VanDerWaalsContact SG-OE1 3.36Å
23L91.1Very high89.9Confident0 Ų061.5 Ų61.50%031%0.307CS..Hα-helixtrans-60.5-28.3175.6-68.4178000114.2L19 E21 Q33 A36 L37 I40 F62 V63 L66L19-L23 WeakPolarHBondContact O-CG 3.41Å; L19-L23 PolarHBondContact O-N 2.9Å; E21-L23 VanDerWaalsContact C-N 3.32Å; E21-L23 PolarHBondContact O-N 2.92Å; L23-Q33 HydrophobicContact CD2-CB 4.15Å; L23-Q33 HydrophobicContact CD2-CG 4.31Å; L23-Q33 WeakPolarHBondContact CD2-O 2.86Å; L23-Q33 PolarHBondContact O-NE2 3.49Å; L23-A36 HydrophobicContact CD2-CB 3.71Å; L23-A36 HydrophobicContact CG-CB 4.08Å; L23-L37 HydrophobicContact CD1-CD2 3.92Å; L23-L37 HydrophobicContact CD1-CG 4.35Å; L23-L37 HydrophobicContact CD2-CD2 4.39Å; L23-L37 HydrophobicContact CD2-CG 3.96Å; L23-I40 HydrophobicContact CD1-CD1 3.62Å; L23-I40 HydrophobicContact CG-CD1 4.44Å; L23-F62 HydrophobicContact CB-CD1 4.35Å; L23-F62 HydrophobicContact CB-CE1 3.7Å; L23-F62 HydrophobicContact CB-CZ 4.46Å; L23-F62 HydrophobicContact CD1-CD1 4.48Å; L23-F62 HydrophobicContact CD1-CE1 4.5Å; L23-V63 HydrophobicContact CD1-CG2 4.21Å; L23-L66 HydrophobicContact CD2-CD2 4.3Å
24K89.1Confident89.8Confident78 Ų7863 Ų6334%0.33931%0.313SS..Hα-helixtrans-81.3-37.7179.1-70.5166.6-170.7171.80113.5L20 E21 C22 M27 F62L20-K24 WeakPolarHBondContact O-CG 3.42Å; L20-K24 PolarHBondContact O-N 3.45Å; E21-K24 WeakPolarHBondContact O-CB 3.45Å; E21-K24 PolarHBondContact O-N 3.07Å; E21-K24 WeakPolarHBondContact OE1-CD 3.48Å; E21-K24 IonicContact OE1-NZ 3.2Å; E21-K24 PolarHBondContact OE1-NZ 2.96Å; C22-K24 PolarHBondContact O-N 3.37Å; K24-M27 WeakPolarHBondContact O-CG 3.34Å; K24-F62 HydrophobicContact CB-CZ 4.43Å; K24-F62 HydrophobicContact CG-CD2 4.13Å; K24-F62 HydrophobicContact CG-CE1 4.44Å; K24-F62 HydrophobicContact CG-CE2 3.5Å; K24-F62 VanDerWaalsContact CG-CE2 3.5Å; K24-F62 HydrophobicContact CG-CZ 3.69Å
25Y86.8Confident89.8Confident172 Ų17264.7 Ų64.768%0.67532%0.317SS*.Hα-helixtrans-92.6-19.7-176.3-60.1-63.4000113.6E21 C22E21-Y25 HydrophobicContact CB-CD2 4.18Å; E21-Y25 HydrophobicContact CB-CE2 3.87Å; E21-Y25 HydrophobicContact CG-CE2 4.33Å; E21-Y25 WeakPolarHBondContact O-CD2 3.3Å; E21-Y25 PolarHBondContact O-N 2.97Å; E21-Y25 WeakPolarHBondContact OE2-CE2 3.48Å; E21-Y25 PolarHBondContact OE2-OH 3.34Å; C22-Y25 PolarHBondContact O-N 2.79Å
26Q81.1Confident89.8Confident73 Ų7361.4 Ų61.434%0.34130%0.3SS..  trans-99.940.7179.7-59.9-170.2-9.100112.9C22 D28 N29 Q33C22-Q26 WeakPolarHBondContact O-CB 3.43Å; C22-Q26 PolarHBondContact O-N 3.33Å; C22-Q26 PolarHBondContact SG-OE1 3.44Å; C22-Q26 VanDerWaalsContact SG-OE1 3.36Å; Q26-D28 PolarHBondContact O-N 3.15Å; Q26-N29 PolarHBondContact O-N 3.22Å; Q26-N29 VanDerWaalsContact O-N 3.11Å; Q26-Q33 WeakPolarHBondContact O-CG 3.47Å
27M79.1Confident89.8Confident88 Ų8861.4 Ų61.443%0.43330%0.3SS..THydrogen-bonded Turntrans-59.5-30-179.7-65.9-63.5-68.800113K24 N29 Q33 L66K24-M27 WeakPolarHBondContact O-CG 3.34Å; M27-N29 VanDerWaalsContact C-N 3.32Å; M27-N29 PolarHBondContact O-N 3.48Å; M27-Q33 PolarHBondContact SD-NE2 3.4Å; M27-Q33 VanDerWaalsContact SD-NE2 3.4Å; M27-L66 HydrophobicContact CE-CD1 4.4Å
28D81.4Confident89.6Confident159 Ų15962 Ų6285%0.8531%0.306SS*.THydrogen-bonded Turntrans-83.2-1.5-179.7-44.7-59.2000113.8Q26Q26-D28 PolarHBondContact O-N 3.15Å
29N88.6Confident89.5Confident68 Ų6859.7 Ų59.736%0.36430%0.296SS..  trans-125.987-177.4-177.3-7000112.2Q26 M27 F31 S32 Q33Q26-N29 PolarHBondContact O-N 3.22Å; Q26-N29 VanDerWaalsContact O-N 3.11Å; M27-N29 VanDerWaalsContact C-N 3.32Å; M27-N29 PolarHBondContact O-N 3.48Å; N29-F31 PolarHBondContact O-N 3.22Å; N29-F31 VanDerWaalsContact O-N 3.16Å; N29-F31 PolarHBondContact OD1-N 3.08Å; N29-F31 VanDerWaalsContact OD1-N 3.12Å; N29-S32 WeakPolarHBondContact ND2-CB 3.41Å; N29-S32 PolarHBondContact ND2-OG 3.45Å; N29-S32 PolarHBondContact O-N 3.37Å; N29-S32 PolarHBondContact OD1-N 2.94Å; N29-S32 VanDerWaalsContact OD1-N 3.08Å; N29-Q33 WeakPolarHBondContact O-CG 3.47Å; N29-Q33 PolarHBondContact O-N 2.99Å
30A90.1Very high89.5Confident13 Ų1358.4 Ų58.411%0.10729%0.29CS..Hα-helixtrans-54-31.8176.900000114.7K34 H72 M74 V75A30-K34 WeakPolarHBondContact O-CB 3.5Å; A30-K34 PolarHBondContact O-N 2.77Å; A30-K34 VanDerWaalsContact O-N 3.1Å; A30-H72 HydrophobicContact CB-CB 3.98Å; A30-M74 HydrophobicContact CB-CE 4.43Å; A30-M74 HydrophobicContact CB-CG 4.37Å; A30-M74 HydrophobicContact CB-SD 4.05Å; A30-V75 HydrophobicContact CB-CG2 3.74Å
31F89.1Confident89.4Confident121 Ų12159.2 Ų59.253%0.53129%0.293SS..Hα-helixtrans-71.6-52.3-178.9-175.6-95.1000110.9N29 Q33 K34 E35 M74N29-F31 PolarHBondContact O-N 3.22Å; N29-F31 VanDerWaalsContact O-N 3.16Å; N29-F31 PolarHBondContact OD1-N 3.08Å; N29-F31 VanDerWaalsContact OD1-N 3.12Å; F31-Q33 VanDerWaalsContact C-N 3.32Å; F31-Q33 PolarHBondContact O-N 2.7Å; F31-K34 WeakPolarHBondContact O-CA 3.25Å; F31-K34 WeakPolarHBondContact O-CB 3.48Å; F31-K34 PolarHBondContact O-N 3.02Å; F31-E35 HydrophobicContact CD1-CG 4.24Å; F31-E35 HydrophobicContact CE1-CG 3.9Å; F31-E35 VanDerWaalsContact CE1-OE1 3.3Å; F31-E35 WeakPolarHBondContact CE1-OE1 3.44Å; F31-E35 WeakPolarHBondContact CE1-OE2 3.47Å; F31-E35 HydrophobicContact CZ-CG 4.29Å; F31-E35 PolarHBondContact O-N 3.18Å; F31-M74 HydrophobicContact CB-CE 4.44Å; F31-M74 HydrophobicContact CD2-CE 4.41Å
32S89.9Confident89.3Confident28 Ų2858.3 Ų58.320%0.19629%0.294CS..Hα-helixtrans-70.8-27179.2-590000112.7N29 E35 A36N29-S32 WeakPolarHBondContact ND2-CB 3.41Å; N29-S32 PolarHBondContact ND2-OG 3.45Å; N29-S32 PolarHBondContact O-N 3.37Å; N29-S32 PolarHBondContact OD1-N 2.94Å; N29-S32 VanDerWaalsContact OD1-N 3.08Å; S32-E35 PolarHBondContact O-N 2.93Å; S32-A36 WeakPolarHBondContact O-CB 3.4Å; S32-A36 PolarHBondContact O-N 3.27Å
33Q91.4Very high89.3Confident2 Ų258.1 Ų58.11%0.00929%0.29CS..Hα-helixtrans-59.7-46.1164.7-75.6-171-33.700112.2L23 Q26 M27 N29 F31 A36 L37 V75L23-Q33 HydrophobicContact CD2-CB 4.15Å; L23-Q33 HydrophobicContact CD2-CG 4.31Å; L23-Q33 WeakPolarHBondContact CD2-O 2.86Å; L23-Q33 PolarHBondContact O-NE2 3.49Å; Q26-Q33 WeakPolarHBondContact O-CG 3.47Å; M27-Q33 PolarHBondContact SD-NE2 3.4Å; M27-Q33 VanDerWaalsContact SD-NE2 3.4Å; N29-Q33 WeakPolarHBondContact O-CG 3.47Å; N29-Q33 PolarHBondContact O-N 2.99Å; F31-Q33 VanDerWaalsContact C-N 3.32Å; F31-Q33 PolarHBondContact O-N 2.7Å; Q33-A36 PolarHBondContact O-N 3.08Å; Q33-L37 VanDerWaalsContact O-CG 3.32Å; Q33-L37 WeakPolarHBondContact O-CG 3.34Å; Q33-L37 PolarHBondContact O-N 3.33Å; Q33-V75 HydrophobicContact CB-CG1 4.39Å; Q33-V75 HydrophobicContact CB-CG2 4.31Å
34K91.1Very high89.2Confident89 Ų8958.4 Ų58.439%0.38729%0.292SS..Hα-helixtrans-62.8-42.8176.6175173.2179.2177.90112A30 F31 L37 V38 M74 A78A30-K34 WeakPolarHBondContact O-CB 3.5Å; A30-K34 PolarHBondContact O-N 2.77Å; A30-K34 VanDerWaalsContact O-N 3.1Å; F31-K34 WeakPolarHBondContact O-CA 3.25Å; F31-K34 WeakPolarHBondContact O-CB 3.48Å; F31-K34 PolarHBondContact O-N 3.02Å; K34-L37 PolarHBondContact O-N 2.95Å; K34-V38 WeakPolarHBondContact O-CG2 3.12Å; K34-V38 PolarHBondContact O-N 3.32Å; K34-M74 HydrophobicContact CB-CE 4.12Å; K34-M74 HydrophobicContact CD-CE 3.79Å; K34-A78 HydrophobicContact CB-CB 4.39Å; K34-A78 HydrophobicContact CG-CB 3.92Å
35E90.4Very high89.1Confident98 Ų9860.2 Ų60.246%0.45830%0.302SS..Hα-helixtrans-62.5-43176.1-68.5-175.7123.800112.2F31 S32 L37 V38 T39F31-E35 HydrophobicContact CD1-CG 4.24Å; F31-E35 HydrophobicContact CE1-CG 3.9Å; F31-E35 VanDerWaalsContact CE1-OE1 3.3Å; F31-E35 WeakPolarHBondContact CE1-OE1 3.44Å; F31-E35 WeakPolarHBondContact CE1-OE2 3.47Å; F31-E35 HydrophobicContact CZ-CG 4.29Å; F31-E35 PolarHBondContact O-N 3.18Å; S32-E35 PolarHBondContact O-N 2.93Å; E35-L37 PolarHBondContact O-N 3.03Å; E35-V38 PolarHBondContact O-N 3.08Å; E35-T39 WeakPolarHBondContact O-CB 3.2Å; E35-T39 PolarHBondContact O-N 3.42Å; E35-T39 PolarHBondContact O-OG1 3.13Å
36A94Very high89Confident4 Ų459.4 Ų59.43%0.03330%0.304CS..Hα-helixtrans-63.7-40.6176.600000112L19 L23 S32 Q33 T39 I40L19-A36 HydrophobicContact CD2-CB 4.13Å; L23-A36 HydrophobicContact CD2-CB 3.71Å; L23-A36 HydrophobicContact CG-CB 4.08Å; S32-A36 WeakPolarHBondContact O-CB 3.4Å; S32-A36 PolarHBondContact O-N 3.27Å; Q33-A36 PolarHBondContact O-N 3.08Å; A36-T39 PolarHBondContact O-N 3.32Å; A36-I40 WeakPolarHBondContact O-CD1 3.47Å; A36-I40 VanDerWaalsContact O-CG1 3.26Å; A36-I40 WeakPolarHBondContact O-CG1 3.49Å; A36-I40 PolarHBondContact O-N 3Å
37L93Very high89.1Confident0 Ų058.1 Ų58.10%030%0.299CS..Hα-helixtrans-61-46.2173.9-73.7165.5000112.2L23 Q33 K34 E35 T39 I40 H41 V63 L66 V75 A78 A79 T82L23-L37 HydrophobicContact CD1-CD2 3.92Å; L23-L37 HydrophobicContact CD1-CG 4.35Å; L23-L37 HydrophobicContact CD2-CD2 4.39Å; L23-L37 HydrophobicContact CD2-CG 3.96Å; Q33-L37 VanDerWaalsContact O-CG 3.32Å; Q33-L37 WeakPolarHBondContact O-CG 3.34Å; Q33-L37 PolarHBondContact O-N 3.33Å; K34-L37 PolarHBondContact O-N 2.95Å; E35-L37 PolarHBondContact O-N 3.03Å; L37-T39 VanDerWaalsContact C-N 3.33Å; L37-T39 PolarHBondContact O-N 3.45Å; L37-I40 PolarHBondContact O-N 3.38Å; L37-H41 PolarHBondContact O-N 2.86Å; L37-V63 HydrophobicContact CD2-CB 4.39Å; L37-V63 HydrophobicContact CD2-CG1 3.64Å; L37-V63 HydrophobicContact CD2-CG2 3.78Å; L37-L66 HydrophobicContact CD1-CD2 4.14Å; L37-V75 HydrophobicContact CD1-CG1 4.28Å; L37-A78 HydrophobicContact CB-CB 4.33Å; L37-A78 HydrophobicContact CD1-CB 3.88Å; L37-A79 HydrophobicContact CD1-CB 4.02Å; L37-A79 HydrophobicContact CD2-CB 4.47Å; L37-T82 HydrophobicContact CD2-CG2 4.43Å; L37-T82 PolarHBondContact O-OG1 3.18Å
38V90.6Very high89.2Confident71 Ų7157.8 Ų57.843%0.4331%0.306SS..Hα-helixtrans-63.9-37.8176171.90000111.7K34 E35 H41 S42K34-V38 WeakPolarHBondContact O-CG2 3.12Å; K34-V38 PolarHBondContact O-N 3.32Å; E35-V38 PolarHBondContact O-N 3.08Å; V38-H41 WeakPolarHBondContact O-CB 3.49Å; V38-H41 PolarHBondContact O-N 3.25Å; V38-S42 PolarHBondContact O-N 2.9Å
39T91.9Very high89.4Confident62 Ų6254.9 Ų54.938%0.3829%0.29SS..Hα-helixtrans-67.2-43.5176.4-52.40000111.5L19 E35 A36 L37 H41 S42 I43L19-T39 HydrophobicContact CD1-CG2 3.68Å; L19-T39 HydrophobicContact CD2-CG2 4.01Å; E35-T39 WeakPolarHBondContact O-CB 3.2Å; E35-T39 PolarHBondContact O-N 3.42Å; E35-T39 PolarHBondContact O-OG1 3.13Å; A36-T39 PolarHBondContact O-N 3.32Å; L37-T39 VanDerWaalsContact C-N 3.33Å; L37-T39 PolarHBondContact O-N 3.45Å; T39-H41 VanDerWaalsContact C-N 3.34Å; T39-H41 PolarHBondContact O-N 3.36Å; T39-S42 PolarHBondContact O-N 2.9Å; T39-I43 HydrophobicContact CG2-CD1 4.16Å; T39-I43 WeakPolarHBondContact O-CG1 3.49Å; T39-I43 PolarHBondContact O-N 2.93Å
40I93.4Very high89.5Confident0 Ų051.6 Ų51.60%027%0.273CS..Hα-helixtrans-58.2-47.3173.5-70.6162000110.2L16 L19 L23 A36 L37 S42 I43 C44 F54 T82 I86L16-I40 HydrophobicContact CD2-CG1 4.47Å; L16-I40 HydrophobicContact CD2-CG2 4.3Å; L19-I40 HydrophobicContact CB-CD1 3.93Å; L19-I40 HydrophobicContact CB-CG1 3.68Å; L19-I40 HydrophobicContact CD1-CG1 3.97Å; L19-I40 HydrophobicContact CG-CG1 4.38Å; L23-I40 HydrophobicContact CD1-CD1 3.62Å; L23-I40 HydrophobicContact CG-CD1 4.44Å; A36-I40 WeakPolarHBondContact O-CD1 3.47Å; A36-I40 VanDerWaalsContact O-CG1 3.26Å; A36-I40 WeakPolarHBondContact O-CG1 3.49Å; A36-I40 PolarHBondContact O-N 3Å; L37-I40 PolarHBondContact O-N 3.38Å; I40-S42 PolarHBondContact O-N 3.07Å; I40-I43 PolarHBondContact O-N 3.19Å; I40-C44 WeakPolarHBondContact O-CB 3.39Å; I40-C44 PolarHBondContact O-N 2.92Å; I40-C44 PolarHBondContact O-SG 2.91Å; I40-C44 VanDerWaalsContact O-SG 3.38Å; I40-F54 HydrophobicContact CD1-CE2 3.96Å; I40-F54 HydrophobicContact CD1-CZ 4.06Å; I40-F54 HydrophobicContact CG1-CE2 4.34Å; I40-F54 HydrophobicContact CG2-CD1 4.27Å; I40-F54 HydrophobicContact CG2-CD2 4.1Å; I40-F54 HydrophobicContact CG2-CE1 3.98Å; I40-F54 HydrophobicContact CG2-CE2 3.8Å; I40-F54 HydrophobicContact CG2-CG 4.33Å; I40-F54 HydrophobicContact CG2-CZ 3.74Å; I40-T82 HydrophobicContact CG2-CG2 4.22Å; I40-I86 HydrophobicContact CG2-CD1 4.12Å
41H91Very high89.5Confident21 Ų2151.1 Ų51.110%0.09727%0.268CS..Hα-helixtrans-55.1-49.1175.316467.1000112.1L37 V38 T39 I43 C44 Q45 Y81 T82 A85L37-H41 PolarHBondContact O-N 2.86Å; V38-H41 WeakPolarHBondContact O-CB 3.49Å; V38-H41 PolarHBondContact O-N 3.25Å; T39-H41 VanDerWaalsContact C-N 3.34Å; T39-H41 PolarHBondContact O-N 3.36Å; H41-I43 PolarHBondContact O-N 3.32Å; H41-C44 CarbonylContact O-C 3.52Å; H41-C44 PolarHBondContact O-N 3.21Å; H41-Q45 WeakPolarHBondContact O-CB 3.45Å; H41-Q45 PolarHBondContact O-N 3Å; H41-Y81 AromaticContact CD2-CE1 3.64Å; H41-Y81 AromaticContact CE1-CE1 3.77Å; H41-Y81 AromaticContact CE1-CZ 3.74Å; H41-Y81 PolarHBondContact CE1-OH 3.31Å; H41-Y81 AromaticContact CG-CE1 3.89Å; H41-Y81 AromaticContact ND1-CE1 3.97Å; H41-Y81 AromaticContact NE2-CE1 3.55Å; H41-Y81 AromaticContact NE2-CZ 3.69Å; H41-Y81 PolarHBondContact NE2-OH 2.98Å; H41-T82 HydrophobicContact CB-CG2 4.24Å; H41-A85 VanDerWaalsContact CE1-CB 3.46Å; H41-A85 WeakPolarHBondContact CE1-CB 3.4Å; H41-A85 VanDerWaalsContact ND1-CB 3.33Å; H41-A85 WeakPolarHBondContact ND1-CB 3.45Å
42S90.8Very high89.6Confident42 Ų4247 Ų4729%0.29425%0.253SS..Hα-helixtrans-60.3-43.8179.8-174.70000112.7V38 T39 I40 C44 Q45 Q46V38-S42 PolarHBondContact O-N 2.9Å; T39-S42 PolarHBondContact O-N 2.9Å; I40-S42 PolarHBondContact O-N 3.07Å; S42-C44 PolarHBondContact O-N 3.5Å; S42-Q45 PolarHBondContact O-N 3.15Å; S42-Q46 VanDerWaalsContact O-CG 3.32Å; S42-Q46 WeakPolarHBondContact O-CG 3.43Å; S42-Q46 PolarHBondContact O-N 3.02Å; S42-Q46 VanDerWaalsContact O-N 3.08Å; S42-Q46 PolarHBondContact OG-NE2 2.78Å; S42-Q46 VanDerWaalsContact OG-NE2 3.12Å
43I91.4Very high89.8Confident32 Ų3247.6 Ų47.616%0.16425%0.251CS..Hα-helixtrans-64.1-41.9176.1-63.9166.8000110.9M12 D15 L16 L19 T39 I40 H41 Q46 N47 A50M12-I43 HydrophobicContact CG-CG2 3.69Å; D15-I43 HydrophobicContact CB-CD1 4.24Å; L16-I43 HydrophobicContact CD1-CG2 4.19Å; L16-I43 HydrophobicContact CD2-CB 4.24Å; L16-I43 HydrophobicContact CD2-CD1 4.39Å; L16-I43 HydrophobicContact CD2-CG2 3.95Å; L16-I43 HydrophobicContact CG-CG2 4.04Å; L19-I43 HydrophobicContact CD1-CD1 3.54Å; T39-I43 HydrophobicContact CG2-CD1 4.16Å; T39-I43 WeakPolarHBondContact O-CG1 3.49Å; T39-I43 PolarHBondContact O-N 2.93Å; I40-I43 PolarHBondContact O-N 3.19Å; H41-I43 PolarHBondContact O-N 3.32Å; I43-Q46 PolarHBondContact O-N 3.26Å; I43-N47 PolarHBondContact O-N 3.12Å; I43-A50 HydrophobicContact CG2-CB 3.88Å
44C89.6Confident90Very high6 Ų647.5 Ų47.54%0.04125%0.251CS..Hα-helixtrans-68.4-31.3177-73.90000113.9I40 H41 S42 S51 I86I40-C44 WeakPolarHBondContact O-CB 3.39Å; I40-C44 PolarHBondContact O-N 2.92Å; I40-C44 PolarHBondContact O-SG 2.91Å; I40-C44 VanDerWaalsContact O-SG 3.38Å; H41-C44 CarbonylContact O-C 3.52Å; H41-C44 PolarHBondContact O-N 3.21Å; S42-C44 PolarHBondContact O-N 3.5Å; C44-S51 WeakPolarHBondContact CB-OG 3.39Å; C44-S51 PolarHBondContact O-OG 3.44Å; C44-I86 HydrophobicContact CB-CD1 4.04Å; C44-I86 HydrophobicContact CB-CG1 3.73Å
45Q86.3Confident90.1Very high116 Ų11646.1 Ų46.154%0.54224%0.243SC..Hα-helixtrans-71.1-38.9175.2-170.7-175.133.200111.6H41 S42H41-Q45 WeakPolarHBondContact O-CB 3.45Å; H41-Q45 PolarHBondContact O-N 3Å; S42-Q45 PolarHBondContact O-N 3.15Å
46Q85.1Confident90.2Very high155 Ų15547.5 Ų47.572%0.72425%0.25SC*.Hα-helixtrans-78.6-22.1-178-68.817640.100113.9S42 I43S42-Q46 VanDerWaalsContact O-CG 3.32Å; S42-Q46 WeakPolarHBondContact O-CG 3.43Å; S42-Q46 PolarHBondContact O-N 3.02Å; S42-Q46 VanDerWaalsContact O-N 3.08Å; S42-Q46 PolarHBondContact OG-NE2 2.78Å; S42-Q46 VanDerWaalsContact OG-NE2 3.12Å; I43-Q46 PolarHBondContact O-N 3.26Å
47N83.4Confident90.2Very high46 Ų4649.5 Ų49.525%0.24626%0.259CS..  trans-142114.9-177.5-169.8-21.8000112.2M12 I43 N49 A50M12-N47 HydrophobicContact SD-CB 4.18Å; M12-N47 PolarHBondContact SD-ND2 2.97Å; I43-N47 PolarHBondContact O-N 3.12Å; N47-N49 PolarHBondContact O-N 3.32Å; N47-N49 VanDerWaalsContact O-N 3.09Å; N47-N49 WeakPolarHBondContact OD1-CB 3.42Å; N47-N49 PolarHBondContact OD1-N 3.09Å; N47-N49 PolarHBondContact OD1-ND2 2.81Å; N47-N49 VanDerWaalsContact OD1-ND2 3.15Å; N47-A50 HydrophobicContact CB-CB 4.18Å; N47-A50 VanDerWaalsContact O-CB 3.22Å; N47-A50 WeakPolarHBondContact O-CB 3.42Å; N47-A50 PolarHBondContact O-N 2.96Å
48S79.9Confident90.3Very high81 Ų8151.1 Ų51.157%0.56628%0.276SS*.Hα-helixtrans-60-24.2178.856.90000114
49N86.8Confident90.5Very high97 Ų9747.8 Ų47.852%0.51926%0.256SS..Hα-helixtrans-77.3-22.5174.5-57.8-76000113N47 V52 Y53N47-N49 PolarHBondContact O-N 3.32Å; N47-N49 VanDerWaalsContact O-N 3.09Å; N47-N49 WeakPolarHBondContact OD1-CB 3.42Å; N47-N49 PolarHBondContact OD1-N 3.09Å; N47-N49 PolarHBondContact OD1-ND2 2.81Å; N47-N49 VanDerWaalsContact OD1-ND2 3.15Å; N49-V52 PolarHBondContact O-N 3.06Å; N49-Y53 WeakPolarHBondContact O-CB 3.24Å; N49-Y53 PolarHBondContact O-N 3.47Å
50A90.8Very high90.7Very high0 Ų044.9 Ų44.90%024%0.238CC..Hα-helixtrans-63.7-48.6173.700000110.5M12 L16 I43 N47 V52 Y53 F54M12-A50 HydrophobicContact CE-CB 4.3Å; M12-A50 HydrophobicContact CG-CB 4.22Å; M12-A50 HydrophobicContact SD-CB 3.63Å; L16-A50 HydrophobicContact CD1-CB 3.81Å; I43-A50 HydrophobicContact CG2-CB 3.88Å; N47-A50 HydrophobicContact CB-CB 4.18Å; N47-A50 VanDerWaalsContact O-CB 3.22Å; N47-A50 WeakPolarHBondContact O-CB 3.42Å; N47-A50 PolarHBondContact O-N 2.96Å; A50-V52 VanDerWaalsContact C-N 3.31Å; A50-V52 PolarHBondContact O-N 3.25Å; A50-Y53 PolarHBondContact O-N 3.44Å; A50-Y53 VanDerWaalsContact O-N 3.16Å; A50-F54 WeakPolarHBondContact O-CB 3.39Å; A50-F54 PolarHBondContact O-N 2.87Å
51S90.6Very high90.7Very high2 Ų248.6 Ų48.61%0.01426%0.257CS..Hα-helixtrans-56.9-42.7176.1-57.60000112.7C44 R55 C93C44-S51 WeakPolarHBondContact CB-OG 3.39Å; C44-S51 PolarHBondContact O-OG 3.44Å; S51-R55 PolarHBondContact O-N 3.45Å; S51-R55 VanDerWaalsContact O-N 3.15Å; S51-C93 PolarHBondContact O-SG 3.15Å
52V90.6Very high90.9Very high36 Ų3650.1 Ų50.122%0.21826%0.263CS..Hα-helixtrans-63.8-46.7175.6173.50000111.1N49 A50 R55 E56N49-V52 PolarHBondContact O-N 3.06Å; A50-V52 VanDerWaalsContact C-N 3.31Å; A50-V52 PolarHBondContact O-N 3.25Å; V52-R55 WeakPolarHBondContact O-CB 3.32Å; V52-R55 PolarHBondContact O-N 3.17Å; V52-E56 WeakPolarHBondContact O-CG 3.36Å; V52-E56 PolarHBondContact O-N 2.86Å
53Y93.8Very high91.2Very high40 Ų4048.1 Ų48.116%0.15725%0.249CC..Hα-helixtrans-68.7-37.3179.8-176.8-111.6000113.1K13 L16 N17 N49 A50 R55 E56 I57K13-Y53 HydrophobicContact CB-CD1 4.04Å; K13-Y53 HydrophobicContact CB-CE1 3.6Å; K13-Y53 HydrophobicContact CD-CD1 4.13Å; K13-Y53 HydrophobicContact CD-CD2 3.82Å; K13-Y53 HydrophobicContact CD-CE1 4.04Å; K13-Y53 HydrophobicContact CD-CE2 3.76Å; K13-Y53 HydrophobicContact CD-CG 4Å; K13-Y53 HydrophobicContact CG-CD1 3.59Å; K13-Y53 HydrophobicContact CG-CD2 4.21Å; K13-Y53 HydrophobicContact CG-CE1 3.61Å; K13-Y53 HydrophobicContact CG-CE2 4.25Å; K13-Y53 HydrophobicContact CG-CG 3.88Å; L16-Y53 HydrophobicContact CD1-CD1 4.1Å; N17-Y53 PolarHBondContact ND2-OH 3.13Å; N49-Y53 WeakPolarHBondContact O-CB 3.24Å; N49-Y53 PolarHBondContact O-N 3.47Å; A50-Y53 PolarHBondContact O-N 3.44Å; A50-Y53 VanDerWaalsContact O-N 3.16Å; Y53-R55 VanDerWaalsContact C-N 3.27Å; Y53-R55 PolarHBondContact O-N 3.16Å; Y53-E56 HydrophobicContact CD2-CB 4.46Å; Y53-E56 WeakPolarHBondContact O-CB 3.29Å; Y53-E56 PolarHBondContact O-N 3.15Å; Y53-I57 HydrophobicContact CD1-CG2 4.43Å; Y53-I57 HydrophobicContact CD2-CG2 4.31Å; Y53-I57 HydrophobicContact CE1-CD1 4.25Å; Y53-I57 HydrophobicContact CE1-CG2 3.86Å; Y53-I57 HydrophobicContact CE2-CG2 3.69Å; Y53-I57 VanDerWaalsContact CZ-CG2 3.44Å; Y53-I57 PolarHBondContact O-N 3.1Å
54F94.9Very high91.4Very high0 Ų046.7 Ų46.70%024%0.242CC..Hα-helixtrans-63.6-33.7176-169.7-109.5000111.7L16 L20 I40 A50 I57 G59 L60 V63 I86L16-F54 HydrophobicContact CD2-CD2 4.21Å; L20-F54 HydrophobicContact CB-CE2 4.47Å; L20-F54 HydrophobicContact CD1-CE2 4.4Å; I40-F54 HydrophobicContact CD1-CE2 3.96Å; I40-F54 HydrophobicContact CD1-CZ 4.06Å; I40-F54 HydrophobicContact CG1-CE2 4.34Å; I40-F54 HydrophobicContact CG2-CD1 4.27Å; I40-F54 HydrophobicContact CG2-CD2 4.1Å; I40-F54 HydrophobicContact CG2-CE1 3.98Å; I40-F54 HydrophobicContact CG2-CE2 3.8Å; I40-F54 HydrophobicContact CG2-CG 4.33Å; I40-F54 HydrophobicContact CG2-CZ 3.74Å; A50-F54 WeakPolarHBondContact O-CB 3.39Å; A50-F54 PolarHBondContact O-N 2.87Å; F54-I57 HydrophobicContact CD2-CD1 4.22Å; F54-I57 WeakPolarHBondContact O-CG1 3.37Å; F54-G59 WeakPolarHBondContact O-CA 3.44Å; F54-G59 PolarHBondContact O-N 2.84Å; F54-L60 HydrophobicContact CD1-CD2 3.9Å; F54-L60 HydrophobicContact CD1-CG 4.24Å; F54-L60 HydrophobicContact CE1-CD2 4.12Å; F54-V63 HydrophobicContact CE1-CG2 4.16Å; F54-V63 HydrophobicContact CZ-CG2 3.87Å; F54-I86 HydrophobicContact CD1-CD1 4.07Å; F54-I86 HydrophobicContact CE1-CD1 4.28Å
55R94.1Very high91.7Very high59 Ų5950.1 Ų50.122%0.22326%0.259CS..Hα-helixtrans-65.2-48.5165.9-178.1-173.666.9-1119.7111.9S51 V52 Y53 I57 G58 L60 Y92 C93 T96S51-R55 PolarHBondContact O-N 3.45Å; S51-R55 VanDerWaalsContact O-N 3.15Å; V52-R55 WeakPolarHBondContact O-CB 3.32Å; V52-R55 PolarHBondContact O-N 3.17Å; Y53-R55 VanDerWaalsContact C-N 3.27Å; Y53-R55 PolarHBondContact O-N 3.16Å; R55-I57 VanDerWaalsContact C-N 3.26Å; R55-I57 PolarHBondContact O-N 2.86Å; R55-G58 PolarHBondContact O-N 3Å; R55-L60 HydrophobicContact CB-CD1 3.83Å; R55-L60 HydrophobicContact CB-CG 4.35Å; R55-L60 HydrophobicContact CG-CD1 3.99Å; R55-Y92 VanDerWaalsContact NH1-CB 3.28Å; R55-C93 PolarHBondContact NH1-SG 3.15Å; R55-C93 VanDerWaalsContact NH1-SG 3.38Å; R55-T96 WeakPolarHBondContact CD-OG1 3.35Å; R55-T96 HydrophobicContact CG-CG2 4.27Å
56E93.1Very high92Very high128 Ų12844.7 Ų44.760%0.59823%0.234SC*.Hα-helixtrans-58.3-33.7-177.8-73.8174.8173.200113.6V52 Y53 G58V52-E56 WeakPolarHBondContact O-CG 3.36Å; V52-E56 PolarHBondContact O-N 2.86Å; Y53-E56 HydrophobicContact CD2-CB 4.46Å; Y53-E56 WeakPolarHBondContact O-CB 3.29Å; Y53-E56 PolarHBondContact O-N 3.15Å; E56-G58 VanDerWaalsContact C-N 3.29Å
57I93.8Very high92.4Very high45 Ų4537.5 Ų37.523%0.23120%0.201CC..THydrogen-bonded Turntrans-85.66.3175.567.9179.7000114L20 Y53 F54 R55 G59L20-I57 HydrophobicContact CD2-CB 4.48Å; L20-I57 HydrophobicContact CD2-CD1 3.69Å; L20-I57 HydrophobicContact CD2-CG1 3.8Å; Y53-I57 HydrophobicContact CD1-CG2 4.43Å; Y53-I57 HydrophobicContact CD2-CG2 4.31Å; Y53-I57 HydrophobicContact CE1-CD1 4.25Å; Y53-I57 HydrophobicContact CE1-CG2 3.86Å; Y53-I57 HydrophobicContact CE2-CG2 3.69Å; Y53-I57 VanDerWaalsContact CZ-CG2 3.44Å; Y53-I57 PolarHBondContact O-N 3.1Å; F54-I57 HydrophobicContact CD2-CD1 4.22Å; F54-I57 WeakPolarHBondContact O-CG1 3.37Å; R55-I57 VanDerWaalsContact C-N 3.26Å; R55-I57 PolarHBondContact O-N 2.86Å; I57-G59 VanDerWaalsContact C-N 3.3Å; I57-G59 PolarHBondContact O-N 3.12Å
58G93.7Very high92.9Very high35 Ų3539 Ų3936%0.36121%0.205SC..THydrogen-bonded Turntrans77.38.1-179.700000115.1R55 E56 L60 M61 F62R55-G58 PolarHBondContact O-N 3Å; E56-G58 VanDerWaalsContact C-N 3.29Å; G58-L60 VanDerWaalsContact C-N 3.32Å; G58-L60 PolarHBondContact O-N 2.83Å; G58-M61 PolarHBondContact O-N 3.46Å; G58-M61 VanDerWaalsContact O-N 3.09Å; G58-F62 PolarHBondContact O-N 3.45Å; G58-F62 VanDerWaalsContact O-N 3.13Å
59G95.7Very high93.4Very high0 Ų039 Ų390%021%0.206CC..Hα-helixtrans-58.1-38.4-175.500000113.8F54 I57 M61 F62 V63F54-G59 WeakPolarHBondContact O-CA 3.44Å; F54-G59 PolarHBondContact O-N 2.84Å; I57-G59 VanDerWaalsContact C-N 3.3Å; I57-G59 PolarHBondContact O-N 3.12Å; G59-M61 VanDerWaalsContact C-N 3.35Å; G59-M61 PolarHBondContact O-N 3.13Å; G59-F62 PolarHBondContact O-N 3.42Å; G59-V63 WeakPolarHBondContact O-CG2 3.38Å; G59-V63 PolarHBondContact O-N 3.1Å
60L94.9Very high93.6Very high2 Ų235 Ų351%0.0119%0.185CC..Hα-helixtrans-59.3-42.1175.1-67-177.5000112.9F54 R55 G58 V63 K64 L83 I86 C93 L97F54-L60 HydrophobicContact CD1-CD2 3.9Å; F54-L60 HydrophobicContact CD1-CG 4.24Å; F54-L60 HydrophobicContact CE1-CD2 4.12Å; R55-L60 HydrophobicContact CB-CD1 3.83Å; R55-L60 HydrophobicContact CB-CG 4.35Å; R55-L60 HydrophobicContact CG-CD1 3.99Å; G58-L60 VanDerWaalsContact C-N 3.32Å; G58-L60 PolarHBondContact O-N 2.83Å; L60-V63 PolarHBondContact O-N 2.92Å; L60-K64 WeakPolarHBondContact O-CB 3.28Å; L60-K64 PolarHBondContact O-N 3.03Å; L60-L83 HydrophobicContact CD2-CD2 4.09Å; L60-I86 HydrophobicContact CD2-CB 4.39Å; L60-I86 HydrophobicContact CD2-CD1 4.46Å; L60-I86 HydrophobicContact CD2-CG2 3.9Å; L60-C93 HydrophobicContact CD1-CB 3.7Å; L60-L97 HydrophobicContact CB-CD2 4.34Å; L60-L97 HydrophobicContact CD1-CD1 4.46Å; L60-L97 HydrophobicContact CD1-CG 4.49Å; L60-L97 HydrophobicContact CD2-CD1 4.38Å
61M94.8Very high93.4Very high78 Ų7843.8 Ų43.838%0.38423%0.226SC..Hα-helixtrans-71.2-34.9178.4-67.9-56.1-58.400111.5G58 G59 K64 N65G58-M61 PolarHBondContact O-N 3.46Å; G58-M61 VanDerWaalsContact O-N 3.09Å; G59-M61 VanDerWaalsContact C-N 3.35Å; G59-M61 PolarHBondContact O-N 3.13Å; M61-K64 HydrophobicContact CE-CD 4.14Å; M61-N65 WeakPolarHBondContact O-CB 3.34Å; M61-N65 PolarHBondContact O-N 3.36Å; M61-N65 PolarHBondContact O-OD1 3.16Å
62F95.5Very high93.3Very high52 Ų5247.9 Ų47.923%0.22825%0.245CC..Hα-helixtrans-63.1-46.9172.6-173.6-86.6000111.7L20 L23 K24 G58 G59 N65 L66L20-F62 HydrophobicContact CD1-CB 3.9Å; L20-F62 HydrophobicContact CD1-CD1 3.91Å; L20-F62 HydrophobicContact CD1-CG 3.92Å; L23-F62 HydrophobicContact CB-CD1 4.35Å; L23-F62 HydrophobicContact CB-CE1 3.7Å; L23-F62 HydrophobicContact CB-CZ 4.46Å; L23-F62 HydrophobicContact CD1-CD1 4.48Å; L23-F62 HydrophobicContact CD1-CE1 4.5Å; K24-F62 HydrophobicContact CB-CZ 4.43Å; K24-F62 HydrophobicContact CG-CD2 4.13Å; K24-F62 HydrophobicContact CG-CE1 4.44Å; K24-F62 HydrophobicContact CG-CE2 3.5Å; K24-F62 VanDerWaalsContact CG-CE2 3.5Å; K24-F62 HydrophobicContact CG-CZ 3.69Å; G58-F62 PolarHBondContact O-N 3.45Å; G58-F62 VanDerWaalsContact O-N 3.13Å; G59-F62 PolarHBondContact O-N 3.42Å; F62-N65 PolarHBondContact O-N 2.96Å; F62-L66 HydrophobicContact CE1-CB 4.43Å; F62-L66 HydrophobicContact CE1-CD2 4.37Å; F62-L66 WeakPolarHBondContact O-CB 3.3Å; F62-L66 PolarHBondContact O-N 3.31Å
63V96.3Very high93.2Very high0 Ų048.2 Ų48.20%025%0.249CC..Hα-helixtrans-68.6-34.7180179.50000111.9L23 L37 F54 G59 L60 L66 A67 A79 L83L23-V63 HydrophobicContact CD1-CG2 4.21Å; L37-V63 HydrophobicContact CD2-CB 4.39Å; L37-V63 HydrophobicContact CD2-CG1 3.64Å; L37-V63 HydrophobicContact CD2-CG2 3.78Å; F54-V63 HydrophobicContact CE1-CG2 4.16Å; F54-V63 HydrophobicContact CZ-CG2 3.87Å; G59-V63 WeakPolarHBondContact O-CG2 3.38Å; G59-V63 PolarHBondContact O-N 3.1Å; L60-V63 PolarHBondContact O-N 2.92Å; V63-L66 PolarHBondContact O-N 2.96Å; V63-A67 PolarHBondContact O-N 3.39Å; V63-A79 HydrophobicContact CG1-CB 3.72Å; V63-L83 HydrophobicContact CB-CD2 3.96Å; V63-L83 HydrophobicContact CB-CG 4.31Å; V63-L83 HydrophobicContact CG1-CD1 4.16Å; V63-L83 HydrophobicContact CG1-CD2 3.96Å; V63-L83 HydrophobicContact CG1-CG 3.75Å
64K96.2Very high93Very high3 Ų349.4 Ų49.41%0.01326%0.257CS..Hα-helixtrans-56-51.8167.8167.6174170.2-178.40110.9L60 M61 L66 A67 K68 L83 T99 E101 L102L60-K64 WeakPolarHBondContact O-CB 3.28Å; L60-K64 PolarHBondContact O-N 3.03Å; M61-K64 HydrophobicContact CE-CD 4.14Å; K64-L66 VanDerWaalsContact C-N 3.3Å; K64-L66 PolarHBondContact O-N 2.78Å; K64-A67 WeakPolarHBondContact O-CB 3.45Å; K64-A67 PolarHBondContact O-N 3.07Å; K64-K68 PolarHBondContact O-N 3.32Å; K64-K68 VanDerWaalsContact O-N 3.11Å; K64-L83 HydrophobicContact CB-CD1 4.29Å; K64-T99 PolarHBondContact NZ-OG1 3.16Å; K64-E101 WeakPolarHBondContact CE-OE2 3.46Å; K64-E101 IonicContact NZ-OE2 2.66Å; K64-E101 PolarHBondContact NZ-OE2 3.5Å; K64-L102 HydrophobicContact CD-CB 4.27Å; K64-L102 HydrophobicContact CD-CD1 4.21Å; K64-L102 HydrophobicContact CG-CD1 4.21Å
65N94.6Very high92.8Very high77 Ų7749.4 Ų49.441%0.41226%0.257SS..Hα-helixtrans-64.5-37-178.2-67.41.1000111.5M61 F62 K68 S69M61-N65 WeakPolarHBondContact O-CB 3.34Å; M61-N65 PolarHBondContact O-N 3.36Å; M61-N65 PolarHBondContact O-OD1 3.16Å; F62-N65 PolarHBondContact O-N 2.96Å; N65-K68 WeakPolarHBondContact O-CB 3.24Å; N65-K68 PolarHBondContact O-N 3.44Å; N65-S69 WeakPolarHBondContact O-CB 3.34Å; N65-S69 PolarHBondContact O-N 3.07Å; N65-S69 PolarHBondContact O-OG 3.3Å
66L93.6Very high92.8Very high3 Ų348.3 Ų48.32%0.01625%0.254CS..Hα-helixtrans-64-40.4174.8-177.463.5000112.6L23 M27 L37 F62 V63 K64 K68 S70 V75L23-L66 HydrophobicContact CD2-CD2 4.3Å; M27-L66 HydrophobicContact CE-CD1 4.4Å; L37-L66 HydrophobicContact CD1-CD2 4.14Å; F62-L66 HydrophobicContact CE1-CB 4.43Å; F62-L66 HydrophobicContact CE1-CD2 4.37Å; F62-L66 WeakPolarHBondContact O-CB 3.3Å; F62-L66 PolarHBondContact O-N 3.31Å; V63-L66 PolarHBondContact O-N 2.96Å; K64-L66 VanDerWaalsContact C-N 3.3Å; K64-L66 PolarHBondContact O-N 2.78Å; L66-K68 VanDerWaalsContact C-N 3.28Å; L66-K68 PolarHBondContact O-N 3.19Å; L66-S70 VanDerWaalsContact O-CB 3.26Å; L66-S70 WeakPolarHBondContact O-CB 3.48Å; L66-S70 PolarHBondContact O-N 3.5Å; L66-V75 HydrophobicContact CD1-CG1 4.01Å; L66-V75 HydrophobicContact CD2-CG1 3.91Å; L66-V75 HydrophobicContact CG-CG1 3.81Å
67A94Very high92.7Very high3 Ų343.8 Ų43.83%0.02523%0.232CC..Hα-helixtrans-61.5-37.817300000111.9V63 K64 K76 A79 L80 F109V63-A67 PolarHBondContact O-N 3.39Å; K64-A67 WeakPolarHBondContact O-CB 3.45Å; K64-A67 PolarHBondContact O-N 3.07Å; A67-K76 VanDerWaalsContact O-CD 3.23Å; A67-K76 WeakPolarHBondContact O-CD 3.28Å; A67-K76 WeakPolarHBondContact O-CG 3.19Å; A67-A79 HydrophobicContact CB-CB 3.78Å; A67-L80 HydrophobicContact CB-CD2 4.14Å; A67-L80 HydrophobicContact CB-CG 4.19Å; A67-F109 WeakPolarHBondContact O-CZ 3.3Å
68K92.8Very high92.7Very high77 Ų7742.1 Ų42.134%0.33523%0.225SC..Hα-helixtrans-67-56.5175.8-163.2174.9-169.1134.20111.6K64 N65 L66 K76 E101 D105K64-K68 PolarHBondContact O-N 3.32Å; K64-K68 VanDerWaalsContact O-N 3.11Å; N65-K68 WeakPolarHBondContact O-CB 3.24Å; N65-K68 PolarHBondContact O-N 3.44Å; L66-K68 VanDerWaalsContact C-N 3.28Å; L66-K68 PolarHBondContact O-N 3.19Å; K68-K76 PolarHBondContact O-NZ 3.01Å; K68-E101 IonicContact NZ-OE1 3.8Å; K68-E101 PolarHBondContact NZ-OE1 3.44Å; K68-D105 WeakPolarHBondContact CD-OD2 3.46Å; K68-D105 WeakPolarHBondContact CE-OD1 3.47Å; K68-D105 WeakPolarHBondContact CE-OD2 3.44Å; K68-D105 IonicContact NZ-OD1 3.66Å; K68-D105 PolarHBondContact NZ-OD1 3.1Å; K68-D105 IonicContact NZ-OD2 2.75Å; K68-D105 PolarHBondContact NZ-OD2 3.47Å
69S91.4Very high92.8Very high82 Ų8240.4 Ų40.457%0.57321%0.208SC*.Hα-helixtrans-92.8-17.7-163.769.60000116.9N65N65-S69 WeakPolarHBondContact O-CB 3.34Å; N65-S69 PolarHBondContact O-N 3.07Å; N65-S69 PolarHBondContact O-OG 3.3Å
70S89.6Confident92.8Very high13 Ų1340.4 Ų40.49%0.09121%0.208CC..  trans-62.3147.1179.7-172.70000111.4L66 H72 K76L66-S70 VanDerWaalsContact O-CB 3.26Å; L66-S70 WeakPolarHBondContact O-CB 3.48Å; L66-S70 PolarHBondContact O-N 3.5Å; S70-H72 PolarHBondContact OG-N 2.9Å; S70-K76 WeakPolarHBondContact O-CE 3.32Å; S70-K76 PolarHBondContact O-NZ 2.75Å; S70-K76 VanDerWaalsContact O-NZ 3.12Å
71E87.5Confident92.7Very high184 Ų18441.6 Ų41.686%0.8621%0.212SC*.SBendtrans-83.2-22171.5-60.3-171.6168.900111.7
72H89.1Confident92.7Very high88 Ų8837.9 Ų37.941%0.40719%0.194SC..  trans-92.3115.7-171.5-58.3-68.8000112.5A30 S70 M74 V75 K76A30-H72 HydrophobicContact CB-CB 3.98Å; S70-H72 PolarHBondContact OG-N 2.9Å; H72-M74 HydrophobicContact CB-CG 4.2Å; H72-M74 PolarHBondContact O-N 3.19Å; H72-M74 VanDerWaalsContact O-N 3.15Å; H72-V75 HydrophobicContact CB-CB 4.43Å; H72-V75 HydrophobicContact CB-CG2 3.99Å; H72-V75 PolarHBondContact O-N 3.24Å; H72-K76 PolarHBondContact O-N 2.86Å
73S88.5Confident92.7Very high43 Ų4335.5 Ų35.530%0.30118%0.184SC..Hα-helixtrans-51.3-40.8178.3-164.30000112.8V75 K76 E77S73-V75 PolarHBondContact O-N 3.36Å; S73-K76 PolarHBondContact O-N 2.91Å; S73-K76 VanDerWaalsContact O-N 3.12Å; S73-E77 WeakPolarHBondContact CB-OE1 3.49Å; S73-E77 WeakPolarHBondContact O-CB 3.43Å; S73-E77 VanDerWaalsContact O-CG 3.28Å; S73-E77 WeakPolarHBondContact O-CG 3.38Å; S73-E77 PolarHBondContact O-N 2.81Å; S73-E77 PolarHBondContact OG-OE1 3.32Å
74M89.1Confident92.6Very high65 Ų6535.5 Ų35.532%0.3218%0.184SC..Hα-helixtrans-60.4-2717865.5180-78.100114.5A30 F31 K34 H72 A78A30-M74 HydrophobicContact CB-CE 4.43Å; A30-M74 HydrophobicContact CB-CG 4.37Å; A30-M74 HydrophobicContact CB-SD 4.05Å; F31-M74 HydrophobicContact CB-CE 4.44Å; F31-M74 HydrophobicContact CD2-CE 4.41Å; K34-M74 HydrophobicContact CB-CE 4.12Å; K34-M74 HydrophobicContact CD-CE 3.79Å; H72-M74 HydrophobicContact CB-CG 4.2Å; H72-M74 PolarHBondContact O-N 3.19Å; H72-M74 VanDerWaalsContact O-N 3.15Å; M74-A78 WeakPolarHBondContact O-CB 3.37Å; M74-A78 PolarHBondContact O-N 3.45Å
75V91.7Very high92.4Very high0 Ų035.7 Ų35.70%019%0.186CC..Hα-helixtrans-83.6-40.2176-179.20000109.9A30 Q33 L37 L66 H72 S73 A78 A79A30-V75 HydrophobicContact CB-CG2 3.74Å; Q33-V75 HydrophobicContact CB-CG1 4.39Å; Q33-V75 HydrophobicContact CB-CG2 4.31Å; L37-V75 HydrophobicContact CD1-CG1 4.28Å; L66-V75 HydrophobicContact CD1-CG1 4.01Å; L66-V75 HydrophobicContact CD2-CG1 3.91Å; L66-V75 HydrophobicContact CG-CG1 3.81Å; H72-V75 HydrophobicContact CB-CB 4.43Å; H72-V75 HydrophobicContact CB-CG2 3.99Å; H72-V75 PolarHBondContact O-N 3.24Å; S73-V75 PolarHBondContact O-N 3.36Å; V75-A78 PolarHBondContact O-N 2.8Å; V75-A79 WeakPolarHBondContact O-CB 3.46Å; V75-A79 PolarHBondContact O-N 3.22Å
76K93.4Very high92.3Very high37 Ų3732.1 Ų32.116%0.16117%0.167CC..Hα-helixtrans-58.7-48.5172.4-57.4-160.1-179.3-151.40111.7A67 K68 S70 H72 S73 A78 A79 L80 F109 L118A67-K76 VanDerWaalsContact O-CD 3.23Å; A67-K76 WeakPolarHBondContact O-CD 3.28Å; A67-K76 WeakPolarHBondContact O-CG 3.19Å; K68-K76 PolarHBondContact O-NZ 3.01Å; S70-K76 WeakPolarHBondContact O-CE 3.32Å; S70-K76 PolarHBondContact O-NZ 2.75Å; S70-K76 VanDerWaalsContact O-NZ 3.12Å; H72-K76 PolarHBondContact O-N 2.86Å; S73-K76 PolarHBondContact O-N 2.91Å; S73-K76 VanDerWaalsContact O-N 3.12Å; K76-A78 PolarHBondContact O-N 2.97Å; K76-A79 PolarHBondContact O-N 3.32Å; K76-L80 WeakPolarHBondContact O-CB 3.46Å; K76-L80 VanDerWaalsContact O-CG 3.32Å; K76-L80 WeakPolarHBondContact O-CG 3.39Å; K76-L80 PolarHBondContact O-N 3.21Å; K76-F109 HydrophobicContact CD-CE1 4.2Å; K76-F109 HydrophobicContact CD-CZ 4.45Å; K76-L118 HydrophobicContact CB-CD1 3.66Å; K76-L118 HydrophobicContact CD-CD1 4.5Å; K76-L118 HydrophobicContact CD-CD2 4.49Å
77E91.8Very high92.3Very high33 Ų3332.1 Ų32.115%0.15417%0.167CC..Hα-helixtrans-57.3-48.9177.2-72.3163.1-129.900111.2S73 Y81 N117 L118 M121S73-E77 WeakPolarHBondContact CB-OE1 3.49Å; S73-E77 WeakPolarHBondContact O-CB 3.43Å; S73-E77 VanDerWaalsContact O-CG 3.28Å; S73-E77 WeakPolarHBondContact O-CG 3.38Å; S73-E77 PolarHBondContact O-N 2.81Å; S73-E77 PolarHBondContact OG-OE1 3.32Å; E77-Y81 WeakPolarHBondContact O-CB 3.41Å; E77-Y81 PolarHBondContact O-N 3.2Å; E77-N117 HydrophobicContact CG-CB 4.25Å; E77-N117 WeakPolarHBondContact OE2-CB 3.34Å; E77-N117 PolarHBondContact OE2-ND2 2.8Å; E77-L118 HydrophobicContact CG-CB 4.39Å; E77-L118 HydrophobicContact CG-CD1 4.4Å; E77-M121 HydrophobicContact CB-CG 4.24Å; E77-M121 HydrophobicContact CG-CG 4.46Å
78A92.5Very high92.2Very high9 Ų934.5 Ų34.57%0.07418%0.178CC..Hα-helixtrans-67.8-36.2178.700000113.5K34 L37 M74 V75 K76 T82K34-A78 HydrophobicContact CB-CB 4.39Å; K34-A78 HydrophobicContact CG-CB 3.92Å; L37-A78 HydrophobicContact CB-CB 4.33Å; L37-A78 HydrophobicContact CD1-CB 3.88Å; M74-A78 WeakPolarHBondContact O-CB 3.37Å; M74-A78 PolarHBondContact O-N 3.45Å; V75-A78 PolarHBondContact O-N 2.8Å; K76-A78 PolarHBondContact O-N 2.97Å; A78-T82 WeakPolarHBondContact O-CB 3.29Å; A78-T82 PolarHBondContact O-N 3.38Å; A78-T82 PolarHBondContact O-OG1 3.02Å
79A95.9Very high92Very high0 Ų036.5 Ų36.50%019%0.186CC..Hα-helixtrans-69.5-47.4179.100000110.8L37 V63 A67 V75 K76 Y81 T82 L83L37-A79 HydrophobicContact CD1-CB 4.02Å; L37-A79 HydrophobicContact CD2-CB 4.47Å; V63-A79 HydrophobicContact CG1-CB 3.72Å; A67-A79 HydrophobicContact CB-CB 3.78Å; V75-A79 WeakPolarHBondContact O-CB 3.46Å; V75-A79 PolarHBondContact O-N 3.22Å; K76-A79 PolarHBondContact O-N 3.32Å; A79-Y81 PolarHBondContact O-N 3.03Å; A79-T82 PolarHBondContact O-N 3.33Å; A79-L83 VanDerWaalsContact O-CG 3.26Å; A79-L83 WeakPolarHBondContact O-CG 3.49Å; A79-L83 PolarHBondContact O-N 3.13Å
80L95.3Very high91.9Very high0 Ų033.3 Ų33.30%016%0.163CC..Hα-helixtrans-59.5-45.7173.6-70.9174.8000111.7A67 K76 T82 L83 G84 L106 F109 L118 M121 V125A67-L80 HydrophobicContact CB-CD2 4.14Å; A67-L80 HydrophobicContact CB-CG 4.19Å; K76-L80 WeakPolarHBondContact O-CB 3.46Å; K76-L80 VanDerWaalsContact O-CG 3.32Å; K76-L80 WeakPolarHBondContact O-CG 3.39Å; K76-L80 PolarHBondContact O-N 3.21Å; L80-T82 PolarHBondContact O-N 2.77Å; L80-L83 PolarHBondContact O-N 2.93Å; L80-G84 PolarHBondContact O-N 3.07Å; L80-L106 HydrophobicContact CD2-CD2 3.84Å; L80-F109 HydrophobicContact CD1-CD2 3.94Å; L80-F109 HydrophobicContact CD1-CE2 4.24Å; L80-F109 HydrophobicContact CD2-CD2 4.45Å; L80-F109 HydrophobicContact CD2-CE2 4.29Å; L80-L118 HydrophobicContact CD1-CD1 3.72Å; L80-M121 HydrophobicContact CB-CB 3.89Å; L80-M121 HydrophobicContact CD1-CB 4.08Å; L80-V125 HydrophobicContact CB-CG2 4.07Å; L80-V125 HydrophobicContact CD2-CG2 4.26Å; L80-V125 WeakPolarHBondContact O-CG2 3.42Å
81Y93.9Very high92Very high26 Ų2636.9 Ų36.910%0.10218%0.184CC..Hα-helixtrans-56.8-48.6175.2178.3-111.9000112.2H41 E77 A79 L83 G84 A85 M121 Y124 P563H41-Y81 AromaticContact CD2-CE1 3.64Å; H41-Y81 AromaticContact CE1-CE1 3.77Å; H41-Y81 AromaticContact CE1-CZ 3.74Å; H41-Y81 PolarHBondContact CE1-OH 3.31Å; H41-Y81 AromaticContact CG-CE1 3.89Å; H41-Y81 AromaticContact ND1-CE1 3.97Å; H41-Y81 AromaticContact NE2-CE1 3.55Å; H41-Y81 AromaticContact NE2-CZ 3.69Å; H41-Y81 PolarHBondContact NE2-OH 2.98Å; E77-Y81 WeakPolarHBondContact O-CB 3.41Å; E77-Y81 PolarHBondContact O-N 3.2Å; A79-Y81 PolarHBondContact O-N 3.03Å; Y81-L83 VanDerWaalsContact C-N 3.32Å; Y81-L83 PolarHBondContact O-N 3.26Å; Y81-G84 PolarHBondContact O-N 3.17Å; Y81-A85 HydrophobicContact CE2-CB 4.35Å; Y81-A85 WeakPolarHBondContact O-CB 3.35Å; Y81-A85 PolarHBondContact O-N 2.95Å; Y81-M121 HydrophobicContact CD2-SD 4.21Å; Y81-M121 HydrophobicContact CG-SD 4.34Å; Y81-Y124 HydrophobicContact CD2-CD1 4.38Å; Y81-Y124 AromaticContact CD2-CE1 3.97Å; Y81-Y124 HydrophobicContact CD2-CE1 3.97Å; Y81-Y124 HydrophobicContact CE2-CE1 4.19Å; Y81-P563 HydrophobicContact CD2-CB 3.88Å; Y81-P563 HydrophobicContact CD2-CG 4.1Å; Y81-P563 HydrophobicContact CE1-CG 4.13Å; Y81-P563 HydrophobicContact CE2-CB 3.52Å; Y81-P563 HydrophobicContact CE2-CG 3.65Å
82T94.4Very high92.3Very high1 Ų135 Ų351%0.00617%0.17CC..Hα-helixtrans-63-38.2-179.4-59.60000111.6L37 I40 H41 A78 A79 L80 I86L37-T82 HydrophobicContact CD2-CG2 4.43Å; L37-T82 PolarHBondContact O-OG1 3.18Å; I40-T82 HydrophobicContact CG2-CG2 4.22Å; H41-T82 HydrophobicContact CB-CG2 4.24Å; A78-T82 WeakPolarHBondContact O-CB 3.29Å; A78-T82 PolarHBondContact O-N 3.38Å; A78-T82 PolarHBondContact O-OG1 3.02Å; A79-T82 PolarHBondContact O-N 3.33Å; L80-T82 PolarHBondContact O-N 2.77Å; T82-I86 HydrophobicContact CG2-CD1 3.72Å; T82-I86 WeakPolarHBondContact O-CB 3.13Å; T82-I86 WeakPolarHBondContact O-CD1 3.47Å; T82-I86 WeakPolarHBondContact O-CG1 3.4Å; T82-I86 PolarHBondContact O-N 2.94Å; T82-I86 VanDerWaalsContact O-N 3.15Å
83L96.1Very high92.5Very high1 Ų130.9 Ų30.91%0.00515%0.151CC..Hα-helixtrans-65.4-49174.3-68.8169.1000112.1L60 V63 K64 A79 L80 Y81 I86 A87 L97L60-L83 HydrophobicContact CD2-CD2 4.09Å; V63-L83 HydrophobicContact CB-CD2 3.96Å; V63-L83 HydrophobicContact CB-CG 4.31Å; V63-L83 HydrophobicContact CG1-CD1 4.16Å; V63-L83 HydrophobicContact CG1-CD2 3.96Å; V63-L83 HydrophobicContact CG1-CG 3.75Å; K64-L83 HydrophobicContact CB-CD1 4.29Å; A79-L83 VanDerWaalsContact O-CG 3.26Å; A79-L83 WeakPolarHBondContact O-CG 3.49Å; A79-L83 PolarHBondContact O-N 3.13Å; L80-L83 PolarHBondContact O-N 2.93Å; Y81-L83 VanDerWaalsContact C-N 3.32Å; Y81-L83 PolarHBondContact O-N 3.26Å; L83-I86 PolarHBondContact O-N 3.39Å; L83-A87 WeakPolarHBondContact O-CB 3.24Å; L83-A87 PolarHBondContact O-N 3.39Å; L83-L97 HydrophobicContact CB-CD1 4.22Å; L83-L97 HydrophobicContact CD2-CD1 3.99Å; L83-L97 HydrophobicContact CD2-CD2 3.84Å
84G93.4Very high92.8Very high0 Ų029.8 Ų29.80%014%0.141CC..Hα-helixtrans-58-52.8178.200000111.6L80 Y81 I86 A87 E88L80-G84 PolarHBondContact O-N 3.07Å; Y81-G84 PolarHBondContact O-N 3.17Å; G84-I86 VanDerWaalsContact C-N 3.32Å; G84-I86 PolarHBondContact O-N 3.4Å; G84-A87 PolarHBondContact O-N 2.86Å; G84-A87 VanDerWaalsContact O-N 3.14Å; G84-E88 WeakPolarHBondContact O-CB 3.48Å; G84-E88 PolarHBondContact O-N 3.28Å
85A91.4Very high93Very high7 Ų732.1 Ų32.16%0.05815%0.151CC..Hα-helixtrans-65.3-31.4-177.600000113.7H41 Y81 Y124H41-A85 VanDerWaalsContact CE1-CB 3.46Å; H41-A85 WeakPolarHBondContact CE1-CB 3.4Å; H41-A85 VanDerWaalsContact ND1-CB 3.33Å; H41-A85 WeakPolarHBondContact ND1-CB 3.45Å; Y81-A85 HydrophobicContact CE2-CB 4.35Å; Y81-A85 WeakPolarHBondContact O-CB 3.35Å; Y81-A85 PolarHBondContact O-N 2.95Å; A85-Y124 VanDerWaalsContact CA-OH 3.3Å; A85-Y124 WeakPolarHBondContact CA-OH 3.46Å; A85-Y124 PolarHBondContact N-OH 2.97Å
86I93.6Very high93.2Very high2 Ų234.6 Ų34.61%0.0117%0.166CC..Hα-helixtrans-75.5-35.8174.6-65.7171.3000111.4I40 C44 F54 L60 T82 L83 G84 N90 C93I40-I86 HydrophobicContact CG2-CD1 4.12Å; C44-I86 HydrophobicContact CB-CD1 4.04Å; C44-I86 HydrophobicContact CB-CG1 3.73Å; F54-I86 HydrophobicContact CD1-CD1 4.07Å; F54-I86 HydrophobicContact CE1-CD1 4.28Å; L60-I86 HydrophobicContact CD2-CB 4.39Å; L60-I86 HydrophobicContact CD2-CD1 4.46Å; L60-I86 HydrophobicContact CD2-CG2 3.9Å; T82-I86 HydrophobicContact CG2-CD1 3.72Å; T82-I86 WeakPolarHBondContact O-CB 3.13Å; T82-I86 WeakPolarHBondContact O-CD1 3.47Å; T82-I86 WeakPolarHBondContact O-CG1 3.4Å; T82-I86 PolarHBondContact O-N 2.94Å; T82-I86 VanDerWaalsContact O-N 3.15Å; L83-I86 PolarHBondContact O-N 3.39Å; G84-I86 VanDerWaalsContact C-N 3.32Å; G84-I86 PolarHBondContact O-N 3.4Å; I86-N90 WeakPolarHBondContact O-CB 3.22Å; I86-N90 PolarHBondContact O-N 3.11Å; I86-C93 HydrophobicContact CG2-CB 4.12Å
87A93.5Very high93.3Very high3 Ų332.9 Ų32.93%0.02516%0.159CC..Hα-helixtrans-66.8-45.8174.600000112L83 G84 K89 N90 Q94 L97 V128L83-A87 WeakPolarHBondContact O-CB 3.24Å; L83-A87 PolarHBondContact O-N 3.39Å; G84-A87 PolarHBondContact O-N 2.86Å; G84-A87 VanDerWaalsContact O-N 3.14Å; A87-K89 VanDerWaalsContact C-N 3.27Å; A87-K89 PolarHBondContact O-N 3.25Å; A87-N90 CarbonylContact O-C 3.6Å; A87-N90 VanDerWaalsContact O-C 3.31Å; A87-N90 PolarHBondContact O-N 3.24Å; A87-N90 VanDerWaalsContact O-O 3.14Å; A87-Q94 HydrophobicContact CB-CB 4.09Å; A87-L97 HydrophobicContact CB-CD1 4.17Å; A87-V128 HydrophobicContact CB-CG1 3.6Å
88E90.7Very high93.5Very high54 Ų5432 Ų3225%0.25216%0.156SC..Hα-helixtrans-57-38.5-177.3-167.1-155.8122.900112.4G84 Y124 V128 I570G84-E88 WeakPolarHBondContact O-CB 3.48Å; G84-E88 PolarHBondContact O-N 3.28Å; E88-Y124 PolarHBondContact OE2-OH 2.86Å; E88-V128 HydrophobicContact CB-CG1 3.87Å; E88-V128 HydrophobicContact CB-CG2 4Å; E88-V128 HydrophobicContact CG-CG2 4.13Å; E88-I570 HydrophobicContact CG-CD1 4.47Å; E88-I570 WeakPolarHBondContact OE1-CD1 3.45Å; E88-I570 VanDerWaalsContact OE2-CD1 3.27Å; E88-I570 WeakPolarHBondContact OE2-CD1 3.29Å
89K88.8Confident93.7Very high118 Ų11833.8 Ų33.851%0.51317%0.166SC..THydrogen-bonded Turntrans-90.80178.4-51.4-50.3-175-167.90113.8A87A87-K89 VanDerWaalsContact C-N 3.27Å; A87-K89 PolarHBondContact O-N 3.25Å
90N90.4Very high93.8Very high16 Ų1636.2 Ų36.29%0.08618%0.183CC..  trans-152101.1-175.5-158.3-82.9000113.4I86 A87 Y92 C93 Q94I86-N90 WeakPolarHBondContact O-CB 3.22Å; I86-N90 PolarHBondContact O-N 3.11Å; A87-N90 CarbonylContact O-C 3.6Å; A87-N90 VanDerWaalsContact O-C 3.31Å; A87-N90 PolarHBondContact O-N 3.24Å; A87-N90 VanDerWaalsContact O-O 3.14Å; N90-Y92 PolarHBondContact O-N 2.87Å; N90-Y92 VanDerWaalsContact O-N 3.11Å; N90-Y92 PolarHBondContact OD1-N 3.28Å; N90-C93 HydrophobicContact CB-CB 4.02Å; N90-C93 WeakPolarHBondContact O-CA 3.44Å; N90-C93 WeakPolarHBondContact O-CB 3.37Å; N90-C93 PolarHBondContact O-N 3.4Å; N90-C93 PolarHBondContact OD1-N 3.33Å; N90-C93 PolarHBondContact OD1-SG 2.68Å; N90-C93 VanDerWaalsContact OD1-SG 3.36Å; N90-Q94 PolarHBondContact O-N 2.95Å
91V91.6Very high93.8Very high87 Ų8739.9 Ų39.953%0.52720%0.201SC..Hα-helixtrans-51.2-37.5179.5-1790000113.2C93 Q94 Q95V91-C93 VanDerWaalsContact C-N 3.32Å; V91-C93 PolarHBondContact O-N 3.15Å; V91-Q94 WeakPolarHBondContact O-CB 3.46Å; V91-Q94 PolarHBondContact O-N 3.17Å; V91-Q95 HydrophobicContact CG1-CG 4.32Å; V91-Q95 WeakPolarHBondContact O-CB 3.28Å; V91-Q95 VanDerWaalsContact O-CG 3.25Å; V91-Q95 WeakPolarHBondContact O-CG 3.4Å; V91-Q95 PolarHBondContact O-N 2.87Å
92Y92.5Very high94Very high146 Ų14638.9 Ų38.957%0.57320%0.197SC*.Hα-helixtrans-68.7-29.6177-58.9-75.8000113R55 N90 T96R55-Y92 VanDerWaalsContact NH1-CB 3.28Å; N90-Y92 PolarHBondContact O-N 2.87Å; N90-Y92 VanDerWaalsContact O-N 3.11Å; N90-Y92 PolarHBondContact OD1-N 3.28Å; Y92-T96 WeakPolarHBondContact O-CB 3.45Å; Y92-T96 PolarHBondContact O-N 3.42Å; Y92-T96 PolarHBondContact O-OG1 3.17Å
