A0A077Z8X6_TRITR Loading...

HTH Tnp Tc5 and BrkDBD domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z8X6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 160 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
1M68.4Low91.7Very high248 Ų24898.3 Ų98.3100%1.22248%0.479SS*.  0135.60-75-177.3-165.600110
2A83.2Confident92.3Very high98 Ų9893.8 Ų93.881%0.8146%0.459SS*.PPolyproline II helixtrans-79.5135174.100000111R4A2-R4 PolarHBondContact O-N 3.47Å
3R87.5Confident92.7Very high243 Ų24393 Ų9392%0.91745%0.454SS*.PPolyproline II helixtrans-64.6125.2174.3-179.4-179.1-79179.3-4.2109.6
4R91.3Very high93.2Very high182 Ų18286.4 Ų86.469%0.68742%0.421SS*.PPolyproline II helixtrans-70.9145.3177.4-63.2-176.3179.6-165.4-4.3111.2A2 Y6 G31A2-R4 PolarHBondContact O-N 3.47Å; R4-Y6 HydrophobicContact CB-CE2 3.84Å; R4-Y6 WeakPolarHBondContact CD-OH 3.23Å; R4-G31 PolarHBondContact NH1-O 3.44Å
5S92.6Very high93.5Very high66 Ų6680.7 Ų80.746%0.46239%0.394SS..  trans-135.2136.3174.268.80000109.5R55S5-R55 WeakPolarHBondContact OG-CD 3.25Å; S5-R55 PolarHBondContact OG-NH1 3.03Å
6Y96.8Very high93.8Very high36 Ų3682.8 Ų82.814%0.14140%0.4CS..  trans-119.5136.6-172.9-54.8-85.3000109.1R4 F10 K11 V32 M36 W40 R55R4-Y6 HydrophobicContact CB-CE2 3.84Å; R4-Y6 WeakPolarHBondContact CD-OH 3.23Å; Y6-F10 AromaticContact CD1-CD1 3.4Å; Y6-F10 HydrophobicContact CD1-CD1 3.4Å; Y6-F10 AromaticContact CD1-CE1 3.2Å; Y6-F10 HydrophobicContact CD1-CE1 3.2Å; Y6-F10 HydrophobicContact CD1-CG 4.23Å; Y6-F10 AromaticContact CD1-CZ 3.9Å; Y6-F10 HydrophobicContact CD1-CZ 3.9Å; Y6-F10 HydrophobicContact CE1-CD1 4.26Å; Y6-F10 AromaticContact CE1-CE1 3.6Å; Y6-F10 HydrophobicContact CE1-CE1 3.6Å; Y6-F10 AromaticContact CE1-CZ 3.97Å; Y6-F10 HydrophobicContact CE1-CZ 3.97Å; Y6-F10 AromaticContact CG-CD1 3.95Å; Y6-F10 HydrophobicContact CG-CD1 3.95Å; Y6-F10 HydrophobicContact CG-CE1 4.03Å; Y6-K11 WeakPolarHBondContact O-CE 3.47Å; Y6-K11 PolarHBondContact O-NZ 2.88Å; Y6-K11 VanDerWaalsContact O-NZ 3.09Å; Y6-V32 HydrophobicContact CE1-CG1 3.8Å; Y6-V32 HydrophobicContact CE2-CG1 4.39Å; Y6-M36 HydrophobicContact CD2-CE 3.57Å; Y6-M36 HydrophobicContact CE2-CE 3.28Å; Y6-W40 HydrophobicContact CD1-CH2 4.37Å; Y6-W40 AromaticContact CD2-CH2 3.76Å; Y6-W40 HydrophobicContact CD2-CH2 3.76Å; Y6-W40 AromaticContact CD2-CZ2 3.78Å; Y6-W40 HydrophobicContact CD2-CZ2 3.78Å; Y6-W40 HydrophobicContact CE2-CH2 4.26Å; Y6-W40 AromaticContact CG-CH2 3.82Å; Y6-W40 HydrophobicContact CG-CH2 3.82Å; Y6-W40 HydrophobicContact CG-CZ2 4.08Å; Y6-R55 VanDerWaalsContact O-CA 3.3Å; Y6-R55 WeakPolarHBondContact O-CA 3.27Å; Y6-R55 WeakPolarHBondContact O-CB 3.36Å
7D97.4Very high94.1Very high46 Ų4678.3 Ų78.325%0.24638%0.379CS..  trans-78.1171.3173.960.325000111.8D9 F10 K11 K52 R55D7-D9 VanDerWaalsContact C-N 3.31Å; D7-F10 WeakPolarHBondContact OD1-CB 3.45Å; D7-F10 PolarHBondContact OD1-N 3.28Å; D7-K11 WeakPolarHBondContact O-CD 3.48Å; D7-K11 WeakPolarHBondContact O-CG 3.47Å; D7-K11 PolarHBondContact O-N 3.1Å; D7-K52 WeakPolarHBondContact CB-O 3.5Å; D7-R55 HydrophobicContact CB-CG 3.95Å
8A97Very high94.3Very high1 Ų173.9 Ų73.91%0.00836%0.358CS..Hα-helixtrans-66.5-37.6-176.400000111.2K11 L12 M50 K52 Q54A8-K11 PolarHBondContact O-N 2.82Å; A8-L12 WeakPolarHBondContact O-CG 3.32Å; A8-L12 PolarHBondContact O-N 2.83Å; A8-M50 HydrophobicContact CB-CB 4Å; A8-K52 PolarHBondContact N-O 2.93Å; A8-Q54 PolarHBondContact N-O 3.11Å
9D97.8Very high94.5Very high78 Ų7875.4 Ų75.442%0.41736%0.362SS..Hα-helixtrans-61.2-50.9179.7-158.760.9000111.6D7 K11 L12 E13 K52D7-D9 VanDerWaalsContact C-N 3.31Å; D9-K11 VanDerWaalsContact C-N 3.32Å; D9-K11 PolarHBondContact O-N 3.49Å; D9-L12 PolarHBondContact O-N 3.13Å; D9-E13 PolarHBondContact O-N 3.12Å; D9-K52 HydrophobicContact CB-CB 4.07Å; D9-K52 PolarHBondContact N-O 2.74Å; D9-K52 VanDerWaalsContact N-O 3.09Å; D9-K52 WeakPolarHBondContact OD1-CD 3.13Å; D9-K52 IonicContact OD1-NZ 3.19Å
10F98.5Very high94.7Very high62 Ų6278.1 Ų78.127%0.27237%0.374SS..Hα-helixtrans-58.5-43.6175.2178.4-89.1000112.1Y6 D7 L12 E13 V14 Y30 V32 W40Y6-F10 AromaticContact CD1-CD1 3.4Å; Y6-F10 HydrophobicContact CD1-CD1 3.4Å; Y6-F10 AromaticContact CD1-CE1 3.2Å; Y6-F10 HydrophobicContact CD1-CE1 3.2Å; Y6-F10 HydrophobicContact CD1-CG 4.23Å; Y6-F10 AromaticContact CD1-CZ 3.9Å; Y6-F10 HydrophobicContact CD1-CZ 3.9Å; Y6-F10 HydrophobicContact CE1-CD1 4.26Å; Y6-F10 AromaticContact CE1-CE1 3.6Å; Y6-F10 HydrophobicContact CE1-CE1 3.6Å; Y6-F10 AromaticContact CE1-CZ 3.97Å; Y6-F10 HydrophobicContact CE1-CZ 3.97Å; Y6-F10 AromaticContact CG-CD1 3.95Å; Y6-F10 HydrophobicContact CG-CD1 3.95Å; Y6-F10 HydrophobicContact CG-CE1 4.03Å; D7-F10 WeakPolarHBondContact OD1-CB 3.45Å; D7-F10 PolarHBondContact OD1-N 3.28Å; F10-L12 VanDerWaalsContact C-N 3.32Å; F10-L12 PolarHBondContact O-N 2.97Å; F10-E13 PolarHBondContact O-N 3.42Å; F10-V14 HydrophobicContact CD1-CG2 3.91Å; F10-V14 HydrophobicContact CE1-CG2 3.54Å; F10-V14 HydrophobicContact CZ-CG2 3.91Å; F10-V14 VanDerWaalsContact O-CG2 3.23Å; F10-V14 WeakPolarHBondContact O-CG2 3.43Å; F10-V14 PolarHBondContact O-N 3.02Å; F10-Y30 AromaticContact CE2-CD1 3.93Å; F10-Y30 HydrophobicContact CE2-CD1 3.93Å; F10-Y30 AromaticContact CZ-CD1 3.99Å; F10-Y30 HydrophobicContact CZ-CD1 3.99Å; F10-Y30 HydrophobicContact CZ-CG 4.35Å; F10-V32 HydrophobicContact CE1-CG1 4.04Å; F10-V32 HydrophobicContact CZ-CG1 4.32Å; F10-W40 HydrophobicContact CE1-CH2 4.28Å; F10-W40 HydrophobicContact CE1-CZ3 4.27Å
11K98.3Very high94.7Very high21 Ų2177.5 Ų77.59%0.09138%0.376CS..Hα-helixtrans-63.4-39.9179.6-67.3170.7-172.2161.60111.7Y6 D7 A8 D9 V14 V15 W40 L47 R55Y6-K11 WeakPolarHBondContact O-CE 3.47Å; Y6-K11 PolarHBondContact O-NZ 2.88Å; Y6-K11 VanDerWaalsContact O-NZ 3.09Å; D7-K11 WeakPolarHBondContact O-CD 3.48Å; D7-K11 WeakPolarHBondContact O-CG 3.47Å; D7-K11 PolarHBondContact O-N 3.1Å; A8-K11 PolarHBondContact O-N 2.82Å; D9-K11 VanDerWaalsContact C-N 3.32Å; D9-K11 PolarHBondContact O-N 3.49Å; K11-V14 PolarHBondContact O-N 3.26Å; K11-V15 VanDerWaalsContact O-CG2 3.28Å; K11-V15 WeakPolarHBondContact O-CG2 3.28Å; K11-V15 PolarHBondContact O-N 3.05Å; K11-W40 HydrophobicContact CB-CD2 3.93Å; K11-W40 HydrophobicContact CB-CE3 4.11Å; K11-W40 HydrophobicContact CB-CG 4.12Å; K11-W40 HydrophobicContact CD-CD2 4.11Å; K11-W40 HydrophobicContact CD-CG 4.21Å; K11-W40 HydrophobicContact CD-CZ2 4.14Å; K11-W40 HydrophobicContact CG-CD2 3.6Å; K11-W40 VanDerWaalsContact CG-CE2 3.48Å; K11-W40 HydrophobicContact CG-CE3 3.94Å; K11-W40 HydrophobicContact CG-CG 4.08Å; K11-W40 HydrophobicContact CG-CH2 4.02Å; K11-W40 HydrophobicContact CG-CZ2 3.7Å; K11-W40 HydrophobicContact CG-CZ3 4.14Å; K11-L47 HydrophobicContact CB-CD1 3.86Å; K11-L47 HydrophobicContact CB-CD2 4.33Å; K11-L47 HydrophobicContact CD-CD1 4.4Å; K11-L47 HydrophobicContact CD-CD2 3.71Å; K11-R55 PolarHBondContact NZ-O 3.33Å
12L98.4Very high96.1Very high45 Ų4568.8 Ų68.824%0.23633%0.334CS..Hα-helixtrans-66.1-40177.3-75.2169.1000111.4A8 D9 F10 V14 V15 K16 E44 L47 K48A8-L12 WeakPolarHBondContact O-CG 3.32Å; A8-L12 PolarHBondContact O-N 2.83Å; D9-L12 PolarHBondContact O-N 3.13Å; F10-L12 VanDerWaalsContact C-N 3.32Å; F10-L12 PolarHBondContact O-N 2.97Å; L12-V14 VanDerWaalsContact C-N 3.35Å; L12-V14 PolarHBondContact O-N 3.24Å; L12-V15 PolarHBondContact O-N 3.24Å; L12-K16 WeakPolarHBondContact O-CB 3.42Å; L12-K16 PolarHBondContact O-N 2.92Å; L12-E44 HydrophobicContact CD2-CG 4.15Å; L12-L47 HydrophobicContact CD2-CB 3.82Å; L12-L47 HydrophobicContact CG-CB 4.05Å; L12-K48 HydrophobicContact CD1-CG 4.49Å; L12-K48 HydrophobicContact CD2-CG 3.89Å
13E98.4Very high96.8Very high83 Ų8365.7 Ų65.739%0.38830%0.304SS..Hα-helixtrans-61.8-42.7174.6-179.854.8-153.600111.9D9 F10 V15 K16 T17 Y30D9-E13 PolarHBondContact O-N 3.12Å; F10-E13 PolarHBondContact O-N 3.42Å; E13-V15 VanDerWaalsContact C-N 3.35Å; E13-V15 PolarHBondContact O-N 3.17Å; E13-K16 PolarHBondContact O-N 3.03Å; E13-T17 PolarHBondContact O-N 3.01Å; E13-Y30 HydrophobicContact CG-CE1 4.18Å; E13-Y30 PolarHBondContact OE1-OH 3.19Å; E13-Y30 VanDerWaalsContact OE1-OH 3.11Å
14V98.6Very high97.3Very high0 Ų055.8 Ų55.80%027%0.274CS..Hα-helixtrans-62.1-42.7173.3176.40000111.3F10 K11 L12 T17 A18 A26 Y30 V32 V37 W40F10-V14 HydrophobicContact CD1-CG2 3.91Å; F10-V14 HydrophobicContact CE1-CG2 3.54Å; F10-V14 HydrophobicContact CZ-CG2 3.91Å; F10-V14 VanDerWaalsContact O-CG2 3.23Å; F10-V14 WeakPolarHBondContact O-CG2 3.43Å; F10-V14 PolarHBondContact O-N 3.02Å; K11-V14 PolarHBondContact O-N 3.26Å; L12-V14 VanDerWaalsContact C-N 3.35Å; L12-V14 PolarHBondContact O-N 3.24Å; V14-T17 PolarHBondContact O-N 2.92Å; V14-A18 VanDerWaalsContact O-CB 3.32Å; V14-A18 WeakPolarHBondContact O-CB 3.5Å; V14-A18 PolarHBondContact O-N 2.8Å; V14-A26 HydrophobicContact CG1-CB 4.49Å; V14-Y30 HydrophobicContact CB-CD2 4.22Å; V14-Y30 HydrophobicContact CB-CE2 4.47Å; V14-Y30 HydrophobicContact CG1-CD2 4.17Å; V14-Y30 HydrophobicContact CG2-CD1 3.88Å; V14-Y30 HydrophobicContact CG2-CD2 3.72Å; V14-Y30 HydrophobicContact CG2-CE1 4.31Å; V14-Y30 HydrophobicContact CG2-CE2 4.19Å; V14-Y30 HydrophobicContact CG2-CG 3.57Å; V14-V32 HydrophobicContact CG1-CG2 4.34Å; V14-V37 HydrophobicContact CG1-CB 4.48Å; V14-V37 HydrophobicContact CG1-CG1 4.19Å; V14-V37 HydrophobicContact CG1-CG2 3.8Å; V14-W40 HydrophobicContact CB-CE3 4.2Å; V14-W40 HydrophobicContact CB-CZ3 4.19Å; V14-W40 HydrophobicContact CG1-CE3 4.04Å; V14-W40 HydrophobicContact CG1-CZ3 4.05Å; V14-W40 HydrophobicContact CG2-CZ3 4.12Å
15V98.4Very high97.6Very high2 Ų252.2 Ų52.21%0.01227%0.265CS..Hα-helixtrans-64.2-41.4177.6168.30000111.3K11 L12 E13 A18 K19 W40 R41 E44K11-V15 VanDerWaalsContact O-CG2 3.28Å; K11-V15 WeakPolarHBondContact O-CG2 3.28Å; K11-V15 PolarHBondContact O-N 3.05Å; L12-V15 PolarHBondContact O-N 3.24Å; E13-V15 VanDerWaalsContact C-N 3.35Å; E13-V15 PolarHBondContact O-N 3.17Å; V15-A18 PolarHBondContact O-N 3.12Å; V15-K19 WeakPolarHBondContact O-CG 3.31Å; V15-K19 PolarHBondContact O-N 3.1Å; V15-W40 HydrophobicContact CG2-CB 3.7Å; V15-R41 HydrophobicContact CG1-CB 4.41Å; V15-R41 HydrophobicContact CG1-CG 4.35Å; V15-R41 HydrophobicContact CG2-CB 4.3Å; V15-E44 HydrophobicContact CG1-CB 4.32Å; V15-E44 HydrophobicContact CG1-CG 3.99Å
16K98.4Very high97.9Very high114 Ų11449.1 Ų49.150%0.49624%0.243SC..Hα-helixtrans-57.8-53.2175.6-177.8-175.2173.3-1700110.8L12 E13 A18 K19 E20L12-K16 WeakPolarHBondContact O-CB 3.42Å; L12-K16 PolarHBondContact O-N 2.92Å; E13-K16 PolarHBondContact O-N 3.03Å; K16-A18 VanDerWaalsContact C-N 3.27Å; K16-A18 PolarHBondContact O-N 3.2Å; K16-K19 WeakPolarHBondContact O-CB 3.47Å; K16-K19 PolarHBondContact O-N 3.29Å; K16-K19 VanDerWaalsContact O-N 3.08Å; K16-E20 WeakPolarHBondContact CE-OE1 3.23Å; K16-E20 PolarHBondContact O-N 3Å; K16-E20 VanDerWaalsContact O-N 3.12Å
