A0A077ZNW0_TRITR Loading...

Ank 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZNW0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 155 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
1M65.8Low84.5Confident153 Ų15363.9 Ų63.975%0.75433%0.326SS*.  0122.60-172-179.9-69.900107.2V5 L6M1-V5 HydrophobicContact CG-CB 4.26Å; M1-V5 HydrophobicContact CG-CG1 4.19Å; M1-L6 HydrophobicContact CG-CB 4.49Å; M1-L6 HydrophobicContact SD-CB 4.13Å; M1-L6 HydrophobicContact SD-CD1 4.03Å
2D80.7Confident84.7Confident88 Ų8858.6 Ų58.647%0.47130%0.299SS..  trans-64144.5177-63.9-63.8000110.8N4 V5 L6D2-N4 PolarHBondContact O-N 3.25Å; D2-V5 HydrophobicContact CB-CG2 4.23Å; D2-V5 PolarHBondContact O-N 3.04Å; D2-V5 VanDerWaalsContact O-N 3.1Å; D2-L6 PolarHBondContact O-N 3.45Å
3E85.5Confident84.7Confident159 Ų15960.2 Ų60.274%0.74332%0.319SS*.Hα-helixtrans-57.5-34.3-180-175.1174.6-173.300112L6 T7E3-L6 PolarHBondContact O-N 2.97Å; E3-T7 PolarHBondContact O-N 3.2Å; E3-T7 PolarHBondContact O-OG1 3.31Å
4N86.5Confident84.7Confident67 Ų6768.1 Ų68.136%0.35834%0.344SS..Hα-helixtrans-61.7-48.2175.1-74.6-10.5000112.4D2 T7 I8 L28 Y31D2-N4 PolarHBondContact O-N 3.25Å; N4-T7 WeakPolarHBondContact O-CB 3.44Å; N4-T7 PolarHBondContact O-N 3.14Å; N4-I8 WeakPolarHBondContact O-CG1 3.47Å; N4-I8 PolarHBondContact O-N 3.15Å; N4-L28 HydrophobicContact CB-CD2 3.58Å; N4-L28 VanDerWaalsContact CG-CD2 3.47Å; N4-Y31 HydrophobicContact CB-CD2 4.38Å; N4-Y31 HydrophobicContact CB-CE2 4.07Å
5V85.8Confident84.5Confident0 Ų066.9 Ų66.90%036%0.355CS..Hα-helixtrans-65.7-42.6177.2177.50000110.2M1 D2 T7 I8 V9 Y31 W34M1-V5 HydrophobicContact CG-CB 4.26Å; M1-V5 HydrophobicContact CG-CG1 4.19Å; D2-V5 HydrophobicContact CB-CG2 4.23Å; D2-V5 PolarHBondContact O-N 3.04Å; D2-V5 VanDerWaalsContact O-N 3.1Å; V5-T7 VanDerWaalsContact C-N 3.27Å; V5-T7 PolarHBondContact O-N 3.31Å; V5-I8 PolarHBondContact O-N 3.35Å; V5-V9 HydrophobicContact CG1-CG2 4.33Å; V5-V9 WeakPolarHBondContact O-CG2 3.17Å; V5-V9 PolarHBondContact O-N 2.79Å; V5-Y31 HydrophobicContact CG2-CD1 3.45Å; V5-Y31 VanDerWaalsContact CG2-CD1 3.45Å; V5-Y31 HydrophobicContact CG2-CE1 4.13Å; V5-Y31 HydrophobicContact CG2-CG 4.13Å; V5-W34 HydrophobicContact CB-CD2 4.48Å; V5-W34 HydrophobicContact CG1-CD2 3.82Å; V5-W34 HydrophobicContact CG1-CE3 3.59Å; V5-W34 HydrophobicContact CG1-CH2 4.05Å; V5-W34 HydrophobicContact CG1-CZ2 4.28Å; V5-W34 HydrophobicContact CG1-CZ3 3.71Å; V5-W34 HydrophobicContact CG2-CB 4.41Å; V5-W34 HydrophobicContact CG2-CD2 3.85Å; V5-W34 HydrophobicContact CG2-CE3 4.46Å; V5-W34 HydrophobicContact CG2-CG 3.8Å
6L87.8Confident84.6Confident74 Ų7465.8 Ų65.839%0.38735%0.354SS..Hα-helixtrans-57.2-42.9176.1-179.961.7000111.5M1 D2 E3 I8 V9 Q10M1-L6 HydrophobicContact CG-CB 4.49Å; M1-L6 HydrophobicContact SD-CB 4.13Å; M1-L6 HydrophobicContact SD-CD1 4.03Å; D2-L6 PolarHBondContact O-N 3.45Å; E3-L6 PolarHBondContact O-N 2.97Å; L6-I8 PolarHBondContact O-N 3.36Å; L6-V9 PolarHBondContact O-N 3.1Å; L6-Q10 HydrophobicContact CD1-CG 4.24Å; L6-Q10 HydrophobicContact CG-CG 4.42Å; L6-Q10 WeakPolarHBondContact O-CB 3.42Å; L6-Q10 VanDerWaalsContact O-CG 3.25Å; L6-Q10 WeakPolarHBondContact O-CG 3.49Å; L6-Q10 PolarHBondContact O-N 3.22Å
7T89.2Confident84.7Confident50 Ų5064.4 Ų64.431%0.30735%0.349SS..Hα-helixtrans-60.4-43.3177.4-55.60000111.9E3 N4 V5 Q10 A11 L23E3-T7 PolarHBondContact O-N 3.2Å; E3-T7 PolarHBondContact O-OG1 3.31Å; N4-T7 WeakPolarHBondContact O-CB 3.44Å; N4-T7 PolarHBondContact O-N 3.14Å; V5-T7 VanDerWaalsContact C-N 3.27Å; V5-T7 PolarHBondContact O-N 3.31Å; T7-Q10 PolarHBondContact O-N 2.62Å; T7-A11 PolarHBondContact O-N 3.08Å; T7-L23 HydrophobicContact CG2-CD1 4.04Å; T7-L23 HydrophobicContact CG2-CD2 4.24Å
8I87.2Confident84.9Confident0 Ų068.2 Ų68.20%037%0.369CS..Hα-helixtrans-64.4-47.7177.6-62168.7000110.7N4 V5 L6 Q10 A11 M12 L20 L28 I42N4-I8 WeakPolarHBondContact O-CG1 3.47Å; N4-I8 PolarHBondContact O-N 3.15Å; V5-I8 PolarHBondContact O-N 3.35Å; L6-I8 PolarHBondContact O-N 3.36Å; I8-Q10 VanDerWaalsContact C-N 3.29Å; I8-Q10 PolarHBondContact O-N 3.4Å; I8-A11 WeakPolarHBondContact O-CB 3.41Å; I8-A11 PolarHBondContact O-N 3.46Å; I8-M12 HydrophobicContact CG2-SD 4.16Å; I8-M12 WeakPolarHBondContact O-CG 3.25Å; I8-M12 PolarHBondContact O-N 3.17Å; I8-M12 VanDerWaalsContact O-N 3.1Å; I8-L20 HydrophobicContact CG2-CD1 3.7Å; I8-L28 HydrophobicContact CD1-CB 4.07Å; I8-L28 HydrophobicContact CG1-CD1 4.25Å; I8-I42 HydrophobicContact CB-CD1 4.43Å; I8-I42 HydrophobicContact CD1-CD1 4.06Å; I8-I42 HydrophobicContact CG2-CD1 3.89Å; I8-I42 HydrophobicContact CG2-CG2 3.93Å
9V86Confident85Confident29 Ų2968.6 Ų68.618%0.17637%0.37CS..Hα-helixtrans-63.9-35.8179.2174.90000111.5V5 L6 M12 S13 L45V5-V9 HydrophobicContact CG1-CG2 4.33Å; V5-V9 WeakPolarHBondContact O-CG2 3.17Å; V5-V9 PolarHBondContact O-N 2.79Å; L6-V9 PolarHBondContact O-N 3.1Å; V9-M12 PolarHBondContact O-N 2.99Å; V9-S13 WeakPolarHBondContact O-CB 3.35Å; V9-S13 PolarHBondContact O-N 3.29Å; V9-S13 PolarHBondContact O-OG 3.11Å; V9-L45 HydrophobicContact CG2-CD1 3.9Å
10Q87.1Confident85.2Confident82 Ų8265.2 Ų65.238%0.38335%0.352SS..Hα-helixtrans-64.6-46.6173.6-78.5175.7-23.900111.6L6 T7 I8 M12 S13 Y14L6-Q10 HydrophobicContact CD1-CG 4.24Å; L6-Q10 HydrophobicContact CG-CG 4.42Å; L6-Q10 WeakPolarHBondContact O-CB 3.42Å; L6-Q10 VanDerWaalsContact O-CG 3.25Å; L6-Q10 WeakPolarHBondContact O-CG 3.49Å; L6-Q10 PolarHBondContact O-N 3.22Å; T7-Q10 PolarHBondContact O-N 2.62Å; I8-Q10 VanDerWaalsContact C-N 3.29Å; I8-Q10 PolarHBondContact O-N 3.4Å; Q10-M12 PolarHBondContact O-N 3.41Å; Q10-S13 PolarHBondContact O-N 3.35Å; Q10-Y14 HydrophobicContact CB-CD2 4.43Å; Q10-Y14 HydrophobicContact CB-CE2 4.08Å; Q10-Y14 WeakPolarHBondContact O-CD2 3.48Å; Q10-Y14 PolarHBondContact O-N 2.92Å
11A88.3Confident85.3Confident1 Ų163.7 Ų63.71%0.00835%0.346CS..Hα-helixtrans-56-39.8176.300000112T7 I8 Y14 G15 S16 L19 L20 L23T7-A11 PolarHBondContact O-N 3.08Å; I8-A11 WeakPolarHBondContact O-CB 3.41Å; I8-A11 PolarHBondContact O-N 3.46Å; A11-Y14 PolarHBondContact O-N 3.35Å; A11-G15 PolarHBondContact O-N 3.35Å; A11-S16 PolarHBondContact O-N 2.86Å; A11-L19 HydrophobicContact CB-CB 4.42Å; A11-L19 HydrophobicContact CB-CD2 3.76Å; A11-L19 HydrophobicContact CB-CG 3.87Å; A11-L20 HydrophobicContact CB-CB 4.45Å; A11-L23 HydrophobicContact CB-CD1 3.89Å
12M86.2Confident86.4Confident0 Ų061.9 Ų61.90%034%0.34CS..Hα-helixtrans-68.5-41.5175.2-6416759.500112.9I8 V9 Q10 Y14 G15 L20 I42 L45 A46 I49 C54 L58I8-M12 HydrophobicContact CG2-SD 4.16Å; I8-M12 WeakPolarHBondContact O-CG 3.25Å; I8-M12 PolarHBondContact O-N 3.17Å; I8-M12 VanDerWaalsContact O-N 3.1Å; V9-M12 PolarHBondContact O-N 2.99Å; Q10-M12 PolarHBondContact O-N 3.41Å; M12-Y14 VanDerWaalsContact C-N 3.26Å; M12-Y14 PolarHBondContact O-N 2.95Å; M12-G15 PolarHBondContact O-N 3.42Å; M12-L20 HydrophobicContact CG-CD1 4Å; M12-L20 HydrophobicContact CG-CD2 3.87Å; M12-I42 HydrophobicContact CE-CG2 4.05Å; M12-I42 WeakPolarHBondContact CE-O 3.36Å; M12-I42 HydrophobicContact SD-CG2 3.35Å; M12-I42 WeakPolarHBondContact SD-CG2 3.39Å; M12-L45 HydrophobicContact CE-CB 4.5Å; M12-A46 HydrophobicContact CE-CB 3.19Å; M12-A46 VanDerWaalsContact CE-N 3.31Å; M12-I49 HydrophobicContact CB-CD1 3.99Å; M12-I49 HydrophobicContact CE-CD1 4.35Å; M12-C54 HydrophobicContact CG-CB 4.18Å; M12-L58 HydrophobicContact CE-CD1 3.91Å; M12-L58 HydrophobicContact SD-CD1 4.19Å
13S85.1Confident86.7Confident80 Ų8058.9 Ų58.956%0.55932%0.324SS*.Hα-helixtrans-64.8-32.1177.7-59.90000112.1V9 Q10 G15V9-S13 WeakPolarHBondContact O-CB 3.35Å; V9-S13 PolarHBondContact O-N 3.29Å; V9-S13 PolarHBondContact O-OG 3.11Å; Q10-S13 PolarHBondContact O-N 3.35Å; S13-G15 PolarHBondContact O-N 3.44Å
14Y85.2Confident86.6Confident171 Ų17151.6 Ų51.667%0.67129%0.289SS*.THydrogen-bonded Turntrans-79-4.3171.8-64.2-52.4000113.5Q10 A11 M12 S16Q10-Y14 HydrophobicContact CB-CD2 4.43Å; Q10-Y14 HydrophobicContact CB-CE2 4.08Å; Q10-Y14 WeakPolarHBondContact O-CD2 3.48Å; Q10-Y14 PolarHBondContact O-N 2.92Å; A11-Y14 PolarHBondContact O-N 3.35Å; M12-Y14 VanDerWaalsContact C-N 3.26Å; M12-Y14 PolarHBondContact O-N 2.95Å; Y14-S16 PolarHBondContact O-N 3Å
15G81.2Confident86.6Confident50 Ų5056.2 Ų56.252%0.51531%0.309SS..THydrogen-bonded Turntrans62.819.8-175.900000113.7A11 M12 S13 V17A11-G15 PolarHBondContact O-N 3.35Å; M12-G15 PolarHBondContact O-N 3.42Å; S13-G15 PolarHBondContact O-N 3.44Å; G15-V17 PolarHBondContact O-N 3.23Å; G15-V17 VanDerWaalsContact O-N 3.16Å
16S86.6Confident86.7Confident48 Ų4858.7 Ų58.734%0.33633%0.326SS..  trans-86.486.4-174.7-640000110.3A11 Y14 D18 L19 L20A11-S16 PolarHBondContact O-N 2.86Å; Y14-S16 PolarHBondContact O-N 3Å; S16-D18 VanDerWaalsContact C-N 3.3Å; S16-D18 PolarHBondContact O-N 3.14Å; S16-L19 PolarHBondContact O-N 3.02Å; S16-L20 PolarHBondContact O-N 2.72Å
17V86.5Confident86.4Confident43 Ų4362.2 Ų62.226%0.26135%0.345SS..Hα-helixtrans-62.7-36.9-178.9-1760000112G15 L20 S21 A53 A57G15-V17 PolarHBondContact O-N 3.23Å; G15-V17 VanDerWaalsContact O-N 3.16Å; V17-L20 PolarHBondContact O-N 2.97Å; V17-S21 VanDerWaalsContact O-CB 3.3Å; V17-S21 WeakPolarHBondContact O-CB 3.09Å; V17-S21 PolarHBondContact O-N 3.38Å; V17-S21 PolarHBondContact O-OG 2.87Å; V17-A53 HydrophobicContact CG2-CB 3.5Å; V17-A53 VanDerWaalsContact CG2-CB 3.5Å; V17-A57 HydrophobicContact CG1-CB 4.08Å