93C94Very high94.1Very high0 Ų038.8 Ų38.80%020%0.196CC..Hα-helixtrans-76.4-42.5173.6-61.50000111.1S51 R55 L60 I86 N90 V91 Q95 T96 L97S51-C93 PolarHBondContact O-SG 3.15Å; R55-C93 PolarHBondContact NH1-SG 3.15Å; R55-C93 VanDerWaalsContact NH1-SG 3.38Å; L60-C93 HydrophobicContact CD1-CB 3.7Å; I86-C93 HydrophobicContact CG2-CB 4.12Å; N90-C93 HydrophobicContact CB-CB 4.02Å; N90-C93 WeakPolarHBondContact O-CA 3.44Å; N90-C93 WeakPolarHBondContact O-CB 3.37Å; N90-C93 PolarHBondContact O-N 3.4Å; N90-C93 PolarHBondContact OD1-N 3.33Å; N90-C93 PolarHBondContact OD1-SG 2.68Å; N90-C93 VanDerWaalsContact OD1-SG 3.36Å; V91-C93 VanDerWaalsContact C-N 3.32Å; V91-C93 PolarHBondContact O-N 3.15Å; C93-Q95 PolarHBondContact O-N 2.99Å; C93-T96 PolarHBondContact O-N 3.08Å; C93-T96 VanDerWaalsContact O-N 3.14Å; C93-L97 PolarHBondContact O-N 3.02Å; C93-L97 VanDerWaalsContact O-N 3.07Å
94Q95.1Very high94.1Very high20 Ų2043.4 Ų43.49%0.09322%0.218CC..Hα-helixtrans-52.9-52.8169.9-174.2-159.739.400111.1A87 N90 V91 T96 L97 C98 V128 L129 S131A87-Q94 HydrophobicContact CB-CB 4.09Å; N90-Q94 PolarHBondContact O-N 2.95Å; V91-Q94 WeakPolarHBondContact O-CB 3.46Å; V91-Q94 PolarHBondContact O-N 3.17Å; Q94-T96 VanDerWaalsContact C-N 3.27Å; Q94-T96 PolarHBondContact O-N 3.22Å; Q94-L97 PolarHBondContact O-N 3.3Å; Q94-L97 VanDerWaalsContact O-N 3.16Å; Q94-C98 VanDerWaalsContact O-CB 3.28Å; Q94-C98 WeakPolarHBondContact O-CB 3.45Å; Q94-C98 PolarHBondContact O-N 3.16Å; Q94-V128 PolarHBondContact NE2-O 3.4Å; Q94-L129 HydrophobicContact CG-CD2 4.35Å; Q94-S131 PolarHBondContact NE2-O 3.26Å
95Q93.7Very high94.1Very high114 Ų11444.4 Ų44.453%0.53322%0.223SC..Hα-helixtrans-60.2-32176.8-74.5173.5-7.100113.7V91 C93V91-Q95 HydrophobicContact CG1-CG 4.32Å; V91-Q95 WeakPolarHBondContact O-CB 3.28Å; V91-Q95 VanDerWaalsContact O-CG 3.25Å; V91-Q95 WeakPolarHBondContact O-CG 3.4Å; V91-Q95 PolarHBondContact O-N 2.87Å; C93-Q95 PolarHBondContact O-N 2.99Å
96T95Very high94.4Very high52 Ų5244.1 Ų44.132%0.31922%0.221SC..Hα-helixtrans-74-31.6178.1-59.50000112.2R55 Y92 C93 Q94R55-T96 WeakPolarHBondContact CD-OG1 3.35Å; R55-T96 HydrophobicContact CG-CG2 4.27Å; Y92-T96 WeakPolarHBondContact O-CB 3.45Å; Y92-T96 PolarHBondContact O-N 3.42Å; Y92-T96 PolarHBondContact O-OG1 3.17Å; C93-T96 PolarHBondContact O-N 3.08Å; C93-T96 VanDerWaalsContact O-N 3.14Å; Q94-T96 VanDerWaalsContact C-N 3.27Å; Q94-T96 PolarHBondContact O-N 3.22Å
97L96.4Very high94.4Very high2 Ų245.1 Ų45.11%0.0123%0.227CC..Hα-helixtrans-86.4-27.3179.7-71.3166.5000112.4L60 L83 A87 C93 Q94 T99 L102 L129L60-L97 HydrophobicContact CB-CD2 4.34Å; L60-L97 HydrophobicContact CD1-CD1 4.46Å; L60-L97 HydrophobicContact CD1-CG 4.49Å; L60-L97 HydrophobicContact CD2-CD1 4.38Å; L83-L97 HydrophobicContact CB-CD1 4.22Å; L83-L97 HydrophobicContact CD2-CD1 3.99Å; L83-L97 HydrophobicContact CD2-CD2 3.84Å; A87-L97 HydrophobicContact CB-CD1 4.17Å; C93-L97 PolarHBondContact O-N 3.02Å; C93-L97 VanDerWaalsContact O-N 3.07Å; Q94-L97 PolarHBondContact O-N 3.3Å; Q94-L97 VanDerWaalsContact O-N 3.16Å; L97-T99 VanDerWaalsContact C-N 3.26Å; L97-T99 PolarHBondContact O-N 2.79Å; L97-T99 PolarHBondContact O-OG1 3.27Å; L97-L102 HydrophobicContact CB-CD2 3.84Å; L97-L102 HydrophobicContact CD2-CD2 4.05Å; L97-L102 VanDerWaalsContact O-CD2 3.28Å; L97-L102 WeakPolarHBondContact O-CD2 3.32Å; L97-L129 HydrophobicContact CB-CD2 3.8Å
98C96.1Very high94.4Very high14 Ų1453.8 Ų53.810%0.09526%0.259CS..  trans-59.876.6176.8-174.90000112.7Q94 L129 N133Q94-C98 VanDerWaalsContact O-CB 3.28Å; Q94-C98 WeakPolarHBondContact O-CB 3.45Å; Q94-C98 PolarHBondContact O-N 3.16Å; C98-L129 HydrophobicContact CB-CD2 4.38Å; C98-N133 PolarHBondContact SG-ND2 2.82Å
99T96.6Very high94.5Very high46 Ų4651.6 Ų51.628%0.28225%0.249SC..  trans-138.2141.8-17155.30000110.1K64 L97 E101 L102 F103K64-T99 PolarHBondContact NZ-OG1 3.16Å; L97-T99 VanDerWaalsContact C-N 3.26Å; L97-T99 PolarHBondContact O-N 2.79Å; L97-T99 PolarHBondContact O-OG1 3.27Å; T99-E101 VanDerWaalsContact C-N 3.33Å; T99-E101 PolarHBondContact O-N 3.19Å; T99-L102 PolarHBondContact O-N 2.73Å; T99-L102 WeakPolarHBondContact OG1-CB 3.43Å; T99-F103 WeakPolarHBondContact O-CD2 3.4Å; T99-F103 PolarHBondContact O-N 2.74Å
100S96.8Very high94.7Very high51 Ų5146 Ų4636%0.35722%0.224SC..Hα-helixtrans-50.9-51.3-178.5-163.50000111.8L102 F103 E104 T143S100-L102 VanDerWaalsContact C-N 3.26Å; S100-L102 PolarHBondContact O-N 2.85Å; S100-L102 VanDerWaalsContact O-N 3.15Å; S100-F103 CarbonylContact O-C 3.45Å; S100-F103 WeakPolarHBondContact O-CA 3.32Å; S100-F103 PolarHBondContact O-N 3.11Å; S100-E104 VanDerWaalsContact CB-OE1 3.24Å; S100-E104 WeakPolarHBondContact CB-OE1 3.24Å; S100-E104 WeakPolarHBondContact O-CG 3.44Å; S100-E104 PolarHBondContact O-N 3Å; S100-E104 PolarHBondContact OG-OE1 2.8Å; S100-T143 WeakPolarHBondContact OG-CG2 3.49Å
101E96.4Very high94.5Very high78 Ų7846.5 Ų46.536%0.36423%0.229SC..Hα-helixtrans-53.3-38.5177.7-170.7-155.7-18000113.3K64 K68 T99 E104 D105K64-E101 WeakPolarHBondContact CE-OE2 3.46Å; K64-E101 IonicContact NZ-OE2 2.66Å; K64-E101 PolarHBondContact NZ-OE2 3.5Å; K68-E101 IonicContact NZ-OE1 3.8Å; K68-E101 PolarHBondContact NZ-OE1 3.44Å; T99-E101 VanDerWaalsContact C-N 3.33Å; T99-E101 PolarHBondContact O-N 3.19Å; E101-E104 PolarHBondContact N-OE1 2.84Å; E101-E104 PolarHBondContact O-N 3Å; E101-D105 WeakPolarHBondContact O-CB 3.3Å; E101-D105 PolarHBondContact O-N 3.3Å
102L96.6Very high93.5Very high4 Ų447.3 Ų47.32%0.02123%0.231CC..Hα-helixtrans-72.5-37.5177.5-17858.1000111.5K64 L97 T99 S100 E104 D105 L106 L129K64-L102 HydrophobicContact CD-CB 4.27Å; K64-L102 HydrophobicContact CD-CD1 4.21Å; K64-L102 HydrophobicContact CG-CD1 4.21Å; L97-L102 HydrophobicContact CB-CD2 3.84Å; L97-L102 HydrophobicContact CD2-CD2 4.05Å; L97-L102 VanDerWaalsContact O-CD2 3.28Å; L97-L102 WeakPolarHBondContact O-CD2 3.32Å; T99-L102 PolarHBondContact O-N 2.73Å; T99-L102 WeakPolarHBondContact OG1-CB 3.43Å; S100-L102 VanDerWaalsContact C-N 3.26Å; S100-L102 PolarHBondContact O-N 2.85Å; S100-L102 VanDerWaalsContact O-N 3.15Å; L102-E104 VanDerWaalsContact C-N 3.33Å; L102-D105 PolarHBondContact O-N 3.3Å; L102-L106 HydrophobicContact CD1-CD1 4.18Å; L102-L106 HydrophobicContact CD1-CG 4.2Å; L102-L106 HydrophobicContact CG-CD1 3.84Å; L102-L106 HydrophobicContact CG-CG 4.37Å; L102-L106 WeakPolarHBondContact O-CB 3.38Å; L102-L106 VanDerWaalsContact O-CD1 3.29Å; L102-L106 WeakPolarHBondContact O-CD1 3.38Å; L102-L106 WeakPolarHBondContact O-CG 3.25Å; L102-L106 PolarHBondContact O-N 2.92Å; L102-L129 HydrophobicContact CD2-CD1 3.84Å; L102-L129 HydrophobicContact CG-CD1 4.36Å
103F97.4Very high92.8Very high0 Ų048 Ų480%024%0.244CC..Hα-helixtrans-66.6-34.6173.3-80.8-81.1000112.1T99 S100 T107 I126 L129 V130 L139 V140 T143T99-F103 WeakPolarHBondContact O-CD2 3.4Å; T99-F103 PolarHBondContact O-N 2.74Å; S100-F103 CarbonylContact O-C 3.45Å; S100-F103 WeakPolarHBondContact O-CA 3.32Å; S100-F103 PolarHBondContact O-N 3.11Å; F103-T107 WeakPolarHBondContact O-CB 3.41Å; F103-T107 PolarHBondContact O-N 3.35Å; F103-T107 PolarHBondContact O-OG1 3.35Å; F103-I126 HydrophobicContact CE1-CG2 4.28Å; F103-L129 HydrophobicContact CE1-CB 4.37Å; F103-L129 HydrophobicContact CE2-CB 4.36Å; F103-L129 HydrophobicContact CE2-CD1 4.29Å; F103-L129 HydrophobicContact CZ-CB 3.72Å; F103-L129 HydrophobicContact CZ-CD1 4.19Å; F103-V130 HydrophobicContact CE1-CG1 4.16Å; F103-V130 HydrophobicContact CZ-CG1 4.22Å; F103-L139 HydrophobicContact CD2-CB 3.64Å; F103-L139 HydrophobicContact CD2-CD1 4.1Å; F103-L139 HydrophobicContact CE2-CB 3.68Å; F103-L139 HydrophobicContact CE2-CD1 4Å; F103-L139 HydrophobicContact CG-CB 4.33Å; F103-L139 HydrophobicContact CZ-CB 4.39Å; F103-V140 HydrophobicContact CD1-CB 4.04Å; F103-V140 HydrophobicContact CD1-CG2 4.11Å; F103-V140 HydrophobicContact CE1-CB 3.7Å; F103-V140 HydrophobicContact CE1-CG2 3.93Å; F103-V140 HydrophobicContact CZ-CB 4.44Å; F103-T143 HydrophobicContact CB-CG2 3.79Å; F103-T143 WeakPolarHBondContact CB-OG1 3.24Å
104E95.6Very high92.4Very high98 Ų9849 Ų4946%0.45825%0.252SS..Hα-helixtrans-64.4-48.3171.7-68153.7-134.500111.4S100 E101 L102 L106 T107 W108 T143S100-E104 VanDerWaalsContact CB-OE1 3.24Å; S100-E104 WeakPolarHBondContact CB-OE1 3.24Å; S100-E104 WeakPolarHBondContact O-CG 3.44Å; S100-E104 PolarHBondContact O-N 3Å; S100-E104 PolarHBondContact OG-OE1 2.8Å; E101-E104 PolarHBondContact N-OE1 2.84Å; E101-E104 PolarHBondContact O-N 3Å; L102-E104 VanDerWaalsContact C-N 3.33Å; E104-L106 VanDerWaalsContact C-N 3.35Å; E104-L106 PolarHBondContact O-N 3.5Å; E104-T107 WeakPolarHBondContact O-CB 3.45Å; E104-T107 PolarHBondContact O-N 2.95Å; E104-T107 VanDerWaalsContact O-N 3.16Å; E104-W108 PolarHBondContact O-N 3.21Å; E104-T143 HydrophobicContact CG-CG2 4.01Å
105D94.9Very high91.9Very high21 Ų2152 Ų5211%0.11227%0.268CS..Hα-helixtrans-58.9-43.8175.1-72.1-33.4000111.9K68 E101 L102 W108 F109K68-D105 WeakPolarHBondContact CD-OD2 3.46Å; K68-D105 WeakPolarHBondContact CE-OD1 3.47Å; K68-D105 WeakPolarHBondContact CE-OD2 3.44Å; K68-D105 IonicContact NZ-OD1 3.66Å; K68-D105 PolarHBondContact NZ-OD1 3.1Å; K68-D105 IonicContact NZ-OD2 2.75Å; K68-D105 PolarHBondContact NZ-OD2 3.47Å; E101-D105 WeakPolarHBondContact O-CB 3.3Å; E101-D105 PolarHBondContact O-N 3.3Å; L102-D105 PolarHBondContact O-N 3.3Å; D105-W108 WeakPolarHBondContact O-CB 3.48Å; D105-W108 PolarHBondContact O-N 3Å; D105-F109 HydrophobicContact CB-CE2 4.45Å; D105-F109 VanDerWaalsContact O-CD2 3.27Å; D105-F109 WeakPolarHBondContact O-CD2 3.29Å; D105-F109 VanDerWaalsContact O-CG 3.32Å; D105-F109 WeakPolarHBondContact O-CG 3.35Å; D105-F109 PolarHBondContact O-N 3.43Å; D105-F109 VanDerWaalsContact O-N 3.07Å
106L96.3Very high91.6Very high0 Ų048.7 Ų48.70%025%0.253CS..Hα-helixtrans-64.9-39.5175.6-70.7162.6000111.6L80 L102 E104 W108 F109 L110 V125 I126 L129L80-L106 HydrophobicContact CD2-CD2 3.84Å; L102-L106 HydrophobicContact CD1-CD1 4.18Å; L102-L106 HydrophobicContact CD1-CG 4.2Å; L102-L106 HydrophobicContact CG-CD1 3.84Å; L102-L106 HydrophobicContact CG-CG 4.37Å; L102-L106 WeakPolarHBondContact O-CB 3.38Å; L102-L106 VanDerWaalsContact O-CD1 3.29Å; L102-L106 WeakPolarHBondContact O-CD1 3.38Å; L102-L106 WeakPolarHBondContact O-CG 3.25Å; L102-L106 PolarHBondContact O-N 2.92Å; E104-L106 VanDerWaalsContact C-N 3.35Å; E104-L106 PolarHBondContact O-N 3.5Å; L106-W108 VanDerWaalsContact C-N 3.3Å; L106-W108 PolarHBondContact O-N 3.42Å; L106-F109 PolarHBondContact O-N 3.42Å; L106-L110 WeakPolarHBondContact O-CG 3.45Å; L106-L110 PolarHBondContact O-N 3.17Å; L106-V125 HydrophobicContact CD1-CB 4.33Å; L106-V125 HydrophobicContact CD1-CG1 3.72Å; L106-V125 HydrophobicContact CD2-CB 3.93Å; L106-V125 HydrophobicContact CD2-CG1 4.02Å; L106-I126 HydrophobicContact CB-CD1 4.18Å; L106-I126 HydrophobicContact CB-CG1 4.07Å; L106-I126 HydrophobicContact CD1-CG1 3.94Å; L106-I126 HydrophobicContact CG-CG1 4.43Å; L106-L129 HydrophobicContact CD1-CD1 4.05Å
107T95Very high91.3Very high24 Ų2448.2 Ų48.215%0.14725%0.249CC..Hα-helixtrans-62.1-39.4175.5-58.50000111F103 E104 L110 C145 V148F103-T107 WeakPolarHBondContact O-CB 3.41Å; F103-T107 PolarHBondContact O-N 3.35Å; F103-T107 PolarHBondContact O-OG1 3.35Å; E104-T107 WeakPolarHBondContact O-CB 3.45Å; E104-T107 PolarHBondContact O-N 2.95Å; E104-T107 VanDerWaalsContact O-N 3.16Å; T107-L110 PolarHBondContact O-N 3.13Å; T107-C145 WeakPolarHBondContact OG1-CA 3.32Å; T107-C145 WeakPolarHBondContact OG1-CB 3.47Å; T107-V148 HydrophobicContact CG2-CB 4.4Å; T107-V148 HydrophobicContact CG2-CG2 3.69Å
108W92.9Very high91Very high185 Ų18548.7 Ų48.770%0.70125%0.252SS*.Hα-helixtrans-62.5-44.2173179.3-104.2000112.2E104 D105 L106 L110 S111E104-W108 PolarHBondContact O-N 3.21Å; D105-W108 WeakPolarHBondContact O-CB 3.48Å; D105-W108 PolarHBondContact O-N 3Å; L106-W108 VanDerWaalsContact C-N 3.3Å; L106-W108 PolarHBondContact O-N 3.42Å; W108-L110 PolarHBondContact O-N 3.11Å; W108-S111 WeakPolarHBondContact O-CB 3.41Å; W108-S111 PolarHBondContact O-N 3.47Å; W108-S111 PolarHBondContact O-OG 2.8Å
109F93.1Very high90.9Very high8 Ų849.1 Ų49.14%0.03525%0.252CS..Hα-helixtrans-67.7-14.8175.6-58.3-33.5000114.5A67 K76 L80 D105 L106 S111 S114 L118 K119 S122A67-F109 WeakPolarHBondContact O-CZ 3.3Å; K76-F109 HydrophobicContact CD-CE1 4.2Å; K76-F109 HydrophobicContact CD-CZ 4.45Å; L80-F109 HydrophobicContact CD1-CD2 3.94Å; L80-F109 HydrophobicContact CD1-CE2 4.24Å; L80-F109 HydrophobicContact CD2-CD2 4.45Å; L80-F109 HydrophobicContact CD2-CE2 4.29Å; D105-F109 HydrophobicContact CB-CE2 4.45Å; D105-F109 VanDerWaalsContact O-CD2 3.27Å; D105-F109 WeakPolarHBondContact O-CD2 3.29Å; D105-F109 VanDerWaalsContact O-CG 3.32Å; D105-F109 WeakPolarHBondContact O-CG 3.35Å; D105-F109 PolarHBondContact O-N 3.43Å; D105-F109 VanDerWaalsContact O-N 3.07Å; L106-F109 PolarHBondContact O-N 3.42Å; F109-S111 VanDerWaalsContact C-N 3.32Å; F109-S114 WeakPolarHBondContact O-CB 3.27Å; F109-S114 PolarHBondContact O-OG 3.12Å; F109-L118 HydrophobicContact CB-CG 4.27Å; F109-L118 HydrophobicContact CD1-CD2 4.23Å; F109-L118 HydrophobicContact CG-CG 4.48Å; F109-K119 WeakPolarHBondContact O-CG 3.5Å; F109-S122 WeakPolarHBondContact CB-OG 3.31Å
110L92.6Very high90.6Very high0 Ų047.6 Ų47.60%024%0.241CC..THydrogen-bonded Turntrans-85.92.6169.2-64.9-174.8000113.9L106 T107 W108 K119 V123 I126 V148 L149 L152L106-L110 WeakPolarHBondContact O-CG 3.45Å; L106-L110 PolarHBondContact O-N 3.17Å; T107-L110 PolarHBondContact O-N 3.13Å; W108-L110 PolarHBondContact O-N 3.11Å; L110-K119 HydrophobicContact CD2-CB 4.25Å; L110-K119 HydrophobicContact CD2-CG 4.45Å; L110-V123 HydrophobicContact CD2-CG2 3.69Å; L110-I126 HydrophobicContact CD1-CD1 3.6Å; L110-I126 HydrophobicContact CG-CD1 4.34Å; L110-V148 HydrophobicContact CB-CG1 3.53Å; L110-V148 HydrophobicContact CD1-CG1 4.19Å; L110-L149 HydrophobicContact CD1-CD2 3.86Å; L110-L149 HydrophobicContact CD1-CG 4.37Å; L110-L152 HydrophobicContact CB-CD1 4.24Å; L110-L152 HydrophobicContact CD1-CD1 4.22Å; L110-L152 HydrophobicContact CD2-CD1 4.01Å; L110-L152 HydrophobicContact CG-CD1 4.39Å
111S85.9Confident90.4Very high27 Ų2745.7 Ų45.719%0.18923%0.226CC..SBendtrans-64.9155.2175.5-59.70000112.7W108 F109 D113 S114 K119W108-S111 WeakPolarHBondContact O-CB 3.41Å; W108-S111 PolarHBondContact O-N 3.47Å; W108-S111 PolarHBondContact O-OG 2.8Å; F109-S111 VanDerWaalsContact C-N 3.32Å; S111-D113 PolarHBondContact O-N 2.99Å; S111-D113 VanDerWaalsContact O-N 3.13Å; S111-S114 PolarHBondContact O-N 3.42Å; S111-S114 VanDerWaalsContact O-N 3.12Å; S111-K119 WeakPolarHBondContact O-CE 3.48Å; S111-K119 PolarHBondContact O-NZ 3.04Å
112N71.6Confident90.4Very high104 Ų10442 Ų4256%0.55621%0.209SC*.THydrogen-bonded Turntrans-55.7-37.1-171.1-71.80.2000112.8S114 K119N112-S114 VanDerWaalsContact C-N 3.28Å; N112-S114 PolarHBondContact O-N 3.11Å; N112-K119 PolarHBondContact O-NZ 3.29Å
113D77.3Confident90.4Very high159 Ų15941.8 Ų41.885%0.8521%0.208SC*.THydrogen-bonded Turntrans-75.5-11.6-174-39.8-77.7000113.9S111S111-D113 PolarHBondContact O-N 2.99Å; S111-D113 VanDerWaalsContact O-N 3.13Å
114S84.3Confident90.3Very high23 Ų2342 Ų4216%0.16121%0.209CC..SBendtrans-77.1143178.9-72.50000112.9F109 S111 N112 K119F109-S114 WeakPolarHBondContact O-CB 3.27Å; F109-S114 PolarHBondContact O-OG 3.12Å; S111-S114 PolarHBondContact O-N 3.42Å; S111-S114 VanDerWaalsContact O-N 3.12Å; N112-S114 VanDerWaalsContact C-N 3.28Å; N112-S114 PolarHBondContact O-N 3.11Å; S114-K119 WeakPolarHBondContact O-CE 3.31Å; S114-K119 PolarHBondContact O-NZ 3.45Å
115N86.4Confident90.3Very high82 Ų8237.4 Ų37.444%0.43919%0.188SC..  trans-56.3146.2174.5-176.13.6000111.7N117 L118 K119N115-N117 PolarHBondContact O-N 2.85Å; N115-N117 PolarHBondContact OD1-N 2.97Å; N115-L118 HydrophobicContact CB-CB 4.41Å; N115-L118 PolarHBondContact O-N 3.47Å; N115-L118 VanDerWaalsContact O-N 3.09Å; N115-K119 PolarHBondContact O-N 3.06Å
116I87.1Confident90.5Very high44 Ų4436.4 Ų36.423%0.22618%0.182CC..Hα-helixtrans-54.2-40.9176.4-61.8174.9000111K119 R120 Q171 L175I116-K119 PolarHBondContact O-N 3.28Å; I116-R120 HydrophobicContact CG2-CG 4.25Å; I116-R120 WeakPolarHBondContact O-CB 3.2Å; I116-R120 VanDerWaalsContact O-CG 3.24Å; I116-R120 WeakPolarHBondContact O-CG 3.5Å; I116-R120 PolarHBondContact O-N 3.43Å; I116-Q171 HydrophobicContact CG2-CB 4.3Å; I116-L175 HydrophobicContact CG2-CB 4.36Å; I116-L175 HydrophobicContact CG2-CD2 4.38Å
117N87.8Confident90.5Very high43 Ų4336.9 Ų36.923%0.2319%0.185CC..Hα-helixtrans-62.2-44.7176.5-77.8-2.7000112.7E77 N115 K119 R120 M121E77-N117 HydrophobicContact CG-CB 4.25Å; E77-N117 WeakPolarHBondContact OE2-CB 3.34Å; E77-N117 PolarHBondContact OE2-ND2 2.8Å; N115-N117 PolarHBondContact O-N 2.85Å; N115-N117 PolarHBondContact OD1-N 2.97Å; N117-K119 VanDerWaalsContact C-N 3.34Å; N117-K119 PolarHBondContact O-N 3.32Å; N117-R120 PolarHBondContact O-N 3.26Å; N117-M121 WeakPolarHBondContact O-CG 3.23Å; N117-M121 PolarHBondContact O-N 2.93Å
118L90.2Very high90.5Very high12 Ų1236.2 Ų36.26%0.06318%0.181CC..Hα-helixtrans-64.1-41178.3-176.462000111.1K76 E77 L80 F109 N115 M121 S122K76-L118 HydrophobicContact CB-CD1 3.66Å; K76-L118 HydrophobicContact CD-CD1 4.5Å; K76-L118 HydrophobicContact CD-CD2 4.49Å; E77-L118 HydrophobicContact CG-CB 4.39Å; E77-L118 HydrophobicContact CG-CD1 4.4Å; L80-L118 HydrophobicContact CD1-CD1 3.72Å; F109-L118 HydrophobicContact CB-CG 4.27Å; F109-L118 HydrophobicContact CD1-CD2 4.23Å; F109-L118 HydrophobicContact CG-CG 4.48Å; N115-L118 HydrophobicContact CB-CB 4.41Å; N115-L118 PolarHBondContact O-N 3.47Å; N115-L118 VanDerWaalsContact O-N 3.09Å; L118-M121 PolarHBondContact O-N 2.87Å; L118-S122 WeakPolarHBondContact O-CB 3.27Å; L118-S122 PolarHBondContact O-N 3.32Å; L118-S122 PolarHBondContact O-OG 2.91Å
119K93.6Very high90.6Very high23 Ų2327.5 Ų27.510%0.115%0.148CC..Hα-helixtrans-58.7-48.9171.4-72.4168.1173.1148.10111.4F109 L110 S111 N112 S114 N115 I116 N117 M121 S122 V123 L175F109-K119 WeakPolarHBondContact O-CG 3.5Å; L110-K119 HydrophobicContact CD2-CB 4.25Å; L110-K119 HydrophobicContact CD2-CG 4.45Å; S111-K119 WeakPolarHBondContact O-CE 3.48Å; S111-K119 PolarHBondContact O-NZ 3.04Å; N112-K119 PolarHBondContact O-NZ 3.29Å; S114-K119 WeakPolarHBondContact O-CE 3.31Å; S114-K119 PolarHBondContact O-NZ 3.45Å; N115-K119 PolarHBondContact O-N 3.06Å; I116-K119 PolarHBondContact O-N 3.28Å; N117-K119 VanDerWaalsContact C-N 3.34Å; N117-K119 PolarHBondContact O-N 3.32Å; K119-M121 PolarHBondContact O-N 3.43Å; K119-S122 WeakPolarHBondContact O-CB 3.27Å; K119-S122 PolarHBondContact O-N 3.01Å; K119-S122 VanDerWaalsContact O-N 3.13Å; K119-V123 WeakPolarHBondContact O-CG2 3.43Å; K119-V123 PolarHBondContact O-N 2.95Å; K119-L175 HydrophobicContact CB-CD1 3.98Å; K119-L175 HydrophobicContact CB-CD2 3.97Å; K119-L175 HydrophobicContact CD-CD2 4.06Å
120R91.2Very high90.7Very high13 Ų1327.1 Ų27.15%0.04915%0.146CC..Hα-helixtrans-61.7-42.8179.5-72.1172.872.3-164.710.9112.6I116 N117 S122 V123 Y124 Q174 L175 F564I116-R120 HydrophobicContact CG2-CG 4.25Å; I116-R120 WeakPolarHBondContact O-CB 3.2Å; I116-R120 VanDerWaalsContact O-CG 3.24Å; I116-R120 WeakPolarHBondContact O-CG 3.5Å; I116-R120 PolarHBondContact O-N 3.43Å; N117-R120 PolarHBondContact O-N 3.26Å; R120-S122 VanDerWaalsContact C-N 3.3Å; R120-S122 PolarHBondContact O-N 3.5Å; R120-V123 PolarHBondContact O-N 3.19Å; R120-Y124 PolarHBondContact O-N 3.46Å; R120-Q174 VanDerWaalsContact CZ-OE1 3.26Å; R120-L175 HydrophobicContact CG-CB 3.82Å; R120-L175 HydrophobicContact CG-CD1 3.8Å; R120-L175 HydrophobicContact CG-CG 4.34Å; R120-F564 HydrophobicContact CB-CE1 4.26Å
121M92.9Very high90.8Very high11 Ų1127.8 Ų27.85%0.05415%0.151CC..Hα-helixtrans-63-38.4173.6-69.3-61.1103.100112E77 L80 Y81 N117 L118 K119 Y124 V125 F564E77-M121 HydrophobicContact CB-CG 4.24Å; E77-M121 HydrophobicContact CG-CG 4.46Å; L80-M121 HydrophobicContact CB-CB 3.89Å; L80-M121 HydrophobicContact CD1-CB 4.08Å; Y81-M121 HydrophobicContact CD2-SD 4.21Å; Y81-M121 HydrophobicContact CG-SD 4.34Å; N117-M121 WeakPolarHBondContact O-CG 3.23Å; N117-M121 PolarHBondContact O-N 2.93Å; L118-M121 PolarHBondContact O-N 2.87Å; K119-M121 PolarHBondContact O-N 3.43Å; M121-Y124 PolarHBondContact O-N 2.84Å; M121-V125 WeakPolarHBondContact O-CG2 3.41Å; M121-V125 PolarHBondContact O-N 3.44Å; M121-F564 HydrophobicContact CE-CD1 4.14Å; M121-F564 HydrophobicContact CE-CE1 3.32Å; M121-F564 HydrophobicContact CE-CZ 3.88Å
122S96Very high91.1Very high0 Ų032.2 Ų32.20%017%0.172CC..Hα-helixtrans-66.7-44.2176.2-54.30000111.7F109 L118 K119 R120 Y124 V125 I126F109-S122 WeakPolarHBondContact CB-OG 3.31Å; L118-S122 WeakPolarHBondContact O-CB 3.27Å; L118-S122 PolarHBondContact O-N 3.32Å; L118-S122 PolarHBondContact O-OG 2.91Å; K119-S122 WeakPolarHBondContact O-CB 3.27Å; K119-S122 PolarHBondContact O-N 3.01Å; K119-S122 VanDerWaalsContact O-N 3.13Å; R120-S122 VanDerWaalsContact C-N 3.3Å; R120-S122 PolarHBondContact O-N 3.5Å; S122-Y124 PolarHBondContact O-N 3.16Å; S122-V125 PolarHBondContact O-N 2.91Å; S122-I126 WeakPolarHBondContact O-CD1 3.22Å; S122-I126 VanDerWaalsContact O-CG1 3.24Å; S122-I126 WeakPolarHBondContact O-CG1 3.47Å; S122-I126 PolarHBondContact O-N 3.47Å
123V96.1Very high92.1Very high0 Ų028 Ų280%015%0.15CC..Hα-helixtrans-60.1-43.1173.9176.20000111.4L110 K119 R120 V125 I126 L127 L149 L175 V179 T182L110-V123 HydrophobicContact CD2-CG2 3.69Å; K119-V123 WeakPolarHBondContact O-CG2 3.43Å; K119-V123 PolarHBondContact O-N 2.95Å; R120-V123 PolarHBondContact O-N 3.19Å; V123-V125 PolarHBondContact O-N 3.21Å; V123-I126 PolarHBondContact O-N 3.32Å; V123-L127 WeakPolarHBondContact O-CB 3.44Å; V123-L127 PolarHBondContact O-N 2.87Å; V123-L149 HydrophobicContact CG2-CD2 4.19Å; V123-L175 HydrophobicContact CG2-CD1 3.85Å; V123-V179 HydrophobicContact CG1-CG2 4.27Å; V123-V179 HydrophobicContact CG2-CG2 3.84Å; V123-T182 WeakPolarHBondContact CG1-OG1 3.45Å
124Y95.6Very high92.9Very high5 Ų527 Ų272%0.0213%0.134CC..Hα-helixtrans-60.9-44175.1170.4-118.1000112.4Y81 A85 E88 R120 M121 S122 L127 V128 I570Y81-Y124 HydrophobicContact CD2-CD1 4.38Å; Y81-Y124 AromaticContact CD2-CE1 3.97Å; Y81-Y124 HydrophobicContact CD2-CE1 3.97Å; Y81-Y124 HydrophobicContact CE2-CE1 4.19Å; A85-Y124 VanDerWaalsContact CA-OH 3.3Å; A85-Y124 WeakPolarHBondContact CA-OH 3.46Å; A85-Y124 PolarHBondContact N-OH 2.97Å; E88-Y124 PolarHBondContact OE2-OH 2.86Å; R120-Y124 PolarHBondContact O-N 3.46Å; M121-Y124 PolarHBondContact O-N 2.84Å; S122-Y124 PolarHBondContact O-N 3.16Å; Y124-L127 PolarHBondContact O-N 3.46Å; Y124-V128 HydrophobicContact CD2-CG2 3.99Å; Y124-V128 HydrophobicContact CE2-CG2 3.57Å; Y124-V128 WeakPolarHBondContact O-CG2 3.48Å; Y124-V128 PolarHBondContact O-N 3.09Å; Y124-I570 HydrophobicContact CE2-CD1 4.49Å
125V96.5Very high93.4Very high2 Ų230 Ų301%0.01215%0.152CC..Hα-helixtrans-64.8-41.2175.5176.50000111.2L80 L106 M121 S122 V123 V128 L129L80-V125 HydrophobicContact CB-CG2 4.07Å; L80-V125 HydrophobicContact CD2-CG2 4.26Å; L80-V125 WeakPolarHBondContact O-CG2 3.42Å; L106-V125 HydrophobicContact CD1-CB 4.33Å; L106-V125 HydrophobicContact CD1-CG1 3.72Å; L106-V125 HydrophobicContact CD2-CB 3.93Å; L106-V125 HydrophobicContact CD2-CG1 4.02Å; M121-V125 WeakPolarHBondContact O-CG2 3.41Å; M121-V125 PolarHBondContact O-N 3.44Å; S122-V125 PolarHBondContact O-N 2.91Å; V123-V125 PolarHBondContact O-N 3.21Å; V125-V128 PolarHBondContact O-N 3.48Å; V125-L129 HydrophobicContact CG1-CD1 3.8Å; V125-L129 HydrophobicContact CG1-CG 4.22Å; V125-L129 WeakPolarHBondContact O-CB 3.39Å; V125-L129 VanDerWaalsContact O-CG 3.22Å; V125-L129 WeakPolarHBondContact O-CG 3.39Å; V125-L129 PolarHBondContact O-N 2.85Å
126I97.6Very high93.9Very high0 Ų026.1 Ų26.10%013%0.131CC..Hα-helixtrans-60.2-51.9175.7-64.8157.5000110.3F103 L106 L110 S122 V123 V128 L129 V130 V140 C145 L149 T182F103-I126 HydrophobicContact CE1-CG2 4.28Å; L106-I126 HydrophobicContact CB-CD1 4.18Å; L106-I126 HydrophobicContact CB-CG1 4.07Å; L106-I126 HydrophobicContact CD1-CG1 3.94Å; L106-I126 HydrophobicContact CG-CG1 4.43Å; L110-I126 HydrophobicContact CD1-CD1 3.6Å; L110-I126 HydrophobicContact CG-CD1 4.34Å; S122-I126 WeakPolarHBondContact O-CD1 3.22Å; S122-I126 VanDerWaalsContact O-CG1 3.24Å; S122-I126 WeakPolarHBondContact O-CG1 3.47Å; S122-I126 PolarHBondContact O-N 3.47Å; V123-I126 PolarHBondContact O-N 3.32Å; I126-V128 PolarHBondContact O-N 3.05Å; I126-L129 PolarHBondContact O-N 3.21Å; I126-V130 HydrophobicContact CG2-CG1 4.38Å; I126-V130 WeakPolarHBondContact O-CG2 3.37Å; I126-V130 PolarHBondContact O-N 2.93Å; I126-V140 HydrophobicContact CG2-CG2 3.82Å; I126-C145 WeakPolarHBondContact CD1-SG 3.37Å; I126-L149 HydrophobicContact CG2-CD1 4.21Å; I126-T182 HydrophobicContact CB-CG2 4.25Å; I126-T182 HydrophobicContact CG2-CG2 3.68Å
127L96.1Very high94.3Very high10 Ų1024 Ų245%0.05212%0.12CC..Hα-helixtrans-48.9-55.2176.1175.265000110.9V123 Y124 L129 V130 S131 T182 V185V123-L127 WeakPolarHBondContact O-CB 3.44Å; V123-L127 PolarHBondContact O-N 2.87Å; Y124-L127 PolarHBondContact O-N 3.46Å; L127-L129 VanDerWaalsContact C-N 3.3Å; L127-L129 PolarHBondContact O-N 3.1Å; L127-V130 WeakPolarHBondContact O-CG2 3.49Å; L127-V130 PolarHBondContact O-N 3.39Å; L127-V130 VanDerWaalsContact O-N 3.16Å; L127-S131 PolarHBondContact O-N 3.46Å; L127-S131 PolarHBondContact O-OG 2.84Å; L127-T182 HydrophobicContact CB-CG2 4.33Å; L127-V185 HydrophobicContact CD1-CB 3.98Å; L127-V185 HydrophobicContact CD1-CG1 4.25Å; L127-V185 HydrophobicContact CD1-CG2 3.72Å
128V95.3Very high94.7Very high10 Ų1024 Ų246%0.06112%0.121CC..Hα-helixtrans-61.7-35.7179.31710000112.5A87 E88 Q94 Y124 V125 I126A87-V128 HydrophobicContact CB-CG1 3.6Å; E88-V128 HydrophobicContact CB-CG1 3.87Å; E88-V128 HydrophobicContact CB-CG2 4Å; E88-V128 HydrophobicContact CG-CG2 4.13Å; Q94-V128 PolarHBondContact NE2-O 3.4Å; Y124-V128 HydrophobicContact CD2-CG2 3.99Å; Y124-V128 HydrophobicContact CE2-CG2 3.57Å; Y124-V128 WeakPolarHBondContact O-CG2 3.48Å; Y124-V128 PolarHBondContact O-N 3.09Å; V125-V128 PolarHBondContact O-N 3.48Å; I126-V128 PolarHBondContact O-N 3.05Å
129L96.3Very high95.1Very high1 Ų124.5 Ų24.51%0.00512%0.124CC..Hα-helixtrans-73.7-26.3177.7-70.9175000113.3Q94 L97 C98 L102 F103 L106 V125 I126 L127 N133Q94-L129 HydrophobicContact CG-CD2 4.35Å; L97-L129 HydrophobicContact CB-CD2 3.8Å; C98-L129 HydrophobicContact CB-CD2 4.38Å; L102-L129 HydrophobicContact CD2-CD1 3.84Å; L102-L129 HydrophobicContact CG-CD1 4.36Å; F103-L129 HydrophobicContact CE1-CB 4.37Å; F103-L129 HydrophobicContact CE2-CB 4.36Å; F103-L129 HydrophobicContact CE2-CD1 4.29Å; F103-L129 HydrophobicContact CZ-CB 3.72Å; F103-L129 HydrophobicContact CZ-CD1 4.19Å; L106-L129 HydrophobicContact CD1-CD1 4.05Å; V125-L129 HydrophobicContact CG1-CD1 3.8Å; V125-L129 HydrophobicContact CG1-CG 4.22Å; V125-L129 WeakPolarHBondContact O-CB 3.39Å; V125-L129 VanDerWaalsContact O-CG 3.22Å; V125-L129 WeakPolarHBondContact O-CG 3.39Å; V125-L129 PolarHBondContact O-N 2.85Å; I126-L129 PolarHBondContact O-N 3.21Å; L127-L129 VanDerWaalsContact C-N 3.3Å; L127-L129 PolarHBondContact O-N 3.1Å; L129-N133 WeakPolarHBondContact O-CB 3.14Å; L129-N133 PolarHBondContact O-ND2 3.19Å
130V95.4Very high95.2Very high0 Ų023.4 Ų23.40%012%0.119CC..Hα-helixtrans-93-28.1177.9-57.70000113.6F103 I126 L127 N132 N133 Q137 V140 V185F103-V130 HydrophobicContact CE1-CG1 4.16Å; F103-V130 HydrophobicContact CZ-CG1 4.22Å; I126-V130 HydrophobicContact CG2-CG1 4.38Å; I126-V130 WeakPolarHBondContact O-CG2 3.37Å; I126-V130 PolarHBondContact O-N 2.93Å; L127-V130 WeakPolarHBondContact O-CG2 3.49Å; L127-V130 PolarHBondContact O-N 3.39Å; L127-V130 VanDerWaalsContact O-N 3.16Å; V130-N132 PolarHBondContact O-N 2.77Å; V130-N133 PolarHBondContact O-N 3.05Å; V130-Q137 HydrophobicContact CB-CG 4.28Å; V130-V140 HydrophobicContact CG1-CB 3.95Å; V130-V140 HydrophobicContact CG1-CG1 3.95Å; V130-V140 HydrophobicContact CG1-CG2 4.31Å; V130-V185 HydrophobicContact CB-CG1 4.44Å; V130-V185 HydrophobicContact CG2-CB 4.2Å; V130-V185 HydrophobicContact CG2-CG1 3.61Å
131S93.3Very high95.5Very high15 Ų1525.4 Ų25.411%0.10513%0.127CC..THydrogen-bonded Turntrans-55.5123.5-179.7-75.60000113Q94 L127 N133 V185Q94-S131 PolarHBondContact NE2-O 3.26Å; L127-S131 PolarHBondContact O-N 3.46Å; L127-S131 PolarHBondContact O-OG 2.84Å; S131-N133 PolarHBondContact O-N 2.79Å; S131-N133 VanDerWaalsContact O-N 3.11Å; S131-V185 VanDerWaalsContact CA-CG1 3.41Å; S131-V185 VanDerWaalsContact OG-CG1 3.3Å; S131-V185 WeakPolarHBondContact OG-CG1 3.34Å
132N92.1Very high95.6Very high119 Ų11931 Ų3164%0.63615%0.153SC*.THydrogen-bonded Turntrans57.315.6-177.1-65.9-96.1000114.2V130 N189V130-N132 PolarHBondContact O-N 2.77Å; N132-N189 WeakPolarHBondContact CA-O 3.36Å; N132-N189 VanDerWaalsContact CG-OD1 3.31Å; N132-N189 PolarHBondContact N-O 3.2Å; N132-N189 PolarHBondContact N-OD1 2.94Å; N132-N189 PolarHBondContact ND2-OD1 3.46Å; N132-N189 PolarHBondContact OD1-OD1 3.24Å
133N92.5Very high95.6Very high15 Ų1532.3 Ų32.38%0.0816%0.161CC..  trans-128.996.6-167.3179.517.4000112.8C98 L129 V130 S131 T135 G136 Q137C98-N133 PolarHBondContact SG-ND2 2.82Å; L129-N133 WeakPolarHBondContact O-CB 3.14Å; L129-N133 PolarHBondContact O-ND2 3.19Å; V130-N133 PolarHBondContact O-N 3.05Å; S131-N133 PolarHBondContact O-N 2.79Å; S131-N133 VanDerWaalsContact O-N 3.11Å; N133-T135 VanDerWaalsContact C-N 3.27Å; N133-T135 PolarHBondContact O-N 3.48Å; N133-T135 PolarHBondContact OD1-N 3.3Å; N133-G136 PolarHBondContact ND2-N 2.87Å; N133-G136 WeakPolarHBondContact O-CA 3.4Å; N133-G136 PolarHBondContact O-N 3.21Å; N133-G136 PolarHBondContact OD1-N 3.44Å; N133-Q137 PolarHBondContact O-N 3.1Å
134R94Very high95.5Very high138 Ų13833.4 Ų33.452%0.52117%0.172SC..Hα-helixtrans-54-40.1176.4-68.9-169.4174.6-74.2-0.9113.2G136 Q137 T138 P190 Q191R134-G136 VanDerWaalsContact C-N 3.31Å; R134-G136 PolarHBondContact O-N 2.84Å; R134-Q137 PolarHBondContact O-N 3.44Å; R134-T138 PolarHBondContact O-N 3.03Å; R134-T138 PolarHBondContact O-OG1 2.82Å; R134-P190 HydrophobicContact CG-CG 3.52Å; R134-Q191 PolarHBondContact NH1-O 2.81Å; R134-Q191 PolarHBondContact NH2-O 3.34Å
135T95.1Very high95.6Very high87 Ų8733.1 Ų33.153%0.53417%0.171SC..Hα-helixtrans-64.4-37.9178.6-49.70000111.5N133 T138 L139N133-T135 VanDerWaalsContact C-N 3.27Å; N133-T135 PolarHBondContact O-N 3.48Å; N133-T135 PolarHBondContact OD1-N 3.3Å; T135-T138 PolarHBondContact O-N 3.45Å; T135-L139 HydrophobicContact CG2-CD1 4.31Å; T135-L139 WeakPolarHBondContact O-CB 3.49Å; T135-L139 WeakPolarHBondContact O-CG 3.41Å; T135-L139 PolarHBondContact O-N 3.11Å
136G96.8Very high95.5Very high0 Ų033 Ų330%017%0.171CC..Hα-helixtrans-64.9-45.4173.300000111.8N133 R134 T138 L139 V140N133-G136 PolarHBondContact ND2-N 2.87Å; N133-G136 WeakPolarHBondContact O-CA 3.4Å; N133-G136 PolarHBondContact O-N 3.21Å; N133-G136 PolarHBondContact OD1-N 3.44Å; R134-G136 VanDerWaalsContact C-N 3.31Å; R134-G136 PolarHBondContact O-N 2.84Å; G136-T138 VanDerWaalsContact C-N 3.27Å; G136-T138 PolarHBondContact O-N 2.92Å; G136-L139 PolarHBondContact O-N 2.98Å; G136-V140 WeakPolarHBondContact O-CB 3.37Å; G136-V140 PolarHBondContact O-N 3.34Å
137Q96Very high95.5Very high0 Ų036.6 Ų36.60%019%0.192CC..Hα-helixtrans-62.8-29.4175.8-65179.3-35.900113.7V130 N133 R134 V140 V185 C186 N189 P190 N192 N195V130-Q137 HydrophobicContact CB-CG 4.28Å; N133-Q137 PolarHBondContact O-N 3.1Å; R134-Q137 PolarHBondContact O-N 3.44Å; Q137-V140 WeakPolarHBondContact O-CG1 3.33Å; Q137-V185 PolarHBondContact NE2-O 3.15Å; Q137-C186 PolarHBondContact NE2-O 3.35Å; Q137-N189 VanDerWaalsContact NE2-C 3.33Å; Q137-N189 PolarHBondContact NE2-O 2.81Å; Q137-P190 PolarHBondContact NE2-O 2.82Å; Q137-P190 PolarHBondContact OE1-O 2.88Å; Q137-N192 WeakPolarHBondContact CB-ND2 3.48Å; Q137-N192 PolarHBondContact OE1-ND2 2.88Å; Q137-N195 PolarHBondContact O-ND2 3.08Å
138T96.4Very high95.5Very high42 Ų4237.1 Ų37.126%0.25820%0.196SC..Hα-helixtrans-73.3-51.4171.7-60.50000110.6R134 T135 G136 V140 R141 E142R134-T138 PolarHBondContact O-N 3.03Å; R134-T138 PolarHBondContact O-OG1 2.82Å; T135-T138 PolarHBondContact O-N 3.45Å; G136-T138 VanDerWaalsContact C-N 3.27Å; G136-T138 PolarHBondContact O-N 2.92Å; T138-V140 PolarHBondContact O-N 2.92Å; T138-R141 WeakPolarHBondContact O-CB 3.43Å; T138-R141 PolarHBondContact O-N 2.99Å; T138-R141 VanDerWaalsContact O-N 3.08Å; T138-E142 VanDerWaalsContact CG2-CD 3.48Å; T138-E142 HydrophobicContact CG2-CG 4.16Å; T138-E142 WeakPolarHBondContact CG2-OE1 3.46Å; T138-E142 WeakPolarHBondContact O-CG 3.14Å; T138-E142 PolarHBondContact O-N 3.45Å
139L97.5Very high95.5Very high23 Ų2336.7 Ų36.712%0.1219%0.193CC..Hα-helixtrans-62.8-38.1-178.6-72.4173.9000113.5F103 T135 G136 R141 E142 T143F103-L139 HydrophobicContact CD2-CB 3.64Å; F103-L139 HydrophobicContact CD2-CD1 4.1Å; F103-L139 HydrophobicContact CE2-CB 3.68Å; F103-L139 HydrophobicContact CE2-CD1 4Å; F103-L139 HydrophobicContact CG-CB 4.33Å; F103-L139 HydrophobicContact CZ-CB 4.39Å; T135-L139 HydrophobicContact CG2-CD1 4.31Å; T135-L139 WeakPolarHBondContact O-CB 3.49Å; T135-L139 WeakPolarHBondContact O-CG 3.41Å; T135-L139 PolarHBondContact O-N 3.11Å; G136-L139 PolarHBondContact O-N 2.98Å; L139-R141 PolarHBondContact O-N 3.19Å; L139-E142 PolarHBondContact O-N 3.5Å; L139-T143 WeakPolarHBondContact O-CB 3.35Å; L139-T143 WeakPolarHBondContact O-CG2 3.31Å; L139-T143 PolarHBondContact O-N 3.3Å; L139-T143 PolarHBondContact O-OG1 3.33Å
140V97Very high95.5Very high0 Ų036.9 Ų36.90%020%0.195CC..Hα-helixtrans-63.2-24.8177.278.40000112.1F103 I126 V130 G136 Q137 T138 C145 I146 C186F103-V140 HydrophobicContact CD1-CB 4.04Å; F103-V140 HydrophobicContact CD1-CG2 4.11Å; F103-V140 HydrophobicContact CE1-CB 3.7Å; F103-V140 HydrophobicContact CE1-CG2 3.93Å; F103-V140 HydrophobicContact CZ-CB 4.44Å; I126-V140 HydrophobicContact CG2-CG2 3.82Å; V130-V140 HydrophobicContact CG1-CB 3.95Å; V130-V140 HydrophobicContact CG1-CG1 3.95Å; V130-V140 HydrophobicContact CG1-CG2 4.31Å; G136-V140 WeakPolarHBondContact O-CB 3.37Å; G136-V140 PolarHBondContact O-N 3.34Å; Q137-V140 WeakPolarHBondContact O-CG1 3.33Å; T138-V140 PolarHBondContact O-N 2.92Å; V140-C145 HydrophobicContact CG2-CB 3.71Å; V140-C145 WeakPolarHBondContact O-CB 3.45Å; V140-C145 PolarHBondContact O-N 2.86Å; V140-C145 VanDerWaalsContact O-N 3.16Å; V140-I146 PolarHBondContact O-N 3.2Å; V140-C186 HydrophobicContact CG1-CB 4.49Å
141R96Very high95.5Very high55 Ų5541.6 Ų41.621%0.20821%0.212CC..Hα-helixtrans-84.1-51.2172.3-177.8-172.762.8-132.716.4111.7T138 L139 T143 G144 I146 E194 N195T138-R141 WeakPolarHBondContact O-CB 3.43Å; T138-R141 PolarHBondContact O-N 2.99Å; T138-R141 VanDerWaalsContact O-N 3.08Å; L139-R141 PolarHBondContact O-N 3.19Å; R141-T143 VanDerWaalsContact C-N 3.3Å; R141-T143 PolarHBondContact O-N 3.21Å; R141-G144 PolarHBondContact O-N 3.17Å; R141-I146 HydrophobicContact CB-CG2 4.27Å; R141-I146 HydrophobicContact CG-CG2 4.39Å; R141-E194 IonicContact CZ-OE1 3.61Å; R141-E194 IonicContact CZ-OE2 3.69Å; R141-E194 VanDerWaalsContact NH1-CB 3.25Å; R141-E194 IonicContact NH1-OE2 2.87Å; R141-E194 PolarHBondContact NH1-OE2 3.4Å; R141-E194 IonicContact NH2-OE1 2.39Å; R141-E194 PolarHBondContact NH2-OE1 2.88Å; R141-E194 VanDerWaalsContact NH2-OE1 3.16Å; R141-E194 IonicContact NH2-OE2 2.81Å; R141-E194 PolarHBondContact NH2-OE2 3.25Å; R141-N195 WeakPolarHBondContact CD-OD1 3.4Å; R141-N195 PolarHBondContact NH1-OD1 3.44Å
142E96.2Very high95.5Very high130 Ų13041.1 Ų41.161%0.60721%0.209SC*.Hα-helixtrans-61.7-35.8-175.9-70.6177.3160.700113T138 L139 G144T138-E142 VanDerWaalsContact CG2-CD 3.48Å; T138-E142 HydrophobicContact CG2-CG 4.16Å; T138-E142 WeakPolarHBondContact CG2-OE1 3.46Å; T138-E142 WeakPolarHBondContact O-CG 3.14Å; T138-E142 PolarHBondContact O-N 3.45Å; L139-E142 PolarHBondContact O-N 3.5Å; E142-G144 VanDerWaalsContact C-N 3.25Å; E142-G144 PolarHBondContact O-N 3.46Å
143T95.9Very high95.5Very high26 Ų2635.5 Ų35.516%0.1618%0.179CC..THydrogen-bonded Turntrans-79-2.4174.357.70000114.2S100 F103 E104 L139 R141 C145S100-T143 WeakPolarHBondContact OG-CG2 3.49Å; F103-T143 HydrophobicContact CB-CG2 3.79Å; F103-T143 WeakPolarHBondContact CB-OG1 3.24Å; E104-T143 HydrophobicContact CG-CG2 4.01Å; L139-T143 WeakPolarHBondContact O-CB 3.35Å; L139-T143 WeakPolarHBondContact O-CG2 3.31Å; L139-T143 PolarHBondContact O-N 3.3Å; L139-T143 PolarHBondContact O-OG1 3.33Å; R141-T143 VanDerWaalsContact C-N 3.3Å; R141-T143 PolarHBondContact O-N 3.21Å; T143-C145 PolarHBondContact O-N 3.36Å
144G94.6Very high95.5Very high23 Ų2340.2 Ų40.224%0.23720%0.195CC..SBendtrans71.74.3-175.900000115R141 E142 I146 T147 V148R141-G144 PolarHBondContact O-N 3.17Å; E142-G144 VanDerWaalsContact C-N 3.25Å; E142-G144 PolarHBondContact O-N 3.46Å; G144-I146 VanDerWaalsContact C-N 3.27Å; G144-I146 PolarHBondContact O-N 2.66Å; G144-T147 WeakPolarHBondContact O-CA 3.16Å; G144-T147 WeakPolarHBondContact O-CB 3.22Å; G144-T147 PolarHBondContact O-N 3.21Å; G144-T147 PolarHBondContact O-OG1 3.16Å; G144-V148 PolarHBondContact O-N 3.16Å
145C96.1Very high95.2Very high0 Ų037.8 Ų37.80%020%0.196CC..Hα-helixtrans-56.1-40.4179.6-174.20000112.4T107 I126 V140 T143 T147 V148 L149T107-C145 WeakPolarHBondContact OG1-CA 3.32Å; T107-C145 WeakPolarHBondContact OG1-CB 3.47Å; I126-C145 WeakPolarHBondContact CD1-SG 3.37Å; V140-C145 HydrophobicContact CG2-CB 3.71Å; V140-C145 WeakPolarHBondContact O-CB 3.45Å; V140-C145 PolarHBondContact O-N 2.86Å; V140-C145 VanDerWaalsContact O-N 3.16Å; T143-C145 PolarHBondContact O-N 3.36Å; C145-T147 PolarHBondContact O-N 3.42Å; C145-V148 PolarHBondContact O-N 3.04Å; C145-L149 PolarHBondContact O-N 3.19Å
146I96.3Very high94.2Very high0 Ų035 Ų350%018%0.178CC..Hα-helixtrans-58.4-32.7174.6-162.3170.7000112.5V140 R141 G144 V148 L149 S150 L183 C186 N195 F198V140-I146 PolarHBondContact O-N 3.2Å; R141-I146 HydrophobicContact CB-CG2 4.27Å; R141-I146 HydrophobicContact CG-CG2 4.39Å; G144-I146 VanDerWaalsContact C-N 3.27Å; G144-I146 PolarHBondContact O-N 2.66Å; I146-V148 VanDerWaalsContact C-N 3.35Å; I146-L149 PolarHBondContact O-N 3.37Å; I146-S150 WeakPolarHBondContact O-CB 3.33Å; I146-S150 PolarHBondContact O-N 3.09Å; I146-S150 PolarHBondContact O-OG 3.5Å; I146-L183 HydrophobicContact CG1-CD2 4.07Å; I146-C186 HydrophobicContact CD1-CB 4.14Å; I146-N195 HydrophobicContact CD1-CB 4.28Å; I146-F198 HydrophobicContact CB-CE1 4.38Å; I146-F198 HydrophobicContact CD1-CD1 4Å; I146-F198 HydrophobicContact CG1-CD1 4.01Å; I146-F198 HydrophobicContact CG1-CE1 4.09Å; I146-F198 HydrophobicContact CG2-CD1 3.99Å; I146-F198 HydrophobicContact CG2-CE1 3.73Å; I146-F198 HydrophobicContact CG2-CG 4.5Å; I146-F198 HydrophobicContact CG2-CZ 4.02Å
147T96Very high93.3Very high74 Ų7436 Ų3645%0.45418%0.184SC..Hα-helixtrans-66.2-36.9174.2-45.40000111.7G144 C145 S150 R151 F198G144-T147 WeakPolarHBondContact O-CA 3.16Å; G144-T147 WeakPolarHBondContact O-CB 3.22Å; G144-T147 PolarHBondContact O-N 3.21Å; G144-T147 PolarHBondContact O-OG1 3.16Å; C145-T147 PolarHBondContact O-N 3.42Å; T147-S150 PolarHBondContact O-N 3.27Å; T147-R151 PolarHBondContact O-N 3.03Å; T147-F198 HydrophobicContact CG2-CZ 4.32Å; T147-F198 WeakPolarHBondContact OG1-CZ 3.47Å
148V95.8Very high92Very high22 Ų2240.7 Ų40.713%0.13322%0.216CC..Hα-helixtrans-74.8-37.3177.1-179.10000111.2T107 L110 G144 C145 I146 R151 L152T107-V148 HydrophobicContact CG2-CB 4.4Å; T107-V148 HydrophobicContact CG2-CG2 3.69Å; L110-V148 HydrophobicContact CB-CG1 3.53Å; L110-V148 HydrophobicContact CD1-CG1 4.19Å; G144-V148 PolarHBondContact O-N 3.16Å; C145-V148 PolarHBondContact O-N 3.04Å; I146-V148 VanDerWaalsContact C-N 3.35Å; V148-R151 WeakPolarHBondContact O-CB 3.44Å; V148-R151 PolarHBondContact O-N 3.2Å; V148-L152 HydrophobicContact CG1-CD1 4.49Å; V148-L152 WeakPolarHBondContact O-CG 3.33Å; V148-L152 PolarHBondContact O-N 2.85Å
149L96.4Very high90.3Very high0 Ų043.3 Ų43.30%022%0.224CC..Hα-helixtrans-59.6-46168.2-66.3174.8000111.3L110 V123 I126 C145 I146 R151 L152 F153 V179 T182 L183L110-L149 HydrophobicContact CD1-CD2 3.86Å; L110-L149 HydrophobicContact CD1-CG 4.37Å; V123-L149 HydrophobicContact CG2-CD2 4.19Å; I126-L149 HydrophobicContact CG2-CD1 4.21Å; C145-L149 PolarHBondContact O-N 3.19Å; I146-L149 PolarHBondContact O-N 3.37Å; L149-R151 VanDerWaalsContact C-N 3.27Å; L149-R151 PolarHBondContact O-N 3.01Å; L149-L152 PolarHBondContact O-N 3.42Å; L149-L152 VanDerWaalsContact O-N 3.13Å; L149-F153 PolarHBondContact O-N 3.48Å; L149-V179 HydrophobicContact CB-CG1 4.26Å; L149-V179 HydrophobicContact CD2-CG1 4.29Å; L149-V179 HydrophobicContact CD2-CG2 4.1Å; L149-V179 VanDerWaalsContact O-CG1 3.32Å; L149-V179 WeakPolarHBondContact O-CG1 3.47Å; L149-T182 HydrophobicContact CD1-CG2 3.65Å; L149-T182 HydrophobicContact CD2-CG2 4.42Å; L149-L183 HydrophobicContact CB-CD2 3.77Å; L149-L183 HydrophobicContact CB-CG 4.17Å; L149-L183 HydrophobicContact CD1-CD2 4.41Å
150S96.2Very high88.2Confident5 Ų546.8 Ų46.84%0.03525%0.25CC..Hα-helixtrans-62.2-29.7174.6-67.10000113.7I146 T147 R154I146-S150 WeakPolarHBondContact O-CB 3.33Å; I146-S150 PolarHBondContact O-N 3.09Å; I146-S150 PolarHBondContact O-OG 3.5Å; T147-S150 PolarHBondContact O-N 3.27Å; S150-R154 WeakPolarHBondContact O-CG 3.14Å
151R94.6Very high86.2Confident99 Ų9955.6 Ų55.637%0.37429%0.291SS..Hα-helixtrans-68.3-50.8168.9-177.9178.367.9-173.2-0.6110.8T147 V148 L149 F153 R154 T155T147-R151 PolarHBondContact O-N 3.03Å; V148-R151 WeakPolarHBondContact O-CB 3.44Å; V148-R151 PolarHBondContact O-N 3.2Å; L149-R151 VanDerWaalsContact C-N 3.27Å; L149-R151 PolarHBondContact O-N 3.01Å; R151-F153 VanDerWaalsContact C-N 3.32Å; R151-F153 PolarHBondContact O-N 3.29Å; R151-R154 WeakPolarHBondContact O-CA 3.28Å; R151-R154 WeakPolarHBondContact O-CB 3.44Å; R151-R154 PolarHBondContact O-N 3.47Å; R151-T155 HydrophobicContact CG-CG2 4.42Å; R151-T155 PolarHBondContact O-N 3.12Å; R151-T155 VanDerWaalsContact O-N 3.17Å; R151-T155 PolarHBondContact O-OG1 2.92Å
152L93.2Very high85Confident5 Ų553.4 Ų53.43%0.02628%0.283CS..Hα-helixtrans-60.4-39.7-178.9-69.3170.6000112.3L110 V148 L149 R154 T155 V156 V179L110-L152 HydrophobicContact CB-CD1 4.24Å; L110-L152 HydrophobicContact CD1-CD1 4.22Å; L110-L152 HydrophobicContact CD2-CD1 4.01Å; L110-L152 HydrophobicContact CG-CD1 4.39Å; V148-L152 HydrophobicContact CG1-CD1 4.49Å; V148-L152 WeakPolarHBondContact O-CG 3.33Å; V148-L152 PolarHBondContact O-N 2.85Å; L149-L152 PolarHBondContact O-N 3.42Å; L149-L152 VanDerWaalsContact O-N 3.13Å; L152-R154 PolarHBondContact O-N 3.49Å; L152-T155 PolarHBondContact O-N 3.36Å; L152-V156 HydrophobicContact CB-CG2 3.86Å; L152-V156 HydrophobicContact CD2-CG2 3.62Å; L152-V156 HydrophobicContact CG-CG2 4.35Å; L152-V156 WeakPolarHBondContact O-CB 3.27Å; L152-V156 VanDerWaalsContact O-CG2 3.22Å; L152-V156 WeakPolarHBondContact O-CG2 3.43Å; L152-V156 PolarHBondContact O-N 3.26Å; L152-V179 HydrophobicContact CB-CG1 4.26Å; L152-V179 HydrophobicContact CB-CG2 4.07Å; L152-V179 HydrophobicContact CD1-CG2 4.18Å
153F93.8Very high84Confident1 Ų151.2 Ų51.20%0.00428%0.275CS..Hα-helixtrans-53.8-35172.2178.6-92.2000112.9L149 R151 W176 V179 C180 L183 L202 H205 A206 F225L149-F153 PolarHBondContact O-N 3.48Å; R151-F153 VanDerWaalsContact C-N 3.32Å; R151-F153 PolarHBondContact O-N 3.29Å; F153-W176 HydrophobicContact CE2-CZ2 4.34Å; F153-W176 PolarHBondContact O-NE1 3.15Å; F153-V179 HydrophobicContact CB-CG1 4.19Å; F153-C180 VanDerWaalsContact CD2-SG 3.58Å; F153-L183 HydrophobicContact CB-CD1 3.94Å; F153-L183 HydrophobicContact CD2-CD1 4.08Å; F153-L183 HydrophobicContact CG-CD1 4.2Å; F153-L202 HydrophobicContact CB-CD1 4.35Å; F153-L202 HydrophobicContact CD1-CB 4.2Å; F153-L202 HydrophobicContact CD1-CD1 3.85Å; F153-L202 HydrophobicContact CD1-CD2 3.92Å; F153-L202 HydrophobicContact CD1-CG 4.22Å; F153-L202 HydrophobicContact CE1-CB 3.98Å; F153-L202 HydrophobicContact CE1-CD1 4.3Å; F153-L202 HydrophobicContact CE1-CD2 4.49Å; F153-L202 HydrophobicContact CG-CD1 4.03Å; F153-H205 AromaticContact CE1-CD2 3.92Å; F153-A206 HydrophobicContact CZ-CB 4.25Å; F153-F225 HydrophobicContact CE2-CD1 4.38Å; F153-F225 HydrophobicContact CZ-CD1 4.24Å; F153-F225 HydrophobicContact CZ-CE1 4.44Å
154R92.1Very high83.1Confident115 Ų11552.3 Ų52.343%0.43428%0.28SS..Hα-helixtrans-88.8-14.9-178.8-66.6172.7176.7160.80.4114.9S150 R151 L152 S201 L202S150-R154 WeakPolarHBondContact O-CG 3.14Å; R151-R154 WeakPolarHBondContact O-CA 3.28Å; R151-R154 WeakPolarHBondContact O-CB 3.44Å; R151-R154 PolarHBondContact O-N 3.47Å; L152-R154 PolarHBondContact O-N 3.49Å; R154-S201 PolarHBondContact NH2-O 3.29Å; R154-L202 HydrophobicContact CG-CD2 4.1Å
155T86.6Confident82.2Confident87 Ų8756 Ų5653%0.53430%0.303SS..Hα-helixtrans-132.4-8.1-166.868.70000116.4R151 L152R151-T155 HydrophobicContact CG-CG2 4.42Å; R151-T155 PolarHBondContact O-N 3.12Å; R151-T155 VanDerWaalsContact O-N 3.17Å; R151-T155 PolarHBondContact O-OG1 2.92Å; L152-T155 PolarHBondContact O-N 3.36Å
156V74.5Confident81.6Confident27 Ų2759.2 Ų59.216%0.16432%0.319CS..SBendtrans-79.9-21.4-175.5171.40000113.5L152 S172 L175 W176L152-V156 HydrophobicContact CB-CG2 3.86Å; L152-V156 HydrophobicContact CD2-CG2 3.62Å; L152-V156 HydrophobicContact CG-CG2 4.35Å; L152-V156 WeakPolarHBondContact O-CB 3.27Å; L152-V156 VanDerWaalsContact O-CG2 3.22Å; L152-V156 WeakPolarHBondContact O-CG2 3.43Å; L152-V156 PolarHBondContact O-N 3.26Å; V156-S172 WeakPolarHBondContact CG1-O 3.36Å; V156-L175 HydrophobicContact CG1-CB 4.29Å; V156-L175 HydrophobicContact CG1-CD2 4.21Å; V156-L175 HydrophobicContact CG1-CG 4.28Å; V156-L175 HydrophobicContact CG2-CD2 4.18Å; V156-W176 HydrophobicContact CB-CB 4.15Å; V156-W176 HydrophobicContact CG1-CB 3.84Å