17T98.5Very high98Very high6 Ų647.8 Ų47.84%0.03724%0.24CC..Hα-helixtrans-59.4-38.6176-66.60000112E13 V14 K19 E20 T21 A26 K29 Y30E13-T17 PolarHBondContact O-N 3.01Å; V14-T17 PolarHBondContact O-N 2.92Å; T17-K19 VanDerWaalsContact C-N 3.26Å; T17-K19 PolarHBondContact O-N 3.17Å; T17-E20 PolarHBondContact O-N 3.34Å; T17-T21 PolarHBondContact O-N 3.25Å; T17-T21 PolarHBondContact O-OG1 3.42Å; T17-A26 HydrophobicContact CG2-CB 4.11Å; T17-K29 HydrophobicContact CG2-CD 3.9Å; T17-K29 PolarHBondContact OG1-NZ 3.35Å; T17-Y30 HydrophobicContact CG2-CE2 3.98Å; T17-Y30 WeakPolarHBondContact OG1-CE2 3.46Å; T17-Y30 PolarHBondContact OG1-OH 3.42Å
18A98.2Very high98Very high0 Ų056 Ų560%027%0.268CS..Hα-helixtrans-68.2-23.9179.500000113.7V14 V15 K16 A26 V37 R41V14-A18 VanDerWaalsContact O-CB 3.32Å; V14-A18 WeakPolarHBondContact O-CB 3.5Å; V14-A18 PolarHBondContact O-N 2.8Å; V15-A18 PolarHBondContact O-N 3.12Å; K16-A18 VanDerWaalsContact C-N 3.27Å; K16-A18 PolarHBondContact O-N 3.2Å; A18-A26 HydrophobicContact CB-CB 3.67Å; A18-V37 HydrophobicContact CB-CG1 3.54Å; A18-R41 PolarHBondContact O-NH1 2.93Å
19K98.1Very high98Very high102 Ų10262.4 Ų62.444%0.44330%0.295SS..Hα-helixtrans-78.5-39.3171.9-75.1-179.8171-1760112.2V15 K16 T17 T21 E44V15-K19 WeakPolarHBondContact O-CG 3.31Å; V15-K19 PolarHBondContact O-N 3.1Å; K16-K19 WeakPolarHBondContact O-CB 3.47Å; K16-K19 PolarHBondContact O-N 3.29Å; K16-K19 VanDerWaalsContact O-N 3.08Å; T17-K19 VanDerWaalsContact C-N 3.26Å; T17-K19 PolarHBondContact O-N 3.17Å; K19-T21 VanDerWaalsContact C-N 3.33Å; K19-E44 WeakPolarHBondContact CE-OE2 3.43Å; K19-E44 IonicContact NZ-OE1 2.87Å; K19-E44 PolarHBondContact NZ-OE1 3.26Å; K19-E44 IonicContact NZ-OE2 3.64Å; K19-E44 PolarHBondContact NZ-OE2 2.85Å
20E97.8Very high98Very high129 Ų12960.8 Ų60.860%0.60328%0.284SS*.Hα-helixtrans-70.8-30.6177.7-68.2166-179.700112.3K16 T17K16-E20 WeakPolarHBondContact CE-OE1 3.23Å; K16-E20 PolarHBondContact O-N 3Å; K16-E20 VanDerWaalsContact O-N 3.12Å; T17-E20 PolarHBondContact O-N 3.34Å
21T96.4Very high97.9Very high66 Ų6660.1 Ų60.141%0.40529%0.294SS..SBendtrans-118.7-109.2-179.460.30000110.8T17 K19T17-T21 PolarHBondContact O-N 3.25Å; T17-T21 PolarHBondContact O-OG1 3.42Å; K19-T21 VanDerWaalsContact C-N 3.33Å
22N96.8Very high97.9Very high64 Ų6459.8 Ų59.834%0.34229%0.293SS..  trans-153.3167.9169.861.768.1000109.9A24 Q25 A26N22-A24 PolarHBondContact O-N 2.97Å; N22-A24 WeakPolarHBondContact OD1-CB 3.34Å; N22-A24 PolarHBondContact OD1-N 3.45Å; N22-Q25 PolarHBondContact ND2-NE2 3.36Å; N22-Q25 VanDerWaalsContact ND2-NE2 3.11Å; N22-Q25 PolarHBondContact O-N 3.43Å; N22-Q25 PolarHBondContact OD1-N 2.96Å; N22-A26 PolarHBondContact O-N 3.14Å; N22-A26 VanDerWaalsContact O-N 3.09Å
23N97.8Very high97.8Very high34 Ų3460.5 Ų60.518%0.18230%0.302CS..Hα-helixtrans-61.6-30.3-175.2-58.5-31.8000113.4A27 R34 V37 I38 R41N23-A27 VanDerWaalsContact O-CB 3.26Å; N23-A27 WeakPolarHBondContact O-CB 3.46Å; N23-A27 PolarHBondContact O-N 3.24Å; N23-A27 VanDerWaalsContact O-N 3.12Å; N23-R34 HydrophobicContact CB-CG 4.37Å; N23-V37 HydrophobicContact CB-CG1 4.12Å; N23-I38 HydrophobicContact CB-CG1 4.27Å; N23-R41 PolarHBondContact OD1-NH1 3.04Å
24A97.8Very high97.8Very high35 Ų3564 Ų6429%0.28931%0.312SS..Hα-helixtrans-76.5-41.8-178.500000111.7N22 A27 R28N22-A24 PolarHBondContact O-N 2.97Å; N22-A24 WeakPolarHBondContact OD1-CB 3.34Å; N22-A24 PolarHBondContact OD1-N 3.45Å; A24-A27 PolarHBondContact O-N 3.09Å; A24-R28 WeakPolarHBondContact O-CG 3.44Å; A24-R28 PolarHBondContact O-N 3.29Å; A24-R28 VanDerWaalsContact O-N 3.09Å
25Q98.1Very high97.7Very high107 Ų10770.4 Ų70.450%0.534%0.34SS..Hα-helixtrans-64.9-44.9175.3-72-176.426.600111.5N22 A27 R28 K29N22-Q25 PolarHBondContact ND2-NE2 3.36Å; N22-Q25 VanDerWaalsContact ND2-NE2 3.11Å; N22-Q25 PolarHBondContact O-N 3.43Å; N22-Q25 PolarHBondContact OD1-N 2.96Å; Q25-A27 VanDerWaalsContact C-N 3.35Å; Q25-A27 PolarHBondContact O-N 2.84Å; Q25-R28 PolarHBondContact O-N 2.94Å; Q25-K29 WeakPolarHBondContact O-CB 3.45Å; Q25-K29 PolarHBondContact O-N 2.94Å
26A98.4Very high97.7Very high0 Ų073 Ų730%035%0.352CS..Hα-helixtrans-59.7-4417500000112.1V14 T17 A18 N22 R28 K29 Y30 V37V14-A26 HydrophobicContact CG1-CB 4.49Å; T17-A26 HydrophobicContact CG2-CB 4.11Å; A18-A26 HydrophobicContact CB-CB 3.67Å; N22-A26 PolarHBondContact O-N 3.14Å; N22-A26 VanDerWaalsContact O-N 3.09Å; A26-R28 VanDerWaalsContact C-N 3.33Å; A26-R28 PolarHBondContact O-N 3.13Å; A26-K29 PolarHBondContact O-N 3.26Å; A26-Y30 VanDerWaalsContact O-CD2 3.3Å; A26-Y30 WeakPolarHBondContact O-CD2 3.48Å; A26-Y30 PolarHBondContact O-N 2.71Å; A26-V37 HydrophobicContact CB-CG1 4.27Å
27A98.2Very high97.7Very high9 Ų967.6 Ų67.67%0.07433%0.329CS..Hα-helixtrans-57.5-44.8176.600000112.5N23 A24 Q25 G31 V32 R34 V37N23-A27 VanDerWaalsContact O-CB 3.26Å; N23-A27 WeakPolarHBondContact O-CB 3.46Å; N23-A27 PolarHBondContact O-N 3.24Å; N23-A27 VanDerWaalsContact O-N 3.12Å; A24-A27 PolarHBondContact O-N 3.09Å; Q25-A27 VanDerWaalsContact C-N 3.35Å; Q25-A27 PolarHBondContact O-N 2.84Å; A27-G31 PolarHBondContact O-N 3.01Å; A27-V32 CarbonylContact C-O 3.53Å; A27-V32 WeakPolarHBondContact CB-O 3.4Å; A27-V32 PolarHBondContact O-N 3.19Å; A27-V32 VanDerWaalsContact O-N 3.08Å; A27-R34 HydrophobicContact CB-CB 4.21Å; A27-V37 HydrophobicContact CB-CG2 3.96Å
28R98.1Very high97.7Very high218 Ų21869.5 Ų69.582%0.82334%0.339SS*.Hα-helixtrans-64.3-48.5175.8-70.7178.5-177.4-178.30.6111.8A24 Q25 A26 Y30 G31A24-R28 WeakPolarHBondContact O-CG 3.44Å; A24-R28 PolarHBondContact O-N 3.29Å; A24-R28 VanDerWaalsContact O-N 3.09Å; Q25-R28 PolarHBondContact O-N 2.94Å; A26-R28 VanDerWaalsContact C-N 3.33Å; A26-R28 PolarHBondContact O-N 3.13Å; R28-Y30 VanDerWaalsContact C-N 3.34Å; R28-Y30 PolarHBondContact O-N 3.23Å; R28-G31 PolarHBondContact O-N 3.24Å
29K98Very high97.7Very high135 Ų13571.7 Ų71.759%0.58735%0.35SS*.Hα-helixtrans-56.8-44.1-179.2-175.9-173.9176.6-169.80112.5T17 Q25 A26T17-K29 HydrophobicContact CG2-CD 3.9Å; T17-K29 PolarHBondContact OG1-NZ 3.35Å; Q25-K29 WeakPolarHBondContact O-CB 3.45Å; Q25-K29 PolarHBondContact O-N 2.94Å; A26-K29 PolarHBondContact O-N 3.26Å
30Y97.7Very high97.7Very high45 Ų4567.8 Ų67.818%0.17633%0.333CS..Hα-helixtrans-97.71.2-174.7-67.8-81.4000114.3F10 E13 V14 T17 A26 R28 V32F10-Y30 AromaticContact CE2-CD1 3.93Å; F10-Y30 HydrophobicContact CE2-CD1 3.93Å; F10-Y30 AromaticContact CZ-CD1 3.99Å; F10-Y30 HydrophobicContact CZ-CD1 3.99Å; F10-Y30 HydrophobicContact CZ-CG 4.35Å; E13-Y30 HydrophobicContact CG-CE1 4.18Å; E13-Y30 PolarHBondContact OE1-OH 3.19Å; E13-Y30 VanDerWaalsContact OE1-OH 3.11Å; V14-Y30 HydrophobicContact CB-CD2 4.22Å; V14-Y30 HydrophobicContact CB-CE2 4.47Å; V14-Y30 HydrophobicContact CG1-CD2 4.17Å; V14-Y30 HydrophobicContact CG2-CD1 3.88Å; V14-Y30 HydrophobicContact CG2-CD2 3.72Å; V14-Y30 HydrophobicContact CG2-CE1 4.31Å; V14-Y30 HydrophobicContact CG2-CE2 4.19Å; V14-Y30 HydrophobicContact CG2-CG 3.57Å; T17-Y30 HydrophobicContact CG2-CE2 3.98Å; T17-Y30 WeakPolarHBondContact OG1-CE2 3.46Å; T17-Y30 PolarHBondContact OG1-OH 3.42Å; A26-Y30 VanDerWaalsContact O-CD2 3.3Å; A26-Y30 WeakPolarHBondContact O-CD2 3.48Å; A26-Y30 PolarHBondContact O-N 2.71Å; R28-Y30 VanDerWaalsContact C-N 3.34Å; R28-Y30 PolarHBondContact O-N 3.23Å; Y30-V32 VanDerWaalsContact C-N 3.31Å; Y30-V32 PolarHBondContact O-N 2.93Å
31G96.4Very high97.7Very high47 Ų4766.6 Ų66.649%0.48532%0.323SS..THydrogen-bonded Turntrans59.540.1-178.900000113.3R4 A27 R28R4-G31 PolarHBondContact NH1-O 3.44Å; A27-G31 PolarHBondContact O-N 3.01Å; R28-G31 PolarHBondContact O-N 3.24Å
32V97.1Very high97.7Very high14 Ų1473.1 Ų73.19%0.08534%0.34CS..  trans-118.5159.5176.7-61.70000110.2Y6 F10 V14 A27 Y30 V37 W40Y6-V32 HydrophobicContact CE1-CG1 3.8Å; Y6-V32 HydrophobicContact CE2-CG1 4.39Å; F10-V32 HydrophobicContact CE1-CG1 4.04Å; F10-V32 HydrophobicContact CZ-CG1 4.32Å; V14-V32 HydrophobicContact CG1-CG2 4.34Å; A27-V32 CarbonylContact C-O 3.53Å; A27-V32 WeakPolarHBondContact CB-O 3.4Å; A27-V32 PolarHBondContact O-N 3.19Å; A27-V32 VanDerWaalsContact O-N 3.08Å; Y30-V32 VanDerWaalsContact C-N 3.31Å; Y30-V32 PolarHBondContact O-N 2.93Å; V32-V37 HydrophobicContact CG2-CG2 3.62Å; V32-W40 HydrophobicContact CB-CH2 4.47Å; V32-W40 HydrophobicContact CB-CZ3 4.45Å; V32-W40 HydrophobicContact CG1-CH2 4.06Å; V32-W40 HydrophobicContact CG1-CZ3 4.22Å; V32-W40 HydrophobicContact CG2-CZ3 4.23Å
33S96.6Very high97.7Very high60 Ų6074.2 Ų74.242%0.4234%0.343SS..  trans-71.5144.7176.774.40000111.4K35 M36 V37S33-K35 PolarHBondContact O-N 2.93Å; S33-M36 WeakPolarHBondContact O-CB 3.4Å; S33-M36 PolarHBondContact O-N 3.42Å; S33-M36 WeakPolarHBondContact OG-CG 3.19Å; S33-M36 PolarHBondContact OG-N 3.27Å; S33-M36 PolarHBondContact OG-SD 3.02Å; S33-M36 VanDerWaalsContact OG-SD 3.37Å; S33-V37 PolarHBondContact O-N 3.27Å
34R97.6Very high97.6Very high157 Ų15773.8 Ų73.859%0.59234%0.34SS*.Hα-helixtrans-54.5-37.2175.9-177.7-177.7175.8-166.20.5112.3N23 A27 M36 V37 I38N23-R34 HydrophobicContact CB-CG 4.37Å; A27-R34 HydrophobicContact CB-CB 4.21Å; R34-M36 VanDerWaalsContact C-N 3.33Å; R34-M36 PolarHBondContact O-N 3.15Å; R34-V37 PolarHBondContact O-N 2.59Å; R34-I38 HydrophobicContact CG-CD1 4.09Å; R34-I38 WeakPolarHBondContact O-CG1 3.37Å; R34-I38 PolarHBondContact O-N 3.46Å
35K97.9Very high97.6Very high135 Ų13577.4 Ų77.459%0.58735%0.351SS*.Hα-helixtrans-58.7-43.4176.1177167.8170.444.80111.8S33 V37 I38 D39S33-K35 PolarHBondContact O-N 2.93Å; K35-V37 VanDerWaalsContact C-N 3.33Å; K35-V37 PolarHBondContact O-N 3.42Å; K35-I38 PolarHBondContact O-N 3.28Å; K35-D39 WeakPolarHBondContact CG-OD2 3.3Å; K35-D39 IonicContact NZ-OD1 3.19Å; K35-D39 IonicContact NZ-OD2 2.74Å; K35-D39 PolarHBondContact NZ-OD2 2.88Å; K35-D39 WeakPolarHBondContact O-CB 3.32Å; K35-D39 VanDerWaalsContact O-CG 3.29Å; K35-D39 PolarHBondContact O-N 3.38Å
36M97.6Very high97.4Very high56 Ų5673.4 Ų73.428%0.27634%0.336SS..Hα-helixtrans-62.4-41.6177.9-68.4166.57400111.8Y6 S33 R34 I38 D39 W40Y6-M36 HydrophobicContact CD2-CE 3.57Å; Y6-M36 HydrophobicContact CE2-CE 3.28Å; S33-M36 WeakPolarHBondContact O-CB 3.4Å; S33-M36 PolarHBondContact O-N 3.42Å; S33-M36 WeakPolarHBondContact OG-CG 3.19Å; S33-M36 PolarHBondContact OG-N 3.27Å; S33-M36 PolarHBondContact OG-SD 3.02Å; S33-M36 VanDerWaalsContact OG-SD 3.37Å; R34-M36 VanDerWaalsContact C-N 3.33Å; R34-M36 PolarHBondContact O-N 3.15Å; M36-I38 VanDerWaalsContact C-N 3.35Å; M36-I38 PolarHBondContact O-N 3.19Å; M36-D39 PolarHBondContact O-N 3.43Å; M36-W40 HydrophobicContact CB-CD2 4.43Å; M36-W40 HydrophobicContact CB-CH2 4.21Å; M36-W40 HydrophobicContact CB-CZ2 4.05Å; M36-W40 HydrophobicContact CB-CZ3 4.44Å; M36-W40 HydrophobicContact CE-CH2 3.6Å; M36-W40 HydrophobicContact CE-CZ2 3.31Å; M36-W40 WeakPolarHBondContact O-CB 3.29Å; M36-W40 VanDerWaalsContact O-CD2 3.28Å; M36-W40 PolarHBondContact O-N 3.36Å