18D87.4Confident86Confident132 Ų13260.8 Ų60.871%0.70634%0.336SS*.Hα-helixtrans-62.8-49.6178-58.9-45.2000110.4S16 L20 S21 D22S16-D18 VanDerWaalsContact C-N 3.3Å; S16-D18 PolarHBondContact O-N 3.14Å; D18-L20 VanDerWaalsContact C-N 3.35Å; D18-L20 PolarHBondContact O-N 3.21Å; D18-S21 PolarHBondContact O-N 3.1Å; D18-D22 PolarHBondContact O-N 3.18Å
19L87.6Confident85.9Confident77 Ų7766.3 Ų66.340%0.40336%0.36SS..Hα-helixtrans-60.2-45.4175.9178.660.9000111.1A11 S16 S21 D22 L23A11-L19 HydrophobicContact CB-CB 4.42Å; A11-L19 HydrophobicContact CB-CD2 3.76Å; A11-L19 HydrophobicContact CB-CG 3.87Å; S16-L19 PolarHBondContact O-N 3.02Å; L19-S21 VanDerWaalsContact C-N 3.32Å; L19-S21 PolarHBondContact O-N 3.18Å; L19-D22 PolarHBondContact O-N 2.86Å; L19-L23 HydrophobicContact CD1-CD1 4.2Å; L19-L23 HydrophobicContact CD1-CG 4.2Å; L19-L23 HydrophobicContact CG-CD1 4.01Å; L19-L23 HydrophobicContact CG-CG 4.44Å; L19-L23 WeakPolarHBondContact O-CB 3.18Å; L19-L23 WeakPolarHBondContact O-CG 3.41Å; L19-L23 PolarHBondContact O-N 3.43Å
20L87.9Confident85.9Confident0 Ų071.9 Ų71.90%038%0.384CS..Hα-helixtrans-60.7-43.9177.1-179.363.4000111.3I8 A11 M12 S16 V17 D18 L23 L24 C54 A57 L58I8-L20 HydrophobicContact CG2-CD1 3.7Å; A11-L20 HydrophobicContact CB-CB 4.45Å; M12-L20 HydrophobicContact CG-CD1 4Å; M12-L20 HydrophobicContact CG-CD2 3.87Å; S16-L20 PolarHBondContact O-N 2.72Å; V17-L20 PolarHBondContact O-N 2.97Å; D18-L20 VanDerWaalsContact C-N 3.35Å; D18-L20 PolarHBondContact O-N 3.21Å; L20-L23 PolarHBondContact O-N 3.37Å; L20-L24 HydrophobicContact CD1-CD1 4.13Å; L20-L24 HydrophobicContact CD1-CG 4.15Å; L20-L24 HydrophobicContact CD2-CD1 4.46Å; L20-L24 HydrophobicContact CG-CD1 3.84Å; L20-L24 HydrophobicContact CG-CG 4.27Å; L20-L24 WeakPolarHBondContact O-CB 3.06Å; L20-L24 WeakPolarHBondContact O-CG 3.18Å; L20-L24 PolarHBondContact O-N 3.07Å; L20-C54 HydrophobicContact CD2-CB 3.37Å; L20-A57 HydrophobicContact CD2-CB 4.32Å; L20-L58 HydrophobicContact CD1-CD2 4.44Å; L20-L58 HydrophobicContact CD2-CD2 4.48Å; L20-L58 HydrophobicContact CD2-CG 4.15Å
21S87.7Confident85.9Confident33 Ų3370.2 Ų70.223%0.23137%0.374CS..Hα-helixtrans-62.5-45.3178.6-58.60000110.8V17 D18 L19 L23 L24 H25V17-S21 VanDerWaalsContact O-CB 3.3Å; V17-S21 WeakPolarHBondContact O-CB 3.09Å; V17-S21 PolarHBondContact O-N 3.38Å; V17-S21 PolarHBondContact O-OG 2.87Å; D18-S21 PolarHBondContact O-N 3.1Å; L19-S21 VanDerWaalsContact C-N 3.32Å; L19-S21 PolarHBondContact O-N 3.18Å; S21-L23 VanDerWaalsContact C-N 3.32Å; S21-L23 PolarHBondContact O-N 2.93Å; S21-L24 PolarHBondContact O-N 2.92Å; S21-H25 PolarHBondContact O-N 2.91Å; S21-H25 PolarHBondContact O-ND1 3.26Å
22D88.2Confident85.8Confident115 Ų11570.5 Ų70.562%0.61538%0.375SS*.Hα-helixtrans-59.5-43.4176.1-72.3-16.9000111.6D18 L19 H25 S26D18-D22 PolarHBondContact O-N 3.18Å; L19-D22 PolarHBondContact O-N 2.86Å; D22-H25 PolarHBondContact O-N 2.79Å; D22-S26 PolarHBondContact O-N 3.42Å
23L87.3Confident85.9Confident26 Ų2674.4 Ų74.414%0.13640%0.397CS..Hα-helixtrans-63.3-42.6175.5-65.6170.4000111.1T7 A11 L19 L20 S21 H25 S26 L28T7-L23 HydrophobicContact CG2-CD1 4.04Å; T7-L23 HydrophobicContact CG2-CD2 4.24Å; A11-L23 HydrophobicContact CB-CD1 3.89Å; L19-L23 HydrophobicContact CD1-CD1 4.2Å; L19-L23 HydrophobicContact CD1-CG 4.2Å; L19-L23 HydrophobicContact CG-CD1 4.01Å; L19-L23 HydrophobicContact CG-CG 4.44Å; L19-L23 WeakPolarHBondContact O-CB 3.18Å; L19-L23 WeakPolarHBondContact O-CG 3.41Å; L19-L23 PolarHBondContact O-N 3.43Å; L20-L23 PolarHBondContact O-N 3.37Å; S21-L23 VanDerWaalsContact C-N 3.32Å; S21-L23 PolarHBondContact O-N 2.93Å; L23-H25 VanDerWaalsContact C-N 3.28Å; L23-H25 PolarHBondContact O-N 2.82Å; L23-S26 WeakPolarHBondContact O-CB 3.41Å; L23-S26 PolarHBondContact O-N 3.03Å; L23-S26 VanDerWaalsContact O-N 3.08Å; L23-S26 PolarHBondContact O-OG 3.49Å; L23-L28 HydrophobicContact CB-CD1 4.02Å; L23-L28 HydrophobicContact CD2-CD1 3.52Å; L23-L28 HydrophobicContact CG-CD1 4.24Å; L23-L28 WeakPolarHBondContact O-CB 3.33Å
24L84.5Confident86.2Confident5 Ų573.3 Ų73.33%0.02638%0.38CS..Hα-helixtrans-70.2-20.1179.9-69.3175.4000114.3L20 S21 K29 L32 L58 A61L20-L24 HydrophobicContact CD1-CD1 4.13Å; L20-L24 HydrophobicContact CD1-CG 4.15Å; L20-L24 HydrophobicContact CD2-CD1 4.46Å; L20-L24 HydrophobicContact CG-CD1 3.84Å; L20-L24 HydrophobicContact CG-CG 4.27Å; L20-L24 WeakPolarHBondContact O-CB 3.06Å; L20-L24 WeakPolarHBondContact O-CG 3.18Å; L20-L24 PolarHBondContact O-N 3.07Å; S21-L24 PolarHBondContact O-N 2.92Å; L24-K29 WeakPolarHBondContact O-CB 3.48Å; L24-L32 HydrophobicContact CD2-CD1 3.75Å; L24-L58 HydrophobicContact CD1-CD2 3.86Å; L24-L58 HydrophobicContact CD1-CG 4.38Å; L24-L58 HydrophobicContact CD2-CD2 4.09Å; L24-A61 HydrophobicContact CB-CB 4.1Å; L24-A61 HydrophobicContact CD1-CB 3.82Å; L24-A61 HydrophobicContact CD2-CB 4.42Å; L24-A61 HydrophobicContact CG-CB 4.34Å
25H85.9Confident86.5Confident165 Ų16569.5 Ų69.576%0.76437%0.368SS*.THydrogen-bonded Turntrans-88.7-6.7171.8-70.788.1000113.2S21 D22 L23S21-H25 PolarHBondContact O-N 2.91Å; S21-H25 PolarHBondContact O-ND1 3.26Å; D22-H25 PolarHBondContact O-N 2.79Å; L23-H25 VanDerWaalsContact C-N 3.28Å; L23-H25 PolarHBondContact O-N 2.82Å
26S87.4Confident86.9Confident51 Ų5169.4 Ų69.436%0.35736%0.356SS..SBendtrans-91.1-172175.980.30000112D22 L23 L28 K29D22-S26 PolarHBondContact O-N 3.42Å; L23-S26 WeakPolarHBondContact O-CB 3.41Å; L23-S26 PolarHBondContact O-N 3.03Å; L23-S26 VanDerWaalsContact O-N 3.08Å; L23-S26 PolarHBondContact O-OG 3.49Å; S26-L28 PolarHBondContact O-N 3.16Å; S26-L28 PolarHBondContact OG-N 3.49Å; S26-K29 PolarHBondContact O-N 3.3Å; S26-K29 VanDerWaalsContact O-N 3.15Å
27D81.6Confident87Confident149 Ų14976.6 Ų76.680%0.79739%0.385SS*.G310 helixtrans-57.8-18.7174-58.3-37.6000112.7K29 E30D27-K29 PolarHBondContact O-N 3.35Å; D27-K29 VanDerWaalsContact O-N 3.14Å; D27-E30 WeakPolarHBondContact O-CG 3.4Å; D27-E30 PolarHBondContact O-N 3.42Å
28L82.1Confident87.1Confident20 Ų2075.7 Ų75.711%0.10538%0.381CS..G310 helixtrans-68.9-8.3178-58.8-178.2000114.4N4 I8 L23 S26 E30 Y31N4-L28 HydrophobicContact CB-CD2 3.58Å; N4-L28 VanDerWaalsContact CG-CD2 3.47Å; I8-L28 HydrophobicContact CD1-CB 4.07Å; I8-L28 HydrophobicContact CG1-CD1 4.25Å; L23-L28 HydrophobicContact CB-CD1 4.02Å; L23-L28 HydrophobicContact CD2-CD1 3.52Å; L23-L28 HydrophobicContact CG-CD1 4.24Å; L23-L28 WeakPolarHBondContact O-CB 3.33Å; S26-L28 PolarHBondContact O-N 3.16Å; S26-L28 PolarHBondContact OG-N 3.49Å; L28-E30 PolarHBondContact O-N 3.2Å; L28-E30 VanDerWaalsContact O-N 3.14Å; L28-Y31 HydrophobicContact CD2-CD2 4.15Å; L28-Y31 HydrophobicContact CD2-CE2 4.23Å; L28-Y31 PolarHBondContact O-N 2.89Å
29K84.8Confident87.3Confident116 Ų11669.4 Ų69.450%0.50435%0.348SS..G310 helixtrans-55.2-29.5173.4-170.6171.2-179168.30112.8L24 S26 D27 Y31 L32 A61L24-K29 WeakPolarHBondContact O-CB 3.48Å; S26-K29 PolarHBondContact O-N 3.3Å; S26-K29 VanDerWaalsContact O-N 3.15Å; D27-K29 PolarHBondContact O-N 3.35Å; D27-K29 VanDerWaalsContact O-N 3.14Å; K29-Y31 PolarHBondContact O-N 3.15Å; K29-L32 WeakPolarHBondContact O-CB 3.3Å; K29-L32 PolarHBondContact O-N 3.45Å; K29-L32 VanDerWaalsContact O-N 3.11Å; K29-A61 VanDerWaalsContact CE-O 3.25Å; K29-A61 WeakPolarHBondContact CE-O 3.34Å; K29-A61 PolarHBondContact NZ-O 3.11Å
30E86.1Confident87.6Confident145 Ų14568.5 Ų68.568%0.67834%0.342SS*.G310 helixtrans-62.3-24.7177.472.5-175.7175.800113.2D27 L28 L32D27-E30 WeakPolarHBondContact O-CG 3.4Å; D27-E30 PolarHBondContact O-N 3.42Å; L28-E30 PolarHBondContact O-N 3.2Å; L28-E30 VanDerWaalsContact O-N 3.14Å; E30-L32 VanDerWaalsContact C-N 3.33Å
31Y86.6Confident87.8Confident47 Ų4768.6 Ų68.618%0.18434%0.342CS..G310 helixtrans-86.50.3178.1-62.5-89.8000113.3N4 V5 L28 K29 N33 W34 I42N4-Y31 HydrophobicContact CB-CD2 4.38Å; N4-Y31 HydrophobicContact CB-CE2 4.07Å; V5-Y31 HydrophobicContact CG2-CD1 3.45Å; V5-Y31 VanDerWaalsContact CG2-CD1 3.45Å; V5-Y31 HydrophobicContact CG2-CE1 4.13Å; V5-Y31 HydrophobicContact CG2-CG 4.13Å; L28-Y31 HydrophobicContact CD2-CD2 4.15Å; L28-Y31 HydrophobicContact CD2-CE2 4.23Å; L28-Y31 PolarHBondContact O-N 2.89Å; K29-Y31 PolarHBondContact O-N 3.15Å; Y31-N33 PolarHBondContact O-N 2.9Å; Y31-N33 VanDerWaalsContact O-N 3.15Å; Y31-W34 HydrophobicContact CD1-CB 4.47Å; Y31-W34 WeakPolarHBondContact O-CB 3.44Å; Y31-W34 PolarHBondContact O-N 2.8Å; Y31-I42 WeakPolarHBondContact O-CD1 3.5Å
32L86.9Confident88Confident7 Ų767 Ų674%0.03733%0.331CS..THydrogen-bonded Turntrans-54.9-38.5-175.2-176.557.4000113.4L24 K29 E30 L58 A61 G62 A63L24-L32 HydrophobicContact CD2-CD1 3.75Å; K29-L32 WeakPolarHBondContact O-CB 3.3Å; K29-L32 PolarHBondContact O-N 3.45Å; K29-L32 VanDerWaalsContact O-N 3.11Å; E30-L32 VanDerWaalsContact C-N 3.33Å; L32-L58 HydrophobicContact CD1-CB 4.43Å; L32-L58 HydrophobicContact CD1-CD2 3.53Å; L32-A61 HydrophobicContact CD1-CB 4.39Å; L32-A61 HydrophobicContact CD2-CB 3.89Å; L32-A61 WeakPolarHBondContact CD2-O 3.02Å; L32-G62 VanDerWaalsContact CD2-C 3.47Å; L32-A63 HydrophobicContact CD1-CB 3.83Å; L32-A63 HydrophobicContact CD2-CB 4.26Å; L32-A63 VanDerWaalsContact CD2-N 3.33Å; L32-A63 HydrophobicContact CG-CB 3.91Å
33N88.1Confident88.3Confident83 Ų8361.6 Ų61.644%0.44430%0.302SS..THydrogen-bonded Turntrans-104.117.1177.3-63.8-41.6000112.6Y31 D64Y31-N33 PolarHBondContact O-N 2.9Å; Y31-N33 VanDerWaalsContact O-N 3.15Å; N33-D64 PolarHBondContact OD1-N 3.11Å