157I78.1Confident81Confident22 Ų2266.2 Ų66.211%0.11335%0.35CS..SBendtrans-125.3138.4176.2-45-177.8000109.4L162 Y173 W176 W209 I218I157-L162 HydrophobicContact CD1-CD1 4.01Å; I157-L162 HydrophobicContact CG2-CD1 3.69Å; I157-Y173 HydrophobicContact CD1-CD2 4.11Å; I157-W176 HydrophobicContact CD1-CB 3.74Å; I157-W176 HydrophobicContact CD1-CD2 3.54Å; I157-W176 HydrophobicContact CD1-CE3 3.7Å; I157-W176 HydrophobicContact CD1-CG 3.57Å; I157-W176 HydrophobicContact CD1-CZ3 4.47Å; I157-W176 HydrophobicContact CG1-CB 3.82Å; I157-W176 HydrophobicContact CG1-CD2 4.28Å; I157-W176 HydrophobicContact CG1-CG 3.81Å; I157-W209 HydrophobicContact CB-CH2 3.97Å; I157-W209 HydrophobicContact CB-CZ2 3.9Å; I157-W209 HydrophobicContact CG2-CH2 3.66Å; I157-W209 HydrophobicContact CG2-CZ2 4.13Å; I157-I218 HydrophobicContact CD1-CD1 4.17Å
158S68.2Low80.3Confident98 Ų9867.5 Ų67.569%0.68535%0.354SS*.  trans-79.2149.3171.9-169.40000111.5C160 W209S158-C160 VanDerWaalsContact C-N 3.27Å; S158-C160 PolarHBondContact O-N 3Å; S158-C160 VanDerWaalsContact O-N 3.1Å; S158-W209 VanDerWaalsContact O-CH2 3.24Å; S158-W209 WeakPolarHBondContact O-CH2 3.36Å
159K60.6Low79.7Confident98 Ų9868.5 Ų68.543%0.42636%0.36SS..SBendtrans-64.6-19.3-163.3-65.9-176.7176.1-175.10116.2E208K159-E208 WeakPolarHBondContact CE-OE1 3.19Å; K159-E208 WeakPolarHBondContact CE-OE2 3.43Å; K159-E208 IonicContact NZ-OE1 3.6Å; K159-E208 PolarHBondContact NZ-OE1 3.1Å; K159-E208 IonicContact NZ-OE2 2.73Å; K159-E208 PolarHBondContact NZ-OE2 3.27Å
160C53.9Low79.1Confident96 Ų9672.3 Ų72.365%0.64938%0.377SS*.SBendtrans-137.1157.6176.9-61.50000110.1S158S158-C160 VanDerWaalsContact C-N 3.27Å; S158-C160 PolarHBondContact O-N 3Å; S158-C160 VanDerWaalsContact O-N 3.1Å
161E55.2Low78.5Confident185 Ų18574.3 Ų74.386%0.86439%0.385SS*.  trans66.257.1-178.3-58.2-173172.700115.4D163E161-D163 PolarHBondContact O-N 2.88Å
162L70.6Confident78.1Confident8 Ų871 Ų714%0.04238%0.377CS..  trans-7176160.6-170.989000110.6I157 L164 V169 Y173 K215 I218I157-L162 HydrophobicContact CD1-CD1 4.01Å; I157-L162 HydrophobicContact CG2-CD1 3.69Å; L162-L164 HydrophobicContact CD1-CD2 4.29Å; L162-L164 HydrophobicContact CD2-CD1 4.16Å; L162-L164 HydrophobicContact CD2-CD2 4.05Å; L162-L164 HydrophobicContact CD2-CG 4.08Å; L162-L164 HydrophobicContact CG-CD2 3.97Å; L162-L164 HydrophobicContact CG-CG 4.16Å; L162-L164 PolarHBondContact O-N 2.93Å; L162-V169 HydrophobicContact CD1-CG1 4.34Å; L162-Y173 HydrophobicContact CD1-CD2 4.47Å; L162-K215 HydrophobicContact CB-CD 4.44Å; L162-K215 HydrophobicContact CD2-CD 3.95Å; L162-K215 PolarHBondContact O-NZ 2.92Å; L162-I218 HydrophobicContact CD1-CD1 4.26Å; L162-I218 HydrophobicContact CD2-CD1 3.9Å; L162-I218 HydrophobicContact CD2-CG1 3.83Å
163D75.9Confident77.8Confident84 Ų8472.3 Ų72.345%0.44938%0.382SS..  trans-82.5108.2167.9-173-2.2000110.4E161 S165 D166 V169E161-D163 PolarHBondContact O-N 2.88Å; D163-S165 PolarHBondContact O-N 3.48Å; D163-S165 VanDerWaalsContact OD1-CB 3.28Å; D163-S165 WeakPolarHBondContact OD1-CB 3.39Å; D163-S165 PolarHBondContact OD1-N 3.19Å; D163-S165 PolarHBondContact OD1-OG 3.43Å; D163-S165 PolarHBondContact OD2-OG 2.62Å; D163-D166 PolarHBondContact O-N 2.79Å; D163-V169 VanDerWaalsContact O-CB 3.3Å; D163-V169 WeakPolarHBondContact O-CB 3.34Å; D163-V169 WeakPolarHBondContact O-CG1 3.21Å
164L77Confident77.5Confident50 Ų5073.9 Ų73.926%0.26239%0.39SS..THydrogen-bonded Turntrans-81.2-1.7179.7-63.4171.7000113.1L162 F170 Y173 E217L162-L164 HydrophobicContact CD1-CD2 4.29Å; L162-L164 HydrophobicContact CD2-CD1 4.16Å; L162-L164 HydrophobicContact CD2-CD2 4.05Å; L162-L164 HydrophobicContact CD2-CG 4.08Å; L162-L164 HydrophobicContact CG-CD2 3.97Å; L162-L164 HydrophobicContact CG-CG 4.16Å; L162-L164 PolarHBondContact O-N 2.93Å; L164-F170 HydrophobicContact CB-CD2 4.47Å; L164-F170 HydrophobicContact CD2-CD2 4.25Å; L164-Y173 HydrophobicContact CD2-CD1 3.75Å; L164-Y173 HydrophobicContact CD2-CG 3.82Å; L164-E217 HydrophobicContact CD1-CB 4.36Å; L164-E217 HydrophobicContact CD1-CG 3.79Å
165S76.3Confident77.4Confident101 Ų10168.6 Ų68.671%0.70637%0.37SS*.THydrogen-bonded Turntrans-81.2-25.9169.679.70000112.6D163 K167D163-S165 PolarHBondContact O-N 3.48Å; D163-S165 VanDerWaalsContact OD1-CB 3.28Å; D163-S165 WeakPolarHBondContact OD1-CB 3.39Å; D163-S165 PolarHBondContact OD1-N 3.19Å; D163-S165 PolarHBondContact OD1-OG 3.43Å; D163-S165 PolarHBondContact OD2-OG 2.62Å; S165-K167 PolarHBondContact O-N 2.91Å
166D83.4Confident77.7Confident66 Ų6664.5 Ų64.535%0.35335%0.345SS..SBendtrans-72.2125.3169-179.3-74.6000110.3D163 N168 V169 F170D163-D166 PolarHBondContact O-N 2.79Å; D166-N168 VanDerWaalsContact C-N 3.32Å; D166-N168 PolarHBondContact O-N 2.64Å; D166-N168 VanDerWaalsContact OD1-CA 3.31Å; D166-N168 WeakPolarHBondContact OD1-CA 3.42Å; D166-N168 VanDerWaalsContact OD1-CB 3.27Å; D166-N168 WeakPolarHBondContact OD1-CB 3.45Å; D166-N168 PolarHBondContact OD1-N 2.96Å; D166-V169 HydrophobicContact CB-CB 4.06Å; D166-V169 HydrophobicContact CB-CG2 3.9Å; D166-V169 PolarHBondContact O-N 2.82Å; D166-V169 PolarHBondContact OD1-N 3.35Å; D166-F170 VanDerWaalsContact O-CB 3.27Å; D166-F170 WeakPolarHBondContact O-CB 3.23Å; D166-F170 PolarHBondContact O-N 2.83Å
167K82.3Confident78.4Confident148 Ų14864.2 Ų64.264%0.64334%0.344SS*.Hα-helixtrans-65.1-31.8-175.4-176.1176.6176.3-179.10113.4S165 Q171S165-K167 PolarHBondContact O-N 2.91Å; K167-Q171 WeakPolarHBondContact O-CB 3.48Å; K167-Q171 VanDerWaalsContact O-CG 3.25Å; K167-Q171 WeakPolarHBondContact O-CG 3.36Å; K167-Q171 PolarHBondContact O-N 3.28Å
168N81.5Confident79Confident101 Ų10163.9 Ų63.954%0.5434%0.343SS..Hα-helixtrans-79.4-40.6-179.8-49.8-59000110.7D166 Q171 S172D166-N168 VanDerWaalsContact C-N 3.32Å; D166-N168 PolarHBondContact O-N 2.64Å; D166-N168 VanDerWaalsContact OD1-CA 3.31Å; D166-N168 WeakPolarHBondContact OD1-CA 3.42Å; D166-N168 VanDerWaalsContact OD1-CB 3.27Å; D166-N168 WeakPolarHBondContact OD1-CB 3.45Å; D166-N168 PolarHBondContact OD1-N 2.96Å; N168-Q171 PolarHBondContact O-N 3.05Å; N168-S172 WeakPolarHBondContact O-CB 3.39Å; N168-S172 PolarHBondContact O-N 3.43Å; N168-S172 PolarHBondContact O-OG 3.43Å
169V83.4Confident80.3Confident43 Ų4359.2 Ų59.226%0.26131%0.311SS..Hα-helixtrans-62.5-45171.5179.10000109.9L162 D163 D166 S172 Y173L162-V169 HydrophobicContact CD1-CG1 4.34Å; D163-V169 VanDerWaalsContact O-CB 3.3Å; D163-V169 WeakPolarHBondContact O-CB 3.34Å; D163-V169 WeakPolarHBondContact O-CG1 3.21Å; D166-V169 HydrophobicContact CB-CB 4.06Å; D166-V169 HydrophobicContact CB-CG2 3.9Å; D166-V169 PolarHBondContact O-N 2.82Å; D166-V169 PolarHBondContact OD1-N 3.35Å; V169-S172 PolarHBondContact O-N 3.12Å; V169-Y173 WeakPolarHBondContact O-CB 3.37Å; V169-Y173 PolarHBondContact O-N 2.87Å
170F83.4Confident81.9Confident79 Ų7954.5 Ų54.535%0.34629%0.291SS..Hα-helixtrans-60.1-45.8175-177.7-102.5000112.7L164 D166 S172 Y173 Q174L164-F170 HydrophobicContact CB-CD2 4.47Å; L164-F170 HydrophobicContact CD2-CD2 4.25Å; D166-F170 VanDerWaalsContact O-CB 3.27Å; D166-F170 WeakPolarHBondContact O-CB 3.23Å; D166-F170 PolarHBondContact O-N 2.83Å; F170-S172 VanDerWaalsContact C-N 3.31Å; F170-S172 PolarHBondContact O-N 3.43Å; F170-Y173 PolarHBondContact O-N 2.91Å; F170-Q174 HydrophobicContact CD1-CG 4.27Å; F170-Q174 HydrophobicContact CE1-CG 3.95Å; F170-Q174 VanDerWaalsContact CE1-NE2 3.32Å; F170-Q174 HydrophobicContact CZ-CG 4.08Å; F170-Q174 WeakPolarHBondContact O-CG 3.42Å; F170-Q174 PolarHBondContact O-N 3.41Å
171Q83.2Confident83.7Confident47 Ų4750.7 Ų50.722%0.2227%0.265CS..Hα-helixtrans-63.3-35.9175.3-78.3179.32.900113I116 K167 N168 Q174 L175I116-Q171 HydrophobicContact CG2-CB 4.3Å; K167-Q171 WeakPolarHBondContact O-CB 3.48Å; K167-Q171 VanDerWaalsContact O-CG 3.25Å; K167-Q171 WeakPolarHBondContact O-CG 3.36Å; K167-Q171 PolarHBondContact O-N 3.28Å; N168-Q171 PolarHBondContact O-N 3.05Å; Q171-Q174 PolarHBondContact O-N 3.02Å; Q171-L175 PolarHBondContact O-N 3.28Å; Q171-L175 VanDerWaalsContact O-N 3.08Å
172S86.8Confident85.6Confident29 Ų2941.9 Ų41.920%0.20322%0.223CC..Hα-helixtrans-68.9-44.8175.6-560000111V156 N168 V169 F170 Q174 L175 W176V156-S172 WeakPolarHBondContact CG1-O 3.36Å; N168-S172 WeakPolarHBondContact O-CB 3.39Å; N168-S172 PolarHBondContact O-N 3.43Å; N168-S172 PolarHBondContact O-OG 3.43Å; V169-S172 PolarHBondContact O-N 3.12Å; F170-S172 VanDerWaalsContact C-N 3.31Å; F170-S172 PolarHBondContact O-N 3.43Å; S172-Q174 PolarHBondContact O-N 2.79Å; S172-L175 WeakPolarHBondContact O-CB 3.39Å; S172-L175 PolarHBondContact O-N 3.05Å; S172-L175 VanDerWaalsContact O-N 3.16Å; S172-W176 PolarHBondContact O-N 2.94Å
173Y87.1Confident86.9Confident34 Ų3441.5 Ų41.513%0.13322%0.221CC..Hα-helixtrans-57.9-44.2171.2166.4-106.1000112.2I157 L162 L164 V169 F170 L175 W176 S177 E217 I218I157-Y173 HydrophobicContact CD1-CD2 4.11Å; L162-Y173 HydrophobicContact CD1-CD2 4.47Å; L164-Y173 HydrophobicContact CD2-CD1 3.75Å; L164-Y173 HydrophobicContact CD2-CG 3.82Å; V169-Y173 WeakPolarHBondContact O-CB 3.37Å; V169-Y173 PolarHBondContact O-N 2.87Å; F170-Y173 PolarHBondContact O-N 2.91Å; Y173-L175 VanDerWaalsContact C-N 3.31Å; Y173-L175 PolarHBondContact O-N 3.39Å; Y173-W176 HydrophobicContact CD2-CE3 4.12Å; Y173-W176 HydrophobicContact CE2-CE3 4.15Å; Y173-W176 HydrophobicContact CE2-CZ3 4.21Å; Y173-W176 PolarHBondContact O-N 3.5Å; Y173-S177 VanDerWaalsContact O-CB 3.3Å; Y173-S177 WeakPolarHBondContact O-CB 3.38Å; Y173-S177 PolarHBondContact O-N 3.12Å; Y173-E217 HydrophobicContact CE2-CB 3.93Å; Y173-E217 WeakPolarHBondContact CE2-O 3.37Å; Y173-E217 PolarHBondContact OH-O 3.44Å; Y173-I218 HydrophobicContact CD2-CD1 4.43Å; Y173-I218 HydrophobicContact CE2-CD1 4.49Å
174Q86.7Confident87.8Confident33 Ų3338 Ų3815%0.15420%0.203CC..Hα-helixtrans-60.6-38.1175.7-74.2-174.3-44.800112.2R120 F170 Q171 S172 S178R120-Q174 VanDerWaalsContact CZ-OE1 3.26Å; F170-Q174 HydrophobicContact CD1-CG 4.27Å; F170-Q174 HydrophobicContact CE1-CG 3.95Å; F170-Q174 VanDerWaalsContact CE1-NE2 3.32Å; F170-Q174 HydrophobicContact CZ-CG 4.08Å; F170-Q174 WeakPolarHBondContact O-CG 3.42Å; F170-Q174 PolarHBondContact O-N 3.41Å; Q171-Q174 PolarHBondContact O-N 3.02Å; S172-Q174 PolarHBondContact O-N 2.79Å; Q174-S178 WeakPolarHBondContact O-CB 3.3Å; Q174-S178 PolarHBondContact O-N 2.88Å; Q174-S178 PolarHBondContact O-OG 2.84Å
175L90.1Very high88.6Confident5 Ų535.9 Ų35.93%0.02619%0.193CC..Hα-helixtrans-66.2-48.5172.817460.5000111.5I116 K119 R120 V123 V156 Q171 S172 Y173 S178 V179I116-L175 HydrophobicContact CG2-CB 4.36Å; I116-L175 HydrophobicContact CG2-CD2 4.38Å; K119-L175 HydrophobicContact CB-CD1 3.98Å; K119-L175 HydrophobicContact CB-CD2 3.97Å; K119-L175 HydrophobicContact CD-CD2 4.06Å; R120-L175 HydrophobicContact CG-CB 3.82Å; R120-L175 HydrophobicContact CG-CD1 3.8Å; R120-L175 HydrophobicContact CG-CG 4.34Å; V123-L175 HydrophobicContact CG2-CD1 3.85Å; V156-L175 HydrophobicContact CG1-CB 4.29Å; V156-L175 HydrophobicContact CG1-CD2 4.21Å; V156-L175 HydrophobicContact CG1-CG 4.28Å; V156-L175 HydrophobicContact CG2-CD2 4.18Å; Q171-L175 PolarHBondContact O-N 3.28Å; Q171-L175 VanDerWaalsContact O-N 3.08Å; S172-L175 WeakPolarHBondContact O-CB 3.39Å; S172-L175 PolarHBondContact O-N 3.05Å; S172-L175 VanDerWaalsContact O-N 3.16Å; Y173-L175 VanDerWaalsContact C-N 3.31Å; Y173-L175 PolarHBondContact O-N 3.39Å; L175-S178 WeakPolarHBondContact O-CB 3.41Å; L175-S178 PolarHBondContact O-N 3.34Å; L175-V179 HydrophobicContact CD1-CG2 4.29Å; L175-V179 WeakPolarHBondContact O-CG2 3.36Å; L175-V179 PolarHBondContact O-N 3.18Å
176W92.4Very high89.5Confident1 Ų131 Ų310%0.00416%0.159CC..Hα-helixtrans-61.2-46.2-179.9178.287.3000112.4F153 V156 I157 S172 Y173 S178 V179 C180 I218 P221 I222F153-W176 HydrophobicContact CE2-CZ2 4.34Å; F153-W176 PolarHBondContact O-NE1 3.15Å; V156-W176 HydrophobicContact CB-CB 4.15Å; V156-W176 HydrophobicContact CG1-CB 3.84Å; I157-W176 HydrophobicContact CD1-CB 3.74Å; I157-W176 HydrophobicContact CD1-CD2 3.54Å; I157-W176 HydrophobicContact CD1-CE3 3.7Å; I157-W176 HydrophobicContact CD1-CG 3.57Å; I157-W176 HydrophobicContact CD1-CZ3 4.47Å; I157-W176 HydrophobicContact CG1-CB 3.82Å; I157-W176 HydrophobicContact CG1-CD2 4.28Å; I157-W176 HydrophobicContact CG1-CG 3.81Å; S172-W176 PolarHBondContact O-N 2.94Å; Y173-W176 HydrophobicContact CD2-CE3 4.12Å; Y173-W176 HydrophobicContact CE2-CE3 4.15Å; Y173-W176 HydrophobicContact CE2-CZ3 4.21Å; Y173-W176 PolarHBondContact O-N 3.5Å; W176-S178 VanDerWaalsContact C-N 3.31Å; W176-S178 PolarHBondContact O-N 2.89Å; W176-V179 CarbonylContact O-C 3.57Å; W176-V179 WeakPolarHBondContact O-CA 3.45Å; W176-V179 WeakPolarHBondContact O-CB 3.43Å; W176-V179 PolarHBondContact O-N 3.02Å; W176-C180 VanDerWaalsContact CE2-SG 3.59Å; W176-C180 PolarHBondContact O-N 3.31Å; W176-C180 PolarHBondContact O-SG 3.09Å; W176-I218 HydrophobicContact CE3-CD1 4.35Å; W176-I218 HydrophobicContact CH2-CD1 3.9Å; W176-I218 HydrophobicContact CH2-CG2 4.32Å; W176-I218 HydrophobicContact CZ3-CD1 3.7Å; W176-P221 HydrophobicContact CH2-CB 4.3Å; W176-P221 HydrophobicContact CZ3-CB 4.07Å; W176-P221 HydrophobicContact CZ3-CG 4.12Å; W176-I222 HydrophobicContact CH2-CD1 3.99Å; W176-I222 HydrophobicContact CH2-CG1 3.85Å; W176-I222 HydrophobicContact CZ2-CD1 4.06Å; W176-I222 HydrophobicContact CZ2-CG1 4.03Å
177S89.6Confident90Very high20 Ų2027.9 Ų27.914%0.1414%0.142CC..Hα-helixtrans-61.3-38176.4-1730000112.3Y173 C180 S181Y173-S177 VanDerWaalsContact O-CB 3.3Å; Y173-S177 WeakPolarHBondContact O-CB 3.38Å; Y173-S177 PolarHBondContact O-N 3.12Å; S177-C180 PolarHBondContact O-N 2.96Å; S177-S181 PolarHBondContact O-N 3.29Å; S177-S181 PolarHBondContact O-OG 3.47Å
178S90.8Very high90.2Very high15 Ų1522.2 Ų22.211%0.10512%0.119CC..Hα-helixtrans-64.6-38.8171.4-53.60000112Q174 L175 W176 T182Q174-S178 WeakPolarHBondContact O-CB 3.3Å; Q174-S178 PolarHBondContact O-N 2.88Å; Q174-S178 PolarHBondContact O-OG 2.84Å; L175-S178 WeakPolarHBondContact O-CB 3.41Å; L175-S178 PolarHBondContact O-N 3.34Å; W176-S178 VanDerWaalsContact C-N 3.31Å; W176-S178 PolarHBondContact O-N 2.89Å; S178-T182 WeakPolarHBondContact O-CB 3.49Å; S178-T182 PolarHBondContact O-N 3.31Å; S178-T182 PolarHBondContact O-OG1 3.43Å
179V95.3Very high90.4Very high0 Ų018 Ų180%010%0.096CC..Hα-helixtrans-66.2-44.1175.5168.10000111.1V123 L149 L152 F153 L175 W176 S181 T182 L183V123-V179 HydrophobicContact CG1-CG2 4.27Å; V123-V179 HydrophobicContact CG2-CG2 3.84Å; L149-V179 HydrophobicContact CB-CG1 4.26Å; L149-V179 HydrophobicContact CD2-CG1 4.29Å; L149-V179 HydrophobicContact CD2-CG2 4.1Å; L149-V179 VanDerWaalsContact O-CG1 3.32Å; L149-V179 WeakPolarHBondContact O-CG1 3.47Å; L152-V179 HydrophobicContact CB-CG1 4.26Å; L152-V179 HydrophobicContact CB-CG2 4.07Å; L152-V179 HydrophobicContact CD1-CG2 4.18Å; F153-V179 HydrophobicContact CB-CG1 4.19Å; L175-V179 HydrophobicContact CD1-CG2 4.29Å; L175-V179 WeakPolarHBondContact O-CG2 3.36Å; L175-V179 PolarHBondContact O-N 3.18Å; W176-V179 CarbonylContact O-C 3.57Å; W176-V179 WeakPolarHBondContact O-CA 3.45Å; W176-V179 WeakPolarHBondContact O-CB 3.43Å; W176-V179 PolarHBondContact O-N 3.02Å; V179-S181 PolarHBondContact O-N 2.96Å; V179-T182 PolarHBondContact O-N 3.07Å; V179-L183 HydrophobicContact CG1-CD1 3.95Å; V179-L183 HydrophobicContact CG1-CG 4.41Å; V179-L183 WeakPolarHBondContact O-CG 3.4Å; V179-L183 PolarHBondContact O-N 3.36Å
180C94.4Very high90.6Very high0 Ų017.9 Ų17.90%010%0.096CC..Hα-helixtrans-55.3-51.4174.1-64.60000110.9F153 W176 S177 T182 L183 C184 P221F153-C180 VanDerWaalsContact CD2-SG 3.58Å; W176-C180 VanDerWaalsContact CE2-SG 3.59Å; W176-C180 PolarHBondContact O-N 3.31Å; W176-C180 PolarHBondContact O-SG 3.09Å; S177-C180 PolarHBondContact O-N 2.96Å; C180-T182 VanDerWaalsContact C-N 3.32Å; C180-T182 PolarHBondContact O-N 3.01Å; C180-L183 PolarHBondContact O-N 3.15Å; C180-C184 PolarHBondContact O-N 3.49Å; C180-C184 PolarHBondContact O-SG 2.95Å; C180-P221 HydrophobicContact CB-CB 3.9Å
181S91.9Very high91.1Very high15 Ų1516.4 Ų16.411%0.1059%0.09CC..Hα-helixtrans-62.6-37.9178.5-55.20000112.6S177 V179 C184 V185 I571S177-S181 PolarHBondContact O-N 3.29Å; S177-S181 PolarHBondContact O-OG 3.47Å; V179-S181 PolarHBondContact O-N 2.96Å; S181-C184 WeakPolarHBondContact O-CB 3.34Å; S181-C184 PolarHBondContact O-N 2.87Å; S181-V185 WeakPolarHBondContact O-CG2 3.28Å; S181-V185 PolarHBondContact O-N 3.31Å; S181-V185 VanDerWaalsContact O-N 3.12Å; S181-I571 WeakPolarHBondContact OG-CD1 3.13Å; S181-I571 WeakPolarHBondContact OG-CG2 3.49Å
182T95.6Very high91.6Very high0 Ų014.7 Ų14.70%08%0.083CC..Hα-helixtrans-65.4-41.1175.4-54.80000111.6V123 I126 L127 L149 S178 V179 C180 V185 C186V123-T182 WeakPolarHBondContact CG1-OG1 3.45Å; I126-T182 HydrophobicContact CB-CG2 4.25Å; I126-T182 HydrophobicContact CG2-CG2 3.68Å; L127-T182 HydrophobicContact CB-CG2 4.33Å; L149-T182 HydrophobicContact CD1-CG2 3.65Å; L149-T182 HydrophobicContact CD2-CG2 4.42Å; S178-T182 WeakPolarHBondContact O-CB 3.49Å; S178-T182 PolarHBondContact O-N 3.31Å; S178-T182 PolarHBondContact O-OG1 3.43Å; V179-T182 PolarHBondContact O-N 3.07Å; C180-T182 VanDerWaalsContact C-N 3.32Å; C180-T182 PolarHBondContact O-N 3.01Å; T182-V185 PolarHBondContact O-N 3.25Å; T182-C186 PolarHBondContact O-N 3.28Å; T182-C186 PolarHBondContact O-SG 2.91Å
183L96.9Very high92Very high0 Ų017.3 Ų17.30%010%0.095CC..Hα-helixtrans-64.2-42.3175-71.7168.1000111.6I146 L149 F153 V179 C180 V185 C186 V187 L202 F225I146-L183 HydrophobicContact CG1-CD2 4.07Å; L149-L183 HydrophobicContact CB-CD2 3.77Å; L149-L183 HydrophobicContact CB-CG 4.17Å; L149-L183 HydrophobicContact CD1-CD2 4.41Å; F153-L183 HydrophobicContact CB-CD1 3.94Å; F153-L183 HydrophobicContact CD2-CD1 4.08Å; F153-L183 HydrophobicContact CG-CD1 4.2Å; V179-L183 HydrophobicContact CG1-CD1 3.95Å; V179-L183 HydrophobicContact CG1-CG 4.41Å; V179-L183 WeakPolarHBondContact O-CG 3.4Å; V179-L183 PolarHBondContact O-N 3.36Å; C180-L183 PolarHBondContact O-N 3.15Å; L183-V185 VanDerWaalsContact C-N 3.31Å; L183-V185 PolarHBondContact O-N 2.79Å; L183-C186 WeakPolarHBondContact O-CB 3.22Å; L183-C186 PolarHBondContact O-N 2.87Å; L183-V187 PolarHBondContact O-N 3.27Å; L183-V187 VanDerWaalsContact O-N 3.11Å; L183-L202 HydrophobicContact CD1-CD1 3.78Å; L183-F225 HydrophobicContact CB-CD2 3.97Å; L183-F225 HydrophobicContact CB-CE2 3.96Å
184C95.2Very high92.5Very high10 Ų1021.2 Ų21.27%0.06811%0.114CC..Hα-helixtrans-52.9-47.6172.5-65.40000112.2C180 S181 V187 N188 F225 L228C180-C184 PolarHBondContact O-N 3.49Å; C180-C184 PolarHBondContact O-SG 2.95Å; S181-C184 WeakPolarHBondContact O-CB 3.34Å; S181-C184 PolarHBondContact O-N 2.87Å; C184-V187 VanDerWaalsContact O-CG2 3.24Å; C184-V187 WeakPolarHBondContact O-CG2 3.3Å; C184-V187 PolarHBondContact O-N 3.17Å; C184-N188 PolarHBondContact O-N 3.01Å; C184-F225 WeakPolarHBondContact SG-CA 3.24Å; C184-L228 HydrophobicContact CB-CD1 3.66Å
185V94.2Very high93Very high6 Ų619.6 Ų19.64%0.03611%0.107CC..Hα-helixtrans-73.3-31.3-179.2176.40000111.8L127 V130 S131 Q137 S181 T182 L183 V187 N189L127-V185 HydrophobicContact CD1-CB 3.98Å; L127-V185 HydrophobicContact CD1-CG1 4.25Å; L127-V185 HydrophobicContact CD1-CG2 3.72Å; V130-V185 HydrophobicContact CB-CG1 4.44Å; V130-V185 HydrophobicContact CG2-CB 4.2Å; V130-V185 HydrophobicContact CG2-CG1 3.61Å; S131-V185 VanDerWaalsContact CA-CG1 3.41Å; S131-V185 VanDerWaalsContact OG-CG1 3.3Å; S131-V185 WeakPolarHBondContact OG-CG1 3.34Å; Q137-V185 PolarHBondContact NE2-O 3.15Å; S181-V185 WeakPolarHBondContact O-CG2 3.28Å; S181-V185 PolarHBondContact O-N 3.31Å; S181-V185 VanDerWaalsContact O-N 3.12Å; T182-V185 PolarHBondContact O-N 3.25Å; L183-V185 VanDerWaalsContact C-N 3.31Å; L183-V185 PolarHBondContact O-N 2.79Å; V185-V187 VanDerWaalsContact C-N 3.29Å; V185-V187 PolarHBondContact O-N 2.84Å; V185-N189 HydrophobicContact CB-CB 4.24Å; V185-N189 HydrophobicContact CG1-CB 3.83Å; V185-N189 HydrophobicContact CG2-CB 4.29Å; V185-N189 PolarHBondContact O-N 3.02Å
186C95.9Very high93.3Very high0 Ų019.4 Ų19.40%011%0.105CC..Hα-helixtrans-61.8-34.5171.5-69.80000112.8Q137 V140 I146 T182 L183 N195Q137-C186 PolarHBondContact NE2-O 3.35Å; V140-C186 HydrophobicContact CG1-CB 4.49Å; I146-C186 HydrophobicContact CD1-CB 4.14Å; T182-C186 PolarHBondContact O-N 3.28Å; T182-C186 PolarHBondContact O-SG 2.91Å; L183-C186 WeakPolarHBondContact O-CB 3.22Å; L183-C186 PolarHBondContact O-N 2.87Å; C186-N195 WeakPolarHBondContact O-CB 3.36Å; C186-N195 PolarHBondContact O-ND2 3.24Å
187V94.1Very high93.5Very high0 Ų023 Ų230%012%0.123CC..Hα-helixtrans-93.3-34.7-177.7-56.20000113.8L183 C184 V185 N192 N195 Q196 C199 L228L183-V187 PolarHBondContact O-N 3.27Å; L183-V187 VanDerWaalsContact O-N 3.11Å; C184-V187 VanDerWaalsContact O-CG2 3.24Å; C184-V187 WeakPolarHBondContact O-CG2 3.3Å; C184-V187 PolarHBondContact O-N 3.17Å; V185-V187 VanDerWaalsContact C-N 3.29Å; V185-V187 PolarHBondContact O-N 2.84Å; V187-N192 PolarHBondContact O-N 2.75Å; V187-N195 HydrophobicContact CG1-CB 4.2Å; V187-Q196 HydrophobicContact CB-CG 3.81Å; V187-C199 HydrophobicContact CG1-CB 3.64Å; V187-C199 WeakPolarHBondContact CG1-SG 3.32Å; V187-L228 HydrophobicContact CG2-CB 4.39Å
188N86.6Confident93.8Very high28 Ų2825.2 Ų25.215%0.1513%0.131CC..Hα-helixtrans-150.155-170.5-162.96000114.6C184 P190 Q191 L228 A231C184-N188 PolarHBondContact O-N 3.01Å; N188-P190 CarbonylContact C-O 3.55Å; N188-Q191 WeakPolarHBondContact OD1-CA 3.4Å; N188-Q191 PolarHBondContact OD1-N 3.22Å; N188-L228 HydrophobicContact CB-CB 4.13Å; N188-L228 HydrophobicContact CB-CD2 4.24Å; N188-L228 WeakPolarHBondContact CB-O 3.27Å; N188-L228 PolarHBondContact ND2-O 2.91Å; N188-A231 WeakPolarHBondContact ND2-CB 3.28Å
189N84.8Confident94.1Very high13 Ų1324.5 Ų24.57%0.0713%0.126CC..THydrogen-bonded Turntrans-153.375.3160.6-175.8-2.9000110.9N132 Q137 V185 F578N132-N189 WeakPolarHBondContact CA-O 3.36Å; N132-N189 VanDerWaalsContact CG-OD1 3.31Å; N132-N189 PolarHBondContact N-O 3.2Å; N132-N189 PolarHBondContact N-OD1 2.94Å; N132-N189 PolarHBondContact ND2-OD1 3.46Å; N132-N189 PolarHBondContact OD1-OD1 3.24Å; Q137-N189 VanDerWaalsContact NE2-C 3.33Å; Q137-N189 PolarHBondContact NE2-O 2.81Å; V185-N189 HydrophobicContact CB-CB 4.24Å; V185-N189 HydrophobicContact CG1-CB 3.83Å; V185-N189 HydrophobicContact CG2-CB 4.29Å; V185-N189 PolarHBondContact O-N 3.02Å; N189-F578 HydrophobicContact CB-CZ 4.4Å
190P88.7Confident94.2Very high40 Ų4025 Ų2526%0.2613%0.129SC..THydrogen-bonded Turncis-82176.90.735.7-38.3000113.3R134 Q137 N188 N192R134-P190 HydrophobicContact CG-CG 3.52Å; Q137-P190 PolarHBondContact NE2-O 2.82Å; Q137-P190 PolarHBondContact OE1-O 2.88Å; N188-P190 CarbonylContact C-O 3.55Å; P190-N192 PolarHBondContact O-N 3.24Å
191Q92.8Very high94.2Very high48 Ų4827.3 Ų27.322%0.22415%0.145CC..BIsolated β-bridgetrans-51.4129.8175.2-174.7-179.7-22.900112.7R134 N188 D193 N232R134-Q191 PolarHBondContact NH1-O 2.81Å; R134-Q191 PolarHBondContact NH2-O 3.34Å; N188-Q191 WeakPolarHBondContact OD1-CA 3.4Å; N188-Q191 PolarHBondContact OD1-N 3.22Å; Q191-D193 WeakPolarHBondContact CG-OD1 3.36Å; Q191-D193 PolarHBondContact NE2-OD1 3.01Å; Q191-N232 PolarHBondContact OE1-ND2 3.41Å
192N94.9Very high94.5Very high11 Ų1126.7 Ų26.76%0.05914%0.14CC..  trans-14091.8-177.7-171-47.3000110.2Q137 V187 P190 E194 N195 Q196Q137-N192 WeakPolarHBondContact CB-ND2 3.48Å; Q137-N192 PolarHBondContact OE1-ND2 2.88Å; V187-N192 PolarHBondContact O-N 2.75Å; P190-N192 PolarHBondContact O-N 3.24Å; N192-E194 VanDerWaalsContact C-N 3.29Å; N192-E194 PolarHBondContact O-N 3.19Å; N192-N195 HydrophobicContact CB-CB 4.18Å; N192-N195 PolarHBondContact O-N 3.08Å; N192-N195 VanDerWaalsContact OD1-CG 3.3Å; N192-N195 PolarHBondContact OD1-N 3.38Å; N192-N195 PolarHBondContact OD1-OD1 3.42Å; N192-Q196 PolarHBondContact O-N 3.4Å
193D95.3Very high94.6Very high85 Ų8526.7 Ų26.746%0.45514%0.14SC..Hα-helixtrans-59.7-37.6-170.9-46.8-21.2000112.6Q191 N195 Q196 M197Q191-D193 WeakPolarHBondContact CG-OD1 3.36Å; Q191-D193 PolarHBondContact NE2-OD1 3.01Å; D193-N195 VanDerWaalsContact C-N 3.3Å; D193-N195 PolarHBondContact O-N 3.2Å; D193-Q196 WeakPolarHBondContact O-CB 3.41Å; D193-Q196 PolarHBondContact O-N 3.42Å; D193-M197 WeakPolarHBondContact O-CB 3.48Å; D193-M197 WeakPolarHBondContact O-CG 3.43Å; D193-M197 PolarHBondContact O-N 2.95Å
194E95.9Very high94.5Very high115 Ų11529.9 Ų29.954%0.53716%0.161SC..Hα-helixtrans-61.7-38.3176.4-60.6174.6114.500112R141 N192 F198R141-E194 IonicContact CZ-OE1 3.61Å; R141-E194 IonicContact CZ-OE2 3.69Å; R141-E194 VanDerWaalsContact NH1-CB 3.25Å; R141-E194 IonicContact NH1-OE2 2.87Å; R141-E194 PolarHBondContact NH1-OE2 3.4Å; R141-E194 IonicContact NH2-OE1 2.39Å; R141-E194 PolarHBondContact NH2-OE1 2.88Å; R141-E194 VanDerWaalsContact NH2-OE1 3.16Å; R141-E194 IonicContact NH2-OE2 2.81Å; R141-E194 PolarHBondContact NH2-OE2 3.25Å; N192-E194 VanDerWaalsContact C-N 3.29Å; N192-E194 PolarHBondContact O-N 3.19Å; E194-F198 PolarHBondContact O-N 2.7Å; E194-F198 VanDerWaalsContact O-N 3.13Å
195N96.9Very high94.5Very high0 Ų030.6 Ų30.60%016%0.163CC..Hα-helixtrans-77.2-35.5177-690.9000111.3Q137 R141 I146 C186 V187 N192 D193 M197 F198 C199Q137-N195 PolarHBondContact O-ND2 3.08Å; R141-N195 WeakPolarHBondContact CD-OD1 3.4Å; R141-N195 PolarHBondContact NH1-OD1 3.44Å; I146-N195 HydrophobicContact CD1-CB 4.28Å; C186-N195 WeakPolarHBondContact O-CB 3.36Å; C186-N195 PolarHBondContact O-ND2 3.24Å; V187-N195 HydrophobicContact CG1-CB 4.2Å; N192-N195 HydrophobicContact CB-CB 4.18Å; N192-N195 PolarHBondContact O-N 3.08Å; N192-N195 VanDerWaalsContact OD1-CG 3.3Å; N192-N195 PolarHBondContact OD1-N 3.38Å; N192-N195 PolarHBondContact OD1-OD1 3.42Å; D193-N195 VanDerWaalsContact C-N 3.3Å; D193-N195 PolarHBondContact O-N 3.2Å; N195-M197 VanDerWaalsContact C-N 3.34Å; N195-F198 PolarHBondContact O-N 3.03Å; N195-C199 WeakPolarHBondContact O-CB 3.41Å; N195-C199 PolarHBondContact O-N 3.01Å
196Q96.9Very high94.5Very high0 Ų030.3 Ų30.30%016%0.162CC..Hα-helixtrans-58.4-45.8169.7-70.1177.5-38.500111.1V187 N192 D193 F198 C199 C200 L228 T229 A231 N233 V236V187-Q196 HydrophobicContact CB-CG 3.81Å; N192-Q196 PolarHBondContact O-N 3.4Å; D193-Q196 WeakPolarHBondContact O-CB 3.41Å; D193-Q196 PolarHBondContact O-N 3.42Å; Q196-F198 VanDerWaalsContact C-N 3.3Å; Q196-F198 PolarHBondContact O-N 2.61Å; Q196-C199 PolarHBondContact O-N 3.38Å; Q196-C200 PolarHBondContact O-N 2.98Å; Q196-L228 PolarHBondContact NE2-O 3.45Å; Q196-T229 HydrophobicContact CB-CG2 4.33Å; Q196-T229 WeakPolarHBondContact CB-O 3.36Å; Q196-T229 WeakPolarHBondContact CG-O 3.37Å; Q196-T229 PolarHBondContact NE2-O 3.43Å; Q196-T229 WeakPolarHBondContact O-CG2 3.24Å; Q196-A231 PolarHBondContact NE2-O 3.46Å; Q196-N233 PolarHBondContact OE1-ND2 3.46Å; Q196-V236 HydrophobicContact CB-CG2 4.28Å
197M95.9Very high94.4Very high77 Ų7730.7 Ų30.738%0.37916%0.164SC..Hα-helixtrans-61-34.7175.9-70.7-72.3-63.700113D193 N195 C200 Y235 V236D193-M197 WeakPolarHBondContact O-CB 3.48Å; D193-M197 WeakPolarHBondContact O-CG 3.43Å; D193-M197 PolarHBondContact O-N 2.95Å; N195-M197 VanDerWaalsContact C-N 3.34Å; M197-C200 PolarHBondContact O-SG 3.43Å; M197-Y235 HydrophobicContact CE-CD1 3.59Å; M197-Y235 HydrophobicContact CE-CE1 3.43Å; M197-Y235 VanDerWaalsContact CE-CE1 3.43Å; M197-Y235 HydrophobicContact CE-CE2 4.41Å; M197-Y235 HydrophobicContact CE-CG 4.17Å; M197-Y235 HydrophobicContact SD-CD1 3.2Å; M197-Y235 WeakPolarHBondContact SD-CD1 3.41Å; M197-Y235 HydrophobicContact SD-CE1 3.67Å; M197-Y235 HydrophobicContact SD-CG 3.82Å; M197-V236 HydrophobicContact CG-CG2 4.4Å; M197-V236 HydrophobicContact SD-CG2 3.86Å
198F96.5Very high94.3Very high67 Ų6733.5 Ų33.529%0.29418%0.177SC..Hα-helixtrans-71.5-48.7173.6-174.9-87.6000111.7I146 T147 E194 N195 Q196 C200 S201I146-F198 HydrophobicContact CB-CE1 4.38Å; I146-F198 HydrophobicContact CD1-CD1 4Å; I146-F198 HydrophobicContact CG1-CD1 4.01Å; I146-F198 HydrophobicContact CG1-CE1 4.09Å; I146-F198 HydrophobicContact CG2-CD1 3.99Å; I146-F198 HydrophobicContact CG2-CE1 3.73Å; I146-F198 HydrophobicContact CG2-CG 4.5Å; I146-F198 HydrophobicContact CG2-CZ 4.02Å; T147-F198 HydrophobicContact CG2-CZ 4.32Å; T147-F198 WeakPolarHBondContact OG1-CZ 3.47Å; E194-F198 PolarHBondContact O-N 2.7Å; E194-F198 VanDerWaalsContact O-N 3.13Å; N195-F198 PolarHBondContact O-N 3.03Å; Q196-F198 VanDerWaalsContact C-N 3.3Å; Q196-F198 PolarHBondContact O-N 2.61Å; F198-C200 VanDerWaalsContact C-N 3.34Å; F198-C200 PolarHBondContact O-N 3.08Å; F198-S201 WeakPolarHBondContact O-CB 3.46Å; F198-S201 PolarHBondContact O-N 3.23Å; F198-S201 PolarHBondContact O-OG 3.04Å
199C97.2Very high94.5Very high0 Ų032.6 Ų32.60%017%0.171CC..Hα-helixtrans-70.3-22.8-175.2-78.90000114.2V187 N195 Q196 S201 L202 F225 T229V187-C199 HydrophobicContact CG1-CB 3.64Å; V187-C199 WeakPolarHBondContact CG1-SG 3.32Å; N195-C199 WeakPolarHBondContact O-CB 3.41Å; N195-C199 PolarHBondContact O-N 3.01Å; Q196-C199 PolarHBondContact O-N 3.38Å; C199-S201 PolarHBondContact O-N 3.26Å; C199-L202 VanDerWaalsContact O-CB 3.31Å; C199-L202 WeakPolarHBondContact O-CB 3.48Å; C199-L202 PolarHBondContact O-N 3.4Å; C199-F225 HydrophobicContact CB-CE2 3.99Å; C199-F225 HydrophobicContact CB-CZ 3.96Å; C199-T229 HydrophobicContact CB-CG2 3.92Å
200C96.6Very high94.9Very high10 Ų1032 Ų327%0.06817%0.168CC..G310 helixtrans-57.2-25.9175.981.90000112.6Q196 M197 F198 L202 F203 V236 Y239Q196-C200 PolarHBondContact O-N 2.98Å; M197-C200 PolarHBondContact O-SG 3.43Å; F198-C200 VanDerWaalsContact C-N 3.34Å; F198-C200 PolarHBondContact O-N 3.08Å; C200-L202 PolarHBondContact O-N 2.88Å; C200-F203 HydrophobicContact CB-CD2 3.89Å; C200-F203 HydrophobicContact CB-CE2 3.55Å; C200-F203 HydrophobicContact CB-CZ 4.05Å; C200-F203 WeakPolarHBondContact O-CB 3.27Å; C200-F203 VanDerWaalsContact O-CD2 3.3Å; C200-F203 WeakPolarHBondContact O-CD2 3.32Å; C200-F203 WeakPolarHBondContact O-CG 3.5Å; C200-F203 PolarHBondContact O-N 2.76Å; C200-V236 HydrophobicContact CB-CG1 3.78Å; C200-V236 HydrophobicContact CB-CG2 4.33Å; C200-Y239 HydrophobicContact CB-CD1 3.87Å; C200-Y239 HydrophobicContact CB-CE1 4.27Å; C200-Y239 WeakPolarHBondContact O-CE1 3.44Å
201S96.2Very high95Very high49 Ų4936 Ų3634%0.34318%0.181SC..G310 helixtrans-61.6-7.1172.172.30000115R154 F198 C199R154-S201 PolarHBondContact NH2-O 3.29Å; F198-S201 WeakPolarHBondContact O-CB 3.46Å; F198-S201 PolarHBondContact O-N 3.23Å; F198-S201 PolarHBondContact O-OG 3.04Å; C199-S201 PolarHBondContact O-N 3.26Å
202L97Very high94.7Very high1 Ų138.1 Ų38.11%0.00519%0.194CC..G310 helixtrans-89.9-16.8172.3-62.4-177.3000113.6F153 R154 L183 C199 C200 H205 A206 F225F153-L202 HydrophobicContact CB-CD1 4.35Å; F153-L202 HydrophobicContact CD1-CB 4.2Å; F153-L202 HydrophobicContact CD1-CD1 3.85Å; F153-L202 HydrophobicContact CD1-CD2 3.92Å; F153-L202 HydrophobicContact CD1-CG 4.22Å; F153-L202 HydrophobicContact CE1-CB 3.98Å; F153-L202 HydrophobicContact CE1-CD1 4.3Å; F153-L202 HydrophobicContact CE1-CD2 4.49Å; F153-L202 HydrophobicContact CG-CD1 4.03Å; R154-L202 HydrophobicContact CG-CD2 4.1Å; L183-L202 HydrophobicContact CD1-CD1 3.78Å; C199-L202 VanDerWaalsContact O-CB 3.31Å; C199-L202 WeakPolarHBondContact O-CB 3.48Å; C199-L202 PolarHBondContact O-N 3.4Å; C200-L202 PolarHBondContact O-N 2.88Å; L202-H205 PolarHBondContact O-N 2.79Å; L202-A206 PolarHBondContact O-N 3.2Å; L202-F225 HydrophobicContact CB-CE1 3.8Å; L202-F225 HydrophobicContact CB-CZ 3.8Å; L202-F225 HydrophobicContact CD1-CE1 4.27Å; L202-F225 HydrophobicContact CD1-CE2 4.14Å; L202-F225 HydrophobicContact CD1-CZ 3.64Å; L202-F225 HydrophobicContact CG-CZ 4.21Å
203F97.4Very high94.3Very high0 Ų038.4 Ų38.40%020%0.197CC..Hα-helixtrans-54.6-41.5-174.7-64.3-26.4000114.8C200 H205 A206 N207 F225 I226 T229 L230 V236 Y239 F240 V243C200-F203 HydrophobicContact CB-CD2 3.89Å; C200-F203 HydrophobicContact CB-CE2 3.55Å; C200-F203 HydrophobicContact CB-CZ 4.05Å; C200-F203 WeakPolarHBondContact O-CB 3.27Å; C200-F203 VanDerWaalsContact O-CD2 3.3Å; C200-F203 WeakPolarHBondContact O-CD2 3.32Å; C200-F203 WeakPolarHBondContact O-CG 3.5Å; C200-F203 PolarHBondContact O-N 2.76Å; F203-H205 PolarHBondContact O-N 3.2Å; F203-A206 PolarHBondContact O-N 2.92Å; F203-N207 WeakPolarHBondContact O-CB 3.19Å; F203-N207 PolarHBondContact O-N 2.86Å; F203-N207 PolarHBondContact O-ND2 2.91Å; F203-N207 PolarHBondContact O-OD1 3.16Å; F203-F225 HydrophobicContact CD1-CE1 4.22Å; F203-F225 HydrophobicContact CE1-CE1 4.29Å; F203-I226 HydrophobicContact CD1-CG1 4.36Å; F203-I226 HydrophobicContact CE1-CG1 4.42Å; F203-T229 HydrophobicContact CE1-CG2 3.89Å; F203-T229 HydrophobicContact CZ-CG2 3.7Å; F203-L230 HydrophobicContact CE2-CD2 4.16Å; F203-L230 HydrophobicContact CZ-CD2 3.96Å; F203-L230 HydrophobicContact CZ-CG 4.23Å; F203-V236 HydrophobicContact CE2-CG1 3.56Å; F203-V236 HydrophobicContact CZ-CG1 3.56Å; F203-Y239 AromaticContact CD2-CD1 3.82Å; F203-Y239 HydrophobicContact CD2-CD1 3.82Å; F203-Y239 HydrophobicContact CD2-CE1 4.13Å; F203-Y239 HydrophobicContact CE2-CD1 4.29Å; F203-F240 HydrophobicContact CB-CD2 3.99Å; F203-F240 HydrophobicContact CB-CE2 4.47Å; F203-F240 HydrophobicContact CD1-CD2 4.01Å; F203-F240 HydrophobicContact CD1-CE2 4.45Å; F203-F240 HydrophobicContact CD2-CB 3.83Å; F203-F240 AromaticContact CD2-CD2 3.63Å; F203-F240 HydrophobicContact CD2-CD2 3.63Å; F203-F240 HydrophobicContact CD2-CG 4.22Å; F203-F240 HydrophobicContact CE1-CD2 4.33Å; F203-F240 HydrophobicContact CE2-CB 3.68Å; F203-F240 AromaticContact CE2-CD2 3.96Å; F203-F240 HydrophobicContact CE2-CD2 3.96Å; F203-F240 HydrophobicContact CE2-CG 4.26Å; F203-F240 AromaticContact CG-CD2 3.64Å; F203-F240 HydrophobicContact CG-CD2 3.64Å; F203-F240 HydrophobicContact CG-CE2 4.35Å; F203-F240 HydrophobicContact CZ-CB 4.44Å; F203-F240 HydrophobicContact CZ-CD2 4.29Å; F203-V243 HydrophobicContact CB-CG2 4.1Å
204P95.7Very high94Very high67 Ų6738 Ų3844%0.43519%0.193SC..Hα-helixtrans-59.6-31.9177.5-26.136.4000113.8E208 V243P204-E208 PolarHBondContact O-N 3.3Å; P204-V243 HydrophobicContact CG-CG1 4.47Å
205H94Very high93.5Very high25 Ų2536.6 Ų36.612%0.11619%0.186CC..Hα-helixtrans-83.5-35177.1-171.357.8000112.3F153 L202 F203 N207 E208 W209F153-H205 AromaticContact CE1-CD2 3.92Å; L202-H205 PolarHBondContact O-N 2.79Å; F203-H205 PolarHBondContact O-N 3.2Å; H205-N207 VanDerWaalsContact C-N 3.32Å; H205-N207 PolarHBondContact O-N 2.92Å; H205-E208 IonicContact CE1-OE2 2.74Å; H205-E208 IonicContact ND1-OE2 2.67Å; H205-E208 PolarHBondContact ND1-OE2 3.14Å; H205-E208 WeakPolarHBondContact O-CB 3.4Å; H205-E208 PolarHBondContact O-N 2.88Å; H205-W209 AromaticContact CD2-CD1 3.79Å; H205-W209 AromaticContact CD2-NE1 3.77Å; H205-W209 AromaticContact CE1-CD1 3.75Å; H205-W209 AromaticContact CE1-NE1 3.37Å; H205-W209 PolarHBondContact CE1-NE1 3.39Å; H205-W209 AromaticContact NE2-CD1 3.47Å; H205-W209 AromaticContact NE2-NE1 2.99Å; H205-W209 PolarHBondContact NE2-NE1 3.26Å; H205-W209 PolarHBondContact O-N 2.94Å; H205-W209 VanDerWaalsContact O-N 3.09Å
206A94.9Very high93.1Very high0 Ų037.9 Ų37.90%019%0.194CC..Hα-helixtrans-59.5-43.9170.100000111.5F153 L202 F203 E208 W209 L210 I222 I226F153-A206 HydrophobicContact CZ-CB 4.25Å; L202-A206 PolarHBondContact O-N 3.2Å; F203-A206 PolarHBondContact O-N 2.92Å; A206-E208 VanDerWaalsContact C-N 3.34Å; A206-E208 PolarHBondContact O-N 3.36Å; A206-W209 PolarHBondContact O-N 3.02Å; A206-L210 WeakPolarHBondContact O-CG 3.36Å; A206-L210 PolarHBondContact O-N 3.38Å; A206-I222 HydrophobicContact CB-CG2 3.85Å; A206-I226 HydrophobicContact CB-CD1 4.07Å; A206-I226 HydrophobicContact CB-CG1 4.28Å
207N94.6Very high92.6Very high8 Ų841 Ų414%0.04321%0.208CC..Hα-helixtrans-64.3-35.8175.8-66.4-7.6000112.4F203 H205 K211 F240 G245 V248F203-N207 WeakPolarHBondContact O-CB 3.19Å; F203-N207 PolarHBondContact O-N 2.86Å; F203-N207 PolarHBondContact O-ND2 2.91Å; F203-N207 PolarHBondContact O-OD1 3.16Å; H205-N207 VanDerWaalsContact C-N 3.32Å; H205-N207 PolarHBondContact O-N 2.92Å; N207-K211 WeakPolarHBondContact O-CG 3.5Å; N207-K211 PolarHBondContact O-N 3.24Å; N207-K211 VanDerWaalsContact O-N 3.12Å; N207-F240 WeakPolarHBondContact OD1-CE2 3.49Å; N207-G245 WeakPolarHBondContact ND2-CA 3.5Å; N207-V248 HydrophobicContact CB-CG2 4.33Å
208E91.8Very high92.3Very high60 Ų6037.3 Ų37.328%0.2819%0.19SC..Hα-helixtrans-63.8-44.9174179.6174.9-142.400111.7K159 P204 H205 A206 K211 N212K159-E208 WeakPolarHBondContact CE-OE1 3.19Å; K159-E208 WeakPolarHBondContact CE-OE2 3.43Å; K159-E208 IonicContact NZ-OE1 3.6Å; K159-E208 PolarHBondContact NZ-OE1 3.1Å; K159-E208 IonicContact NZ-OE2 2.73Å; K159-E208 PolarHBondContact NZ-OE2 3.27Å; P204-E208 PolarHBondContact O-N 3.3Å; H205-E208 IonicContact CE1-OE2 2.74Å; H205-E208 IonicContact ND1-OE2 2.67Å; H205-E208 PolarHBondContact ND1-OE2 3.14Å; H205-E208 WeakPolarHBondContact O-CB 3.4Å; H205-E208 PolarHBondContact O-N 2.88Å; A206-E208 VanDerWaalsContact C-N 3.34Å; A206-E208 PolarHBondContact O-N 3.36Å; E208-K211 PolarHBondContact O-N 3.05Å; E208-N212 WeakPolarHBondContact O-CB 3.42Å; E208-N212 PolarHBondContact O-N 2.81Å; E208-N212 VanDerWaalsContact O-N 3.16Å; E208-N212 PolarHBondContact O-ND2 3.45Å
209W91.1Very high92.1Very high8 Ų834.1 Ų34.13%0.0318%0.176CC..Hα-helixtrans-63.3-43.6175.6-85.7108.9000113I157 S158 H205 A206 K211 N212 C213 I218 I222I157-W209 HydrophobicContact CB-CH2 3.97Å; I157-W209 HydrophobicContact CB-CZ2 3.9Å; I157-W209 HydrophobicContact CG2-CH2 3.66Å; I157-W209 HydrophobicContact CG2-CZ2 4.13Å; S158-W209 VanDerWaalsContact O-CH2 3.24Å; S158-W209 WeakPolarHBondContact O-CH2 3.36Å; H205-W209 AromaticContact CD2-CD1 3.79Å; H205-W209 AromaticContact CD2-NE1 3.77Å; H205-W209 AromaticContact CE1-CD1 3.75Å; H205-W209 AromaticContact CE1-NE1 3.37Å; H205-W209 PolarHBondContact CE1-NE1 3.39Å; H205-W209 AromaticContact NE2-CD1 3.47Å; H205-W209 AromaticContact NE2-NE1 2.99Å; H205-W209 PolarHBondContact NE2-NE1 3.26Å; H205-W209 PolarHBondContact O-N 2.94Å; H205-W209 VanDerWaalsContact O-N 3.09Å; A206-W209 PolarHBondContact O-N 3.02Å; W209-K211 VanDerWaalsContact C-N 3.32Å; W209-K211 PolarHBondContact O-N 3.43Å; W209-N212 PolarHBondContact O-N 3.26Å; W209-N212 VanDerWaalsContact O-N 3.16Å; W209-C213 HydrophobicContact CE3-CB 4.04Å; W209-C213 HydrophobicContact CZ3-CB 4.37Å; W209-C213 PolarHBondContact O-N 3.36Å; W209-I218 HydrophobicContact CB-CG2 4.21Å; W209-I218 HydrophobicContact CD2-CG2 4.25Å; W209-I218 HydrophobicContact CE3-CG2 3.77Å; W209-I218 HydrophobicContact CG-CG2 4.48Å; W209-I218 HydrophobicContact CZ3-CG2 4.47Å; W209-I222 HydrophobicContact CB-CD1 3.32Å; W209-I222 HydrophobicContact CG-CD1 3.92Å
210L92.5Very high91.9Very high0 Ų039.3 Ų39.30%020%0.196CC..Hα-helixtrans-61.2-37.8177.4-74.1173.8000112.7A206 I219 I222 I226 V248 L249 V252A206-L210 WeakPolarHBondContact O-CG 3.36Å; A206-L210 PolarHBondContact O-N 3.38Å; L210-I219 HydrophobicContact CD2-CG1 4.09Å; L210-I219 HydrophobicContact CD2-CG2 4.48Å; L210-I222 HydrophobicContact CD1-CG2 3.92Å; L210-I222 HydrophobicContact CD2-CB 4.44Å; L210-I222 HydrophobicContact CD2-CG2 3.99Å; L210-I222 HydrophobicContact CG-CG2 3.77Å; L210-I226 HydrophobicContact CD1-CD1 3.67Å; L210-V248 HydrophobicContact CB-CG1 3.59Å; L210-V248 HydrophobicContact CD1-CG1 4.24Å; L210-L249 HydrophobicContact CD1-CD2 3.75Å; L210-V252 HydrophobicContact CB-CG2 4.24Å; L210-V252 WeakPolarHBondContact O-CG2 3.34Å
211K90.2Very high91.7Very high125 Ų12539.7 Ų39.754%0.54320%0.198SC..Hα-helixtrans-66.7-37.2173.5-74180-178.3-174.50113.1N207 E208 W209 V248N207-K211 WeakPolarHBondContact O-CG 3.5Å; N207-K211 PolarHBondContact O-N 3.24Å; N207-K211 VanDerWaalsContact O-N 3.12Å; E208-K211 PolarHBondContact O-N 3.05Å; W209-K211 VanDerWaalsContact C-N 3.32Å; W209-K211 PolarHBondContact O-N 3.43Å; K211-V248 HydrophobicContact CD-CG2 4.25Å; K211-V248 HydrophobicContact CG-CG1 3.99Å; K211-V248 HydrophobicContact CG-CG2 4.03Å
212N87.7Confident91.7Very high93 Ų9337.3 Ų37.350%0.49718%0.182SC..Hα-helixtrans-101.1-11-165.3-64.3-18.4000114.3E208 W209E208-N212 WeakPolarHBondContact O-CB 3.42Å; E208-N212 PolarHBondContact O-N 2.81Å; E208-N212 VanDerWaalsContact O-N 3.16Å; E208-N212 PolarHBondContact O-ND2 3.45Å; W209-N212 PolarHBondContact O-N 3.26Å; W209-N212 VanDerWaalsContact O-N 3.16Å
213C86.9Confident91.6Very high17 Ų1737.4 Ų37.412%0.11518%0.182CC..  trans-145.7102.9-173.5-1610000113.7W209 K215 I218W209-C213 HydrophobicContact CE3-CB 4.04Å; W209-C213 HydrophobicContact CZ3-CB 4.37Å; W209-C213 PolarHBondContact O-N 3.36Å; C213-K215 PolarHBondContact O-N 3.31Å; C213-I218 HydrophobicContact CB-CB 4.46Å; C213-I218 HydrophobicContact CB-CG2 4.15Å
214M87.4Confident91.5Very high76 Ų7638.3 Ų38.337%0.37419%0.188SC..  trans-79.814.1176.2-61.5-60.917800114.5I219 V252 Q255M214-I219 HydrophobicContact SD-CD1 3.99Å; M214-V252 HydrophobicContact CE-CG2 4.08Å; M214-V252 HydrophobicContact SD-CG1 4.02Å; M214-V252 HydrophobicContact SD-CG2 4.42Å; M214-Q255 HydrophobicContact CE-CB 4.28Å; M214-Q255 HydrophobicContact CE-CG 4.27Å
215K86.9Confident91.5Very high86 Ų8635.1 Ų35.137%0.37417%0.168SC..  trans-74.5132.4-178.1-69.2-165.2177.5-162.40111.1L162 C213 E217 I218 I219L162-K215 HydrophobicContact CB-CD 4.44Å; L162-K215 HydrophobicContact CD2-CD 3.95Å; L162-K215 PolarHBondContact O-NZ 2.92Å; C213-K215 PolarHBondContact O-N 3.31Å; K215-E217 PolarHBondContact O-N 3.49Å; K215-E217 VanDerWaalsContact O-N 3.1Å; K215-I218 HydrophobicContact CB-CG1 4.45Å; K215-I218 PolarHBondContact O-N 3.46Å; K215-I219 PolarHBondContact O-N 3.27Å
216P88.6Confident91.6Very high26 Ų2633.9 Ų33.917%0.16916%0.162CC..Hα-helixtrans-53.3-33.1177.6-24.530.8000113.8I218 R220 L269P216-I218 VanDerWaalsContact C-N 3.26Å; P216-I218 PolarHBondContact O-N 3.41Å; P216-R220 WeakPolarHBondContact O-CB 3.44Å; P216-R220 VanDerWaalsContact O-CG 3.27Å; P216-R220 WeakPolarHBondContact O-CG 3.49Å; P216-R220 PolarHBondContact O-N 3.1Å; P216-L269 HydrophobicContact CB-CD1 4.28Å; P216-L269 HydrophobicContact CB-CD2 4.25Å; P216-L269 HydrophobicContact CG-CD2 4.11Å
217E86.3Confident91.6Very high66 Ų6634.6 Ų34.631%0.30817%0.169SC..Hα-helixtrans-67.7-23179.4-62.973.5-150.500113.2L164 Y173 K215 P221L164-E217 HydrophobicContact CD1-CB 4.36Å; L164-E217 HydrophobicContact CD1-CG 3.79Å; Y173-E217 HydrophobicContact CE2-CB 3.93Å; Y173-E217 WeakPolarHBondContact CE2-O 3.37Å; Y173-E217 PolarHBondContact OH-O 3.44Å; K215-E217 PolarHBondContact O-N 3.49Å; K215-E217 VanDerWaalsContact O-N 3.1Å; E217-P221 WeakPolarHBondContact O-CD 3.4Å; E217-P221 VanDerWaalsContact O-CG 3.28Å; E217-P221 WeakPolarHBondContact O-CG 3.35Å
218I89.5Confident91.6Very high0 Ų035.7 Ų35.70%018%0.175CC..Hα-helixtrans-101-44.1178.3-61.1-57.5000110.8I157 L162 Y173 W176 W209 C213 K215 P216 P221 I222I157-I218 HydrophobicContact CD1-CD1 4.17Å; L162-I218 HydrophobicContact CD1-CD1 4.26Å; L162-I218 HydrophobicContact CD2-CD1 3.9Å; L162-I218 HydrophobicContact CD2-CG1 3.83Å; Y173-I218 HydrophobicContact CD2-CD1 4.43Å; Y173-I218 HydrophobicContact CE2-CD1 4.49Å; W176-I218 HydrophobicContact CE3-CD1 4.35Å; W176-I218 HydrophobicContact CH2-CD1 3.9Å; W176-I218 HydrophobicContact CH2-CG2 4.32Å; W176-I218 HydrophobicContact CZ3-CD1 3.7Å; W209-I218 HydrophobicContact CB-CG2 4.21Å; W209-I218 HydrophobicContact CD2-CG2 4.25Å; W209-I218 HydrophobicContact CE3-CG2 3.77Å; W209-I218 HydrophobicContact CG-CG2 4.48Å; W209-I218 HydrophobicContact CZ3-CG2 4.47Å; C213-I218 HydrophobicContact CB-CB 4.46Å; C213-I218 HydrophobicContact CB-CG2 4.15Å; K215-I218 HydrophobicContact CB-CG1 4.45Å; K215-I218 PolarHBondContact O-N 3.46Å; P216-I218 VanDerWaalsContact C-N 3.26Å; P216-I218 PolarHBondContact O-N 3.41Å; I218-P221 WeakPolarHBondContact O-CD 3.45Å; I218-I222 HydrophobicContact CG2-CD1 3.7Å; I218-I222 WeakPolarHBondContact O-CB 3.44Å; I218-I222 WeakPolarHBondContact O-CD1 3.43Å; I218-I222 WeakPolarHBondContact O-CG1 3.42Å; I218-I222 PolarHBondContact O-N 3.19Å
219I91.4Very high91.8Very high0 Ų032.9 Ų32.90%016%0.161CC..Hα-helixtrans-62.9-46.9179.2-70.3-175.1000111.1L210 M214 K215 I222 C223 V252 L256 L269 V273L210-I219 HydrophobicContact CD2-CG1 4.09Å; L210-I219 HydrophobicContact CD2-CG2 4.48Å; M214-I219 HydrophobicContact SD-CD1 3.99Å; K215-I219 PolarHBondContact O-N 3.27Å; I219-I222 PolarHBondContact O-N 2.91Å; I219-C223 VanDerWaalsContact O-CB 3.27Å; I219-C223 WeakPolarHBondContact O-CB 3.44Å; I219-C223 PolarHBondContact O-N 3.37Å; I219-C223 PolarHBondContact O-SG 3.39Å; I219-C223 VanDerWaalsContact O-SG 3.38Å; I219-V252 HydrophobicContact CD1-CG1 3.87Å; I219-L256 HydrophobicContact CD1-CD1 4.25Å; I219-L269 HydrophobicContact CB-CD1 4.04Å; I219-L269 HydrophobicContact CB-CD2 4.22Å; I219-L269 HydrophobicContact CB-CG 4.38Å; I219-L269 HydrophobicContact CD1-CD2 3.97Å; I219-L269 HydrophobicContact CG2-CD1 3.7Å; I219-L269 HydrophobicContact CG2-CD2 4.3Å; I219-L269 HydrophobicContact CG2-CG 3.96Å; I219-V273 HydrophobicContact CG2-CG2 3.81Å