37V98.5Very high97.3Very high0 Ų073.6 Ų73.60%034%0.337CS..Hα-helixtrans-60.9-45.2176.4-176.30000111.1V14 A18 N23 A26 A27 V32 S33 R34 K35 W40 R41V14-V37 HydrophobicContact CG1-CB 4.48Å; V14-V37 HydrophobicContact CG1-CG1 4.19Å; V14-V37 HydrophobicContact CG1-CG2 3.8Å; A18-V37 HydrophobicContact CB-CG1 3.54Å; N23-V37 HydrophobicContact CB-CG1 4.12Å; A26-V37 HydrophobicContact CB-CG1 4.27Å; A27-V37 HydrophobicContact CB-CG2 3.96Å; V32-V37 HydrophobicContact CG2-CG2 3.62Å; S33-V37 PolarHBondContact O-N 3.27Å; R34-V37 PolarHBondContact O-N 2.59Å; K35-V37 VanDerWaalsContact C-N 3.33Å; K35-V37 PolarHBondContact O-N 3.42Å; V37-W40 PolarHBondContact O-N 2.83Å; V37-R41 WeakPolarHBondContact O-CB 3.19Å; V37-R41 PolarHBondContact O-N 2.89Å
38I98.5Very high97.2Very high47 Ų4778.1 Ų78.124%0.24136%0.355CS..Hα-helixtrans-60.5-48.2176.8-67.6166.5000110.5N23 R34 K35 M36 W40 R41 R42N23-I38 HydrophobicContact CB-CG1 4.27Å; R34-I38 HydrophobicContact CG-CD1 4.09Å; R34-I38 WeakPolarHBondContact O-CG1 3.37Å; R34-I38 PolarHBondContact O-N 3.46Å; K35-I38 PolarHBondContact O-N 3.28Å; M36-I38 VanDerWaalsContact C-N 3.35Å; M36-I38 PolarHBondContact O-N 3.19Å; I38-W40 PolarHBondContact O-N 3.06Å; I38-R41 PolarHBondContact O-N 2.9Å; I38-R42 WeakPolarHBondContact O-CG 3.43Å; I38-R42 PolarHBondContact O-N 2.89Å
39D98.2Very high97Very high45 Ų4576.4 Ų76.424%0.24135%0.353CS..Hα-helixtrans-65.8-39.3-178-68.8-21.1000111.4K35 M36 R42 Q43K35-D39 WeakPolarHBondContact CG-OD2 3.3Å; K35-D39 IonicContact NZ-OD1 3.19Å; K35-D39 IonicContact NZ-OD2 2.74Å; K35-D39 PolarHBondContact NZ-OD2 2.88Å; K35-D39 WeakPolarHBondContact O-CB 3.32Å; K35-D39 VanDerWaalsContact O-CG 3.29Å; K35-D39 PolarHBondContact O-N 3.38Å; M36-D39 PolarHBondContact O-N 3.43Å; D39-R42 PolarHBondContact O-N 3.46Å; D39-Q43 WeakPolarHBondContact O-CB 3.21Å; D39-Q43 WeakPolarHBondContact O-CG 3.31Å; D39-Q43 PolarHBondContact O-N 2.88Å; D39-Q43 VanDerWaalsContact O-N 3.14Å
40W98.1Very high96.8Very high21 Ų2170.9 Ų70.98%0.0833%0.33CS..Hα-helixtrans-67.5-38.4175.1-64.3-21.3000112.6Y6 F10 K11 V14 V15 V32 M36 V37 I38 Q43 E44 L47Y6-W40 HydrophobicContact CD1-CH2 4.37Å; Y6-W40 AromaticContact CD2-CH2 3.76Å; Y6-W40 HydrophobicContact CD2-CH2 3.76Å; Y6-W40 AromaticContact CD2-CZ2 3.78Å; Y6-W40 HydrophobicContact CD2-CZ2 3.78Å; Y6-W40 HydrophobicContact CE2-CH2 4.26Å; Y6-W40 AromaticContact CG-CH2 3.82Å; Y6-W40 HydrophobicContact CG-CH2 3.82Å; Y6-W40 HydrophobicContact CG-CZ2 4.08Å; F10-W40 HydrophobicContact CE1-CH2 4.28Å; F10-W40 HydrophobicContact CE1-CZ3 4.27Å; K11-W40 HydrophobicContact CB-CD2 3.93Å; K11-W40 HydrophobicContact CB-CE3 4.11Å; K11-W40 HydrophobicContact CB-CG 4.12Å; K11-W40 HydrophobicContact CD-CD2 4.11Å; K11-W40 HydrophobicContact CD-CG 4.21Å; K11-W40 HydrophobicContact CD-CZ2 4.14Å; K11-W40 HydrophobicContact CG-CD2 3.6Å; K11-W40 VanDerWaalsContact CG-CE2 3.48Å; K11-W40 HydrophobicContact CG-CE3 3.94Å; K11-W40 HydrophobicContact CG-CG 4.08Å; K11-W40 HydrophobicContact CG-CH2 4.02Å; K11-W40 HydrophobicContact CG-CZ2 3.7Å; K11-W40 HydrophobicContact CG-CZ3 4.14Å; V14-W40 HydrophobicContact CB-CE3 4.2Å; V14-W40 HydrophobicContact CB-CZ3 4.19Å; V14-W40 HydrophobicContact CG1-CE3 4.04Å; V14-W40 HydrophobicContact CG1-CZ3 4.05Å; V14-W40 HydrophobicContact CG2-CZ3 4.12Å; V15-W40 HydrophobicContact CG2-CB 3.7Å; V32-W40 HydrophobicContact CB-CH2 4.47Å; V32-W40 HydrophobicContact CB-CZ3 4.45Å; V32-W40 HydrophobicContact CG1-CH2 4.06Å; V32-W40 HydrophobicContact CG1-CZ3 4.22Å; V32-W40 HydrophobicContact CG2-CZ3 4.23Å; M36-W40 HydrophobicContact CB-CD2 4.43Å; M36-W40 HydrophobicContact CB-CH2 4.21Å; M36-W40 HydrophobicContact CB-CZ2 4.05Å; M36-W40 HydrophobicContact CB-CZ3 4.44Å; M36-W40 HydrophobicContact CE-CH2 3.6Å; M36-W40 HydrophobicContact CE-CZ2 3.31Å; M36-W40 WeakPolarHBondContact O-CB 3.29Å; M36-W40 VanDerWaalsContact O-CD2 3.28Å; M36-W40 PolarHBondContact O-N 3.36Å; V37-W40 PolarHBondContact O-N 2.83Å; I38-W40 PolarHBondContact O-N 3.06Å; W40-Q43 CarbonylContact O-C 3.56Å; W40-Q43 VanDerWaalsContact O-C 3.31Å; W40-Q43 PolarHBondContact O-N 3.2Å; W40-Q43 VanDerWaalsContact O-N 3.11Å; W40-E44 PolarHBondContact O-N 3.44Å; W40-L47 HydrophobicContact CB-CD1 3.94Å; W40-L47 HydrophobicContact CG-CD1 4.36Å
41R97.4Very high96.5Very high103 Ų10372.8 Ų72.839%0.38935%0.348SS..Hα-helixtrans-65.3-39.4175.9-172.7172.9172.4171.70.6111.6V15 A18 N23 V37 I38 Q43 E44V15-R41 HydrophobicContact CG1-CB 4.41Å; V15-R41 HydrophobicContact CG1-CG 4.35Å; V15-R41 HydrophobicContact CG2-CB 4.3Å; A18-R41 PolarHBondContact O-NH1 2.93Å; N23-R41 PolarHBondContact OD1-NH1 3.04Å; V37-R41 WeakPolarHBondContact O-CB 3.19Å; V37-R41 PolarHBondContact O-N 2.89Å; I38-R41 PolarHBondContact O-N 2.9Å; R41-Q43 PolarHBondContact O-N 3.26Å; R41-E44 WeakPolarHBondContact O-CB 3.37Å; R41-E44 PolarHBondContact O-N 3.45Å
42R97.8Very high96.5Very high203 Ų20377.3 Ų77.377%0.76635%0.354SS*.Hα-helixtrans-63.1-28.5172.4-71.5174.4178-169-2.4112.8I38 D39I38-R42 WeakPolarHBondContact O-CG 3.43Å; I38-R42 PolarHBondContact O-N 2.89Å; D39-R42 PolarHBondContact O-N 3.46Å
43Q95.6Very high96.4Very high87 Ų8785.5 Ų85.541%0.40739%0.389SS..THydrogen-bonded Turntrans-104.815.9-177.2-64.2178.76.100113.2D39 W40 R41 E45 A46 L47D39-Q43 WeakPolarHBondContact O-CB 3.21Å; D39-Q43 WeakPolarHBondContact O-CG 3.31Å; D39-Q43 PolarHBondContact O-N 2.88Å; D39-Q43 VanDerWaalsContact O-N 3.14Å; W40-Q43 CarbonylContact O-C 3.56Å; W40-Q43 VanDerWaalsContact O-C 3.31Å; W40-Q43 PolarHBondContact O-N 3.2Å; W40-Q43 VanDerWaalsContact O-N 3.11Å; R41-Q43 PolarHBondContact O-N 3.26Å; Q43-E45 VanDerWaalsContact C-N 3.34Å; Q43-E45 PolarHBondContact O-N 2.71Å; Q43-A46 CarbonylContact O-C 3.31Å; Q43-A46 WeakPolarHBondContact O-CA 3.33Å; Q43-A46 WeakPolarHBondContact O-CB 3.47Å; Q43-A46 PolarHBondContact O-N 2.91Å; Q43-L47 WeakPolarHBondContact O-CG 3.32Å; Q43-L47 PolarHBondContact O-N 3.43Å
44E96.9Very high96.2Very high26 Ų2685.6 Ų85.612%0.12138%0.383CS..Hα-helixtrans-55.5-46.6-172.6-178-173.8167.500112.5L12 V15 K19 W40 R41 A46 L47 K48L12-E44 HydrophobicContact CD2-CG 4.15Å; V15-E44 HydrophobicContact CG1-CB 4.32Å; V15-E44 HydrophobicContact CG1-CG 3.99Å; K19-E44 WeakPolarHBondContact CE-OE2 3.43Å; K19-E44 IonicContact NZ-OE1 2.87Å; K19-E44 PolarHBondContact NZ-OE1 3.26Å; K19-E44 IonicContact NZ-OE2 3.64Å; K19-E44 PolarHBondContact NZ-OE2 2.85Å; W40-E44 PolarHBondContact O-N 3.44Å; R41-E44 WeakPolarHBondContact O-CB 3.37Å; R41-E44 PolarHBondContact O-N 3.45Å; E44-A46 VanDerWaalsContact C-N 3.26Å; E44-A46 PolarHBondContact O-N 3.04Å; E44-L47 WeakPolarHBondContact O-CB 3.4Å; E44-L47 PolarHBondContact O-N 2.78Å; E44-K48 HydrophobicContact CG-CD 4.49Å; E44-K48 WeakPolarHBondContact O-CG 3.33Å; E44-K48 PolarHBondContact O-N 2.96Å; E44-K48 VanDerWaalsContact OE1-CE 3.24Å; E44-K48 WeakPolarHBondContact OE1-CE 3.45Å; E44-K48 IonicContact OE1-NZ 2.93Å; E44-K48 PolarHBondContact OE1-NZ 3.47Å
45E96.7Very high96.1Very high110 Ų11085 Ų8551%0.51438%0.38SS..Hα-helixtrans-63.6-32.9178.6-63.5-50.7122.200112.5Q43 K48 K49Q43-E45 VanDerWaalsContact C-N 3.34Å; Q43-E45 PolarHBondContact O-N 2.71Å; E45-K48 IonicContact OE1-NZ 2.62Å; E45-K48 PolarHBondContact OE1-NZ 3.11Å; E45-K49 WeakPolarHBondContact O-CG 3.4Å; E45-K49 PolarHBondContact O-N 3.4Å
46A95Very high95.7Very high24 Ų2480.4 Ų80.420%0.19837%0.367CS..Hα-helixtrans-72.3-36.2173.100000111.8Q43 E44 K49 M50Q43-A46 CarbonylContact O-C 3.31Å; Q43-A46 WeakPolarHBondContact O-CA 3.33Å; Q43-A46 WeakPolarHBondContact O-CB 3.47Å; Q43-A46 PolarHBondContact O-N 2.91Å; E44-A46 VanDerWaalsContact C-N 3.26Å; E44-A46 PolarHBondContact O-N 3.04Å; A46-K49 PolarHBondContact O-N 2.94Å; A46-M50 WeakPolarHBondContact O-CG 3.03Å; A46-M50 PolarHBondContact O-N 3.12Å
47L96Very high95.2Very high3 Ų385.6 Ų85.62%0.01638%0.384CS..Hα-helixtrans-67.3-38.2176.2-69.8171.3000111.8K11 L12 W40 Q43 E44 K49 M50K11-L47 HydrophobicContact CB-CD1 3.86Å; K11-L47 HydrophobicContact CB-CD2 4.33Å; K11-L47 HydrophobicContact CD-CD1 4.4Å; K11-L47 HydrophobicContact CD-CD2 3.71Å; L12-L47 HydrophobicContact CD2-CB 3.82Å; L12-L47 HydrophobicContact CG-CB 4.05Å; W40-L47 HydrophobicContact CB-CD1 3.94Å; W40-L47 HydrophobicContact CG-CD1 4.36Å; Q43-L47 WeakPolarHBondContact O-CG 3.32Å; Q43-L47 PolarHBondContact O-N 3.43Å; E44-L47 WeakPolarHBondContact O-CB 3.4Å; E44-L47 PolarHBondContact O-N 2.78Å; L47-K49 VanDerWaalsContact C-N 3.26Å; L47-K49 PolarHBondContact O-N 3.45Å; L47-M50 HydrophobicContact CD2-SD 3.96Å; L47-M50 WeakPolarHBondContact O-CB 3.4Å; L47-M50 PolarHBondContact O-N 3.04Å; L47-M50 VanDerWaalsContact O-N 3.11Å
48K96.2Very high94.5Very high105 Ų10595.4 Ų95.446%0.45742%0.421SS..Hα-helixtrans-61.4-33.3174.6-72.8174.8-176.5159.60112.9L12 E44 E45 M50L12-K48 HydrophobicContact CD1-CG 4.49Å; L12-K48 HydrophobicContact CD2-CG 3.89Å; E44-K48 HydrophobicContact CG-CD 4.49Å; E44-K48 WeakPolarHBondContact O-CG 3.33Å; E44-K48 PolarHBondContact O-N 2.96Å; E44-K48 VanDerWaalsContact OE1-CE 3.24Å; E44-K48 WeakPolarHBondContact OE1-CE 3.45Å; E44-K48 IonicContact OE1-NZ 2.93Å; E44-K48 PolarHBondContact OE1-NZ 3.47Å; E45-K48 IonicContact OE1-NZ 2.62Å; E45-K48 PolarHBondContact OE1-NZ 3.11Å; K48-M50 VanDerWaalsContact C-N 3.31Å
49K93.9Very high93.4Very high181 Ų18197.1 Ų97.179%0.78744%0.437SS*.THydrogen-bonded Turntrans-78.9-11.6176.9-67174.6-175.3-177.30113.4E45 A46 L47E45-K49 WeakPolarHBondContact O-CG 3.4Å; E45-K49 PolarHBondContact O-N 3.4Å; A46-K49 PolarHBondContact O-N 2.94Å; L47-K49 VanDerWaalsContact C-N 3.26Å; L47-K49 PolarHBondContact O-N 3.45Å
50M92.2Very high92.5Very high20 Ų2098.1 Ų98.110%0.09946%0.458CS..SBendtrans-85.1148178.7-71.8174.76900111.4A8 A46 L47 K48 K52 Q54 R57A8-M50 HydrophobicContact CB-CB 4Å; A46-M50 WeakPolarHBondContact O-CG 3.03Å; A46-M50 PolarHBondContact O-N 3.12Å; L47-M50 HydrophobicContact CD2-SD 3.96Å; L47-M50 WeakPolarHBondContact O-CB 3.4Å; L47-M50 PolarHBondContact O-N 3.04Å; L47-M50 VanDerWaalsContact O-N 3.11Å; K48-M50 VanDerWaalsContact C-N 3.31Å; M50-K52 PolarHBondContact O-N 2.89Å; M50-Q54 HydrophobicContact CE-CB 3.91Å; M50-Q54 HydrophobicContact CE-CG 3.71Å; M50-R57 HydrophobicContact CE-CG 3.78Å; M50-R57 HydrophobicContact CG-CG 4.13Å; M50-R57 HydrophobicContact SD-CG 3.23Å; M50-R57 WeakPolarHBondContact SD-CG 3.49Å