34W91Very high88.6Confident56 Ų5660.4 Ų60.421%0.21230%0.296CS..  trans-56.8141170.9178.893.2000109.6V5 Y31 D36 T41V5-W34 HydrophobicContact CB-CD2 4.48Å; V5-W34 HydrophobicContact CG1-CD2 3.82Å; V5-W34 HydrophobicContact CG1-CE3 3.59Å; V5-W34 HydrophobicContact CG1-CH2 4.05Å; V5-W34 HydrophobicContact CG1-CZ2 4.28Å; V5-W34 HydrophobicContact CG1-CZ3 3.71Å; V5-W34 HydrophobicContact CG2-CB 4.41Å; V5-W34 HydrophobicContact CG2-CD2 3.85Å; V5-W34 HydrophobicContact CG2-CE3 4.46Å; V5-W34 HydrophobicContact CG2-CG 3.8Å; Y31-W34 HydrophobicContact CD1-CB 4.47Å; Y31-W34 WeakPolarHBondContact O-CB 3.44Å; Y31-W34 PolarHBondContact O-N 2.8Å; W34-D36 HydrophobicContact CH2-CB 3.39Å; W34-D36 HydrophobicContact CZ2-CB 4.35Å; W34-D36 HydrophobicContact CZ3-CB 3.61Å; W34-D36 VanDerWaalsContact CZ3-N 3.34Å; W34-T41 VanDerWaalsContact O-CA 3.26Å; W34-T41 WeakPolarHBondContact O-CA 3.49Å
35Q90.6Very high88.9Confident91 Ų9162.1 Ų62.143%0.42531%0.305SS..BIsolated β-bridgetrans-122142177.9-71.7177.7-16.400109.9Q40 T41Q35-Q40 WeakPolarHBondContact CA-O 3.33Å; Q35-T41 HydrophobicContact CG-CG2 3.51Å
36D90.2Very high89.2Confident48 Ų4854.2 Ų54.226%0.25727%0.268SS..  trans-77.4-175.4169.673.70.4000112.1W34 A38 G39 Q40W34-D36 HydrophobicContact CH2-CB 3.39Å; W34-D36 HydrophobicContact CZ2-CB 4.35Å; W34-D36 HydrophobicContact CZ3-CB 3.61Å; W34-D36 VanDerWaalsContact CZ3-N 3.34Å; D36-A38 PolarHBondContact O-N 3.02Å; D36-A38 VanDerWaalsContact O-N 3.11Å; D36-A38 WeakPolarHBondContact OD1-CA 3.42Å; D36-A38 WeakPolarHBondContact OD1-CB 3.36Å; D36-A38 PolarHBondContact OD1-N 3.32Å; D36-G39 PolarHBondContact O-N 2.97Å; D36-G39 PolarHBondContact OD1-N 3.09Å; D36-Q40 PolarHBondContact N-O 3.21Å; D36-Q40 VanDerWaalsContact N-O 3.09Å; D36-Q40 WeakPolarHBondContact OD1-CA 3.39Å; D36-Q40 WeakPolarHBondContact OD1-CB 3.25Å; D36-Q40 PolarHBondContact OD1-N 3.35Å
37E88.5Confident89.4Confident200 Ų20051.8 Ų51.894%0.93525%0.251SS*.THydrogen-bonded Turntrans-64.4-11.5178.9-63.1178.4-174.700114.1
38A89.6Confident89.8Confident23 Ų2345.8 Ų45.819%0.1922%0.222CC..THydrogen-bonded Turntrans-102.38.2174.700000112.2D36 Q40 D70 V73D36-A38 PolarHBondContact O-N 3.02Å; D36-A38 VanDerWaalsContact O-N 3.11Å; D36-A38 WeakPolarHBondContact OD1-CA 3.42Å; D36-A38 WeakPolarHBondContact OD1-CB 3.36Å; D36-A38 PolarHBondContact OD1-N 3.32Å; A38-Q40 HydrophobicContact CB-CG 4.08Å; A38-Q40 PolarHBondContact O-N 3.18Å; A38-D70 WeakPolarHBondContact O-CB 3.47Å; A38-D70 PolarHBondContact O-N 3.33Å; A38-V73 HydrophobicContact CB-CG1 3.88Å; A38-V73 HydrophobicContact CB-CG2 4.27Å; A38-V73 VanDerWaalsContact O-CG2 3.25Å; A38-V73 WeakPolarHBondContact O-CG2 3.26Å
39G92Very high90Very high1 Ų146.9 Ų46.91%0.0123%0.228CC..  trans72.710.7-175.200000113.4D36 T41D36-G39 PolarHBondContact O-N 2.97Å; D36-G39 PolarHBondContact OD1-N 3.09Å; G39-T41 PolarHBondContact O-N 2.95Å
40Q92.3Very high89.7Confident58 Ų5845.7 Ų45.727%0.27123%0.232SC..  trans-76.1115.8-179.5-56-162.8-48.600110.3Q35 D36 A38 H44 L45 T69Q35-Q40 WeakPolarHBondContact CA-O 3.33Å; D36-Q40 PolarHBondContact N-O 3.21Å; D36-Q40 VanDerWaalsContact N-O 3.09Å; D36-Q40 WeakPolarHBondContact OD1-CA 3.39Å; D36-Q40 WeakPolarHBondContact OD1-CB 3.25Å; D36-Q40 PolarHBondContact OD1-N 3.35Å; A38-Q40 HydrophobicContact CB-CG 4.08Å; A38-Q40 PolarHBondContact O-N 3.18Å; Q40-H44 HydrophobicContact CB-CB 4.2Å; Q40-L45 HydrophobicContact CB-CD2 4.47Å; Q40-T69 HydrophobicContact CG-CG2 3.92Å
41T93.1Very high89Confident2 Ų241.7 Ų41.71%0.01223%0.23CC..BIsolated β-bridgetrans-72.1163.1170.767.50000112.1W34 Q35 G39 L43 H44 L45 A67W34-T41 VanDerWaalsContact O-CA 3.26Å; W34-T41 WeakPolarHBondContact O-CA 3.49Å; Q35-T41 HydrophobicContact CG-CG2 3.51Å; G39-T41 PolarHBondContact O-N 2.95Å; T41-L43 PolarHBondContact O-N 3.17Å; T41-L43 PolarHBondContact OG1-N 3.25Å; T41-H44 PolarHBondContact N-ND1 3.45Å; T41-H44 VanDerWaalsContact N-ND1 3.11Å; T41-H44 WeakPolarHBondContact O-CB 3.26Å; T41-H44 PolarHBondContact O-N 2.9Å; T41-H44 PolarHBondContact OG1-N 2.94Å; T41-H44 PolarHBondContact OG1-ND1 3.4Å; T41-L45 PolarHBondContact O-N 3.47Å; T41-A67 HydrophobicContact CG2-CB 3.66Å
42I91.6Very high88.1Confident0 Ų040.1 Ų40.10%023%0.226CC..Hα-helixtrans-52-38.9170.6-58.9-174.2000111I8 M12 Y31 H44 L45 A46 L58I8-I42 HydrophobicContact CB-CD1 4.43Å; I8-I42 HydrophobicContact CD1-CD1 4.06Å; I8-I42 HydrophobicContact CG2-CD1 3.89Å; I8-I42 HydrophobicContact CG2-CG2 3.93Å; M12-I42 HydrophobicContact CE-CG2 4.05Å; M12-I42 WeakPolarHBondContact CE-O 3.36Å; M12-I42 HydrophobicContact SD-CG2 3.35Å; M12-I42 WeakPolarHBondContact SD-CG2 3.39Å; Y31-I42 WeakPolarHBondContact O-CD1 3.5Å; I42-H44 PolarHBondContact O-N 3.41Å; I42-L45 WeakPolarHBondContact O-CB 3.45Å; I42-L45 PolarHBondContact O-N 3.38Å; I42-A46 PolarHBondContact O-N 3.28Å; I42-L58 HydrophobicContact CG2-CD1 3.98Å; I42-L58 HydrophobicContact CG2-CD2 3.76Å
43L94Very high87.9Confident1 Ų142.6 Ų42.61%0.00525%0.247CC..Hα-helixtrans-63.9-38.5176.2-173.862.2000112.9T41 L45 A46 C47 V55 L58 L59 A63 D64 P78 L94T41-L43 PolarHBondContact O-N 3.17Å; T41-L43 PolarHBondContact OG1-N 3.25Å; L43-L45 VanDerWaalsContact C-N 3.33Å; L43-L45 PolarHBondContact O-N 2.95Å; L43-A46 WeakPolarHBondContact O-CB 3.46Å; L43-A46 PolarHBondContact O-N 3.35Å; L43-C47 PolarHBondContact O-N 3.4Å; L43-C47 PolarHBondContact O-SG 2.74Å; L43-V55 HydrophobicContact CD1-CG1 4.03Å; L43-L58 HydrophobicContact CD1-CB 4.1Å; L43-L58 HydrophobicContact CD1-CD1 4.33Å; L43-L59 HydrophobicContact CD1-CD2 4.29Å; L43-L59 HydrophobicContact CD1-CG 4.18Å; L43-L59 HydrophobicContact CD2-CD2 3.76Å; L43-A63 HydrophobicContact CB-CB 4.38Å; L43-A63 HydrophobicContact CD2-CB 4.15Å; L43-D64 WeakPolarHBondContact CD2-O 3.14Å; L43-P78 HydrophobicContact CD2-CB 4.07Å; L43-P78 HydrophobicContact CD2-CG 3.75Å; L43-P78 HydrophobicContact CG-CB 4.01Å; L43-P78 HydrophobicContact CG-CG 3.97Å; L43-L94 HydrophobicContact CD2-CD2 4.05Å; L43-L94 HydrophobicContact CG-CD2 4.48Å
44H93.5Very high87.9Confident0 Ų038.7 Ų38.70%023%0.226CC..Hα-helixtrans-60.6-43.8173.9-70.599.9000111.6Q40 T41 I42 A46 C47 A48 A67 K76 P78 I81Q40-H44 HydrophobicContact CB-CB 4.2Å; T41-H44 PolarHBondContact N-ND1 3.45Å; T41-H44 VanDerWaalsContact N-ND1 3.11Å; T41-H44 WeakPolarHBondContact O-CB 3.26Å; T41-H44 PolarHBondContact O-N 2.9Å; T41-H44 PolarHBondContact OG1-N 2.94Å; T41-H44 PolarHBondContact OG1-ND1 3.4Å; I42-H44 PolarHBondContact O-N 3.41Å; H44-A46 VanDerWaalsContact C-N 3.33Å; H44-C47 PolarHBondContact O-N 3.34Å; H44-A48 PolarHBondContact O-N 3.12Å; H44-A67 PolarHBondContact NE2-O 2.99Å; H44-K76 PolarHBondContact NE2-O 3.01Å; H44-P78 VanDerWaalsContact NE2-CD 3.31Å; H44-P78 WeakPolarHBondContact NE2-CD 3.35Å; H44-I81 HydrophobicContact CB-CD1 3.68Å; H44-I81 VanDerWaalsContact CD2-CD1 3.46Å; H44-I81 WeakPolarHBondContact CD2-CD1 3.33Å
45L91.2Very high87.9Confident41 Ų4136 Ų3622%0.21522%0.216CC..Hα-helixtrans-63.2-40.9175.7-58.6177.3000111V9 M12 Q40 T41 I42 L43 C47 A48 I49V9-L45 HydrophobicContact CG2-CD1 3.9Å; M12-L45 HydrophobicContact CE-CB 4.5Å; Q40-L45 HydrophobicContact CB-CD2 4.47Å; T41-L45 PolarHBondContact O-N 3.47Å; I42-L45 WeakPolarHBondContact O-CB 3.45Å; I42-L45 PolarHBondContact O-N 3.38Å; L43-L45 VanDerWaalsContact C-N 3.33Å; L43-L45 PolarHBondContact O-N 2.95Å; L45-C47 PolarHBondContact O-N 3.12Å; L45-A48 WeakPolarHBondContact O-CB 3.31Å; L45-A48 PolarHBondContact O-N 3Å; L45-A48 VanDerWaalsContact O-N 3.12Å; L45-I49 WeakPolarHBondContact O-CG1 3.5Å; L45-I49 PolarHBondContact O-N 2.96Å
46A91.8Very high88Confident0 Ų034.8 Ų34.80%021%0.21CC..Hα-helixtrans-59.5-45.4177.400000112.5M12 I42 L43 H44 A48 I49 S52 V55 L58M12-A46 HydrophobicContact CE-CB 3.19Å; M12-A46 VanDerWaalsContact CE-N 3.31Å; I42-A46 PolarHBondContact O-N 3.28Å; L43-A46 WeakPolarHBondContact O-CB 3.46Å; L43-A46 PolarHBondContact O-N 3.35Å; H44-A46 VanDerWaalsContact C-N 3.33Å; A46-A48 PolarHBondContact O-N 2.79Å; A46-I49 PolarHBondContact O-N 3.29Å; A46-I49 VanDerWaalsContact O-N 3.09Å; A46-S52 VanDerWaalsContact O-CB 3.22Å; A46-S52 WeakPolarHBondContact O-CB 3.39Å; A46-S52 PolarHBondContact O-OG 3.11Å; A46-S52 VanDerWaalsContact O-OG 3.11Å; A46-V55 HydrophobicContact CB-CG2 3.72Å; A46-L58 HydrophobicContact CB-CD1 3.43Å; A46-L58 VanDerWaalsContact CB-CD1 3.43Å
47C92.8Very high87.9Confident0 Ų033 Ų330%020%0.203CC..Hα-helixtrans-68.9-18.5179.1-690000112.8L43 H44 L45 I81L43-C47 PolarHBondContact O-N 3.4Å; L43-C47 PolarHBondContact O-SG 2.74Å; H44-C47 PolarHBondContact O-N 3.34Å; L45-C47 PolarHBondContact O-N 3.12Å; C47-I81 HydrophobicContact CB-CB 4.36Å; C47-I81 HydrophobicContact CB-CG2 4.2Å
48A89.5Confident88.1Confident22 Ų2223.5 Ų23.518%0.18216%0.158CC..Hα-helixtrans-80-24.8172.100000111.9H44 L45 A46 P50 I81 R85H44-A48 PolarHBondContact O-N 3.12Å; L45-A48 WeakPolarHBondContact O-CB 3.31Å; L45-A48 PolarHBondContact O-N 3Å; L45-A48 VanDerWaalsContact O-N 3.12Å; A46-A48 PolarHBondContact O-N 2.79Å; A48-P50 WeakPolarHBondContact O-CD 3.36Å; A48-I81 HydrophobicContact CB-CG2 4.05Å; A48-R85 VanDerWaalsContact O-CD 3.31Å; A48-R85 WeakPolarHBondContact O-CD 3.48Å; A48-R85 PolarHBondContact O-NH1 3.3Å
49I86.1Confident88.3Confident44 Ų4422.9 Ų22.923%0.22615%0.151CC..SBendtrans-83.6126.8-175.7-63164.1000109.9M12 L45 A46 S52M12-I49 HydrophobicContact CB-CD1 3.99Å; M12-I49 HydrophobicContact CE-CD1 4.35Å; L45-I49 WeakPolarHBondContact O-CG1 3.5Å; L45-I49 PolarHBondContact O-N 2.96Å; A46-I49 PolarHBondContact O-N 3.29Å; A46-I49 VanDerWaalsContact O-N 3.09Å; I49-S52 WeakPolarHBondContact O-CB 3.48Å