220R93.3Very high91.9Very high109 Ų10932.5 Ų32.541%0.41116%0.16SC..Hα-helixtrans-62.2-48.4-174.5-67.2173.8-178.8157.83.3113.7P216 I222 S224 L269 V272P216-R220 WeakPolarHBondContact O-CB 3.44Å; P216-R220 VanDerWaalsContact O-CG 3.27Å; P216-R220 WeakPolarHBondContact O-CG 3.49Å; P216-R220 PolarHBondContact O-N 3.1Å; R220-I222 VanDerWaalsContact C-N 3.33Å; R220-I222 PolarHBondContact O-N 3.13Å; R220-S224 WeakPolarHBondContact O-CB 3.31Å; R220-S224 PolarHBondContact O-N 3.17Å; R220-S224 PolarHBondContact O-OG 3.37Å; R220-L269 HydrophobicContact CG-CD1 3.64Å; R220-V272 HydrophobicContact CG-CG1 4.36Å
221P92.6Very high91.7Very high17 Ų1733.5 Ų33.511%0.1117%0.168CC..Hα-helixtrans-64.9-34.7176.8-24.336.8000113.1W176 C180 E217 I218 F225W176-P221 HydrophobicContact CH2-CB 4.3Å; W176-P221 HydrophobicContact CZ3-CB 4.07Å; W176-P221 HydrophobicContact CZ3-CG 4.12Å; C180-P221 HydrophobicContact CB-CB 3.9Å; E217-P221 WeakPolarHBondContact O-CD 3.4Å; E217-P221 VanDerWaalsContact O-CG 3.28Å; E217-P221 WeakPolarHBondContact O-CG 3.35Å; I218-P221 WeakPolarHBondContact O-CD 3.45Å; P221-F225 WeakPolarHBondContact O-CB 3.37Å; P221-F225 PolarHBondContact O-N 3.18Å
222I95.2Very high91.5Very high0 Ų032.8 Ų32.80%017%0.17CC..Hα-helixtrans-72.6-45179.4-69.1173.9000111.6W176 A206 W209 L210 I218 I219 R220 S224 F225 I226W176-I222 HydrophobicContact CH2-CD1 3.99Å; W176-I222 HydrophobicContact CH2-CG1 3.85Å; W176-I222 HydrophobicContact CZ2-CD1 4.06Å; W176-I222 HydrophobicContact CZ2-CG1 4.03Å; A206-I222 HydrophobicContact CB-CG2 3.85Å; W209-I222 HydrophobicContact CB-CD1 3.32Å; W209-I222 HydrophobicContact CG-CD1 3.92Å; L210-I222 HydrophobicContact CD1-CG2 3.92Å; L210-I222 HydrophobicContact CD2-CB 4.44Å; L210-I222 HydrophobicContact CD2-CG2 3.99Å; L210-I222 HydrophobicContact CG-CG2 3.77Å; I218-I222 HydrophobicContact CG2-CD1 3.7Å; I218-I222 WeakPolarHBondContact O-CB 3.44Å; I218-I222 WeakPolarHBondContact O-CD1 3.43Å; I218-I222 WeakPolarHBondContact O-CG1 3.42Å; I218-I222 PolarHBondContact O-N 3.19Å; I219-I222 PolarHBondContact O-N 2.91Å; R220-I222 VanDerWaalsContact C-N 3.33Å; R220-I222 PolarHBondContact O-N 3.13Å; I222-S224 VanDerWaalsContact C-N 3.31Å; I222-S224 PolarHBondContact O-N 2.98Å; I222-F225 PolarHBondContact O-N 3.2Å; I222-I226 HydrophobicContact CG2-CD1 3.58Å; I222-I226 HydrophobicContact CG2-CG1 4.2Å; I222-I226 WeakPolarHBondContact O-CB 2.81Å; I222-I226 WeakPolarHBondContact O-CG1 3.39Å; I222-I226 PolarHBondContact O-N 2.99Å
223C95.8Very high91.6Very high2 Ų229.1 Ų29.11%0.01415%0.151CC..Hα-helixtrans-56.6-45.3172.6-78.60000111.6I219 F225 I226 G227 V272 T276I219-C223 VanDerWaalsContact O-CB 3.27Å; I219-C223 WeakPolarHBondContact O-CB 3.44Å; I219-C223 PolarHBondContact O-N 3.37Å; I219-C223 PolarHBondContact O-SG 3.39Å; I219-C223 VanDerWaalsContact O-SG 3.38Å; C223-F225 PolarHBondContact O-N 3.03Å; C223-I226 PolarHBondContact O-N 3.21Å; C223-G227 PolarHBondContact O-N 2.94Å; C223-V272 HydrophobicContact CB-CG1 3.67Å; C223-T276 HydrophobicContact CB-CG2 4.41Å; C223-T276 WeakPolarHBondContact CB-OG1 3.39Å; C223-T276 PolarHBondContact SG-OG1 2.58Å
224S94.2Very high91.8Very high19 Ų1931.3 Ų31.313%0.13316%0.164CC..Hα-helixtrans-61.5-44.2175.5-55.90000112R220 I222 L228R220-S224 WeakPolarHBondContact O-CB 3.31Å; R220-S224 PolarHBondContact O-N 3.17Å; R220-S224 PolarHBondContact O-OG 3.37Å; I222-S224 VanDerWaalsContact C-N 3.31Å; I222-S224 PolarHBondContact O-N 2.98Å; S224-L228 VanDerWaalsContact O-CB 3.31Å; S224-L228 WeakPolarHBondContact O-CB 3.37Å; S224-L228 WeakPolarHBondContact O-CG 3.37Å; S224-L228 PolarHBondContact O-N 3.35Å; S224-L228 VanDerWaalsContact O-N 3.07Å
225F96.3Very high92.1Very high0 Ų034.4 Ų34.40%017%0.173CC..Hα-helixtrans-64-46.3177.2170.1-102.4000112.5F153 L183 C184 C199 L202 F203 P221 I222 C223 T229F153-F225 HydrophobicContact CE2-CD1 4.38Å; F153-F225 HydrophobicContact CZ-CD1 4.24Å; F153-F225 HydrophobicContact CZ-CE1 4.44Å; L183-F225 HydrophobicContact CB-CD2 3.97Å; L183-F225 HydrophobicContact CB-CE2 3.96Å; C184-F225 WeakPolarHBondContact SG-CA 3.24Å; C199-F225 HydrophobicContact CB-CE2 3.99Å; C199-F225 HydrophobicContact CB-CZ 3.96Å; L202-F225 HydrophobicContact CB-CE1 3.8Å; L202-F225 HydrophobicContact CB-CZ 3.8Å; L202-F225 HydrophobicContact CD1-CE1 4.27Å; L202-F225 HydrophobicContact CD1-CE2 4.14Å; L202-F225 HydrophobicContact CD1-CZ 3.64Å; L202-F225 HydrophobicContact CG-CZ 4.21Å; F203-F225 HydrophobicContact CD1-CE1 4.22Å; F203-F225 HydrophobicContact CE1-CE1 4.29Å; P221-F225 WeakPolarHBondContact O-CB 3.37Å; P221-F225 PolarHBondContact O-N 3.18Å; I222-F225 PolarHBondContact O-N 3.2Å; C223-F225 PolarHBondContact O-N 3.03Å; F225-T229 WeakPolarHBondContact CE2-OG1 3.5Å; F225-T229 VanDerWaalsContact O-CB 3.28Å; F225-T229 WeakPolarHBondContact O-CB 3.35Å; F225-T229 PolarHBondContact O-N 2.89Å; F225-T229 PolarHBondContact O-OG1 3.34Å
226I97.1Very high92.5Very high0 Ų030.3 Ų30.30%016%0.155CC..Hα-helixtrans-61.5-57.5177.9-70.6169.6000109.5F203 A206 L210 I222 C223 L228 T229 L230 F240 T276F203-I226 HydrophobicContact CD1-CG1 4.36Å; F203-I226 HydrophobicContact CE1-CG1 4.42Å; A206-I226 HydrophobicContact CB-CD1 4.07Å; A206-I226 HydrophobicContact CB-CG1 4.28Å; L210-I226 HydrophobicContact CD1-CD1 3.67Å; I222-I226 HydrophobicContact CG2-CD1 3.58Å; I222-I226 HydrophobicContact CG2-CG1 4.2Å; I222-I226 WeakPolarHBondContact O-CB 2.81Å; I222-I226 WeakPolarHBondContact O-CG1 3.39Å; I222-I226 PolarHBondContact O-N 2.99Å; C223-I226 PolarHBondContact O-N 3.21Å; I226-L228 PolarHBondContact O-N 3.03Å; I226-T229 PolarHBondContact O-N 3.31Å; I226-T229 VanDerWaalsContact O-N 3.09Å; I226-L230 HydrophobicContact CG2-CD1 3.43Å; I226-L230 VanDerWaalsContact CG2-CD1 3.43Å; I226-L230 HydrophobicContact CG2-CG 4.23Å; I226-L230 WeakPolarHBondContact O-CG 3.49Å; I226-L230 PolarHBondContact O-N 3.22Å; I226-F240 HydrophobicContact CD1-CE2 3.93Å; I226-F240 HydrophobicContact CD1-CZ 4.14Å; I226-F240 HydrophobicContact CG1-CE2 4.2Å; I226-F240 HydrophobicContact CG2-CD2 4.28Å; I226-F240 HydrophobicContact CG2-CE1 4.28Å; I226-F240 HydrophobicContact CG2-CE2 3.75Å; I226-F240 HydrophobicContact CG2-CZ 3.75Å; I226-T276 HydrophobicContact CB-CG2 3.88Å; I226-T276 HydrophobicContact CG2-CG2 3.57Å
227G94.9Very high92.8Very high14 Ų1429.2 Ų29.214%0.14415%0.147CC..Hα-helixtrans-56.8-44.5-177.100000113.5C223 T229 L230 A231C223-G227 PolarHBondContact O-N 2.94Å; G227-T229 PolarHBondContact O-N 2.98Å; G227-L230 PolarHBondContact O-N 2.93Å; G227-A231 PolarHBondContact O-N 2.77Å
228L93.4Very high93.1Very high32 Ų3231.4 Ų31.417%0.16816%0.156CC..Hα-helixtrans-72.1-27.3178.7-69.4172.1000113.4C184 V187 N188 Q196 S224 I226C184-L228 HydrophobicContact CB-CD1 3.66Å; V187-L228 HydrophobicContact CG2-CB 4.39Å; N188-L228 HydrophobicContact CB-CB 4.13Å; N188-L228 HydrophobicContact CB-CD2 4.24Å; N188-L228 WeakPolarHBondContact CB-O 3.27Å; N188-L228 PolarHBondContact ND2-O 2.91Å; Q196-L228 PolarHBondContact NE2-O 3.45Å; S224-L228 VanDerWaalsContact O-CB 3.31Å; S224-L228 WeakPolarHBondContact O-CB 3.37Å; S224-L228 WeakPolarHBondContact O-CG 3.37Å; S224-L228 PolarHBondContact O-N 3.35Å; S224-L228 VanDerWaalsContact O-N 3.07Å; I226-L228 PolarHBondContact O-N 3.03Å
229T96Very high93.5Very high0 Ų034.9 Ų34.90%017%0.169CC..Hα-helixtrans-75.1-30.8173.1-52.30000111.5Q196 C199 F203 F225 I226 G227 V236Q196-T229 HydrophobicContact CB-CG2 4.33Å; Q196-T229 WeakPolarHBondContact CB-O 3.36Å; Q196-T229 WeakPolarHBondContact CG-O 3.37Å; Q196-T229 PolarHBondContact NE2-O 3.43Å; Q196-T229 WeakPolarHBondContact O-CG2 3.24Å; C199-T229 HydrophobicContact CB-CG2 3.92Å; F203-T229 HydrophobicContact CE1-CG2 3.89Å; F203-T229 HydrophobicContact CZ-CG2 3.7Å; F225-T229 WeakPolarHBondContact CE2-OG1 3.5Å; F225-T229 VanDerWaalsContact O-CB 3.28Å; F225-T229 WeakPolarHBondContact O-CB 3.35Å; F225-T229 PolarHBondContact O-N 2.89Å; F225-T229 PolarHBondContact O-OG1 3.34Å; I226-T229 PolarHBondContact O-N 3.31Å; I226-T229 VanDerWaalsContact O-N 3.09Å; G227-T229 PolarHBondContact O-N 2.98Å; T229-V236 HydrophobicContact CG2-CG1 4.01Å; T229-V236 WeakPolarHBondContact O-CG1 3.3Å
230L93.3Very high93.7Very high0 Ų034.9 Ų34.90%017%0.169CC..Hα-helixtrans-81.1-32.3179.3-66.2166.6000114.3F203 I226 G227 N232 N233 V236 Q237 F240 C280F203-L230 HydrophobicContact CE2-CD2 4.16Å; F203-L230 HydrophobicContact CZ-CD2 3.96Å; F203-L230 HydrophobicContact CZ-CG 4.23Å; I226-L230 HydrophobicContact CG2-CD1 3.43Å; I226-L230 VanDerWaalsContact CG2-CD1 3.43Å; I226-L230 HydrophobicContact CG2-CG 4.23Å; I226-L230 WeakPolarHBondContact O-CG 3.49Å; I226-L230 PolarHBondContact O-N 3.22Å; G227-L230 PolarHBondContact O-N 2.93Å; L230-N232 PolarHBondContact O-N 2.85Å; L230-N233 PolarHBondContact O-N 2.98Å; L230-V236 HydrophobicContact CD2-CG1 4.11Å; L230-Q237 HydrophobicContact CB-CG 4.08Å; L230-Q237 HydrophobicContact CD2-CB 4.34Å; L230-Q237 HydrophobicContact CD2-CG 3.99Å; L230-F240 HydrophobicContact CD1-CD1 4.29Å; L230-F240 HydrophobicContact CD1-CG 4.46Å; L230-F240 HydrophobicContact CD2-CB 3.57Å; L230-F240 HydrophobicContact CD2-CD1 4.41Å; L230-F240 HydrophobicContact CD2-CG 4.02Å; L230-C280 HydrophobicContact CD1-CB 4.38Å; L230-C280 WeakPolarHBondContact CD1-SG 3.24Å
231A88.4Confident93.8Very high21 Ų2131 Ų3117%0.17416%0.158CC..THydrogen-bonded Turntrans-49.3125.6-168.400000113.4N188 Q196 G227 N233N188-A231 WeakPolarHBondContact ND2-CB 3.28Å; Q196-A231 PolarHBondContact NE2-O 3.46Å; G227-A231 PolarHBondContact O-N 2.77Å; A231-N233 PolarHBondContact O-N 3.35Å
232N85.7Confident93.9Very high110 Ų11034.4 Ų34.459%0.58818%0.182SC*.THydrogen-bonded Turntrans55.723.6-179.4-48.2-29.1000114.8Q191 L230Q191-N232 PolarHBondContact OE1-ND2 3.41Å; L230-N232 PolarHBondContact O-N 2.85Å
233N90.4Very high93.9Very high16 Ų1636.7 Ų36.79%0.08620%0.196CC..  trans-129.786.2-174.9-166.7-34.9000112.7Q196 L230 A231 Y235 V236 Q237Q196-N233 PolarHBondContact OE1-ND2 3.46Å; L230-N233 PolarHBondContact O-N 2.98Å; A231-N233 PolarHBondContact O-N 3.35Å; N233-Y235 PolarHBondContact O-N 3.38Å; N233-Y235 VanDerWaalsContact O-N 3.12Å; N233-Y235 PolarHBondContact OD1-N 2.84Å; N233-V236 HydrophobicContact CB-CB 4.15Å; N233-V236 HydrophobicContact CB-CG2 4.38Å; N233-V236 PolarHBondContact O-N 2.61Å; N233-V236 WeakPolarHBondContact OD1-CG2 3.31Å; N233-V236 PolarHBondContact OD1-N 3.02Å; N233-V236 VanDerWaalsContact OD1-N 3.15Å; N233-Q237 WeakPolarHBondContact O-CG 3.32Å; N233-Q237 PolarHBondContact O-N 2.66Å
234T91.8Very high93.9Very high64 Ų6437.7 Ų37.739%0.39321%0.207SC..Hα-helixtrans-51.8-32.8179-52.10000114.5Q237 K238T234-Q237 VanDerWaalsContact CA-OE1 3.27Å; T234-K238 HydrophobicContact CG2-CD 4.05Å; T234-K238 WeakPolarHBondContact O-CB 3.5Å; T234-K238 WeakPolarHBondContact O-CD 3.08Å; T234-K238 WeakPolarHBondContact O-CG 3.17Å; T234-K238 PolarHBondContact O-N 3.28Å; T234-K238 VanDerWaalsContact O-N 3.09Å
235Y93.2Very high94.1Very high141 Ų14136.8 Ų36.855%0.55320%0.2SC*.Hα-helixtrans-70-47.9176.3179.6-78.3000110.6M197 N233 Q237 K238 Y239M197-Y235 HydrophobicContact CE-CD1 3.59Å; M197-Y235 HydrophobicContact CE-CE1 3.43Å; M197-Y235 VanDerWaalsContact CE-CE1 3.43Å; M197-Y235 HydrophobicContact CE-CE2 4.41Å; M197-Y235 HydrophobicContact CE-CG 4.17Å; M197-Y235 HydrophobicContact SD-CD1 3.2Å; M197-Y235 WeakPolarHBondContact SD-CD1 3.41Å; M197-Y235 HydrophobicContact SD-CE1 3.67Å; M197-Y235 HydrophobicContact SD-CG 3.82Å; N233-Y235 PolarHBondContact O-N 3.38Å; N233-Y235 VanDerWaalsContact O-N 3.12Å; N233-Y235 PolarHBondContact OD1-N 2.84Å; Y235-Q237 VanDerWaalsContact C-N 3.34Å; Y235-Q237 PolarHBondContact O-N 3.26Å; Y235-K238 PolarHBondContact O-N 3.07Å; Y235-Y239 PolarHBondContact O-N 3.25Å
236V95.3Very high94Very high0 Ų036.8 Ų36.80%020%0.2CC..Hα-helixtrans-68.8-35-177.6176.90000111Q196 M197 C200 F203 T229 L230 N233 Y239 F240Q196-V236 HydrophobicContact CB-CG2 4.28Å; M197-V236 HydrophobicContact CG-CG2 4.4Å; M197-V236 HydrophobicContact SD-CG2 3.86Å; C200-V236 HydrophobicContact CB-CG1 3.78Å; C200-V236 HydrophobicContact CB-CG2 4.33Å; F203-V236 HydrophobicContact CE2-CG1 3.56Å; F203-V236 HydrophobicContact CZ-CG1 3.56Å; T229-V236 HydrophobicContact CG2-CG1 4.01Å; T229-V236 WeakPolarHBondContact O-CG1 3.3Å; L230-V236 HydrophobicContact CD2-CG1 4.11Å; N233-V236 HydrophobicContact CB-CB 4.15Å; N233-V236 HydrophobicContact CB-CG2 4.38Å; N233-V236 PolarHBondContact O-N 2.61Å; N233-V236 WeakPolarHBondContact OD1-CG2 3.31Å; N233-V236 PolarHBondContact OD1-N 3.02Å; N233-V236 VanDerWaalsContact OD1-N 3.15Å; V236-Y239 PolarHBondContact O-N 2.94Å; V236-F240 PolarHBondContact O-N 3.41Å
237Q94.1Very high94Very high3 Ų338.4 Ų38.41%0.01421%0.209CC..Hα-helixtrans-59-52168.5-69.1168.9-49.300111.8L230 N233 T234 Y235 Y239 F240 V241 A279 A282 N284 F287L230-Q237 HydrophobicContact CB-CG 4.08Å; L230-Q237 HydrophobicContact CD2-CB 4.34Å; L230-Q237 HydrophobicContact CD2-CG 3.99Å; N233-Q237 WeakPolarHBondContact O-CG 3.32Å; N233-Q237 PolarHBondContact O-N 2.66Å; T234-Q237 VanDerWaalsContact CA-OE1 3.27Å; Y235-Q237 VanDerWaalsContact C-N 3.34Å; Y235-Q237 PolarHBondContact O-N 3.26Å; Q237-Y239 VanDerWaalsContact C-N 3.29Å; Q237-Y239 PolarHBondContact O-N 3.29Å; Q237-F240 PolarHBondContact O-N 3.18Å; Q237-V241 WeakPolarHBondContact O-CG2 3.42Å; Q237-V241 PolarHBondContact O-N 3.49Å; Q237-V241 VanDerWaalsContact O-N 3.07Å; Q237-A279 PolarHBondContact NE2-O 3.01Å; Q237-A282 PolarHBondContact NE2-O 2.93Å; Q237-A282 VanDerWaalsContact NE2-O 3.13Å; Q237-N284 PolarHBondContact OE1-ND2 3.09Å; Q237-F287 HydrophobicContact CB-CE2 4.16Å
238K94.2Very high94.1Very high112 Ų11237.9 Ų37.949%0.48720%0.203SC..Hα-helixtrans-57.6-40.3175.8-75.5168.8-176.1173.50112.4T234 Y235 S242 F287T234-K238 HydrophobicContact CG2-CD 4.05Å; T234-K238 WeakPolarHBondContact O-CB 3.5Å; T234-K238 WeakPolarHBondContact O-CD 3.08Å; T234-K238 WeakPolarHBondContact O-CG 3.17Å; T234-K238 PolarHBondContact O-N 3.28Å; T234-K238 VanDerWaalsContact O-N 3.09Å; Y235-K238 PolarHBondContact O-N 3.07Å; K238-S242 WeakPolarHBondContact O-CB 3.47Å; K238-S242 PolarHBondContact O-N 3.2Å; K238-F287 HydrophobicContact CG-CE1 4.38Å; K238-F287 HydrophobicContact CG-CZ 3.66Å
239Y96.1Very high94.3Very high72 Ų7236.4 Ų36.428%0.28220%0.195SC..Hα-helixtrans-66.4-43.6176.7-178.5-103.9000112.5C200 F203 Y235 V236 Q237 V241 S242 V243C200-Y239 HydrophobicContact CB-CD1 3.87Å; C200-Y239 HydrophobicContact CB-CE1 4.27Å; C200-Y239 WeakPolarHBondContact O-CE1 3.44Å; F203-Y239 AromaticContact CD2-CD1 3.82Å; F203-Y239 HydrophobicContact CD2-CD1 3.82Å; F203-Y239 HydrophobicContact CD2-CE1 4.13Å; F203-Y239 HydrophobicContact CE2-CD1 4.29Å; Y235-Y239 PolarHBondContact O-N 3.25Å; V236-Y239 PolarHBondContact O-N 2.94Å; Q237-Y239 VanDerWaalsContact C-N 3.29Å; Q237-Y239 PolarHBondContact O-N 3.29Å; Y239-V241 PolarHBondContact O-N 2.86Å; Y239-S242 WeakPolarHBondContact CA-OG 3.36Å; Y239-S242 PolarHBondContact O-N 3.16Å; Y239-S242 VanDerWaalsContact O-N 3.13Å; Y239-S242 PolarHBondContact O-OG 2.94Å; Y239-V243 HydrophobicContact CE1-CG1 4.07Å; Y239-V243 HydrophobicContact CE2-CG1 3.93Å; Y239-V243 PolarHBondContact O-N 3.43Å; Y239-V243 VanDerWaalsContact O-N 3.08Å
240F96.8Very high94.3Very high0 Ų036.4 Ų36.40%020%0.195CC..Hα-helixtrans-60.2-42.8177-177.1-104.9000113F203 N207 I226 L230 V236 Q237 V243 G245 L249 C280F203-F240 HydrophobicContact CB-CD2 3.99Å; F203-F240 HydrophobicContact CB-CE2 4.47Å; F203-F240 HydrophobicContact CD1-CD2 4.01Å; F203-F240 HydrophobicContact CD1-CE2 4.45Å; F203-F240 HydrophobicContact CD2-CB 3.83Å; F203-F240 AromaticContact CD2-CD2 3.63Å; F203-F240 HydrophobicContact CD2-CD2 3.63Å; F203-F240 HydrophobicContact CD2-CG 4.22Å; F203-F240 HydrophobicContact CE1-CD2 4.33Å; F203-F240 HydrophobicContact CE2-CB 3.68Å; F203-F240 AromaticContact CE2-CD2 3.96Å; F203-F240 HydrophobicContact CE2-CD2 3.96Å; F203-F240 HydrophobicContact CE2-CG 4.26Å; F203-F240 AromaticContact CG-CD2 3.64Å; F203-F240 HydrophobicContact CG-CD2 3.64Å; F203-F240 HydrophobicContact CG-CE2 4.35Å; F203-F240 HydrophobicContact CZ-CB 4.44Å; F203-F240 HydrophobicContact CZ-CD2 4.29Å; N207-F240 WeakPolarHBondContact OD1-CE2 3.49Å; I226-F240 HydrophobicContact CD1-CE2 3.93Å; I226-F240 HydrophobicContact CD1-CZ 4.14Å; I226-F240 HydrophobicContact CG1-CE2 4.2Å; I226-F240 HydrophobicContact CG2-CD2 4.28Å; I226-F240 HydrophobicContact CG2-CE1 4.28Å; I226-F240 HydrophobicContact CG2-CE2 3.75Å; I226-F240 HydrophobicContact CG2-CZ 3.75Å; L230-F240 HydrophobicContact CD1-CD1 4.29Å; L230-F240 HydrophobicContact CD1-CG 4.46Å; L230-F240 HydrophobicContact CD2-CB 3.57Å; L230-F240 HydrophobicContact CD2-CD1 4.41Å; L230-F240 HydrophobicContact CD2-CG 4.02Å; V236-F240 PolarHBondContact O-N 3.41Å; Q237-F240 PolarHBondContact O-N 3.18Å; F240-V243 VanDerWaalsContact O-CG2 3.3Å; F240-V243 WeakPolarHBondContact O-CG2 3.35Å; F240-V243 PolarHBondContact O-N 3.03Å; F240-G245 VanDerWaalsContact CZ-C 3.4Å; F240-G245 VanDerWaalsContact CZ-CA 3.41Å; F240-G245 WeakPolarHBondContact CZ-O 3.5Å; F240-G245 WeakPolarHBondContact O-CA 3.2Å; F240-G245 PolarHBondContact O-N 3.24Å; F240-L249 HydrophobicContact CE1-CD1 3.64Å; F240-L249 HydrophobicContact CE1-CG 4.33Å; F240-L249 HydrophobicContact CZ-CD1 3.75Å; F240-L249 HydrophobicContact CZ-CG 4.1Å; F240-C280 VanDerWaalsContact CD1-SG 3.59Å; F240-C280 WeakPolarHBondContact CE1-SG 3.13Å
241V94.6Very high94.5Very high28 Ų2840.6 Ų40.617%0.1722%0.215CC..Hα-helixtrans-63.3-43.5173.2178.70000110.5Q237 Y239 V243 G244 L246 F287Q237-V241 WeakPolarHBondContact O-CG2 3.42Å; Q237-V241 PolarHBondContact O-N 3.49Å; Q237-V241 VanDerWaalsContact O-N 3.07Å; Y239-V241 PolarHBondContact O-N 2.86Å; V241-V243 VanDerWaalsContact C-N 3.28Å; V241-V243 PolarHBondContact O-N 2.9Å; V241-G244 WeakPolarHBondContact O-CA 3.38Å; V241-G244 PolarHBondContact O-N 3.29Å; V241-L246 HydrophobicContact CG2-CB 4.24Å; V241-L246 HydrophobicContact CG2-CD2 4.09Å; V241-F287 HydrophobicContact CB-CE1 4.43Å; V241-F287 HydrophobicContact CG1-CD1 4.27Å; V241-F287 HydrophobicContact CG1-CE1 4.42Å; V241-F287 HydrophobicContact CG2-CD1 4.06Å; V241-F287 HydrophobicContact CG2-CD2 4.03Å; V241-F287 HydrophobicContact CG2-CE1 4.13Å; V241-F287 HydrophobicContact CG2-CE2 4.09Å; V241-F287 HydrophobicContact CG2-CG 4.03Å; V241-F287 HydrophobicContact CG2-CZ 4.15Å
242S95.2Very high94.9Very high89 Ų8939.7 Ų39.762%0.62221%0.207SC*.Hα-helixtrans-65.2-24.6-179.4770000115K238 Y239 G244K238-S242 WeakPolarHBondContact O-CB 3.47Å; K238-S242 PolarHBondContact O-N 3.2Å; Y239-S242 WeakPolarHBondContact CA-OG 3.36Å; Y239-S242 PolarHBondContact O-N 3.16Å; Y239-S242 VanDerWaalsContact O-N 3.13Å; Y239-S242 PolarHBondContact O-OG 2.94Å; S242-G244 VanDerWaalsContact C-N 3.28Å
243V96.3Very high95.4Very high48 Ų4834.5 Ų34.529%0.29118%0.179SC..THydrogen-bonded Turntrans-90.315.5171.4-580000113.1F203 P204 Y239 F240 V241 G245F203-V243 HydrophobicContact CB-CG2 4.1Å; P204-V243 HydrophobicContact CG-CG1 4.47Å; Y239-V243 HydrophobicContact CE1-CG1 4.07Å; Y239-V243 HydrophobicContact CE2-CG1 3.93Å; Y239-V243 PolarHBondContact O-N 3.43Å; Y239-V243 VanDerWaalsContact O-N 3.08Å; F240-V243 VanDerWaalsContact O-CG2 3.3Å; F240-V243 WeakPolarHBondContact O-CG2 3.35Å; F240-V243 PolarHBondContact O-N 3.03Å; V241-V243 VanDerWaalsContact C-N 3.28Å; V241-V243 PolarHBondContact O-N 2.9Å; V243-G245 VanDerWaalsContact C-N 3.28Å; V243-G245 PolarHBondContact O-N 3.06Å
244G95.4Very high95.7Very high23 Ų2335.7 Ų35.724%0.23719%0.187CC..THydrogen-bonded Turntrans68.121.5178.900000114.3V241 S242 L246 V248V241-G244 WeakPolarHBondContact O-CA 3.38Å; V241-G244 PolarHBondContact O-N 3.29Å; S242-G244 VanDerWaalsContact C-N 3.28Å; G244-L246 VanDerWaalsContact C-N 3.35Å; G244-L246 PolarHBondContact O-N 3.02Å; G244-V248 WeakPolarHBondContact O-CG2 3.5Å; G244-V248 PolarHBondContact O-N 3.12Å
245G96.8Very high95.9Very high0 Ų037 Ų370%019%0.189CC..Hα-helixtrans-66.9-34.4-177.500000113.5N207 F240 V243 V248 L249N207-G245 WeakPolarHBondContact ND2-CA 3.5Å; F240-G245 VanDerWaalsContact CZ-C 3.4Å; F240-G245 VanDerWaalsContact CZ-CA 3.41Å; F240-G245 WeakPolarHBondContact CZ-O 3.5Å; F240-G245 WeakPolarHBondContact O-CA 3.2Å; F240-G245 PolarHBondContact O-N 3.24Å; V243-G245 VanDerWaalsContact C-N 3.28Å; V243-G245 PolarHBondContact O-N 3.06Å; G245-V248 WeakPolarHBondContact O-CB 3.49Å; G245-V248 PolarHBondContact O-N 3.37Å; G245-L249 PolarHBondContact O-N 2.56Å
246L95.8Very high95.9Very high0 Ų030.4 Ų30.40%016%0.163CC..Hα-helixtrans-70.1-39.6179-167.357.4000111.9V241 G244 V248 L249 S250 V277 C280 I281 F287 V290 L291V241-L246 HydrophobicContact CG2-CB 4.24Å; V241-L246 HydrophobicContact CG2-CD2 4.09Å; G244-L246 VanDerWaalsContact C-N 3.35Å; G244-L246 PolarHBondContact O-N 3.02Å; L246-V248 PolarHBondContact O-N 3.45Å; L246-L249 PolarHBondContact O-N 2.96Å; L246-S250 WeakPolarHBondContact O-CB 3.49Å; L246-S250 PolarHBondContact O-N 3.42Å; L246-S250 PolarHBondContact O-OG 3.27Å; L246-V277 HydrophobicContact CD1-CG1 4.26Å; L246-C280 HydrophobicContact CD1-CB 3.78Å; L246-I281 HydrophobicContact CD1-CG2 4.44Å; L246-I281 HydrophobicContact CD2-CG2 4.16Å; L246-F287 HydrophobicContact CD2-CB 3.98Å; L246-V290 HydrophobicContact CB-CG1 4.24Å; L246-V290 HydrophobicContact CD2-CB 3.89Å; L246-V290 HydrophobicContact CD2-CG1 4.05Å; L246-V290 HydrophobicContact CD2-CG2 4.39Å; L246-V290 HydrophobicContact CG-CB 4.45Å; L246-V290 HydrophobicContact CG-CG1 4.11Å; L246-L291 HydrophobicContact CD1-CD2 3.84Å; L246-L291 HydrophobicContact CD2-CD2 4.2Å; L246-L291 HydrophobicContact CG-CD2 3.84Å
247D96.3Very high95.9Very high33 Ų3330.9 Ų30.918%0.17617%0.165CC..Hα-helixtrans-57.2-36.1170.1-62.6-105.7000112.2Q251 K293 Y294D247-Q251 VanDerWaalsContact O-CG 3.28Å; D247-Q251 WeakPolarHBondContact O-CG 3.38Å; D247-Q251 PolarHBondContact O-N 2.88Å; D247-Q251 PolarHBondContact O-NE2 3.33Å; D247-K293 IonicContact OD1-NZ 2.65Å; D247-K293 PolarHBondContact OD1-NZ 2.78Å; D247-Y294 HydrophobicContact CB-CE2 4.08Å; D247-Y294 PolarHBondContact OD1-OH 2.95Å
248V97.3Very high95.8Very high4 Ų433.2 Ų33.22%0.02418%0.182CC..Hα-helixtrans-71.7-48.9178.4174.70000111.5N207 L210 K211 G244 G245 L246 S250 Q251 V252N207-V248 HydrophobicContact CB-CG2 4.33Å; L210-V248 HydrophobicContact CB-CG1 3.59Å; L210-V248 HydrophobicContact CD1-CG1 4.24Å; K211-V248 HydrophobicContact CD-CG2 4.25Å; K211-V248 HydrophobicContact CG-CG1 3.99Å; K211-V248 HydrophobicContact CG-CG2 4.03Å; G244-V248 WeakPolarHBondContact O-CG2 3.5Å; G244-V248 PolarHBondContact O-N 3.12Å; G245-V248 WeakPolarHBondContact O-CB 3.49Å; G245-V248 PolarHBondContact O-N 3.37Å; L246-V248 PolarHBondContact O-N 3.45Å; V248-S250 PolarHBondContact O-N 3.23Å; V248-Q251 PolarHBondContact O-N 3.09Å; V248-V252 HydrophobicContact CG1-CG2 4.37Å; V248-V252 WeakPolarHBondContact O-CG2 3.39Å; V248-V252 PolarHBondContact O-N 3.45Å
249L97.4Very high95.6Very high0 Ų030.1 Ų30.10%017%0.171CC..Hα-helixtrans-59.3-37.7175.4-67174.8000111.3L210 F240 G245 L246 V252 L253 V273 T276 V277L210-L249 HydrophobicContact CD1-CD2 3.75Å; F240-L249 HydrophobicContact CE1-CD1 3.64Å; F240-L249 HydrophobicContact CE1-CG 4.33Å; F240-L249 HydrophobicContact CZ-CD1 3.75Å; F240-L249 HydrophobicContact CZ-CG 4.1Å; G245-L249 PolarHBondContact O-N 2.56Å; L246-L249 PolarHBondContact O-N 2.96Å; L249-V252 PolarHBondContact O-N 3.48Å; L249-L253 VanDerWaalsContact O-CB 3.24Å; L249-L253 WeakPolarHBondContact O-CB 3.47Å; L249-L253 PolarHBondContact O-N 2.89Å; L249-V273 HydrophobicContact CB-CG1 4.29Å; L249-V273 HydrophobicContact CD2-CG1 4.13Å; L249-V273 WeakPolarHBondContact O-CG1 3.38Å; L249-T276 HydrophobicContact CD1-CG2 3.71Å; L249-T276 HydrophobicContact CD2-CG2 3.98Å; L249-V277 HydrophobicContact CB-CG2 3.69Å; L249-V277 HydrophobicContact CD1-CG2 4.25Å
250S97.1Very high95.3Very high0 Ų026.7 Ų26.70%016%0.158CC..Hα-helixtrans-61.8-48174.8-58.10000112.1L246 V248 L253 V254 L291 Y294L246-S250 WeakPolarHBondContact O-CB 3.49Å; L246-S250 PolarHBondContact O-N 3.42Å; L246-S250 PolarHBondContact O-OG 3.27Å; V248-S250 PolarHBondContact O-N 3.23Å; S250-L253 PolarHBondContact O-N 3.08Å; S250-V254 VanDerWaalsContact O-CG2 3.32Å; S250-V254 WeakPolarHBondContact O-CG2 3.23Å; S250-V254 PolarHBondContact O-N 3.38Å; S250-L291 VanDerWaalsContact OG-CD2 3.28Å; S250-L291 WeakPolarHBondContact OG-CD2 3.13Å; S250-Y294 VanDerWaalsContact CB-CD2 3.48Å
251Q96.6Very high94.6Very high89 Ų8933.4 Ų33.442%0.41619%0.188SC..Hα-helixtrans-62.7-43177.3-76159.561.300112.5D247 V248 V254 Q255 Y294D247-Q251 VanDerWaalsContact O-CG 3.28Å; D247-Q251 WeakPolarHBondContact O-CG 3.38Å; D247-Q251 PolarHBondContact O-N 2.88Å; D247-Q251 PolarHBondContact O-NE2 3.33Å; V248-Q251 PolarHBondContact O-N 3.09Å; Q251-V254 PolarHBondContact O-N 3.11Å; Q251-Q255 PolarHBondContact O-N 3.41Å; Q251-Q255 VanDerWaalsContact O-N 3.15Å; Q251-Y294 HydrophobicContact CG-CD1 4.24Å; Q251-Y294 HydrophobicContact CG-CE1 3.62Å; Q251-Y294 PolarHBondContact NE2-OH 2.97Å
252V96.6Very high94Very high2 Ų240.3 Ų40.31%0.01222%0.219CC..Hα-helixtrans-64.6-40.9176.1175.50000111L210 M214 I219 V248 L249 Q255 L256 V273L210-V252 HydrophobicContact CB-CG2 4.24Å; L210-V252 WeakPolarHBondContact O-CG2 3.34Å; M214-V252 HydrophobicContact CE-CG2 4.08Å; M214-V252 HydrophobicContact SD-CG1 4.02Å; M214-V252 HydrophobicContact SD-CG2 4.42Å; I219-V252 HydrophobicContact CD1-CG1 3.87Å; V248-V252 HydrophobicContact CG1-CG2 4.37Å; V248-V252 WeakPolarHBondContact O-CG2 3.39Å; V248-V252 PolarHBondContact O-N 3.45Å; L249-V252 PolarHBondContact O-N 3.48Å; V252-Q255 PolarHBondContact O-N 3.16Å; V252-L256 HydrophobicContact CG1-CD1 3.76Å; V252-L256 HydrophobicContact CG1-CG 4.21Å; V252-L256 WeakPolarHBondContact O-CB 3.22Å; V252-L256 WeakPolarHBondContact O-CG 3.1Å; V252-L256 PolarHBondContact O-N 3.19Å; V252-V273 HydrophobicContact CG1-CG1 4.4Å; V252-V273 HydrophobicContact CG1-CG2 3.94Å
253L96.9Very high93.5Very high0 Ų039 Ų390%021%0.207CC..Hα-helixtrans-66.1-40.6178.4-177.254.9000112.4L249 S250 Q255 L256 E257 A270 V273 T274 V277 I296 L300 L303L249-L253 VanDerWaalsContact O-CB 3.24Å; L249-L253 WeakPolarHBondContact O-CB 3.47Å; L249-L253 PolarHBondContact O-N 2.89Å; S250-L253 PolarHBondContact O-N 3.08Å; L253-Q255 VanDerWaalsContact C-N 3.35Å; L253-Q255 PolarHBondContact O-N 3.22Å; L253-L256 PolarHBondContact O-N 3.37Å; L253-E257 WeakPolarHBondContact O-CB 3.44Å; L253-E257 PolarHBondContact O-N 3.37Å; L253-A270 HydrophobicContact CD1-CB 3.91Å; L253-V273 HydrophobicContact CB-CG1 3.93Å; L253-T274 WeakPolarHBondContact CD1-OG1 3.44Å; L253-V277 HydrophobicContact CD2-CG2 4.47Å; L253-I296 HydrophobicContact CD2-CD1 4.39Å; L253-I296 HydrophobicContact CD2-CG2 3.97Å; L253-L300 HydrophobicContact CD2-CD2 4.22Å; L253-L303 HydrophobicContact CD1-CD1 3.86Å
254V96.3Very high93.1Very high42 Ų4240.9 Ų40.926%0.25522%0.215SC..Hα-helixtrans-60.7-42.8174.3170.50000111.4S250 Q251 S258 I296 K299S250-V254 VanDerWaalsContact O-CG2 3.32Å; S250-V254 WeakPolarHBondContact O-CG2 3.23Å; S250-V254 PolarHBondContact O-N 3.38Å; Q251-V254 PolarHBondContact O-N 3.11Å; V254-S258 PolarHBondContact O-N 2.91Å; V254-S258 PolarHBondContact O-OG 3.29Å; V254-I296 HydrophobicContact CG2-CD1 3.84Å; V254-K299 HydrophobicContact CG2-CG 4.26Å
255Q95.1Very high92.7Very high90 Ų9042.8 Ų42.842%0.42123%0.225SC..Hα-helixtrans-66.2-49.5176.3-173.265.25800111.7M214 Q251 V252 L253 E257 S258 D259M214-Q255 HydrophobicContact CE-CB 4.28Å; M214-Q255 HydrophobicContact CE-CG 4.27Å; Q251-Q255 PolarHBondContact O-N 3.41Å; Q251-Q255 VanDerWaalsContact O-N 3.15Å; V252-Q255 PolarHBondContact O-N 3.16Å; L253-Q255 VanDerWaalsContact C-N 3.35Å; L253-Q255 PolarHBondContact O-N 3.22Å; Q255-E257 VanDerWaalsContact C-N 3.3Å; Q255-E257 PolarHBondContact O-N 3.21Å; Q255-S258 WeakPolarHBondContact O-CB 3.41Å; Q255-S258 PolarHBondContact O-N 3.42Å; Q255-D259 PolarHBondContact NE2-OD1 2.92Å; Q255-D259 PolarHBondContact O-N 3.08Å
256L94.5Very high92.4Very high3 Ų343.6 Ų43.62%0.01623%0.231CC..Hα-helixtrans-67.9-27.1-177.2-68.1176.2000113.6I219 V252 L253 S260 L269 A270 V273I219-L256 HydrophobicContact CD1-CD1 4.25Å; V252-L256 HydrophobicContact CG1-CD1 3.76Å; V252-L256 HydrophobicContact CG1-CG 4.21Å; V252-L256 WeakPolarHBondContact O-CB 3.22Å; V252-L256 WeakPolarHBondContact O-CG 3.1Å; V252-L256 PolarHBondContact O-N 3.19Å; L253-L256 PolarHBondContact O-N 3.37Å; L256-S260 WeakPolarHBondContact O-CB 3.41Å; L256-S260 PolarHBondContact O-N 3.33Å; L256-L269 HydrophobicContact CD1-CB 4.17Å; L256-L269 HydrophobicContact CD1-CD2 4.09Å; L256-L269 HydrophobicContact CD1-CG 3.83Å; L256-L269 HydrophobicContact CD2-CD2 3.97Å; L256-L269 HydrophobicContact CD2-CG 4.46Å; L256-A270 HydrophobicContact CB-CB 3.86Å; L256-V273 HydrophobicContact CD1-CG2 3.75Å
257E94.3Very high92.2Very high10 Ų1043.6 Ų43.65%0.04723%0.231CC..Hα-helixtrans-68.3-41.9167.9173.7-89.1-163.100111.3L253 Q255 D259 S260 K299 A302 L303L253-E257 WeakPolarHBondContact O-CB 3.44Å; L253-E257 PolarHBondContact O-N 3.37Å; Q255-E257 VanDerWaalsContact C-N 3.3Å; Q255-E257 PolarHBondContact O-N 3.21Å; E257-D259 VanDerWaalsContact C-N 3.33Å; E257-D259 PolarHBondContact O-N 2.97Å; E257-S260 WeakPolarHBondContact O-CB 3.43Å; E257-S260 PolarHBondContact O-N 3.39Å; E257-S260 PolarHBondContact O-OG 3.24Å; E257-K299 HydrophobicContact CB-CD 4.23Å; E257-K299 HydrophobicContact CG-CB 4.35Å; E257-K299 HydrophobicContact CG-CD 3.81Å; E257-K299 WeakPolarHBondContact OE1-CD 3.5Å; E257-K299 IonicContact OE1-NZ 2.79Å; E257-K299 PolarHBondContact OE1-NZ 3.02Å; E257-K299 WeakPolarHBondContact OE2-CD 3.28Å; E257-K299 WeakPolarHBondContact OE2-CE 3.48Å; E257-K299 IonicContact OE2-NZ 3.16Å; E257-K299 PolarHBondContact OE2-NZ 3.29Å; E257-A302 HydrophobicContact CG-CB 4.29Å; E257-A302 WeakPolarHBondContact OE1-CB 3.34Å; E257-L303 HydrophobicContact CB-CD1 4.2Å; E257-L303 HydrophobicContact CB-CD2 4.18Å; E257-L303 HydrophobicContact CB-CG 4.1Å; E257-L303 HydrophobicContact CG-CD2 4.24Å; E257-L303 HydrophobicContact CG-CG 3.96Å
258S92.3Very high92.1Very high53 Ų5345 Ų4537%0.37124%0.235SC..Hα-helixtrans-64.5-43.2179-59.10000110.3V254 Q255 S260V254-S258 PolarHBondContact O-N 2.91Å; V254-S258 PolarHBondContact O-OG 3.29Å; Q255-S258 WeakPolarHBondContact O-CB 3.41Å; Q255-S258 PolarHBondContact O-N 3.42Å; S258-S260 PolarHBondContact O-N 3.16Å
259D90.8Very high91.9Very high46 Ų4645 Ų4525%0.24624%0.235CC..G310 helixtrans-70.1-14.2174.8-55.8-11000112.9Q255 E257 H261 E262 T263 S266Q255-D259 PolarHBondContact NE2-OD1 2.92Å; Q255-D259 PolarHBondContact O-N 3.08Å; E257-D259 VanDerWaalsContact C-N 3.33Å; E257-D259 PolarHBondContact O-N 2.97Å; D259-H261 VanDerWaalsContact C-N 3.28Å; D259-H261 PolarHBondContact O-N 3.36Å; D259-E262 PolarHBondContact O-N 3.01Å; D259-E262 VanDerWaalsContact O-N 3.17Å; D259-T263 PolarHBondContact O-N 3.4Å; D259-S266 WeakPolarHBondContact CB-OG 3.39Å; D259-S266 WeakPolarHBondContact O-CB 3.38Å
260S88.3Confident91.8Very high1 Ų145 Ų451%0.00724%0.235CC..G310 helixtrans-70.5-24.2-177.180.60000113.2L256 E257 S258 E262 H306L256-S260 WeakPolarHBondContact O-CB 3.41Å; L256-S260 PolarHBondContact O-N 3.33Å; E257-S260 WeakPolarHBondContact O-CB 3.43Å; E257-S260 PolarHBondContact O-N 3.39Å; E257-S260 PolarHBondContact O-OG 3.24Å; S258-S260 PolarHBondContact O-N 3.16Å; S260-E262 VanDerWaalsContact C-N 3.3Å; S260-H306 PolarHBondContact O-NE2 3.46Å
261H83Confident91.7Very high140 Ų14045.1 Ų45.165%0.64824%0.236SC*.G310 helixtrans-70.2-28172.8-60-55.2000112.1D259D259-H261 VanDerWaalsContact C-N 3.28Å; D259-H261 PolarHBondContact O-N 3.36Å
262E82.3Confident91.6Very high173 Ų17341.6 Ų41.681%0.80822%0.22SC*.THydrogen-bonded Turntrans-89.1-38.6176.8-60.2-166169.900112.4D259 S260D259-E262 PolarHBondContact O-N 3.01Å; D259-E262 VanDerWaalsContact O-N 3.17Å; S260-E262 VanDerWaalsContact C-N 3.3Å
263T85.3Confident91.6Very high61 Ų6141.5 Ų41.537%0.37422%0.22SC..  trans-138.5137.1-17894.30000115.8D259 S265 S266 A267D259-T263 PolarHBondContact O-N 3.4Å; T263-S265 PolarHBondContact O-N 3.43Å; T263-S265 PolarHBondContact OG1-N 2.77Å; T263-S266 PolarHBondContact O-N 3.36Å; T263-S266 PolarHBondContact OG1-N 3.29Å; T263-S266 PolarHBondContact OG1-OG 3.42Å; T263-A267 PolarHBondContact O-N 3.02Å; T263-A267 VanDerWaalsContact O-N 3.15Å
264L87.2Confident91.6Very high89 Ų8941.5 Ų41.547%0.46622%0.22SC..Hα-helixtrans-55.1-30.4166177.460.2000113A267 K268 S308L264-A267 PolarHBondContact O-N 3.43Å; L264-K268 HydrophobicContact CD1-CD 4.22Å; L264-K268 HydrophobicContact CD1-CG 4.2Å; L264-K268 HydrophobicContact CG-CD 4.47Å; L264-K268 PolarHBondContact O-N 3.01Å; L264-S308 WeakPolarHBondContact CD1-OG 3.3Å
265S87.3Confident91.5Very high62 Ų6241.9 Ų41.943%0.43422%0.218SC..Hα-helixtrans-66.4-45.2179.3-163.40000110.8T263 K268 L269T263-S265 PolarHBondContact O-N 3.43Å; T263-S265 PolarHBondContact OG1-N 2.77Å; S265-K268 PolarHBondContact O-N 3.36Å; S265-L269 VanDerWaalsContact O-CB 3.31Å; S265-L269 WeakPolarHBondContact O-CB 3.27Å; S265-L269 PolarHBondContact O-N 2.9Å
266S90.8Very high91.6Very high18 Ų1837.8 Ų37.813%0.12620%0.199CC..Hα-helixtrans-64.3-43.8174.9-55.30000111.4D259 T263 K268 L269 A270D259-S266 WeakPolarHBondContact CB-OG 3.39Å; D259-S266 WeakPolarHBondContact O-CB 3.38Å; T263-S266 PolarHBondContact O-N 3.36Å; T263-S266 PolarHBondContact OG1-N 3.29Å; T263-S266 PolarHBondContact OG1-OG 3.42Å; S266-K268 PolarHBondContact O-N 2.67Å; S266-L269 PolarHBondContact O-N 3.49Å; S266-L269 VanDerWaalsContact O-N 3.12Å; S266-A270 WeakPolarHBondContact O-CB 3.15Å; S266-A270 PolarHBondContact O-N 3.38Å
267A91.9Very high91.6Very high0 Ų037.7 Ų37.70%020%0.199CC..Hα-helixtrans-55.2-50.4175.200000112.5T263 L264 L269 A270 V271 L309T263-A267 PolarHBondContact O-N 3.02Å; T263-A267 VanDerWaalsContact O-N 3.15Å; L264-A267 PolarHBondContact O-N 3.43Å; A267-L269 VanDerWaalsContact C-N 3.32Å; A267-L269 PolarHBondContact O-N 2.87Å; A267-A270 WeakPolarHBondContact O-CB 3.32Å; A267-A270 PolarHBondContact O-N 2.83Å; A267-V271 PolarHBondContact O-N 3.29Å; A267-L309 HydrophobicContact CB-CD2 4.28Å
268K92.4Very high91.6Very high62 Ų6238.5 Ų38.527%0.2720%0.204SC..Hα-helixtrans-71.2-24.6178.1-69.4-173.1174.2-78.70113.2L264 S265 S266 L309 E313L264-K268 HydrophobicContact CD1-CD 4.22Å; L264-K268 HydrophobicContact CD1-CG 4.2Å; L264-K268 HydrophobicContact CG-CD 4.47Å; L264-K268 PolarHBondContact O-N 3.01Å; S265-K268 PolarHBondContact O-N 3.36Å; S266-K268 PolarHBondContact O-N 2.67Å; K268-L309 HydrophobicContact CG-CD2 3.97Å; K268-E313 WeakPolarHBondContact CG-OE1 3.28Å; K268-E313 IonicContact NZ-OE1 3.71Å; K268-E313 PolarHBondContact NZ-OE1 3.22Å; K268-E313 IonicContact NZ-OE2 2.68Å; K268-E313 PolarHBondContact NZ-OE2 2.92Å
269L93.3Very high91.6Very high3 Ų337 Ų372%0.01619%0.194CC..Hα-helixtrans-76.9-36.5173.6-165.561.8000111.9P216 I219 R220 L256 S265 S266 A267 V271 V272 V273P216-L269 HydrophobicContact CB-CD1 4.28Å; P216-L269 HydrophobicContact CB-CD2 4.25Å; P216-L269 HydrophobicContact CG-CD2 4.11Å; I219-L269 HydrophobicContact CB-CD1 4.04Å; I219-L269 HydrophobicContact CB-CD2 4.22Å; I219-L269 HydrophobicContact CB-CG 4.38Å; I219-L269 HydrophobicContact CD1-CD2 3.97Å; I219-L269 HydrophobicContact CG2-CD1 3.7Å; I219-L269 HydrophobicContact CG2-CD2 4.3Å; I219-L269 HydrophobicContact CG2-CG 3.96Å; R220-L269 HydrophobicContact CG-CD1 3.64Å; L256-L269 HydrophobicContact CD1-CB 4.17Å; L256-L269 HydrophobicContact CD1-CD2 4.09Å; L256-L269 HydrophobicContact CD1-CG 3.83Å; L256-L269 HydrophobicContact CD2-CD2 3.97Å; L256-L269 HydrophobicContact CD2-CG 4.46Å; S265-L269 VanDerWaalsContact O-CB 3.31Å; S265-L269 WeakPolarHBondContact O-CB 3.27Å; S265-L269 PolarHBondContact O-N 2.9Å; S266-L269 PolarHBondContact O-N 3.49Å; S266-L269 VanDerWaalsContact O-N 3.12Å; A267-L269 VanDerWaalsContact C-N 3.32Å; A267-L269 PolarHBondContact O-N 2.87Å; L269-V271 VanDerWaalsContact C-N 3.31Å; L269-V271 PolarHBondContact O-N 3.2Å; L269-V272 WeakPolarHBondContact O-CB 3.31Å; L269-V272 PolarHBondContact O-N 2.71Å; L269-V273 PolarHBondContact O-N 3.43Å; L269-V273 VanDerWaalsContact O-N 3.12Å
270A95.8Very high91.6Very high0 Ų034.9 Ų34.90%018%0.183CC..Hα-helixtrans-56.2-45.4171.800000110.6L253 L256 S266 A267 V272 V273 T274 L303L253-A270 HydrophobicContact CD1-CB 3.91Å; L256-A270 HydrophobicContact CB-CB 3.86Å; S266-A270 WeakPolarHBondContact O-CB 3.15Å; S266-A270 PolarHBondContact O-N 3.38Å; A267-A270 WeakPolarHBondContact O-CB 3.32Å; A267-A270 PolarHBondContact O-N 2.83Å; A270-V272 VanDerWaalsContact C-N 3.26Å; A270-V272 PolarHBondContact O-N 3.29Å; A270-V273 CarbonylContact O-C 3.54Å; A270-V273 WeakPolarHBondContact O-CA 3.44Å; A270-V273 PolarHBondContact O-N 2.98Å; A270-T274 PolarHBondContact O-N 2.93Å; A270-T274 PolarHBondContact O-OG1 3.41Å; A270-T274 VanDerWaalsContact O-OG1 3.12Å; A270-L303 HydrophobicContact CB-CD1 3.81Å; A270-L303 HydrophobicContact CB-CD2 3.85Å
271V94.9Very high91.8Very high3 Ų334.9 Ų34.92%0.01818%0.183CC..Hα-helixtrans-57.8-34.4175.2177.40000113A267 L269 K275 L309 E313 I317A267-V271 PolarHBondContact O-N 3.29Å; L269-V271 VanDerWaalsContact C-N 3.31Å; L269-V271 PolarHBondContact O-N 3.2Å; V271-K275 WeakPolarHBondContact O-CG 3.43Å; V271-K275 PolarHBondContact O-N 2.91Å; V271-L309 HydrophobicContact CG2-CD1 3.86Å; V271-L309 HydrophobicContact CG2-CD2 4.09Å; V271-E313 HydrophobicContact CG1-CB 4.07Å; V271-E313 HydrophobicContact CG1-CG 4.13Å; V271-E313 HydrophobicContact CG2-CB 4.29Å; V271-I317 HydrophobicContact CG2-CD1 4.03Å; V271-I317 HydrophobicContact CG2-CG1 4.34Å
272V94.5Very high92Very high16 Ų1629.1 Ų29.110%0.09716%0.16CC..Hα-helixtrans-70.6-37.4175.3175.30000111.4R220 C223 L269 A270 T276R220-V272 HydrophobicContact CG-CG1 4.36Å; C223-V272 HydrophobicContact CB-CG1 3.67Å; L269-V272 WeakPolarHBondContact O-CB 3.31Å; L269-V272 PolarHBondContact O-N 2.71Å; A270-V272 VanDerWaalsContact C-N 3.26Å; A270-V272 PolarHBondContact O-N 3.29Å; V272-T276 PolarHBondContact O-N 3.35Å; V272-T276 PolarHBondContact O-OG1 2.95Å
273V96.8Very high92Very high0 Ų026.9 Ų26.90%015%0.153CC..Hα-helixtrans-69-42.2173.7-179.50000110.7I219 L249 V252 L253 L256 L269 A270 K275 T276 V277I219-V273 HydrophobicContact CG2-CG2 3.81Å; L249-V273 HydrophobicContact CB-CG1 4.29Å; L249-V273 HydrophobicContact CD2-CG1 4.13Å; L249-V273 WeakPolarHBondContact O-CG1 3.38Å; V252-V273 HydrophobicContact CG1-CG1 4.4Å; V252-V273 HydrophobicContact CG1-CG2 3.94Å; L253-V273 HydrophobicContact CB-CG1 3.93Å; L256-V273 HydrophobicContact CD1-CG2 3.75Å; L269-V273 PolarHBondContact O-N 3.43Å; L269-V273 VanDerWaalsContact O-N 3.12Å; A270-V273 CarbonylContact O-C 3.54Å; A270-V273 WeakPolarHBondContact O-CA 3.44Å; A270-V273 PolarHBondContact O-N 2.98Å; V273-K275 PolarHBondContact O-N 3.07Å; V273-T276 CarbonylContact O-C 3.58Å; V273-T276 WeakPolarHBondContact O-CA 3.39Å; V273-T276 VanDerWaalsContact O-CB 3.27Å; V273-T276 WeakPolarHBondContact O-CB 3.16Å; V273-T276 PolarHBondContact O-N 3.18Å; V273-V277 PolarHBondContact O-N 3.35Å
274T96.8Very high92Very high0 Ų024.3 Ų24.30%014%0.137CC..Hα-helixtrans-53.2-49.9172.1-65.60000112.1L253 A270 T276 V277 D278 L300 I317 T320L253-T274 WeakPolarHBondContact CD1-OG1 3.44Å; A270-T274 PolarHBondContact O-N 2.93Å; A270-T274 PolarHBondContact O-OG1 3.41Å; A270-T274 VanDerWaalsContact O-OG1 3.12Å; T274-T276 PolarHBondContact O-N 2.87Å; T274-T276 VanDerWaalsContact O-N 3.15Å; T274-V277 WeakPolarHBondContact O-CB 3.41Å; T274-V277 PolarHBondContact O-N 3.34Å; T274-V277 VanDerWaalsContact O-N 3.12Å; T274-D278 PolarHBondContact O-N 3.47Å; T274-L300 HydrophobicContact CG2-CD2 3.47Å; T274-L300 VanDerWaalsContact CG2-CD2 3.47Å; T274-L300 WeakPolarHBondContact OG1-CD2 3.48Å; T274-I317 HydrophobicContact CG2-CG1 4.35Å; T274-T320 HydrophobicContact CG2-CG2 4.07Å; T274-T320 WeakPolarHBondContact CG2-OG1 3.39Å
275K94.8Very high91.6Very high49 Ų4921.7 Ų21.721%0.21313%0.125CC..Hα-helixtrans-58.4-26.2173.4-74.5175178.4-179.40113.9V271 V273 A279 S316 L579V271-K275 WeakPolarHBondContact O-CG 3.43Å; V271-K275 PolarHBondContact O-N 2.91Å; V273-K275 PolarHBondContact O-N 3.07Å; K275-A279 PolarHBondContact O-N 3.08Å; K275-S316 WeakPolarHBondContact CE-OG 3.24Å; K275-S316 PolarHBondContact NZ-OG 3.33Å; K275-L579 HydrophobicContact CD-CD2 3.88Å; K275-L579 PolarHBondContact NZ-O 3.06Å
276T95.6Very high91.4Very high5 Ų523.7 Ų23.73%0.03114%0.135CC..Hα-helixtrans-82.4-38.5177.4-470000111.2C223 I226 L249 V272 V273 T274 D278 A279 C280C223-T276 HydrophobicContact CB-CG2 4.41Å; C223-T276 WeakPolarHBondContact CB-OG1 3.39Å; C223-T276 PolarHBondContact SG-OG1 2.58Å; I226-T276 HydrophobicContact CB-CG2 3.88Å; I226-T276 HydrophobicContact CG2-CG2 3.57Å; L249-T276 HydrophobicContact CD1-CG2 3.71Å; L249-T276 HydrophobicContact CD2-CG2 3.98Å; V272-T276 PolarHBondContact O-N 3.35Å; V272-T276 PolarHBondContact O-OG1 2.95Å; V273-T276 CarbonylContact O-C 3.58Å; V273-T276 WeakPolarHBondContact O-CA 3.39Å; V273-T276 VanDerWaalsContact O-CB 3.27Å; V273-T276 WeakPolarHBondContact O-CB 3.16Å; V273-T276 PolarHBondContact O-N 3.18Å; T274-T276 PolarHBondContact O-N 2.87Å; T274-T276 VanDerWaalsContact O-N 3.15Å; T276-D278 VanDerWaalsContact C-N 3.34Å; T276-A279 PolarHBondContact O-N 2.59Å; T276-C280 PolarHBondContact O-N 2.77Å; T276-C280 PolarHBondContact O-SG 3.3Å
277V95.8Very high91.3Very high1 Ų123.7 Ų23.71%0.00613%0.133CC..Hα-helixtrans-60.6-44.9170.5173.30000110.2L246 L249 L253 V273 T274 A279 C280 I281 L291 T320L246-V277 HydrophobicContact CD1-CG1 4.26Å; L249-V277 HydrophobicContact CB-CG2 3.69Å; L249-V277 HydrophobicContact CD1-CG2 4.25Å; L253-V277 HydrophobicContact CD2-CG2 4.47Å; V273-V277 PolarHBondContact O-N 3.35Å; T274-V277 WeakPolarHBondContact O-CB 3.41Å; T274-V277 PolarHBondContact O-N 3.34Å; T274-V277 VanDerWaalsContact O-N 3.12Å; V277-A279 PolarHBondContact O-N 3.15Å; V277-C280 WeakPolarHBondContact O-CA 3.43Å; V277-C280 VanDerWaalsContact O-CB 3.24Å; V277-C280 WeakPolarHBondContact O-CB 3.21Å; V277-C280 PolarHBondContact O-N 2.8Å; V277-I281 HydrophobicContact CG1-CD1 4.46Å; V277-I281 PolarHBondContact O-N 2.98Å; V277-I281 VanDerWaalsContact O-N 3.15Å; V277-L291 HydrophobicContact CG1-CD1 3.74Å; V277-L291 HydrophobicContact CG1-CD2 3.99Å; V277-T320 HydrophobicContact CG1-CG2 4.33Å
278D94Very high90.9Very high27 Ų2723.8 Ų23.814%0.14413%0.133CC..Hα-helixtrans-52.5-51.9175.3-163.458000111.7T274 T276 C280 I281 A282 T320 H323T274-D278 PolarHBondContact O-N 3.47Å; T276-D278 VanDerWaalsContact C-N 3.34Å; D278-C280 PolarHBondContact O-N 3.22Å; D278-C280 VanDerWaalsContact O-N 3.15Å; D278-I281 PolarHBondContact O-N 2.82Å; D278-I281 VanDerWaalsContact O-N 3.08Å; D278-A282 WeakPolarHBondContact O-CB 3.48Å; D278-A282 PolarHBondContact O-N 3.02Å; D278-T320 HydrophobicContact CB-CG2 4.13Å; D278-T320 VanDerWaalsContact OD1-CA 3.3Å; D278-T320 WeakPolarHBondContact OD1-CA 3.34Å; D278-H323 IonicContact OD1-CE1 3.56Å; D278-H323 IonicContact OD1-CG 3.8Å; D278-H323 IonicContact OD1-ND1 3.46Å; D278-H323 PolarHBondContact OD1-ND1 2.73Å; D278-H323 IonicContact OD2-ND1 3.19Å
279A92.2Very high90.6Very high21 Ų2125.2 Ų25.217%0.17414%0.143CC..Hα-helixtrans-63.5-18.7176.100000114.6Q237 K275 T276 V277Q237-A279 PolarHBondContact NE2-O 3.01Å; K275-A279 PolarHBondContact O-N 3.08Å; T276-A279 PolarHBondContact O-N 2.59Å; V277-A279 PolarHBondContact O-N 3.15Å
280C91.4Very high90.5Very high1 Ų126.5 Ų26.51%0.00715%0.151CC..Hα-helixtrans-78.9-38.1172-600000112.5L230 F240 L246 T276 V277 D278 F287L230-C280 HydrophobicContact CD1-CB 4.38Å; L230-C280 WeakPolarHBondContact CD1-SG 3.24Å; F240-C280 VanDerWaalsContact CD1-SG 3.59Å; F240-C280 WeakPolarHBondContact CE1-SG 3.13Å; L246-C280 HydrophobicContact CD1-CB 3.78Å; T276-C280 PolarHBondContact O-N 2.77Å; T276-C280 PolarHBondContact O-SG 3.3Å; V277-C280 WeakPolarHBondContact O-CA 3.43Å; V277-C280 VanDerWaalsContact O-CB 3.24Å; V277-C280 WeakPolarHBondContact O-CB 3.21Å; V277-C280 PolarHBondContact O-N 2.8Å; D278-C280 PolarHBondContact O-N 3.22Å; D278-C280 VanDerWaalsContact O-N 3.15Å; C280-F287 WeakPolarHBondContact O-CD2 3.48Å
281I91.1Very high90.4Very high1 Ų126.5 Ų26.51%0.00515%0.151CC..Hα-helixtrans-100.7-21.5-169.467.2178.6000114.3L246 V277 D278 D283 N284 F287 L291 T320 H323L246-I281 HydrophobicContact CD1-CG2 4.44Å; L246-I281 HydrophobicContact CD2-CG2 4.16Å; V277-I281 HydrophobicContact CG1-CD1 4.46Å; V277-I281 PolarHBondContact O-N 2.98Å; V277-I281 VanDerWaalsContact O-N 3.15Å; D278-I281 PolarHBondContact O-N 2.82Å; D278-I281 VanDerWaalsContact O-N 3.08Å; I281-D283 PolarHBondContact O-N 3.25Å; I281-N284 CarbonylContact O-C 3.27Å; I281-N284 WeakPolarHBondContact O-CA 3.45Å; I281-N284 PolarHBondContact O-N 3.2Å; I281-F287 HydrophobicContact CG2-CB 3.97Å; I281-L291 HydrophobicContact CD1-CD1 3.85Å; I281-L291 HydrophobicContact CG2-CD1 3.95Å; I281-T320 HydrophobicContact CD1-CG2 4.33Å; I281-H323 HydrophobicContact CD1-CB 3.72Å; I281-H323 HydrophobicContact CG1-CB 3.78Å
282A87.9Confident90.2Very high20 Ų2027.7 Ų27.717%0.16516%0.159CC..THydrogen-bonded Turntrans-51.9136.8175.900000111.5Q237 D278 N284Q237-A282 PolarHBondContact NE2-O 2.93Å; Q237-A282 VanDerWaalsContact NE2-O 3.13Å; D278-A282 WeakPolarHBondContact O-CB 3.48Å; D278-A282 PolarHBondContact O-N 3.02Å; A282-N284 PolarHBondContact O-N 3Å; A282-N284 VanDerWaalsContact O-N 3.12Å; A282-N284 PolarHBondContact O-ND2 2.89Å
283D83.4Confident90.1Very high125 Ų12532.9 Ų32.967%0.66818%0.181SC*.THydrogen-bonded Turntrans58.59.6-172.5-53.3-55.1000115.6I281I281-D283 PolarHBondContact O-N 3.25Å