51P93.4Very high92Very high84 Ų84103.4 Ų103.455%0.54549%0.486SS..  trans-56136.1165.3-21.632.5000111K53 Q54P51-K53 VanDerWaalsContact C-N 3.28Å; P51-K53 PolarHBondContact O-N 3.36Å; P51-K53 VanDerWaalsContact O-N 3.13Å; P51-Q54 HydrophobicContact CB-CB 4.15Å; P51-Q54 VanDerWaalsContact CD-OE1 3.26Å; P51-Q54 HydrophobicContact CG-CB 4.4Å; P51-Q54 WeakPolarHBondContact O-CB 3.38Å; P51-Q54 PolarHBondContact O-N 2.92Å
52K94.8Very high91.7Very high143 Ų14399.3 Ų99.362%0.62247%0.474SS*.THydrogen-bonded Turntrans-48.6-45.5-175.2-71.1-170.1173.9-160.70114D7 A8 D9 M50 Q54D7-K52 WeakPolarHBondContact CB-O 3.5Å; A8-K52 PolarHBondContact N-O 2.93Å; D9-K52 HydrophobicContact CB-CB 4.07Å; D9-K52 PolarHBondContact N-O 2.74Å; D9-K52 VanDerWaalsContact N-O 3.09Å; D9-K52 WeakPolarHBondContact OD1-CD 3.13Å; D9-K52 IonicContact OD1-NZ 3.19Å; M50-K52 PolarHBondContact O-N 2.89Å; K52-Q54 VanDerWaalsContact C-N 3.29Å; K52-Q54 PolarHBondContact O-N 3.32Å
53K95.2Very high91.5Very high186 Ų18696.5 Ų96.581%0.80947%0.469SS*.THydrogen-bonded Turntrans-79.2-4.9-179.3-63.1-175.9177.9179.10113.9P51P51-K53 VanDerWaalsContact C-N 3.28Å; P51-K53 PolarHBondContact O-N 3.36Å; P51-K53 VanDerWaalsContact O-N 3.13Å
54Q93.5Very high91.6Very high62 Ų6294.3 Ų94.329%0.2946%0.457SS..  trans-78.5125.2-178-167.3-179.335.900111A8 M50 P51 K52 A56A8-Q54 PolarHBondContact N-O 3.11Å; M50-Q54 HydrophobicContact CE-CB 3.91Å; M50-Q54 HydrophobicContact CE-CG 3.71Å; P51-Q54 HydrophobicContact CB-CB 4.15Å; P51-Q54 VanDerWaalsContact CD-OE1 3.26Å; P51-Q54 HydrophobicContact CG-CB 4.4Å; P51-Q54 WeakPolarHBondContact O-CB 3.38Å; P51-Q54 PolarHBondContact O-N 2.92Å; K52-Q54 VanDerWaalsContact C-N 3.29Å; K52-Q54 PolarHBondContact O-N 3.32Å; Q54-A56 VanDerWaalsContact CD-O 3.31Å; Q54-A56 VanDerWaalsContact CG-O 3.31Å; Q54-A56 WeakPolarHBondContact CG-O 3.42Å; Q54-A56 PolarHBondContact NE2-O 2.88Å
55R94.6Very high91.5Very high144 Ų14495.2 Ų95.254%0.54347%0.466SS..  trans-91-25.1-175.2-59.5-173.2174.4174.31.6115S5 Y6 D7 K11S5-R55 WeakPolarHBondContact OG-CD 3.25Å; S5-R55 PolarHBondContact OG-NH1 3.03Å; Y6-R55 VanDerWaalsContact O-CA 3.3Å; Y6-R55 WeakPolarHBondContact O-CA 3.27Å; Y6-R55 WeakPolarHBondContact O-CB 3.36Å; D7-R55 HydrophobicContact CB-CG 3.95Å; K11-R55 PolarHBondContact NZ-O 3.33Å
56A89.9Confident91.6Very high38 Ų3894.3 Ų94.331%0.31446%0.461SS..SBendtrans-142.3148.5-178.400000110.5Q54 R58Q54-A56 VanDerWaalsContact CD-O 3.31Å; Q54-A56 VanDerWaalsContact CG-O 3.31Å; Q54-A56 WeakPolarHBondContact CG-O 3.42Å; Q54-A56 PolarHBondContact NE2-O 2.88Å; A56-R58 HydrophobicContact CB-CG 4.09Å; A56-R58 PolarHBondContact O-N 3.33Å
57R85.9Confident91.7Very high166 Ų16693.1 Ų93.163%0.62645%0.452SS*.  trans-77.849.4176.1-66.1174.963.7-160.5-1.4111.5M50 S59M50-R57 HydrophobicContact CE-CG 3.78Å; M50-R57 HydrophobicContact CG-CG 4.13Å; M50-R57 HydrophobicContact SD-CG 3.23Å; M50-R57 WeakPolarHBondContact SD-CG 3.49Å; R57-S59 PolarHBondContact O-N 3.42Å
58R84.1Confident91.8Very high206 Ų20693 Ų9378%0.77745%0.451SS*.  trans-78.1120174.4-66.4-179.2-170.2151.41107.6A56A56-R58 HydrophobicContact CB-CG 4.09Å; A56-R58 PolarHBondContact O-N 3.33Å
59S76.2Confident91.9Very high83 Ų8392 Ų9258%0.5845%0.451SS*.  trans-64.4136170.4-177.60000109.9R57 I61R57-S59 PolarHBondContact O-N 3.42Å; S59-I61 VanDerWaalsContact C-N 3.26Å; S59-I61 WeakPolarHBondContact OG-CB 3.35Å; S59-I61 VanDerWaalsContact OG-CD1 3.31Å; S59-I61 WeakPolarHBondContact OG-CD1 3.31Å; S59-I61 WeakPolarHBondContact OG-CG1 3.43Å; S59-I61 PolarHBondContact OG-N 3.47Å
60G79.1Confident92.1Very high65 Ų6585.3 Ų85.367%0.6743%0.427SS*.  trans-872.7167.600000113R121G60-R121 VanDerWaalsContact O-CD 3.25Å; G60-R121 WeakPolarHBondContact O-CD 3.49Å
61I87.7Confident92.3Very high133 Ų13384.6 Ų84.668%0.68242%0.423SS*.  trans-73.6145.3-173.8-57.3167.8000110S59S59-I61 VanDerWaalsContact C-N 3.26Å; S59-I61 WeakPolarHBondContact OG-CB 3.35Å; S59-I61 VanDerWaalsContact OG-CD1 3.31Å; S59-I61 WeakPolarHBondContact OG-CD1 3.31Å; S59-I61 WeakPolarHBondContact OG-CG1 3.43Å; S59-I61 PolarHBondContact OG-N 3.47Å
62A91.8Very high92.6Very high16 Ų1680.6 Ų80.613%0.13240%0.398CS..  trans-72.5134.8173.100000110.1W64 P65 E68A62-W64 VanDerWaalsContact C-N 3.34Å; A62-P65 HydrophobicContact CB-CB 4.25Å; A62-E68 VanDerWaalsContact CB-CD 3.42Å; A62-E68 HydrophobicContact CB-CG 4.35Å; A62-E68 VanDerWaalsContact CB-OE1 3.27Å; A62-E68 WeakPolarHBondContact CB-OE1 3.41Å
63H93.1Very high92.7Very high144 Ų14479.1 Ų79.167%0.66739%0.393SS*.SBendtrans-74.1-30.6175.7-167.937.4000112.1P65H63-P65 VanDerWaalsContact C-CD 3.48Å; H63-P65 WeakPolarHBondContact O-CD 3.17Å
64W96.6Very high92.8Very high41 Ų4172.3 Ų72.316%0.15536%0.362CS..SBendtrans-12172.8175.8-54.3-78.3000109.2A62 E66 L67 E68 Y106 F108 W114A62-W64 VanDerWaalsContact C-N 3.34Å; W64-E66 VanDerWaalsContact C-N 3.35Å; W64-E66 PolarHBondContact O-N 3.48Å; W64-L67 HydrophobicContact CB-CB 3.9Å; W64-L67 HydrophobicContact CB-CD1 4.5Å; W64-L67 PolarHBondContact O-N 3.42Å; W64-E68 WeakPolarHBondContact O-CG 3.11Å; W64-E68 PolarHBondContact O-N 2.95Å; W64-Y106 PolarHBondContact NE1-O 2.93Å; W64-F108 HydrophobicContact CD2-CB 4.35Å; W64-F108 AromaticContact CD2-CD2 3.73Å; W64-F108 HydrophobicContact CD2-CD2 3.73Å; W64-F108 HydrophobicContact CD2-CG 4.48Å; W64-F108 AromaticContact CE3-CD2 3.55Å; W64-F108 HydrophobicContact CE3-CD2 3.55Å; W64-F108 HydrophobicContact CE3-CE2 4.09Å; W64-F108 HydrophobicContact CG-CD2 4.37Å; W64-F108 HydrophobicContact CH2-CD2 4.06Å; W64-F108 HydrophobicContact CZ2-CB 4.09Å; W64-F108 HydrophobicContact CZ2-CD2 4.23Å; W64-F108 AromaticContact CZ3-CD2 3.73Å; W64-F108 HydrophobicContact CZ3-CD2 3.73Å; W64-F108 HydrophobicContact CZ3-CE2 4.27Å; W64-W114 AromaticContact CZ3-CD1 3.99Å
65P95.9Very high93Very high46 Ų4669.3 Ų69.330%0.29935%0.348SS..Hα-helixtrans-64.4-36.4-171.822.5-28.1000113A62 H63 E68 N69A62-P65 HydrophobicContact CB-CB 4.25Å; H63-P65 VanDerWaalsContact C-CD 3.48Å; H63-P65 WeakPolarHBondContact O-CD 3.17Å; P65-E68 PolarHBondContact O-N 2.99Å; P65-N69 WeakPolarHBondContact O-CB 3.45Å; P65-N69 PolarHBondContact O-N 3.09Å; P65-N69 PolarHBondContact O-ND2 3.27Å; P65-N69 PolarHBondContact O-OD1 2.8Å
66E97.7Very high93Very high90 Ų9068.3 Ų68.342%0.42134%0.344SS..Hα-helixtrans-64.4-47.8178.4-63.572.8-159.100111W64 E68 N69 S70 W97 L104W64-E66 VanDerWaalsContact C-N 3.35Å; W64-E66 PolarHBondContact O-N 3.48Å; E66-E68 VanDerWaalsContact C-N 3.34Å; E66-E68 PolarHBondContact O-N 3.14Å; E66-N69 WeakPolarHBondContact O-CB 3.39Å; E66-N69 PolarHBondContact O-N 3.22Å; E66-N69 VanDerWaalsContact O-N 3.15Å; E66-S70 PolarHBondContact O-N 3.43Å; E66-W97 HydrophobicContact CB-CH2 4.03Å; E66-W97 HydrophobicContact CB-CZ2 4.28Å; E66-L104 HydrophobicContact CB-CD1 4.31Å; E66-L104 HydrophobicContact CG-CD1 4.45Å
67L98.1Very high93.3Very high0 Ų070.7 Ų70.70%035%0.349CS..Hα-helixtrans-56.3-50.1173.7-172.2160.6000110.4W64 N69 S70 L71 A94 W97 A98 F108 W114W64-L67 HydrophobicContact CB-CB 3.9Å; W64-L67 HydrophobicContact CB-CD1 4.5Å; W64-L67 PolarHBondContact O-N 3.42Å; L67-N69 VanDerWaalsContact C-N 3.28Å; L67-N69 PolarHBondContact O-N 2.91Å; L67-S70 PolarHBondContact O-N 3.32Å; L67-L71 VanDerWaalsContact O-CB 3.32Å; L67-L71 WeakPolarHBondContact O-CB 3.2Å; L67-L71 PolarHBondContact O-N 3.25Å; L67-A94 HydrophobicContact CD2-CB 4.14Å; L67-W97 HydrophobicContact CB-CD2 4.3Å; L67-W97 HydrophobicContact CB-CE3 3.59Å; L67-W97 HydrophobicContact CB-CH2 3.93Å; L67-W97 HydrophobicContact CB-CZ3 3.39Å; L67-W97 HydrophobicContact CD1-CE3 3.65Å; L67-W97 HydrophobicContact CD1-CZ3 3.94Å; L67-W97 HydrophobicContact CG-CD2 4.11Å; L67-W97 HydrophobicContact CG-CE3 3.43Å; L67-W97 VanDerWaalsContact CG-CE3 3.43Å; L67-W97 HydrophobicContact CG-CZ3 3.78Å; L67-A98 HydrophobicContact CD1-CB 4.14Å; L67-F108 HydrophobicContact CD1-CD1 3.76Å; L67-F108 HydrophobicContact CD1-CD2 3.99Å; L67-F108 HydrophobicContact CD1-CE1 3.79Å; L67-F108 HydrophobicContact CD1-CE2 4.04Å; L67-F108 HydrophobicContact CD1-CG 3.85Å; L67-F108 HydrophobicContact CD1-CZ 3.93Å; L67-F108 HydrophobicContact CD2-CE2 4.42Å; L67-F108 HydrophobicContact CD2-CZ 4.2Å; L67-W114 HydrophobicContact CD2-CH2 3.82Å; L67-W114 HydrophobicContact CD2-CZ2 3.56Å
68E97.7Very high93.7Very high1 Ų164.8 Ų64.81%0.00533%0.329CS..Hα-helixtrans-65.2-30.9179.7-72.2-170.5-145.800112.7A62 W64 P65 E66 A72 W114 F118 R121 K122A62-E68 VanDerWaalsContact CB-CD 3.42Å; A62-E68 HydrophobicContact CB-CG 4.35Å; A62-E68 VanDerWaalsContact CB-OE1 3.27Å; A62-E68 WeakPolarHBondContact CB-OE1 3.41Å; W64-E68 WeakPolarHBondContact O-CG 3.11Å; W64-E68 PolarHBondContact O-N 2.95Å; P65-E68 PolarHBondContact O-N 2.99Å; E66-E68 VanDerWaalsContact C-N 3.34Å; E66-E68 PolarHBondContact O-N 3.14Å; E68-A72 WeakPolarHBondContact O-CB 3.31Å; E68-A72 PolarHBondContact O-N 2.98Å; E68-W114 HydrophobicContact CG-CZ2 4.03Å; E68-W114 PolarHBondContact OE1-NE1 3.26Å; E68-F118 HydrophobicContact CB-CD2 3.87Å; E68-F118 HydrophobicContact CB-CE2 4.19Å; E68-F118 HydrophobicContact CG-CD2 3.7Å; E68-F118 HydrophobicContact CG-CE2 4.44Å; E68-F118 HydrophobicContact CG-CG 4.5Å; E68-F118 WeakPolarHBondContact O-CE2 3.49Å; E68-R121 IonicContact OE1-CZ 2.76Å; E68-R121 IonicContact OE1-NE 2.71Å; E68-R121 IonicContact OE1-NH2 2.9Å; E68-R121 PolarHBondContact OE1-NH2 3.27Å; E68-R121 IonicContact OE2-CZ 2.58Å; E68-R121 IonicContact OE2-NE 3.86Å; E68-R121 PolarHBondContact OE2-NE 2.58Å; E68-R121 IonicContact OE2-NH2 3.52Å; E68-R121 PolarHBondContact OE2-NH2 3.45Å; E68-K122 WeakPolarHBondContact O-CE 3.4Å
69N97.8Very high94.1Very high83 Ų8357.4 Ų57.444%0.44430%0.301SS..Hα-helixtrans-68.3-52.5174.6-72.6-21.4000110.9P65 E66 L67 L71 A72 E73 K122P65-N69 WeakPolarHBondContact O-CB 3.45Å; P65-N69 PolarHBondContact O-N 3.09Å; P65-N69 PolarHBondContact O-ND2 3.27Å; P65-N69 PolarHBondContact O-OD1 2.8Å; E66-N69 WeakPolarHBondContact O-CB 3.39Å; E66-N69 PolarHBondContact O-N 3.22Å; E66-N69 VanDerWaalsContact O-N 3.15Å; L67-N69 VanDerWaalsContact C-N 3.28Å; L67-N69 PolarHBondContact O-N 2.91Å; N69-L71 VanDerWaalsContact C-N 3.34Å; N69-L71 PolarHBondContact O-N 3.08Å; N69-A72 PolarHBondContact O-N 3.47Å; N69-E73 PolarHBondContact O-N 2.86Å; N69-K122 PolarHBondContact OD1-NZ 2.91Å
70S98Very high94.8Very high40 Ų4061.2 Ų61.228%0.2831%0.309SS..Hα-helixtrans-59.3-45.2179177.40000111.5E66 L67 A72 E73 W74 W97E66-S70 PolarHBondContact O-N 3.43Å; L67-S70 PolarHBondContact O-N 3.32Å; S70-A72 PolarHBondContact O-N 2.84Å; S70-E73 WeakPolarHBondContact O-CB 3.46Å; S70-E73 PolarHBondContact O-N 3.07Å; S70-W74 PolarHBondContact O-N 2.96Å; S70-W97 VanDerWaalsContact OG-CD1 3.25Å; S70-W97 PolarHBondContact OG-NE1 3.34Å