50P78.9Confident88.2Confident90 Ų9027.8 Ų27.858%0.58418%0.178SC*.THydrogen-bonded Turntrans-63.1139.3178.2-24.534.9000114.1A48 S52 E87A48-P50 WeakPolarHBondContact O-CD 3.36Å; P50-S52 PolarHBondContact O-N 3.27Å; P50-E87 VanDerWaalsContact CA-OE1 3.26Å; P50-E87 WeakPolarHBondContact CA-OE1 3.2Å; P50-E87 WeakPolarHBondContact CA-OE2 3.42Å; P50-E87 WeakPolarHBondContact CB-OE1 3.25Å
51G71.7Confident88.1Confident62 Ų6225.9 Ų25.964%0.63917%0.171SC*.THydrogen-bonded Turntrans67.322.8176.700000113.8A53 E87G51-A53 PolarHBondContact O-N 3.44Å; G51-E87 PolarHBondContact N-OE2 3.36Å
52S66.8Low87.9Confident14 Ų1428.1 Ų28.110%0.09820%0.195CC..  trans-7386.5-172.9-178.60000111.9A46 I49 P50 C54 V55A46-S52 VanDerWaalsContact O-CB 3.22Å; A46-S52 WeakPolarHBondContact O-CB 3.39Å; A46-S52 PolarHBondContact O-OG 3.11Å; A46-S52 VanDerWaalsContact O-OG 3.11Å; I49-S52 WeakPolarHBondContact O-CB 3.48Å; P50-S52 PolarHBondContact O-N 3.27Å; S52-C54 PolarHBondContact O-N 2.98Å; S52-C54 VanDerWaalsContact O-N 3.12Å; S52-C54 WeakPolarHBondContact OG-CB 3.45Å; S52-V55 PolarHBondContact O-N 3.22Å; S52-V55 VanDerWaalsContact O-N 3.1Å; S52-V55 PolarHBondContact OG-N 3.35Å
53A81.7Confident88Confident58 Ų5828.6 Ų28.648%0.47920%0.199SC..THydrogen-bonded Turntrans-58.9-14.1161.200000112.1V17 G51 V55 Q56 A57V17-A53 HydrophobicContact CG2-CB 3.5Å; V17-A53 VanDerWaalsContact CG2-CB 3.5Å; G51-A53 PolarHBondContact O-N 3.44Å; A53-V55 VanDerWaalsContact C-N 3.27Å; A53-V55 PolarHBondContact O-N 3.38Å; A53-Q56 PolarHBondContact O-N 2.97Å; A53-A57 PolarHBondContact O-N 3.41Å
54C88.1Confident88Confident1 Ų132.3 Ų32.31%0.00722%0.219CC..Hα-helixtrans-63.3-29.6172-60.40000112.9M12 L20 S52 Q56 A57 L58M12-C54 HydrophobicContact CG-CB 4.18Å; L20-C54 HydrophobicContact CD2-CB 3.37Å; S52-C54 PolarHBondContact O-N 2.98Å; S52-C54 VanDerWaalsContact O-N 3.12Å; S52-C54 WeakPolarHBondContact OG-CB 3.45Å; C54-Q56 VanDerWaalsContact C-N 3.29Å; C54-Q56 PolarHBondContact O-N 2.99Å; C54-A57 PolarHBondContact O-N 3.03Å; C54-L58 VanDerWaalsContact O-CG 3.31Å; C54-L58 WeakPolarHBondContact O-CG 3.46Å; C54-L58 PolarHBondContact O-N 3.21Å
55V92.8Very high88.1Confident1 Ų133.1 Ų33.11%0.00622%0.224CC..Hα-helixtrans-58.1-45.3176.5174.50000110.5L43 A46 S52 A53 L58 L59 A90 A93 L94L43-V55 HydrophobicContact CD1-CG1 4.03Å; A46-V55 HydrophobicContact CB-CG2 3.72Å; S52-V55 PolarHBondContact O-N 3.22Å; S52-V55 VanDerWaalsContact O-N 3.1Å; S52-V55 PolarHBondContact OG-N 3.35Å; A53-V55 VanDerWaalsContact C-N 3.27Å; A53-V55 PolarHBondContact O-N 3.38Å; V55-L58 PolarHBondContact O-N 3.27Å; V55-L59 HydrophobicContact CG1-CD1 3.83Å; V55-L59 HydrophobicContact CG1-CG 4.48Å; V55-L59 VanDerWaalsContact O-CG 3.25Å; V55-L59 WeakPolarHBondContact O-CG 3.15Å; V55-L59 PolarHBondContact O-N 3.42Å; V55-A90 HydrophobicContact CB-CB 4.47Å; V55-A90 HydrophobicContact CG1-CB 4.3Å; V55-A90 HydrophobicContact CG2-CB 3.97Å; V55-A93 HydrophobicContact CG1-CB 4.09Å; V55-L94 HydrophobicContact CG1-CG 4.38Å
56Q91.2Very high88.3Confident64 Ų6434.5 Ų34.530%0.29923%0.231SC..Hα-helixtrans-63.2-47178.9-177.964.343.500110.9A53 C54 L58 L59 D60 H97A53-Q56 PolarHBondContact O-N 2.97Å; C54-Q56 VanDerWaalsContact C-N 3.29Å; C54-Q56 PolarHBondContact O-N 2.99Å; Q56-L58 VanDerWaalsContact C-N 3.34Å; Q56-L58 PolarHBondContact O-N 2.98Å; Q56-L59 PolarHBondContact O-N 2.98Å; Q56-D60 VanDerWaalsContact NE2-CG 3.32Å; Q56-D60 PolarHBondContact NE2-OD1 2.87Å; Q56-D60 PolarHBondContact NE2-OD2 3.47Å; Q56-D60 WeakPolarHBondContact O-CB 3.45Å; Q56-D60 VanDerWaalsContact O-CG 3.25Å; Q56-D60 PolarHBondContact O-N 3Å; Q56-H97 PolarHBondContact NE2-CE1 3.22Å
57A89.6Confident88.4Confident12 Ų1234.7 Ų34.710%0.09923%0.233CC..Hα-helixtrans-61.3-38.9178.400000113.1V17 L20 A53 C54 A61V17-A57 HydrophobicContact CG1-CB 4.08Å; L20-A57 HydrophobicContact CD2-CB 4.32Å; A53-A57 PolarHBondContact O-N 3.41Å; C54-A57 PolarHBondContact O-N 3.03Å; A57-A61 WeakPolarHBondContact O-CB 3.46Å; A57-A61 PolarHBondContact O-N 3.35Å
58L92Very high88.5Confident0 Ų037.4 Ų37.40%025%0.252CS..Hα-helixtrans-66.2-42.5175.9-71.3164.3000111.8M12 L20 L24 L32 I42 L43 A46 C54 V55 Q56 A61 G62 A63M12-L58 HydrophobicContact CE-CD1 3.91Å; M12-L58 HydrophobicContact SD-CD1 4.19Å; L20-L58 HydrophobicContact CD1-CD2 4.44Å; L20-L58 HydrophobicContact CD2-CD2 4.48Å; L20-L58 HydrophobicContact CD2-CG 4.15Å; L24-L58 HydrophobicContact CD1-CD2 3.86Å; L24-L58 HydrophobicContact CD1-CG 4.38Å; L24-L58 HydrophobicContact CD2-CD2 4.09Å; L32-L58 HydrophobicContact CD1-CB 4.43Å; L32-L58 HydrophobicContact CD1-CD2 3.53Å; I42-L58 HydrophobicContact CG2-CD1 3.98Å; I42-L58 HydrophobicContact CG2-CD2 3.76Å; L43-L58 HydrophobicContact CD1-CB 4.1Å; L43-L58 HydrophobicContact CD1-CD1 4.33Å; A46-L58 HydrophobicContact CB-CD1 3.43Å; A46-L58 VanDerWaalsContact CB-CD1 3.43Å; C54-L58 VanDerWaalsContact O-CG 3.31Å; C54-L58 WeakPolarHBondContact O-CG 3.46Å; C54-L58 PolarHBondContact O-N 3.21Å; V55-L58 PolarHBondContact O-N 3.27Å; Q56-L58 VanDerWaalsContact C-N 3.34Å; Q56-L58 PolarHBondContact O-N 2.98Å; L58-A61 PolarHBondContact O-N 3.09Å; L58-G62 PolarHBondContact O-N 3.49Å; L58-A63 HydrophobicContact CB-CB 4.19Å; L58-A63 WeakPolarHBondContact O-CB 3.22Å; L58-A63 PolarHBondContact O-N 3.41Å
59L93.1Very high88.7Confident9 Ų936.7 Ų36.75%0.04725%0.246CC..Hα-helixtrans-65.6-42.9177.2-70.3169.1000111.6L43 V55 Q56 A61 G62 V65 A93 L94 H97L43-L59 HydrophobicContact CD1-CD2 4.29Å; L43-L59 HydrophobicContact CD1-CG 4.18Å; L43-L59 HydrophobicContact CD2-CD2 3.76Å; V55-L59 HydrophobicContact CG1-CD1 3.83Å; V55-L59 HydrophobicContact CG1-CG 4.48Å; V55-L59 VanDerWaalsContact O-CG 3.25Å; V55-L59 WeakPolarHBondContact O-CG 3.15Å; V55-L59 PolarHBondContact O-N 3.42Å; Q56-L59 PolarHBondContact O-N 2.98Å; L59-A61 PolarHBondContact O-N 3.33Å; L59-G62 WeakPolarHBondContact O-CA 3.25Å; L59-G62 PolarHBondContact O-N 3.48Å; L59-V65 HydrophobicContact CD2-CB 3.87Å; L59-V65 HydrophobicContact CD2-CG2 3.9Å; L59-A93 HydrophobicContact CD1-CB 3.93Å; L59-L94 HydrophobicContact CD1-CD2 4.05Å; L59-L94 HydrophobicContact CD1-CG 4.43Å; L59-L94 HydrophobicContact CD2-CD2 4.11Å; L59-H97 HydrophobicContact CD1-CB 4.3Å; L59-H97 HydrophobicContact CD2-CB 4.12Å
60D90.4Very high89Confident105 Ų10537.9 Ų37.956%0.56125%0.252SS*.Hα-helixtrans-63.8-31.2176.2-69.2-31.1000111.8Q56 G62 H97Q56-D60 VanDerWaalsContact NE2-CG 3.32Å; Q56-D60 PolarHBondContact NE2-OD1 2.87Å; Q56-D60 PolarHBondContact NE2-OD2 3.47Å; Q56-D60 WeakPolarHBondContact O-CB 3.45Å; Q56-D60 VanDerWaalsContact O-CG 3.25Å; Q56-D60 PolarHBondContact O-N 3Å; D60-G62 PolarHBondContact O-N 3.1Å; D60-H97 IonicContact OD1-CE1 4Å; D60-H97 IonicContact OD1-NE2 3.84Å; D60-H97 PolarHBondContact OD1-NE2 3Å
61A89.5Confident89.4Confident17 Ų1741.7 Ų41.714%0.1426%0.262CS..THydrogen-bonded Turntrans-73.2-11.9173.600000113.9L24 K29 L32 A57 L58 L59L24-A61 HydrophobicContact CB-CB 4.1Å; L24-A61 HydrophobicContact CD1-CB 3.82Å; L24-A61 HydrophobicContact CD2-CB 4.42Å; L24-A61 HydrophobicContact CG-CB 4.34Å; K29-A61 VanDerWaalsContact CE-O 3.25Å; K29-A61 WeakPolarHBondContact CE-O 3.34Å; K29-A61 PolarHBondContact NZ-O 3.11Å; L32-A61 HydrophobicContact CD1-CB 4.39Å; L32-A61 HydrophobicContact CD2-CB 3.89Å; L32-A61 WeakPolarHBondContact CD2-O 3.02Å; A57-A61 WeakPolarHBondContact O-CB 3.46Å; A57-A61 PolarHBondContact O-N 3.35Å; L58-A61 PolarHBondContact O-N 3.09Å; L59-A61 PolarHBondContact O-N 3.33Å
62G90.5Very high90.1Very high49 Ų4943.9 Ų43.951%0.50527%0.267SS..THydrogen-bonded Turntrans98.628.3179.400000114.8L32 L58 L59 D60L32-G62 VanDerWaalsContact CD2-C 3.47Å; L58-G62 PolarHBondContact O-N 3.49Å; L59-G62 WeakPolarHBondContact O-CA 3.25Å; L59-G62 PolarHBondContact O-N 3.48Å; D60-G62 PolarHBondContact O-N 3.1Å
63A92.4Very high91.1Very high10 Ų1046.1 Ų46.18%0.08328%0.28CS..  trans-61.6144.3173.500000110.7L32 L43 L58 V65L32-A63 HydrophobicContact CD1-CB 3.83Å; L32-A63 HydrophobicContact CD2-CB 4.26Å; L32-A63 VanDerWaalsContact CD2-N 3.33Å; L32-A63 HydrophobicContact CG-CB 3.91Å; L43-A63 HydrophobicContact CB-CB 4.38Å; L43-A63 HydrophobicContact CD2-CB 4.15Å; L58-A63 HydrophobicContact CB-CB 4.19Å; L58-A63 WeakPolarHBondContact O-CB 3.22Å; L58-A63 PolarHBondContact O-N 3.41Å; A63-V65 PolarHBondContact O-N 2.88Å
64D94.5Very high91.5Very high79 Ų7943.9 Ų43.942%0.42226%0.262SS..  trans-67.9103.6175.3-177.36.3000111N33 L43 N66 A67N33-D64 PolarHBondContact OD1-N 3.11Å; L43-D64 WeakPolarHBondContact CD2-O 3.14Å; D64-N66 PolarHBondContact O-N 2.61Å; D64-N66 PolarHBondContact OD1-N 3.32Å; D64-A67 HydrophobicContact CB-CB 4.17Å; D64-A67 WeakPolarHBondContact O-CB 3.49Å; D64-A67 PolarHBondContact O-N 3.5Å; D64-A67 PolarHBondContact OD1-N 3.36Å; D64-A67 PolarHBondContact OD2-N 3.3Å
65V95.7Very high91.8Very high18 Ų1844.5 Ų44.511%0.10927%0.267CS..THydrogen-bonded Turntrans-61.1-27.1179.868.40000113L59 A63 L94 H97 A99L59-V65 HydrophobicContact CD2-CB 3.87Å; L59-V65 HydrophobicContact CD2-CG2 3.9Å; A63-V65 PolarHBondContact O-N 2.88Å; V65-L94 HydrophobicContact CG2-CB 4.45Å; V65-L94 HydrophobicContact CG2-CD2 3.81Å; V65-H97 HydrophobicContact CG2-CB 4.1Å; V65-A99 HydrophobicContact CG2-CB 3.72Å
66N95.2Very high91.9Very high69 Ų6948 Ų4837%0.36928%0.282SS..THydrogen-bonded Turntrans-112.319.1-176.1-69-45000112.4D64 G98 A99 D100D64-N66 PolarHBondContact O-N 2.61Å; D64-N66 PolarHBondContact OD1-N 3.32Å; N66-G98 PolarHBondContact ND2-O 3.07Å; N66-A99 WeakPolarHBondContact OD1-CA 3.31Å; N66-D100 PolarHBondContact OD1-N 3.2Å