284N84.6Confident90Very high8 Ų835.2 Ų35.24%0.04319%0.19CC..  trans-139.963.7-174.6-64.2-102.8000113Q237 I281 A282 T286 F287Q237-N284 PolarHBondContact OE1-ND2 3.09Å; I281-N284 CarbonylContact O-C 3.27Å; I281-N284 WeakPolarHBondContact O-CA 3.45Å; I281-N284 PolarHBondContact O-N 3.2Å; A282-N284 PolarHBondContact O-N 3Å; A282-N284 VanDerWaalsContact O-N 3.12Å; A282-N284 PolarHBondContact O-ND2 2.89Å; N284-T286 PolarHBondContact O-N 2.96Å; N284-F287 HydrophobicContact CB-CD2 3.45Å; N284-F287 VanDerWaalsContact CB-CD2 3.45Å; N284-F287 HydrophobicContact CB-CE2 3.36Å; N284-F287 HydrophobicContact CB-CG 4.3Å; N284-F287 HydrophobicContact CB-CZ 4.15Å; N284-F287 PolarHBondContact O-N 3.04Å
285P78Confident89.9Confident33 Ų3340.4 Ų40.421%0.21421%0.214CC..G310 helixtrans-55.2-26.9-174.620.5-33.5000114.6F287 G288 E326 D327P285-F287 PolarHBondContact O-N 3.19Å; P285-G288 PolarHBondContact O-N 3.19Å; P285-E326 HydrophobicContact CB-CB 4.22Å; P285-E326 HydrophobicContact CB-CG 4.14Å; P285-E326 WeakPolarHBondContact CB-O 3.48Å; P285-D327 HydrophobicContact CB-CB 4.14Å
286T84.4Confident89.9Confident104 Ų10438 Ų3864%0.63820%0.204SC*.G310 helixtrans-54.5-15.4173.253.50000115.4N284N284-T286 PolarHBondContact O-N 2.96Å
287F87.4Confident89.9Confident19 Ų1937.8 Ų37.88%0.08320%0.202CC..G310 helixtrans-88.5-12.3174.8-56.7-31.4000113.9Q237 K238 V241 L246 C280 I281 N284 P285 I289 V290Q237-F287 HydrophobicContact CB-CE2 4.16Å; K238-F287 HydrophobicContact CG-CE1 4.38Å; K238-F287 HydrophobicContact CG-CZ 3.66Å; V241-F287 HydrophobicContact CB-CE1 4.43Å; V241-F287 HydrophobicContact CG1-CD1 4.27Å; V241-F287 HydrophobicContact CG1-CE1 4.42Å; V241-F287 HydrophobicContact CG2-CD1 4.06Å; V241-F287 HydrophobicContact CG2-CD2 4.03Å; V241-F287 HydrophobicContact CG2-CE1 4.13Å; V241-F287 HydrophobicContact CG2-CE2 4.09Å; V241-F287 HydrophobicContact CG2-CG 4.03Å; V241-F287 HydrophobicContact CG2-CZ 4.15Å; L246-F287 HydrophobicContact CD2-CB 3.98Å; C280-F287 WeakPolarHBondContact O-CD2 3.48Å; I281-F287 HydrophobicContact CG2-CB 3.97Å; N284-F287 HydrophobicContact CB-CD2 3.45Å; N284-F287 VanDerWaalsContact CB-CD2 3.45Å; N284-F287 HydrophobicContact CB-CE2 3.36Å; N284-F287 HydrophobicContact CB-CG 4.3Å; N284-F287 HydrophobicContact CB-CZ 4.15Å; N284-F287 PolarHBondContact O-N 3.04Å; P285-F287 PolarHBondContact O-N 3.19Å; F287-I289 PolarHBondContact O-N 2.82Å; F287-V290 WeakPolarHBondContact O-CB 3.35Å; F287-V290 PolarHBondContact O-N 3.24Å
288G83.8Confident89.8Confident1 Ų138.9 Ų38.91%0.0121%0.21CC..Hα-helixtrans-55.5-35.2177.300000113P285 V290 L291 S292 N331P285-G288 PolarHBondContact O-N 3.19Å; G288-V290 PolarHBondContact O-N 3.41Å; G288-L291 WeakPolarHBondContact O-CA 3.39Å; G288-L291 WeakPolarHBondContact O-CB 3.18Å; G288-L291 PolarHBondContact O-N 3.33Å; G288-S292 PolarHBondContact O-N 2.96Å; G288-N331 PolarHBondContact O-ND2 3.49Å
289I87.1Confident89.9Confident93 Ų9339.8 Ų39.848%0.47721%0.213SC..Hα-helixtrans-64.7-19.2177.6-159.4170.2000113.9F287 L291 S292 E330F287-I289 PolarHBondContact O-N 2.82Å; I289-L291 VanDerWaalsContact C-N 3.33Å; I289-S292 PolarHBondContact O-OG 3.11Å; I289-E330 WeakPolarHBondContact CD1-OE1 3.4Å
290V90.3Very high90.1Very high30 Ų3038.9 Ų38.918%0.18221%0.205CC..Hα-helixtrans-75.1-28.4171.8-176.80000110.8L246 F287 G288 Y294L246-V290 HydrophobicContact CB-CG1 4.24Å; L246-V290 HydrophobicContact CD2-CB 3.89Å; L246-V290 HydrophobicContact CD2-CG1 4.05Å; L246-V290 HydrophobicContact CD2-CG2 4.39Å; L246-V290 HydrophobicContact CG-CB 4.45Å; L246-V290 HydrophobicContact CG-CG1 4.11Å; F287-V290 WeakPolarHBondContact O-CB 3.35Å; F287-V290 PolarHBondContact O-N 3.24Å; G288-V290 PolarHBondContact O-N 3.41Å; V290-Y294 WeakPolarHBondContact O-CD2 3.42Å
291L92.6Very high90.3Very high0 Ų039 Ų390%021%0.205CC..Hα-helixtrans-82.8-29.1-178.9-56.1-177000112.7L246 S250 V277 I281 G288 I289 K293 Y294 H295 I296 C324L246-L291 HydrophobicContact CD1-CD2 3.84Å; L246-L291 HydrophobicContact CD2-CD2 4.2Å; L246-L291 HydrophobicContact CG-CD2 3.84Å; S250-L291 VanDerWaalsContact OG-CD2 3.28Å; S250-L291 WeakPolarHBondContact OG-CD2 3.13Å; V277-L291 HydrophobicContact CG1-CD1 3.74Å; V277-L291 HydrophobicContact CG1-CD2 3.99Å; I281-L291 HydrophobicContact CD1-CD1 3.85Å; I281-L291 HydrophobicContact CG2-CD1 3.95Å; G288-L291 WeakPolarHBondContact O-CA 3.39Å; G288-L291 WeakPolarHBondContact O-CB 3.18Å; G288-L291 PolarHBondContact O-N 3.33Å; I289-L291 VanDerWaalsContact C-N 3.33Å; L291-K293 VanDerWaalsContact C-N 3.31Å; L291-K293 PolarHBondContact O-N 3.09Å; L291-Y294 PolarHBondContact O-N 2.99Å; L291-Y294 VanDerWaalsContact O-N 3.08Å; L291-H295 PolarHBondContact O-N 3.1Å; L291-I296 HydrophobicContact CB-CB 4.08Å; L291-I296 HydrophobicContact CB-CG1 4.11Å; L291-I296 HydrophobicContact CD2-CG1 4.28Å; L291-I296 WeakPolarHBondContact O-CG1 3.27Å; L291-I296 PolarHBondContact O-N 2.79Å; L291-C324 WeakPolarHBondContact CD1-SG 3.2Å
292S90.9Very high90.4Very high27 Ų2740.5 Ų40.519%0.18922%0.218CC..Hα-helixtrans-61.2-40.1177.467.50000112G288 I289 Y294 H295 N331G288-S292 PolarHBondContact O-N 2.96Å; I289-S292 PolarHBondContact O-OG 3.11Å; S292-Y294 PolarHBondContact O-N 3.04Å; S292-H295 PolarHBondContact O-N 3.02Å; S292-N331 VanDerWaalsContact CA-OD1 3.25Å; S292-N331 WeakPolarHBondContact CA-OD1 3.08Å; S292-N331 VanDerWaalsContact CB-OD1 3.22Å; S292-N331 WeakPolarHBondContact CB-OD1 3.44Å; S292-N331 PolarHBondContact N-OD1 3.02Å
293K93.3Very high90.6Very high126 Ų12639.6 Ų39.655%0.54821%0.21SC..THydrogen-bonded Turntrans-50.3-26.4171.7173.7-173.8167-165.90114.4D247 L291D247-K293 IonicContact OD1-NZ 2.65Å; D247-K293 PolarHBondContact OD1-NZ 2.78Å; L291-K293 VanDerWaalsContact C-N 3.31Å; L291-K293 PolarHBondContact O-N 3.09Å
294Y94.8Very high91.1Very high48 Ų4834.6 Ų34.619%0.18818%0.183CC..THydrogen-bonded Turntrans-112.510-178.8-65.7-78.7000112.9D247 S250 Q251 V290 L291 S292 I296D247-Y294 HydrophobicContact CB-CE2 4.08Å; D247-Y294 PolarHBondContact OD1-OH 2.95Å; S250-Y294 VanDerWaalsContact CB-CD2 3.48Å; Q251-Y294 HydrophobicContact CG-CD1 4.24Å; Q251-Y294 HydrophobicContact CG-CE1 3.62Å; Q251-Y294 PolarHBondContact NE2-OH 2.97Å; V290-Y294 WeakPolarHBondContact O-CD2 3.42Å; L291-Y294 PolarHBondContact O-N 2.99Å; L291-Y294 VanDerWaalsContact O-N 3.08Å; S292-Y294 PolarHBondContact O-N 3.04Å; Y294-I296 PolarHBondContact O-N 3.39Å
295H93.6Very high91.3Very high109 Ų10939.3 Ų39.351%0.50521%0.208SC..THydrogen-bonded Turntrans49.837.1-177.4-61.4-80.8000113.7L291 S292 V297 S298 K299 D334L291-H295 PolarHBondContact O-N 3.1Å; S292-H295 PolarHBondContact O-N 3.02Å; H295-V297 PolarHBondContact O-N 3.41Å; H295-S298 PolarHBondContact O-N 2.95Å; H295-S298 VanDerWaalsContact O-N 3.15Å; H295-S298 PolarHBondContact O-OG 3.23Å; H295-K299 PolarHBondContact O-N 3.43Å; H295-D334 IonicContact ND1-OD1 3.96Å
296I96.1Very high91.8Very high0 Ų040.2 Ų40.20%021%0.209CC..Hα-helixtrans-62.5-28-171.9-62.9-61.3000112.4L253 V254 L291 Y294 K299 L300L253-I296 HydrophobicContact CD2-CD1 4.39Å; L253-I296 HydrophobicContact CD2-CG2 3.97Å; V254-I296 HydrophobicContact CG2-CD1 3.84Å; L291-I296 HydrophobicContact CB-CB 4.08Å; L291-I296 HydrophobicContact CB-CG1 4.11Å; L291-I296 HydrophobicContact CD2-CG1 4.28Å; L291-I296 WeakPolarHBondContact O-CG1 3.27Å; L291-I296 PolarHBondContact O-N 2.79Å; Y294-I296 PolarHBondContact O-N 3.39Å; I296-K299 PolarHBondContact O-N 3.17Å; I296-L300 HydrophobicContact CG2-CD1 3.87Å; I296-L300 HydrophobicContact CG2-CG 4.04Å; I296-L300 WeakPolarHBondContact O-CB 3.29Å; I296-L300 VanDerWaalsContact O-CG 3.29Å; I296-L300 WeakPolarHBondContact O-CG 3.28Å; I296-L300 PolarHBondContact O-N 3Å
297V94.9Very high91.8Very high0 Ų044.2 Ų44.20%022%0.22CC..Hα-helixtrans-63.9-49175.2171.30000111.2H295 K299 L300 L301 L321 C324 N331 D334 L335H295-V297 PolarHBondContact O-N 3.41Å; V297-K299 PolarHBondContact O-N 2.85Å; V297-L300 PolarHBondContact O-N 3.38Å; V297-L301 HydrophobicContact CG1-CD1 4.42Å; V297-L301 WeakPolarHBondContact O-CG 3.3Å; V297-L301 PolarHBondContact O-N 3.3Å; V297-L321 HydrophobicContact CB-CD2 4.38Å; V297-L321 HydrophobicContact CG1-CD2 3.91Å; V297-L321 HydrophobicContact CG2-CD2 4.45Å; V297-C324 HydrophobicContact CG2-CB 3.98Å; V297-N331 HydrophobicContact CG2-CB 3.85Å; V297-D334 HydrophobicContact CB-CB 4.21Å; V297-D334 WeakPolarHBondContact CB-OD2 3.3Å; V297-D334 HydrophobicContact CG1-CB 4.41Å; V297-L335 HydrophobicContact CG1-CB 3.74Å; V297-L335 HydrophobicContact CG1-CD1 3.65Å; V297-L335 HydrophobicContact CG1-CG 4.31Å
298S94.1Very high91.7Very high24 Ų2445.6 Ų45.617%0.16823%0.233CC..Hα-helixtrans-53.3-40171.578.20000112.9H295 L301 A302 D334 N338H295-S298 PolarHBondContact O-N 2.95Å; H295-S298 VanDerWaalsContact O-N 3.15Å; H295-S298 PolarHBondContact O-OG 3.23Å; S298-L301 PolarHBondContact O-N 3.44Å; S298-A302 PolarHBondContact O-N 3.15Å; S298-D334 PolarHBondContact N-OD2 2.78Å; S298-N338 WeakPolarHBondContact CB-ND2 3.49Å
299K96.1Very high92Very high46 Ų4646 Ų4620%0.224%0.235CC..Hα-helixtrans-72.2-38.6-178.2-63.2-73162.7-168.40113V254 E257 H295 I296 V297 A302 L303V254-K299 HydrophobicContact CG2-CG 4.26Å; E257-K299 HydrophobicContact CB-CD 4.23Å; E257-K299 HydrophobicContact CG-CB 4.35Å; E257-K299 HydrophobicContact CG-CD 3.81Å; E257-K299 WeakPolarHBondContact OE1-CD 3.5Å; E257-K299 IonicContact OE1-NZ 2.79Å; E257-K299 PolarHBondContact OE1-NZ 3.02Å; E257-K299 WeakPolarHBondContact OE2-CD 3.28Å; E257-K299 WeakPolarHBondContact OE2-CE 3.48Å; E257-K299 IonicContact OE2-NZ 3.16Å; E257-K299 PolarHBondContact OE2-NZ 3.29Å; H295-K299 PolarHBondContact O-N 3.43Å; I296-K299 PolarHBondContact O-N 3.17Å; V297-K299 PolarHBondContact O-N 2.85Å; K299-A302 PolarHBondContact O-N 3.42Å; K299-L303 WeakPolarHBondContact O-CG 3.1Å; K299-L303 PolarHBondContact O-N 2.93Å
300L96.3Very high92.1Very high1 Ų145.5 Ų45.51%0.00523%0.233CC..Hα-helixtrans-67.1-36.4172.8-70.9172.9000111.7L253 T274 I296 V297 L303 L304 I317 T320 L321L253-L300 HydrophobicContact CD2-CD2 4.22Å; T274-L300 HydrophobicContact CG2-CD2 3.47Å; T274-L300 VanDerWaalsContact CG2-CD2 3.47Å; T274-L300 WeakPolarHBondContact OG1-CD2 3.48Å; I296-L300 HydrophobicContact CG2-CD1 3.87Å; I296-L300 HydrophobicContact CG2-CG 4.04Å; I296-L300 WeakPolarHBondContact O-CB 3.29Å; I296-L300 VanDerWaalsContact O-CG 3.29Å; I296-L300 WeakPolarHBondContact O-CG 3.28Å; I296-L300 PolarHBondContact O-N 3Å; V297-L300 PolarHBondContact O-N 3.38Å; L300-L303 PolarHBondContact O-N 2.8Å; L300-L304 WeakPolarHBondContact O-CB 3.4Å; L300-L304 PolarHBondContact O-N 3.43Å; L300-I317 HydrophobicContact CB-CG2 4.07Å; L300-I317 HydrophobicContact CD2-CG2 4.17Å; L300-I317 VanDerWaalsContact O-CG2 3.23Å; L300-I317 WeakPolarHBondContact O-CG2 3.41Å; L300-T320 HydrophobicContact CD1-CG2 3.93Å; L300-L321 HydrophobicContact CB-CD1 4.3Å; L300-L321 HydrophobicContact CB-CD2 3.62Å; L300-L321 HydrophobicContact CB-CG 3.81Å; L300-L321 HydrophobicContact CD1-CD2 4.02Å; L300-L321 HydrophobicContact CD1-CG 4.14Å; L300-L321 HydrophobicContact CG-CD2 4.49Å
301L94.6Very high91.9Very high5 Ų547.3 Ų47.33%0.02625%0.247CC..Hα-helixtrans-65.5-41.8173.1-68.2173.4000112.3V297 S298 L304 L305 L321 L335 N338 L343 M344V297-L301 HydrophobicContact CG1-CD1 4.42Å; V297-L301 WeakPolarHBondContact O-CG 3.3Å; V297-L301 PolarHBondContact O-N 3.3Å; S298-L301 PolarHBondContact O-N 3.44Å; L301-L304 PolarHBondContact O-N 3.04Å; L301-L305 PolarHBondContact O-N 3.49Å; L301-L321 HydrophobicContact CD2-CD1 3.82Å; L301-L321 HydrophobicContact CD2-CD2 4.47Å; L301-L321 HydrophobicContact CG-CD1 4.45Å; L301-L321 HydrophobicContact CG-CD2 4.4Å; L301-L335 HydrophobicContact CD1-CD1 4.12Å; L301-L335 HydrophobicContact CD2-CD1 4.06Å; L301-L335 HydrophobicContact CG-CD1 4.34Å; L301-N338 HydrophobicContact CD1-CB 3.71Å; L301-L343 HydrophobicContact CD2-CD1 4.24Å; L301-M344 HydrophobicContact CD2-CE 4.2Å
302A93.6Very high91.7Very high32 Ų3248.7 Ų48.726%0.26426%0.261SS..Hα-helixtrans-60.7-43.5174.500000112.2E257 S298 K299 L305E257-A302 HydrophobicContact CG-CB 4.29Å; E257-A302 WeakPolarHBondContact OE1-CB 3.34Å; S298-A302 PolarHBondContact O-N 3.15Å; K299-A302 PolarHBondContact O-N 3.42Å; A302-L305 PolarHBondContact O-N 3.12Å
303L93.6Very high91.8Very high0 Ų048.5 Ų48.50%026%0.257CS..Hα-helixtrans-65-37.2174.3-72.1168.6000112.9L253 E257 A270 K299 L300 L305 H306 L309 I317L253-L303 HydrophobicContact CD1-CD1 3.86Å; E257-L303 HydrophobicContact CB-CD1 4.2Å; E257-L303 HydrophobicContact CB-CD2 4.18Å; E257-L303 HydrophobicContact CB-CG 4.1Å; E257-L303 HydrophobicContact CG-CD2 4.24Å; E257-L303 HydrophobicContact CG-CG 3.96Å; A270-L303 HydrophobicContact CB-CD1 3.81Å; A270-L303 HydrophobicContact CB-CD2 3.85Å; K299-L303 WeakPolarHBondContact O-CG 3.1Å; K299-L303 PolarHBondContact O-N 2.93Å; L300-L303 PolarHBondContact O-N 2.8Å; L303-L305 VanDerWaalsContact C-N 3.25Å; L303-L305 PolarHBondContact O-N 3.01Å; L303-H306 WeakPolarHBondContact O-CB 3.43Å; L303-H306 PolarHBondContact O-N 3.21Å; L303-H306 VanDerWaalsContact O-N 3.08Å; L303-L309 WeakPolarHBondContact O-CD1 2.99Å; L303-I317 HydrophobicContact CB-CD1 3.88Å
304L92.2Very high91.8Very high21 Ų2144.7 Ų44.711%0.1124%0.241CC..Hα-helixtrans-62.1-34180-172.163.5000112.6L300 L301 H306 K314 I317 L321 M344L300-L304 WeakPolarHBondContact O-CB 3.4Å; L300-L304 PolarHBondContact O-N 3.43Å; L301-L304 PolarHBondContact O-N 3.04Å; L304-H306 VanDerWaalsContact C-N 3.26Å; L304-H306 PolarHBondContact O-N 3.48Å; L304-K314 HydrophobicContact CD1-CB 3.83Å; L304-K314 HydrophobicContact CD1-CD 4.44Å; L304-K314 HydrophobicContact CD1-CG 4.08Å; L304-K314 VanDerWaalsContact O-CE 3.27Å; L304-K314 WeakPolarHBondContact O-CE 3.37Å; L304-K314 PolarHBondContact O-NZ 2.94Å; L304-I317 HydrophobicContact CB-CG2 4.03Å; L304-I317 HydrophobicContact CD1-CB 4.38Å; L304-I317 HydrophobicContact CD1-CG2 4.21Å; L304-L321 HydrophobicContact CD2-CD1 4.39Å; L304-M344 HydrophobicContact CD2-CE 3.54Å
305L90.1Very high91.7Very high107 Ų10743.6 Ų43.656%0.5624%0.237SC*.THydrogen-bonded Turntrans-71.7-14.4176.2-71.1172.1000113.8L301 A302 L303 E307 L343L301-L305 PolarHBondContact O-N 3.49Å; A302-L305 PolarHBondContact O-N 3.12Å; L303-L305 VanDerWaalsContact C-N 3.25Å; L303-L305 PolarHBondContact O-N 3.01Å; L305-E307 PolarHBondContact O-N 3.34Å; L305-E307 VanDerWaalsContact O-N 3.16Å; L305-L343 HydrophobicContact CD1-CD1 4.28Å; L305-L343 HydrophobicContact CD2-CD1 4.19Å; L305-L343 HydrophobicContact CD2-CD2 3.78Å; L305-L343 HydrophobicContact CG-CD1 4.24Å
306H89Confident91.7Very high51 Ų5139 Ų3924%0.23622%0.217CC..  trans-64.5116.5-177.2-154.5-56.6000110.6S260 L303 L304 S308 L309 K314S260-H306 PolarHBondContact O-NE2 3.46Å; L303-H306 WeakPolarHBondContact O-CB 3.43Å; L303-H306 PolarHBondContact O-N 3.21Å; L303-H306 VanDerWaalsContact O-N 3.08Å; L304-H306 VanDerWaalsContact C-N 3.26Å; L304-H306 PolarHBondContact O-N 3.48Å; H306-S308 PolarHBondContact CE1-OG 2.92Å; H306-S308 PolarHBondContact ND1-OG 3.23Å; H306-S308 PolarHBondContact O-N 3.16Å; H306-L309 HydrophobicContact CB-CD1 4.13Å; H306-L309 HydrophobicContact CB-CG 4.14Å; H306-L309 PolarHBondContact O-N 2.88Å; H306-K314 WeakPolarHBondContact O-CE 3.18Å; H306-K314 PolarHBondContact O-NZ 1.89Å
307E84.3Confident91.6Very high188 Ų18839 Ų3988%0.87922%0.217SC*.THydrogen-bonded Turntrans-61.1-29.3-171.2-63.7-172.5161.500113.1L305 L309L305-E307 PolarHBondContact O-N 3.34Å; L305-E307 VanDerWaalsContact O-N 3.16Å; E307-L309 PolarHBondContact O-N 3.44Å
308S85.1Confident91.6Very high48 Ų4839 Ų3934%0.33622%0.217SC..THydrogen-bonded Turntrans-82.6-7.5-171.371.20000115.7L264 H306L264-S308 WeakPolarHBondContact CD1-OG 3.3Å; H306-S308 PolarHBondContact CE1-OG 2.92Å; H306-S308 PolarHBondContact ND1-OG 3.23Å; H306-S308 PolarHBondContact O-N 3.16Å
309L89.2Confident91.6Very high10 Ų1039.9 Ų39.95%0.05222%0.219CC..SBendtrans-84136.1179.5-62.5-177.5000111.2A267 K268 V271 L303 H306 E307 E313 K314 I317A267-L309 HydrophobicContact CB-CD2 4.28Å; K268-L309 HydrophobicContact CG-CD2 3.97Å; V271-L309 HydrophobicContact CG2-CD1 3.86Å; V271-L309 HydrophobicContact CG2-CD2 4.09Å; L303-L309 WeakPolarHBondContact O-CD1 2.99Å; H306-L309 HydrophobicContact CB-CD1 4.13Å; H306-L309 HydrophobicContact CB-CG 4.14Å; H306-L309 PolarHBondContact O-N 2.88Å; E307-L309 PolarHBondContact O-N 3.44Å; L309-E313 VanDerWaalsContact CA-OE2 3.29Å; L309-E313 WeakPolarHBondContact CA-OE2 3.26Å; L309-E313 HydrophobicContact CB-CB 4.1Å; L309-E313 HydrophobicContact CD2-CB 4.49Å; L309-E313 WeakPolarHBondContact CD2-OE2 3.42Å; L309-K314 HydrophobicContact CB-CG 4.02Å; L309-K314 VanDerWaalsContact O-CE 3.28Å; L309-K314 WeakPolarHBondContact O-CE 3.31Å; L309-I317 HydrophobicContact CD1-CD1 3.66Å
310D90Very high91.5Very high83 Ų8337.7 Ų37.744%0.44421%0.21SC..  trans-75.9171.3179.871.558.8000112.9G312 E313 K314D310-G312 VanDerWaalsContact C-N 3.26Å; D310-G312 PolarHBondContact O-N 3.43Å; D310-G312 WeakPolarHBondContact OD1-CA 3.37Å; D310-G312 PolarHBondContact OD1-N 2.85Å; D310-E313 PolarHBondContact N-OE2 3.39Å; D310-E313 PolarHBondContact O-N 2.65Å; D310-E313 PolarHBondContact OD1-N 2.88Å; D310-K314 WeakPolarHBondContact O-CB 3.35Å; D310-K314 WeakPolarHBondContact O-CG 3.15Å; D310-K314 PolarHBondContact O-N 3.46Å
311S86.4Confident91.5Very high67 Ų6737.7 Ų37.747%0.46921%0.21SC..Hα-helixtrans-66.7-23.6-176.155.20000114F315S311-F315 VanDerWaalsContact O-CB 3.26Å; S311-F315 WeakPolarHBondContact O-CB 3.04Å; S311-F315 PolarHBondContact O-N 3.03Å
312G88.3Confident91.4Very high29 Ų2937.4 Ų37.430%0.29921%0.209SC..Hα-helixtrans-80.6-38.2173.100000112.1D310 F315 S316D310-G312 VanDerWaalsContact C-N 3.26Å; D310-G312 PolarHBondContact O-N 3.43Å; D310-G312 WeakPolarHBondContact OD1-CA 3.37Å; D310-G312 PolarHBondContact OD1-N 2.85Å; G312-F315 PolarHBondContact O-N 3.05Å; G312-S316 PolarHBondContact O-N 2.95Å; G312-S316 PolarHBondContact O-OG 3.44Å
313E92.9Very high91.3Very high24 Ų2437.3 Ų37.311%0.11220%0.203CC..Hα-helixtrans-61.5-46.3170.4-69176.3146.600111.2K268 V271 L309 D310 S316 I317K268-E313 WeakPolarHBondContact CG-OE1 3.28Å; K268-E313 IonicContact NZ-OE1 3.71Å; K268-E313 PolarHBondContact NZ-OE1 3.22Å; K268-E313 IonicContact NZ-OE2 2.68Å; K268-E313 PolarHBondContact NZ-OE2 2.92Å; V271-E313 HydrophobicContact CG1-CB 4.07Å; V271-E313 HydrophobicContact CG1-CG 4.13Å; V271-E313 HydrophobicContact CG2-CB 4.29Å; L309-E313 VanDerWaalsContact CA-OE2 3.29Å; L309-E313 WeakPolarHBondContact CA-OE2 3.26Å; L309-E313 HydrophobicContact CB-CB 4.1Å; L309-E313 HydrophobicContact CD2-CB 4.49Å; L309-E313 WeakPolarHBondContact CD2-OE2 3.42Å; D310-E313 PolarHBondContact N-OE2 3.39Å; D310-E313 PolarHBondContact O-N 2.65Å; D310-E313 PolarHBondContact OD1-N 2.88Å; E313-S316 WeakPolarHBondContact O-CB 3.34Å; E313-S316 PolarHBondContact O-N 3.19Å; E313-I317 PolarHBondContact O-N 2.7Å; E313-I317 VanDerWaalsContact O-N 3.16Å
314K92.6Very high91.3Very high46 Ų4637.3 Ų37.320%0.220%0.203CC..Hα-helixtrans-66.5-36.5175.2-69-172179.4-166.30113.1L304 H306 L309 D310 S316 I317 M318 L356L304-K314 HydrophobicContact CD1-CB 3.83Å; L304-K314 HydrophobicContact CD1-CD 4.44Å; L304-K314 HydrophobicContact CD1-CG 4.08Å; L304-K314 VanDerWaalsContact O-CE 3.27Å; L304-K314 WeakPolarHBondContact O-CE 3.37Å; L304-K314 PolarHBondContact O-NZ 2.94Å; H306-K314 WeakPolarHBondContact O-CE 3.18Å; H306-K314 PolarHBondContact O-NZ 1.89Å; L309-K314 HydrophobicContact CB-CG 4.02Å; L309-K314 VanDerWaalsContact O-CE 3.28Å; L309-K314 WeakPolarHBondContact O-CE 3.31Å; D310-K314 WeakPolarHBondContact O-CB 3.35Å; D310-K314 WeakPolarHBondContact O-CG 3.15Å; D310-K314 PolarHBondContact O-N 3.46Å; K314-S316 VanDerWaalsContact C-N 3.28Å; K314-S316 PolarHBondContact O-N 2.83Å; K314-I317 PolarHBondContact O-N 3.04Å; K314-M318 WeakPolarHBondContact O-CB 3.47Å; K314-M318 PolarHBondContact O-N 2.81Å; K314-L356 HydrophobicContact CB-CD2 4.2Å
315F92.4Very high91.2Very high25 Ų2536.3 Ų36.311%0.1120%0.197CC..Hα-helixtrans-59.6-41.8171.7168.2-97.2000111.6S311 G312 I317 M318 L319 E355 L356 A359 T581S311-F315 VanDerWaalsContact O-CB 3.26Å; S311-F315 WeakPolarHBondContact O-CB 3.04Å; S311-F315 PolarHBondContact O-N 3.03Å; G312-F315 PolarHBondContact O-N 3.05Å; F315-I317 PolarHBondContact O-N 2.94Å; F315-M318 PolarHBondContact O-N 3.4Å; F315-L319 HydrophobicContact CE1-CD2 4.17Å; F315-L319 HydrophobicContact CZ-CD2 4.22Å; F315-L319 WeakPolarHBondContact O-CB 3.37Å; F315-L319 PolarHBondContact O-N 3.32Å; F315-E355 HydrophobicContact CD2-CB 3.87Å; F315-E355 VanDerWaalsContact CD2-O 3.31Å; F315-E355 WeakPolarHBondContact CD2-O 3.33Å; F315-E355 HydrophobicContact CE2-CB 3.89Å; F315-E355 VanDerWaalsContact CE2-O 3.3Å; F315-E355 WeakPolarHBondContact CE2-O 3.37Å; F315-L356 VanDerWaalsContact CA-CD2 3.49Å; F315-L356 HydrophobicContact CB-CD2 3.82Å; F315-L356 HydrophobicContact CB-CG 4.34Å; F315-A359 HydrophobicContact CD2-CB 3.88Å; F315-A359 HydrophobicContact CE2-CB 3.86Å; F315-T581 HydrophobicContact CD1-CG2 4.5Å; F315-T581 HydrophobicContact CE1-CG2 3.97Å
316S93.3Very high91.2Very high12 Ų1234 Ų348%0.08418%0.184CC..Hα-helixtrans-64.4-42.5-179.7-51.20000112K275 G312 E313 K314 T320K275-S316 WeakPolarHBondContact CE-OG 3.24Å; K275-S316 PolarHBondContact NZ-OG 3.33Å; G312-S316 PolarHBondContact O-N 2.95Å; G312-S316 PolarHBondContact O-OG 3.44Å; E313-S316 WeakPolarHBondContact O-CB 3.34Å; E313-S316 PolarHBondContact O-N 3.19Å; K314-S316 VanDerWaalsContact C-N 3.28Å; K314-S316 PolarHBondContact O-N 2.83Å; S316-T320 PolarHBondContact O-N 3.15Å; S316-T320 VanDerWaalsContact O-N 3.17Å; S316-T320 PolarHBondContact O-OG1 3.04Å
317I95.6Very high91Very high0 Ų037.3 Ų37.30%020%0.203CC..Hα-helixtrans-60.2-46.1173.3-67165.1000110.8V271 T274 L300 L303 L304 L309 E313 K314 F315 T320 L321V271-I317 HydrophobicContact CG2-CD1 4.03Å; V271-I317 HydrophobicContact CG2-CG1 4.34Å; T274-I317 HydrophobicContact CG2-CG1 4.35Å; L300-I317 HydrophobicContact CB-CG2 4.07Å; L300-I317 HydrophobicContact CD2-CG2 4.17Å; L300-I317 VanDerWaalsContact O-CG2 3.23Å; L300-I317 WeakPolarHBondContact O-CG2 3.41Å; L303-I317 HydrophobicContact CB-CD1 3.88Å; L304-I317 HydrophobicContact CB-CG2 4.03Å; L304-I317 HydrophobicContact CD1-CB 4.38Å; L304-I317 HydrophobicContact CD1-CG2 4.21Å; L309-I317 HydrophobicContact CD1-CD1 3.66Å; E313-I317 PolarHBondContact O-N 2.7Å; E313-I317 VanDerWaalsContact O-N 3.16Å; K314-I317 PolarHBondContact O-N 3.04Å; F315-I317 PolarHBondContact O-N 2.94Å; I317-T320 PolarHBondContact O-N 3.01Å; I317-L321 HydrophobicContact CG2-CD1 4.29Å; I317-L321 PolarHBondContact O-N 3.38Å
318M93.9Very high91.1Very high1 Ų128.6 Ų28.61%0.00516%0.163CC..Hα-helixtrans-74.9-30.4-174.6-165156.353.400113.5K314 F315 L321 G322 M344 A347 L356 A359 A360 V363K314-M318 WeakPolarHBondContact O-CB 3.47Å; K314-M318 PolarHBondContact O-N 2.81Å; F315-M318 PolarHBondContact O-N 3.4Å; M318-L321 PolarHBondContact O-N 2.94Å; M318-G322 PolarHBondContact O-N 3.33Å; M318-G322 VanDerWaalsContact O-N 3.1Å; M318-M344 HydrophobicContact CG-CE 4.22Å; M318-M344 HydrophobicContact CG-SD 3.7Å; M318-M344 HydrophobicContact SD-CE 3.82Å; M318-M344 HydrophobicContact SD-SD 3.5Å; M318-A347 HydrophobicContact CE-CB 4.38Å; M318-A347 HydrophobicContact SD-CB 4.25Å; M318-L356 HydrophobicContact CE-CB 4.03Å; M318-L356 HydrophobicContact CE-CD2 3.44Å; M318-L356 VanDerWaalsContact CE-CD2 3.44Å; M318-L356 HydrophobicContact CE-CG 4.36Å; M318-L356 WeakPolarHBondContact CE-O 3.29Å; M318-A359 HydrophobicContact CB-CB 4.18Å; M318-A359 HydrophobicContact CE-CB 4.17Å; M318-A359 HydrophobicContact CG-CB 4.07Å; M318-A360 HydrophobicContact CE-CB 3.95Å; M318-A360 HydrophobicContact SD-CB 3.67Å; M318-V363 HydrophobicContact CG-CG2 4.22Å; M318-V363 WeakPolarHBondContact O-CG2 3.4Å
319L94Very high91.2Very high41 Ų4131.2 Ų31.222%0.21517%0.17CC..Hα-helixtrans-62.7-44.2167.8-178.561.9000111F315 L321 G322 H323F315-L319 HydrophobicContact CE1-CD2 4.17Å; F315-L319 HydrophobicContact CZ-CD2 4.22Å; F315-L319 WeakPolarHBondContact O-CB 3.37Å; F315-L319 PolarHBondContact O-N 3.32Å; L319-L321 PolarHBondContact O-N 2.94Å; L319-G322 WeakPolarHBondContact O-CA 3.26Å; L319-G322 PolarHBondContact O-N 3.18Å; L319-H323 PolarHBondContact O-N 3.37Å; L319-H323 VanDerWaalsContact O-N 3.11Å; L319-H323 PolarHBondContact O-ND1 3.43Å
320T95.1Very high91.1Very high1 Ų135.1 Ų35.11%0.00619%0.188CC..Hα-helixtrans-64.9-40.3177.3-45.60000111.3T274 V277 D278 I281 L300 S316 I317 G322 H323 C324T274-T320 HydrophobicContact CG2-CG2 4.07Å; T274-T320 WeakPolarHBondContact CG2-OG1 3.39Å; V277-T320 HydrophobicContact CG1-CG2 4.33Å; D278-T320 HydrophobicContact CB-CG2 4.13Å; D278-T320 VanDerWaalsContact OD1-CA 3.3Å; D278-T320 WeakPolarHBondContact OD1-CA 3.34Å; I281-T320 HydrophobicContact CD1-CG2 4.33Å; L300-T320 HydrophobicContact CD1-CG2 3.93Å; S316-T320 PolarHBondContact O-N 3.15Å; S316-T320 VanDerWaalsContact O-N 3.17Å; S316-T320 PolarHBondContact O-OG1 3.04Å; I317-T320 PolarHBondContact O-N 3.01Å; T320-G322 PolarHBondContact O-N 3.12Å; T320-H323 PolarHBondContact O-N 2.73Å; T320-C324 VanDerWaalsContact O-CB 3.28Å; T320-C324 WeakPolarHBondContact O-CB 3.4Å; T320-C324 PolarHBondContact O-N 3.48Å; T320-C324 PolarHBondContact O-SG 3.17Å
321L94.9Very high91.2Very high0 Ų031.2 Ų31.20%017%0.167CC..Hα-helixtrans-57.3-34.5170.4-78.1169.5000112.3V297 L300 L301 L304 I317 M318 L319 T325 L335 M344 V363V297-L321 HydrophobicContact CB-CD2 4.38Å; V297-L321 HydrophobicContact CG1-CD2 3.91Å; V297-L321 HydrophobicContact CG2-CD2 4.45Å; L300-L321 HydrophobicContact CB-CD1 4.3Å; L300-L321 HydrophobicContact CB-CD2 3.62Å; L300-L321 HydrophobicContact CB-CG 3.81Å; L300-L321 HydrophobicContact CD1-CD2 4.02Å; L300-L321 HydrophobicContact CD1-CG 4.14Å; L300-L321 HydrophobicContact CG-CD2 4.49Å; L301-L321 HydrophobicContact CD2-CD1 3.82Å; L301-L321 HydrophobicContact CD2-CD2 4.47Å; L301-L321 HydrophobicContact CG-CD1 4.45Å; L301-L321 HydrophobicContact CG-CD2 4.4Å; L304-L321 HydrophobicContact CD2-CD1 4.39Å; I317-L321 HydrophobicContact CG2-CD1 4.29Å; I317-L321 PolarHBondContact O-N 3.38Å; M318-L321 PolarHBondContact O-N 2.94Å; L319-L321 PolarHBondContact O-N 2.94Å; L321-T325 WeakPolarHBondContact O-CB 3.35Å; L321-T325 WeakPolarHBondContact O-CG2 3.25Å; L321-T325 PolarHBondContact O-N 2.85Å; L321-T325 VanDerWaalsContact O-N 3.16Å; L321-T325 PolarHBondContact O-OG1 3.33Å; L321-L335 HydrophobicContact CD2-CD1 4.02Å; L321-M344 HydrophobicContact CD1-CE 4.12Å; L321-V363 HydrophobicContact CB-CG2 3.96Å
322G92.7Very high91.3Very high0 Ų028.5 Ų28.50%015%0.147CC..Hα-helixtrans-62-59.1174.400000111.7M318 L319 T320 C324 T325 E326 N366M318-G322 PolarHBondContact O-N 3.33Å; M318-G322 VanDerWaalsContact O-N 3.1Å; L319-G322 WeakPolarHBondContact O-CA 3.26Å; L319-G322 PolarHBondContact O-N 3.18Å; T320-G322 PolarHBondContact O-N 3.12Å; G322-C324 VanDerWaalsContact C-N 3.3Å; G322-C324 PolarHBondContact O-N 3.28Å; G322-T325 PolarHBondContact O-N 2.74Å; G322-T325 VanDerWaalsContact O-N 3.07Å; G322-T325 PolarHBondContact O-OG1 3.36Å; G322-E326 PolarHBondContact O-N 3.03Å; G322-E326 VanDerWaalsContact O-N 3.1Å; G322-N366 PolarHBondContact O-ND2 2.75Å
323H92.5Very high91.1Very high30 Ų3031.5 Ų31.514%0.13915%0.15CC..Hα-helixtrans-64.8-31.2179-56.8131.5000113D278 I281 L319 T320 T325 E326 F362D278-H323 IonicContact OD1-CE1 3.56Å; D278-H323 IonicContact OD1-CG 3.8Å; D278-H323 IonicContact OD1-ND1 3.46Å; D278-H323 PolarHBondContact OD1-ND1 2.73Å; D278-H323 IonicContact OD2-ND1 3.19Å; I281-H323 HydrophobicContact CD1-CB 3.72Å; I281-H323 HydrophobicContact CG1-CB 3.78Å; L319-H323 PolarHBondContact O-N 3.37Å; L319-H323 VanDerWaalsContact O-N 3.11Å; L319-H323 PolarHBondContact O-ND1 3.43Å; T320-H323 PolarHBondContact O-N 2.73Å; H323-T325 VanDerWaalsContact C-N 3.28Å; H323-T325 PolarHBondContact O-N 2.94Å; H323-E326 IonicContact CD2-OE2 2.8Å; H323-E326 PolarHBondContact O-N 2.65Å; H323-F362 AromaticContact CD2-CE1 3.68Å; H323-F362 AromaticContact CD2-CZ 3.86Å; H323-F362 AromaticContact NE2-CE1 3.92Å
324C93Very high90.8Very high0 Ų031.2 Ų31.20%015%0.149CC..Hα-helixtrans-62-34.8172-76.50000112.7L291 V297 T320 G322 N331L291-C324 WeakPolarHBondContact CD1-SG 3.2Å; V297-C324 HydrophobicContact CG2-CB 3.98Å; T320-C324 VanDerWaalsContact O-CB 3.28Å; T320-C324 WeakPolarHBondContact O-CB 3.4Å; T320-C324 PolarHBondContact O-N 3.48Å; T320-C324 PolarHBondContact O-SG 3.17Å; G322-C324 VanDerWaalsContact C-N 3.3Å; G322-C324 PolarHBondContact O-N 3.28Å; C324-N331 WeakPolarHBondContact O-CB 3.2Å; C324-N331 PolarHBondContact O-ND2 3.39Å
325T91Very high90.7Very high0 Ų029 Ų290%014%0.139CC..Hα-helixtrans-95.5-2-177.353.80000113.4L321 G322 H323 D327 Q332 L335L321-T325 WeakPolarHBondContact O-CB 3.35Å; L321-T325 WeakPolarHBondContact O-CG2 3.25Å; L321-T325 PolarHBondContact O-N 2.85Å; L321-T325 VanDerWaalsContact O-N 3.16Å; L321-T325 PolarHBondContact O-OG1 3.33Å; G322-T325 PolarHBondContact O-N 2.74Å; G322-T325 VanDerWaalsContact O-N 3.07Å; G322-T325 PolarHBondContact O-OG1 3.36Å; H323-T325 VanDerWaalsContact C-N 3.28Å; H323-T325 PolarHBondContact O-N 2.94Å; T325-D327 PolarHBondContact O-N 2.78Å; T325-Q332 HydrophobicContact CG2-CG 4.37Å; T325-Q332 WeakPolarHBondContact O-CG 3.43Å; T325-Q332 PolarHBondContact O-NE2 3.41Å; T325-L335 HydrophobicContact CG2-CB 4.29Å; T325-L335 HydrophobicContact CG2-CD2 4.4Å
326E89.3Confident90.3Very high59 Ų5932 Ų3228%0.27615%0.152SC..THydrogen-bonded Turntrans-70.9116.6175.5-165.6167-163.100110.2P285 G322 H323 C328P285-E326 HydrophobicContact CB-CB 4.22Å; P285-E326 HydrophobicContact CB-CG 4.14Å; P285-E326 WeakPolarHBondContact CB-O 3.48Å; G322-E326 PolarHBondContact O-N 3.03Å; G322-E326 VanDerWaalsContact O-N 3.1Å; H323-E326 IonicContact CD2-OE2 2.8Å; H323-E326 PolarHBondContact O-N 2.65Å; E326-C328 PolarHBondContact O-N 3.34Å
327D84.3Confident90Very high120 Ų12036.6 Ų36.664%0.64217%0.171SC*.THydrogen-bonded Turntrans4528.7-179.1-68.8-23.6000117.2P285 T325 K369P285-D327 HydrophobicContact CB-CB 4.14Å; T325-D327 PolarHBondContact O-N 2.78Å; D327-K369 IonicContact OD1-NZ 3.37Å
328C87.6Confident89.6Confident5 Ų539.5 Ų39.53%0.03419%0.186CC..  trans-122.6104.3173.3177.20000111.1E326 E330 N331 Q332E326-C328 PolarHBondContact O-N 3.34Å; C328-E330 VanDerWaalsContact C-N 3.31Å; C328-E330 PolarHBondContact O-N 3.24Å; C328-E330 PolarHBondContact SG-OE2 3.31Å; C328-N331 HydrophobicContact CB-CB 4.28Å; C328-N331 PolarHBondContact O-N 2.87Å; C328-Q332 VanDerWaalsContact O-CG 3.29Å; C328-Q332 WeakPolarHBondContact O-CG 3.16Å; C328-Q332 PolarHBondContact O-N 3.11Å; C328-Q332 VanDerWaalsContact O-N 3.1Å
329E86.9Confident89.2Confident102 Ų10243.3 Ų43.348%0.47721%0.207SC..Hα-helixtrans-67.5-30.4-173.9-53.7-151.813800112.5Q332 Y333 K373E329-Q332 PolarHBondContact O-N 3Å; E329-Y333 WeakPolarHBondContact O-CB 3.38Å; E329-Y333 PolarHBondContact O-N 2.97Å; E329-K373 VanDerWaalsContact CD-NZ 3.28Å; E329-K373 IonicContact OE1-NZ 2.61Å; E329-K373 PolarHBondContact OE1-NZ 3.29Å; E329-K373 IonicContact OE2-NZ 3.15Å; E329-K373 PolarHBondContact OE2-NZ 2.79Å; E329-K373 VanDerWaalsContact OE2-NZ 3.15Å
330E87.4Confident88.9Confident93 Ų9341.4 Ų41.444%0.43520%0.197SC..Hα-helixtrans-65.9-43.7177.7-55.188.7160.200111.9I289 C328 Y333 D334I289-E330 WeakPolarHBondContact CD1-OE1 3.4Å; C328-E330 VanDerWaalsContact C-N 3.31Å; C328-E330 PolarHBondContact O-N 3.24Å; C328-E330 PolarHBondContact SG-OE2 3.31Å; E330-Y333 PolarHBondContact O-N 2.83Å; E330-D334 PolarHBondContact O-N 3.28Å
331N90.8Very high88.4Confident0 Ų041.6 Ų41.60%020%0.198CC..Hα-helixtrans-72.1-35.1177-76.9-17000111.9G288 S292 V297 C324 C328 Y333 D334 L335G288-N331 PolarHBondContact O-ND2 3.49Å; S292-N331 VanDerWaalsContact CA-OD1 3.25Å; S292-N331 WeakPolarHBondContact CA-OD1 3.08Å; S292-N331 VanDerWaalsContact CB-OD1 3.22Å; S292-N331 WeakPolarHBondContact CB-OD1 3.44Å; S292-N331 PolarHBondContact N-OD1 3.02Å; V297-N331 HydrophobicContact CG2-CB 3.85Å; C324-N331 WeakPolarHBondContact O-CB 3.2Å; C324-N331 PolarHBondContact O-ND2 3.39Å; C328-N331 HydrophobicContact CB-CB 4.28Å; C328-N331 PolarHBondContact O-N 2.87Å; N331-Y333 VanDerWaalsContact C-N 3.32Å; N331-D334 PolarHBondContact O-N 3.43Å; N331-L335 PolarHBondContact O-N 2.89Å
332Q89.1Confident88.1Confident10 Ų1042.5 Ų42.55%0.04720%0.204CC..Hα-helixtrans-63.6-38.2171.9-69.3172.51600111.5T325 C328 E329 F336 I370T325-Q332 HydrophobicContact CG2-CG 4.37Å; T325-Q332 WeakPolarHBondContact O-CG 3.43Å; T325-Q332 PolarHBondContact O-NE2 3.41Å; C328-Q332 VanDerWaalsContact O-CG 3.29Å; C328-Q332 WeakPolarHBondContact O-CG 3.16Å; C328-Q332 PolarHBondContact O-N 3.11Å; C328-Q332 VanDerWaalsContact O-N 3.1Å; E329-Q332 PolarHBondContact O-N 3Å; Q332-F336 PolarHBondContact O-N 3.3Å; Q332-F336 VanDerWaalsContact O-N 3.16Å; Q332-I370 HydrophobicContact CB-CB 4.36Å; Q332-I370 HydrophobicContact CB-CD1 3.85Å; Q332-I370 HydrophobicContact CB-CG2 3.91Å
333Y84.4Confident87.8Confident92 Ų9244 Ų4436%0.36121%0.212SC..Hα-helixtrans-70.4-40.7174.5-177.7-93.9000112.5E329 E330 N331 L335 F336 K337E329-Y333 WeakPolarHBondContact O-CB 3.38Å; E329-Y333 PolarHBondContact O-N 2.97Å; E330-Y333 PolarHBondContact O-N 2.83Å; N331-Y333 VanDerWaalsContact C-N 3.32Å; Y333-L335 VanDerWaalsContact C-N 3.31Å; Y333-L335 PolarHBondContact O-N 3.25Å; Y333-F336 WeakPolarHBondContact O-CB 2.92Å; Y333-F336 PolarHBondContact O-N 3.21Å; Y333-F336 VanDerWaalsContact O-N 3.17Å; Y333-K337 HydrophobicContact CE1-CB 4.44Å; Y333-K337 HydrophobicContact CE1-CD 3.97Å; Y333-K337 WeakPolarHBondContact O-CB 3.19Å; Y333-K337 PolarHBondContact O-N 2.87Å
334D87.1Confident87.8Confident18 Ų1842.6 Ų42.610%0.09621%0.205CC..Hα-helixtrans-62.3-38.1173.8-163.159000111.1H295 V297 S298 E330 N331 F336 K337 N338H295-D334 IonicContact ND1-OD1 3.96Å; V297-D334 HydrophobicContact CB-CB 4.21Å; V297-D334 WeakPolarHBondContact CB-OD2 3.3Å; V297-D334 HydrophobicContact CG1-CB 4.41Å; S298-D334 PolarHBondContact N-OD2 2.78Å; E330-D334 PolarHBondContact O-N 3.28Å; N331-D334 PolarHBondContact O-N 3.43Å; D334-F336 VanDerWaalsContact C-N 3.35Å; D334-F336 PolarHBondContact O-N 2.83Å; D334-K337 PolarHBondContact O-N 3.36Å; D334-N338 WeakPolarHBondContact O-CB 3.48Å; D334-N338 PolarHBondContact O-N 3.25Å; D334-N338 PolarHBondContact O-ND2 2.89Å; D334-N338 PolarHBondContact OD1-ND2 2.93Å
335L89.9Confident87.3Confident0 Ų042.7 Ų42.70%021%0.206CC..Hα-helixtrans-59.9-44.2172.6-166.686.7000111.6V297 L301 L321 T325 N331 Y333 G340 L341 V363 C367V297-L335 HydrophobicContact CG1-CB 3.74Å; V297-L335 HydrophobicContact CG1-CD1 3.65Å; V297-L335 HydrophobicContact CG1-CG 4.31Å; L301-L335 HydrophobicContact CD1-CD1 4.12Å; L301-L335 HydrophobicContact CD2-CD1 4.06Å; L301-L335 HydrophobicContact CG-CD1 4.34Å; L321-L335 HydrophobicContact CD2-CD1 4.02Å; T325-L335 HydrophobicContact CG2-CB 4.29Å; T325-L335 HydrophobicContact CG2-CD2 4.4Å; N331-L335 PolarHBondContact O-N 2.89Å; Y333-L335 VanDerWaalsContact C-N 3.31Å; Y333-L335 PolarHBondContact O-N 3.25Å; L335-G340 WeakPolarHBondContact O-CA 3.13Å; L335-G340 PolarHBondContact O-N 2.84Å; L335-L341 HydrophobicContact CD2-CD2 3.7Å; L335-L341 HydrophobicContact CD2-CG 4.34Å; L335-V363 HydrophobicContact CD1-CG1 4.22Å; L335-V363 HydrophobicContact CD2-CG1 3.52Å; L335-C367 HydrophobicContact CD2-CB 4.5Å; L335-C367 WeakPolarHBondContact CD2-SG 3.25Å
336F84.4Confident87Confident87 Ų8746.1 Ų46.138%0.38222%0.221SC..Hα-helixtrans-64.5-51.6178.1-175.1-88.4000111.4Q332 Y333 D334 N338 N339 L341 L374Q332-F336 PolarHBondContact O-N 3.3Å; Q332-F336 VanDerWaalsContact O-N 3.16Å; Y333-F336 WeakPolarHBondContact O-CB 2.92Å; Y333-F336 PolarHBondContact O-N 3.21Å; Y333-F336 VanDerWaalsContact O-N 3.17Å; D334-F336 VanDerWaalsContact C-N 3.35Å; D334-F336 PolarHBondContact O-N 2.83Å; F336-N338 PolarHBondContact O-N 3.42Å; F336-N339 PolarHBondContact O-N 3.32Å; F336-N339 VanDerWaalsContact O-N 3.15Å; F336-L341 HydrophobicContact CD2-CD1 3.74Å; F336-L341 HydrophobicContact CE2-CD1 4.39Å; F336-L374 HydrophobicContact CD1-CD1 4.21Å; F336-L374 HydrophobicContact CD2-CD1 4.19Å; F336-L374 HydrophobicContact CE1-CD1 4.41Å; F336-L374 HydrophobicContact CE2-CD1 4.39Å; F336-L374 HydrophobicContact CG-CD1 4.11Å
337K85.4Confident86.8Confident110 Ų11044.3 Ų44.348%0.47822%0.217SC..Hα-helixtrans-60.4-32.2-178.1-172.6161.6-175.1160.80112.7Y333 D334 E387Y333-K337 HydrophobicContact CE1-CB 4.44Å; Y333-K337 HydrophobicContact CE1-CD 3.97Å; Y333-K337 WeakPolarHBondContact O-CB 3.19Å; Y333-K337 PolarHBondContact O-N 2.87Å; D334-K337 PolarHBondContact O-N 3.36Å; K337-E387 IonicContact NZ-OE1 2.59Å; K337-E387 PolarHBondContact NZ-OE1 2.78Å
338N87.4Confident86.7Confident60 Ų6039.8 Ų39.832%0.32119%0.192SC..THydrogen-bonded Turntrans-93.617.7179.9-66.8-80.2000114.4S298 L301 D334 F336 G340S298-N338 WeakPolarHBondContact CB-ND2 3.49Å; L301-N338 HydrophobicContact CD1-CB 3.71Å; D334-N338 WeakPolarHBondContact O-CB 3.48Å; D334-N338 PolarHBondContact O-N 3.25Å; D334-N338 PolarHBondContact O-ND2 2.89Å; D334-N338 PolarHBondContact OD1-ND2 2.93Å; F336-N338 PolarHBondContact O-N 3.42Å; N338-G340 VanDerWaalsContact C-N 3.26Å; N338-G340 PolarHBondContact O-N 3.49Å
339N85.6Confident86.4Confident82 Ų8243.1 Ų43.144%0.43921%0.213SC..THydrogen-bonded Turntrans60.725.8179.7-50.7-86.9000114.8F336 L341 P342F336-N339 PolarHBondContact O-N 3.32Å; F336-N339 VanDerWaalsContact O-N 3.15Å; N339-L341 VanDerWaalsContact C-N 3.31Å; N339-L341 PolarHBondContact O-N 2.86Å; N339-P342 VanDerWaalsContact O-CD 3.3Å; N339-P342 WeakPolarHBondContact O-CD 3.16Å
340G87.3Confident86.1Confident0 Ų044.6 Ų44.60%022%0.22CC..Hα-helixtrans-64.3-31.8-178.500000113.9L335 N338 L343 M344L335-G340 WeakPolarHBondContact O-CA 3.13Å; L335-G340 PolarHBondContact O-N 2.84Å; N338-G340 VanDerWaalsContact C-N 3.26Å; N338-G340 PolarHBondContact O-N 3.49Å; G340-L343 WeakPolarHBondContact O-CB 3.3Å; G340-L343 PolarHBondContact O-N 2.8Å; G340-L343 VanDerWaalsContact O-N 3.13Å; G340-M344 WeakPolarHBondContact O-CG 3.37Å; G340-M344 PolarHBondContact O-N 3.12Å
341L86.1Confident85.7Confident5 Ų541.3 Ų41.33%0.02621%0.207CC..Hα-helixtrans-62.8-51.3179.3-59.8175.8000112.5L335 F336 N339 L343 M344 I345 L364 C367 W405L335-L341 HydrophobicContact CD2-CD2 3.7Å; L335-L341 HydrophobicContact CD2-CG 4.34Å; F336-L341 HydrophobicContact CD2-CD1 3.74Å; F336-L341 HydrophobicContact CE2-CD1 4.39Å; N339-L341 VanDerWaalsContact C-N 3.31Å; N339-L341 PolarHBondContact O-N 2.86Å; L341-L343 PolarHBondContact O-N 2.39Å; L341-M344 PolarHBondContact O-N 2.93Å; L341-I345 WeakPolarHBondContact O-CD1 3.27Å; L341-I345 VanDerWaalsContact O-CG1 3.25Å; L341-I345 WeakPolarHBondContact O-CG1 3.37Å; L341-I345 PolarHBondContact O-N 3.43Å; L341-L364 HydrophobicContact CB-CD2 4.46Å; L341-L364 HydrophobicContact CD2-CD2 3.66Å; L341-C367 HydrophobicContact CD2-CB 3.83Å; L341-W405 HydrophobicContact CD1-CH2 3.89Å; L341-W405 HydrophobicContact CD1-CZ2 3.79Å
342P87Confident85Confident20 Ų2051 Ų5113%0.1325%0.252CS..Hα-helixtrans-47.9-41.2166.7-32.134.1000114.8N339 I345 Q346 L401N339-P342 VanDerWaalsContact O-CD 3.3Å; N339-P342 WeakPolarHBondContact O-CD 3.16Å; P342-I345 PolarHBondContact O-N 2.61Å; P342-Q346 WeakPolarHBondContact O-CB 3.32Å; P342-Q346 PolarHBondContact O-N 2.76Å; P342-L401 HydrophobicContact CG-CD2 3.76Å; P342-L401 HydrophobicContact CG-CG 4.44Å
343L87.4Confident84.6Confident32 Ų3252.7 Ų52.717%0.16826%0.262CS..Hα-helixtrans-70.5-36.9-179.4-62.9176.7000112.9L301 L305 G340 L341 I345 Q346 A347L301-L343 HydrophobicContact CD2-CD1 4.24Å; L305-L343 HydrophobicContact CD1-CD1 4.28Å; L305-L343 HydrophobicContact CD2-CD1 4.19Å; L305-L343 HydrophobicContact CD2-CD2 3.78Å; L305-L343 HydrophobicContact CG-CD1 4.24Å; G340-L343 WeakPolarHBondContact O-CB 3.3Å; G340-L343 PolarHBondContact O-N 2.8Å; G340-L343 VanDerWaalsContact O-N 3.13Å; L341-L343 PolarHBondContact O-N 2.39Å; L343-I345 VanDerWaalsContact C-N 3.34Å; L343-Q346 PolarHBondContact O-N 2.98Å; L343-A347 WeakPolarHBondContact O-CB 3.43Å; L343-A347 PolarHBondContact O-N 2.87Å
344M91.6Very high84.6Confident0 Ų054.4 Ų54.40%027%0.273CS..Hα-helixtrans-65.5-39.1171.9-60.2-57.197.700111.5L301 L304 M318 L321 G340 L341 A347 L348 A360 V363 L364L301-M344 HydrophobicContact CD2-CE 4.2Å; L304-M344 HydrophobicContact CD2-CE 3.54Å; M318-M344 HydrophobicContact CG-CE 4.22Å; M318-M344 HydrophobicContact CG-SD 3.7Å; M318-M344 HydrophobicContact SD-CE 3.82Å; M318-M344 HydrophobicContact SD-SD 3.5Å; L321-M344 HydrophobicContact CD1-CE 4.12Å; G340-M344 WeakPolarHBondContact O-CG 3.37Å; G340-M344 PolarHBondContact O-N 3.12Å; L341-M344 PolarHBondContact O-N 2.93Å; M344-A347 PolarHBondContact O-N 3.32Å; M344-L348 WeakPolarHBondContact O-CG 3.43Å; M344-L348 PolarHBondContact O-N 3.43Å; M344-L348 VanDerWaalsContact O-N 3.08Å; M344-A360 HydrophobicContact CB-CB 4.47Å; M344-V363 HydrophobicContact CG-CB 3.97Å; M344-V363 HydrophobicContact CG-CG1 3.72Å; M344-V363 HydrophobicContact SD-CB 3.71Å; M344-V363 HydrophobicContact SD-CG1 3.76Å; M344-V363 HydrophobicContact SD-CG2 3.78Å; M344-L364 HydrophobicContact CB-CD1 4.12Å; M344-L364 HydrophobicContact CB-CD2 3.78Å; M344-L364 HydrophobicContact CB-CG 3.75Å; M344-L364 HydrophobicContact CG-CD2 4.31Å; M344-L364 HydrophobicContact CG-CG 4.39Å
345I83.8Confident84.5Confident2 Ų256.4 Ų56.41%0.0128%0.282CS..Hα-helixtrans-67.4-42.6177.2-62.3159.3000110.3L341 P342 L343 L348 T349 L364 H404 A408L341-I345 WeakPolarHBondContact O-CD1 3.27Å; L341-I345 VanDerWaalsContact O-CG1 3.25Å; L341-I345 WeakPolarHBondContact O-CG1 3.37Å; L341-I345 PolarHBondContact O-N 3.43Å; P342-I345 PolarHBondContact O-N 2.61Å; L343-I345 VanDerWaalsContact C-N 3.34Å; I345-L348 WeakPolarHBondContact O-CB 3.43Å; I345-L348 PolarHBondContact O-N 2.74Å; I345-T349 PolarHBondContact O-N 3.12Å; I345-T349 VanDerWaalsContact O-N 3.08Å; I345-T349 PolarHBondContact O-OG1 3.13Å; I345-L364 HydrophobicContact CG1-CD1 4.12Å; I345-L364 HydrophobicContact CG1-CD2 4.37Å; I345-H404 HydrophobicContact CD1-CB 4.18Å; I345-H404 HydrophobicContact CG2-CB 4.49Å; I345-A408 HydrophobicContact CD1-CB 3.69Å; I345-A408 HydrophobicContact CG1-CB 3.78Å; I345-A408 HydrophobicContact CG2-CB 4.28Å
346Q84.4Confident84.3Confident71 Ų7157.3 Ų57.333%0.33229%0.287SS..Hα-helixtrans-59.5-46.5174.6-175.8-179.2-9.700110.9P342 L343 L348 T349 E350P342-Q346 WeakPolarHBondContact O-CB 3.32Å; P342-Q346 PolarHBondContact O-N 2.76Å; L343-Q346 PolarHBondContact O-N 2.98Å; Q346-L348 VanDerWaalsContact C-N 3.32Å; Q346-L348 PolarHBondContact O-N 3.25Å; Q346-T349 WeakPolarHBondContact CA-OG1 3.43Å; Q346-T349 PolarHBondContact O-N 2.75Å; Q346-T349 PolarHBondContact O-OG1 2.75Å; Q346-E350 HydrophobicContact CG-CG 4.18Å; Q346-E350 WeakPolarHBondContact CG-OE1 3.41Å; Q346-E350 VanDerWaalsContact CG-OE2 3.32Å; Q346-E350 WeakPolarHBondContact CG-OE2 2.97Å; Q346-E350 PolarHBondContact NE2-OE1 2.81Å; Q346-E350 PolarHBondContact NE2-OE2 3.22Å; Q346-E350 WeakPolarHBondContact O-CB 3.48Å; Q346-E350 PolarHBondContact O-N 3.32Å
347A84.7Confident84.4Confident22 Ų2255 Ų5518%0.18228%0.278CS..Hα-helixtrans-55.6-46.4175.200000111.5M318 L343 M344 T349 E350 S351 A360M318-A347 HydrophobicContact CE-CB 4.38Å; M318-A347 HydrophobicContact SD-CB 4.25Å; L343-A347 WeakPolarHBondContact O-CB 3.43Å; L343-A347 PolarHBondContact O-N 2.87Å; M344-A347 PolarHBondContact O-N 3.32Å; A347-T349 VanDerWaalsContact C-N 3.29Å; A347-T349 PolarHBondContact O-N 3.5Å; A347-E350 PolarHBondContact O-N 2.71Å; A347-S351 WeakPolarHBondContact O-CB 3.29Å; A347-S351 PolarHBondContact O-N 3.4Å; A347-A360 HydrophobicContact CB-CB 4.36Å
348L82.8Confident84.5Confident24 Ų2455.8 Ų55.813%0.12628%0.282CS..Hα-helixtrans-61.6-31.1175.9-72.8168.7000114.2M344 I345 Q346 N357 A360 L364 I411M344-L348 WeakPolarHBondContact O-CG 3.43Å; M344-L348 PolarHBondContact O-N 3.43Å; M344-L348 VanDerWaalsContact O-N 3.08Å; I345-L348 WeakPolarHBondContact O-CB 3.43Å; I345-L348 PolarHBondContact O-N 2.74Å; Q346-L348 VanDerWaalsContact C-N 3.32Å; Q346-L348 PolarHBondContact O-N 3.25Å; L348-N357 HydrophobicContact CD2-CB 3.86Å; L348-N357 WeakPolarHBondContact CD2-O 3.11Å; L348-A360 HydrophobicContact CD1-CB 4.41Å; L348-A360 HydrophobicContact CD2-CB 4.01Å; L348-A360 HydrophobicContact CG-CB 3.81Å; L348-L364 HydrophobicContact CD1-CD1 3.54Å; L348-I411 HydrophobicContact CB-CD1 4.15Å; L348-I411 HydrophobicContact CD1-CG2 4.27Å
349T80.6Confident84.6Confident76 Ų7653.1 Ų53.147%0.46627%0.268SS..Hα-helixtrans-85.4-28.8178.848.30000114.5I345 Q346 A347 I411I345-T349 PolarHBondContact O-N 3.12Å; I345-T349 VanDerWaalsContact O-N 3.08Å; I345-T349 PolarHBondContact O-OG1 3.13Å; Q346-T349 WeakPolarHBondContact CA-OG1 3.43Å; Q346-T349 PolarHBondContact O-N 2.75Å; Q346-T349 PolarHBondContact O-OG1 2.75Å; A347-T349 VanDerWaalsContact C-N 3.29Å; A347-T349 PolarHBondContact O-N 3.5Å; T349-I411 HydrophobicContact CG2-CD1 3.71Å
350E81.3Confident84.8Confident133 Ų13349.2 Ų49.262%0.62125%0.247SC*.Hα-helixtrans-106.1-22.7-170.8-65.4178.5179.600113.3Q346 A347Q346-E350 HydrophobicContact CG-CG 4.18Å; Q346-E350 WeakPolarHBondContact CG-OE1 3.41Å; Q346-E350 VanDerWaalsContact CG-OE2 3.32Å; Q346-E350 WeakPolarHBondContact CG-OE2 2.97Å; Q346-E350 PolarHBondContact NE2-OE1 2.81Å; Q346-E350 PolarHBondContact NE2-OE2 3.22Å; Q346-E350 WeakPolarHBondContact O-CB 3.48Å; Q346-E350 PolarHBondContact O-N 3.32Å; A347-E350 PolarHBondContact O-N 2.71Å