71L98.3Very high95.4Very high5 Ų564 Ų643%0.02631%0.308CS..Hα-helixtrans-64-41177.7-176.364.2000112L67 N69 E73 W74 V75 M90 Q93 A94 W114 F118L67-L71 VanDerWaalsContact O-CB 3.32Å; L67-L71 WeakPolarHBondContact O-CB 3.2Å; L67-L71 PolarHBondContact O-N 3.25Å; N69-L71 VanDerWaalsContact C-N 3.34Å; N69-L71 PolarHBondContact O-N 3.08Å; L71-E73 VanDerWaalsContact C-N 3.29Å; L71-E73 PolarHBondContact O-N 3.42Å; L71-W74 HydrophobicContact CD1-CE3 3.82Å; L71-W74 HydrophobicContact CD1-CZ3 4.27Å; L71-W74 PolarHBondContact O-N 3.29Å; L71-V75 VanDerWaalsContact O-CG2 3.3Å; L71-V75 WeakPolarHBondContact O-CG2 3.23Å; L71-V75 PolarHBondContact O-N 3.26Å; L71-M90 HydrophobicContact CD2-CB 4.46Å; L71-Q93 HydrophobicContact CD1-CB 3.75Å; L71-Q93 HydrophobicContact CD1-CG 3.68Å; L71-A94 HydrophobicContact CD2-CB 3.98Å; L71-W114 HydrophobicContact CD2-CH2 3.58Å; L71-W114 HydrophobicContact CD2-CZ2 4.44Å; L71-W114 HydrophobicContact CD2-CZ3 4.36Å; L71-F118 HydrophobicContact CB-CE2 4.24Å; L71-F118 HydrophobicContact CB-CZ 4.04Å; L71-F118 HydrophobicContact CD2-CD1 4.05Å; L71-F118 HydrophobicContact CD2-CE1 3.57Å; L71-F118 HydrophobicContact CD2-CE2 4.08Å; L71-F118 HydrophobicContact CD2-CZ 3.59Å; L71-F118 HydrophobicContact CG-CE1 3.99Å; L71-F118 HydrophobicContact CG-CE2 4.27Å; L71-F118 HydrophobicContact CG-CZ 3.63Å
72A97.9Very high95.4Very high1 Ų160.3 Ų60.31%0.00830%0.302CS..Hα-helixtrans-64.5-36.4177.400000112.1E68 N69 S70 R76 F118 K122E68-A72 WeakPolarHBondContact O-CB 3.31Å; E68-A72 PolarHBondContact O-N 2.98Å; N69-A72 PolarHBondContact O-N 3.47Å; S70-A72 PolarHBondContact O-N 2.84Å; A72-R76 VanDerWaalsContact O-CG 3.31Å; A72-R76 WeakPolarHBondContact O-CG 3.15Å; A72-R76 PolarHBondContact O-N 2.87Å; A72-R76 VanDerWaalsContact O-N 3.13Å; A72-R76 PolarHBondContact O-NH1 3.13Å; A72-R76 VanDerWaalsContact O-NH1 3.14Å; A72-F118 HydrophobicContact CB-CE2 4.1Å; A72-F118 HydrophobicContact CB-CZ 4.26Å; A72-K122 HydrophobicContact CB-CB 4.23Å; A72-K122 HydrophobicContact CB-CD 3.98Å; A72-K122 HydrophobicContact CB-CG 3.9Å
73E98Very high95.3Very high112 Ų11262.1 Ų62.152%0.52331%0.313SS..Hα-helixtrans-64-49.8173.4-174.4173.1-171.100111.4N69 S70 L71 V75 R76 Q77N69-E73 PolarHBondContact O-N 2.86Å; S70-E73 WeakPolarHBondContact O-CB 3.46Å; S70-E73 PolarHBondContact O-N 3.07Å; L71-E73 VanDerWaalsContact C-N 3.29Å; L71-E73 PolarHBondContact O-N 3.42Å; E73-V75 VanDerWaalsContact C-N 3.33Å; E73-V75 PolarHBondContact O-N 2.88Å; E73-R76 WeakPolarHBondContact O-CA 3.45Å; E73-R76 WeakPolarHBondContact O-CB 3.42Å; E73-R76 PolarHBondContact O-N 3.42Å; E73-Q77 WeakPolarHBondContact O-CG 3.48Å; E73-Q77 PolarHBondContact O-N 3.11Å
74W97.9Very high95.1Very high42 Ų4259 Ų5916%0.15930%0.301CS..Hα-helixtrans-55.3-46.4174.617585.3000111.9S70 L71 R76 Q77 Q78 I85 D89 M90 Q93S70-W74 PolarHBondContact O-N 2.96Å; L71-W74 HydrophobicContact CD1-CE3 3.82Å; L71-W74 HydrophobicContact CD1-CZ3 4.27Å; L71-W74 PolarHBondContact O-N 3.29Å; W74-R76 VanDerWaalsContact C-N 3.26Å; W74-R76 PolarHBondContact O-N 2.83Å; W74-Q77 PolarHBondContact O-N 3.38Å; W74-Q78 HydrophobicContact CD2-CG 3.92Å; W74-Q78 HydrophobicContact CE3-CG 4.42Å; W74-Q78 HydrophobicContact CG-CG 4.38Å; W74-Q78 HydrophobicContact CH2-CG 4.34Å; W74-Q78 HydrophobicContact CZ2-CG 3.82Å; W74-Q78 VanDerWaalsContact O-CG 3.28Å; W74-Q78 WeakPolarHBondContact O-CG 3.33Å; W74-Q78 PolarHBondContact O-N 2.99Å; W74-I85 HydrophobicContact CH2-CD1 3.91Å; W74-I85 HydrophobicContact CH2-CG2 4.34Å; W74-I85 HydrophobicContact CZ2-CD1 4.42Å; W74-I85 HydrophobicContact CZ3-CD1 4.38Å; W74-I85 HydrophobicContact CZ3-CG2 3.99Å; W74-D89 HydrophobicContact CH2-CB 3.98Å; W74-M90 HydrophobicContact CZ3-CG 4.22Å; W74-Q93 HydrophobicContact CD2-CB 4.25Å; W74-Q93 HydrophobicContact CD2-CG 3.59Å; W74-Q93 HydrophobicContact CE3-CB 4.08Å; W74-Q93 HydrophobicContact CE3-CG 3.8Å; W74-Q93 HydrophobicContact CG-CG 3.93Å; W74-Q93 HydrophobicContact CH2-CB 4.01Å; W74-Q93 HydrophobicContact CH2-CG 4.39Å; W74-Q93 HydrophobicContact CZ2-CB 4.18Å; W74-Q93 HydrophobicContact CZ2-CG 4.21Å; W74-Q93 HydrophobicContact CZ3-CB 3.96Å; W74-Q93 HydrophobicContact CZ3-CG 4.2Å
75V96.7Very high94.9Very high0 Ų057.9 Ų57.90%030%0.298CS..Hα-helixtrans-59.1-37.2176.6173.40000111.8L71 E73 R79 I85 M90 L124L71-V75 VanDerWaalsContact O-CG2 3.3Å; L71-V75 WeakPolarHBondContact O-CG2 3.23Å; L71-V75 PolarHBondContact O-N 3.26Å; E73-V75 VanDerWaalsContact C-N 3.33Å; E73-V75 PolarHBondContact O-N 2.88Å; V75-R79 VanDerWaalsContact O-CG 3.23Å; V75-R79 WeakPolarHBondContact O-CG 3.34Å; V75-R79 PolarHBondContact O-N 3.37Å; V75-R79 VanDerWaalsContact O-N 3.12Å; V75-I85 HydrophobicContact CG2-CG2 4.37Å; V75-M90 HydrophobicContact CG2-CG 3.74Å; V75-M90 HydrophobicContact CG2-SD 3.8Å; V75-L124 HydrophobicContact CB-CD1 4.28Å; V75-L124 HydrophobicContact CG1-CD1 4.05Å; V75-L124 HydrophobicContact CG1-CD2 4.01Å; V75-L124 HydrophobicContact CG2-CD1 4.34Å
76R95.1Very high94.7Very high123 Ų12363.8 Ų63.846%0.46431%0.314SS..Hα-helixtrans-68.6-44.3177.5-72.3177.8-165.9102.3-7111.5A72 E73 W74 R79 Q80A72-R76 VanDerWaalsContact O-CG 3.31Å; A72-R76 WeakPolarHBondContact O-CG 3.15Å; A72-R76 PolarHBondContact O-N 2.87Å; A72-R76 VanDerWaalsContact O-N 3.13Å; A72-R76 PolarHBondContact O-NH1 3.13Å; A72-R76 VanDerWaalsContact O-NH1 3.14Å; E73-R76 WeakPolarHBondContact O-CA 3.45Å; E73-R76 WeakPolarHBondContact O-CB 3.42Å; E73-R76 PolarHBondContact O-N 3.42Å; W74-R76 VanDerWaalsContact C-N 3.26Å; W74-R76 PolarHBondContact O-N 2.83Å; R76-R79 WeakPolarHBondContact O-CB 3.44Å; R76-R79 PolarHBondContact O-N 2.88Å; R76-R79 VanDerWaalsContact O-N 3.17Å; R76-Q80 WeakPolarHBondContact O-CG 3.3Å; R76-Q80 PolarHBondContact O-N 3.4Å
77Q96.1Very high94.6Very high87 Ų8761.6 Ų61.641%0.40730%0.304SS..Hα-helixtrans-59.5-48176.5-68.1170.7-2.800111E73 W74 R79 Q80 I81E73-Q77 WeakPolarHBondContact O-CG 3.48Å; E73-Q77 PolarHBondContact O-N 3.11Å; W74-Q77 PolarHBondContact O-N 3.38Å; Q77-R79 PolarHBondContact O-N 3.05Å; Q77-Q80 WeakPolarHBondContact O-CB 3.48Å; Q77-Q80 PolarHBondContact O-N 3.41Å; Q77-I81 WeakPolarHBondContact O-CG1 3.24Å; Q77-I81 PolarHBondContact O-N 3.09Å; Q77-I81 VanDerWaalsContact O-N 3.12Å
78Q94.3Very high94.4Very high43 Ų4363.9 Ų63.920%0.20132%0.323CS..Hα-helixtrans-58.7-37.3176.5-67.1-57.9-40.700112.4W74 I81 G82 C83 I85W74-Q78 HydrophobicContact CD2-CG 3.92Å; W74-Q78 HydrophobicContact CE3-CG 4.42Å; W74-Q78 HydrophobicContact CG-CG 4.38Å; W74-Q78 HydrophobicContact CH2-CG 4.34Å; W74-Q78 HydrophobicContact CZ2-CG 3.82Å; W74-Q78 VanDerWaalsContact O-CG 3.28Å; W74-Q78 WeakPolarHBondContact O-CG 3.33Å; W74-Q78 PolarHBondContact O-N 2.99Å; Q78-I81 PolarHBondContact O-N 3.06Å; Q78-G82 PolarHBondContact O-N 3.32Å; Q78-C83 HydrophobicContact CB-CB 4.26Å; Q78-C83 VanDerWaalsContact O-CB 3.32Å; Q78-C83 WeakPolarHBondContact O-CB 3.44Å; Q78-C83 PolarHBondContact O-N 3.42Å; Q78-I85 HydrophobicContact CB-CD1 3.6Å; Q78-I85 HydrophobicContact CB-CG1 3.55Å; Q78-I85 HydrophobicContact CG-CD1 3.81Å; Q78-I85 HydrophobicContact CG-CG1 4.19Å
79R91.2Very high94.3Very high51 Ų5166.3 Ų66.319%0.19234%0.336CS..Hα-helixtrans-71.1-29.4176.2-74.6172.1-177.8-157.3-2.5113.7V75 R76 Q77 G82 V125V75-R79 VanDerWaalsContact O-CG 3.23Å; V75-R79 WeakPolarHBondContact O-CG 3.34Å; V75-R79 PolarHBondContact O-N 3.37Å; V75-R79 VanDerWaalsContact O-N 3.12Å; R76-R79 WeakPolarHBondContact O-CB 3.44Å; R76-R79 PolarHBondContact O-N 2.88Å; R76-R79 VanDerWaalsContact O-N 3.17Å; Q77-R79 PolarHBondContact O-N 3.05Å; R79-G82 PolarHBondContact O-N 2.76Å; R79-V125 PolarHBondContact NH2-O 2.76Å
80Q91.7Very high94.3Very high162 Ų16262.4 Ų62.476%0.75732%0.315SS*.Hα-helixtrans-69.2-37.6174.2-73.4172.1-25.900111.1R76 Q77 G82R76-Q80 WeakPolarHBondContact O-CG 3.3Å; R76-Q80 PolarHBondContact O-N 3.4Å; Q77-Q80 WeakPolarHBondContact O-CB 3.48Å; Q77-Q80 PolarHBondContact O-N 3.41Å; Q80-G82 PolarHBondContact O-N 2.99Å
81I92.1Very high94.3Very high125 Ų12563.6 Ų63.664%0.64132%0.315SS*.THydrogen-bonded Turntrans-69.2-14173.1-58.4163.6000111.4Q77 Q78Q77-I81 WeakPolarHBondContact O-CG1 3.24Å; Q77-I81 PolarHBondContact O-N 3.09Å; Q77-I81 VanDerWaalsContact O-N 3.12Å; Q78-I81 PolarHBondContact O-N 3.06Å
82G88Confident94.3Very high55 Ų5568.4 Ų68.457%0.56734%0.341SS*.THydrogen-bonded Turntrans88.77-178.800000113.9Q78 R79 Q80Q78-G82 PolarHBondContact O-N 3.32Å; R79-G82 PolarHBondContact O-N 2.76Å; Q80-G82 PolarHBondContact O-N 2.99Å
83C88.3Confident94.3Very high53 Ų5371.3 Ų71.336%0.35835%0.354SS..  trans-67137.5177.4-61.70000111.5Q78 I85Q78-C83 HydrophobicContact CB-CB 4.26Å; Q78-C83 VanDerWaalsContact O-CB 3.32Å; Q78-C83 WeakPolarHBondContact O-CB 3.44Å; Q78-C83 PolarHBondContact O-N 3.42Å; C83-I85 HydrophobicContact CB-CD1 4.35Å; C83-I85 PolarHBondContact O-N 3.29Å
84I88.9Confident94.3Very high79 Ų7966 Ų6641%0.40533%0.33SS..  trans-86.2108.2173-60.8175.4000108.4R129I84-R129 HydrophobicContact CD1-CB 3.93Å; I84-R129 HydrophobicContact CD1-CG 3.86Å
85I92.8Very high94.4Very high18 Ų1867.3 Ų67.39%0.09234%0.338CS..  trans-89.9120.8178.3-60.5-53.2000111.3W74 V75 Q78 C83 D89 M90W74-I85 HydrophobicContact CH2-CD1 3.91Å; W74-I85 HydrophobicContact CH2-CG2 4.34Å; W74-I85 HydrophobicContact CZ2-CD1 4.42Å; W74-I85 HydrophobicContact CZ3-CD1 4.38Å; W74-I85 HydrophobicContact CZ3-CG2 3.99Å; V75-I85 HydrophobicContact CG2-CG2 4.37Å; Q78-I85 HydrophobicContact CB-CD1 3.6Å; Q78-I85 HydrophobicContact CB-CG1 3.55Å; Q78-I85 HydrophobicContact CG-CD1 3.81Å; Q78-I85 HydrophobicContact CG-CG1 4.19Å; C83-I85 HydrophobicContact CB-CD1 4.35Å; C83-I85 PolarHBondContact O-N 3.29Å; I85-D89 HydrophobicContact CG2-CB 4.34Å; I85-M90 HydrophobicContact CG2-CG 3.59Å; I85-M90 HydrophobicContact CG2-SD 4.24Å
86R92.6Very high94.4Very high170 Ų17070.3 Ų70.364%0.64236%0.359SS*.  trans-91.2167.4173.3-54.5176.670.287.9-4.1110.2A88 D89 M90R86-A88 VanDerWaalsContact C-N 3.28Å; R86-A88 PolarHBondContact O-N 3.4Å; R86-D89 WeakPolarHBondContact CA-OD2 3.34Å; R86-D89 WeakPolarHBondContact CB-OD2 3.16Å; R86-D89 PolarHBondContact N-OD2 3.11Å; R86-D89 PolarHBondContact O-N 2.99Å; R86-M90 PolarHBondContact O-N 3.14Å
87M94.1Very high94.6Very high43 Ų4366.3 Ų66.321%0.21234%0.344CS..Hα-helixtrans-64.2-34175.4-172.8178.4-75.400112.7M90 K91 T112 C115 M119M87-M90 HydrophobicContact CB-CE 4.46Å; M87-M90 PolarHBondContact O-N 2.9Å; M87-K91 HydrophobicContact CG-CD 4.32Å; M87-K91 WeakPolarHBondContact O-CG 3.39Å; M87-K91 PolarHBondContact O-N 2.71Å; M87-T112 HydrophobicContact CE-CG2 4.48Å; M87-T112 HydrophobicContact SD-CG2 3.72Å; M87-C115 HydrophobicContact CG-CB 4.07Å; M87-C115 HydrophobicContact SD-CB 4.36Å; M87-M119 HydrophobicContact CE-CE 3.45Å; M87-M119 VanDerWaalsContact CE-CE 3.45Å