67A94.1Very high92.1Very high4 Ų445.1 Ų45.13%0.03327%0.269CS..  trans-51.414817100000110.1T41 H44 D64 S77 P78T41-A67 HydrophobicContact CG2-CB 3.66Å; H44-A67 PolarHBondContact NE2-O 2.99Å; D64-A67 HydrophobicContact CB-CB 4.17Å; D64-A67 WeakPolarHBondContact O-CB 3.49Å; D64-A67 PolarHBondContact O-N 3.5Å; D64-A67 PolarHBondContact OD1-N 3.36Å; D64-A67 PolarHBondContact OD2-N 3.3Å; A67-S77 VanDerWaalsContact O-CA 3.3Å; A67-S77 WeakPolarHBondContact O-CA 3.38Å; A67-P78 WeakPolarHBondContact O-CD 3.38Å
68S93.7Very high92.4Very high58 Ų5844.6 Ų44.641%0.40627%0.265SS..  trans-123.6136176.4-174.50000108.4A75 K76S68-A75 VanDerWaalsContact OG-C 3.27Å; S68-A75 PolarHBondContact OG-O 3.13Å; S68-A75 VanDerWaalsContact OG-O 3.05Å; S68-K76 WeakPolarHBondContact CA-O 3.31Å
69T93.6Very high92.6Very high7 Ų744.6 Ų44.64%0.04327%0.265CS..  trans-67173.1170.365.80000110.9Q40 V73 A75 K76Q40-T69 HydrophobicContact CG-CG2 3.92Å; T69-V73 WeakPolarHBondContact OG1-CG2 3.36Å; T69-A75 WeakPolarHBondContact O-CA 3.14Å; T69-A75 PolarHBondContact OG1-N 2.93Å; T69-K76 PolarHBondContact N-O 3.25Å; T69-K76 PolarHBondContact OG1-N 3.05Å
70D92.7Very high92.8Very high69 Ų6944.2 Ų44.237%0.36926%0.263SS..  trans-62.8152.1176.4-75.1-17.8000112.4A38 C72 V73 G74 A75A38-D70 WeakPolarHBondContact O-CB 3.47Å; A38-D70 PolarHBondContact O-N 3.33Å; D70-C72 VanDerWaalsContact CB-SG 3.57Å; D70-C72 PolarHBondContact O-N 3.22Å; D70-V73 HydrophobicContact CB-CG2 4.28Å; D70-V73 WeakPolarHBondContact O-CG2 3.3Å; D70-V73 PolarHBondContact O-N 2.95Å; D70-V73 VanDerWaalsContact O-N 3.12Å; D70-G74 PolarHBondContact O-N 3.08Å; D70-A75 PolarHBondContact O-N 3.12Å
71Q88.7Confident93Very high169 Ų16940 Ų4079%0.7924%0.24SC*.G310 helixtrans-59-31.8177.3-68.8-171.8-5.400112.2V73 G74 A75Q71-V73 PolarHBondContact O-N 2.91Å; Q71-G74 PolarHBondContact O-N 3.49Å; Q71-G74 VanDerWaalsContact O-N 3.13Å; Q71-A75 HydrophobicContact CG-CB 4.46Å
72C86.6Confident93.3Very high109 Ų10939.2 Ų39.274%0.73623%0.233SC*.G310 helixtrans-66.4-25.2179.763.20000113.4D70D70-C72 VanDerWaalsContact CB-SG 3.57Å; D70-C72 PolarHBondContact O-N 3.22Å
73V87.4Confident93.5Very high61 Ų6136.9 Ų36.937%0.3721%0.209SC..G310 helixtrans-103.67.6175.3-62.30000112.8A38 T69 D70 Q71A38-V73 HydrophobicContact CB-CG1 3.88Å; A38-V73 HydrophobicContact CB-CG2 4.27Å; A38-V73 VanDerWaalsContact O-CG2 3.25Å; A38-V73 WeakPolarHBondContact O-CG2 3.26Å; T69-V73 WeakPolarHBondContact OG1-CG2 3.36Å; D70-V73 HydrophobicContact CB-CG2 4.28Å; D70-V73 WeakPolarHBondContact O-CG2 3.3Å; D70-V73 PolarHBondContact O-N 2.95Å; D70-V73 VanDerWaalsContact O-N 3.12Å; Q71-V73 PolarHBondContact O-N 2.91Å
74G90.1Very high93.6Very high10 Ų1037.9 Ų37.910%0.10322%0.216CC..THydrogen-bonded Turntrans106.112.5170.500000115.4D70 Q71 K76 D105 A106D70-G74 PolarHBondContact O-N 3.08Å; Q71-G74 PolarHBondContact O-N 3.49Å; Q71-G74 VanDerWaalsContact O-N 3.13Å; G74-K76 PolarHBondContact O-N 3.11Å; G74-K76 VanDerWaalsContact O-N 3.08Å; G74-D105 CarbonylContact O-C 3.57Å; G74-D105 WeakPolarHBondContact O-CA 3.37Å; G74-D105 VanDerWaalsContact O-CB 3.25Å; G74-D105 WeakPolarHBondContact O-CB 3.43Å; G74-A106 VanDerWaalsContact C-CB 3.47Å; G74-A106 WeakPolarHBondContact O-CB 3.47Å; G74-A106 PolarHBondContact O-N 3.06Å
75A93.3Very high93.6Very high14 Ų1440.7 Ų40.712%0.11622%0.221CC..  trans49.938176.900000114.7S68 T69 D70 Q71 A106S68-A75 VanDerWaalsContact OG-C 3.27Å; S68-A75 PolarHBondContact OG-O 3.13Å; S68-A75 VanDerWaalsContact OG-O 3.05Å; T69-A75 WeakPolarHBondContact O-CA 3.14Å; T69-A75 PolarHBondContact OG1-N 2.93Å; D70-A75 PolarHBondContact O-N 3.12Å; Q71-A75 HydrophobicContact CG-CB 4.46Å; A75-A106 HydrophobicContact CB-CB 4.09Å
76K94.9Very high93.5Very high74 Ų7442.2 Ų42.232%0.32223%0.228SC..  trans-77.3141.1-174.6-69.6178.7-179.51740109.7H44 S68 T69 G74 H80 I81 D105H44-K76 PolarHBondContact NE2-O 3.01Å; S68-K76 WeakPolarHBondContact CA-O 3.31Å; T69-K76 PolarHBondContact N-O 3.25Å; T69-K76 PolarHBondContact OG1-N 3.05Å; G74-K76 PolarHBondContact O-N 3.11Å; G74-K76 VanDerWaalsContact O-N 3.08Å; K76-H80 HydrophobicContact CB-CB 3.97Å; K76-H80 HydrophobicContact CG-CB 4.21Å; K76-I81 HydrophobicContact CB-CG1 4.31Å; K76-D105 HydrophobicContact CG-CB 4.22Å
77S96Very high93.5Very high5 Ų540.4 Ų40.44%0.03522%0.218CC..  trans-88.4165.8167.2740000111A67 L79 H80 I81A67-S77 VanDerWaalsContact O-CA 3.3Å; A67-S77 WeakPolarHBondContact O-CA 3.38Å; S77-L79 PolarHBondContact O-N 3.36Å; S77-L79 VanDerWaalsContact O-N 3.13Å; S77-L79 PolarHBondContact OG-N 3.48Å; S77-H80 PolarHBondContact N-ND1 3.4Å; S77-H80 VanDerWaalsContact N-ND1 3.11Å; S77-H80 WeakPolarHBondContact O-CB 3.45Å; S77-H80 PolarHBondContact O-N 3.19Å; S77-H80 PolarHBondContact OG-N 3.23Å; S77-H80 PolarHBondContact OG-ND1 2.95Å; S77-I81 PolarHBondContact O-N 2.74Å
78P96Very high93.4Very high0 Ų042 Ų420%023%0.226CC..Hα-helixtrans-53.5-36.2174.2-2835.3000112.1L43 H44 A67 I81 S82 L94L43-P78 HydrophobicContact CD2-CB 4.07Å; L43-P78 HydrophobicContact CD2-CG 3.75Å; L43-P78 HydrophobicContact CG-CB 4.01Å; L43-P78 HydrophobicContact CG-CG 3.97Å; H44-P78 VanDerWaalsContact NE2-CD 3.31Å; H44-P78 WeakPolarHBondContact NE2-CD 3.35Å; A67-P78 WeakPolarHBondContact O-CD 3.38Å; P78-I81 PolarHBondContact O-N 3.26Å; P78-S82 PolarHBondContact O-N 3.13Å; P78-S82 PolarHBondContact O-OG 3.35Å; P78-L94 HydrophobicContact CB-CD1 3.99Å; P78-L94 HydrophobicContact CB-CD2 3.77Å
79L96.7Very high93.3Very high1 Ų144.6 Ų44.61%0.00524%0.235CC..Hα-helixtrans-67.4-36.3177.6-167.961.9000112.3S77 I81 S82 S83 C91 L94 V95 A99 L101 P111 L127S77-L79 PolarHBondContact O-N 3.36Å; S77-L79 VanDerWaalsContact O-N 3.13Å; S77-L79 PolarHBondContact OG-N 3.48Å; L79-I81 VanDerWaalsContact C-N 3.32Å; L79-I81 PolarHBondContact O-N 3.15Å; L79-S82 PolarHBondContact O-OG 2.92Å; L79-S83 WeakPolarHBondContact O-CB 3.22Å; L79-S83 PolarHBondContact O-N 3.42Å; L79-S83 PolarHBondContact O-OG 2.95Å; L79-C91 HydrophobicContact CD1-CB 4.23Å; L79-L94 HydrophobicContact CB-CD1 4.12Å; L79-L94 HydrophobicContact CD1-CB 4.07Å; L79-L94 HydrophobicContact CD1-CD1 3.95Å; L79-V95 HydrophobicContact CD1-CG2 4.28Å; L79-V95 HydrophobicContact CD2-CG2 4.42Å; L79-A99 HydrophobicContact CB-CB 4.33Å; L79-A99 HydrophobicContact CD2-CB 3.95Å; L79-L101 HydrophobicContact CD2-CD2 3.97Å; L79-P111 HydrophobicContact CB-CB 4.32Å; L79-P111 HydrophobicContact CB-CG 4.16Å; L79-P111 HydrophobicContact CD2-CB 4.02Å; L79-P111 HydrophobicContact CD2-CG 3.9Å; L79-P111 HydrophobicContact CG-CB 3.75Å; L79-P111 HydrophobicContact CG-CG 3.94Å; L79-L127 HydrophobicContact CD1-CD2 4.29Å; L79-L127 HydrophobicContact CD2-CD2 4.26Å
80H96.9Very high93.4Very high1 Ų144.5 Ų44.51%0.00524%0.235CC..Hα-helixtrans-61-43.9172.3-69.794.9000111.3K76 S77 S84 A103 N109 P111K76-H80 HydrophobicContact CB-CB 3.97Å; K76-H80 HydrophobicContact CG-CB 4.21Å; S77-H80 PolarHBondContact N-ND1 3.4Å; S77-H80 VanDerWaalsContact N-ND1 3.11Å; S77-H80 WeakPolarHBondContact O-CB 3.45Å; S77-H80 PolarHBondContact O-N 3.19Å; S77-H80 PolarHBondContact OG-N 3.23Å; S77-H80 PolarHBondContact OG-ND1 2.95Å; H80-S84 WeakPolarHBondContact O-CB 3.46Å; H80-S84 PolarHBondContact O-N 2.92Å; H80-S84 PolarHBondContact O-OG 3.2Å; H80-A103 PolarHBondContact CE1-O 2.81Å; H80-A103 PolarHBondContact NE2-O 3.47Å; H80-N109 PolarHBondContact NE2-O 3.37Å; H80-P111 WeakPolarHBondContact NE2-CD 3.4Å
81I94.9Very high93.5Very high16 Ų1641.2 Ų41.28%0.08222%0.217CC..Hα-helixtrans-64.8-56-179.6-61-173.5000110.4H44 C47 A48 K76 S77 P78 L79 S83 S84 R85H44-I81 HydrophobicContact CB-CD1 3.68Å; H44-I81 VanDerWaalsContact CD2-CD1 3.46Å; H44-I81 WeakPolarHBondContact CD2-CD1 3.33Å; C47-I81 HydrophobicContact CB-CB 4.36Å; C47-I81 HydrophobicContact CB-CG2 4.2Å; A48-I81 HydrophobicContact CB-CG2 4.05Å; K76-I81 HydrophobicContact CB-CG1 4.31Å; S77-I81 PolarHBondContact O-N 2.74Å; P78-I81 PolarHBondContact O-N 3.26Å; L79-I81 VanDerWaalsContact C-N 3.32Å; L79-I81 PolarHBondContact O-N 3.15Å; I81-S83 PolarHBondContact O-N 3.05Å; I81-S84 PolarHBondContact O-N 3.23Å; I81-S84 VanDerWaalsContact O-N 3.15Å; I81-S84 PolarHBondContact O-OG 3.38Å; I81-R85 WeakPolarHBondContact O-CG 3.42Å; I81-R85 PolarHBondContact O-N 3.14Å
82S94.9Very high93.8Very high0 Ų035.9 Ų35.90%019%0.191CC..Hα-helixtrans-58.1-38.2-179.264.30000111.9P78 L79 R85 N86 E87 C91 L94P78-S82 PolarHBondContact O-N 3.13Å; P78-S82 PolarHBondContact O-OG 3.35Å; L79-S82 PolarHBondContact O-OG 2.92Å; S82-R85 PolarHBondContact O-N 3.4Å; S82-N86 PolarHBondContact O-N 2.98Å; S82-E87 PolarHBondContact O-N 3.38Å; S82-C91 PolarHBondContact OG-SG 3.17Å; S82-L94 WeakPolarHBondContact OG-CD1 3.41Å
83S95.7Very high94.1Very high0 Ų030.9 Ų30.90%016%0.158CC..Hα-helixtrans-69.1-42.3179.3-56.10000112L79 I81 R85 N86 P111 A120 L127L79-S83 WeakPolarHBondContact O-CB 3.22Å; L79-S83 PolarHBondContact O-N 3.42Å; L79-S83 PolarHBondContact O-OG 2.95Å; I81-S83 PolarHBondContact O-N 3.05Å; S83-R85 VanDerWaalsContact C-N 3.26Å; S83-R85 PolarHBondContact O-N 3.31Å; S83-N86 PolarHBondContact O-N 3.37Å; S83-P111 WeakPolarHBondContact CB-O 3.44Å; S83-A120 WeakPolarHBondContact O-CB 3.32Å; S83-L127 WeakPolarHBondContact OG-CD1 3.48Å
84S94.8Very high94.5Very high32 Ų3228 Ų2822%0.22414%0.14CC..Hα-helixtrans-64.7-29.7176.170.30000113.1H80 I81 N118H80-S84 WeakPolarHBondContact O-CB 3.46Å; H80-S84 PolarHBondContact O-N 2.92Å; H80-S84 PolarHBondContact O-OG 3.2Å; I81-S84 PolarHBondContact O-N 3.23Å; I81-S84 VanDerWaalsContact O-N 3.15Å; I81-S84 PolarHBondContact O-OG 3.38Å; S84-N118 WeakPolarHBondContact O-CB 3.45Å