351S77.9Confident84.7Confident24 Ų2451.3 Ų51.317%0.16826%0.26CS..  trans-84.2124.2-179.1168.80000113A347 N353 L356 N357A347-S351 WeakPolarHBondContact O-CB 3.29Å; A347-S351 PolarHBondContact O-N 3.4Å; S351-N353 VanDerWaalsContact C-N 3.29Å; S351-N353 PolarHBondContact OG-N 2.89Å; S351-N353 PolarHBondContact OG-O 3.22Å; S351-L356 WeakPolarHBondContact OG-CB 3.38Å; S351-N357 WeakPolarHBondContact CB-OD1 3.11Å; S351-N357 PolarHBondContact O-ND2 3.2Å; S351-N357 PolarHBondContact O-OD1 2.75Å; S351-N357 PolarHBondContact OG-OD1 3.16Å; S351-N357 VanDerWaalsContact OG-OD1 3.07Å
352Q75.8Confident84.9Confident203 Ų20353.6 Ų53.695%0.94927%0.27SS*.  trans-82.2-3.1165.2-61.9-174.34.200113.3
353N81.6Confident85.1Confident46 Ų4652.7 Ų52.725%0.24626%0.264CS..  trans-88.7116.8178.1-178.61.4000110.8S351 E355 L356 N357S351-N353 VanDerWaalsContact C-N 3.29Å; S351-N353 PolarHBondContact OG-N 2.89Å; S351-N353 PolarHBondContact OG-O 3.22Å; N353-E355 VanDerWaalsContact C-N 3.29Å; N353-E355 PolarHBondContact O-N 3.37Å; N353-E355 PolarHBondContact OD1-N 3.44Å; N353-L356 HydrophobicContact CB-CB 4.13Å; N353-L356 HydrophobicContact CB-CD1 3.99Å; N353-L356 HydrophobicContact CB-CG 4.15Å; N353-L356 WeakPolarHBondContact O-CB 3.15Å; N353-L356 PolarHBondContact O-N 2.82Å; N353-N357 VanDerWaalsContact O-CG 3.24Å; N353-N357 PolarHBondContact O-N 3.07Å; N353-N357 VanDerWaalsContact O-N 3.08Å; N353-N357 PolarHBondContact O-OD1 3.07Å
354E84.8Confident85.1Confident127 Ų12752.8 Ų52.859%0.59327%0.265SS*.Hα-helixtrans-61.3-32.4178.3-161.5-169.2147.800113.2N357 K358E354-N357 PolarHBondContact O-N 3.08Å; E354-K358 WeakPolarHBondContact O-CG 3.34Å; E354-K358 PolarHBondContact O-N 3.47Å; E354-K358 WeakPolarHBondContact OE1-CE 3.28Å; E354-K358 IonicContact OE1-NZ 3.95Å; E354-K358 PolarHBondContact OE1-NZ 2.85Å
355E84.8Confident84.9Confident61 Ų6159.3 Ų59.329%0.28530%0.295SS..Hα-helixtrans-69.7-42.6177.6-61.8-169.1149.400111.4F315 N353 N357 K358 A359 S583F315-E355 HydrophobicContact CD2-CB 3.87Å; F315-E355 VanDerWaalsContact CD2-O 3.31Å; F315-E355 WeakPolarHBondContact CD2-O 3.33Å; F315-E355 HydrophobicContact CE2-CB 3.89Å; F315-E355 VanDerWaalsContact CE2-O 3.3Å; F315-E355 WeakPolarHBondContact CE2-O 3.37Å; N353-E355 VanDerWaalsContact C-N 3.29Å; N353-E355 PolarHBondContact O-N 3.37Å; N353-E355 PolarHBondContact OD1-N 3.44Å; E355-N357 VanDerWaalsContact C-N 3.29Å; E355-N357 PolarHBondContact O-N 3.42Å; E355-K358 PolarHBondContact O-N 2.85Å; E355-A359 PolarHBondContact O-N 2.68Å; E355-S583 WeakPolarHBondContact OE1-CB 3.46Å; E355-S583 PolarHBondContact OE1-OG 3.47Å
356L85.8Confident85Confident19 Ų1960.2 Ų60.210%0.09930%0.3CS..Hα-helixtrans-57.6-44.8170.4-80.1175.4000110.4K314 F315 M318 S351 N353 K358 A359 A360K314-L356 HydrophobicContact CB-CD2 4.2Å; F315-L356 VanDerWaalsContact CA-CD2 3.49Å; F315-L356 HydrophobicContact CB-CD2 3.82Å; F315-L356 HydrophobicContact CB-CG 4.34Å; M318-L356 HydrophobicContact CE-CB 4.03Å; M318-L356 HydrophobicContact CE-CD2 3.44Å; M318-L356 VanDerWaalsContact CE-CD2 3.44Å; M318-L356 HydrophobicContact CE-CG 4.36Å; M318-L356 WeakPolarHBondContact CE-O 3.29Å; S351-L356 WeakPolarHBondContact OG-CB 3.38Å; N353-L356 HydrophobicContact CB-CB 4.13Å; N353-L356 HydrophobicContact CB-CD1 3.99Å; N353-L356 HydrophobicContact CB-CG 4.15Å; N353-L356 WeakPolarHBondContact O-CB 3.15Å; N353-L356 PolarHBondContact O-N 2.82Å; L356-K358 VanDerWaalsContact C-N 3.33Å; L356-K358 PolarHBondContact O-N 3.34Å; L356-A359 PolarHBondContact O-N 3.26Å; L356-A360 WeakPolarHBondContact O-CB 3.43Å; L356-A360 PolarHBondContact O-N 2.73Å
357N86Confident85Confident39 Ų3957 Ų5721%0.20928%0.284CS..Hα-helixtrans-67.9-35.1-176.3-62.31.6000111.5L348 S351 N353 E354 E355 T361L348-N357 HydrophobicContact CD2-CB 3.86Å; L348-N357 WeakPolarHBondContact CD2-O 3.11Å; S351-N357 WeakPolarHBondContact CB-OD1 3.11Å; S351-N357 PolarHBondContact O-ND2 3.2Å; S351-N357 PolarHBondContact O-OD1 2.75Å; S351-N357 PolarHBondContact OG-OD1 3.16Å; S351-N357 VanDerWaalsContact OG-OD1 3.07Å; N353-N357 VanDerWaalsContact O-CG 3.24Å; N353-N357 PolarHBondContact O-N 3.07Å; N353-N357 VanDerWaalsContact O-N 3.08Å; N353-N357 PolarHBondContact O-OD1 3.07Å; E354-N357 PolarHBondContact O-N 3.08Å; E355-N357 VanDerWaalsContact C-N 3.29Å; E355-N357 PolarHBondContact O-N 3.42Å; N357-T361 WeakPolarHBondContact O-CB 3.4Å; N357-T361 PolarHBondContact O-N 2.9Å; N357-T361 PolarHBondContact O-OG1 3.5Å
358K87.7Confident84.7Confident125 Ų12560.8 Ų60.854%0.54330%0.297SS..Hα-helixtrans-64.9-43.5171-74.6167.3-179.2169.70112.5E354 E355 L356 T361 F362E354-K358 WeakPolarHBondContact O-CG 3.34Å; E354-K358 PolarHBondContact O-N 3.47Å; E354-K358 WeakPolarHBondContact OE1-CE 3.28Å; E354-K358 IonicContact OE1-NZ 3.95Å; E354-K358 PolarHBondContact OE1-NZ 2.85Å; E355-K358 PolarHBondContact O-N 2.85Å; L356-K358 VanDerWaalsContact C-N 3.33Å; L356-K358 PolarHBondContact O-N 3.34Å; K358-T361 PolarHBondContact O-N 3.13Å; K358-F362 PolarHBondContact O-N 3.27Å
359A89.5Confident84.2Confident5 Ų565.9 Ų65.94%0.04132%0.318CS..Hα-helixtrans-66.3-42.9177.300000112.4F315 M318 E355 L356 T361 F362 V363F315-A359 HydrophobicContact CD2-CB 3.88Å; F315-A359 HydrophobicContact CE2-CB 3.86Å; M318-A359 HydrophobicContact CB-CB 4.18Å; M318-A359 HydrophobicContact CE-CB 4.17Å; M318-A359 HydrophobicContact CG-CB 4.07Å; E355-A359 PolarHBondContact O-N 2.68Å; L356-A359 PolarHBondContact O-N 3.26Å; A359-T361 VanDerWaalsContact C-N 3.32Å; A359-T361 PolarHBondContact O-N 3.19Å; A359-F362 WeakPolarHBondContact O-CB 3.36Å; A359-F362 PolarHBondContact O-N 2.81Å; A359-V363 PolarHBondContact O-N 3.48Å
360A89.3Confident83.7Confident0 Ų062.8 Ų62.80%030%0.299CS..Hα-helixtrans-60.5-41.2174.400000112.1M318 M344 A347 L348 L356 F362 V363 L364M318-A360 HydrophobicContact CE-CB 3.95Å; M318-A360 HydrophobicContact SD-CB 3.67Å; M344-A360 HydrophobicContact CB-CB 4.47Å; A347-A360 HydrophobicContact CB-CB 4.36Å; L348-A360 HydrophobicContact CD1-CB 4.41Å; L348-A360 HydrophobicContact CD2-CB 4.01Å; L348-A360 HydrophobicContact CG-CB 3.81Å; L356-A360 WeakPolarHBondContact O-CB 3.43Å; L356-A360 PolarHBondContact O-N 2.73Å; A360-F362 VanDerWaalsContact C-N 3.33Å; A360-F362 PolarHBondContact O-N 2.74Å; A360-V363 PolarHBondContact O-N 3.43Å; A360-L364 WeakPolarHBondContact O-CG 3.22Å; A360-L364 PolarHBondContact O-N 2.95Å; A360-L364 VanDerWaalsContact O-N 3.11Å
361T86.7Confident83Confident43 Ų4357.4 Ų57.426%0.26428%0.275SS..Hα-helixtrans-62.7-39176-56.10000111.8N357 K358 A359 L364 H365 I415N357-T361 WeakPolarHBondContact O-CB 3.4Å; N357-T361 PolarHBondContact O-N 2.9Å; N357-T361 PolarHBondContact O-OG1 3.5Å; K358-T361 PolarHBondContact O-N 3.13Å; A359-T361 VanDerWaalsContact C-N 3.32Å; A359-T361 PolarHBondContact O-N 3.19Å; T361-L364 PolarHBondContact O-N 2.86Å; T361-H365 WeakPolarHBondContact O-CB 3.07Å; T361-H365 PolarHBondContact O-N 3.27Å; T361-I415 HydrophobicContact CG2-CD1 4.33Å
362F90Very high82.6Confident54 Ų5461 Ų6124%0.23729%0.289CS..Hα-helixtrans-62.7-47.4176.7176.2-140.1000112.1H323 K358 A359 A360 L364 H365 N366H323-F362 AromaticContact CD2-CE1 3.68Å; H323-F362 AromaticContact CD2-CZ 3.86Å; H323-F362 AromaticContact NE2-CE1 3.92Å; K358-F362 PolarHBondContact O-N 3.27Å; A359-F362 WeakPolarHBondContact O-CB 3.36Å; A359-F362 PolarHBondContact O-N 2.81Å; A360-F362 VanDerWaalsContact C-N 3.33Å; A360-F362 PolarHBondContact O-N 2.74Å; F362-L364 PolarHBondContact O-N 3.03Å; F362-H365 PolarHBondContact O-N 3.38Å; F362-N366 WeakPolarHBondContact CE2-ND2 3.08Å; F362-N366 WeakPolarHBondContact CE2-OD1 3.16Å; F362-N366 PolarHBondContact O-N 2.67Å; F362-N366 PolarHBondContact O-OD1 3.33Å
363V90.8Very high82.1Confident0 Ų056.3 Ų56.30%027%0.265CS..Hα-helixtrans-58.4-46.1175.6-1790000111.5M318 L321 L335 M344 A359 A360 H365 N366 C367M318-V363 HydrophobicContact CG-CG2 4.22Å; M318-V363 WeakPolarHBondContact O-CG2 3.4Å; L321-V363 HydrophobicContact CB-CG2 3.96Å; L335-V363 HydrophobicContact CD1-CG1 4.22Å; L335-V363 HydrophobicContact CD2-CG1 3.52Å; M344-V363 HydrophobicContact CG-CB 3.97Å; M344-V363 HydrophobicContact CG-CG1 3.72Å; M344-V363 HydrophobicContact SD-CB 3.71Å; M344-V363 HydrophobicContact SD-CG1 3.76Å; M344-V363 HydrophobicContact SD-CG2 3.78Å; A359-V363 PolarHBondContact O-N 3.48Å; A360-V363 PolarHBondContact O-N 3.43Å; V363-H365 PolarHBondContact O-N 2.91Å; V363-N366 PolarHBondContact O-N 3.36Å; V363-C367 PolarHBondContact O-N 2.93Å; V363-C367 PolarHBondContact O-SG 2.88Å
364L87.8Confident81.2Confident35 Ų3556 Ų5618%0.18326%0.264CS..Hα-helixtrans-65.4-36.9178.6-70.8178.6000112.8L341 M344 I345 L348 A360 T361 F362 C367 K368L341-L364 HydrophobicContact CB-CD2 4.46Å; L341-L364 HydrophobicContact CD2-CD2 3.66Å; M344-L364 HydrophobicContact CB-CD1 4.12Å; M344-L364 HydrophobicContact CB-CD2 3.78Å; M344-L364 HydrophobicContact CB-CG 3.75Å; M344-L364 HydrophobicContact CG-CD2 4.31Å; M344-L364 HydrophobicContact CG-CG 4.39Å; I345-L364 HydrophobicContact CG1-CD1 4.12Å; I345-L364 HydrophobicContact CG1-CD2 4.37Å; L348-L364 HydrophobicContact CD1-CD1 3.54Å; A360-L364 WeakPolarHBondContact O-CG 3.22Å; A360-L364 PolarHBondContact O-N 2.95Å; A360-L364 VanDerWaalsContact O-N 3.11Å; T361-L364 PolarHBondContact O-N 2.86Å; F362-L364 PolarHBondContact O-N 3.03Å; L364-C367 PolarHBondContact O-N 3.44Å; L364-K368 PolarHBondContact O-N 3.16Å
365H87.4Confident80Confident137 Ų13754 Ų5463%0.63426%0.264SS*.Hα-helixtrans-63.1-48176.4-173.594000111.3T361 F362 V363 C367 K368T361-H365 WeakPolarHBondContact O-CB 3.07Å; T361-H365 PolarHBondContact O-N 3.27Å; F362-H365 PolarHBondContact O-N 3.38Å; V363-H365 PolarHBondContact O-N 2.91Å; H365-C367 VanDerWaalsContact C-N 3.26Å; H365-C367 PolarHBondContact O-N 3Å; H365-K368 VanDerWaalsContact O-CB 3.29Å; H365-K368 WeakPolarHBondContact O-CB 3.49Å; H365-K368 PolarHBondContact O-N 3.15Å; H365-K368 VanDerWaalsContact O-N 3.15Å
366N86.1Confident78.5Confident21 Ų2158.3 Ų58.311%0.11229%0.288CS..Hα-helixtrans-59.2-40.1179.2-66-3.6000111.2G322 F362 V363 K368G322-N366 PolarHBondContact O-ND2 2.75Å; F362-N366 WeakPolarHBondContact CE2-ND2 3.08Å; F362-N366 WeakPolarHBondContact CE2-OD1 3.16Å; F362-N366 PolarHBondContact O-N 2.67Å; F362-N366 PolarHBondContact O-OD1 3.33Å; V363-N366 PolarHBondContact O-N 3.36Å; N366-K368 VanDerWaalsContact C-N 3.33Å; N366-K368 PolarHBondContact O-N 3.45Å
367C83.3Confident76.8Confident2 Ų260.2 Ų60.21%0.01430%0.303CS..THydrogen-bonded Turntrans-82.30.1-179.1-59.80000115.1L335 L341 V363 L364 H365 K369 I370 T371L335-C367 HydrophobicContact CD2-CB 4.5Å; L335-C367 WeakPolarHBondContact CD2-SG 3.25Å; L341-C367 HydrophobicContact CD2-CB 3.83Å; V363-C367 PolarHBondContact O-N 2.93Å; V363-C367 PolarHBondContact O-SG 2.88Å; L364-C367 PolarHBondContact O-N 3.44Å; H365-C367 VanDerWaalsContact C-N 3.26Å; H365-C367 PolarHBondContact O-N 3Å; C367-K369 PolarHBondContact O-N 3.23Å; C367-I370 HydrophobicContact CB-CG2 4.37Å; C367-I370 WeakPolarHBondContact O-CG2 3.47Å; C367-T371 WeakPolarHBondContact O-CB 3.49Å; C367-T371 PolarHBondContact O-N 2.75Å; C367-T371 VanDerWaalsContact O-N 3.08Å; C367-T371 PolarHBondContact O-OG1 3.47Å
368K79Confident74.8Confident103 Ų10365.2 Ų65.245%0.44833%0.329SS..Hα-helixtrans-58.9-49.1179.8-179.8173.1175.5175.10112L364 H365 N366 I370 T371 E372L364-K368 PolarHBondContact O-N 3.16Å; H365-K368 VanDerWaalsContact O-CB 3.29Å; H365-K368 WeakPolarHBondContact O-CB 3.49Å; H365-K368 PolarHBondContact O-N 3.15Å; H365-K368 VanDerWaalsContact O-N 3.15Å; N366-K368 VanDerWaalsContact C-N 3.33Å; N366-K368 PolarHBondContact O-N 3.45Å; K368-I370 PolarHBondContact O-N 2.82Å; K368-T371 WeakPolarHBondContact O-CB 3.41Å; K368-T371 PolarHBondContact O-N 3.33Å; K368-E372 WeakPolarHBondContact CE-OE1 3.34Å; K368-E372 WeakPolarHBondContact CG-OE1 3.35Å; K368-E372 IonicContact NZ-OE1 2.79Å; K368-E372 WeakPolarHBondContact O-CG 3.36Å; K368-E372 PolarHBondContact O-N 2.91Å
369K71.6Confident72.7Confident130 Ų13062.6 Ų62.657%0.56534%0.337SS*.Hα-helixtrans-61.7-42.8-177.4-61.4173.7-170.1161.90112.4D327 C367 E372 K373D327-K369 IonicContact OD1-NZ 3.37Å; C367-K369 PolarHBondContact O-N 3.23Å; K369-E372 PolarHBondContact O-N 2.76Å; K369-K373 WeakPolarHBondContact O-CG 3.29Å; K369-K373 PolarHBondContact O-N 2.92Å
370I70.4Confident70.1Confident11 Ų1170.6 Ų70.66%0.05637%0.374CS..Hα-helixtrans-70.8-34.7178.6-155.6166.6000111.5Q332 C367 K368 E372 K373 L374Q332-I370 HydrophobicContact CB-CB 4.36Å; Q332-I370 HydrophobicContact CB-CD1 3.85Å; Q332-I370 HydrophobicContact CB-CG2 3.91Å; C367-I370 HydrophobicContact CB-CG2 4.37Å; C367-I370 WeakPolarHBondContact O-CG2 3.47Å; K368-I370 PolarHBondContact O-N 2.82Å; I370-E372 VanDerWaalsContact C-N 3.34Å; I370-K373 PolarHBondContact O-N 3.43Å; I370-L374 HydrophobicContact CG1-CD1 4.03Å; I370-L374 HydrophobicContact CG1-CG 4.24Å; I370-L374 WeakPolarHBondContact O-CB 3.4Å; I370-L374 VanDerWaalsContact O-CG 3.29Å; I370-L374 WeakPolarHBondContact O-CG 3.44Å; I370-L374 PolarHBondContact O-N 2.89Å
371T66.1Low67.3Low20 Ų2080 Ų8012%0.12341%0.41CS..Hα-helixtrans-62.3-44.4175-56.30000110.6C367 K368 L374 S375 W405C367-T371 WeakPolarHBondContact O-CB 3.49Å; C367-T371 PolarHBondContact O-N 2.75Å; C367-T371 VanDerWaalsContact O-N 3.08Å; C367-T371 PolarHBondContact O-OG1 3.47Å; K368-T371 WeakPolarHBondContact O-CB 3.41Å; K368-T371 PolarHBondContact O-N 3.33Å; T371-L374 PolarHBondContact O-N 3.19Å; T371-S375 WeakPolarHBondContact O-CB 3.4Å; T371-S375 PolarHBondContact O-N 3.4Å; T371-S375 PolarHBondContact O-OG 3.43Å; T371-W405 HydrophobicContact CG2-CH2 3.44Å; T371-W405 VanDerWaalsContact CG2-CH2 3.44Å; T371-W405 HydrophobicContact CG2-CZ2 3.62Å; T371-W405 HydrophobicContact CG2-CZ3 4.24Å
372E70.9Confident65Low99 Ų9983.7 Ų83.746%0.46344%0.435SS..Hα-helixtrans-63.6-44.7175.5-70.8167.3172.700111.4K368 K369 I370 L376K368-E372 WeakPolarHBondContact CE-OE1 3.34Å; K368-E372 WeakPolarHBondContact CG-OE1 3.35Å; K368-E372 IonicContact NZ-OE1 2.79Å; K368-E372 WeakPolarHBondContact O-CG 3.36Å; K368-E372 PolarHBondContact O-N 2.91Å; K369-E372 PolarHBondContact O-N 2.76Å; I370-E372 VanDerWaalsContact C-N 3.34Å; E372-L376 WeakPolarHBondContact O-CD1 3.5Å; E372-L376 WeakPolarHBondContact O-CG 3.4Å; E372-L376 PolarHBondContact O-N 2.79Å
373K64.6Low62.4Low105 Ų10587 Ų8746%0.45745%0.45SS..Hα-helixtrans-56.9-52.5172.3-76.7179.4171.9-174.40112.3E329 K369 I370 S375 L376 S377E329-K373 VanDerWaalsContact CD-NZ 3.28Å; E329-K373 IonicContact OE1-NZ 2.61Å; E329-K373 PolarHBondContact OE1-NZ 3.29Å; E329-K373 IonicContact OE2-NZ 3.15Å; E329-K373 PolarHBondContact OE2-NZ 2.79Å; E329-K373 VanDerWaalsContact OE2-NZ 3.15Å; K369-K373 WeakPolarHBondContact O-CG 3.29Å; K369-K373 PolarHBondContact O-N 2.92Å; I370-K373 PolarHBondContact O-N 3.43Å; K373-S375 VanDerWaalsContact C-N 3.34Å; K373-S375 PolarHBondContact O-N 3.07Å; K373-L376 PolarHBondContact O-N 3.16Å; K373-L376 VanDerWaalsContact O-N 3.1Å; K373-S377 PolarHBondContact O-N 2.99Å; K373-S377 PolarHBondContact O-OG 3.44Å
374L62.1Low60Low41 Ų4193.1 Ų93.122%0.21548%0.482CS..Hα-helixtrans-67.2-33.5-175.4-71.4170.3000112.6F336 I370 T371 L376 S377 L378F336-L374 HydrophobicContact CD1-CD1 4.21Å; F336-L374 HydrophobicContact CD2-CD1 4.19Å; F336-L374 HydrophobicContact CE1-CD1 4.41Å; F336-L374 HydrophobicContact CE2-CD1 4.39Å; F336-L374 HydrophobicContact CG-CD1 4.11Å; I370-L374 HydrophobicContact CG1-CD1 4.03Å; I370-L374 HydrophobicContact CG1-CG 4.24Å; I370-L374 WeakPolarHBondContact O-CB 3.4Å; I370-L374 VanDerWaalsContact O-CG 3.29Å; I370-L374 WeakPolarHBondContact O-CG 3.44Å; I370-L374 PolarHBondContact O-N 2.89Å; T371-L374 PolarHBondContact O-N 3.19Å; L374-L376 PolarHBondContact O-N 2.87Å; L374-S377 WeakPolarHBondContact CA-OG 3.22Å; L374-S377 PolarHBondContact O-N 3.47Å; L374-L378 PolarHBondContact O-N 2.89Å
375S60.8Low57.7Low85 Ų8599.6 Ų99.659%0.59451%0.512SS*.Hα-helixtrans-65-26.3173.5-57.40000112.6T371 K373T371-S375 WeakPolarHBondContact O-CB 3.4Å; T371-S375 PolarHBondContact O-N 3.4Å; T371-S375 PolarHBondContact O-OG 3.43Å; K373-S375 VanDerWaalsContact C-N 3.34Å; K373-S375 PolarHBondContact O-N 3.07Å
376L53.1Low55.4Low150 Ų150100 Ų10079%0.78552%0.518SS*.Hα-helixtrans-91.9-34.1177.2-66.1168.4000112.4E372 K373 L374 L378E372-L376 WeakPolarHBondContact O-CD1 3.5Å; E372-L376 WeakPolarHBondContact O-CG 3.4Å; E372-L376 PolarHBondContact O-N 2.79Å; K373-L376 PolarHBondContact O-N 3.16Å; K373-L376 VanDerWaalsContact O-N 3.1Å; L374-L376 PolarHBondContact O-N 2.87Å; L376-L378 PolarHBondContact O-N 3.09Å
377S48.9Very low53.3Low60 Ų60102.5 Ų102.542%0.4253%0.53SS..Hα-helixtrans-79.10.3-177.772.60000114.5K373 L374 G379 E380K373-S377 PolarHBondContact O-N 2.99Å; K373-S377 PolarHBondContact O-OG 3.44Å; L374-S377 WeakPolarHBondContact CA-OG 3.22Å; L374-S377 PolarHBondContact O-N 3.47Å; S377-G379 PolarHBondContact O-N 3.28Å; S377-E380 PolarHBondContact O-N 2.91Å
378L45.1Very low51.2Low144 Ų144105.6 Ų105.675%0.75455%0.549SS*.THydrogen-bonded Turntrans-62.1-8.9176.1-127.577.9000114L374 L376L374-L378 PolarHBondContact O-N 2.89Å; L376-L378 PolarHBondContact O-N 3.09Å
379G42.8Very low49.2Very low69 Ų69106.9 Ų106.971%0.71156%0.556SS**THydrogen-bonded Turntrans-92.9-31.9176.400000116S377S377-G379 PolarHBondContact O-N 3.28Å
380E36.4Very low47.8Very low174 Ų174107.5 Ų107.581%0.81356%0.561SS**SBendtrans-147.376.5-162.4-65.5-171.1167.700114.2S377S377-E380 PolarHBondContact O-N 2.91Å
381Y28.6Very low46.3Very low196 Ų196111.3 Ų111.377%0.76958%0.581SS**  trans-155.8134.9151.3-127.4-89.7000110.6F383Y381-F383 PolarHBondContact O-N 3.22Å
382P39.6Very low45Very low121 Ų121116.4 Ų116.479%0.78660%0.602SS**PPolyproline II helixtrans-77.3116.3-179.829.7-33.6000111.6
383F36.1Very low43.3Very low125 Ų125117.4 Ų117.455%0.54861%0.61SS.*PPolyproline II helixtrans-86.3151.4167.8-80.7-90.9000111.3Y381 E387Y381-F383 PolarHBondContact O-N 3.22Å; F383-E387 WeakPolarHBondContact CD1-OE2 3.29Å
384D40.1Very low42.2Very low127 Ų127116.6 Ų116.668%0.67961%0.61SS**PPolyproline II helixtrans-74.2146.6178.4-163.40.9000111.6N386 E387D384-N386 PolarHBondContact O-N 3.35Å; D384-E387 PolarHBondContact O-N 3.17Å
385E38.8Very low41.1Very low172 Ų172119.9 Ų119.980%0.80463%0.627SS**THydrogen-bonded Turntrans-64.9-19.6-160.5-63.4-169143.200114.2T388E385-T388 PolarHBondContact O-OG1 3.48Å
386N38.7Very low40.2Very low144 Ų144121.4 Ų121.477%0.7763%0.633SS**THydrogen-bonded Turntrans-75.4-29.2176.2-92.3-47.7000113.9D384D384-N386 PolarHBondContact O-N 3.35Å
387E43.3Very low39.7Very low75 Ų75120.3 Ų120.335%0.3562%0.622SS.*G310 helixtrans-78.3-23.9177.6-68.8-160.9130.700111.6K337 F383 D384 Q389 Q390 L391K337-E387 IonicContact NZ-OE1 2.59Å; K337-E387 PolarHBondContact NZ-OE1 2.78Å; F383-E387 WeakPolarHBondContact CD1-OE2 3.29Å; D384-E387 PolarHBondContact O-N 3.17Å; E387-Q389 PolarHBondContact O-N 3.24Å; E387-Q389 VanDerWaalsContact O-N 3.12Å; E387-Q390 PolarHBondContact O-N 2.92Å; E387-L391 PolarHBondContact O-N 3.45Å; E387-L391 VanDerWaalsContact O-N 3.16Å
388T37.6Very low39.2Very low67 Ų67121.9 Ų121.941%0.41162%0.622SS.*G310 helixtrans-60.4-25.2179.8-32.50000113.5E385E385-T388 PolarHBondContact O-OG1 3.48Å
389Q37.8Very low39Very low129 Ų129122.8 Ų122.860%0.60362%0.62SS**G310 helixtrans-82.1-28.9178.1-166.667.2-3.400112.6E387E387-Q389 PolarHBondContact O-N 3.24Å; E387-Q389 VanDerWaalsContact O-N 3.12Å
390Q42.8Very low39Very low144 Ų144124.8 Ų124.867%0.67362%0.615SS**THydrogen-bonded Turntrans-75.5-30.4171.9-64.7-170.29.100112E387 K392 D393E387-Q390 PolarHBondContact O-N 2.92Å; Q390-K392 PolarHBondContact O-N 2.75Å; Q390-K392 VanDerWaalsContact O-N 3.12Å; Q390-D393 PolarHBondContact O-N 2.84Å
391L38.3Very low39.2Very low90 Ų90118.6 Ų118.647%0.47159%0.587SS.*Hα-helixtrans-57.2-26.4177.6-110.470.9000114.1E387 D393 I394E387-L391 PolarHBondContact O-N 3.45Å; E387-L391 VanDerWaalsContact O-N 3.16Å; L391-D393 VanDerWaalsContact C-N 3.32Å; L391-D393 PolarHBondContact O-N 2.68Å; L391-I394 HydrophobicContact CD1-CD1 4.14Å; L391-I394 HydrophobicContact CG-CD1 4.34Å; L391-I394 WeakPolarHBondContact O-CB 3.18Å; L391-I394 PolarHBondContact O-N 2.65Å; L391-I394 VanDerWaalsContact O-N 3.13Å
392K37.9Very low39.9Very low128 Ų128115 Ų11556%0.55758%0.577SS**Hα-helixtrans-68-30.4-178.7-68.5169.9-171.51640112.8Q390 I394Q390-K392 PolarHBondContact O-N 2.75Å; Q390-K392 VanDerWaalsContact O-N 3.12Å; K392-I394 VanDerWaalsContact C-N 3.32Å
393D36.9Very low40Very low120 Ų120113.6 Ų113.664%0.64256%0.56SS**Hα-helixtrans-79.3-14.4174.5-71.4-23000112.9Q390 L391Q390-D393 PolarHBondContact O-N 2.84Å; L391-D393 VanDerWaalsContact C-N 3.32Å; L391-D393 PolarHBondContact O-N 2.68Å
394I41.5Very low40.2Very low87 Ų87110.5 Ų110.545%0.44655%0.547SS..Hα-helixtrans-76.4-37.9177.2-57.3-178.5000110.7L391 K392 V396 K397 E398L391-I394 HydrophobicContact CD1-CD1 4.14Å; L391-I394 HydrophobicContact CG-CD1 4.34Å; L391-I394 WeakPolarHBondContact O-CB 3.18Å; L391-I394 PolarHBondContact O-N 2.65Å; L391-I394 VanDerWaalsContact O-N 3.13Å; K392-I394 VanDerWaalsContact C-N 3.32Å; I394-V396 PolarHBondContact O-N 3.47Å; I394-V396 VanDerWaalsContact O-N 3.1Å; I394-K397 WeakPolarHBondContact O-CA 3.37Å; I394-K397 WeakPolarHBondContact O-CB 3.05Å; I394-K397 PolarHBondContact O-N 2.81Å; I394-E398 PolarHBondContact O-N 2.86Å
395N37.3Very low40.3Very low110 Ų110107.9 Ų107.959%0.58853%0.528SS*.Hα-helixtrans-60.2-24.9-178.1-160.6-97.4000113.2E398N395-E398 PolarHBondContact ND2-OE2 2.73Å; N395-E398 VanDerWaalsContact ND2-OE2 3.07Å
396V42.7Very low40.9Very low118 Ų118107 Ų10772%0.71552%0.517SS*.Hα-helixtrans-76.9-31.8172.9-176.10000112.2I394I394-V396 PolarHBondContact O-N 3.47Å; I394-V396 VanDerWaalsContact O-N 3.1Å
397K43.2Very low41.3Very low126 Ų126104 Ų10455%0.54850%0.497SS..Hα-helixtrans-82.2-22.9178.6-65.1179.2-179.91760113.4I394 K399 N400 L401I394-K397 WeakPolarHBondContact O-CA 3.37Å; I394-K397 WeakPolarHBondContact O-CB 3.05Å; I394-K397 PolarHBondContact O-N 2.81Å; K397-K399 PolarHBondContact O-N 2.83Å; K397-K399 VanDerWaalsContact O-N 3.16Å; K397-N400 PolarHBondContact O-N 3.44Å; K397-L401 PolarHBondContact O-N 3.42Å
398E38.5Very low41.4Very low93 Ų93101 Ų10144%0.43549%0.486SS..Hα-helixtrans-52.8-36.1-177.9-161.2160.6-152.500112.9I394 N395 L401 E402I394-E398 PolarHBondContact O-N 2.86Å; N395-E398 PolarHBondContact ND2-OE2 2.73Å; N395-E398 VanDerWaalsContact ND2-OE2 3.07Å; E398-L401 WeakPolarHBondContact O-CB 2.97Å; E398-L401 PolarHBondContact O-N 3.01Å; E398-E402 PolarHBondContact O-N 2.76Å
399K39.8Very low41.8Very low163 Ų163104.9 Ų104.971%0.70950%0.497SS*.Hα-helixtrans-67.9-32.8176.4-68.5-177.7178.4176.90114.6K397 E403K397-K399 PolarHBondContact O-N 2.83Å; K397-K399 VanDerWaalsContact O-N 3.16Å; K399-E403 PolarHBondContact O-N 2.94Å
400N42.3Very low42.5Very low111 Ų111104.5 Ų104.559%0.59450%0.495SS*.Hα-helixtrans-72.4-41.9172.9-80.24.2000110.3K397 E402 E403 H404K397-N400 PolarHBondContact O-N 3.44Å; N400-E402 VanDerWaalsContact C-N 3.27Å; N400-E402 PolarHBondContact O-N 3.42Å; N400-E403 PolarHBondContact O-N 3.36Å; N400-E403 VanDerWaalsContact O-N 3.11Å; N400-H404 PolarHBondContact O-CD2 2.85Å; N400-H404 PolarHBondContact O-N 3.45Å
401L42Very low43Very low44 Ų4499.4 Ų99.423%0.2347%0.472CS..Hα-helixtrans-56.2-40.9173.9-92.8148.8000111.6P342 K397 E398 E403 H404 W405P342-L401 HydrophobicContact CG-CD2 3.76Å; P342-L401 HydrophobicContact CG-CG 4.44Å; K397-L401 PolarHBondContact O-N 3.42Å; E398-L401 WeakPolarHBondContact O-CB 2.97Å; E398-L401 PolarHBondContact O-N 3.01Å; L401-E403 VanDerWaalsContact C-N 3.34Å; L401-E403 PolarHBondContact O-N 3.01Å; L401-H404 PolarHBondContact O-N 3.09Å; L401-W405 WeakPolarHBondContact O-CB 3.41Å; L401-W405 PolarHBondContact O-N 3.37Å
402E42.3Very low43.3Very low121 Ų12199 Ų9957%0.56547%0.47SS*.Hα-helixtrans-62.5-36176.1-167.4178.6-157.500113.2E398 N400 R406E398-E402 PolarHBondContact O-N 2.76Å; N400-E402 VanDerWaalsContact C-N 3.27Å; N400-E402 PolarHBondContact O-N 3.42Å; E402-R406 WeakPolarHBondContact O-CB 3.25Å; E402-R406 PolarHBondContact O-N 2.96Å
403E41.6Very low43.9Very low92 Ų9298.3 Ų98.343%0.4347%0.469SS..Hα-helixtrans-72.3-39.7174.5-163-176.6130.200112.3K399 N400 L401 W405 R406 K407K399-E403 PolarHBondContact O-N 2.94Å; N400-E403 PolarHBondContact O-N 3.36Å; N400-E403 VanDerWaalsContact O-N 3.11Å; L401-E403 VanDerWaalsContact C-N 3.34Å; L401-E403 PolarHBondContact O-N 3.01Å; E403-W405 VanDerWaalsContact C-N 3.35Å; E403-R406 WeakPolarHBondContact O-CB 3.47Å; E403-R406 PolarHBondContact O-N 3.02Å; E403-K407 PolarHBondContact O-N 2.86Å; E403-K407 VanDerWaalsContact OE1-CE 3.28Å; E403-K407 WeakPolarHBondContact OE1-CE 3.28Å; E403-K407 IonicContact OE1-NZ 3.14Å; E403-K407 PolarHBondContact OE1-NZ 2.92Å
404H40.6Very low44.8Very low60 Ų60100.6 Ų100.628%0.27847%0.468SS..Hα-helixtrans-61.5-42.8171.1-72-74.3000111.2I345 N400 L401 R406 K407 A408I345-H404 HydrophobicContact CD1-CB 4.18Å; I345-H404 HydrophobicContact CG2-CB 4.49Å; N400-H404 PolarHBondContact O-CD2 2.85Å; N400-H404 PolarHBondContact O-N 3.45Å; L401-H404 PolarHBondContact O-N 3.09Å; H404-R406 VanDerWaalsContact C-N 3.32Å; H404-R406 PolarHBondContact O-N 3.27Å; H404-K407 PolarHBondContact O-N 2.87Å; H404-A408 VanDerWaalsContact O-CB 3.32Å; H404-A408 WeakPolarHBondContact O-CB 3.27Å; H404-A408 PolarHBondContact O-N 3.23Å
405W43Very low45.3Very low71 Ų7198.8 Ų98.827%0.26946%0.459SS..Hα-helixtrans-64.1-33.8174.9-80.7122.4000113.1L341 T371 L401 E403 A408 K409L341-W405 HydrophobicContact CD1-CH2 3.89Å; L341-W405 HydrophobicContact CD1-CZ2 3.79Å; T371-W405 HydrophobicContact CG2-CH2 3.44Å; T371-W405 VanDerWaalsContact CG2-CH2 3.44Å; T371-W405 HydrophobicContact CG2-CZ2 3.62Å; T371-W405 HydrophobicContact CG2-CZ3 4.24Å; L401-W405 WeakPolarHBondContact O-CB 3.41Å; L401-W405 PolarHBondContact O-N 3.37Å; E403-W405 VanDerWaalsContact C-N 3.35Å; W405-A408 HydrophobicContact CE3-CB 4.28Å; W405-K409 WeakPolarHBondContact O-CB 3.06Å; W405-K409 VanDerWaalsContact O-CG 3.32Å; W405-K409 WeakPolarHBondContact O-CG 3.46Å; W405-K409 PolarHBondContact O-N 3.44Å
406R50.7Low46.2Very low153 Ų15397.1 Ų97.158%0.57745%0.448SS*.Hα-helixtrans-64.3-49.8173.4-166.4-178.9-56.2166.96.2111E402 E403 H404 A408 K409 E410E402-R406 WeakPolarHBondContact O-CB 3.25Å; E402-R406 PolarHBondContact O-N 2.96Å; E403-R406 WeakPolarHBondContact O-CB 3.47Å; E403-R406 PolarHBondContact O-N 3.02Å; H404-R406 VanDerWaalsContact C-N 3.32Å; H404-R406 PolarHBondContact O-N 3.27Å; R406-A408 VanDerWaalsContact C-N 3.34Å; R406-A408 PolarHBondContact O-N 3.49Å; R406-K409 PolarHBondContact O-N 3.04Å; R406-E410 PolarHBondContact O-N 3.12Å
407K47.9Very low46.5Very low81 Ų8195.7 Ų95.735%0.35243%0.433SS..Hα-helixtrans-62.6-38.8175.4-70.7168.7-177.2166.10111.9E403 H404 E410 I411E403-K407 PolarHBondContact O-N 2.86Å; E403-K407 VanDerWaalsContact OE1-CE 3.28Å; E403-K407 WeakPolarHBondContact OE1-CE 3.28Å; E403-K407 IonicContact OE1-NZ 3.14Å; E403-K407 PolarHBondContact OE1-NZ 2.92Å; H404-K407 PolarHBondContact O-N 2.87Å; K407-E410 PolarHBondContact O-N 2.97Å; K407-I411 WeakPolarHBondContact O-CB 3.42Å; K407-I411 WeakPolarHBondContact O-CD1 3.31Å; K407-I411 VanDerWaalsContact O-CG1 3.24Å; K407-I411 WeakPolarHBondContact O-CG1 3.27Å; K407-I411 PolarHBondContact O-N 3.48Å
408A44.3Very low46.9Very low14 Ų1494.8 Ų94.812%0.11643%0.434CS..Hα-helixtrans-62.7-43.817500000112.3I345 H404 W405 R406 I411 L412I345-A408 HydrophobicContact CD1-CB 3.69Å; I345-A408 HydrophobicContact CG1-CB 3.78Å; I345-A408 HydrophobicContact CG2-CB 4.28Å; H404-A408 VanDerWaalsContact O-CB 3.32Å; H404-A408 WeakPolarHBondContact O-CB 3.27Å; H404-A408 PolarHBondContact O-N 3.23Å; W405-A408 HydrophobicContact CE3-CB 4.28Å; R406-A408 VanDerWaalsContact C-N 3.34Å; R406-A408 PolarHBondContact O-N 3.49Å; A408-I411 PolarHBondContact O-N 3.21Å; A408-L412 WeakPolarHBondContact O-CB 3.25Å; A408-L412 PolarHBondContact O-N 3.11Å
409K47.1Very low47.5Very low147 Ų14796.1 Ų96.164%0.63944%0.44SS*.Hα-helixtrans-65.6-38.4174.9-74.8172.2-180176.80112W405 R406 L412 H413W405-K409 WeakPolarHBondContact O-CB 3.06Å; W405-K409 VanDerWaalsContact O-CG 3.32Å; W405-K409 WeakPolarHBondContact O-CG 3.46Å; W405-K409 PolarHBondContact O-N 3.44Å; R406-K409 PolarHBondContact O-N 3.04Å; K409-L412 PolarHBondContact O-N 3.25Å; K409-H413 VanDerWaalsContact O-CB 3.3Å; K409-H413 WeakPolarHBondContact O-CB 3.42Å; K409-H413 PolarHBondContact O-N 3.48Å
410E52.1Low48.2Very low122 Ų12293.7 Ų93.757%0.5743%0.426SS*.Hα-helixtrans-63.5-45.2174.4-170.1-178.3163.500111.7R406 K407 H413 R414R406-E410 PolarHBondContact O-N 3.12Å; K407-E410 PolarHBondContact O-N 2.97Å; E410-H413 PolarHBondContact O-N 3.35Å; E410-R414 VanDerWaalsContact O-CB 3.29Å; E410-R414 WeakPolarHBondContact O-CB 3.24Å; E410-R414 PolarHBondContact O-N 3.4Å
411I52.6Low48.6Very low36 Ų3692.4 Ų92.419%0.18542%0.417CS..Hα-helixtrans-64.8-43.9175.2-67.6161.5000111L348 T349 K407 A408 H413 R414 I415L348-I411 HydrophobicContact CB-CD1 4.15Å; L348-I411 HydrophobicContact CD1-CG2 4.27Å; T349-I411 HydrophobicContact CG2-CD1 3.71Å; K407-I411 WeakPolarHBondContact O-CB 3.42Å; K407-I411 WeakPolarHBondContact O-CD1 3.31Å; K407-I411 VanDerWaalsContact O-CG1 3.24Å; K407-I411 WeakPolarHBondContact O-CG1 3.27Å; K407-I411 PolarHBondContact O-N 3.48Å; A408-I411 PolarHBondContact O-N 3.21Å; I411-H413 PolarHBondContact O-N 2.87Å; I411-R414 CarbonylContact O-C 3.36Å; I411-R414 WeakPolarHBondContact O-CB 3.35Å; I411-R414 PolarHBondContact O-N 3.23Å; I411-R414 VanDerWaalsContact O-N 3.16Å; I411-I415 HydrophobicContact CG2-CD1 3.83Å; I411-I415 HydrophobicContact CG2-CG1 4.4Å; I411-I415 WeakPolarHBondContact O-CG1 3.48Å; I411-I415 PolarHBondContact O-N 3.48Å
412L44.5Very low48.8Very low83 Ų8392 Ų9244%0.43542%0.424SS..Hα-helixtrans-60.4-47.6177.1-164.282.2000111.1A408 K409 R414 I415 E416A408-L412 WeakPolarHBondContact O-CB 3.25Å; A408-L412 PolarHBondContact O-N 3.11Å; K409-L412 PolarHBondContact O-N 3.25Å; L412-R414 PolarHBondContact O-N 3.45Å; L412-I415 PolarHBondContact O-N 3.2Å; L412-E416 WeakPolarHBondContact O-CG 3.36Å; L412-E416 PolarHBondContact O-N 3.05Å
413H51.6Low49.2Very low113 Ų11390.7 Ų90.752%0.52342%0.42SS..Hα-helixtrans-62.7-32.1176.8-168.1-58.3000112.1K409 E410 I411 Q417K409-H413 VanDerWaalsContact O-CB 3.3Å; K409-H413 WeakPolarHBondContact O-CB 3.42Å; K409-H413 PolarHBondContact O-N 3.48Å; E410-H413 PolarHBondContact O-N 3.35Å; I411-H413 PolarHBondContact O-N 2.87Å; H413-Q417 WeakPolarHBondContact O-CB 2.71Å; H413-Q417 PolarHBondContact O-N 3.02Å
414R54.3Low49.6Very low168 Ų16891.8 Ų91.863%0.63443%0.425SS*.Hα-helixtrans-75.1-34.7175.9-164.4172-172.61630.3112.6E410 I411 L412 Q417 L418E410-R414 VanDerWaalsContact O-CB 3.29Å; E410-R414 WeakPolarHBondContact O-CB 3.24Å; E410-R414 PolarHBondContact O-N 3.4Å; I411-R414 CarbonylContact O-C 3.36Å; I411-R414 WeakPolarHBondContact O-CB 3.35Å; I411-R414 PolarHBondContact O-N 3.23Å; I411-R414 VanDerWaalsContact O-N 3.16Å; L412-R414 PolarHBondContact O-N 3.45Å; R414-Q417 PolarHBondContact O-N 3.2Å; R414-L418 VanDerWaalsContact O-CG 3.3Å; R414-L418 WeakPolarHBondContact O-CG 3.32Å; R414-L418 PolarHBondContact O-N 2.93Å
415I52.6Low50Low49 Ų4994 Ų9425%0.25144%0.436SS..Hα-helixtrans-66.9-51.6171-69.2166.1000109.7T361 I411 L412 Q417 L418 E419T361-I415 HydrophobicContact CG2-CD1 4.33Å; I411-I415 HydrophobicContact CG2-CD1 3.83Å; I411-I415 HydrophobicContact CG2-CG1 4.4Å; I411-I415 WeakPolarHBondContact O-CG1 3.48Å; I411-I415 PolarHBondContact O-N 3.48Å; L412-I415 PolarHBondContact O-N 3.2Å; I415-Q417 PolarHBondContact O-N 3.3Å; I415-L418 PolarHBondContact O-N 3.03Å; I415-E419 WeakPolarHBondContact O-CG 3.4Å; I415-E419 PolarHBondContact O-N 3.44Å
416E56.1Low50.2Low75 Ų7596.2 Ų96.235%0.3545%0.449SS..Hα-helixtrans-58.4-33.4175-69.5-178.7-16600112.2L412 R420L412-E416 WeakPolarHBondContact O-CG 3.36Å; L412-E416 PolarHBondContact O-N 3.05Å; E416-R420 WeakPolarHBondContact O-CB 3.23Å; E416-R420 VanDerWaalsContact O-CG 3.27Å; E416-R420 WeakPolarHBondContact O-CG 3.34Å; E416-R420 PolarHBondContact O-N 3.04Å; E416-R420 PolarHBondContact O-NE 2.75Å; E416-R420 IonicContact OE2-CZ 2.65Å; E416-R420 IonicContact OE2-NH1 2.73Å; E416-R420 PolarHBondContact OE2-NH1 3.27Å; E416-R420 IonicContact OE2-NH2 3.99Å; E416-R420 PolarHBondContact OE2-NH2 2.63Å
417Q49.3Very low50.2Low87 Ų8793.3 Ų93.341%0.40744%0.444SS..Hα-helixtrans-67.6-44.8174.2177171.6-12.200111.5H413 R414 I415 E419 R420 E421H413-Q417 WeakPolarHBondContact O-CB 2.71Å; H413-Q417 PolarHBondContact O-N 3.02Å; R414-Q417 PolarHBondContact O-N 3.2Å; I415-Q417 PolarHBondContact O-N 3.3Å; Q417-E419 VanDerWaalsContact C-N 3.3Å; Q417-E419 PolarHBondContact O-N 2.93Å; Q417-R420 CarbonylContact O-C 3.57Å; Q417-R420 PolarHBondContact O-N 3.29Å; Q417-E421 HydrophobicContact CG-CG 4.33Å; Q417-E421 VanDerWaalsContact CG-OE1 3.23Å; Q417-E421 WeakPolarHBondContact CG-OE1 3.48Å; Q417-E421 PolarHBondContact NE2-OE1 2.87Å; Q417-E421 WeakPolarHBondContact O-CB 3.41Å; Q417-E421 VanDerWaalsContact O-CG 3.31Å; Q417-E421 WeakPolarHBondContact O-CG 3.37Å; Q417-E421 PolarHBondContact O-N 3.34Å
418L51Low50.2Low107 Ų10795.5 Ų95.556%0.5646%0.456SS*.Hα-helixtrans-64.9-33.2175-71.3165.2000112.4R414 I415 G422R414-L418 VanDerWaalsContact O-CG 3.3Å; R414-L418 WeakPolarHBondContact O-CG 3.32Å; R414-L418 PolarHBondContact O-N 2.93Å; I415-L418 PolarHBondContact O-N 3.03Å; L418-G422 PolarHBondContact O-N 3.37Å
419E50.9Low50.3Low122 Ų122101.6 Ų101.657%0.5748%0.476SS*.Hα-helixtrans-68.7-39.7171.8-70.5178.1161.200111.5I415 Q417 N423I415-E419 WeakPolarHBondContact O-CG 3.4Å; I415-E419 PolarHBondContact O-N 3.44Å; Q417-E419 VanDerWaalsContact C-N 3.3Å; Q417-E419 PolarHBondContact O-N 2.93Å; E419-N423 WeakPolarHBondContact O-CB 3.48Å; E419-N423 PolarHBondContact O-N 3.14Å; E419-N423 PolarHBondContact O-ND2 3.24Å
420R55.8Low50.2Low111 Ų111100.5 Ų100.542%0.41947%0.473SS..Hα-helixtrans-65.1-45.6172.1-75.9177.7-72.4-109.72.2111.9E416 Q417 G422 N423 E424E416-R420 WeakPolarHBondContact O-CB 3.23Å; E416-R420 VanDerWaalsContact O-CG 3.27Å; E416-R420 WeakPolarHBondContact O-CG 3.34Å; E416-R420 PolarHBondContact O-N 3.04Å; E416-R420 PolarHBondContact O-NE 2.75Å; E416-R420 IonicContact OE2-CZ 2.65Å; E416-R420 IonicContact OE2-NH1 2.73Å; E416-R420 PolarHBondContact OE2-NH1 3.27Å; E416-R420 IonicContact OE2-NH2 3.99Å; E416-R420 PolarHBondContact OE2-NH2 2.63Å; Q417-R420 CarbonylContact O-C 3.57Å; Q417-R420 PolarHBondContact O-N 3.29Å; R420-G422 PolarHBondContact O-N 3.28Å; R420-N423 PolarHBondContact O-N 3.42Å; R420-E424 WeakPolarHBondContact O-CG 3.4Å; R420-E424 PolarHBondContact O-N 3.43Å
421E49.8Very low49.8Very low85 Ų8599 Ų9940%0.39747%0.469SS..Hα-helixtrans-63.3-38.9177.1-73.1168.3-175.900111.8Q417 E424 E425Q417-E421 HydrophobicContact CG-CG 4.33Å; Q417-E421 VanDerWaalsContact CG-OE1 3.23Å; Q417-E421 WeakPolarHBondContact CG-OE1 3.48Å; Q417-E421 PolarHBondContact NE2-OE1 2.87Å; Q417-E421 WeakPolarHBondContact O-CB 3.41Å; Q417-E421 VanDerWaalsContact O-CG 3.31Å; Q417-E421 WeakPolarHBondContact O-CG 3.37Å; Q417-E421 PolarHBondContact O-N 3.34Å; E421-E424 PolarHBondContact O-N 2.86Å; E421-E425 PolarHBondContact O-N 3.14Å
422G47.3Very low49.2Very low36 Ų36101 Ų10137%0.37149%0.485SS..Hα-helixtrans-63.7-43.317300000113.2L418 R420 E425 E426L418-G422 PolarHBondContact O-N 3.37Å; R420-G422 PolarHBondContact O-N 3.28Å; G422-E425 PolarHBondContact O-N 2.85Å; G422-E426 PolarHBondContact O-N 3.49Å
423N49.3Very low49.2Very low92 Ų92102.8 Ų102.849%0.49249%0.491SS..Hα-helixtrans-65.4-37172.8-74.3-56.7000111.7E419 R420 E426 I427E419-N423 WeakPolarHBondContact O-CB 3.48Å; E419-N423 PolarHBondContact O-N 3.14Å; E419-N423 PolarHBondContact O-ND2 3.24Å; R420-N423 PolarHBondContact O-N 3.42Å; N423-E426 PolarHBondContact O-N 2.96Å; N423-I427 WeakPolarHBondContact O-CB 3.12Å; N423-I427 VanDerWaalsContact O-CG1 3.27Å; N423-I427 WeakPolarHBondContact O-CG1 3.3Å; N423-I427 PolarHBondContact O-N 3.41Å
424E50.5Low48.5Very low115 Ų115102.3 Ų102.354%0.53749%0.492SS..Hα-helixtrans-68.4-36.1175-77.6-175-161.200112.5R420 E421 E426 Q428R420-E424 WeakPolarHBondContact O-CG 3.4Å; R420-E424 PolarHBondContact O-N 3.43Å; E421-E424 PolarHBondContact O-N 2.86Å; E424-E426 VanDerWaalsContact C-N 3.32Å; E424-Q428 VanDerWaalsContact O-CB 3.31Å; E424-Q428 WeakPolarHBondContact O-CB 3.47Å; E424-Q428 VanDerWaalsContact O-CG 3.27Å; E424-Q428 WeakPolarHBondContact O-CG 3.47Å; E424-Q428 PolarHBondContact O-N 2.97Å
425E49.7Very low47.9Very low106 Ų10699.4 Ų99.450%0.49549%0.49SS..Hα-helixtrans-65.8-33.3168.8-72.5-159.2167.200112.5E421 G422 R429E421-E425 PolarHBondContact O-N 3.14Å; G422-E425 PolarHBondContact O-N 2.85Å; E425-R429 WeakPolarHBondContact O-CB 3.12Å; E425-R429 VanDerWaalsContact O-CG 3.28Å; E425-R429 WeakPolarHBondContact O-CG 3.26Å; E425-R429 PolarHBondContact O-N 3.3Å; E425-R429 PolarHBondContact O-NE 2.81Å; E425-R429 IonicContact OE2-CZ 2.73Å; E425-R429 IonicContact OE2-NH1 2.74Å; E425-R429 PolarHBondContact OE2-NH1 3.46Å; E425-R429 IonicContact OE2-NH2 3.56Å; E425-R429 PolarHBondContact OE2-NH2 3.42Å
426E46.3Very low47.4Very low119 Ų119101.7 Ų101.756%0.55650%0.501SS*.Hα-helixtrans-69.7-45.2175.9-165.9153.1-133.400110.9G422 N423 E424 Q428 R429 E430G422-E426 PolarHBondContact O-N 3.49Å; N423-E426 PolarHBondContact O-N 2.96Å; E424-E426 VanDerWaalsContact C-N 3.32Å; E426-Q428 PolarHBondContact O-N 2.69Å; E426-R429 CarbonylContact O-C 3.59Å; E426-R429 WeakPolarHBondContact O-CA 3.27Å; E426-R429 WeakPolarHBondContact O-CB 3.37Å; E426-R429 PolarHBondContact O-N 2.99Å; E426-R429 VanDerWaalsContact O-N 3.1Å; E426-E430 PolarHBondContact O-N 2.63Å
427I51.9Low46.9Very low92 Ų92100.9 Ų100.947%0.47250%0.504SS..Hα-helixtrans-62.9-37.7172.8-68.4163.9000111.6N423 E430 N431N423-I427 WeakPolarHBondContact O-CB 3.12Å; N423-I427 VanDerWaalsContact O-CG1 3.27Å; N423-I427 WeakPolarHBondContact O-CG1 3.3Å; N423-I427 PolarHBondContact O-N 3.41Å; I427-E430 PolarHBondContact O-N 2.97Å; I427-N431 WeakPolarHBondContact CG2-ND2 3.38Å; I427-N431 WeakPolarHBondContact O-CB 3.46Å; I427-N431 PolarHBondContact O-N 2.83Å; I427-N431 PolarHBondContact O-ND2 2.96Å
428Q46.9Very low46.5Very low126 Ų126100 Ų10059%0.58951%0.507SS*.Hα-helixtrans-69.6-32.8173-76.2-176.838.100112.2E424 E426 C432E424-Q428 VanDerWaalsContact O-CB 3.31Å; E424-Q428 WeakPolarHBondContact O-CB 3.47Å; E424-Q428 VanDerWaalsContact O-CG 3.27Å; E424-Q428 WeakPolarHBondContact O-CG 3.47Å; E424-Q428 PolarHBondContact O-N 2.97Å; E426-Q428 PolarHBondContact O-N 2.69Å; Q428-C432 WeakPolarHBondContact O-CB 3.22Å; Q428-C432 PolarHBondContact O-N 3.49Å; Q428-C432 PolarHBondContact O-SG 3.11Å
429R47.3Very low45.8Very low143 Ų143101.6 Ų101.654%0.5451%0.513SS..Hα-helixtrans-67.4-41.1171.6-80.2179.1-81-111.63.8111.6E425 E426 C432 Q433E425-R429 WeakPolarHBondContact O-CB 3.12Å; E425-R429 VanDerWaalsContact O-CG 3.28Å; E425-R429 WeakPolarHBondContact O-CG 3.26Å; E425-R429 PolarHBondContact O-N 3.3Å; E425-R429 PolarHBondContact O-NE 2.81Å; E425-R429 IonicContact OE2-CZ 2.73Å; E425-R429 IonicContact OE2-NH1 2.74Å; E425-R429 PolarHBondContact OE2-NH1 3.46Å; E425-R429 IonicContact OE2-NH2 3.56Å; E425-R429 PolarHBondContact OE2-NH2 3.42Å; E426-R429 CarbonylContact O-C 3.59Å; E426-R429 WeakPolarHBondContact O-CA 3.27Å; E426-R429 WeakPolarHBondContact O-CB 3.37Å; E426-R429 PolarHBondContact O-N 2.99Å; E426-R429 VanDerWaalsContact O-N 3.1Å; R429-C432 PolarHBondContact O-N 3.36Å; R429-Q433 WeakPolarHBondContact O-CB 3.4Å; R429-Q433 PolarHBondContact O-N 3.16Å
430E45.2Very low45.3Very low124 Ų12499.6 Ų99.658%0.57951%0.507SS*.Hα-helixtrans-65.9-44.5173.1-68.8-162.7130.700112.3E426 I427 C432 Q433 D434E426-E430 PolarHBondContact O-N 2.63Å; I427-E430 PolarHBondContact O-N 2.97Å; E430-C432 VanDerWaalsContact C-N 3.3Å; E430-C432 PolarHBondContact O-N 3.32Å; E430-Q433 CarbonylContact O-C 3.6Å; E430-Q433 WeakPolarHBondContact O-CA 3.03Å; E430-Q433 WeakPolarHBondContact O-CB 3.32Å; E430-Q433 PolarHBondContact O-N 2.9Å; E430-D434 PolarHBondContact O-N 3.03Å
431N42.1Very low44.4Very low91 Ų9199.9 Ų99.949%0.48751%0.514SS..Hα-helixtrans-63.6-32.8174.8-81-80.1000112.7I427 N435I427-N431 WeakPolarHBondContact CG2-ND2 3.38Å; I427-N431 WeakPolarHBondContact O-CB 3.46Å; I427-N431 PolarHBondContact O-N 2.83Å; I427-N431 PolarHBondContact O-ND2 2.96Å; N431-N435 PolarHBondContact O-N 3.35Å; N431-N435 VanDerWaalsContact O-N 3.11Å; N431-N435 PolarHBondContact O-ND2 3.47Å
432C40Very low43.8Very low76 Ų7699.5 Ų99.551%0.51452%0.521SS..Hα-helixtrans-66.1-40.1168.7-75.20000111.9Q428 R429 E430 D434 N435 I436Q428-C432 WeakPolarHBondContact O-CB 3.22Å; Q428-C432 PolarHBondContact O-N 3.49Å; Q428-C432 PolarHBondContact O-SG 3.11Å; R429-C432 PolarHBondContact O-N 3.36Å; E430-C432 VanDerWaalsContact C-N 3.3Å; E430-C432 PolarHBondContact O-N 3.32Å; C432-D434 VanDerWaalsContact C-N 3.32Å; C432-D434 PolarHBondContact O-N 3.13Å; C432-N435 PolarHBondContact O-N 3Å; C432-I436 WeakPolarHBondContact O-CG1 3.35Å; C432-I436 PolarHBondContact O-N 3Å
433Q45.4Very low43.4Very low121 Ų121103.1 Ų103.157%0.56553%0.53SS*.Hα-helixtrans-61.7-38.9176.6-158.283.5-31.300111.6R429 E430 I436 S437R429-Q433 WeakPolarHBondContact O-CB 3.4Å; R429-Q433 PolarHBondContact O-N 3.16Å; E430-Q433 CarbonylContact O-C 3.6Å; E430-Q433 WeakPolarHBondContact O-CA 3.03Å; E430-Q433 WeakPolarHBondContact O-CB 3.32Å; E430-Q433 PolarHBondContact O-N 2.9Å; Q433-I436 CarbonylContact O-C 3.57Å; Q433-I436 WeakPolarHBondContact O-CB 3.14Å; Q433-I436 PolarHBondContact O-N 3.34Å; Q433-S437 PolarHBondContact O-N 3Å
434D37.8Very low43Very low104 Ų104104.6 Ų104.656%0.55654%0.535SS*.Hα-helixtrans-77.2-28.7177.5-90.8-32.5000114.4E430 C432 I436 S437 S438E430-D434 PolarHBondContact O-N 3.03Å; C432-D434 VanDerWaalsContact C-N 3.32Å; C432-D434 PolarHBondContact O-N 3.13Å; D434-I436 PolarHBondContact O-N 3.08Å; D434-S437 WeakPolarHBondContact CA-OG 3.47Å; D434-S437 PolarHBondContact O-N 3.11Å; D434-S437 VanDerWaalsContact O-N 3.17Å; D434-S437 PolarHBondContact O-OG 2.91Å; D434-S437 PolarHBondContact OD1-OG 2.89Å; D434-S438 PolarHBondContact O-N 3.42Å; D434-S438 PolarHBondContact O-OG 3.12Å
435N40Very low42.3Very low107 Ų107103.9 Ų103.957%0.57254%0.535SS*.Hα-helixtrans-66.7-30.3166.2-79.4-76.7000111.8N431 C432 S438 M439N431-N435 PolarHBondContact O-N 3.35Å; N431-N435 VanDerWaalsContact O-N 3.11Å; N431-N435 PolarHBondContact O-ND2 3.47Å; C432-N435 PolarHBondContact O-N 3Å; N435-S438 PolarHBondContact O-OG 3.34Å; N435-S438 VanDerWaalsContact O-OG 3.14Å; N435-M439 PolarHBondContact O-N 3.3Å
436I42.4Very low41.7Very low96 Ų96103.7 Ų103.749%0.49254%0.541SS..Hα-helixtrans-73.9-32.2169.7-66.4164.8000111.4C432 Q433 D434 N440C432-I436 WeakPolarHBondContact O-CG1 3.35Å; C432-I436 PolarHBondContact O-N 3Å; Q433-I436 CarbonylContact O-C 3.57Å; Q433-I436 WeakPolarHBondContact O-CB 3.14Å; Q433-I436 PolarHBondContact O-N 3.34Å; D434-I436 PolarHBondContact O-N 3.08Å; I436-N440 PolarHBondContact O-N 3.08Å; I436-N440 VanDerWaalsContact O-N 3.1Å; I436-N440 PolarHBondContact O-ND2 3.44Å
437S46.5Very low40.9Very low58 Ų58108.8 Ų108.841%0.40656%0.555SS.*Hα-helixtrans-68.3-43.7176.288.70000111.6Q433 D434 N440 M441Q433-S437 PolarHBondContact O-N 3Å; D434-S437 WeakPolarHBondContact CA-OG 3.47Å; D434-S437 PolarHBondContact O-N 3.11Å; D434-S437 VanDerWaalsContact O-N 3.17Å; D434-S437 PolarHBondContact O-OG 2.91Å; D434-S437 PolarHBondContact OD1-OG 2.89Å; S437-N440 PolarHBondContact O-N 3.23Å; S437-M441 PolarHBondContact O-N 3.09Å
438S41Very low39.9Very low69 Ų69112.1 Ų112.148%0.48357%0.566SS.*Hα-helixtrans-65.7-39.3176.671.80000113.1D434 N435 N440 M441D434-S438 PolarHBondContact O-N 3.42Å; D434-S438 PolarHBondContact O-OG 3.12Å; N435-S438 PolarHBondContact O-OG 3.34Å; N435-S438 VanDerWaalsContact O-OG 3.14Å; S438-N440 VanDerWaalsContact C-N 3.34Å; S438-N440 PolarHBondContact O-N 3.39Å; S438-M441 PolarHBondContact O-N 2.9Å
439M36.7Very low39.3Very low140 Ų140114 Ų11469%0.6957%0.574SS**Hα-helixtrans-66.8-31.4172.6-78.8-165167.700113.1N435 S442 I443N435-M439 PolarHBondContact O-N 3.3Å; M439-S442 WeakPolarHBondContact O-CB 3.4Å; M439-S442 PolarHBondContact O-N 2.95Å; M439-I443 PolarHBondContact O-N 2.76Å
440N40.1Very low38.5Very low81 Ų81113.7 Ų113.743%0.43358%0.583SS.*Hα-helixtrans-70-29.7175.5-88-78.9000113.2I436 S437 S438 S442 I443 Q444I436-N440 PolarHBondContact O-N 3.08Å; I436-N440 VanDerWaalsContact O-N 3.1Å; I436-N440 PolarHBondContact O-ND2 3.44Å; S437-N440 PolarHBondContact O-N 3.23Å; S438-N440 VanDerWaalsContact C-N 3.34Å; S438-N440 PolarHBondContact O-N 3.39Å; N440-S442 VanDerWaalsContact C-N 3.28Å; N440-S442 PolarHBondContact O-N 2.93Å; N440-I443 PolarHBondContact O-N 3.28Å; N440-Q444 PolarHBondContact O-N 2.58Å
441M35.5Very low37.9Very low117 Ų117117 Ų11758%0.57660%0.598SS**Hα-helixtrans-62.6-34.1171-77.6-65.5-67.400112.6S437 S438 N445S437-M441 PolarHBondContact O-N 3.09Å; S438-M441 PolarHBondContact O-N 2.9Å; M441-N445 PolarHBondContact O-N 3.06Å; M441-N445 PolarHBondContact O-ND2 3.33Å
442S37.1Very low37.1Very low76 Ų76117.2 Ų117.253%0.53161%0.612SS.*Hα-helixtrans-64.2-44.3173.3-175.40000112.1M439 N440 N445 T446M439-S442 WeakPolarHBondContact O-CB 3.4Å; M439-S442 PolarHBondContact O-N 2.95Å; N440-S442 VanDerWaalsContact C-N 3.28Å; N440-S442 PolarHBondContact O-N 2.93Å; S442-N445 PolarHBondContact O-N 3.15Å; S442-T446 PolarHBondContact O-N 3.05Å; S442-T446 PolarHBondContact O-OG1 2.83Å