88A95.1Very high94.7Very high48 Ų4862.6 Ų62.640%0.39733%0.329SS..Hα-helixtrans-59.7-53175.800000110.3R86 M90 K91 D92R86-A88 VanDerWaalsContact C-N 3.28Å; R86-A88 PolarHBondContact O-N 3.4Å; A88-M90 VanDerWaalsContact C-N 3.27Å; A88-M90 PolarHBondContact O-N 2.89Å; A88-K91 WeakPolarHBondContact O-CA 3.43Å; A88-K91 WeakPolarHBondContact O-CB 3.06Å; A88-K91 PolarHBondContact O-N 3.09Å; A88-D92 PolarHBondContact O-N 2.98Å
89D95.8Very high94.8Very high52 Ų5267.2 Ų67.228%0.27835%0.35SS..Hα-helixtrans-55.8-41.1178.8-33.9-28000112.3W74 I85 R86 D92 Q93W74-D89 HydrophobicContact CH2-CB 3.98Å; I85-D89 HydrophobicContact CG2-CB 4.34Å; R86-D89 WeakPolarHBondContact CA-OD2 3.34Å; R86-D89 WeakPolarHBondContact CB-OD2 3.16Å; R86-D89 PolarHBondContact N-OD2 3.11Å; R86-D89 PolarHBondContact O-N 2.99Å; D89-D92 PolarHBondContact O-N 3.34Å; D89-Q93 VanDerWaalsContact O-CB 3.29Å; D89-Q93 WeakPolarHBondContact O-CB 3.48Å; D89-Q93 PolarHBondContact O-N 3.19Å
90M97Very high95.2Very high2 Ų269.4 Ų69.41%0.0137%0.372CS..Hα-helixtrans-66.2-36.2175.2-73.5-177-70.500113.1L71 W74 V75 I85 R86 M87 A88 A94 F118 M119 L126L71-M90 HydrophobicContact CD2-CB 4.46Å; W74-M90 HydrophobicContact CZ3-CG 4.22Å; V75-M90 HydrophobicContact CG2-CG 3.74Å; V75-M90 HydrophobicContact CG2-SD 3.8Å; I85-M90 HydrophobicContact CG2-CG 3.59Å; I85-M90 HydrophobicContact CG2-SD 4.24Å; R86-M90 PolarHBondContact O-N 3.14Å; M87-M90 HydrophobicContact CB-CE 4.46Å; M87-M90 PolarHBondContact O-N 2.9Å; A88-M90 VanDerWaalsContact C-N 3.27Å; A88-M90 PolarHBondContact O-N 2.89Å; M90-A94 WeakPolarHBondContact O-CB 3.23Å; M90-A94 PolarHBondContact O-N 3.44Å; M90-F118 HydrophobicContact SD-CE1 3.82Å; M90-M119 HydrophobicContact CE-CG 4.05Å; M90-M119 HydrophobicContact CE-SD 3.53Å; M90-M119 VanDerWaalsContact CE-SD 3.53Å; M90-M119 HydrophobicContact SD-CG 4.21Å; M90-M119 HydrophobicContact SD-SD 4.41Å; M90-L126 HydrophobicContact CE-CD2 3.93Å
91K98.2Very high95.4Very high65 Ų6563.6 Ų63.628%0.28335%0.346SS..Hα-helixtrans-69.5-43.4176.8-73.217145.8171.60110.7M87 A88 A94 M95 A110 C115M87-K91 HydrophobicContact CG-CD 4.32Å; M87-K91 WeakPolarHBondContact O-CG 3.39Å; M87-K91 PolarHBondContact O-N 2.71Å; A88-K91 WeakPolarHBondContact O-CA 3.43Å; A88-K91 WeakPolarHBondContact O-CB 3.06Å; A88-K91 PolarHBondContact O-N 3.09Å; K91-A94 WeakPolarHBondContact O-CB 2.93Å; K91-A94 PolarHBondContact O-N 2.93Å; K91-M95 WeakPolarHBondContact O-CG 3.48Å; K91-M95 PolarHBondContact O-N 3.29Å; K91-A110 HydrophobicContact CB-CB 3.9Å; K91-A110 WeakPolarHBondContact CD-O 3.35Å; K91-A110 WeakPolarHBondContact CE-O 3.48Å; K91-A110 HydrophobicContact CG-CB 4.09Å; K91-A110 WeakPolarHBondContact CG-O 3.48Å; K91-C115 HydrophobicContact CG-CB 4.36Å
92D98.3Very high95.6Very high106 Ų10661.7 Ų61.757%0.56734%0.342SS*.Hα-helixtrans-66.5-44.7-178.9-60.9-20.5000110.3A88 D89 A94 M95 S96A88-D92 PolarHBondContact O-N 2.98Å; D89-D92 PolarHBondContact O-N 3.34Å; D92-A94 VanDerWaalsContact C-N 3.34Å; D92-A94 PolarHBondContact O-N 3.35Å; D92-M95 PolarHBondContact O-N 3.3Å; D92-S96 WeakPolarHBondContact O-CB 3.28Å; D92-S96 PolarHBondContact O-N 3.24Å
93Q98.2Very high96Very high62 Ų6266.1 Ų66.129%0.2935%0.347SS..Hα-helixtrans-61.4-41173.4-17367.712.400112.1L71 W74 D89 S96 W97L71-Q93 HydrophobicContact CD1-CB 3.75Å; L71-Q93 HydrophobicContact CD1-CG 3.68Å; W74-Q93 HydrophobicContact CD2-CB 4.25Å; W74-Q93 HydrophobicContact CD2-CG 3.59Å; W74-Q93 HydrophobicContact CE3-CB 4.08Å; W74-Q93 HydrophobicContact CE3-CG 3.8Å; W74-Q93 HydrophobicContact CG-CG 3.93Å; W74-Q93 HydrophobicContact CH2-CB 4.01Å; W74-Q93 HydrophobicContact CH2-CG 4.39Å; W74-Q93 HydrophobicContact CZ2-CB 4.18Å; W74-Q93 HydrophobicContact CZ2-CG 4.21Å; W74-Q93 HydrophobicContact CZ3-CB 3.96Å; W74-Q93 HydrophobicContact CZ3-CG 4.2Å; D89-Q93 VanDerWaalsContact O-CB 3.29Å; D89-Q93 WeakPolarHBondContact O-CB 3.48Å; D89-Q93 PolarHBondContact O-N 3.19Å; Q93-S96 PolarHBondContact O-N 2.99Å; Q93-W97 WeakPolarHBondContact O-CB 3.39Å; Q93-W97 PolarHBondContact O-N 2.93Å
94A98.6Very high96.4Very high1 Ų166.5 Ų66.51%0.00835%0.345CS..Hα-helixtrans-63.7-41.9176.900000112.3L67 L71 M90 K91 D92 A98 F108 A110 W114L67-A94 HydrophobicContact CD2-CB 4.14Å; L71-A94 HydrophobicContact CD2-CB 3.98Å; M90-A94 WeakPolarHBondContact O-CB 3.23Å; M90-A94 PolarHBondContact O-N 3.44Å; K91-A94 WeakPolarHBondContact O-CB 2.93Å; K91-A94 PolarHBondContact O-N 2.93Å; D92-A94 VanDerWaalsContact C-N 3.34Å; D92-A94 PolarHBondContact O-N 3.35Å; A94-A98 VanDerWaalsContact O-CB 3.31Å; A94-A98 WeakPolarHBondContact O-CB 3.16Å; A94-A98 PolarHBondContact O-N 3.43Å; A94-F108 HydrophobicContact CB-CE1 3.89Å; A94-F108 HydrophobicContact CB-CZ 3.82Å; A94-A110 HydrophobicContact CB-CB 4.45Å; A94-W114 HydrophobicContact CB-CH2 3.58Å; A94-W114 HydrophobicContact CB-CZ3 3.82Å
95M98.4Very high96.7Very high68 Ų6863.1 Ų63.134%0.33533%0.329SS..Hα-helixtrans-66.7-42.3176.7-71.9-59.3-61.700111.2K91 D92 A98 H99 F108 A110K91-M95 WeakPolarHBondContact O-CG 3.48Å; K91-M95 PolarHBondContact O-N 3.29Å; D92-M95 PolarHBondContact O-N 3.3Å; M95-A98 PolarHBondContact O-N 3.31Å; M95-H99 PolarHBondContact O-N 3.49Å; M95-H99 PolarHBondContact O-ND1 3.45Å; M95-F108 HydrophobicContact SD-CD1 4.14Å; M95-F108 HydrophobicContact SD-CE1 3.95Å; M95-A110 HydrophobicContact CG-CB 3.62Å; M95-A110 HydrophobicContact SD-CB 3.69Å
96S98.3Very high96.8Very high63 Ų6372 Ų7244%0.44136%0.363SS..Hα-helixtrans-59-49.1174.8-179.30000111.1D92 Q93 A98 H99 C100D92-S96 WeakPolarHBondContact O-CB 3.28Å; D92-S96 PolarHBondContact O-N 3.24Å; Q93-S96 PolarHBondContact O-N 2.99Å; S96-A98 VanDerWaalsContact C-N 3.32Å; S96-A98 PolarHBondContact O-N 2.94Å; S96-H99 PolarHBondContact O-N 2.89Å; S96-C100 PolarHBondContact O-N 2.85Å
97W98.5Very high97Very high40 Ų4067 Ų6715%0.15236%0.364CS..Hα-helixtrans-58.7-43.1175.9-171.495.9000112.4E66 L67 S70 Q93 C100 N101 L104E66-W97 HydrophobicContact CB-CH2 4.03Å; E66-W97 HydrophobicContact CB-CZ2 4.28Å; L67-W97 HydrophobicContact CB-CD2 4.3Å; L67-W97 HydrophobicContact CB-CE3 3.59Å; L67-W97 HydrophobicContact CB-CH2 3.93Å; L67-W97 HydrophobicContact CB-CZ3 3.39Å; L67-W97 HydrophobicContact CD1-CE3 3.65Å; L67-W97 HydrophobicContact CD1-CZ3 3.94Å; L67-W97 HydrophobicContact CG-CD2 4.11Å; L67-W97 HydrophobicContact CG-CE3 3.43Å; L67-W97 VanDerWaalsContact CG-CE3 3.43Å; L67-W97 HydrophobicContact CG-CZ3 3.78Å; S70-W97 VanDerWaalsContact OG-CD1 3.25Å; S70-W97 PolarHBondContact OG-NE1 3.34Å; Q93-W97 WeakPolarHBondContact O-CB 3.39Å; Q93-W97 PolarHBondContact O-N 2.93Å; W97-C100 PolarHBondContact O-N 3Å; W97-N101 HydrophobicContact CD2-CB 4.26Å; W97-N101 HydrophobicContact CE3-CB 3.93Å; W97-N101 HydrophobicContact CH2-CB 3.73Å; W97-N101 HydrophobicContact CZ2-CB 4.06Å; W97-N101 HydrophobicContact CZ3-CB 3.64Å; W97-N101 WeakPolarHBondContact O-CB 3.4Å; W97-N101 PolarHBondContact O-N 3.32Å; W97-N101 PolarHBondContact O-ND2 3.37Å; W97-L104 HydrophobicContact CH2-CB 3.71Å; W97-L104 HydrophobicContact CH2-CD1 3.82Å; W97-L104 HydrophobicContact CH2-CG 4.42Å; W97-L104 HydrophobicContact CZ2-CD1 4.26Å; W97-L104 HydrophobicContact CZ3-CB 4.08Å
98A98Very high97.1Very high9 Ų966.1 Ų66.17%0.07436%0.359CS..Hα-helixtrans-64.6-38.8179.300000112.8L67 A94 M95 S96 C100 N101 S105 F108L67-A98 HydrophobicContact CD1-CB 4.14Å; A94-A98 VanDerWaalsContact O-CB 3.31Å; A94-A98 WeakPolarHBondContact O-CB 3.16Å; A94-A98 PolarHBondContact O-N 3.43Å; M95-A98 PolarHBondContact O-N 3.31Å; S96-A98 VanDerWaalsContact C-N 3.32Å; S96-A98 PolarHBondContact O-N 2.94Å; A98-C100 VanDerWaalsContact C-N 3.29Å; A98-C100 PolarHBondContact O-N 2.91Å; A98-N101 CarbonylContact O-C 3.59Å; A98-N101 PolarHBondContact O-N 2.62Å; A98-S105 WeakPolarHBondContact CA-OG 3.19Å; A98-S105 WeakPolarHBondContact CB-OG 3.16Å; A98-S105 PolarHBondContact O-OG 3.19Å; A98-F108 HydrophobicContact CB-CD1 3.57Å; A98-F108 HydrophobicContact CB-CE1 4.22Å; A98-F108 HydrophobicContact CB-CG 4.41Å
99H97.6Very high97.2Very high140 Ų14066.3 Ų66.365%0.64836%0.36SS*.Hα-helixtrans-62.6-37.1174.3-76.9101.2000112.1M95 S96 N101M95-H99 PolarHBondContact O-N 3.49Å; M95-H99 PolarHBondContact O-ND1 3.45Å; S96-H99 PolarHBondContact O-N 2.89Å; H99-N101 VanDerWaalsContact C-N 3.34Å
100C97.7Very high97.2Very high96 Ų9664.3 Ų64.365%0.64935%0.352SS*.Hα-helixtrans-76.6-19.9176.4-62.80000113.4S96 W97 A98 P102S96-C100 PolarHBondContact O-N 2.85Å; W97-C100 PolarHBondContact O-N 3Å; A98-C100 VanDerWaalsContact C-N 3.29Å; A98-C100 PolarHBondContact O-N 2.91Å; C100-P102 VanDerWaalsContact C-CD 3.41Å
101N97.9Very high97.2Very high40 Ų4067.9 Ų67.921%0.21437%0.373CS..  trans-12854.5-173.8-61.1-86.9000112.7W97 A98 H99 H103 L104 S105W97-N101 HydrophobicContact CD2-CB 4.26Å; W97-N101 HydrophobicContact CE3-CB 3.93Å; W97-N101 HydrophobicContact CH2-CB 3.73Å; W97-N101 HydrophobicContact CZ2-CB 4.06Å; W97-N101 HydrophobicContact CZ3-CB 3.64Å; W97-N101 WeakPolarHBondContact O-CB 3.4Å; W97-N101 PolarHBondContact O-N 3.32Å; W97-N101 PolarHBondContact O-ND2 3.37Å; A98-N101 CarbonylContact O-C 3.59Å; A98-N101 PolarHBondContact O-N 2.62Å; H99-N101 VanDerWaalsContact C-N 3.34Å; N101-H103 PolarHBondContact O-N 2.83Å; N101-H103 VanDerWaalsContact O-N 3.11Å; N101-L104 HydrophobicContact CB-CB 4.34Å; N101-L104 HydrophobicContact CB-CD1 4.46Å; N101-L104 PolarHBondContact O-N 3.21Å; N101-S105 PolarHBondContact O-N 3.47Å; N101-S105 VanDerWaalsContact O-N 3.12Å; N101-S105 PolarHBondContact O-OG 2.94Å
102P95.3Very high97.2Very high86 Ų8668.7 Ų68.756%0.55838%0.384SS*.THydrogen-bonded Turntrans-60.6-30.7-170.323.8-34.5000113.7C100 L104 S105 Y106C100-P102 VanDerWaalsContact C-CD 3.41Å; P102-L104 VanDerWaalsContact C-N 3.28Å; P102-L104 PolarHBondContact O-N 3.48Å; P102-S105 PolarHBondContact O-N 3.06Å; P102-Y106 PolarHBondContact O-N 3.33Å
103H96.3Very high97Very high147 Ų14765.1 Ų65.168%0.68137%0.372SS*.THydrogen-bonded Turntrans-69.4-23176.865-78.8000113.4N101N101-H103 PolarHBondContact O-N 2.83Å; N101-H103 VanDerWaalsContact O-N 3.11Å
104L96.4Very high96.9Very high61 Ų6163 Ų6332%0.31936%0.361SS..THydrogen-bonded Turntrans-101.4-10.1177.3-60.1176.5000113.2E66 W97 N101 P102E66-L104 HydrophobicContact CB-CD1 4.31Å; E66-L104 HydrophobicContact CG-CD1 4.45Å; W97-L104 HydrophobicContact CH2-CB 3.71Å; W97-L104 HydrophobicContact CH2-CD1 3.82Å; W97-L104 HydrophobicContact CH2-CG 4.42Å; W97-L104 HydrophobicContact CZ2-CD1 4.26Å; W97-L104 HydrophobicContact CZ3-CB 4.08Å; N101-L104 HydrophobicContact CB-CB 4.34Å; N101-L104 HydrophobicContact CB-CD1 4.46Å; N101-L104 PolarHBondContact O-N 3.21Å; P102-L104 VanDerWaalsContact C-N 3.28Å; P102-L104 PolarHBondContact O-N 3.48Å