85R93.9Very high94.8Very high138 Ų13827.7 Ų27.752%0.52114%0.136SC..THydrogen-bonded Turntrans-89.60.8178.3-58.2-153.591.5164.88.7114.1A48 I81 S82 S83 E87A48-R85 VanDerWaalsContact O-CD 3.31Å; A48-R85 WeakPolarHBondContact O-CD 3.48Å; A48-R85 PolarHBondContact O-NH1 3.3Å; I81-R85 WeakPolarHBondContact O-CG 3.42Å; I81-R85 PolarHBondContact O-N 3.14Å; S82-R85 PolarHBondContact O-N 3.4Å; S83-R85 VanDerWaalsContact C-N 3.26Å; S83-R85 PolarHBondContact O-N 3.31Å; R85-E87 HydrophobicContact CB-CG 3.98Å; R85-E87 PolarHBondContact O-N 3.44Å
86N93.9Very high94.8Very high49 Ų4935.6 Ų35.626%0.26216%0.163SC..THydrogen-bonded Turntrans59.829.3-174.6-159.952000114.2S82 S83 L88 A120 Q121 E122 A123S82-N86 PolarHBondContact O-N 2.98Å; S83-N86 PolarHBondContact O-N 3.37Å; N86-L88 PolarHBondContact O-N 2.94Å; N86-L88 VanDerWaalsContact O-N 3.11Å; N86-A120 HydrophobicContact CB-CB 3.51Å; N86-A120 VanDerWaalsContact OD1-CA 3.3Å; N86-A120 WeakPolarHBondContact OD1-CA 3.36Å; N86-A120 WeakPolarHBondContact OD1-CB 3.28Å; N86-A120 PolarHBondContact OD1-O 3.39Å; N86-Q121 PolarHBondContact OD1-N 3.37Å; N86-E122 PolarHBondContact OD1-N 3.28Å; N86-A123 PolarHBondContact OD1-N 2.98Å
87E93.6Very high94.8Very high32 Ų3235.3 Ų35.315%0.1516%0.163CC..  trans-83.487179.2-69.1-61143.700110.4P50 G51 S82 R85 D89 A90 C91P50-E87 VanDerWaalsContact CA-OE1 3.26Å; P50-E87 WeakPolarHBondContact CA-OE1 3.2Å; P50-E87 WeakPolarHBondContact CA-OE2 3.42Å; P50-E87 WeakPolarHBondContact CB-OE1 3.25Å; G51-E87 PolarHBondContact N-OE2 3.36Å; S82-E87 PolarHBondContact O-N 3.38Å; R85-E87 HydrophobicContact CB-CG 3.98Å; R85-E87 PolarHBondContact O-N 3.44Å; E87-D89 PolarHBondContact O-N 3.23Å; E87-A90 HydrophobicContact CB-CB 3.91Å; E87-A90 PolarHBondContact O-N 2.77Å; E87-C91 PolarHBondContact O-N 2.91Å; E87-C91 PolarHBondContact O-SG 2.94Å
88L92.6Very high94.7Very high38 Ų3837 Ų3720%0.19918%0.182CC..Hα-helixtrans-60-42.2-174.6179.860.6000113N86 C91 K92 E122 Y126N86-L88 PolarHBondContact O-N 2.94Å; N86-L88 VanDerWaalsContact O-N 3.11Å; L88-C91 PolarHBondContact O-N 2.84Å; L88-K92 HydrophobicContact CD1-CD 4.42Å; L88-K92 HydrophobicContact CD1-CG 4.42Å; L88-K92 HydrophobicContact CG-CD 4.19Å; L88-K92 WeakPolarHBondContact O-CG 3.25Å; L88-K92 PolarHBondContact O-N 3.24Å; L88-E122 HydrophobicContact CB-CB 4.5Å; L88-E122 HydrophobicContact CD2-CB 4.46Å; L88-Y126 VanDerWaalsContact CD1-CB 3.45Å; L88-Y126 HydrophobicContact CD1-CD1 4.12Å; L88-Y126 HydrophobicContact CD1-CD2 4.31Å; L88-Y126 HydrophobicContact CD1-CG 3.68Å
89D92.8Very high94.7Very high112 Ų11237.2 Ų37.260%0.59918%0.183SC*.Hα-helixtrans-69.1-39.4-177.7-68.5-33.3000111.8E87 K92 A93E87-D89 PolarHBondContact O-N 3.23Å; D89-K92 PolarHBondContact O-N 3.4Å; D89-A93 WeakPolarHBondContact O-CB 3.44Å; D89-A93 PolarHBondContact O-N 2.83Å
90A94.4Very high94.6Very high5 Ų540.6 Ų40.64%0.04120%0.201CC..Hα-helixtrans-62.6-44.3171.900000111.2V55 E87 K92 A93 L94V55-A90 HydrophobicContact CB-CB 4.47Å; V55-A90 HydrophobicContact CG1-CB 4.3Å; V55-A90 HydrophobicContact CG2-CB 3.97Å; E87-A90 HydrophobicContact CB-CB 3.91Å; E87-A90 PolarHBondContact O-N 2.77Å; A90-K92 PolarHBondContact O-N 3.43Å; A90-A93 PolarHBondContact O-N 3.49Å; A90-L94 WeakPolarHBondContact O-CB 3.38Å; A90-L94 WeakPolarHBondContact O-CG 3.21Å; A90-L94 PolarHBondContact O-N 3.47Å
91C95Very high94.5Very high0 Ų041 Ų410%020%0.203CC..Hα-helixtrans-58.6-46.5175.7-65.30000111.7L79 S82 E87 L88 A93 L94 V95 Y126L79-C91 HydrophobicContact CD1-CB 4.23Å; S82-C91 PolarHBondContact OG-SG 3.17Å; E87-C91 PolarHBondContact O-N 2.91Å; E87-C91 PolarHBondContact O-SG 2.94Å; L88-C91 PolarHBondContact O-N 2.84Å; C91-A93 PolarHBondContact O-N 3.47Å; C91-L94 PolarHBondContact O-N 3.15Å; C91-V95 WeakPolarHBondContact O-CB 3.45Å; C91-V95 VanDerWaalsContact O-CG2 3.26Å; C91-V95 WeakPolarHBondContact O-CG2 3.36Å; C91-V95 PolarHBondContact O-N 3.4Å; C91-Y126 HydrophobicContact CB-CD1 4.12Å; C91-Y126 HydrophobicContact CB-CE1 4.34Å
92K94.3Very high94.5Very high56 Ų5646.3 Ų46.324%0.24323%0.226CC..Hα-helixtrans-61-44.9177.3-74.9168.7-179.5166.50112.1L88 D89 A90 R96 Y126L88-K92 HydrophobicContact CD1-CD 4.42Å; L88-K92 HydrophobicContact CD1-CG 4.42Å; L88-K92 HydrophobicContact CG-CD 4.19Å; L88-K92 WeakPolarHBondContact O-CG 3.25Å; L88-K92 PolarHBondContact O-N 3.24Å; D89-K92 PolarHBondContact O-N 3.4Å; A90-K92 PolarHBondContact O-N 3.43Å; K92-R96 WeakPolarHBondContact O-CB 3.1Å; K92-R96 VanDerWaalsContact O-CG 3.23Å; K92-R96 WeakPolarHBondContact O-CG 3.26Å; K92-R96 PolarHBondContact O-N 3.17Å; K92-Y126 HydrophobicContact CB-CE1 4.37Å; K92-Y126 HydrophobicContact CG-CD1 4.24Å; K92-Y126 HydrophobicContact CG-CD2 4.2Å; K92-Y126 HydrophobicContact CG-CE1 3.75Å; K92-Y126 HydrophobicContact CG-CE2 3.74Å; K92-Y126 HydrophobicContact CG-CG 4.45Å; K92-Y126 VanDerWaalsContact CG-CZ 3.5Å
93A94.2Very high94.5Very high4 Ų447.1 Ų47.13%0.03323%0.233CC..Hα-helixtrans-61.6-47.3179.100000111.1V55 L59 D89 A90 C91 R96 H97V55-A93 HydrophobicContact CG1-CB 4.09Å; L59-A93 HydrophobicContact CD1-CB 3.93Å; D89-A93 WeakPolarHBondContact O-CB 3.44Å; D89-A93 PolarHBondContact O-N 2.83Å; A90-A93 PolarHBondContact O-N 3.49Å; C91-A93 PolarHBondContact O-N 3.47Å; A93-R96 PolarHBondContact O-N 2.97Å; A93-H97 PolarHBondContact O-N 3.06Å; A93-H97 PolarHBondContact O-ND1 2.56Å
94L96.3Very high94.5Very high0 Ų055.6 Ų55.60%027%0.265CS..Hα-helixtrans-60.5-49.1177.6-72.2170.9000112.2L43 V55 L59 V65 P78 L79 S82 A90 C91 R96 H97 G98 A99L43-L94 HydrophobicContact CD2-CD2 4.05Å; L43-L94 HydrophobicContact CG-CD2 4.48Å; V55-L94 HydrophobicContact CG1-CG 4.38Å; L59-L94 HydrophobicContact CD1-CD2 4.05Å; L59-L94 HydrophobicContact CD1-CG 4.43Å; L59-L94 HydrophobicContact CD2-CD2 4.11Å; V65-L94 HydrophobicContact CG2-CB 4.45Å; V65-L94 HydrophobicContact CG2-CD2 3.81Å; P78-L94 HydrophobicContact CB-CD1 3.99Å; P78-L94 HydrophobicContact CB-CD2 3.77Å; L79-L94 HydrophobicContact CB-CD1 4.12Å; L79-L94 HydrophobicContact CD1-CB 4.07Å; L79-L94 HydrophobicContact CD1-CD1 3.95Å; S82-L94 WeakPolarHBondContact OG-CD1 3.41Å; A90-L94 WeakPolarHBondContact O-CB 3.38Å; A90-L94 WeakPolarHBondContact O-CG 3.21Å; A90-L94 PolarHBondContact O-N 3.47Å; C91-L94 PolarHBondContact O-N 3.15Å; L94-R96 VanDerWaalsContact C-N 3.3Å; L94-R96 PolarHBondContact O-N 3.26Å; L94-H97 CarbonylContact O-C 3.52Å; L94-H97 PolarHBondContact O-N 2.81Å; L94-G98 PolarHBondContact O-N 3.23Å; L94-A99 VanDerWaalsContact C-CB 3.45Å; L94-A99 HydrophobicContact CB-CB 3.81Å; L94-A99 WeakPolarHBondContact O-CB 3.45Å; L94-A99 PolarHBondContact O-N 3.5Å
95V95.2Very high94.5Very high5 Ų554.5 Ų54.53%0.0326%0.257CS..Hα-helixtrans-61-39.6179.8169.10000111.8L79 C91 H97 G98 L101 Y126 L127 E130L79-V95 HydrophobicContact CD1-CG2 4.28Å; L79-V95 HydrophobicContact CD2-CG2 4.42Å; C91-V95 WeakPolarHBondContact O-CB 3.45Å; C91-V95 VanDerWaalsContact O-CG2 3.26Å; C91-V95 WeakPolarHBondContact O-CG2 3.36Å; C91-V95 PolarHBondContact O-N 3.4Å; V95-H97 VanDerWaalsContact C-N 3.27Å; V95-H97 PolarHBondContact O-N 2.99Å; V95-G98 PolarHBondContact O-N 2.96Å; V95-G98 VanDerWaalsContact O-N 3.15Å; V95-L101 HydrophobicContact CG2-CD2 3.65Å; V95-Y126 HydrophobicContact CB-CE1 4.35Å; V95-Y126 HydrophobicContact CG2-CE1 4.09Å; V95-L127 HydrophobicContact CG2-CD2 4.33Å; V95-E130 HydrophobicContact CG1-CG 3.71Å
96R93.7Very high94.5Very high180 Ų18050.7 Ų50.768%0.67926%0.255SS*.Hα-helixtrans-62.6-33.4175-75.3171.9-177.5152-0.1112.8K92 A93 L94 G98K92-R96 WeakPolarHBondContact O-CB 3.1Å; K92-R96 VanDerWaalsContact O-CG 3.23Å; K92-R96 WeakPolarHBondContact O-CG 3.26Å; K92-R96 PolarHBondContact O-N 3.17Å; A93-R96 PolarHBondContact O-N 2.97Å; L94-R96 VanDerWaalsContact C-N 3.3Å; L94-R96 PolarHBondContact O-N 3.26Å; R96-G98 VanDerWaalsContact C-N 3.27Å; R96-G98 PolarHBondContact O-N 3.36Å
97H95.3Very high94.5Very high67 Ų6754.5 Ų54.531%0.3128%0.275SS..THydrogen-bonded Turntrans-86.38.3177.1-71.282.5000113.8Q56 L59 D60 V65 A93 L94 V95Q56-H97 PolarHBondContact NE2-CE1 3.22Å; L59-H97 HydrophobicContact CD1-CB 4.3Å; L59-H97 HydrophobicContact CD2-CB 4.12Å; D60-H97 IonicContact OD1-CE1 4Å; D60-H97 IonicContact OD1-NE2 3.84Å; D60-H97 PolarHBondContact OD1-NE2 3Å; V65-H97 HydrophobicContact CG2-CB 4.1Å; A93-H97 PolarHBondContact O-N 3.06Å; A93-H97 PolarHBondContact O-ND1 2.56Å; L94-H97 CarbonylContact O-C 3.52Å; L94-H97 PolarHBondContact O-N 2.81Å; V95-H97 VanDerWaalsContact C-N 3.27Å; V95-H97 PolarHBondContact O-N 2.99Å
98G93.9Very high94.5Very high42 Ų4254.7 Ų54.743%0.43329%0.285SS..THydrogen-bonded Turntrans85.629.317600000114.3N66 L94 V95 R96 D100N66-G98 PolarHBondContact ND2-O 3.07Å; L94-G98 PolarHBondContact O-N 3.23Å; V95-G98 PolarHBondContact O-N 2.96Å; V95-G98 VanDerWaalsContact O-N 3.15Å; R96-G98 VanDerWaalsContact C-N 3.27Å; R96-G98 PolarHBondContact O-N 3.36Å; G98-D100 PolarHBondContact O-N 2.84Å
99A95.6Very high94.7Very high4 Ų454.1 Ų54.13%0.03328%0.282CS..  trans-56136.9168.200000111.4V65 N66 L79 L94 L101V65-A99 HydrophobicContact CG2-CB 3.72Å; N66-A99 WeakPolarHBondContact OD1-CA 3.31Å; L79-A99 HydrophobicContact CB-CB 4.33Å; L79-A99 HydrophobicContact CD2-CB 3.95Å; L94-A99 VanDerWaalsContact C-CB 3.45Å; L94-A99 HydrophobicContact CB-CB 3.81Å; L94-A99 WeakPolarHBondContact O-CB 3.45Å; L94-A99 PolarHBondContact O-N 3.5Å; A99-L101 PolarHBondContact O-N 3.06Å