443I40.8Very low36.4Very low112 Ų112121.1 Ų121.157%0.57463%0.628SS**Hα-helixtrans-71.9-36.5-176.8-62.4173.5000111.6M439 N440 N445 T446 W447M439-I443 PolarHBondContact O-N 2.76Å; N440-I443 PolarHBondContact O-N 3.28Å; I443-N445 VanDerWaalsContact C-N 3.35Å; I443-N445 PolarHBondContact O-N 3.44Å; I443-T446 PolarHBondContact O-N 3.21Å; I443-W447 PolarHBondContact O-N 3.37Å
444Q39Very low35.5Very low124 Ų124123.8 Ų123.858%0.57964%0.64SS**Hα-helixtrans-66.7-32.2175.5-73.2-164.44.600113.6N440 T446 W447 K448N440-Q444 PolarHBondContact O-N 2.58Å; Q444-T446 VanDerWaalsContact C-N 3.31Å; Q444-T446 PolarHBondContact O-N 3.12Å; Q444-W447 PolarHBondContact O-N 2.92Å; Q444-K448 PolarHBondContact O-N 3.29Å
445N35.8Very low35.1Very low100 Ų100126.8 Ų126.854%0.53565%0.654SS.*Hα-helixtrans-65.8-35.7174.6-74.5-23.9000112M441 S442 I443M441-N445 PolarHBondContact O-N 3.06Å; M441-N445 PolarHBondContact O-ND2 3.33Å; S442-N445 PolarHBondContact O-N 3.15Å; I443-N445 VanDerWaalsContact C-N 3.35Å; I443-N445 PolarHBondContact O-N 3.44Å
446T37.8Very low34.3Very low102 Ų102124.9 Ų124.963%0.62666%0.66SS**Hα-helixtrans-68.8-33.9177.4-54.20000112.1S442 I443 Q444S442-T446 PolarHBondContact O-N 3.05Å; S442-T446 PolarHBondContact O-OG1 2.83Å; I443-T446 PolarHBondContact O-N 3.21Å; Q444-T446 VanDerWaalsContact C-N 3.31Å; Q444-T446 PolarHBondContact O-N 3.12Å
447W30.4Very low33.5Very low225 Ų225131.9 Ų131.985%0.85268%0.68SS**Hα-helixtrans-84.8-11.5-174.5-14749.7000115.2I443 Q444 H449I443-W447 PolarHBondContact O-N 3.37Å; Q444-W447 PolarHBondContact O-N 2.92Å; W447-H449 VanDerWaalsContact C-N 3.33Å
448K31Very low32.4Very low163 Ų163133.1 Ų133.171%0.70969%0.694SS**G310 helixtrans-77.9-14170-79.6-178.3176173.70114Q444 L450Q444-K448 PolarHBondContact O-N 3.29Å; K448-L450 PolarHBondContact O-N 3.49Å
449H33.6Very low31.7Very low164 Ų164135.8 Ų135.876%0.75971%0.708SS**G310 helixtrans-857.3-173.8-95.7-73.4000116.3W447W447-H449 VanDerWaalsContact C-N 3.33Å
450L31.5Very low31.2Very low137 Ų137137.9 Ų137.972%0.71771%0.713SS**G310 helixtrans-119.90.2-176.7-78.5170.9000116.3K448K448-L450 PolarHBondContact O-N 3.49Å
451H30.6Very low30.6Very low194 Ų194138 Ų13890%0.89873%0.725SS**SBendtrans-142.866.7170.6-82.6-47.1000111.7
452A26.2Very low30.1Very low96 Ų96140 Ų14079%0.79373%0.733SS**  trans-147.844.5170.700000111.4
453D26.2Very low29.6Very low158 Ų158143.6 Ų143.685%0.84575%0.746SS**  trans-108143.7164.6-136.1-24.9000108.8
454H26.4Very low28.9Very low176 Ų176145.9 Ų145.982%0.81576%0.755SS**SBendtrans71.5135.7-172.1-109.2-84.8000119.7
455I27.8Very low28.3Very low167 Ų167145.6 Ų145.686%0.85676%0.757SS**  trans72.7128.7174.3-47.8175.6000114.8
456G24.6Very low27.8Very low67 Ų67147.9 Ų147.969%0.69176%0.762SS**  trans-157.8-156.1176.500000112.3
457R24.3Very low27.3Very low244 Ų244147 Ų14792%0.92176%0.76SS**  trans86.6110.5176.2-167.2-178.6-129.5-102.50.4117.1
458A23.7Very low27.1Very low83 Ų83145 Ų14569%0.68676%0.76SS**  trans70.7153151.100000117.5
459T27.7Very low26.9Very low126 Ų126142.1 Ų142.177%0.77376%0.761SS**  cis-157.9142.2-8.230000111.7
460K25.9Very low26.4Very low184 Ų184146.2 Ų146.280%0.877%0.769SS**  trans39.3159.1135-80.1-163.3166.2-147.20124.5
461A26.7Very low26Very low84 Ų84146.9 Ų146.969%0.69477%0.769SS**  trans81.6153.1162.300000117.5
462E25.1Very low25.6Very low159 Ų159145.3 Ų145.374%0.74376%0.76SS**  cis-177.9-179-44.9-106.5155.6174.100107.8
463D25.9Very low25.4Very low151 Ų151149.2 Ų149.281%0.80776%0.762SS**  trans67.4132.2-179.4-56.9-19.4000116.4
464E26.9Very low25.4Very low160 Ų160146.5 Ų146.575%0.74876%0.755SS**  cis74.8145.347.9-77.3-143.7-157.100115K466E464-K466 IonicContact OE2-NZ 3.13Å; E464-K466 PolarHBondContact OE2-NZ 2.84Å; E464-K466 VanDerWaalsContact OE2-NZ 3.13Å
465D25.8Very low25.2Very low117 Ų117149.4 Ų149.463%0.62676%0.76SS**  cis-171.2178.6-24.9-177.927.2000107.8
466K26.4Very low25Very low149 Ų149150.2 Ų150.265%0.64876%0.758SS**  trans85.7116.7155.8-53.7-176.1179.755.40119.4E464E464-K466 IonicContact OE2-NZ 3.13Å; E464-K466 PolarHBondContact OE2-NZ 2.84Å; E464-K466 VanDerWaalsContact OE2-NZ 3.13Å
467S26.5Very low25Very low84 Ų84151.9 Ų151.959%0.58776%0.759SS**  trans-50.3156.2155.749.50000115.1
468H25.5Very low25.1Very low181 Ų181149 Ų14984%0.83876%0.755SS**  -174.9163.8100-92.7-58000114
469S27.6Very low25Very low104 Ų104148.3 Ų148.373%0.72776%0.757SS**  trans-102.8160.2175.254.90000111.8
470R23.3Very low24.8Very low249 Ų249149.5 Ų149.594%0.9476%0.763SS**  trans-165.2153148-109.7166.1-155.8-144.84.1112.3
471Q23.4Very low24.7Very low151 Ų151148.9 Ų148.971%0.70677%0.765SS**  trans-83.9156.1170.7-57.6147.4-70.400109.8
472F22Very low24.6Very low161 Ų161150 Ų15071%0.70677%0.768SS**  174.8148.796.3-104.3-69.4000115.5
473Q21.5Very low24.6Very low179 Ų179151.5 Ų151.584%0.83677%0.772SS**  trans68.1166.1147.8-90.8156.98.200121.2
474S26.2Very low24.5Very low101 Ų101148.7 Ų148.771%0.70677%0.769SS**  trans-116.2166.9-165.153.90000111.3
475Y22Very low24.3Very low237 Ų237147.2 Ų147.293%0.92978%0.776SS**  trans-148.2151.9149-116.9-81.2000112.2
476K24.2Very low24.2Very low184 Ų184147.5 Ų147.580%0.878%0.782SS**  trans-95.8159.9169.9-63.3173.4175.2175.40109.7
477S25.4Very low24.1Very low102 Ų102146.6 Ų146.671%0.71378%0.784SS**  -177.1136.1119.947.70000114.6
478H24.9Very low24Very low183 Ų183149.6 Ų149.685%0.84779%0.793SS**  trans25.8149.3140.5-52.2-72.6000122.5
479G22.6Very low24Very low69 Ų69147.1 Ų147.171%0.71179%0.786SS**  cis119.7126.9-200000114.3
480V23.1Very low23.9Very low151 Ų151148.8 Ų148.892%0.91578%0.783SS**  trans-138.8147174.81790000109.7
481M23.8Very low23.9Very low171 Ų171143.2 Ų143.284%0.84277%0.769SS**  trans-116.2155.3-174.2-61167.85700113
482S25.3Very low24Very low106 Ų106144.5 Ų144.574%0.74177%0.772SS**  trans163.2153.2134.1-79.80000110.9
483K25Very low24.1Very low192 Ų192143.1 Ų143.184%0.83578%0.777SS**  cis-161.5161-17.4-114.1176.8-178.3-1790107.3
484A24.1Very low24.4Very low91 Ų91140.5 Ų140.575%0.75278%0.776SS**  trans-101.2150.5164.700000110.7
485C22.4Very low24.5Very low130 Ų130143.1 Ų143.188%0.87878%0.781SS**  trans-149.4156.5163.9-86.50000109
486T22.7Very low24.6Very low123 Ų123141.9 Ų141.976%0.75578%0.78SS**  trans-131.9171.3-175.3540000112
487N24.9Very low24.6Very low129 Ų129138.4 Ų138.469%0.6978%0.779SS**  trans110.9124.8159.6-5612.6000116
488D24.8Very low24.4Very low148 Ų148138 Ų13879%0.79178%0.782SS**  trans37.5145.7134.7-39.8-30.3000120.3
489D24.5Very low24.4Very low129 Ų129136.5 Ų136.569%0.6978%0.78SS**  cis-151.8-167.314.2-155.620.7000107.7
490Q26.8Very low24.7Very low139 Ų139139 Ų13965%0.6578%0.783SS**  cis-155.7128.49.7-174.7163.5108.400113.7
491M23Very low24.7Very low131 Ų131137.6 Ų137.665%0.64578%0.775SS**  trans63.5156.7157.3-72.2-178.7-16500118.9
492K25Very low24.7Very low179 Ų179138 Ų13878%0.77878%0.775SS**  cis-149.3134.24.9-131.8153.8-172.4154.90112.2
493T23.2Very low24.5Very low131 Ų131136.6 Ų136.680%0.80477%0.769SS**  trans-79.3176.1162.411.50000110.5
494P29Very low24.4Very low125 Ų125132.6 Ų132.681%0.81276%0.764SS**  cis-143.9170.232.742.9-22.4000120
495L27.9Very low24.3Very low156 Ų156137.1 Ų137.182%0.81776%0.763SS**  trans-61.7155.3165.4-146.478.5000112.8
496K23.6Very low24.5Very low211 Ų211141.8 Ų141.892%0.91776%0.762SS**  trans-141.3150.1146.5-87.4-162.2175.6-178.10111.2
497S23.9Very low24.6Very low111 Ų111143.1 Ų143.178%0.77676%0.76SS**  trans-115.4156.9-175.549.60000111.7
498A22.4Very low24.7Very low93 Ų93141.4 Ų141.477%0.76976%0.758SS**  trans168.6145.8136.400000112.4
499N24.9Very low24.7Very low152 Ų152141.2 Ų141.281%0.81375%0.752SS**  trans-85.8151.5155.4-73.8-20.3000109.1
500P28.4Very low24.9Very low120 Ų120140.5 Ų140.578%0.77975%0.745SS**  -133158.999.232.3-18.7000111.7
501V22.8Very low24.9Very low122 Ų122140.2 Ų140.274%0.73975%0.748SS**  cis82.798.235.1-177.80000114.5
502H23.9Very low25.1Very low181 Ų181141.9 Ų141.984%0.83875%0.751SS**  trans78.3149.2151.3-116.6-94.9000123.2
503A21.1Very low25.1Very low75 Ų75138.2 Ų138.262%0.6275%0.749SS**  trans85.8103.4143.500000123.2
504C22.1Very low25.2Very low109 Ų109138.4 Ų138.474%0.73674%0.744SS**  88.4122117.4-65.10000124.3
505Y22.9Very low24.9Very low186 Ų186141.1 Ų141.173%0.72974%0.739SS**  trans56.9117130.6-79.5-101.3000122.7E507Y505-E507 HydrophobicContact CD1-CG 3.99Å; Y505-E507 HydrophobicContact CE1-CG 4.38Å
506R26.2Very low24.7Very low228 Ų228142.4 Ų142.486%0.8674%0.738SS**  -146.4148.393.6-69.3-154.1-174.6-166.81.1108
507E24.8Very low24.7Very low151 Ų151137 Ų13771%0.70673%0.733SS**  cis65.9132.848.8-65.7179.6160.100113.2Y505Y505-E507 HydrophobicContact CD1-CG 3.99Å; Y505-E507 HydrophobicContact CE1-CG 4.38Å
508S27.3Very low24.8Very low93 Ų93141.8 Ų141.865%0.6574%0.74SS**  cis-144.2-173.61.557.20000109.2
509E25.4Very low24.9Very low143 Ų143143.1 Ų143.167%0.66874%0.744SS**  cis-163.8142.117.9-156.9114.8-152.900113.8
510Q28.8Very low24.9Very low115 Ų115141.4 Ų141.454%0.53774%0.744SS.*  trans37.6143.1145.6-66.2178.377.400122.1
511N26.1Very low24.6Very low133 Ų133141.8 Ų141.871%0.71175%0.748SS**  cis-140.7142.633.5-80.6-75.8000111.4
512K27.8Very low24.6Very low165 Ų165142.9 Ų142.972%0.71775%0.749SS**  56.7130.976.6-64.2171.21791630113.3
513S24.8Very low24.8Very low103 Ų103143.1 Ų143.172%0.7275%0.751SS**  cis-149.1143.89.956.60000111.5
514L24.2Very low24.9Very low135 Ų135146.9 Ų146.971%0.70776%0.761SS**  38.3133.699.3-60.6166.2000114.8
515Y23.7Very low25Very low182 Ų182150.2 Ų150.271%0.71477%0.77SS**  cis-163.7153.829.6-119.9-46.6000114.3
516K24.7Very low25.1Very low182 Ų182151.5 Ų151.579%0.79177%0.774SS**  trans40.8128.3139.1-94.8176.5-178.31770123.1
517A22.4Very low25Very low99 Ų99147.5 Ų147.582%0.81877%0.765SS**  115.7145.8117.900000121.1
518K26.3Very low25Very low210 Ų210148.8 Ų148.891%0.91377%0.771SS**  trans-52.2144.9-176.5-55.7168.3174.2-178.80115.8
519S24.2Very low24.9Very low121 Ų121151.3 Ų151.385%0.84678%0.783SS**  trans-155.7139.5131.961.90000111.8
520S24.6Very low24.8Very low117 Ų117150.6 Ų150.682%0.81879%0.788SS**  trans-89.9145.2170.252.10000111.7
521C22.7Very low24.5Very low128 Ų128155.2 Ų155.287%0.86581%0.807SS**  trans-155.8155.4139.2-149.50000111.9
522N23.6Very low24.3Very low144 Ų144156.4 Ų156.477%0.7781%0.808SS**  trans-88.1159.3167.3-58.8-72.2000109.4
523Q26.5Very low24.2Very low187 Ų187158.5 Ų158.587%0.87482%0.817SS**  -172.8160.9108.3-100.117210.900112.4
524N24.8Very low24.1Very low154 Ų154159 Ų15982%0.82481%0.812SS**  trans-84.2160.3-176-43.3-77.5000111.6
525L24.5Very low24Very low179 Ų179163.1 Ų163.194%0.93783%0.825SS**  trans-151.2164137.9-110.4162.4000110.1
526R24.2Very low24Very low212 Ų212161 Ų16180%0.882%0.824SS**  trans-136.6-178.7-162.5-137.7-175.2-171.2-124.34.1110.5
527E24.7Very low23.9Very low145 Ų145158.1 Ų158.168%0.67883%0.827SS**  trans65.3117180-73.3111.4-118.200114.7
528E24.6Very low24Very low177 Ų177161.8 Ų161.883%0.82783%0.827SS**  75.3111.662.6-73.5-164153.500114.5
529T23.7Very low23.9Very low147 Ų147157.6 Ų157.690%0.90282%0.824SS**  -163146.6128.75.60000111
530T23.3Very low24Very low128 Ų128157.1 Ų157.179%0.78582%0.821SS**  trans-90.6156.5174.839.40000111.6
531F22.8Very low24Very low211 Ų211157.9 Ų157.993%0.92582%0.816SS**  trans-153.5126.6148.2-107.6-69.1000111.9
532E23Very low24.2Very low158 Ų158161.2 Ų161.274%0.73882%0.818SS**  trans-84.3160.2166.2-60.3-178.4121.700111.1
533K24.4Very low24.3Very low210 Ų210159 Ų15991%0.91381%0.81SS**  trans-155.4126.8137.8-117.2165.4-171.3173.30112.3
534N22.7Very low24.2Very low114 Ų114160 Ų16061%0.6181%0.812SS**  trans-84.5152.8177.2-67.7-68000111.6
535F22.5Very low24.3Very low221 Ų221161.6 Ų161.697%0.96981%0.811SS**  trans-140.8145.5142.3-100.4-74.3000110
536I23.1Very low24.2Very low137 Ų137161.6 Ų161.670%0.70381%0.806SS**  trans-125.6140.9-171.8-63.1169.5000108.8Q538I536-Q538 HydrophobicContact CG2-CG 3.99Å
537S23Very low24.3Very low122 Ų122157.4 Ų157.485%0.85381%0.807SS**  trans-140.1138155.357.80000109.5
538Q24.7Very low24.3Very low176 Ų176156.6 Ų156.682%0.82281%0.811SS**  trans-112.1150.7-169.7-58.1169.9-68.600112.3I536I536-Q538 HydrophobicContact CG2-CG 3.99Å
539S23.7Very low24.3Very low121 Ų121157.5 Ų157.585%0.84682%0.815SS**  trans155.2144.1140.847.60000110.2
540S26.6Very low24.3Very low112 Ų112157.8 Ų157.878%0.78381%0.809SS**  cis-145.4155.2-6.652.70000111
541D25.6Very low24.3Very low132 Ų132155.6 Ų155.671%0.70680%0.804SS**  trans-68.7151.8-171.9-52.8-102.3000116.1
542H27.5Very low24.7Very low199 Ų199155.2 Ų155.292%0.92180%0.802SS**  trans-140.597131.4-92.2-47.3000112.1
543V25.5Very low24.6Very low98 Ų98154.9 Ų154.959%0.59481%0.806SS**  trans-40.7130.2179.8179.10000115.8K545V543-K545 HydrophobicContact CG1-CG 3.86Å
544F24.6Very low24.9Very low207 Ų207152.3 Ų152.391%0.90880%0.8SS**  trans-118.4141.4140.2-105.5-93.2000109.5
545K25.6Very low25Very low187 Ų187155.9 Ų155.981%0.81381%0.81SS**PPolyproline II helixtrans-90.4121.6-169.1-66.1-178.1178.4179.90112.3V543V543-K545 HydrophobicContact CG1-CG 3.86Å
546H22.6Very low25.1Very low179 Ų179154.3 Ų154.383%0.82981%0.806SS**PPolyproline II helixtrans-70.1138.6162.8-72.8-79.2000111.2
547P27Very low25.1Very low125 Ų125157.1 Ų157.181%0.81282%0.816SS**PPolyproline II helixtrans-64.4148.5161.7-20.734.1000111.8
548V23.8Very low25.2Very low128 Ų128158.9 Ų158.978%0.77682%0.815SS**PPolyproline II helixtrans-81.7137.8-169.8174.90000112.7I550V548-I550 HydrophobicContact CG1-CG1 4.47Å
549H25.5Very low25.4Very low195 Ų195155.6 Ų155.690%0.90381%0.809SS**PPolyproline II helixtrans-63.6126.9168.2-81.2-83.3000112
550I23.9Very low25.8Very low153 Ų153156.9 Ų156.979%0.78581%0.812SS**  trans-134.7134.2163.4-63.4-175.4000110.1V548V548-I550 HydrophobicContact CG1-CG1 4.47Å
551A21.9Very low25.9Very low82 Ų82155.5 Ų155.568%0.67880%0.798SS**  trans50.6103.1165.500000118.8N553A551-N553 PolarHBondContact O-N 3.19Å
552K30.9Very low26.4Very low203 Ų203152.8 Ų152.888%0.88378%0.784SS**  trans-58.8128.2152.2-68.4175.3178176.30108.8
553N21.8Very low26.8Very low152 Ų152145.1 Ų145.181%0.81375%0.752SS**  trans-128.1109.3167.9-137.4-31.6000108.5A551 K555A551-N553 PolarHBondContact O-N 3.19Å; N553-K555 PolarHBondContact O-N 2.87Å
554I31.1Very low27.6Very low156 Ų156142.3 Ų142.380%0.873%0.732SS**  trans-84.2101.1-167.2-60.8173.2000109.5
555K24.7Very low28.2Very low188 Ų188135.3 Ų135.382%0.81771%0.706SS**  trans-137.4109.5159.5-71.8-164.8175.4-173.90110.1N553N553-K555 PolarHBondContact O-N 2.87Å
556Q24.5Very low28.7Very low189 Ų189128.2 Ų128.288%0.88368%0.676SS**  trans29.589.1162.6-70.1171.4-25.800116L558Q556-L558 PolarHBondContact O-N 2.88Å
557Q23.8Very low29.3Very low195 Ų195120.3 Ų120.391%0.91164%0.641SS**PPolyproline II helixtrans-62.8118.1151.9-74.9177.5-41.500107.9
558L24.5Very low29.6Very low160 Ų160116.9 Ų116.984%0.83862%0.62SS**PPolyproline II helixtrans-61.5134.4159.2-79.6156.8000107.6Q556 V560Q556-L558 PolarHBondContact O-N 2.88Å; L558-V560 PolarHBondContact O-N 3.38Å
559P27.6Very low30.1Very low107 Ų107114.3 Ų114.370%0.69560%0.602SS**PPolyproline II helixtrans-63.3139.4177.527.2-33.7000109.7T561P559-T561 PolarHBondContact O-N 2.98Å
560V32.4Very low30.9Very low148 Ų148106.5 Ų106.590%0.89757%0.567SS**  trans-68.1104.8168.9177.80000107L558 D562L558-V560 PolarHBondContact O-N 3.38Å; V560-D562 PolarHBondContact O-N 3.01Å
561T29.9Very low31.6Very low82 Ų82100.3 Ų100.350%0.50354%0.535SS..  trans-60128.2-180-44.20000110.1P559P559-T561 PolarHBondContact O-N 2.98Å
562D34.4Very low32.2Very low76 Ų76101 Ų10141%0.40653%0.527SS..  trans-60130.8174.8177.4-2.7000109.7V560 F564 T565 L566V560-D562 PolarHBondContact O-N 3.01Å; D562-F564 PolarHBondContact O-N 3.32Å; D562-F564 WeakPolarHBondContact OD1-CB 3.3Å; D562-F564 WeakPolarHBondContact OD1-CD2 3.46Å; D562-F564 PolarHBondContact OD1-N 3.5Å; D562-T565 WeakPolarHBondContact O-CA 3.46Å; D562-T565 PolarHBondContact O-N 2.8Å; D562-L566 PolarHBondContact O-N 2.99Å
563P37.7Very low32.5Very low37 Ų3799.1 Ų99.124%0.2452%0.519CS..Hα-helixtrans-42.7-30.8167.4-34.338.3000115.1Y81 L566 C567Y81-P563 HydrophobicContact CD2-CB 3.88Å; Y81-P563 HydrophobicContact CD2-CG 4.1Å; Y81-P563 HydrophobicContact CE1-CG 4.13Å; Y81-P563 HydrophobicContact CE2-CB 3.52Å; Y81-P563 HydrophobicContact CE2-CG 3.65Å; P563-L566 WeakPolarHBondContact O-CB 3.26Å; P563-L566 PolarHBondContact O-N 2.91Å; P563-C567 PolarHBondContact O-N 3.42Å; P563-C567 PolarHBondContact O-SG 3.13Å
564F41Very low33.3Very low40 Ų4094.3 Ų94.318%0.17549%0.492CS..Hα-helixtrans-79.4-30.5177.9-56.6-53.1000113.7R120 M121 D562 S568R120-F564 HydrophobicContact CB-CE1 4.26Å; M121-F564 HydrophobicContact CE-CD1 4.14Å; M121-F564 HydrophobicContact CE-CE1 3.32Å; M121-F564 HydrophobicContact CE-CZ 3.88Å; D562-F564 PolarHBondContact O-N 3.32Å; D562-F564 WeakPolarHBondContact OD1-CB 3.3Å; D562-F564 WeakPolarHBondContact OD1-CD2 3.46Å; D562-F564 PolarHBondContact OD1-N 3.5Å; F564-S568 PolarHBondContact O-N 3.23Å; F564-S568 PolarHBondContact O-OG 3.15Å
565T38.5Very low33.6Very low60 Ų6088.6 Ų88.637%0.36846%0.464SS..Hα-helixtrans-67.7-40.5164.4-33.70000109.6D562 C567 S568 D569D562-T565 WeakPolarHBondContact O-CA 3.46Å; D562-T565 PolarHBondContact O-N 2.8Å; T565-C567 VanDerWaalsContact C-N 3.29Å; T565-C567 PolarHBondContact O-N 2.96Å; T565-S568 CarbonylContact O-C 3.51Å; T565-S568 WeakPolarHBondContact O-CA 3.43Å; T565-S568 PolarHBondContact O-N 2.95Å; T565-D569 WeakPolarHBondContact CG2-OD2 3.1Å; T565-D569 VanDerWaalsContact O-CB 3.31Å; T565-D569 WeakPolarHBondContact O-CB 3.36Å; T565-D569 PolarHBondContact O-N 2.99Å
566L35.9Very low34.1Very low37 Ų3783.9 Ų83.919%0.19445%0.451CS..Hα-helixtrans-58.1-40.5176.8-17370.9000112.1D562 P563 D569 I570D562-L566 PolarHBondContact O-N 2.99Å; P563-L566 WeakPolarHBondContact O-CB 3.26Å; P563-L566 PolarHBondContact O-N 2.91Å; L566-D569 PolarHBondContact O-N 3.29Å; L566-I570 HydrophobicContact CD1-CD1 4.22Å; L566-I570 HydrophobicContact CD1-CG1 4.41Å; L566-I570 HydrophobicContact CD2-CD1 4.39Å; L566-I570 HydrophobicContact CG-CD1 3.82Å; L566-I570 HydrophobicContact CG-CG1 4.41Å; L566-I570 WeakPolarHBondContact O-CB 3.21Å; L566-I570 WeakPolarHBondContact O-CD1 3.3Å; L566-I570 VanDerWaalsContact O-CG1 3.22Å; L566-I570 WeakPolarHBondContact O-CG1 3.44Å; L566-I570 PolarHBondContact O-N 2.9Å
567C34.8Very low34.5Very low13 Ų1378.4 Ų78.49%0.08843%0.433CS..Hα-helixtrans-60.8-50.8171.9-65.50000111.3P563 T565 D569 I570 I571P563-C567 PolarHBondContact O-N 3.42Å; P563-C567 PolarHBondContact O-SG 3.13Å; T565-C567 VanDerWaalsContact C-N 3.29Å; T565-C567 PolarHBondContact O-N 2.96Å; C567-D569 VanDerWaalsContact C-N 3.28Å; C567-D569 PolarHBondContact O-N 2.7Å; C567-I570 PolarHBondContact O-N 2.89Å; C567-I571 VanDerWaalsContact O-CB 3.29Å; C567-I571 WeakPolarHBondContact O-CB 3.26Å; C567-I571 WeakPolarHBondContact O-CD1 3.26Å; C567-I571 WeakPolarHBondContact O-CG1 3.21Å; C567-I571 PolarHBondContact O-N 2.92Å
568S32.6Very low35.1Very low53 Ų5373.2 Ų73.237%0.37141%0.408SS..Hα-helixtrans-63.1-29.3176.6-67.80000113.7F564 T565 N572F564-S568 PolarHBondContact O-N 3.23Å; F564-S568 PolarHBondContact O-OG 3.15Å; T565-S568 CarbonylContact O-C 3.51Å; T565-S568 WeakPolarHBondContact O-CA 3.43Å; T565-S568 PolarHBondContact O-N 2.95Å; S568-N572 WeakPolarHBondContact O-CB 3.31Å; S568-N572 PolarHBondContact O-N 3.41Å; S568-N572 PolarHBondContact O-ND2 3.44Å
569D35.3Very low35.6Very low75 Ų7568.3 Ų68.340%0.40138%0.382SS..Hα-helixtrans-83.8-35.2-178.6-71-22000111.7T565 L566 C567 K573T565-D569 WeakPolarHBondContact CG2-OD2 3.1Å; T565-D569 VanDerWaalsContact O-CB 3.31Å; T565-D569 WeakPolarHBondContact O-CB 3.36Å; T565-D569 PolarHBondContact O-N 2.99Å; L566-D569 PolarHBondContact O-N 3.29Å; C567-D569 VanDerWaalsContact C-N 3.28Å; C567-D569 PolarHBondContact O-N 2.7Å; D569-K573 WeakPolarHBondContact O-CB 3.45Å; D569-K573 PolarHBondContact O-N 2.88Å
570I41.1Very low35.6Very low30 Ų3065.8 Ų65.815%0.15437%0.371CS..Hα-helixtrans-66.2-46.2167.4-67.2163.6000109.1E88 Y124 L566 C567 K573 E574E88-I570 HydrophobicContact CG-CD1 4.47Å; E88-I570 WeakPolarHBondContact OE1-CD1 3.45Å; E88-I570 VanDerWaalsContact OE2-CD1 3.27Å; E88-I570 WeakPolarHBondContact OE2-CD1 3.29Å; Y124-I570 HydrophobicContact CE2-CD1 4.49Å; L566-I570 HydrophobicContact CD1-CD1 4.22Å; L566-I570 HydrophobicContact CD1-CG1 4.41Å; L566-I570 HydrophobicContact CD2-CD1 4.39Å; L566-I570 HydrophobicContact CG-CD1 3.82Å; L566-I570 HydrophobicContact CG-CG1 4.41Å; L566-I570 WeakPolarHBondContact O-CB 3.21Å; L566-I570 WeakPolarHBondContact O-CD1 3.3Å; L566-I570 VanDerWaalsContact O-CG1 3.22Å; L566-I570 WeakPolarHBondContact O-CG1 3.44Å; L566-I570 PolarHBondContact O-N 2.9Å; C567-I570 PolarHBondContact O-N 2.89Å; I570-K573 PolarHBondContact O-N 3.02Å; I570-E574 HydrophobicContact CG2-CG 4.3Å; I570-E574 WeakPolarHBondContact O-CB 3.32Å; I570-E574 PolarHBondContact O-N 3.18Å
571I39.6Very low35.4Very low23 Ų2362.2 Ų62.212%0.11835%0.349CS..Hα-helixtrans-61.3-49.9176-69.8164.5000110.1S181 C567 K573 E574 V575S181-I571 WeakPolarHBondContact OG-CD1 3.13Å; S181-I571 WeakPolarHBondContact OG-CG2 3.49Å; C567-I571 VanDerWaalsContact O-CB 3.29Å; C567-I571 WeakPolarHBondContact O-CB 3.26Å; C567-I571 WeakPolarHBondContact O-CD1 3.26Å; C567-I571 WeakPolarHBondContact O-CG1 3.21Å; C567-I571 PolarHBondContact O-N 2.92Å; I571-K573 VanDerWaalsContact C-N 3.28Å; I571-K573 PolarHBondContact O-N 3.09Å; I571-E574 PolarHBondContact O-N 3.41Å; I571-V575 HydrophobicContact CG2-CG2 3.96Å; I571-V575 WeakPolarHBondContact O-CA 3.16Å; I571-V575 WeakPolarHBondContact O-CB 3.28Å; I571-V575 WeakPolarHBondContact O-CG2 3.5Å; I571-V575 PolarHBondContact O-N 3.42Å
572N34.9Very low35.2Very low96 Ų9662.3 Ų62.351%0.51335%0.351SS..Hα-helixtrans-61-36.9176.6-77.4-31.6000111.6S568 V576S568-N572 WeakPolarHBondContact O-CB 3.31Å; S568-N572 PolarHBondContact O-N 3.41Å; S568-N572 PolarHBondContact O-ND2 3.44Å; N572-V576 WeakPolarHBondContact O-CA 3.13Å; N572-V576 WeakPolarHBondContact O-CB 3.47Å; N572-V576 WeakPolarHBondContact O-CG2 3.4Å; N572-V576 PolarHBondContact O-N 3Å
573K37.3Very low35.1Very low165 Ų16562.3 Ų62.372%0.71736%0.357SS*.Hα-helixtrans-78-37-179.2-172172-177.3175.20113.6D569 I570 I571 S577D569-K573 WeakPolarHBondContact O-CB 3.45Å; D569-K573 PolarHBondContact O-N 2.88Å; I570-K573 PolarHBondContact O-N 3.02Å; I571-K573 VanDerWaalsContact C-N 3.28Å; I571-K573 PolarHBondContact O-N 3.09Å; K573-S577 WeakPolarHBondContact O-CB 3.47Å; K573-S577 PolarHBondContact O-N 3.03Å
574E37.4Very low34.5Very low50 Ų5064.5 Ų64.523%0.23437%0.372CS..Hα-helixtrans-74.4-45.4172.9-71.2-162.7152.900110.5I570 I571 V576 S577 F578I570-E574 HydrophobicContact CG2-CG 4.3Å; I570-E574 WeakPolarHBondContact O-CB 3.32Å; I570-E574 PolarHBondContact O-N 3.18Å; I571-E574 PolarHBondContact O-N 3.41Å; E574-V576 PolarHBondContact O-N 3.04Å; E574-S577 CarbonylContact O-C 3.31Å; E574-S577 VanDerWaalsContact O-C 3.27Å; E574-S577 VanDerWaalsContact O-CA 3.3Å; E574-S577 WeakPolarHBondContact O-CA 3.34Å; E574-S577 WeakPolarHBondContact O-CB 3.26Å; E574-S577 PolarHBondContact O-N 3.29Å; E574-F578 HydrophobicContact CB-CD2 4.35Å; E574-F578 HydrophobicContact CB-CE2 4.02Å; E574-F578 WeakPolarHBondContact O-CD2 3.43Å; E574-F578 WeakPolarHBondContact O-CG 3.35Å; E574-F578 PolarHBondContact O-N 3.4Å
575V38Very low34Very low36 Ų3667.7 Ų67.722%0.21840%0.4CS..Hα-helixtrans-63.5-37.3174.3175.40000111.3I571 S577 F578 L579I571-V575 HydrophobicContact CG2-CG2 3.96Å; I571-V575 WeakPolarHBondContact O-CA 3.16Å; I571-V575 WeakPolarHBondContact O-CB 3.28Å; I571-V575 WeakPolarHBondContact O-CG2 3.5Å; I571-V575 PolarHBondContact O-N 3.42Å; V575-S577 VanDerWaalsContact C-N 3.34Å; V575-F578 PolarHBondContact O-N 2.96Å; V575-L579 HydrophobicContact CG1-CD1 3.57Å; V575-L579 HydrophobicContact CG1-CG 3.96Å; V575-L579 WeakPolarHBondContact O-CB 3.41Å; V575-L579 VanDerWaalsContact O-CG 3.27Å; V575-L579 WeakPolarHBondContact O-CG 3.12Å; V575-L579 PolarHBondContact O-N 3.28Å
576V35.1Very low33.9Very low89 Ų8974.7 Ų74.754%0.53943%0.425SS..Hα-helixtrans-70.4-29168.1171.30000111.6N572 E574 F578 A580N572-V576 WeakPolarHBondContact O-CA 3.13Å; N572-V576 WeakPolarHBondContact O-CB 3.47Å; N572-V576 WeakPolarHBondContact O-CG2 3.4Å; N572-V576 PolarHBondContact O-N 3Å; E574-V576 PolarHBondContact O-N 3.04Å; V576-F578 VanDerWaalsContact C-N 3.26Å; V576-F578 PolarHBondContact O-N 3.35Å; V576-A580 HydrophobicContact CG1-CB 4.48Å; V576-A580 WeakPolarHBondContact O-CA 3.48Å; V576-A580 WeakPolarHBondContact O-CB 3.31Å; V576-A580 PolarHBondContact O-N 3.15Å
577S32.2Very low33.4Very low74 Ų7479.8 Ų79.852%0.51745%0.45SS..Hα-helixtrans-77.5-5.8171.4-168.90000114.6K573 E574 V575 A580K573-S577 WeakPolarHBondContact O-CB 3.47Å; K573-S577 PolarHBondContact O-N 3.03Å; E574-S577 CarbonylContact O-C 3.31Å; E574-S577 VanDerWaalsContact O-C 3.27Å; E574-S577 VanDerWaalsContact O-CA 3.3Å; E574-S577 WeakPolarHBondContact O-CA 3.34Å; E574-S577 WeakPolarHBondContact O-CB 3.26Å; E574-S577 PolarHBondContact O-N 3.29Å; V575-S577 VanDerWaalsContact C-N 3.34Å; S577-A580 CarbonylContact C-O 3.59Å
578F36.3Very low33.2Very low87 Ų8783.4 Ų83.438%0.38247%0.468SS..Hα-helixtrans-109.5-27.9171.8-65.7-54.9000112.2N189 E574 V575 V576 A580N189-F578 HydrophobicContact CB-CZ 4.4Å; E574-F578 HydrophobicContact CB-CD2 4.35Å; E574-F578 HydrophobicContact CB-CE2 4.02Å; E574-F578 WeakPolarHBondContact O-CD2 3.43Å; E574-F578 WeakPolarHBondContact O-CG 3.35Å; E574-F578 PolarHBondContact O-N 3.4Å; V575-F578 PolarHBondContact O-N 2.96Å; V576-F578 VanDerWaalsContact C-N 3.26Å; V576-F578 PolarHBondContact O-N 3.35Å; F578-A580 CarbonylContact C-O 3.52Å
579L34.9Very low33.4Very low57 Ų5787.7 Ų87.730%0.29849%0.491SS..Hα-helixtrans-91.4-30.8176-69-179.9000113.1K275 V575K275-L579 HydrophobicContact CD-CD2 3.88Å; K275-L579 PolarHBondContact NZ-O 3.06Å; V575-L579 HydrophobicContact CG1-CD1 3.57Å; V575-L579 HydrophobicContact CG1-CG 3.96Å; V575-L579 WeakPolarHBondContact O-CB 3.41Å; V575-L579 VanDerWaalsContact O-CG 3.27Å; V575-L579 WeakPolarHBondContact O-CG 3.12Å; V575-L579 PolarHBondContact O-N 3.28Å
580A28.6Very low33.6Very low54 Ų5492.8 Ų92.845%0.44651%0.506SS..SBendtrans-77.2135152.900000106.8V576 S577 F578 P582V576-A580 HydrophobicContact CG1-CB 4.48Å; V576-A580 WeakPolarHBondContact O-CA 3.48Å; V576-A580 WeakPolarHBondContact O-CB 3.31Å; V576-A580 PolarHBondContact O-N 3.15Å; S577-A580 CarbonylContact C-O 3.59Å; F578-A580 CarbonylContact C-O 3.52Å; A580-P582 WeakPolarHBondContact O-CD 3.47Å
581T28.1Very low33.8Very low72 Ų72100.8 Ų100.844%0.44254%0.535SS..  trans-59.7120.2-178.628.20000111.3F315 S583F315-T581 HydrophobicContact CD1-CG2 4.5Å; F315-T581 HydrophobicContact CE1-CG2 3.97Å; T581-S583 VanDerWaalsContact C-N 3.32Å; T581-S583 PolarHBondContact O-N 3.42Å
582P26Very low34.3Very low85 Ų85100.5 Ų100.555%0.55254%0.535SS*.  trans-68.2101.5137.929.9-28.4000106.1A580 C584A580-P582 WeakPolarHBondContact O-CD 3.47Å; P582-C584 PolarHBondContact O-N 3.38Å
583S31.1Very low35Very low75 Ų75100.2 Ų100.252%0.52454%0.54SS..  trans-63.680.5178.4-50.20000110.7E355 T581E355-S583 WeakPolarHBondContact OE1-CB 3.46Å; E355-S583 PolarHBondContact OE1-OG 3.47Å; T581-S583 VanDerWaalsContact C-N 3.32Å; T581-S583 PolarHBondContact O-N 3.42Å
584C26.6Very low35.7Very low83 Ų8393.7 Ų93.756%0.56152%0.52SS*.  trans-146.611-169.1-153.40000113.6P582 K586P582-C584 PolarHBondContact O-N 3.38Å; C584-K586 PolarHBondContact O-N 3.36Å
585S29.1Very low36.6Very low108 Ų10894 Ų9476%0.75553%0.527SS*.THydrogen-bonded Turntrans-66.6122143.551.80000106.6
586K37.3Very low37.1Very low207 Ų20797 Ų9790%0.954%0.54SS*.THydrogen-bonded Turntrans70.259.3-172.5-51.7177.7-179.31760116.5C584C584-K586 PolarHBondContact O-N 3.36Å
587M25.1Very low37.7Very low144 Ų14495.4 Ų95.471%0.70954%0.537SS*.SBendtrans-105.679.8140.8-98.9-154.4165.600112.5
588L31.1Very low38.5Very low89 Ų8998.5 Ų98.547%0.46655%0.553SS.*  trans56.995.7150.9-58.9171.4000118.3Y590 D619L588-Y590 HydrophobicContact CD2-CD2 4.09Å; L588-Y590 PolarHBondContact O-N 3.49Å; L588-D619 HydrophobicContact CD1-CB 4.04Å; L588-D619 VanDerWaalsContact CD1-OD2 3.22Å; L588-D619 WeakPolarHBondContact CD1-OD2 3.4Å
589T36.8Very low38.8Very low142 Ų142103.3 Ų103.387%0.87158%0.576SS**  trans-70.224.8158.3400000114
590Y39Very low39.4Very low182 Ų182108 Ų10871%0.71459%0.594SS**  trans-104.680.1177.7-72.6-70.9000112L588 C592L588-Y590 HydrophobicContact CD2-CD2 4.09Å; L588-Y590 PolarHBondContact O-N 3.49Å; Y590-C592 PolarHBondContact O-N 3.33Å
591R45.7Very low40.2Very low198 Ų198110.5 Ų110.575%0.74761%0.608SS**  trans-75.8110.7167.1-64-176.4-172.3-174.35.1108.7C595 I596R591-C595 HydrophobicContact CB-CB 4.31Å; R591-I596 HydrophobicContact CB-CD1 3.91Å; R591-I596 HydrophobicContact CB-CG1 4.02Å; R591-I596 WeakPolarHBondContact O-CD1 3.14Å
592C50.1Low41.3Very low18 Ų18112 Ų11212%0.12261%0.613CS.*  trans-66.7159.6171.169.70000110.8Y590 G594 C595 C614 Y616 H621Y590-C592 PolarHBondContact O-N 3.33Å; C592-G594 PolarHBondContact O-N 2.87Å; C592-G594 VanDerWaalsContact O-N 3.1Å; C592-C595 WeakPolarHBondContact O-CB 3.39Å; C592-C595 PolarHBondContact O-N 3.48Å; C592-C595 VanDerWaalsContact SG-SG 3.68Å; C592-C614 VanDerWaalsContact SG-SG 3.67Å; C592-Y616 PolarHBondContact SG-O 3.21Å; C592-H621 PolarHBondContact SG-CE1 2.64Å
593S50.3Low42.7Very low89 Ų89111.8 Ų111.862%0.62261%0.607SS**G310 helixtrans-56.4-29.4-176.648.40000113.9C595 I596S593-C595 VanDerWaalsContact C-N 3.31Å; S593-C595 PolarHBondContact O-N 3.31Å; S593-I596 PolarHBondContact O-N 2.79Å; S593-I596 VanDerWaalsContact O-N 3.09Å
594G52.1Low43.7Very low29 Ų29113.9 Ų113.930%0.29962%0.622SS.*G310 helixtrans-63.1-30.3171.900000114.3C592 I596C592-G594 PolarHBondContact O-N 2.87Å; C592-G594 VanDerWaalsContact O-N 3.1Å; G594-I596 VanDerWaalsContact C-N 3.28Å; G594-I596 PolarHBondContact O-N 3.09Å
595C54.9Low44.9Very low57 Ų57120.3 Ų120.339%0.38564%0.635SS.*G310 helixtrans-77.2-10.5173.7-58.30000113.6R591 C592 S593 H621R591-C595 HydrophobicContact CB-CB 4.31Å; C592-C595 WeakPolarHBondContact O-CB 3.39Å; C592-C595 PolarHBondContact O-N 3.48Å; C592-C595 VanDerWaalsContact SG-SG 3.68Å; S593-C595 VanDerWaalsContact C-N 3.31Å; S593-C595 PolarHBondContact O-N 3.31Å; C595-H621 VanDerWaalsContact SG-CE1 3.54Å; C595-H621 PolarHBondContact SG-NE2 3Å
596I49.6Very low46.3Very low97 Ų97117 Ų11750%0.49761%0.609SS.*G310 helixtrans-109.54.8-172.3-54.4169.6000111R591 S593 G594 V598R591-I596 HydrophobicContact CB-CD1 3.91Å; R591-I596 HydrophobicContact CB-CG1 4.02Å; R591-I596 WeakPolarHBondContact O-CD1 3.14Å; S593-I596 PolarHBondContact O-N 2.79Å; S593-I596 VanDerWaalsContact O-N 3.09Å; G594-I596 VanDerWaalsContact C-N 3.28Å; G594-I596 PolarHBondContact O-N 3.09Å; I596-V598 PolarHBondContact O-N 2.96Å
597A47.8Very low47.5Very low57 Ų57111.4 Ų111.447%0.47158%0.584SS.*  trans-72.178.1-177.900000113.8E599A597-E599 VanDerWaalsContact C-N 3.35Å; A597-E599 PolarHBondContact O-N 3.06Å
598V47.4Very low49.5Very low139 Ų139106.3 Ų106.384%0.84256%0.563SS**THydrogen-bonded Turntrans-66.8-25.6-176170.70000114.3I596 K600I596-V598 PolarHBondContact O-N 2.96Å; V598-K600 PolarHBondContact O-N 3.23Å
599E43.6Very low51Low187 Ų187109.6 Ų109.687%0.87457%0.573SS**THydrogen-bonded Turntrans-86.4-0.2-165.4-71.7-166.7128.200117.4A597A597-E599 VanDerWaalsContact C-N 3.35Å; A597-E599 PolarHBondContact O-N 3.06Å
600K47.3Very low52.3Low156 Ų156106 Ų10668%0.67855%0.548SS*.SBendtrans-126.1119.5-176-73.7174.7-176.6164.70112.7V598 L602V598-K600 PolarHBondContact O-N 3.23Å; K600-L602 PolarHBondContact O-N 3.22Å; K600-L602 VanDerWaalsContact O-N 3.08Å
601S45Very low53.6Low106 Ų10697.7 Ų97.774%0.74152%0.516SS*.  trans-59.5111-179.954.20000111.9N606S601-N606 PolarHBondContact O-ND2 2.86Å
602L51.9Low54.5Low105 Ų10592.1 Ų92.155%0.5550%0.499SS..  trans-72.8138180-63175000110.6K600 N606 F607K600-L602 PolarHBondContact O-N 3.22Å; K600-L602 VanDerWaalsContact O-N 3.08Å; L602-N606 WeakPolarHBondContact CA-OD1 3.38Å; L602-F607 HydrophobicContact CD1-CD2 4.17Å; L602-F607 HydrophobicContact CD1-CE2 4.41Å; L602-F607 HydrophobicContact CD2-CD2 4.41Å
603N54.6Low54.9Low79 Ų7995.3 Ų95.342%0.42252%0.521SS..  trans-147.3165.8175.965.966.5000110.2R605 N606 F607N603-R605 PolarHBondContact O-N 3.26Å; N603-R605 WeakPolarHBondContact OD1-CB 3.41Å; N603-R605 PolarHBondContact OD1-N 2.94Å; N603-N606 PolarHBondContact N-OD1 3.37Å; N603-N606 PolarHBondContact ND2-ND2 2.82Å; N603-N606 PolarHBondContact O-N 3.48Å; N603-N606 VanDerWaalsContact O-N 3.12Å; N603-N606 PolarHBondContact O-OD1 3Å; N603-N606 PolarHBondContact OD1-N 3.41Å; N603-F607 WeakPolarHBondContact O-CB 3.33Å; N603-F607 PolarHBondContact O-N 3.19Å
604S52.3Low55.5Low120 Ų12091.6 Ų91.684%0.83950%0.495SS*.THydrogen-bonded Turntrans-64.11.4-174.756.50000116
605R52Low55.6Low217 Ų21795 Ų9582%0.81951%0.512SS*.THydrogen-bonded Turntrans-114.4-21174.7-63.2-178.2176.9-179.6-0.2114.3N603N603-R605 PolarHBondContact O-N 3.26Å; N603-R605 WeakPolarHBondContact OD1-CB 3.41Å; N603-R605 PolarHBondContact OD1-N 2.94Å
606N58.7Low55.5Low40 Ų40100 Ų10021%0.21452%0.524CS..THydrogen-bonded Turntrans-99.8-26.8175.169.96.1000113S601 L602 N603 K609 L610S601-N606 PolarHBondContact O-ND2 2.86Å; L602-N606 WeakPolarHBondContact CA-OD1 3.38Å; N603-N606 PolarHBondContact N-OD1 3.37Å; N603-N606 PolarHBondContact ND2-ND2 2.82Å; N603-N606 PolarHBondContact O-N 3.48Å; N603-N606 VanDerWaalsContact O-N 3.12Å; N603-N606 PolarHBondContact O-OD1 3Å; N603-N606 PolarHBondContact OD1-N 3.41Å; N606-K609 WeakPolarHBondContact O-CB 3.46Å; N606-K609 PolarHBondContact O-N 3.08Å; N606-L610 PolarHBondContact O-N 3.13Å
607F63.1Low55.8Low89 Ų89100.7 Ų100.739%0.3953%0.525SS..Hα-helixtrans-54.9-64.1-174.4-175.1-99.5000113.5L602 N603 K609 L610 L611L602-F607 HydrophobicContact CD1-CD2 4.17Å; L602-F607 HydrophobicContact CD1-CE2 4.41Å; L602-F607 HydrophobicContact CD2-CD2 4.41Å; N603-F607 WeakPolarHBondContact O-CB 3.33Å; N603-F607 PolarHBondContact O-N 3.19Å; F607-K609 PolarHBondContact O-N 2.97Å; F607-L610 WeakPolarHBondContact O-CB 3.48Å; F607-L610 PolarHBondContact O-N 2.66Å; F607-L610 VanDerWaalsContact O-N 3.09Å; F607-L611 WeakPolarHBondContact O-CB 3.38Å; F607-L611 PolarHBondContact O-N 2.88Å
608S65.3Low56.6Low36 Ų3699.3 Ų99.325%0.25251%0.511SS..Hα-helixtrans-61.8-28.5179.5-49.50000112.6L611 H612 E628S608-L611 PolarHBondContact O-N 2.95Å; S608-H612 WeakPolarHBondContact O-CB 3.44Å; S608-H612 PolarHBondContact O-CD2 2.78Å; S608-H612 PolarHBondContact O-N 3.2Å; S608-E628 VanDerWaalsContact CB-OE2 3.25Å; S608-E628 WeakPolarHBondContact CB-OE2 3.35Å; S608-E628 PolarHBondContact OG-OE1 2.86Å; S608-E628 PolarHBondContact OG-OE2 3.36Å
609K64.5Low57Low159 Ų15996.1 Ų96.169%0.69149%0.49SS*.Hα-helixtrans-67.9-44.2174.6-73.8-167.1172-164.90112N606 F607 L611 S613N606-K609 WeakPolarHBondContact O-CB 3.46Å; N606-K609 PolarHBondContact O-N 3.08Å; F607-K609 PolarHBondContact O-N 2.97Å; K609-L611 VanDerWaalsContact C-N 3.32Å; K609-S613 VanDerWaalsContact O-CB 3.23Å; K609-S613 WeakPolarHBondContact O-CB 3.4Å; K609-S613 PolarHBondContact O-N 3.4Å; K609-S613 VanDerWaalsContact O-N 3.09Å; K609-S613 PolarHBondContact O-OG 3.47Å
610L63.6Low57.6Low65 Ų6596.5 Ų96.534%0.3448%0.483SS..Hα-helixtrans-59.8-47.2173.7-118.299.7000110.3N606 F607 S613 C614N606-L610 PolarHBondContact O-N 3.13Å; F607-L610 WeakPolarHBondContact O-CB 3.48Å; F607-L610 PolarHBondContact O-N 2.66Å; F607-L610 VanDerWaalsContact O-N 3.09Å; L610-S613 WeakPolarHBondContact CA-OG 3.44Å; L610-S613 PolarHBondContact O-N 3.28Å; L610-S613 VanDerWaalsContact O-N 3.11Å; L610-S613 PolarHBondContact O-OG 3.39Å; L610-C614 PolarHBondContact O-N 3.07Å
611L65.1Low58.6Low9 Ų990 Ų905%0.04746%0.455CS..Hα-helixtrans-56.1-53.8-179.6-16974.9000112.3F607 S608 K609 S613 C614 H621 I624 V625F607-L611 WeakPolarHBondContact O-CB 3.38Å; F607-L611 PolarHBondContact O-N 2.88Å; S608-L611 PolarHBondContact O-N 2.95Å; K609-L611 VanDerWaalsContact C-N 3.32Å; L611-S613 PolarHBondContact O-N 3.47Å; L611-C614 PolarHBondContact O-N 2.81Å; L611-H621 HydrophobicContact CD1-CB 4.22Å; L611-H621 WeakPolarHBondContact CD1-CD2 3.49Å; L611-I624 HydrophobicContact CD2-CB 4.3Å; L611-I624 HydrophobicContact CD2-CG2 3.66Å; L611-V625 HydrophobicContact CD2-CG2 3.66Å; L611-V625 HydrophobicContact CG-CG2 3.76Å
612H64.7Low59.5Low81 Ų8189.5 Ų89.538%0.37544%0.44SS..Hα-helixtrans-69.6-17.1177.3-69.4-64.2000113.5S608 V625 E628 D629 K632S608-H612 WeakPolarHBondContact O-CB 3.44Å; S608-H612 PolarHBondContact O-CD2 2.78Å; S608-H612 PolarHBondContact O-N 3.2Å; H612-V625 WeakPolarHBondContact CE1-CG1 3.26Å; H612-E628 IonicContact NE2-OE1 3.67Å; H612-E628 PolarHBondContact NE2-OE1 3.29Å; H612-E628 IonicContact NE2-OE2 2.65Å; H612-D629 IonicContact CE1-OD1 2.86Å; H612-D629 IonicContact CE1-OD2 3.82Å; H612-D629 PolarHBondContact CE1-OD2 3.19Å; H612-K632 PolarHBondContact NE2-NZ 3.47Å
613S60.3Low60.2Low84 Ų8489.1 Ų89.159%0.58744%0.441SS*.THydrogen-bonded Turntrans-93.2-1178.870.30000114.7K609 L610 L611 P615K609-S613 VanDerWaalsContact O-CB 3.23Å; K609-S613 WeakPolarHBondContact O-CB 3.4Å; K609-S613 PolarHBondContact O-N 3.4Å; K609-S613 VanDerWaalsContact O-N 3.09Å; K609-S613 PolarHBondContact O-OG 3.47Å; L610-S613 WeakPolarHBondContact CA-OG 3.44Å; L610-S613 PolarHBondContact O-N 3.28Å; L610-S613 VanDerWaalsContact O-N 3.11Å; L610-S613 PolarHBondContact O-OG 3.39Å; L611-S613 PolarHBondContact O-N 3.47Å; S613-P615 WeakPolarHBondContact O-CD 3.46Å
614C61.3Low60.8Low12 Ų1288.3 Ų88.38%0.08144%0.436CS..  trans-76.7118.4-177.8-169.50000110.5C592 L610 L611 Y616C592-C614 VanDerWaalsContact SG-SG 3.67Å; L610-C614 PolarHBondContact O-N 3.07Å; L611-C614 PolarHBondContact O-N 2.81Å; C614-Y616 PolarHBondContact O-N 3.35Å; C614-Y616 PolarHBondContact SG-O 3.05Å
615P54.2Low61.7Low101 Ų10183.5 Ų83.566%0.65640%0.402SS*.SBendtrans-68.3-24-176.926.3-33.7000113.2S613S613-P615 WeakPolarHBondContact O-CD 3.46Å
616Y53.8Low62.6Low160 Ų16076.6 Ų76.663%0.62738%0.379SS*.SBendtrans-109104.9174-60.6-81000109.9C592 C614 C618C592-Y616 PolarHBondContact SG-O 3.21Å; C614-Y616 PolarHBondContact O-N 3.35Å; C614-Y616 PolarHBondContact SG-O 3.05Å; Y616-C618 PolarHBondContact O-N 3.29Å
617Q55.4Low62.9Low113 Ų11377.3 Ų77.353%0.52839%0.39SS..  trans-88.684.7177.9-63-175.22100110.1
618C63.6Low63.4Low27 Ų2775 Ų7518%0.18238%0.381CS..  trans-57.2155.5167.366.30000110.4Y616 R620 H621 K622Y616-C618 PolarHBondContact O-N 3.29Å; C618-R620 PolarHBondContact O-N 3.47Å; C618-H621 WeakPolarHBondContact O-CA 3.33Å; C618-H621 WeakPolarHBondContact O-CB 3.47Å; C618-H621 PolarHBondContact O-N 3.35Å; C618-K622 PolarHBondContact O-N 3.38Å
619D57Low63.7Low73 Ų7376.1 Ų76.139%0.3938%0.384SS..Hα-helixtrans-57.3-28.9-173.7-76.4-36000113.8L588 K622 V623L588-D619 HydrophobicContact CD1-CB 4.04Å; L588-D619 VanDerWaalsContact CD1-OD2 3.22Å; L588-D619 WeakPolarHBondContact CD1-OD2 3.4Å; D619-K622 PolarHBondContact O-N 3.34Å; D619-V623 WeakPolarHBondContact O-CB 3.32Å; D619-V623 VanDerWaalsContact O-CG2 3.31Å; D619-V623 WeakPolarHBondContact O-CG2 3.36Å; D619-V623 PolarHBondContact O-N 2.96Å
620R56.1Low64Low195 Ų19576.3 Ų76.374%0.73638%0.38SS*.Hα-helixtrans-67.6-36.9172.9-165175.9-174.7-172.62.8112.9C618 I624C618-R620 PolarHBondContact O-N 3.47Å; R620-I624 HydrophobicContact CG-CD1 4.12Å; R620-I624 WeakPolarHBondContact O-CB 3.43Å; R620-I624 WeakPolarHBondContact O-CD1 3.47Å; R620-I624 WeakPolarHBondContact O-CG1 3.25Å; R620-I624 PolarHBondContact O-N 3.41Å
621H67.3Low64.4Low19 Ų1980.8 Ų80.89%0.08839%0.394CS..Hα-helixtrans-65.6-46.1169.2-75.7174.3000110.8C592 C595 L611 C618 V623 I624 V625C592-H621 PolarHBondContact SG-CE1 2.64Å; C595-H621 VanDerWaalsContact SG-CE1 3.54Å; C595-H621 PolarHBondContact SG-NE2 3Å; L611-H621 HydrophobicContact CD1-CB 4.22Å; L611-H621 WeakPolarHBondContact CD1-CD2 3.49Å; C618-H621 WeakPolarHBondContact O-CA 3.33Å; C618-H621 WeakPolarHBondContact O-CB 3.47Å; C618-H621 PolarHBondContact O-N 3.35Å; H621-V623 PolarHBondContact O-N 3.46Å; H621-I624 PolarHBondContact O-N 2.82Å; H621-V625 WeakPolarHBondContact O-CB 3.34Å; H621-V625 WeakPolarHBondContact O-CG2 3.25Å; H621-V625 PolarHBondContact O-N 3.25Å
622K64.2Low64.7Low96 Ų9683.3 Ų83.342%0.41741%0.405SS..Hα-helixtrans-57.3-50.3179.1-173.3-179.9175.4-174.80112.1C618 D619 I624 V625 E626C618-K622 PolarHBondContact O-N 3.38Å; D619-K622 PolarHBondContact O-N 3.34Å; K622-I624 PolarHBondContact O-N 3.33Å; K622-V625 PolarHBondContact O-N 3.45Å; K622-E626 WeakPolarHBondContact O-CB 3.45Å; K622-E626 WeakPolarHBondContact O-CG 3.4Å; K622-E626 PolarHBondContact O-N 2.95Å
623V67.4Low64.8Low96 Ų9681.6 Ų81.658%0.58240%0.402SS*.Hα-helixtrans-61.9-39.5177.4169.90000112.2D619 H621 A627D619-V623 WeakPolarHBondContact O-CB 3.32Å; D619-V623 VanDerWaalsContact O-CG2 3.31Å; D619-V623 WeakPolarHBondContact O-CG2 3.36Å; D619-V623 PolarHBondContact O-N 2.96Å; H621-V623 PolarHBondContact O-N 3.46Å; V623-A627 VanDerWaalsContact O-CB 3.26Å; V623-A627 WeakPolarHBondContact O-CB 3.46Å; V623-A627 PolarHBondContact O-N 3.44Å
624I66.5Low65.3Low62 Ų6282 Ų8232%0.31839%0.394SS..Hα-helixtrans-71.5-41.2177.8-64.4168.1000111L611 R620 H621 K622 A627 E628L611-I624 HydrophobicContact CD2-CB 4.3Å; L611-I624 HydrophobicContact CD2-CG2 3.66Å; R620-I624 HydrophobicContact CG-CD1 4.12Å; R620-I624 WeakPolarHBondContact O-CB 3.43Å; R620-I624 WeakPolarHBondContact O-CD1 3.47Å; R620-I624 WeakPolarHBondContact O-CG1 3.25Å; R620-I624 PolarHBondContact O-N 3.41Å; H621-I624 PolarHBondContact O-N 2.82Å; K622-I624 PolarHBondContact O-N 3.33Å; I624-A627 PolarHBondContact O-N 3.21Å; I624-E628 WeakPolarHBondContact O-CB 3.39Å; I624-E628 PolarHBondContact O-N 3.49Å
625V71.4Confident65.6Low19 Ų1984.9 Ų84.912%0.11541%0.408CS..Hα-helixtrans-61.5-48.3174.1164.60000110.5L611 H612 H621 K622 A627 E628 D629L611-V625 HydrophobicContact CD2-CG2 3.66Å; L611-V625 HydrophobicContact CG-CG2 3.76Å; H612-V625 WeakPolarHBondContact CE1-CG1 3.26Å; H621-V625 WeakPolarHBondContact O-CB 3.34Å; H621-V625 WeakPolarHBondContact O-CG2 3.25Å; H621-V625 PolarHBondContact O-N 3.25Å; K622-V625 PolarHBondContact O-N 3.45Å; V625-A627 PolarHBondContact O-N 2.9Å; V625-E628 PolarHBondContact O-N 3.21Å; V625-D629 WeakPolarHBondContact O-CB 3.38Å; V625-D629 PolarHBondContact O-N 3.42Å
626E71.4Confident66.2Low72 Ų7286.7 Ų86.734%0.33640%0.402SS..Hα-helixtrans-61.3-40.9175.8-77.8-170.6-140.900112.1K622 D629 R630K622-E626 WeakPolarHBondContact O-CB 3.45Å; K622-E626 WeakPolarHBondContact O-CG 3.4Å; K622-E626 PolarHBondContact O-N 2.95Å; E626-D629 PolarHBondContact O-N 2.78Å; E626-R630 WeakPolarHBondContact O-CB 3.35Å; E626-R630 WeakPolarHBondContact O-CD 3.4Å; E626-R630 WeakPolarHBondContact O-CG 3.44Å; E626-R630 PolarHBondContact O-N 3.16Å; E626-R630 IonicContact OE2-CZ 3.2Å; E626-R630 IonicContact OE2-NE 2.62Å; E626-R630 IonicContact OE2-NH2 2.66Å; E626-R630 PolarHBondContact OE2-NH2 2.98Å
627A65.8Low66.7Low55 Ų5583.9 Ų83.946%0.45539%0.393SS..Hα-helixtrans-65-42.4175.100000111.9V623 I624 V625 Y631V623-A627 VanDerWaalsContact O-CB 3.26Å; V623-A627 WeakPolarHBondContact O-CB 3.46Å; V623-A627 PolarHBondContact O-N 3.44Å; I624-A627 PolarHBondContact O-N 3.21Å; V625-A627 PolarHBondContact O-N 2.9Å; A627-Y631 VanDerWaalsContact O-CB 3.29Å; A627-Y631 WeakPolarHBondContact O-CB 3.39Å; A627-Y631 PolarHBondContact O-N 3.09Å
628E71.9Confident66.9Low41 Ų4183.7 Ų83.719%0.19240%0.395CS..Hα-helixtrans-65.5-40.4176.9-160.5-17111000111.4S608 H612 I624 V625 Y631 K632S608-E628 VanDerWaalsContact CB-OE2 3.25Å; S608-E628 WeakPolarHBondContact CB-OE2 3.35Å; S608-E628 PolarHBondContact OG-OE1 2.86Å; S608-E628 PolarHBondContact OG-OE2 3.36Å; H612-E628 IonicContact NE2-OE1 3.67Å; H612-E628 PolarHBondContact NE2-OE1 3.29Å; H612-E628 IonicContact NE2-OE2 2.65Å; I624-E628 WeakPolarHBondContact O-CB 3.39Å; I624-E628 PolarHBondContact O-N 3.49Å; V625-E628 PolarHBondContact O-N 3.21Å; E628-Y631 PolarHBondContact O-N 3.24Å; E628-K632 HydrophobicContact CG-CD 4.47Å; E628-K632 WeakPolarHBondContact O-CB 3.49Å; E628-K632 WeakPolarHBondContact O-CD 3.37Å; E628-K632 VanDerWaalsContact O-CG 3.25Å; E628-K632 WeakPolarHBondContact O-CG 3.46Å; E628-K632 PolarHBondContact O-N 3.45Å; E628-K632 WeakPolarHBondContact OE1-CE 3.49Å; E628-K632 IonicContact OE1-NZ 2.79Å; E628-K632 PolarHBondContact OE1-NZ 2.68Å
629D72.1Confident66.5Low60 Ų6087.7 Ų87.732%0.32141%0.414SS..Hα-helixtrans-79.6-30.5179.5-77-28.4000113.7H612 V625 E626 K632 S633H612-D629 IonicContact CE1-OD1 2.86Å; H612-D629 IonicContact CE1-OD2 3.82Å; H612-D629 PolarHBondContact CE1-OD2 3.19Å; V625-D629 WeakPolarHBondContact O-CB 3.38Å; V625-D629 PolarHBondContact O-N 3.42Å; E626-D629 PolarHBondContact O-N 2.78Å; D629-K632 WeakPolarHBondContact OD1-CD 3.44Å; D629-K632 IonicContact OD1-NZ 2.61Å; D629-K632 PolarHBondContact OD1-NZ 3.08Å; D629-S633 WeakPolarHBondContact O-CA 3.45Å; D629-S633 WeakPolarHBondContact O-CB 3.26Å; D629-S633 PolarHBondContact O-N 3.32Å
630R72.1Confident66.5Low162 Ų16288.9 Ų88.961%0.61142%0.42SS*.Hα-helixtrans-61.2-47.2163.7-72.2165.7-162.3-139.810.9109.9E626 S633 E634E626-R630 WeakPolarHBondContact O-CB 3.35Å; E626-R630 WeakPolarHBondContact O-CD 3.4Å; E626-R630 WeakPolarHBondContact O-CG 3.44Å; E626-R630 PolarHBondContact O-N 3.16Å; E626-R630 IonicContact OE2-CZ 3.2Å; E626-R630 IonicContact OE2-NE 2.62Å; E626-R630 IonicContact OE2-NH2 2.66Å; E626-R630 PolarHBondContact OE2-NH2 2.98Å; R630-S633 WeakPolarHBondContact O-CA 3.4Å; R630-S633 VanDerWaalsContact O-CB 3.29Å; R630-S633 WeakPolarHBondContact O-CB 3.32Å; R630-S633 PolarHBondContact O-N 2.95Å; R630-E634 PolarHBondContact O-N 3.15Å