105S95.7Very high96.8Very high8 Ų862.9 Ų62.96%0.05636%0.361CS..SBendtrans-12929.3-175.565.20000113.1A98 N101 P102 G107 F108A98-S105 WeakPolarHBondContact CA-OG 3.19Å; A98-S105 WeakPolarHBondContact CB-OG 3.16Å; A98-S105 PolarHBondContact O-OG 3.19Å; N101-S105 PolarHBondContact O-N 3.47Å; N101-S105 VanDerWaalsContact O-N 3.12Å; N101-S105 PolarHBondContact O-OG 2.94Å; P102-S105 PolarHBondContact O-N 3.06Å; S105-G107 PolarHBondContact O-N 3.49Å; S105-F108 WeakPolarHBondContact O-CB 3.49Å; S105-F108 PolarHBondContact O-N 3.39Å
106Y95.3Very high96.7Very high206 Ų20662.2 Ų62.281%0.80836%0.363SS*.THydrogen-bonded Turntrans-56.1128178.1-175.4-100.4000111.1W64 P102 F108W64-Y106 PolarHBondContact NE1-O 2.93Å; P102-Y106 PolarHBondContact O-N 3.33Å; Y106-F108 PolarHBondContact O-N 3.36Å
107G95.6Very high96.5Very high65 Ų6565.4 Ų65.467%0.6737%0.365SS*.THydrogen-bonded Turntrans67.512.6-177.900000115.1S105S105-G107 PolarHBondContact O-N 3.49Å
108F97.3Very high96.4Very high23 Ų2363.5 Ų63.510%0.10136%0.358CS..  trans-66.8138.2178.5176.1-109.9000112W64 L67 A94 M95 A98 S105 Y106 A110 W114W64-F108 HydrophobicContact CD2-CB 4.35Å; W64-F108 AromaticContact CD2-CD2 3.73Å; W64-F108 HydrophobicContact CD2-CD2 3.73Å; W64-F108 HydrophobicContact CD2-CG 4.48Å; W64-F108 AromaticContact CE3-CD2 3.55Å; W64-F108 HydrophobicContact CE3-CD2 3.55Å; W64-F108 HydrophobicContact CE3-CE2 4.09Å; W64-F108 HydrophobicContact CG-CD2 4.37Å; W64-F108 HydrophobicContact CH2-CD2 4.06Å; W64-F108 HydrophobicContact CZ2-CB 4.09Å; W64-F108 HydrophobicContact CZ2-CD2 4.23Å; W64-F108 AromaticContact CZ3-CD2 3.73Å; W64-F108 HydrophobicContact CZ3-CD2 3.73Å; W64-F108 HydrophobicContact CZ3-CE2 4.27Å; L67-F108 HydrophobicContact CD1-CD1 3.76Å; L67-F108 HydrophobicContact CD1-CD2 3.99Å; L67-F108 HydrophobicContact CD1-CE1 3.79Å; L67-F108 HydrophobicContact CD1-CE2 4.04Å; L67-F108 HydrophobicContact CD1-CG 3.85Å; L67-F108 HydrophobicContact CD1-CZ 3.93Å; L67-F108 HydrophobicContact CD2-CE2 4.42Å; L67-F108 HydrophobicContact CD2-CZ 4.2Å; A94-F108 HydrophobicContact CB-CE1 3.89Å; A94-F108 HydrophobicContact CB-CZ 3.82Å; M95-F108 HydrophobicContact SD-CD1 4.14Å; M95-F108 HydrophobicContact SD-CE1 3.95Å; A98-F108 HydrophobicContact CB-CD1 3.57Å; A98-F108 HydrophobicContact CB-CE1 4.22Å; A98-F108 HydrophobicContact CB-CG 4.41Å; S105-F108 WeakPolarHBondContact O-CB 3.49Å; S105-F108 PolarHBondContact O-N 3.39Å; Y106-F108 PolarHBondContact O-N 3.36Å; F108-A110 HydrophobicContact CE1-CB 3.93Å; F108-A110 HydrophobicContact CZ-CB 3.9Å; F108-W114 AromaticContact CE2-CD2 3.69Å; F108-W114 HydrophobicContact CE2-CD2 3.69Å; F108-W114 AromaticContact CE2-CE2 3.47Å; F108-W114 VanDerWaalsContact CE2-CE2 3.47Å; F108-W114 HydrophobicContact CE2-CE3 4.09Å; F108-W114 HydrophobicContact CE2-CG 4.2Å; F108-W114 HydrophobicContact CE2-CH2 4.07Å; F108-W114 AromaticContact CE2-CZ2 3.69Å; F108-W114 HydrophobicContact CE2-CZ2 3.69Å; F108-W114 HydrophobicContact CE2-CZ3 4.27Å; F108-W114 AromaticContact CE2-NE1 3.79Å; F108-W114 HydrophobicContact CZ-CD2 4.01Å; F108-W114 AromaticContact CZ-CE2 3.93Å; F108-W114 AromaticContact CZ-CE3 3.92Å; F108-W114 HydrophobicContact CZ-CE3 3.92Å; F108-W114 AromaticContact CZ-CH2 3.67Å; F108-W114 HydrophobicContact CZ-CH2 3.67Å; F108-W114 AromaticContact CZ-CZ2 3.78Å; F108-W114 HydrophobicContact CZ-CZ2 3.78Å; F108-W114 AromaticContact CZ-CZ3 3.75Å; F108-W114 HydrophobicContact CZ-CZ3 3.75Å
109A96.7Very high96.3Very high52 Ų5264 Ų6443%0.4336%0.359SS..  trans-137.5126.516900000109.9T111A109-T111 HydrophobicContact CB-CG2 4.17Å; A109-T111 PolarHBondContact O-N 3.11Å
110A96.5Very high96.1Very high11 Ų1166 Ų669%0.09136%0.36CS..  trans-75.458.6179.900000112.6K91 A94 M95 F108 W114K91-A110 HydrophobicContact CB-CB 3.9Å; K91-A110 WeakPolarHBondContact CD-O 3.35Å; K91-A110 WeakPolarHBondContact CE-O 3.48Å; K91-A110 HydrophobicContact CG-CB 4.09Å; K91-A110 WeakPolarHBondContact CG-O 3.48Å; A94-A110 HydrophobicContact CB-CB 4.45Å; M95-A110 HydrophobicContact CG-CB 3.62Å; M95-A110 HydrophobicContact SD-CB 3.69Å; F108-A110 HydrophobicContact CE1-CB 3.93Å; F108-A110 HydrophobicContact CZ-CB 3.9Å; A110-W114 HydrophobicContact CB-CE3 4.46Å; A110-W114 HydrophobicContact CB-CZ3 4.37Å
111T97.2Very high95.9Very high76 Ų7665 Ų6547%0.46634%0.343SS..  trans-70.9154.3178.965.60000111.9A109 G113 W114 C115A109-T111 HydrophobicContact CB-CG2 4.17Å; A109-T111 PolarHBondContact O-N 3.11Å; T111-G113 PolarHBondContact O-N 2.87Å; T111-W114 PolarHBondContact O-N 2.87Å; T111-W114 VanDerWaalsContact O-N 3.08Å; T111-W114 WeakPolarHBondContact OG1-CB 3.32Å; T111-W114 PolarHBondContact OG1-N 3.06Å; T111-W114 VanDerWaalsContact OG1-N 3.09Å; T111-C115 PolarHBondContact O-N 3.26Å
112T96.4Very high95.7Very high82 Ų8265.4 Ų65.450%0.50334%0.343SS..Hα-helixtrans-55.2-39.5173.1-58.10000112.1M87 C115 S116M87-T112 HydrophobicContact CE-CG2 4.48Å; M87-T112 HydrophobicContact SD-CG2 3.72Å; T112-C115 PolarHBondContact O-N 3.35Å; T112-S116 WeakPolarHBondContact O-CB 3.4Å; T112-S116 PolarHBondContact O-N 3.01Å; T112-S116 PolarHBondContact O-OG 3.49Å
113G95.5Very high95.6Very high31 Ų3168.1 Ų68.132%0.3235%0.353SS..Hα-helixtrans-68.6-36.1177.100000113T111 R117T111-G113 PolarHBondContact O-N 2.87Å; G113-R117 WeakPolarHBondContact O-CG 3.44Å; G113-R117 PolarHBondContact O-N 3.25Å; G113-R117 PolarHBondContact O-NH1 3.45Å
114W96.1Very high95.5Very high17 Ų1761.9 Ų61.96%0.06432%0.324CS..Hα-helixtrans-66-50.9171.5167.284.5000110.6W64 L67 E68 L71 A94 F108 A110 T111 S116 R117 F118W64-W114 AromaticContact CZ3-CD1 3.99Å; L67-W114 HydrophobicContact CD2-CH2 3.82Å; L67-W114 HydrophobicContact CD2-CZ2 3.56Å; E68-W114 HydrophobicContact CG-CZ2 4.03Å; E68-W114 PolarHBondContact OE1-NE1 3.26Å; L71-W114 HydrophobicContact CD2-CH2 3.58Å; L71-W114 HydrophobicContact CD2-CZ2 4.44Å; L71-W114 HydrophobicContact CD2-CZ3 4.36Å; A94-W114 HydrophobicContact CB-CH2 3.58Å; A94-W114 HydrophobicContact CB-CZ3 3.82Å; F108-W114 AromaticContact CE2-CD2 3.69Å; F108-W114 HydrophobicContact CE2-CD2 3.69Å; F108-W114 AromaticContact CE2-CE2 3.47Å; F108-W114 VanDerWaalsContact CE2-CE2 3.47Å; F108-W114 HydrophobicContact CE2-CE3 4.09Å; F108-W114 HydrophobicContact CE2-CG 4.2Å; F108-W114 HydrophobicContact CE2-CH2 4.07Å; F108-W114 AromaticContact CE2-CZ2 3.69Å; F108-W114 HydrophobicContact CE2-CZ2 3.69Å; F108-W114 HydrophobicContact CE2-CZ3 4.27Å; F108-W114 AromaticContact CE2-NE1 3.79Å; F108-W114 HydrophobicContact CZ-CD2 4.01Å; F108-W114 AromaticContact CZ-CE2 3.93Å; F108-W114 AromaticContact CZ-CE3 3.92Å; F108-W114 HydrophobicContact CZ-CE3 3.92Å; F108-W114 AromaticContact CZ-CH2 3.67Å; F108-W114 HydrophobicContact CZ-CH2 3.67Å; F108-W114 AromaticContact CZ-CZ2 3.78Å; F108-W114 HydrophobicContact CZ-CZ2 3.78Å; F108-W114 AromaticContact CZ-CZ3 3.75Å; F108-W114 HydrophobicContact CZ-CZ3 3.75Å; A110-W114 HydrophobicContact CB-CE3 4.46Å; A110-W114 HydrophobicContact CB-CZ3 4.37Å; T111-W114 PolarHBondContact O-N 2.87Å; T111-W114 VanDerWaalsContact O-N 3.08Å; T111-W114 WeakPolarHBondContact OG1-CB 3.32Å; T111-W114 PolarHBondContact OG1-N 3.06Å; T111-W114 VanDerWaalsContact OG1-N 3.09Å; W114-S116 VanDerWaalsContact C-N 3.29Å; W114-S116 PolarHBondContact O-N 3.34Å; W114-R117 WeakPolarHBondContact O-CA 3.33Å; W114-R117 WeakPolarHBondContact O-CB 3.49Å; W114-R117 PolarHBondContact O-N 3.32Å; W114-F118 HydrophobicContact CH2-CG 4.49Å; W114-F118 HydrophobicContact CZ2-CB 4.17Å; W114-F118 HydrophobicContact CZ2-CG 4.36Å; W114-F118 PolarHBondContact O-N 2.99Å
115C96.5Very high95Very high0 Ų063.7 Ų63.70%034%0.338CS..Hα-helixtrans-58.9-40.8-177.4-168.60000111.8M87 K91 T111 T112 R117 F118 M119M87-C115 HydrophobicContact CG-CB 4.07Å; M87-C115 HydrophobicContact SD-CB 4.36Å; K91-C115 HydrophobicContact CG-CB 4.36Å; T111-C115 PolarHBondContact O-N 3.26Å; T112-C115 PolarHBondContact O-N 3.35Å; C115-R117 VanDerWaalsContact C-N 3.35Å; C115-R117 PolarHBondContact O-N 3.37Å; C115-F118 WeakPolarHBondContact O-CB 3.46Å; C115-F118 PolarHBondContact O-N 3.08Å; C115-M119 WeakPolarHBondContact O-CG 3.3Å; C115-M119 PolarHBondContact O-N 3.12Å
116S95Very high94.5Very high53 Ų5367.6 Ų67.637%0.37136%0.358SS..Hα-helixtrans-61.3-39.7174.5-58.90000113T112 W114 R120T112-S116 WeakPolarHBondContact O-CB 3.4Å; T112-S116 PolarHBondContact O-N 3.01Å; T112-S116 PolarHBondContact O-OG 3.49Å; W114-S116 VanDerWaalsContact C-N 3.29Å; W114-S116 PolarHBondContact O-N 3.34Å; S116-R120 PolarHBondContact O-N 2.74Å; S116-R120 VanDerWaalsContact O-N 3.14Å
117R94.8Very high93.7Very high131 Ų13165.3 Ų65.349%0.49435%0.348SS..Hα-helixtrans-72-40.2176.8-70.2179.7-173.493-8.5111.7G113 W114 C115 R120 R121G113-R117 WeakPolarHBondContact O-CG 3.44Å; G113-R117 PolarHBondContact O-N 3.25Å; G113-R117 PolarHBondContact O-NH1 3.45Å; W114-R117 WeakPolarHBondContact O-CA 3.33Å; W114-R117 WeakPolarHBondContact O-CB 3.49Å; W114-R117 PolarHBondContact O-N 3.32Å; C115-R117 VanDerWaalsContact C-N 3.35Å; C115-R117 PolarHBondContact O-N 3.37Å; R117-R120 PolarHBondContact O-N 3.44Å; R117-R121 WeakPolarHBondContact O-CG 3.26Å; R117-R121 PolarHBondContact O-N 3.36Å
118F96.1Very high92.6Very high0 Ų073.6 Ų73.60%036%0.359CS..Hα-helixtrans-55-53172.1154.8-106.3000110.7E68 L71 A72 M90 W114 C115 R120 R121 K122 L124E68-F118 HydrophobicContact CB-CD2 3.87Å; E68-F118 HydrophobicContact CB-CE2 4.19Å; E68-F118 HydrophobicContact CG-CD2 3.7Å; E68-F118 HydrophobicContact CG-CE2 4.44Å; E68-F118 HydrophobicContact CG-CG 4.5Å; E68-F118 WeakPolarHBondContact O-CE2 3.49Å; L71-F118 HydrophobicContact CB-CE2 4.24Å; L71-F118 HydrophobicContact CB-CZ 4.04Å; L71-F118 HydrophobicContact CD2-CD1 4.05Å; L71-F118 HydrophobicContact CD2-CE1 3.57Å; L71-F118 HydrophobicContact CD2-CE2 4.08Å; L71-F118 HydrophobicContact CD2-CZ 3.59Å; L71-F118 HydrophobicContact CG-CE1 3.99Å; L71-F118 HydrophobicContact CG-CE2 4.27Å; L71-F118 HydrophobicContact CG-CZ 3.63Å; A72-F118 HydrophobicContact CB-CE2 4.1Å; A72-F118 HydrophobicContact CB-CZ 4.26Å; M90-F118 HydrophobicContact SD-CE1 3.82Å; W114-F118 HydrophobicContact CH2-CG 4.49Å; W114-F118 HydrophobicContact CZ2-CB 4.17Å; W114-F118 HydrophobicContact CZ2-CG 4.36Å; W114-F118 PolarHBondContact O-N 2.99Å; C115-F118 WeakPolarHBondContact O-CB 3.46Å; C115-F118 PolarHBondContact O-N 3.08Å; F118-R120 VanDerWaalsContact C-N 3.31Å; F118-R120 PolarHBondContact O-N 3.19Å; F118-R121 PolarHBondContact O-N 3.3Å; F118-R121 VanDerWaalsContact O-N 3.11Å; F118-K122 HydrophobicContact CD2-CG 3.82Å; F118-K122 HydrophobicContact CE2-CB 4.3Å; F118-K122 HydrophobicContact CE2-CG 3.6Å; F118-K122 HydrophobicContact CZ-CG 4.44Å; F118-K122 PolarHBondContact O-N 3.28Å; F118-L124 HydrophobicContact CE1-CD1 3.7Å; F118-L124 HydrophobicContact CE2-CD1 4.4Å; F118-L124 HydrophobicContact CZ-CD1 3.55Å