100D95.5Very high94.9Very high72 Ų7249.8 Ų49.839%0.38526%0.26SS..  trans-75109.3177.4-177.510.4000110.8N66 G98 F102 A103N66-D100 PolarHBondContact OD1-N 3.2Å; G98-D100 PolarHBondContact O-N 2.84Å; D100-F102 PolarHBondContact O-N 2.92Å; D100-F102 WeakPolarHBondContact OD1-CA 3.23Å; D100-F102 PolarHBondContact OD1-N 3.27Å; D100-A103 HydrophobicContact CB-CB 4.09Å; D100-A103 VanDerWaalsContact CG-N 3.31Å; D100-A103 WeakPolarHBondContact O-CB 3.44Å; D100-A103 PolarHBondContact O-N 3.24Å; D100-A103 PolarHBondContact OD1-N 3.01Å; D100-A103 PolarHBondContact OD2-N 2.92Å
101L94.8Very high95Very high9 Ų949.6 Ų49.65%0.04726%0.258CS..THydrogen-bonded Turntrans-66.2-19.2176.8-61.4173.6000113L79 V95 A99 L127 E130 L131L79-L101 HydrophobicContact CD2-CD2 3.97Å; V95-L101 HydrophobicContact CG2-CD2 3.65Å; A99-L101 PolarHBondContact O-N 3.06Å; L101-L127 HydrophobicContact CD2-CD2 3.68Å; L101-E130 HydrophobicContact CD1-CG 3.73Å; L101-E130 HydrophobicContact CD2-CG 4.38Å; L101-L131 HydrophobicContact CB-CD2 3.92Å; L101-L131 HydrophobicContact CD1-CD2 3.87Å; L101-L131 HydrophobicContact CD1-CG 4.41Å
102F94.5Very high95.1Very high127 Ų12750.6 Ų50.656%0.55726%0.263SS*.THydrogen-bonded Turntrans-11110.2-178-56.7-74.9000112.8D100 R104 L131D100-F102 PolarHBondContact O-N 2.92Å; D100-F102 WeakPolarHBondContact OD1-CA 3.23Å; D100-F102 PolarHBondContact OD1-N 3.27Å; F102-R104 PolarHBondContact O-N 2.98Å; F102-L131 HydrophobicContact CD1-CD2 4.46Å; F102-L131 HydrophobicContact CE1-CD2 3.59Å; F102-L131 HydrophobicContact CE2-CD2 4.02Å; F102-L131 HydrophobicContact CZ-CD2 3.34Å
103A94.8Very high95.2Very high17 Ų1751.5 Ų51.514%0.1427%0.269CS..  trans-51.4141.9171.500000109H80 D100 T110 P111H80-A103 PolarHBondContact CE1-O 2.81Å; H80-A103 PolarHBondContact NE2-O 3.47Å; D100-A103 HydrophobicContact CB-CB 4.09Å; D100-A103 VanDerWaalsContact CG-N 3.31Å; D100-A103 WeakPolarHBondContact O-CB 3.44Å; D100-A103 PolarHBondContact O-N 3.24Å; D100-A103 PolarHBondContact OD1-N 3.01Å; D100-A103 PolarHBondContact OD2-N 2.92Å; A103-T110 WeakPolarHBondContact O-CA 3.33Å; A103-P111 WeakPolarHBondContact O-CD 3.32Å
104R95.3Very high95.3Very high178 Ų17851.7 Ų51.767%0.67227%0.27SS*.  trans-115.2128.2178-70.1-170.8176.988.50.5109.8F102 N109F102-R104 PolarHBondContact O-N 2.98Å; R104-N109 WeakPolarHBondContact CA-O 3.39Å
105D94.7Very high95.3Very high10 Ų1051.7 Ų51.75%0.05327%0.27CS..  trans-71.3179.1169.182.4-2000110.7G74 K76 D107 G108 N109G74-D105 CarbonylContact O-C 3.57Å; G74-D105 WeakPolarHBondContact O-CA 3.37Å; G74-D105 VanDerWaalsContact O-CB 3.25Å; G74-D105 WeakPolarHBondContact O-CB 3.43Å; K76-D105 HydrophobicContact CG-CB 4.22Å; D105-D107 PolarHBondContact O-N 3.48Å; D105-D107 WeakPolarHBondContact OD1-CA 3.3Å; D105-D107 WeakPolarHBondContact OD1-CB 3.03Å; D105-D107 PolarHBondContact OD1-N 3.3Å; D105-G108 WeakPolarHBondContact O-CA 3.32Å; D105-G108 PolarHBondContact O-N 3.11Å; D105-G108 PolarHBondContact OD1-N 3.41Å; D105-N109 PolarHBondContact N-O 3.31Å; D105-N109 WeakPolarHBondContact OD1-CB 3.38Å; D105-N109 PolarHBondContact OD1-N 3.27Å
106A94.3Very high95.3Very high58 Ų5856.2 Ų56.248%0.47929%0.291SS..THydrogen-bonded Turntrans-64.3-24.4-176.900000113G74 A75 G108G74-A106 VanDerWaalsContact C-CB 3.47Å; G74-A106 WeakPolarHBondContact O-CB 3.47Å; G74-A106 PolarHBondContact O-N 3.06Å; A75-A106 HydrophobicContact CB-CB 4.09Å; A106-G108 VanDerWaalsContact C-N 3.26Å
107D93.5Very high95.4Very high129 Ų12953.3 Ų53.369%0.6929%0.286SS*.THydrogen-bonded Turntrans-86.6-0175.4-64.6-48.8000111.7D105 N109D105-D107 PolarHBondContact O-N 3.48Å; D105-D107 WeakPolarHBondContact OD1-CA 3.3Å; D105-D107 WeakPolarHBondContact OD1-CB 3.03Å; D105-D107 PolarHBondContact OD1-N 3.3Å; D107-N109 VanDerWaalsContact C-N 3.3Å; D107-N109 VanDerWaalsContact CB-ND2 3.27Å; D107-N109 WeakPolarHBondContact CB-ND2 3.41Å
108G94.7Very high95.4Very high35 Ų3554.7 Ų54.736%0.36130%0.296SS..SBendtrans8010.2-178.800000113.9D105 A106D105-G108 WeakPolarHBondContact O-CA 3.32Å; D105-G108 PolarHBondContact O-N 3.11Å; D105-G108 PolarHBondContact OD1-N 3.41Å; A106-G108 VanDerWaalsContact C-N 3.26Å
109N96.6Very high95.4Very high26 Ų2659.1 Ų59.114%0.13931%0.309CS..  trans-80.1143.5-179.9-57.7-55.9000110.8H80 R104 D105 D107 Q113 M117H80-N109 PolarHBondContact NE2-O 3.37Å; R104-N109 WeakPolarHBondContact CA-O 3.39Å; D105-N109 PolarHBondContact N-O 3.31Å; D105-N109 WeakPolarHBondContact OD1-CB 3.38Å; D105-N109 PolarHBondContact OD1-N 3.27Å; D107-N109 VanDerWaalsContact C-N 3.3Å; D107-N109 VanDerWaalsContact CB-ND2 3.27Å; D107-N109 WeakPolarHBondContact CB-ND2 3.41Å; N109-Q113 VanDerWaalsContact CA-OE1 3.29Å; N109-Q113 HydrophobicContact CB-CB 4.14Å; N109-M117 WeakPolarHBondContact OD1-CE 3.35Å
110T96.5Very high95.4Very high22 Ų2259 Ų5914%0.13531%0.309CS..  trans-85.6163.5169.166.70000111.5A103 L112 Q113 C114A103-T110 WeakPolarHBondContact O-CA 3.33Å; T110-L112 PolarHBondContact O-N 2.92Å; T110-L112 VanDerWaalsContact O-N 3.16Å; T110-Q113 WeakPolarHBondContact O-CA 3.34Å; T110-Q113 WeakPolarHBondContact O-CB 3.37Å; T110-Q113 PolarHBondContact O-N 3.35Å; T110-Q113 WeakPolarHBondContact OG1-CG 3.49Å; T110-Q113 PolarHBondContact OG1-N 3.29Å; T110-Q113 PolarHBondContact OG1-OE1 2.79Å; T110-C114 PolarHBondContact O-N 2.86Å
111P96.8Very high95.4Very high0 Ų063.2 Ų63.20%033%0.326CS..Hα-helixtrans-55.6-36.2176-26.734.4000113.1L79 H80 S83 A103 C114 A115 L127L79-P111 HydrophobicContact CB-CB 4.32Å; L79-P111 HydrophobicContact CB-CG 4.16Å; L79-P111 HydrophobicContact CD2-CB 4.02Å; L79-P111 HydrophobicContact CD2-CG 3.9Å; L79-P111 HydrophobicContact CG-CB 3.75Å; L79-P111 HydrophobicContact CG-CG 3.94Å; H80-P111 WeakPolarHBondContact NE2-CD 3.4Å; S83-P111 WeakPolarHBondContact CB-O 3.44Å; A103-P111 WeakPolarHBondContact O-CD 3.32Å; P111-C114 PolarHBondContact O-N 2.92Å; P111-A115 PolarHBondContact O-N 3.21Å; P111-L127 HydrophobicContact CB-CD1 4.21Å
112L96.7Very high95.4Very high21 Ų2168.3 Ų68.311%0.1135%0.349CS..Hα-helixtrans-63.1-44.6174175.162.6000111.7T110 A115 Q116 S124 L127 L128 L131T110-L112 PolarHBondContact O-N 2.92Å; T110-L112 VanDerWaalsContact O-N 3.16Å; L112-A115 WeakPolarHBondContact O-CB 3.48Å; L112-A115 PolarHBondContact O-N 3.41Å; L112-Q116 HydrophobicContact CD1-CG 4.34Å; L112-Q116 WeakPolarHBondContact O-CG 3.27Å; L112-Q116 PolarHBondContact O-N 3.16Å; L112-S124 WeakPolarHBondContact CD1-O 3.11Å; L112-S124 WeakPolarHBondContact CD1-OG 3.48Å; L112-L127 HydrophobicContact CB-CB 4.42Å; L112-L127 HydrophobicContact CB-CD1 4.26Å; L112-L127 HydrophobicContact CD1-CB 4.06Å; L112-L128 HydrophobicContact CD2-CD1 4.37Å; L112-L131 HydrophobicContact CD2-CD1 3.77Å
113Q97.1Very high95.4Very high76 Ų7662.2 Ų62.236%0.35532%0.323SS..Hα-helixtrans-64.5-41.8177.6-71.6170.7-42.700111N109 T110 A115 Q116 M117N109-Q113 VanDerWaalsContact CA-OE1 3.29Å; N109-Q113 HydrophobicContact CB-CB 4.14Å; T110-Q113 WeakPolarHBondContact O-CA 3.34Å; T110-Q113 WeakPolarHBondContact O-CB 3.37Å; T110-Q113 PolarHBondContact O-N 3.35Å; T110-Q113 WeakPolarHBondContact OG1-CG 3.49Å; T110-Q113 PolarHBondContact OG1-N 3.29Å; T110-Q113 PolarHBondContact OG1-OE1 2.79Å; Q113-A115 VanDerWaalsContact C-N 3.31Å; Q113-A115 PolarHBondContact O-N 3.36Å; Q113-Q116 PolarHBondContact O-N 3.41Å; Q113-M117 WeakPolarHBondContact O-CB 3.48Å; Q113-M117 VanDerWaalsContact O-CG 3.24Å; Q113-M117 WeakPolarHBondContact O-CG 3.24Å; Q113-M117 PolarHBondContact O-N 2.94Å
114C95.6Very high95.5Very high8 Ų862.3 Ų62.35%0.05432%0.322CS..Hα-helixtrans-61-38.8173.4-66.80000112.4T110 P111 N118T110-C114 PolarHBondContact O-N 2.86Å; P111-C114 PolarHBondContact O-N 2.92Å; C114-N118 PolarHBondContact O-N 3.41Å; C114-N118 PolarHBondContact O-ND2 2.86Å
115A96.2Very high95.5Very high0 Ų056.7 Ų56.70%031%0.314CS..Hα-helixtrans-60.6-48.217400000111P111 L112 Q113 N118 N119 A120 A123P111-A115 PolarHBondContact O-N 3.21Å; L112-A115 WeakPolarHBondContact O-CB 3.48Å; L112-A115 PolarHBondContact O-N 3.41Å; Q113-A115 VanDerWaalsContact C-N 3.31Å; Q113-A115 PolarHBondContact O-N 3.36Å; A115-N118 PolarHBondContact O-N 3.23Å; A115-N119 PolarHBondContact O-N 3.48Å; A115-A120 HydrophobicContact CB-CB 4.1Å; A115-A120 WeakPolarHBondContact O-CB 3.41Å; A115-A120 PolarHBondContact O-N 2.92Å; A115-A123 HydrophobicContact CB-CB 4.43Å
116Q96.3Very high95.6Very high100 Ų10058.1 Ų58.147%0.46732%0.319SS..Hα-helixtrans-64.8-43-179.2-70.9173.5-22.400112.3L112 Q113 N118 N119 S124L112-Q116 HydrophobicContact CD1-CG 4.34Å; L112-Q116 WeakPolarHBondContact O-CG 3.27Å; L112-Q116 PolarHBondContact O-N 3.16Å; Q113-Q116 PolarHBondContact O-N 3.41Å; Q116-N118 VanDerWaalsContact C-N 3.25Å; Q116-N118 PolarHBondContact O-N 2.92Å; Q116-N119 PolarHBondContact O-N 3.39Å; Q116-N119 VanDerWaalsContact O-N 3.14Å; Q116-S124 WeakPolarHBondContact CG-OG 3.46Å
117M95.9Very high95.6Very high119 Ų11955.4 Ų55.459%0.58630%0.296SS*.Hα-helixtrans-61.9-33.2177.7-71.9179.1-175.800112.7N109 Q113N109-M117 WeakPolarHBondContact OD1-CE 3.35Å; Q113-M117 WeakPolarHBondContact O-CB 3.48Å; Q113-M117 VanDerWaalsContact O-CG 3.24Å; Q113-M117 WeakPolarHBondContact O-CG 3.24Å; Q113-M117 PolarHBondContact O-N 2.94Å
118N94.7Very high95.8Very high95 Ų9553.9 Ų53.951%0.50829%0.288SS..THydrogen-bonded Turntrans-93.27.8178.7-70.3-78000113.6S84 C114 A115 Q116 A120S84-N118 WeakPolarHBondContact O-CB 3.45Å; C114-N118 PolarHBondContact O-N 3.41Å; C114-N118 PolarHBondContact O-ND2 2.86Å; A115-N118 PolarHBondContact O-N 3.23Å; Q116-N118 VanDerWaalsContact C-N 3.25Å; Q116-N118 PolarHBondContact O-N 2.92Å; N118-A120 PolarHBondContact O-N 2.97Å