631Y70.9Confident66Low160 Ų16085 Ų8563%0.62742%0.421SS*.Hα-helixtrans-61.9-45.9176.4-179.7-109.6000112.6A627 E628 S633 E634 L635A627-Y631 VanDerWaalsContact O-CB 3.29Å; A627-Y631 WeakPolarHBondContact O-CB 3.39Å; A627-Y631 PolarHBondContact O-N 3.09Å; E628-Y631 PolarHBondContact O-N 3.24Å; Y631-S633 VanDerWaalsContact C-N 3.26Å; Y631-S633 PolarHBondContact O-N 3.19Å; Y631-E634 PolarHBondContact O-N 3.1Å; Y631-L635 HydrophobicContact CD1-CD1 3.98Å; Y631-L635 HydrophobicContact CE1-CD1 3.43Å; Y631-L635 VanDerWaalsContact CE1-CD1 3.43Å; Y631-L635 HydrophobicContact CE2-CD1 4.32Å; Y631-L635 WeakPolarHBondContact O-CB 3.37Å; Y631-L635 PolarHBondContact O-N 3.37Å
632K70.5Confident64.9Low62 Ų6290 Ų9027%0.2745%0.448SS..Hα-helixtrans-64.9-27.2171.4-69.1157-178.4161.40112.8H612 E628 D629 R636H612-K632 PolarHBondContact NE2-NZ 3.47Å; E628-K632 HydrophobicContact CG-CD 4.47Å; E628-K632 WeakPolarHBondContact O-CB 3.49Å; E628-K632 WeakPolarHBondContact O-CD 3.37Å; E628-K632 VanDerWaalsContact O-CG 3.25Å; E628-K632 WeakPolarHBondContact O-CG 3.46Å; E628-K632 PolarHBondContact O-N 3.45Å; E628-K632 WeakPolarHBondContact OE1-CE 3.49Å; E628-K632 IonicContact OE1-NZ 2.79Å; E628-K632 PolarHBondContact OE1-NZ 2.68Å; D629-K632 WeakPolarHBondContact OD1-CD 3.44Å; D629-K632 IonicContact OD1-NZ 2.61Å; D629-K632 PolarHBondContact OD1-NZ 3.08Å; K632-R636 VanDerWaalsContact O-CB 3.26Å; K632-R636 WeakPolarHBondContact O-CB 3.38Å; K632-R636 WeakPolarHBondContact O-CG 3.4Å; K632-R636 PolarHBondContact O-N 3.16Å; K632-R636 PolarHBondContact O-NE 3.5Å
633S68.4Low63.8Low45 Ų4592 Ų9232%0.31546%0.457SS..Hα-helixtrans-70.4-49.4176-1740000109.7D629 R630 Y631 L635 R636 K637D629-S633 WeakPolarHBondContact O-CA 3.45Å; D629-S633 WeakPolarHBondContact O-CB 3.26Å; D629-S633 PolarHBondContact O-N 3.32Å; R630-S633 WeakPolarHBondContact O-CA 3.4Å; R630-S633 VanDerWaalsContact O-CB 3.29Å; R630-S633 WeakPolarHBondContact O-CB 3.32Å; R630-S633 PolarHBondContact O-N 2.95Å; Y631-S633 VanDerWaalsContact C-N 3.26Å; Y631-S633 PolarHBondContact O-N 3.19Å; S633-L635 PolarHBondContact O-N 2.83Å; S633-R636 CarbonylContact O-C 3.56Å; S633-R636 WeakPolarHBondContact O-CA 3.42Å; S633-R636 WeakPolarHBondContact O-CB 3.49Å; S633-R636 PolarHBondContact O-N 3.39Å; S633-R636 VanDerWaalsContact O-N 3.07Å; S633-K637 WeakPolarHBondContact O-CG 3.29Å; S633-K637 PolarHBondContact O-N 3.27Å
634E69.9Low62.5Low93 Ų9397.2 Ų97.244%0.43547%0.472SS..Hα-helixtrans-62.7-41174-61.8-45.2128.700112.1R630 Y631 R636 K637 L638R630-E634 PolarHBondContact O-N 3.15Å; Y631-E634 PolarHBondContact O-N 3.1Å; E634-R636 VanDerWaalsContact C-N 3.31Å; E634-R636 PolarHBondContact O-N 2.84Å; E634-K637 PolarHBondContact O-N 2.8Å; E634-K637 WeakPolarHBondContact OE1-CE 3.41Å; E634-K637 IonicContact OE1-NZ 2.68Å; E634-K637 PolarHBondContact OE1-NZ 3.15Å; E634-K637 VanDerWaalsContact OE2-CD 3.25Å; E634-K637 WeakPolarHBondContact OE2-CD 3.37Å; E634-K637 IonicContact OE2-NZ 2.64Å; E634-L638 WeakPolarHBondContact O-CB 3.36Å; E634-L638 VanDerWaalsContact O-CG 3.26Å; E634-L638 WeakPolarHBondContact O-CG 3.34Å; E634-L638 PolarHBondContact O-N 2.92Å
635L66.8Low61.3Low72 Ų72101.3 Ų101.338%0.37749%0.493SS..Hα-helixtrans-59-40.4170.5-101.7159.1000112.6Y631 S633 L639Y631-L635 HydrophobicContact CD1-CD1 3.98Å; Y631-L635 HydrophobicContact CE1-CD1 3.43Å; Y631-L635 VanDerWaalsContact CE1-CD1 3.43Å; Y631-L635 HydrophobicContact CE2-CD1 4.32Å; Y631-L635 WeakPolarHBondContact O-CB 3.37Å; Y631-L635 PolarHBondContact O-N 3.37Å; S633-L635 PolarHBondContact O-N 2.83Å; L635-L639 WeakPolarHBondContact O-CB 3.33Å; L635-L639 WeakPolarHBondContact O-CD1 3.22Å; L635-L639 VanDerWaalsContact O-CG 3.26Å; L635-L639 WeakPolarHBondContact O-CG 3.45Å; L635-L639 PolarHBondContact O-N 3.39Å
636R67.2Low59.6Low138 Ų138107.4 Ų107.452%0.52152%0.524SS..Hα-helixtrans-68.6-37.8174.8-80175.6-77.1-169-0.3112K632 S633 E634 L639 I640K632-R636 VanDerWaalsContact O-CB 3.26Å; K632-R636 WeakPolarHBondContact O-CB 3.38Å; K632-R636 WeakPolarHBondContact O-CG 3.4Å; K632-R636 PolarHBondContact O-N 3.16Å; K632-R636 PolarHBondContact O-NE 3.5Å; S633-R636 CarbonylContact O-C 3.56Å; S633-R636 WeakPolarHBondContact O-CA 3.42Å; S633-R636 WeakPolarHBondContact O-CB 3.49Å; S633-R636 PolarHBondContact O-N 3.39Å; S633-R636 VanDerWaalsContact O-N 3.07Å; E634-R636 VanDerWaalsContact C-N 3.31Å; E634-R636 PolarHBondContact O-N 2.84Å; R636-L639 PolarHBondContact O-N 3.22Å; R636-I640 WeakPolarHBondContact O-CB 3.45Å; R636-I640 WeakPolarHBondContact O-CD1 3.48Å; R636-I640 WeakPolarHBondContact O-CG1 3.08Å; R636-I640 PolarHBondContact O-N 3.08Å
637K65.8Low57.9Low102 Ų102111.8 Ų111.844%0.44355%0.549SS..Hα-helixtrans-64.6-46.7173.4-71.1168.4-179.1178.40111.4S633 E634 L639 I640 C641S633-K637 WeakPolarHBondContact O-CG 3.29Å; S633-K637 PolarHBondContact O-N 3.27Å; E634-K637 PolarHBondContact O-N 2.8Å; E634-K637 WeakPolarHBondContact OE1-CE 3.41Å; E634-K637 IonicContact OE1-NZ 2.68Å; E634-K637 PolarHBondContact OE1-NZ 3.15Å; E634-K637 VanDerWaalsContact OE2-CD 3.25Å; E634-K637 WeakPolarHBondContact OE2-CD 3.37Å; E634-K637 IonicContact OE2-NZ 2.64Å; K637-L639 VanDerWaalsContact C-N 3.3Å; K637-L639 PolarHBondContact O-N 3.11Å; K637-I640 CarbonylContact O-C 3.57Å; K637-I640 WeakPolarHBondContact O-CA 3.25Å; K637-I640 WeakPolarHBondContact O-CB 3.38Å; K637-I640 PolarHBondContact O-N 2.81Å; K637-C641 PolarHBondContact O-N 2.96Å
638L59.3Low56.3Low109 Ų109115 Ų11557%0.57156%0.563SS**Hα-helixtrans-60.3-38.9174.4-69.9167.4000111.8E634 I640 N642E634-L638 WeakPolarHBondContact O-CB 3.36Å; E634-L638 VanDerWaalsContact O-CG 3.26Å; E634-L638 WeakPolarHBondContact O-CG 3.34Å; E634-L638 PolarHBondContact O-N 2.92Å; L638-I640 VanDerWaalsContact C-N 3.34Å; L638-N642 PolarHBondContact O-N 2.89Å; L638-N642 PolarHBondContact O-ND2 2.91Å
639L54.8Low54.3Low111 Ų111119.2 Ų119.258%0.58159%0.594SS**Hα-helixtrans-68.6-28171.3-76.5164.8000113.2L635 R636 K637L635-L639 WeakPolarHBondContact O-CB 3.33Å; L635-L639 WeakPolarHBondContact O-CD1 3.22Å; L635-L639 VanDerWaalsContact O-CG 3.26Å; L635-L639 WeakPolarHBondContact O-CG 3.45Å; L635-L639 PolarHBondContact O-N 3.39Å; R636-L639 PolarHBondContact O-N 3.22Å; K637-L639 VanDerWaalsContact C-N 3.3Å; K637-L639 PolarHBondContact O-N 3.11Å
640I56.2Low52.2Low98 Ų98127.6 Ų127.650%0.50362%0.621SS.*Hα-helixtrans-79.7-39.3176.4-73.4162.3000111.7R636 K637 L638 N642 K643R636-I640 WeakPolarHBondContact O-CB 3.45Å; R636-I640 WeakPolarHBondContact O-CD1 3.48Å; R636-I640 WeakPolarHBondContact O-CG1 3.08Å; R636-I640 PolarHBondContact O-N 3.08Å; K637-I640 CarbonylContact O-C 3.57Å; K637-I640 WeakPolarHBondContact O-CA 3.25Å; K637-I640 WeakPolarHBondContact O-CB 3.38Å; K637-I640 PolarHBondContact O-N 2.81Å; L638-I640 VanDerWaalsContact C-N 3.34Å; I640-N642 PolarHBondContact O-N 3.33Å; I640-K643 HydrophobicContact CG1-CD 4.28Å; I640-K643 VanDerWaalsContact O-CB 3.3Å; I640-K643 WeakPolarHBondContact O-CB 3.33Å; I640-K643 PolarHBondContact O-N 3.42Å
641C45.8Very low50.6Low112 Ų112131.5 Ų131.576%0.75764%0.636SS**Hα-helixtrans-60.4-26.7169.8-68.90000112.1K637 K643K637-C641 PolarHBondContact O-N 2.96Å; C641-K643 VanDerWaalsContact C-N 3.34Å
642N44.4Very low48.5Very low124 Ų124135.5 Ų135.566%0.66365%0.65SS**THydrogen-bonded Turntrans-82.40.7171.6-80.5-81.8000114.5L638 I640 K644L638-N642 PolarHBondContact O-N 2.89Å; L638-N642 PolarHBondContact O-ND2 2.91Å; I640-N642 PolarHBondContact O-N 3.33Å; N642-K644 PolarHBondContact O-N 3.05Å
643K41.5Very low46.5Very low140 Ų140141.4 Ų141.461%0.60968%0.678SS**  trans-7845.4176-71.2-178.3180179.20114I640 C641I640-K643 HydrophobicContact CG1-CD 4.28Å; I640-K643 VanDerWaalsContact O-CB 3.3Å; I640-K643 WeakPolarHBondContact O-CB 3.33Å; I640-K643 PolarHBondContact O-N 3.42Å; C641-K643 VanDerWaalsContact C-N 3.34Å
644K40.9Very low45.1Very low204 Ų204150.9 Ų150.989%0.88771%0.707SS**SBendtrans-115.741.8152.7-104.6-168.6179.3-177.50112.5N642N642-K644 PolarHBondContact O-N 3.05Å
645I39.8Very low43.1Very low148 Ų148154.5 Ų154.576%0.75973%0.729SS**SBendtrans-156.6119.9140.1-92.8137.6000107.8
646L37.2Very low41.5Very low148 Ų148155.4 Ų155.478%0.77574%0.741SS**  trans-91.4106.3173.1-96.2168.1000109.7
647L33.8Very low39.7Very low164 Ų164156.2 Ų156.286%0.85976%0.755SS**  trans-145.2114.1153.2-78.4-175000110
648T33.5Very low38.2Very low122 Ų122160.3 Ų160.375%0.74878%0.776SS**  trans-76.6148.7173.136.50000111.5R650T648-R650 PolarHBondContact O-N 2.95Å
649P29.2Very low36.9Very low129 Ų129160.6 Ų160.684%0.83879%0.787SS**  trans-76.584.1-177.431.4-35.6000111.7R651P649-R651 PolarHBondContact O-N 3.12Å
650R29Very low35.6Very low236 Ų236161.9 Ų161.989%0.89180%0.8SS**  trans-64.7121.7170.1-165.6176.2-171.8-1762.9109.2T648 R652T648-R650 PolarHBondContact O-N 2.95Å; R650-R652 PolarHBondContact O-N 3.16Å
651R37.3Very low34.5Very low244 Ų244163.4 Ų163.492%0.92181%0.814SS**  trans-48.2123.4170.5-79179.3170.5175.3-3.3109.2P649P649-R651 PolarHBondContact O-N 3.12Å
652R27.8Very low34.3Very low245 Ų245164.1 Ų164.193%0.92582%0.817SS**  trans-107.8118.6163.2-102.9-175170.7176.4-2.8109.6R650R650-R652 PolarHBondContact O-N 3.16Å
653Q27.5Very low33.7Very low185 Ų185161.6 Ų161.686%0.86482%0.821SS**  trans-61.8167.3161.7-71.5148.9-72.400109.9
654R38.6Very low33.2Very low245 Ų245166.9 Ų166.993%0.92584%0.837SS**  trans-54138.4158.3-69.9176.5167.9-167.1-2.9109.4
655L29.2Very low33.1Very low169 Ų169165 Ų16589%0.88584%0.835SS**  trans-163.6161.4133.3-106.5164.3000109
656S33.6Very low33.2Very low90 Ų90167.3 Ų167.363%0.62984%0.839SS**  trans-88.2155.4-173.852.70000112.6
657N29.3Very low33.4Very low155 Ų155170.1 Ų170.183%0.82985%0.845SS**  171.7160.7117.7-82.12.2000109.6
658E34.4Very low34Very low189 Ų189173.8 Ų173.888%0.88385%0.847SS**  trans-93.4147.6-175.3-59.9176.6114.100112.3
659S30.3Very low34.9Very low114 Ų114177.2 Ų177.280%0.79785%0.847SS**  trans-175.4131.7134.123.80000113.3
660T29.3Very low36Very low139 Ų139177.4 Ų177.485%0.85385%0.845SS**  trans59.8112.8142.2-42.10000121.4
661T32Very low37.1Very low129 Ų129177.4 Ų177.479%0.79185%0.845SS**  trans-69.8-179.416534.60000114.2
662P42.1Very low38.6Very low127 Ų127172.4 Ų172.483%0.82583%0.83SS**  cis-129.31808.538.8-20.5000115.6
663G31.4Very low40.9Very low72 Ų72167.8 Ų167.874%0.74282%0.824SS**SBendtrans174.1-19.4168.200000123.4
664R31Very low43.4Very low251 Ų251160.8 Ų160.895%0.94779%0.791SS**  trans-169.2119.2169.5-113.3165.1-169-159.11.9113.7K666R664-K666 PolarHBondContact O-N 3.1Å
665I39.1Very low45.6Very low164 Ų164151.2 Ų151.284%0.84176%0.76SS**  trans-82102.8179.8-58.2173.9000110.2K667I665-K667 PolarHBondContact O-N 3Å
666K42Very low47.9Very low196 Ų196150.8 Ų150.885%0.85275%0.753SS**  trans-70115.7158.9-72.5-175.7177.2-179.60108.1R664 R668R664-K666 PolarHBondContact O-N 3.1Å; K666-R668 PolarHBondContact O-N 3.02Å
667K41.8Very low50Low207 Ų207151.8 Ų151.890%0.975%0.748SS**  trans-56102.2175.4-73.7-175.7176.7-179.80110I665I665-K667 PolarHBondContact O-N 3Å
668R45.7Very low52.7Low241 Ų241144.5 Ų144.591%0.90971%0.709SS**PPolyproline II helixtrans-64.8136.1169.2-73.3178.5170.8167.3-2.7108.1K666 V670K666-R668 PolarHBondContact O-N 3.02Å; R668-V670 PolarHBondContact O-N 3.36Å
669R52.4Low55.1Low194 Ų194136.6 Ų136.673%0.73267%0.673SS**PPolyproline II helixtrans-57.9131.5169.7-80-174.1172.4-162.7-4.5108.9R671 G705R669-R671 PolarHBondContact O-N 2.99Å; R669-G705 PolarHBondContact NH1-O 2.92Å
670V51.8Low57.7Low134 Ų134135.3 Ų135.381%0.81266%0.657SS**PPolyproline II helixtrans-61.1125.3169.6-179.90000108.1R668 K672R668-V670 PolarHBondContact O-N 3.36Å; V670-K672 PolarHBondContact O-N 3.24Å; V670-K672 VanDerWaalsContact O-N 3.14Å
671R51.4Low60.5Low235 Ų235132 Ų13289%0.88763%0.63SS**  trans-75.2100174.3-78.2-179.9170.6150.2-4.6108.8R669R669-R671 PolarHBondContact O-N 2.99Å
672K68.9Low63.2Low139 Ų139125.9 Ų125.960%0.60459%0.592SS**PPolyproline II helixtrans-69.2127.1165.4-64.9-167.3179.4-1750109.1V670 R706V670-K672 PolarHBondContact O-N 3.24Å; V670-K672 VanDerWaalsContact O-N 3.14Å; K672-R706 PolarHBondContact O-NH1 3Å
673N77.1Confident65.3Low148 Ų148123.8 Ų123.879%0.79157%0.57SS**PPolyproline II helixtrans-61.1159.4168.2-73.5-27.7000110.3R706N673-R706 PolarHBondContact O-NH2 2.78Å
674F80Confident67.9Low39 Ų39124.2 Ų124.217%0.17156%0.556CS.*PPolyproline II helixtrans-78136.1171.7-76-109.1000109.1E678 V679 D710 L711 K714F674-E678 WeakPolarHBondContact CA-OE2 3.42Å; F674-E678 HydrophobicContact CB-CB 4.39Å; F674-E678 HydrophobicContact CD1-CB 3.97Å; F674-V679 HydrophobicContact CB-CG2 4.21Å; F674-D710 HydrophobicContact CZ-CB 4.16Å; F674-L711 HydrophobicContact CE1-CD1 4.25Å; F674-L711 HydrophobicContact CZ-CD1 4.46Å; F674-K714 HydrophobicContact CB-CD 4.3Å; F674-K714 HydrophobicContact CD1-CB 4.47Å; F674-K714 HydrophobicContact CD1-CG 3.92Å; F674-K714 HydrophobicContact CD2-CB 4.16Å; F674-K714 HydrophobicContact CD2-CD 3.8Å; F674-K714 HydrophobicContact CD2-CG 3.86Å; F674-K714 HydrophobicContact CE1-CB 4.04Å; F674-K714 HydrophobicContact CE1-CG 3.99Å; F674-K714 HydrophobicContact CE2-CB 3.69Å; F674-K714 HydrophobicContact CE2-CD 4.24Å; F674-K714 HydrophobicContact CE2-CG 3.92Å; F674-K714 HydrophobicContact CG-CD 3.97Å; F674-K714 HydrophobicContact CG-CG 3.87Å; F674-K714 HydrophobicContact CZ-CB 3.63Å; F674-K714 HydrophobicContact CZ-CG 3.99Å
675T84.1Confident70.5Confident44 Ų44112.3 Ų112.327%0.2751%0.511SS..PPolyproline II helixtrans-72.3168.3168.771.30000110.9E677 E678 V679T675-E677 VanDerWaalsContact C-N 3.32Å; T675-E677 WeakPolarHBondContact CB-OE2 3.49Å; T675-E677 PolarHBondContact OG1-N 3.39Å; T675-E677 PolarHBondContact OG1-OE2 2.95Å; T675-E678 PolarHBondContact N-OE2 3.37Å; T675-E678 VanDerWaalsContact N-OE2 3.08Å; T675-E678 PolarHBondContact O-N 3.45Å; T675-E678 PolarHBondContact OG1-N 2.78Å; T675-E678 VanDerWaalsContact OG1-N 3.16Å; T675-V679 WeakPolarHBondContact O-CG2 3.26Å; T675-V679 PolarHBondContact O-N 3.5Å; T675-V679 VanDerWaalsContact O-N 3.1Å
676E77.2Confident72.8Confident159 Ų159105.3 Ų105.374%0.74348%0.476SS*.Hα-helixtrans-66.2-35.8175.3-167.6160.8-165.600111.5V679 N680E676-V679 PolarHBondContact O-N 2.86Å; E676-N680 PolarHBondContact O-N 3.38Å
677E79.6Confident74.9Confident111 Ų111104.8 Ų104.852%0.51947%0.473SS..Hα-helixtrans-64.8-43.9172.6-43.6107.1150.500111.4T675 V679 N680 Y681T675-E677 VanDerWaalsContact C-N 3.32Å; T675-E677 WeakPolarHBondContact CB-OE2 3.49Å; T675-E677 PolarHBondContact OG1-N 3.39Å; T675-E677 PolarHBondContact OG1-OE2 2.95Å; E677-V679 PolarHBondContact O-N 3Å; E677-N680 CarbonylContact O-C 3.59Å; E677-N680 PolarHBondContact O-N 3.05Å; E677-N680 VanDerWaalsContact O-N 3.09Å; E677-Y681 HydrophobicContact CB-CD2 4.47Å; E677-Y681 HydrophobicContact CB-CE2 3.83Å; E677-Y681 WeakPolarHBondContact O-CB 3.41Å; E677-Y681 VanDerWaalsContact O-CD2 3.25Å; E677-Y681 WeakPolarHBondContact O-CD2 3.35Å; E677-Y681 PolarHBondContact O-N 2.85Å
678E85.4Confident76.8Confident3 Ų3103 Ų1031%0.01447%0.465CS..Hα-helixtrans-61-29.3174.8-73.1-175.3113.400112.8F674 T675 L682 F702 Q703 R706F674-E678 WeakPolarHBondContact CA-OE2 3.42Å; F674-E678 HydrophobicContact CB-CB 4.39Å; F674-E678 HydrophobicContact CD1-CB 3.97Å; T675-E678 PolarHBondContact N-OE2 3.37Å; T675-E678 VanDerWaalsContact N-OE2 3.08Å; T675-E678 PolarHBondContact O-N 3.45Å; T675-E678 PolarHBondContact OG1-N 2.78Å; T675-E678 VanDerWaalsContact OG1-N 3.16Å; E678-L682 VanDerWaalsContact O-CB 3.25Å; E678-L682 WeakPolarHBondContact O-CB 3.48Å; E678-L682 PolarHBondContact O-N 3.33Å; E678-F702 HydrophobicContact CB-CD1 4.02Å; E678-F702 HydrophobicContact CB-CE1 4.09Å; E678-F702 HydrophobicContact CG-CD1 3.87Å; E678-F702 HydrophobicContact CG-CE1 4.42Å; E678-F702 WeakPolarHBondContact O-CE1 3.3Å; E678-Q703 PolarHBondContact OE1-N 2.88Å; E678-R706 IonicContact OE1-CZ 2.8Å; E678-R706 IonicContact OE1-NE 3.72Å; E678-R706 PolarHBondContact OE1-NE 3.5Å; E678-R706 IonicContact OE1-NH2 3.51Å; E678-R706 PolarHBondContact OE1-NH2 3.34Å; E678-R706 IonicContact OE2-CZ 3.58Å; E678-R706 IonicContact OE2-NE 3.32Å; E678-R706 IonicContact OE2-NH2 3.53Å; E678-R706 PolarHBondContact OE2-NH2 3.02Å
679V85.1Confident78.5Confident23 Ų2394.6 Ų94.614%0.13944%0.437CS..Hα-helixtrans-72.7-42.2173.1171.50000111.1F674 T675 E676 E677 L682 F683 L718F674-V679 HydrophobicContact CB-CG2 4.21Å; T675-V679 WeakPolarHBondContact O-CG2 3.26Å; T675-V679 PolarHBondContact O-N 3.5Å; T675-V679 VanDerWaalsContact O-N 3.1Å; E676-V679 PolarHBondContact O-N 2.86Å; E677-V679 PolarHBondContact O-N 3Å; V679-L682 WeakPolarHBondContact O-CB 3.37Å; V679-L682 PolarHBondContact O-N 3.44Å; V679-F683 HydrophobicContact CG1-CD2 3.74Å; V679-F683 HydrophobicContact CG1-CE2 3.66Å; V679-F683 WeakPolarHBondContact O-CD2 3.17Å; V679-F683 PolarHBondContact O-N 2.9Å; V679-L718 HydrophobicContact CG1-CD1 3.92Å; V679-L718 HydrophobicContact CG2-CD1 4.43Å
680N85.3Confident79.9Confident86 Ų8686.9 Ų86.946%0.4642%0.418SS..Hα-helixtrans-66.5-38.3175.7-74.6-28.1000112.4E676 E677 L682 F683 N684E676-N680 PolarHBondContact O-N 3.38Å; E677-N680 CarbonylContact O-C 3.59Å; E677-N680 PolarHBondContact O-N 3.05Å; E677-N680 VanDerWaalsContact O-N 3.09Å; N680-L682 VanDerWaalsContact C-N 3.34Å; N680-F683 PolarHBondContact O-N 3.31Å; N680-N684 VanDerWaalsContact O-CB 3.3Å; N680-N684 WeakPolarHBondContact O-CB 3.35Å; N680-N684 PolarHBondContact O-N 2.86Å; N680-N684 PolarHBondContact O-ND2 3.1Å; N680-N684 VanDerWaalsContact O-ND2 3.16Å
681Y88.1Confident81.4Confident71 Ų7185.6 Ų85.628%0.27841%0.407SS..Hα-helixtrans-62.3-40.4170.4-61.9-29000111.9E677 G685 F700 P701E677-Y681 HydrophobicContact CB-CD2 4.47Å; E677-Y681 HydrophobicContact CB-CE2 3.83Å; E677-Y681 WeakPolarHBondContact O-CB 3.41Å; E677-Y681 VanDerWaalsContact O-CD2 3.25Å; E677-Y681 WeakPolarHBondContact O-CD2 3.35Å; E677-Y681 PolarHBondContact O-N 2.85Å; Y681-G685 WeakPolarHBondContact O-CA 3.37Å; Y681-G685 PolarHBondContact O-N 2.95Å; Y681-F700 HydrophobicContact CD1-CB 4.34Å; Y681-F700 AromaticContact CD1-CD1 3.61Å; Y681-F700 HydrophobicContact CD1-CD1 3.61Å; Y681-F700 HydrophobicContact CD1-CE1 4.36Å; Y681-F700 HydrophobicContact CD1-CG 4.33Å; Y681-F700 HydrophobicContact CD2-CB 4.26Å; Y681-F700 HydrophobicContact CE1-CD1 4.45Å; Y681-F700 HydrophobicContact CG-CB 3.85Å; Y681-F700 AromaticContact CG-CD1 3.92Å; Y681-F700 HydrophobicContact CG-CD1 3.92Å; Y681-F700 HydrophobicContact CG-CG 4.17Å; Y681-P701 HydrophobicContact CD2-CG 4.36Å; Y681-P701 HydrophobicContact CE2-CG 3.66Å
682L87.6Confident83Confident0 Ų080.3 Ų80.30%039%0.392CS..Hα-helixtrans-65.5-43.9177.5-175.358.1000112E678 V679 N680 V686 W693 I696 F702 L711 K714 Y715E678-L682 VanDerWaalsContact O-CB 3.25Å; E678-L682 WeakPolarHBondContact O-CB 3.48Å; E678-L682 PolarHBondContact O-N 3.33Å; V679-L682 WeakPolarHBondContact O-CB 3.37Å; V679-L682 PolarHBondContact O-N 3.44Å; N680-L682 VanDerWaalsContact C-N 3.34Å; L682-V686 WeakPolarHBondContact O-CG2 3.46Å; L682-V686 PolarHBondContact O-N 3.42Å; L682-W693 HydrophobicContact CD1-CE3 4.2Å; L682-W693 HydrophobicContact CD1-CZ3 3.8Å; L682-I696 HydrophobicContact CD1-CG2 4.45Å; L682-F702 HydrophobicContact CB-CE1 4.4Å; L682-F702 HydrophobicContact CB-CZ 4.25Å; L682-L711 HydrophobicContact CD1-CB 3.79Å; L682-L711 HydrophobicContact CD1-CD2 4.09Å; L682-L711 HydrophobicContact CD1-CG 3.88Å; L682-K714 HydrophobicContact CD2-CB 3.98Å; L682-K714 HydrophobicContact CD2-CG 3.72Å; L682-Y715 HydrophobicContact CG-CD2 4.24Å
683F86.4Confident83.9Confident83 Ų8375.7 Ų75.736%0.36437%0.371SS..Hα-helixtrans-68.3-45.3175.7-80.9-65000112.8V679 N680 G685 V686 K687 Y715 L718V679-F683 HydrophobicContact CG1-CD2 3.74Å; V679-F683 HydrophobicContact CG1-CE2 3.66Å; V679-F683 WeakPolarHBondContact O-CD2 3.17Å; V679-F683 PolarHBondContact O-N 2.9Å; N680-F683 PolarHBondContact O-N 3.31Å; F683-G685 VanDerWaalsContact C-N 3.32Å; F683-G685 PolarHBondContact O-N 3.21Å; F683-V686 PolarHBondContact O-N 2.99Å; F683-K687 WeakPolarHBondContact O-CB 3.28Å; F683-K687 PolarHBondContact O-N 2.87Å; F683-Y715 HydrophobicContact CD1-CD2 4.33Å; F683-Y715 AromaticContact CD1-CE2 3.69Å; F683-Y715 HydrophobicContact CD1-CE2 3.69Å; F683-Y715 HydrophobicContact CE1-CD2 4.23Å; F683-Y715 AromaticContact CE1-CE2 3.7Å; F683-Y715 HydrophobicContact CE1-CE2 3.7Å; F683-L718 HydrophobicContact CE2-CD1 3.81Å; F683-L718 HydrophobicContact CZ-CB 4.02Å; F683-L718 HydrophobicContact CZ-CD1 3.96Å
684N84.9Confident84.3Confident81 Ų8172.9 Ų72.943%0.43336%0.356SS..Hα-helixtrans-64.2-37.6176.4-79.2-43.1000112.1N680 K687 K688 F700N680-N684 VanDerWaalsContact O-CB 3.3Å; N680-N684 WeakPolarHBondContact O-CB 3.35Å; N680-N684 PolarHBondContact O-N 2.86Å; N680-N684 PolarHBondContact O-ND2 3.1Å; N680-N684 VanDerWaalsContact O-ND2 3.16Å; N684-K687 PolarHBondContact O-N 3.2Å; N684-K688 WeakPolarHBondContact O-CB 3.36Å; N684-K688 PolarHBondContact O-N 3.04Å; N684-F700 HydrophobicContact CB-CE1 4.34Å; N684-F700 HydrophobicContact CB-CZ 4.23Å
685G87Confident84.4Confident0 Ų073.2 Ų73.20%036%0.363CS..Hα-helixtrans-61.6-49.6173.200000112.3Y681 F683 K687 K688 M689Y681-G685 WeakPolarHBondContact O-CA 3.37Å; Y681-G685 PolarHBondContact O-N 2.95Å; F683-G685 VanDerWaalsContact C-N 3.32Å; F683-G685 PolarHBondContact O-N 3.21Å; G685-K687 VanDerWaalsContact C-N 3.32Å; G685-K687 PolarHBondContact O-N 3.38Å; G685-K688 PolarHBondContact O-N 3.12Å; G685-M689 WeakPolarHBondContact O-CA 3.45Å; G685-M689 WeakPolarHBondContact O-CB 3.44Å; G685-M689 PolarHBondContact O-N 2.9Å
686V88Confident84.4Confident18 Ų1871.1 Ų71.111%0.10935%0.35CS..Hα-helixtrans-66.3-35177.1177.20000111.9L682 F683 K688 G690 W693 I696 Y715L682-V686 WeakPolarHBondContact O-CG2 3.46Å; L682-V686 PolarHBondContact O-N 3.42Å; F683-V686 PolarHBondContact O-N 2.99Å; V686-K688 PolarHBondContact O-N 3.08Å; V686-G690 WeakPolarHBondContact CA-O 3.18Å; V686-G690 VanDerWaalsContact O-CA 3.29Å; V686-G690 WeakPolarHBondContact O-CA 3.09Å; V686-G690 PolarHBondContact O-N 2.73Å; V686-W693 HydrophobicContact CG2-CE3 4.49Å; V686-W693 HydrophobicContact CG2-CH2 3.69Å; V686-W693 HydrophobicContact CG2-CZ3 3.47Å; V686-W693 VanDerWaalsContact CG2-CZ3 3.47Å; V686-I696 HydrophobicContact CB-CD1 4.44Å; V686-I696 HydrophobicContact CG2-CD1 3.7Å; V686-Y715 HydrophobicContact CB-CE2 3.96Å; V686-Y715 HydrophobicContact CG1-CE1 4.15Å; V686-Y715 HydrophobicContact CG1-CE2 4.02Å; V686-Y715 WeakPolarHBondContact CG1-OH 3.42Å; V686-Y715 HydrophobicContact CG2-CD2 3.95Å; V686-Y715 HydrophobicContact CG2-CE2 3.87Å; V686-Y715 HydrophobicContact CG2-CG 4.33Å
687K85.5Confident84.9Confident185 Ų18565.2 Ų65.280%0.80432%0.323SS*.Hα-helixtrans-65.7-33.8175.6-171.9175.8179.8-179.60113.1F683 N684 G685F683-K687 WeakPolarHBondContact O-CB 3.28Å; F683-K687 PolarHBondContact O-N 2.87Å; N684-K687 PolarHBondContact O-N 3.2Å; G685-K687 VanDerWaalsContact C-N 3.32Å; G685-K687 PolarHBondContact O-N 3.38Å
688K82Confident85.2Confident168 Ų16869.3 Ų69.373%0.7333%0.334SS*.Hα-helixtrans-91.9-28.2178.4-72.2-171.1175.9-172.60114.6N684 G685 V686N684-K688 WeakPolarHBondContact O-CB 3.36Å; N684-K688 PolarHBondContact O-N 3.04Å; G685-K688 PolarHBondContact O-N 3.12Å; V686-K688 PolarHBondContact O-N 3.08Å
689M79.6Confident85Confident65 Ų6572 Ų7232%0.3235%0.353SS..Hα-helixtrans-135.213.6-165.9-56.2179.6176.500113.6G685 H692 I696 S699G685-M689 WeakPolarHBondContact O-CA 3.45Å; G685-M689 WeakPolarHBondContact O-CB 3.44Å; G685-M689 PolarHBondContact O-N 2.9Å; M689-H692 WeakPolarHBondContact O-CB 3.29Å; M689-H692 PolarHBondContact O-CD2 3.49Å; M689-H692 PolarHBondContact O-N 3.13Å; M689-I696 HydrophobicContact CB-CG1 4.17Å; M689-S699 WeakPolarHBondContact CE-OG 3.45Å
690G82.3Confident85Confident32 Ų3273 Ų7333%0.3336%0.356SS..THydrogen-bonded Turntrans57.3-143177.100000113.5V686 H692 I696V686-G690 WeakPolarHBondContact CA-O 3.18Å; V686-G690 VanDerWaalsContact O-CA 3.29Å; V686-G690 WeakPolarHBondContact O-CA 3.09Å; V686-G690 PolarHBondContact O-N 2.73Å; G690-H692 PolarHBondContact O-N 3.14Å; G690-I696 WeakPolarHBondContact O-CD1 3.39Å
691N84.4Confident85Confident108 Ų10873.4 Ų73.458%0.57836%0.363SS*.THydrogen-bonded Turntrans-84.723.4-178.8-67.1-63.2000113.6W693N691-W693 VanDerWaalsContact C-N 3.31Å; N691-W693 HydrophobicContact CB-CZ2 4.06Å; N691-W693 PolarHBondContact O-N 3.13Å; N691-W693 PolarHBondContact O-NE1 3.3Å; N691-W693 VanDerWaalsContact O-NE1 3.17Å; N691-W693 WeakPolarHBondContact OD1-CZ2 3.32Å
692H85.1Confident84.9Confident124 Ų12471.3 Ų71.357%0.57436%0.355SS*.  trans-83.170.8-178.6-63.1-55.6000112.2M689 G690 N694 S695 I696M689-H692 WeakPolarHBondContact O-CB 3.29Å; M689-H692 PolarHBondContact O-CD2 3.49Å; M689-H692 PolarHBondContact O-N 3.13Å; G690-H692 PolarHBondContact O-N 3.14Å; H692-N694 VanDerWaalsContact C-N 3.28Å; H692-N694 PolarHBondContact O-N 3.42Å; H692-N694 VanDerWaalsContact O-N 3.13Å; H692-S695 WeakPolarHBondContact O-CB 3.32Å; H692-S695 PolarHBondContact O-N 3.11Å; H692-I696 PolarHBondContact O-N 2.77Å
693W86.4Confident84.6Confident42 Ų4274.3 Ų74.316%0.15937%0.369CS..Hα-helixtrans-55.9-29.7-171.8-53.1111.6000116.1L682 V686 N691 I696 L697 A708 L711 A712 Y715L682-W693 HydrophobicContact CD1-CE3 4.2Å; L682-W693 HydrophobicContact CD1-CZ3 3.8Å; V686-W693 HydrophobicContact CG2-CE3 4.49Å; V686-W693 HydrophobicContact CG2-CH2 3.69Å; V686-W693 HydrophobicContact CG2-CZ3 3.47Å; V686-W693 VanDerWaalsContact CG2-CZ3 3.47Å; N691-W693 VanDerWaalsContact C-N 3.31Å; N691-W693 HydrophobicContact CB-CZ2 4.06Å; N691-W693 PolarHBondContact O-N 3.13Å; N691-W693 PolarHBondContact O-NE1 3.3Å; N691-W693 VanDerWaalsContact O-NE1 3.17Å; N691-W693 WeakPolarHBondContact OD1-CZ2 3.32Å; W693-I696 HydrophobicContact CE3-CD1 4.29Å; W693-I696 HydrophobicContact CZ3-CD1 4.44Å; W693-L697 VanDerWaalsContact O-CB 3.31Å; W693-L697 WeakPolarHBondContact O-CB 3.33Å; W693-L697 PolarHBondContact O-N 2.61Å; W693-L697 VanDerWaalsContact O-N 3.11Å; W693-A708 HydrophobicContact CB-CB 3.6Å; W693-L711 HydrophobicContact CE3-CB 4.05Å; W693-A712 HydrophobicContact CD2-CB 3.79Å; W693-A712 HydrophobicContact CE3-CB 4.44Å; W693-A712 HydrophobicContact CG-CB 3.98Å; W693-A712 HydrophobicContact CZ2-CB 4.24Å; W693-Y715 AromaticContact CH2-CD1 3.57Å; W693-Y715 HydrophobicContact CH2-CD1 3.57Å; W693-Y715 HydrophobicContact CH2-CD2 4.5Å; W693-Y715 HydrophobicContact CH2-CE1 4.35Å; W693-Y715 AromaticContact CH2-CG 3.65Å; W693-Y715 HydrophobicContact CH2-CG 3.65Å; W693-Y715 HydrophobicContact CZ2-CD1 4.38Å; W693-Y715 HydrophobicContact CZ3-CD1 4.46Å; W693-Y715 HydrophobicContact CZ3-CG 4.1Å
694N86.1Confident83.9Confident89 Ų8980 Ų8048%0.47640%0.397SS..Hα-helixtrans-70.7-50.1173.6-75.4-12.8000110.7H692 I696 L697 W698 A708H692-N694 VanDerWaalsContact C-N 3.28Å; H692-N694 PolarHBondContact O-N 3.42Å; H692-N694 VanDerWaalsContact O-N 3.13Å; N694-I696 VanDerWaalsContact C-N 3.28Å; N694-I696 PolarHBondContact O-N 2.86Å; N694-L697 WeakPolarHBondContact O-CB 3.31Å; N694-L697 PolarHBondContact O-N 3.33Å; N694-L697 VanDerWaalsContact O-N 3.08Å; N694-W698 HydrophobicContact CB-CE3 4.26Å; N694-W698 HydrophobicContact CB-CH2 3.81Å; N694-W698 HydrophobicContact CB-CZ2 4.08Å; N694-W698 HydrophobicContact CB-CZ3 3.89Å; N694-W698 VanDerWaalsContact O-CD2 3.25Å; N694-W698 PolarHBondContact O-N 3.26Å; N694-A708 WeakPolarHBondContact OD1-CB 3.12Å
695S81.9Confident83.5Confident45 Ų4578.2 Ų78.232%0.31540%0.397SS..Hα-helixtrans-57.8-41.5177.5-43.90000111.5H692 W698 S699H692-S695 WeakPolarHBondContact O-CB 3.32Å; H692-S695 PolarHBondContact O-N 3.11Å; S695-W698 PolarHBondContact O-N 3.2Å; S695-S699 VanDerWaalsContact O-CB 3.26Å; S695-S699 WeakPolarHBondContact O-CB 3.3Å; S695-S699 PolarHBondContact O-N 2.71Å; S695-S699 PolarHBondContact O-OG 2.89Å
696I85Confident83.3Confident0 Ų080 Ų800%040%0.404CS..Hα-helixtrans-63.8-44.4175-64.2168.3000111.2L682 V686 M689 G690 H692 W693 N694 W698 S699 F700 F702 L711L682-I696 HydrophobicContact CD1-CG2 4.45Å; V686-I696 HydrophobicContact CB-CD1 4.44Å; V686-I696 HydrophobicContact CG2-CD1 3.7Å; M689-I696 HydrophobicContact CB-CG1 4.17Å; G690-I696 WeakPolarHBondContact O-CD1 3.39Å; H692-I696 PolarHBondContact O-N 2.77Å; W693-I696 HydrophobicContact CE3-CD1 4.29Å; W693-I696 HydrophobicContact CZ3-CD1 4.44Å; N694-I696 VanDerWaalsContact C-N 3.28Å; N694-I696 PolarHBondContact O-N 2.86Å; I696-W698 PolarHBondContact O-N 3.14Å; I696-S699 PolarHBondContact O-N 2.89Å; I696-F700 HydrophobicContact CG2-CD2 4.37Å; I696-F700 PolarHBondContact O-N 3.23Å; I696-F702 HydrophobicContact CG2-CE2 3.95Å; I696-F702 HydrophobicContact CG2-CZ 4.14Å; I696-F702 WeakPolarHBondContact O-CE2 3.3Å; I696-L711 HydrophobicContact CB-CD2 4.48Å; I696-L711 HydrophobicContact CG2-CD2 3.96Å
697L86.9Confident83.1Confident35 Ų3585.2 Ų85.218%0.18343%0.426CS..Hα-helixtrans-62-30.2177.9-17864.5000113W693 N694 F702 R706 L711W693-L697 VanDerWaalsContact O-CB 3.31Å; W693-L697 WeakPolarHBondContact O-CB 3.33Å; W693-L697 PolarHBondContact O-N 2.61Å; W693-L697 VanDerWaalsContact O-N 3.11Å; N694-L697 WeakPolarHBondContact O-CB 3.31Å; N694-L697 PolarHBondContact O-N 3.33Å; N694-L697 VanDerWaalsContact O-N 3.08Å; L697-F702 HydrophobicContact CD1-CB 3.92Å; L697-F702 HydrophobicContact CD1-CD2 4.05Å; L697-F702 HydrophobicContact CD1-CG 4.11Å; L697-R706 HydrophobicContact CD1-CB 3.96Å; L697-L711 HydrophobicContact CB-CD2 4.05Å; L697-L711 HydrophobicContact CD1-CD1 4.02Å; L697-L711 HydrophobicContact CD1-CD2 4.31Å
698W85.3Confident83Confident197 Ų19777.1 Ų77.175%0.74639%0.393SS*.Hα-helixtrans-86.5-22.4176.8-59.7-38000113.9N694 S695 I696N694-W698 HydrophobicContact CB-CE3 4.26Å; N694-W698 HydrophobicContact CB-CH2 3.81Å; N694-W698 HydrophobicContact CB-CZ2 4.08Å; N694-W698 HydrophobicContact CB-CZ3 3.89Å; N694-W698 VanDerWaalsContact O-CD2 3.25Å; N694-W698 PolarHBondContact O-N 3.26Å; S695-W698 PolarHBondContact O-N 3.2Å; I696-W698 PolarHBondContact O-N 3.14Å
699S83Confident83Confident59 Ų5973.5 Ų73.541%0.41339%0.385SS..Hα-helixtrans-92.5-5.9-172.8-56.40000114.6M689 S695 I696M689-S699 WeakPolarHBondContact CE-OG 3.45Å; S695-S699 VanDerWaalsContact O-CB 3.26Å; S695-S699 WeakPolarHBondContact O-CB 3.3Å; S695-S699 PolarHBondContact O-N 2.71Å; S695-S699 PolarHBondContact O-OG 2.89Å; I696-S699 PolarHBondContact O-N 2.89Å
700F84.3Confident83.3Confident45 Ų4573.7 Ų73.720%0.19739%0.387CS..SBendtrans-143150.5-177.7-63.1-89.9000111.4Y681 N684 I696 F702Y681-F700 HydrophobicContact CD1-CB 4.34Å; Y681-F700 AromaticContact CD1-CD1 3.61Å; Y681-F700 HydrophobicContact CD1-CD1 3.61Å; Y681-F700 HydrophobicContact CD1-CE1 4.36Å; Y681-F700 HydrophobicContact CD1-CG 4.33Å; Y681-F700 HydrophobicContact CD2-CB 4.26Å; Y681-F700 HydrophobicContact CE1-CD1 4.45Å; Y681-F700 HydrophobicContact CG-CB 3.85Å; Y681-F700 AromaticContact CG-CD1 3.92Å; Y681-F700 HydrophobicContact CG-CD1 3.92Å; Y681-F700 HydrophobicContact CG-CG 4.17Å; N684-F700 HydrophobicContact CB-CE1 4.34Å; N684-F700 HydrophobicContact CB-CZ 4.23Å; I696-F700 HydrophobicContact CG2-CD2 4.37Å; I696-F700 PolarHBondContact O-N 3.23Å; F700-F702 VanDerWaalsContact C-N 3.32Å; F700-F702 HydrophobicContact CB-CD2 4.13Å; F700-F702 HydrophobicContact CB-CE2 3.8Å; F700-F702 WeakPolarHBondContact O-CD2 3.46Å; F700-F702 PolarHBondContact O-N 3Å
701P85.4Confident83.5Confident95 Ų9572.1 Ų72.162%0.61737%0.371SS*.  trans-78.176.5-175.231.7-34.4000112.3Y681Y681-P701 HydrophobicContact CD2-CG 4.36Å; Y681-P701 HydrophobicContact CE2-CG 3.66Å
702F86.1Confident83.6Confident26 Ų2667.7 Ų67.711%0.11435%0.349CS..PPolyproline II helixtrans-75.2154.6170.8-73.8-80.4000112.3E678 L682 I696 L697 F700 Q704 R706 L711E678-F702 HydrophobicContact CB-CD1 4.02Å; E678-F702 HydrophobicContact CB-CE1 4.09Å; E678-F702 HydrophobicContact CG-CD1 3.87Å; E678-F702 HydrophobicContact CG-CE1 4.42Å; E678-F702 WeakPolarHBondContact O-CE1 3.3Å; L682-F702 HydrophobicContact CB-CE1 4.4Å; L682-F702 HydrophobicContact CB-CZ 4.25Å; I696-F702 HydrophobicContact CG2-CE2 3.95Å; I696-F702 HydrophobicContact CG2-CZ 4.14Å; I696-F702 WeakPolarHBondContact O-CE2 3.3Å; L697-F702 HydrophobicContact CD1-CB 3.92Å; L697-F702 HydrophobicContact CD1-CD2 4.05Å; L697-F702 HydrophobicContact CD1-CG 4.11Å; F700-F702 VanDerWaalsContact C-N 3.32Å; F700-F702 HydrophobicContact CB-CD2 4.13Å; F700-F702 HydrophobicContact CB-CE2 3.8Å; F700-F702 WeakPolarHBondContact O-CD2 3.46Å; F700-F702 PolarHBondContact O-N 3Å; F702-Q704 PolarHBondContact O-N 3.36Å; F702-R706 HydrophobicContact CB-CB 4.48Å; F702-R706 HydrophobicContact CB-CG 4.32Å; F702-L711 HydrophobicContact CD1-CD1 4.3Å; F702-L711 HydrophobicContact CD2-CD2 4.29Å; F702-L711 HydrophobicContact CE1-CD1 4.36Å; F702-L711 HydrophobicContact CE1-CD2 4.15Å; F702-L711 HydrophobicContact CE1-CG 4.13Å; F702-L711 HydrophobicContact CE2-CD2 3.8Å; F702-L711 HydrophobicContact CZ-CD2 3.73Å; F702-L711 HydrophobicContact CZ-CG 4.18Å
703Q80.5Confident83.5Confident63 Ų6367.2 Ų67.229%0.29435%0.347SS..PPolyproline II helixtrans-62135.2180-70.3-170.1600112.4E678 G705 R706E678-Q703 PolarHBondContact OE1-N 2.88Å; Q703-G705 PolarHBondContact O-N 3.25Å; Q703-R706 HydrophobicContact CB-CG 4.39Å; Q703-R706 WeakPolarHBondContact O-CB 3.32Å; Q703-R706 WeakPolarHBondContact O-CG 3.45Å; Q703-R706 PolarHBondContact O-N 2.75Å; Q703-R706 VanDerWaalsContact O-N 3.15Å
704Q71.6Confident83.5Confident204 Ų20468 Ų6895%0.95335%0.351SS*.THydrogen-bonded Turntrans-56.6123-174.3-158.7179.726.900111.9F702F702-Q704 PolarHBondContact O-N 3.36Å
705G76.6Confident83.5Confident42 Ų4266.1 Ų66.143%0.43334%0.338SS..THydrogen-bonded Turntrans101.7-2.1-179.200000116.1R669 Q703R669-G705 PolarHBondContact NH1-O 2.92Å; Q703-G705 PolarHBondContact O-N 3.25Å
706R82.3Confident83.6Confident37 Ų3771.6 Ų71.614%0.1435%0.352CS..  trans-57.7151.9162.4-68.5-88.4-172.7-120-13.4111.1K672 N673 E678 L697 F702 Q703 L711K672-R706 PolarHBondContact O-NH1 3Å; N673-R706 PolarHBondContact O-NH2 2.78Å; E678-R706 IonicContact OE1-CZ 2.8Å; E678-R706 IonicContact OE1-NE 3.72Å; E678-R706 PolarHBondContact OE1-NE 3.5Å; E678-R706 IonicContact OE1-NH2 3.51Å; E678-R706 PolarHBondContact OE1-NH2 3.34Å; E678-R706 IonicContact OE2-CZ 3.58Å; E678-R706 IonicContact OE2-NE 3.32Å; E678-R706 IonicContact OE2-NH2 3.53Å; E678-R706 PolarHBondContact OE2-NH2 3.02Å; L697-R706 HydrophobicContact CD1-CB 3.96Å; F702-R706 HydrophobicContact CB-CB 4.48Å; F702-R706 HydrophobicContact CB-CG 4.32Å; Q703-R706 HydrophobicContact CB-CG 4.39Å; Q703-R706 WeakPolarHBondContact O-CB 3.32Å; Q703-R706 WeakPolarHBondContact O-CG 3.45Å; Q703-R706 PolarHBondContact O-N 2.75Å; Q703-R706 VanDerWaalsContact O-N 3.15Å; R706-L711 HydrophobicContact CB-CD1 4.29Å
707K84.8Confident83.5Confident129 Ų12979.1 Ų79.156%0.56139%0.385SS*.  trans-125.9157.9170.5-62.5-169.2174.9-164.60111.1V709 D710 L711K707-V709 PolarHBondContact O-N 3.45Å; K707-V709 VanDerWaalsContact O-N 3.08Å; K707-D710 PolarHBondContact N-OD2 2.89Å; K707-D710 WeakPolarHBondContact O-CA 3.3Å; K707-D710 WeakPolarHBondContact O-CB 3.34Å; K707-D710 PolarHBondContact O-N 3.08Å; K707-L711 WeakPolarHBondContact O-CD1 3.48Å; K707-L711 PolarHBondContact O-N 2.96Å
708A83.4Confident83.2Confident14 Ų1480.2 Ų80.212%0.11639%0.39CS..Hα-helixtrans-50.8-33.6173.700000113.8W693 N694 D710 L711 A712W693-A708 HydrophobicContact CB-CB 3.6Å; N694-A708 WeakPolarHBondContact OD1-CB 3.12Å; A708-D710 VanDerWaalsContact C-N 3.33Å; A708-D710 PolarHBondContact O-N 2.99Å; A708-L711 PolarHBondContact O-N 3.12Å; A708-A712 WeakPolarHBondContact O-CB 3.5Å; A708-A712 PolarHBondContact O-N 3.13Å
709V82.6Confident82.8Confident93 Ų9374.2 Ų74.256%0.56438%0.376SS*.Hα-helixtrans-67.4-30.8175.3-177.90000112.4K707 H713K707-V709 PolarHBondContact O-N 3.45Å; K707-V709 VanDerWaalsContact O-N 3.08Å; V709-H713 PolarHBondContact O-N 3.14Å; V709-H713 VanDerWaalsContact O-N 3.13Å; V709-H713 PolarHBondContact O-ND1 2.71Å
710D85.1Confident82.1Confident68 Ų6879.7 Ų79.736%0.36439%0.392SS..Hα-helixtrans-73.2-42.3175.8-54.7-50.7000110.6F674 K707 A708 H713 K714F674-D710 HydrophobicContact CZ-CB 4.16Å; K707-D710 PolarHBondContact N-OD2 2.89Å; K707-D710 WeakPolarHBondContact O-CA 3.3Å; K707-D710 WeakPolarHBondContact O-CB 3.34Å; K707-D710 PolarHBondContact O-N 3.08Å; A708-D710 VanDerWaalsContact C-N 3.33Å; A708-D710 PolarHBondContact O-N 2.99Å; D710-H713 PolarHBondContact O-N 3.14Å; D710-K714 WeakPolarHBondContact O-CB 3.41Å; D710-K714 PolarHBondContact O-N 3Å
711L86.9Confident80.5Confident0 Ų081.5 Ų81.50%041%0.411CS..Hα-helixtrans-60.2-49174.3-84.464.7000110.7F674 L682 W693 I696 L697 F702 R706 K707 A708 H713 K714 Y715F674-L711 HydrophobicContact CE1-CD1 4.25Å; F674-L711 HydrophobicContact CZ-CD1 4.46Å; L682-L711 HydrophobicContact CD1-CB 3.79Å; L682-L711 HydrophobicContact CD1-CD2 4.09Å; L682-L711 HydrophobicContact CD1-CG 3.88Å; W693-L711 HydrophobicContact CE3-CB 4.05Å; I696-L711 HydrophobicContact CB-CD2 4.48Å; I696-L711 HydrophobicContact CG2-CD2 3.96Å; L697-L711 HydrophobicContact CB-CD2 4.05Å; L697-L711 HydrophobicContact CD1-CD1 4.02Å; L697-L711 HydrophobicContact CD1-CD2 4.31Å; F702-L711 HydrophobicContact CD1-CD1 4.3Å; F702-L711 HydrophobicContact CD2-CD2 4.29Å; F702-L711 HydrophobicContact CE1-CD1 4.36Å; F702-L711 HydrophobicContact CE1-CD2 4.15Å; F702-L711 HydrophobicContact CE1-CG 4.13Å; F702-L711 HydrophobicContact CE2-CD2 3.8Å; F702-L711 HydrophobicContact CZ-CD2 3.73Å; F702-L711 HydrophobicContact CZ-CG 4.18Å; R706-L711 HydrophobicContact CB-CD1 4.29Å; K707-L711 WeakPolarHBondContact O-CD1 3.48Å; K707-L711 PolarHBondContact O-N 2.96Å; A708-L711 PolarHBondContact O-N 3.12Å; L711-H713 VanDerWaalsContact C-N 3.33Å; L711-H713 PolarHBondContact O-N 3.28Å; L711-K714 PolarHBondContact O-N 2.96Å; L711-Y715 WeakPolarHBondContact O-CB 3.39Å; L711-Y715 PolarHBondContact O-N 2.88Å
712A85.6Confident78.8Confident14 Ų1481.8 Ų81.812%0.11641%0.412CS..Hα-helixtrans-59.2-40.2177.400000112.7W693 A708 R716W693-A712 HydrophobicContact CD2-CB 3.79Å; W693-A712 HydrophobicContact CE3-CB 4.44Å; W693-A712 HydrophobicContact CG-CB 3.98Å; W693-A712 HydrophobicContact CZ2-CB 4.24Å; A708-A712 WeakPolarHBondContact O-CB 3.5Å; A708-A712 PolarHBondContact O-N 3.13Å; A712-R716 WeakPolarHBondContact O-CB 3.43Å; A712-R716 WeakPolarHBondContact O-CG 3.45Å; A712-R716 PolarHBondContact O-N 2.9Å; A712-R716 VanDerWaalsContact O-N 3.08Å
713H83.7Confident76.6Confident115 Ų11589.3 Ų89.353%0.53245%0.45SS..Hα-helixtrans-70.3-41.4174.9-78.4118.2000112.9V709 D710 L711 K717V709-H713 PolarHBondContact O-N 3.14Å; V709-H713 VanDerWaalsContact O-N 3.13Å; V709-H713 PolarHBondContact O-ND1 2.71Å; D710-H713 PolarHBondContact O-N 3.14Å; L711-H713 VanDerWaalsContact C-N 3.33Å; L711-H713 PolarHBondContact O-N 3.28Å; H713-K717 PolarHBondContact O-N 3.23Å
714K86.3Confident74.4Confident57 Ų5792.9 Ų92.925%0.24848%0.48CS..Hα-helixtrans-63.6-46.3177.3176.665.8173.2179.50110.8F674 L682 D710 L711 K717 L718F674-K714 HydrophobicContact CB-CD 4.3Å; F674-K714 HydrophobicContact CD1-CB 4.47Å; F674-K714 HydrophobicContact CD1-CG 3.92Å; F674-K714 HydrophobicContact CD2-CB 4.16Å; F674-K714 HydrophobicContact CD2-CD 3.8Å; F674-K714 HydrophobicContact CD2-CG 3.86Å; F674-K714 HydrophobicContact CE1-CB 4.04Å; F674-K714 HydrophobicContact CE1-CG 3.99Å; F674-K714 HydrophobicContact CE2-CB 3.69Å; F674-K714 HydrophobicContact CE2-CD 4.24Å; F674-K714 HydrophobicContact CE2-CG 3.92Å; F674-K714 HydrophobicContact CG-CD 3.97Å; F674-K714 HydrophobicContact CG-CG 3.87Å; F674-K714 HydrophobicContact CZ-CB 3.63Å; F674-K714 HydrophobicContact CZ-CG 3.99Å; L682-K714 HydrophobicContact CD2-CB 3.98Å; L682-K714 HydrophobicContact CD2-CG 3.72Å; D710-K714 WeakPolarHBondContact O-CB 3.41Å; D710-K714 PolarHBondContact O-N 3Å; L711-K714 PolarHBondContact O-N 2.96Å; K714-K717 PolarHBondContact O-N 2.59Å; K714-L718 HydrophobicContact CD-CD1 4.27Å; K714-L718 HydrophobicContact CD-CG 4.42Å; K714-L718 HydrophobicContact CG-CD1 4.15Å; K714-L718 WeakPolarHBondContact O-CG 3.28Å; K714-L718 PolarHBondContact O-N 2.67Å
715Y86.1Confident72.6Confident51 Ų5188 Ų8820%0.248%0.475CS..Hα-helixtrans-60.8-49.6176.8-170.8-101.2000111.4L682 F683 V686 W693 L711 K717 L718 T719L682-Y715 HydrophobicContact CG-CD2 4.24Å; F683-Y715 HydrophobicContact CD1-CD2 4.33Å; F683-Y715 AromaticContact CD1-CE2 3.69Å; F683-Y715 HydrophobicContact CD1-CE2 3.69Å; F683-Y715 HydrophobicContact CE1-CD2 4.23Å; F683-Y715 AromaticContact CE1-CE2 3.7Å; F683-Y715 HydrophobicContact CE1-CE2 3.7Å; V686-Y715 HydrophobicContact CB-CE2 3.96Å; V686-Y715 HydrophobicContact CG1-CE1 4.15Å; V686-Y715 HydrophobicContact CG1-CE2 4.02Å; V686-Y715 WeakPolarHBondContact CG1-OH 3.42Å; V686-Y715 HydrophobicContact CG2-CD2 3.95Å; V686-Y715 HydrophobicContact CG2-CE2 3.87Å; V686-Y715 HydrophobicContact CG2-CG 4.33Å; W693-Y715 AromaticContact CH2-CD1 3.57Å; W693-Y715 HydrophobicContact CH2-CD1 3.57Å; W693-Y715 HydrophobicContact CH2-CD2 4.5Å; W693-Y715 HydrophobicContact CH2-CE1 4.35Å; W693-Y715 AromaticContact CH2-CG 3.65Å; W693-Y715 HydrophobicContact CH2-CG 3.65Å; W693-Y715 HydrophobicContact CZ2-CD1 4.38Å; W693-Y715 HydrophobicContact CZ3-CD1 4.46Å; W693-Y715 HydrophobicContact CZ3-CG 4.1Å; L711-Y715 WeakPolarHBondContact O-CB 3.39Å; L711-Y715 PolarHBondContact O-N 2.88Å; Y715-K717 PolarHBondContact O-N 3.32Å; Y715-L718 PolarHBondContact O-N 3.35Å; Y715-L718 VanDerWaalsContact O-N 3.09Å; Y715-T719 HydrophobicContact CD1-CG2 4.01Å; Y715-T719 HydrophobicContact CD2-CG2 4.41Å; Y715-T719 HydrophobicContact CE1-CG2 3.58Å; Y715-T719 HydrophobicContact CE2-CG2 4.01Å; Y715-T719 HydrophobicContact CG-CG2 4.41Å; Y715-T719 PolarHBondContact O-N 2.77Å; Y715-T719 PolarHBondContact O-OG1 3.34Å; Y715-T719 VanDerWaalsContact O-OG1 3.12Å
716R84.1Confident70.6Confident159 Ų15990.5 Ų90.560%0.649%0.492SS*.Hα-helixtrans-58.9-30.4175.2-75.8175.2-178.9-169.71113.8A712 K720A712-R716 WeakPolarHBondContact O-CB 3.43Å; A712-R716 WeakPolarHBondContact O-CG 3.45Å; A712-R716 PolarHBondContact O-N 2.9Å; A712-R716 VanDerWaalsContact O-N 3.08Å; R716-K720 VanDerWaalsContact O-CB 3.26Å; R716-K720 WeakPolarHBondContact O-CB 3.27Å; R716-K720 VanDerWaalsContact O-CG 3.3Å; R716-K720 WeakPolarHBondContact O-CG 3.42Å; R716-K720 PolarHBondContact O-N 3.28Å
717K83Confident68.2Low159 Ų15994.5 Ų94.569%0.69153%0.525SS*.Hα-helixtrans-74.9-39.5175-168.8178.3179.9-174.30111.4H713 K714 Y715 S721H713-K717 PolarHBondContact O-N 3.23Å; K714-K717 PolarHBondContact O-N 2.59Å; Y715-K717 PolarHBondContact O-N 3.32Å; K717-S721 PolarHBondContact O-OG 3.4Å
718L81.6Confident65.8Low57 Ų5798 Ų9830%0.29857%0.566SS.*Hα-helixtrans-66.5-47.3176.8-67.5167000111.6V679 F683 K714 Y715 K720 S721V679-L718 HydrophobicContact CG1-CD1 3.92Å; V679-L718 HydrophobicContact CG2-CD1 4.43Å; F683-L718 HydrophobicContact CE2-CD1 3.81Å; F683-L718 HydrophobicContact CZ-CB 4.02Å; F683-L718 HydrophobicContact CZ-CD1 3.96Å; K714-L718 HydrophobicContact CD-CD1 4.27Å; K714-L718 HydrophobicContact CD-CG 4.42Å; K714-L718 HydrophobicContact CG-CD1 4.15Å; K714-L718 WeakPolarHBondContact O-CG 3.28Å; K714-L718 PolarHBondContact O-N 2.67Å; Y715-L718 PolarHBondContact O-N 3.35Å; Y715-L718 VanDerWaalsContact O-N 3.09Å; L718-K720 VanDerWaalsContact C-N 3.28Å; L718-K720 PolarHBondContact O-N 3.45Å; L718-S721 PolarHBondContact O-N 3.35Å
719T76.3Confident64.9Low72 Ų72102.2 Ų102.244%0.44259%0.588SS.*Hα-helixtrans-75.5-11.5-178.358.20000114.6Y715Y715-T719 HydrophobicContact CD1-CG2 4.01Å; Y715-T719 HydrophobicContact CD2-CG2 4.41Å; Y715-T719 HydrophobicContact CE1-CG2 3.58Å; Y715-T719 HydrophobicContact CE2-CG2 4.01Å; Y715-T719 HydrophobicContact CG-CG2 4.41Å; Y715-T719 PolarHBondContact O-N 2.77Å; Y715-T719 PolarHBondContact O-OG1 3.34Å; Y715-T719 VanDerWaalsContact O-OG1 3.12Å
720K68.4Low63.9Low173 Ų173102.6 Ų102.675%0.75259%0.589SS**THydrogen-bonded Turntrans-98.813.1172.3-72.8-166.2169.1-154.30114.1R716 L718R716-K720 VanDerWaalsContact O-CB 3.26Å; R716-K720 WeakPolarHBondContact O-CB 3.27Å; R716-K720 VanDerWaalsContact O-CG 3.3Å; R716-K720 WeakPolarHBondContact O-CG 3.42Å; R716-K720 PolarHBondContact O-N 3.28Å; L718-K720 VanDerWaalsContact C-N 3.28Å; L718-K720 PolarHBondContact O-N 3.45Å
721S51Low62.8Low84 Ų84104.6 Ų104.659%0.58760%0.602SS**  trans-126.457.1177.1-62.60000114.5K717 L718K717-S721 PolarHBondContact O-OG 3.4Å; L718-S721 PolarHBondContact O-N 3.35Å
722P48.4Very low61.3Low101 Ų101110.7 Ų110.766%0.65664%0.637SS**  trans-68.8156.114634.6-31.7000109.8
723M40.4Very low59.8Low183 Ų183116.8 Ų116.890%0.90167%0.67SS**  trans65.694.4-179.1-49.3-164.691.500116.3
724C35.2Very low58.2Low138 Ų138116.9 Ų116.993%0.93268%0.679SS**  -172.474.7119.4-101.90000109.9
725A33.5Very low56.2Low102 Ų102121.1 Ų121.184%0.84371%0.71SS**SBendtrans-159.855.2176.600000112
726A33.7Very low53.9Low95 Ų95126.5 Ų126.579%0.78575%0.749SS**  trans-168.898.6168.600000111.6
727S31.9Very low51.4Low120 Ų120123.8 Ų123.884%0.83976%0.762SS**  trans168.4121.1147.4-77.20000109.5
728S33.7Very low48.6Very low202 Ų202120.6 Ų120.6100%1.41377%0.768SS**  trans67.30178.3-46.10000115.2

Retrieved 728 of 728 residues in 167.2 ms (Link to these results)

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