119M95.4Very high91.1Very high18 Ų1882.1 Ų82.19%0.08939%0.39CS..Hα-helixtrans-56.7-45.4178-76.4-168.7-64.700111.9M87 M90 C115 R121 K122 N123 L124 L126M87-M119 HydrophobicContact CE-CE 3.45Å; M87-M119 VanDerWaalsContact CE-CE 3.45Å; M90-M119 HydrophobicContact CE-CG 4.05Å; M90-M119 HydrophobicContact CE-SD 3.53Å; M90-M119 VanDerWaalsContact CE-SD 3.53Å; M90-M119 HydrophobicContact SD-CG 4.21Å; M90-M119 HydrophobicContact SD-SD 4.41Å; C115-M119 WeakPolarHBondContact O-CG 3.3Å; C115-M119 PolarHBondContact O-N 3.12Å; M119-R121 PolarHBondContact O-N 2.93Å; M119-K122 CarbonylContact O-C 3.36Å; M119-K122 PolarHBondContact O-N 3.05Å; M119-N123 WeakPolarHBondContact O-CA 3.43Å; M119-N123 PolarHBondContact O-N 3.08Å; M119-L124 HydrophobicContact CB-CB 4.19Å; M119-L124 HydrophobicContact CG-CB 4.13Å; M119-L124 PolarHBondContact O-N 3.42Å; M119-L126 HydrophobicContact SD-CD2 4.01Å; M119-L126 HydrophobicContact SD-CG 4.07Å
120R94Very high89.4Confident182 Ų18288.5 Ų88.569%0.68741%0.408SS*.Hα-helixtrans-62.3-42.2177-174176.563.6-150.8-1112.5S116 R117 F118 K122 N123S116-R120 PolarHBondContact O-N 2.74Å; S116-R120 VanDerWaalsContact O-N 3.14Å; R117-R120 PolarHBondContact O-N 3.44Å; F118-R120 VanDerWaalsContact C-N 3.31Å; F118-R120 PolarHBondContact O-N 3.19Å; R120-K122 VanDerWaalsContact C-N 3.33Å; R120-N123 PolarHBondContact O-N 3.42Å
121R93.7Very high87.7Confident75 Ų7597.4 Ų97.428%0.28345%0.445SS..Hα-helixtrans-65.6-37177.9-76.5-174.8-64.7-104.7-9.9112.4G60 E68 R117 F118 M119G60-R121 VanDerWaalsContact O-CD 3.25Å; G60-R121 WeakPolarHBondContact O-CD 3.49Å; E68-R121 IonicContact OE1-CZ 2.76Å; E68-R121 IonicContact OE1-NE 2.71Å; E68-R121 IonicContact OE1-NH2 2.9Å; E68-R121 PolarHBondContact OE1-NH2 3.27Å; E68-R121 IonicContact OE2-CZ 2.58Å; E68-R121 IonicContact OE2-NE 3.86Å; E68-R121 PolarHBondContact OE2-NE 2.58Å; E68-R121 IonicContact OE2-NH2 3.52Å; E68-R121 PolarHBondContact OE2-NH2 3.45Å; R117-R121 WeakPolarHBondContact O-CG 3.26Å; R117-R121 PolarHBondContact O-N 3.36Å; F118-R121 PolarHBondContact O-N 3.3Å; F118-R121 VanDerWaalsContact O-N 3.11Å; M119-R121 PolarHBondContact O-N 2.93Å
122K94.7Very high85.9Confident49 Ų4999.8 Ų99.821%0.21346%0.459CS..THydrogen-bonded Turntrans-94.27.9-177.9-60.8-61.7-170.4-1740113.6E68 N69 A72 F118 M119 R120 L124E68-K122 WeakPolarHBondContact O-CE 3.4Å; N69-K122 PolarHBondContact OD1-NZ 2.91Å; A72-K122 HydrophobicContact CB-CB 4.23Å; A72-K122 HydrophobicContact CB-CD 3.98Å; A72-K122 HydrophobicContact CB-CG 3.9Å; F118-K122 HydrophobicContact CD2-CG 3.82Å; F118-K122 HydrophobicContact CE2-CB 4.3Å; F118-K122 HydrophobicContact CE2-CG 3.6Å; F118-K122 HydrophobicContact CZ-CG 4.44Å; F118-K122 PolarHBondContact O-N 3.28Å; M119-K122 CarbonylContact O-C 3.36Å; M119-K122 PolarHBondContact O-N 3.05Å; R120-K122 VanDerWaalsContact C-N 3.33Å; K122-L124 HydrophobicContact CB-CD1 3.97Å; K122-L124 HydrophobicContact CB-CG 3.9Å; K122-L124 PolarHBondContact O-N 3.38Å
123N92.4Very high83.8Confident143 Ų143100.9 Ų100.977%0.76548%0.477SS*.THydrogen-bonded Turntrans51.838.9-177.3-59.4-59.4000113.3M119 R120M119-N123 WeakPolarHBondContact O-CA 3.43Å; M119-N123 PolarHBondContact O-N 3.08Å; R120-N123 PolarHBondContact O-N 3.42Å
124L93.2Very high82Confident16 Ų16101.7 Ų101.78%0.08448%0.484CS..  trans-92.8128.7177.6-59.6173.8000109.8V75 F118 M119 K122V75-L124 HydrophobicContact CB-CD1 4.28Å; V75-L124 HydrophobicContact CG1-CD1 4.05Å; V75-L124 HydrophobicContact CG1-CD2 4.01Å; V75-L124 HydrophobicContact CG2-CD1 4.34Å; F118-L124 HydrophobicContact CE1-CD1 3.7Å; F118-L124 HydrophobicContact CE2-CD1 4.4Å; F118-L124 HydrophobicContact CZ-CD1 3.55Å; M119-L124 HydrophobicContact CB-CB 4.19Å; M119-L124 HydrophobicContact CG-CB 4.13Å; M119-L124 PolarHBondContact O-N 3.42Å; K122-L124 HydrophobicContact CB-CD1 3.97Å; K122-L124 HydrophobicContact CB-CG 3.9Å; K122-L124 PolarHBondContact O-N 3.38Å
125V87.8Confident80.1Confident99 Ų99110.6 Ų110.660%0.652%0.524SS*.  trans-110.9140.6173.2-63.80000110.3R79 R127R79-V125 PolarHBondContact NH2-O 2.76Å; V125-R127 PolarHBondContact O-N 3.29Å
126L84.2Confident78Confident90 Ų90118.3 Ų118.347%0.47156%0.564SS.*PPolyproline II helixtrans-68.9126.1172.1-68.1176.9000109.2M90 M119M90-L126 HydrophobicContact CE-CD2 3.93Å; M119-L126 HydrophobicContact SD-CD2 4.01Å; M119-L126 HydrophobicContact SD-CG 4.07Å
127R78Confident76.2Confident159 Ų159120.6 Ų120.660%0.658%0.578SS**PPolyproline II helixtrans-82.4128.3173-71.8-175.4174.2-177.9-1.3108.7V125V125-R127 PolarHBondContact O-N 3.29Å
128R72.5Confident74.4Confident238 Ų238118.6 Ų118.690%0.89859%0.589SS**PPolyproline II helixtrans-68.8136.8166.7-71-174.7178.7-171-0.3108.2K130R128-K130 PolarHBondContact O-N 3.04Å; R128-K130 VanDerWaalsContact O-N 3.09Å
129R65.4Low72.5Confident202 Ų202125.8 Ų125.876%0.76263%0.628SS**PPolyproline II helixtrans-56118.5166.2-172.6174.1-177.5-177.91.8106.7I84 K131I84-R129 HydrophobicContact CD1-CB 3.93Å; I84-R129 HydrophobicContact CD1-CG 3.86Å; R129-K131 PolarHBondContact O-N 3.44Å
130K61.7Low70.3Confident187 Ų187132.9 Ų132.981%0.81367%0.665SS**PPolyproline II helixtrans-63.1126.1163.4-70.8-174.8178.2-1790105.2R128 V132R128-K130 PolarHBondContact O-N 3.04Å; R128-K130 VanDerWaalsContact O-N 3.09Å; K130-V132 PolarHBondContact O-N 3.38Å; K130-V132 VanDerWaalsContact O-N 3.1Å
131K61.8Low68.2Low197 Ų197132.7 Ų132.786%0.85767%0.672SS**PPolyproline II helixtrans-55122159.7-73.4-174.2177.4-175.40104.5R129 A133R129-K131 PolarHBondContact O-N 3.44Å; K131-A133 PolarHBondContact O-N 3.36Å
132V57.9Low66.2Low127 Ų127136.4 Ų136.477%0.7770%0.697SS**  trans-65.194.1168.61780000103.9K130 G134K130-V132 PolarHBondContact O-N 3.38Å; K130-V132 VanDerWaalsContact O-N 3.1Å; V132-G134 PolarHBondContact O-N 3.3Å
133A53.7Low64.1Low105 Ų105143.3 Ų143.387%0.86873%0.727SS**  trans-80.256.4165.700000106.8K131K131-A133 PolarHBondContact O-N 3.36Å
134G56.4Low62.1Low47 Ų47144.9 Ų144.949%0.48574%0.735SS.*  trans-104.1110.5170.400000105.2V132 L136V132-G134 PolarHBondContact O-N 3.3Å; G134-L136 PolarHBondContact O-N 3.37Å
135K56.5Low60.1Low204 Ų204150.6 Ų150.689%0.88777%0.766SS**  trans-41.6113.9152.9-97.1168.5168.8-177.50106P137K135-P137 VanDerWaalsContact O-CD 3.23Å; K135-P137 WeakPolarHBondContact O-CD 3.45Å; K135-P137 VanDerWaalsContact O-N 3.12Å
136L53.3Low58.4Low162 Ų162152.1 Ų152.185%0.84877%0.77SS**  trans-55.2116.6166.2-163.572.2000104.4G134 A138G134-L136 PolarHBondContact O-N 3.37Å; L136-A138 PolarHBondContact O-N 3.04Å; L136-A138 VanDerWaalsContact O-N 3.13Å
137P57.2Low57.1Low102 Ų102154.7 Ų154.766%0.66279%0.79SS**  trans-57123169.3-15.829.2000105.6K135 D139K135-P137 VanDerWaalsContact O-CD 3.23Å; K135-P137 WeakPolarHBondContact O-CD 3.45Å; K135-P137 VanDerWaalsContact O-N 3.12Å; P137-D139 PolarHBondContact O-N 3.2Å
138A57.4Low55.9Low88 Ų88155.4 Ų155.473%0.72780%0.8SS**SBendtrans-70.226.6-178.700000112.8L136L136-A138 PolarHBondContact O-N 3.04Å; L136-A138 VanDerWaalsContact O-N 3.13Å
139D54.5Low54.9Low152 Ų152151 Ų15181%0.81380%0.795SS**  trans-115.919.3-166.3-11636000112.5P137P137-D139 PolarHBondContact O-N 3.2Å
140L49.7Very low54.6Low167 Ų167149.8 Ų149.887%0.87480%0.797SS**  trans-11436.5175.2-145.979000112.4
141E50.2Low53.9Low178 Ų178151.5 Ų151.583%0.83280%0.798SS**  trans-115.563167.8-78155.7-171.300107.9
142D52.6Low53.3Low153 Ų153149.6 Ų149.682%0.81880%0.797SS**  trans-156.5140.9160.3-136.2-6.2000108.8
143K50.2Low52.9Low193 Ų193149.1 Ų149.184%0.83980%0.796SS**  trans90.454-172.2-43.5-160.4-168.1-1580116.5
144L50Low52.6Low176 Ų176147.1 Ų147.192%0.92179%0.786SS**  trans-12073.9148.4-68.3179.3000107.8
145D51.5Low52.3Low137 Ų137152.4 Ų152.473%0.73380%0.803SS**  trans-153.8141.8163.1-139.742.4000107.6
146D51.3Low51.8Low131 Ų131149.9 Ų149.970%0.70180%0.799SS**  trans74.166.3162.5-45.9-38.8000119.4
147T57.1Low51.6Low143 Ų143150.5 Ų150.588%0.87780%0.798SS**  trans-132.997.8136.748.80000109
148E52.3Low51.2Low175 Ų175153.4 Ų153.482%0.81881%0.808SS**  trans-51.2143.2177.2-68.5-158.414200112.9H150E148-H150 PolarHBondContact O-N 2.91Å
149D52.4Low50.8Low146 Ų146160.9 Ų160.978%0.78182%0.817SS**  trans-52.289.8170.6-167.615.2000110.6R151D149-R151 PolarHBondContact O-N 3.12Å
150H58.5Low50.7Low176 Ų176161.7 Ų161.782%0.81585%0.845SS**  trans-69.581.3167.9-88.3-18.2000109.6E148 L152E148-H150 PolarHBondContact O-N 2.91Å; H150-L152 PolarHBondContact O-N 3.09Å; H150-L152 VanDerWaalsContact O-N 3.1Å
151R48.5Very low50.7Low222 Ų222161.5 Ų161.584%0.83884%0.844SS**  trans-62.6104167.3-169.6178.1-130.3167.13.4108.9D149D149-R151 PolarHBondContact O-N 3.12Å
152L47.7Very low50.7Low157 Ų157160.6 Ų160.682%0.82284%0.844SS**PPolyproline II helixtrans-57.2132.8176.2-68165.4000110.7H150H150-L152 PolarHBondContact O-N 3.09Å; H150-L152 VanDerWaalsContact O-N 3.1Å
153P49.4Very low50.6Low118 Ų118161 Ų16177%0.76685%0.846SS**PPolyproline II helixtrans-69.4143.4177.927.4-31.6000111.2
154G47.5Very low50.7Low63 Ų63159.1 Ų159.165%0.64985%0.846SS**PPolyproline II helixtrans-59.4138.2-178.300000112.9D156G154-D156 VanDerWaalsContact C-N 3.31Å; G154-D156 PolarHBondContact O-N 3.32Å
155N50.9Low50.7Low157 Ų157158.1 Ų158.184%0.8484%0.841SS**  trans-70.885.5168.4-77.1-15.5000109.3E157N155-E157 VanDerWaalsContact C-N 3.26Å; N155-E157 PolarHBondContact O-N 3.25Å
156D46.5Very low50.7Low152 Ų152159.5 Ų159.581%0.81385%0.849SS**  trans-85.174160.7-64.6-47.6000107.7G154 D158G154-D156 VanDerWaalsContact C-N 3.31Å; G154-D156 PolarHBondContact O-N 3.32Å; D156-D158 PolarHBondContact O-N 3.09Å
157E49.2Very low50.6Low175 Ų175161.5 Ų161.582%0.81886%0.859SS**  trans-92.593.2165-84.2-171.8164.300108.5N155 R159N155-E157 VanDerWaalsContact C-N 3.26Å; N155-E157 PolarHBondContact O-N 3.25Å; E157-R159 PolarHBondContact O-N 2.9Å
158D48.7Very low50.1Low162 Ų162162.9 Ų162.987%0.86686%0.858SS**  trans-43.1105.1162.2-72.1-48000110.5D156 A160D156-D158 PolarHBondContact O-N 3.09Å; D158-A160 PolarHBondContact O-N 3.11Å
159R48.3Very low49.9Very low246 Ų246161.9 Ų161.993%0.92886%0.861SS**  trans-92.499.5167.7-154.1172.4-168.5158.13.2107.7E157E157-R159 PolarHBondContact O-N 2.9Å
160A51.7Low49.7Very low169 Ų169163.4 Ų163.4100%1.39787%0.868SS**  trans-50.50168.300000113.4D158D158-A160 PolarHBondContact O-N 3.11Å

Retrieved 160 of 160 residues in 31.6 ms (Link to these results)

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