119N94.5Very high95.8Very high135 Ų13556.8 Ų56.872%0.72230%0.295SS*.THydrogen-bonded Turntrans56.230.9-175-55.7-74000113.8A115 Q116 Q121A115-N119 PolarHBondContact O-N 3.48Å; Q116-N119 PolarHBondContact O-N 3.39Å; Q116-N119 VanDerWaalsContact O-N 3.14Å; N119-Q121 VanDerWaalsContact C-N 3.33Å; N119-Q121 PolarHBondContact O-N 2.91Å
120A95.4Very high95.7Very high3 Ų357 Ų573%0.02530%0.295CS..  trans-77.481.3175.200000110.4S83 N86 A115 N118 E122 A123 S124S83-A120 WeakPolarHBondContact O-CB 3.32Å; N86-A120 HydrophobicContact CB-CB 3.51Å; N86-A120 VanDerWaalsContact OD1-CA 3.3Å; N86-A120 WeakPolarHBondContact OD1-CA 3.36Å; N86-A120 WeakPolarHBondContact OD1-CB 3.28Å; N86-A120 PolarHBondContact OD1-O 3.39Å; A115-A120 HydrophobicContact CB-CB 4.1Å; A115-A120 WeakPolarHBondContact O-CB 3.41Å; A115-A120 PolarHBondContact O-N 2.92Å; N118-A120 PolarHBondContact O-N 2.97Å; A120-E122 PolarHBondContact O-N 3.29Å; A120-A123 HydrophobicContact CB-CB 4.28Å; A120-S124 WeakPolarHBondContact O-CB 3.25Å; A120-S124 PolarHBondContact O-N 3.33Å
121Q94.9Very high95.6Very high160 Ų16057.6 Ų57.675%0.74830%0.297SS*.Hα-helixtrans-63.1-43-170.5-64.9-177.5-42.600113.4N86 N119 A125N86-Q121 PolarHBondContact OD1-N 3.37Å; N119-Q121 VanDerWaalsContact C-N 3.33Å; N119-Q121 PolarHBondContact O-N 2.91Å; Q121-A125 VanDerWaalsContact O-CB 3.25Å; Q121-A125 WeakPolarHBondContact O-CB 3.14Å; Q121-A125 PolarHBondContact O-N 3.31Å
122E94.7Very high95.4Very high115 Ų11560.5 Ų60.554%0.53731%0.311SS..Hα-helixtrans-71.8-45.8-176.3-61.4-175.4165.800111.1N86 L88 A120 A125 Y126N86-E122 PolarHBondContact OD1-N 3.28Å; L88-E122 HydrophobicContact CB-CB 4.5Å; L88-E122 HydrophobicContact CD2-CB 4.46Å; A120-E122 PolarHBondContact O-N 3.29Å; E122-A125 PolarHBondContact O-N 2.84Å; E122-Y126 WeakPolarHBondContact O-CB 3.38Å; E122-Y126 PolarHBondContact O-N 2.91Å
123A94.4Very high95.3Very high0 Ų061.6 Ų61.60%032%0.318CS..Hα-helixtrans-63.5-43.6175.300000111.2N86 A115 A120 A125 Y126 L127N86-A123 PolarHBondContact OD1-N 2.98Å; A115-A123 HydrophobicContact CB-CB 4.43Å; A120-A123 HydrophobicContact CB-CB 4.28Å; A123-A125 PolarHBondContact O-N 3.43Å; A123-Y126 PolarHBondContact O-N 3.14Å; A123-L127 WeakPolarHBondContact O-CB 3.37Å; A123-L127 VanDerWaalsContact O-CG 3.28Å; A123-L127 WeakPolarHBondContact O-CG 3.21Å; A123-L127 PolarHBondContact O-N 3.18Å
124S96.3Very high95Very high18 Ų1863.4 Ų63.413%0.12632%0.322CS..Hα-helixtrans-60.9-44.5176.1177.50000112.1L112 Q116 A120 L128L112-S124 WeakPolarHBondContact CD1-O 3.11Å; L112-S124 WeakPolarHBondContact CD1-OG 3.48Å; Q116-S124 WeakPolarHBondContact CG-OG 3.46Å; A120-S124 WeakPolarHBondContact O-CB 3.25Å; A120-S124 PolarHBondContact O-N 3.33Å; S124-L128 VanDerWaalsContact O-CB 3.3Å; S124-L128 WeakPolarHBondContact O-CB 3.45Å; S124-L128 PolarHBondContact O-N 2.97Å
125A96.6Very high94.9Very high60 Ų6069.6 Ų69.650%0.49634%0.344SS..Hα-helixtrans-64.4-44.4179.700000111Q121 E122 A123 L128 D129Q121-A125 VanDerWaalsContact O-CB 3.25Å; Q121-A125 WeakPolarHBondContact O-CB 3.14Å; Q121-A125 PolarHBondContact O-N 3.31Å; E122-A125 PolarHBondContact O-N 2.84Å; A123-A125 PolarHBondContact O-N 3.43Å; A125-L128 PolarHBondContact O-N 2.99Å; A125-D129 WeakPolarHBondContact O-CB 3.3Å; A125-D129 PolarHBondContact O-N 3.36Å
126Y96.3Very high94.7Very high40 Ų4074 Ų7416%0.15737%0.367CS..Hα-helixtrans-63-47.2177.7175.1-108.5000112.7L88 C91 K92 V95 E122 A123 L128 D129 E130L88-Y126 VanDerWaalsContact CD1-CB 3.45Å; L88-Y126 HydrophobicContact CD1-CD1 4.12Å; L88-Y126 HydrophobicContact CD1-CD2 4.31Å; L88-Y126 HydrophobicContact CD1-CG 3.68Å; C91-Y126 HydrophobicContact CB-CD1 4.12Å; C91-Y126 HydrophobicContact CB-CE1 4.34Å; K92-Y126 HydrophobicContact CB-CE1 4.37Å; K92-Y126 HydrophobicContact CG-CD1 4.24Å; K92-Y126 HydrophobicContact CG-CD2 4.2Å; K92-Y126 HydrophobicContact CG-CE1 3.75Å; K92-Y126 HydrophobicContact CG-CE2 3.74Å; K92-Y126 HydrophobicContact CG-CG 4.45Å; K92-Y126 VanDerWaalsContact CG-CZ 3.5Å; V95-Y126 HydrophobicContact CB-CE1 4.35Å; V95-Y126 HydrophobicContact CG2-CE1 4.09Å; E122-Y126 WeakPolarHBondContact O-CB 3.38Å; E122-Y126 PolarHBondContact O-N 2.91Å; A123-Y126 PolarHBondContact O-N 3.14Å; Y126-L128 VanDerWaalsContact C-N 3.31Å; Y126-L128 PolarHBondContact O-N 3.39Å; Y126-D129 PolarHBondContact O-N 2.89Å; Y126-E130 WeakPolarHBondContact O-CB 3.5Å; Y126-E130 PolarHBondContact O-N 3.49Å
127L95.2Very high94.5Very high2 Ų274.9 Ų74.91%0.0137%0.37CS..Hα-helixtrans-63.5-38.8178.4-72.1175.5000112L79 S83 V95 L101 P111 L112 A123 E130 L131L79-L127 HydrophobicContact CD1-CD2 4.29Å; L79-L127 HydrophobicContact CD2-CD2 4.26Å; S83-L127 WeakPolarHBondContact OG-CD1 3.48Å; V95-L127 HydrophobicContact CG2-CD2 4.33Å; L101-L127 HydrophobicContact CD2-CD2 3.68Å; P111-L127 HydrophobicContact CB-CD1 4.21Å; L112-L127 HydrophobicContact CB-CB 4.42Å; L112-L127 HydrophobicContact CB-CD1 4.26Å; L112-L127 HydrophobicContact CD1-CB 4.06Å; A123-L127 WeakPolarHBondContact O-CB 3.37Å; A123-L127 VanDerWaalsContact O-CG 3.28Å; A123-L127 WeakPolarHBondContact O-CG 3.21Å; A123-L127 PolarHBondContact O-N 3.18Å; L127-E130 PolarHBondContact O-N 3.41Å; L127-L131 WeakPolarHBondContact O-CB 3.44Å; L127-L131 WeakPolarHBondContact O-CG 3.44Å; L127-L131 PolarHBondContact O-N 3.46Å
128L95.6Very high94.2Very high96 Ų9674.5 Ų74.550%0.50337%0.368SS..Hα-helixtrans-64.1-43.1176.4-174.664.9000111.6L112 S124 A125 Y126 L131 E132L112-L128 HydrophobicContact CD2-CD1 4.37Å; S124-L128 VanDerWaalsContact O-CB 3.3Å; S124-L128 WeakPolarHBondContact O-CB 3.45Å; S124-L128 PolarHBondContact O-N 2.97Å; A125-L128 PolarHBondContact O-N 2.99Å; Y126-L128 VanDerWaalsContact C-N 3.31Å; Y126-L128 PolarHBondContact O-N 3.39Å; L128-L131 PolarHBondContact O-N 3.03Å; L128-E132 WeakPolarHBondContact O-CB 3.33Å; L128-E132 PolarHBondContact O-N 3.41Å
129D95.7Very high94Very high97 Ų9773.9 Ų73.952%0.51936%0.364SS..Hα-helixtrans-63.6-41.2176.4-174.564.5000112.3A125 Y126 E132 T133A125-D129 WeakPolarHBondContact O-CB 3.3Å; A125-D129 PolarHBondContact O-N 3.36Å; Y126-D129 PolarHBondContact O-N 2.89Å; D129-E132 PolarHBondContact O-N 3.44Å; D129-T133 WeakPolarHBondContact O-CB 3.43Å; D129-T133 PolarHBondContact O-N 3.01Å; D129-T133 PolarHBondContact O-OG1 2.99Å
130E95.4Very high93.8Very high31 Ų3173.8 Ų73.815%0.14536%0.359CS..Hα-helixtrans-64.5-41.5176-177.267.4-158.500111.5V95 L101 Y126 L127 T133 R134V95-E130 HydrophobicContact CG1-CG 3.71Å; L101-E130 HydrophobicContact CD1-CG 3.73Å; L101-E130 HydrophobicContact CD2-CG 4.38Å; Y126-E130 WeakPolarHBondContact O-CB 3.5Å; Y126-E130 PolarHBondContact O-N 3.49Å; L127-E130 PolarHBondContact O-N 3.41Å; E130-T133 PolarHBondContact O-N 2.99Å; E130-R134 WeakPolarHBondContact O-CG 3.25Å; E130-R134 PolarHBondContact O-N 3.37Å; E130-R134 IonicContact OE1-CZ 3.36Å; E130-R134 VanDerWaalsContact OE1-CZ 3.31Å; E130-R134 IonicContact OE1-NE 3.31Å; E130-R134 PolarHBondContact OE1-NE 3.27Å; E130-R134 IonicContact OE1-NH2 2.79Å; E130-R134 PolarHBondContact OE1-NH2 3.04Å
131L93Very high93.4Very high33 Ų3378.7 Ų78.717%0.17338%0.384CS..Hα-helixtrans-63.7-43.3175.4-72.9171.6000111.9L101 F102 L112 L127 L128 R134 R135L101-L131 HydrophobicContact CB-CD2 3.92Å; L101-L131 HydrophobicContact CD1-CD2 3.87Å; L101-L131 HydrophobicContact CD1-CG 4.41Å; F102-L131 HydrophobicContact CD1-CD2 4.46Å; F102-L131 HydrophobicContact CE1-CD2 3.59Å; F102-L131 HydrophobicContact CE2-CD2 4.02Å; F102-L131 HydrophobicContact CZ-CD2 3.34Å; L112-L131 HydrophobicContact CD2-CD1 3.77Å; L127-L131 WeakPolarHBondContact O-CB 3.44Å; L127-L131 WeakPolarHBondContact O-CG 3.44Å; L127-L131 PolarHBondContact O-N 3.46Å; L128-L131 PolarHBondContact O-N 3.03Å; L131-R134 PolarHBondContact O-N 3.26Å; L131-R135 WeakPolarHBondContact O-CB 3.46Å; L131-R135 PolarHBondContact O-N 3.04Å
132E94.1Very high93.2Very high61 Ų6176.2 Ų76.229%0.28537%0.372SS..Hα-helixtrans-60.2-48.5174.9-174.762.2-143.400111L128 D129 R134 R135 L136L128-E132 WeakPolarHBondContact O-CB 3.33Å; L128-E132 PolarHBondContact O-N 3.41Å; D129-E132 PolarHBondContact O-N 3.44Å; E132-R134 VanDerWaalsContact C-N 3.33Å; E132-R134 PolarHBondContact O-N 3.13Å; E132-R135 VanDerWaalsContact CD-CZ 3.42Å; E132-R135 WeakPolarHBondContact O-CB 3.4Å; E132-R135 PolarHBondContact O-N 3.14Å; E132-R135 VanDerWaalsContact O-N 3.15Å; E132-R135 IonicContact OE1-CZ 2.69Å; E132-R135 VanDerWaalsContact OE1-CZ 3.26Å; E132-R135 IonicContact OE1-NE 2.63Å; E132-R135 IonicContact OE1-NH1 2.92Å; E132-R135 IonicContact OE1-NH2 2.91Å; E132-R135 PolarHBondContact OE1-NH2 3Å; E132-R135 IonicContact OE2-CZ 3.26Å; E132-R135 IonicContact OE2-NE 3.87Å; E132-R135 IonicContact OE2-NH1 3.86Å; E132-R135 PolarHBondContact OE2-NH1 3.15Å; E132-R135 IonicContact OE2-NH2 2.61Å; E132-R135 PolarHBondContact OE2-NH2 2.88Å; E132-L136 HydrophobicContact CG-CD1 4.12Å; E132-L136 WeakPolarHBondContact O-CG 3.48Å; E132-L136 PolarHBondContact O-N 2.89Å
133T93.2Very high92.8Very high44 Ų4474 Ų7427%0.2737%0.37SS..Hα-helixtrans-58.5-44.3179.5-65.80000111.6D129 E130 L136 K137D129-T133 WeakPolarHBondContact O-CB 3.43Å; D129-T133 PolarHBondContact O-N 3.01Å; D129-T133 PolarHBondContact O-OG1 2.99Å; E130-T133 PolarHBondContact O-N 2.99Å; T133-L136 PolarHBondContact O-N 3.35Å; T133-K137 HydrophobicContact CG2-CD 4.26Å; T133-K137 WeakPolarHBondContact O-CG 3.33Å; T133-K137 PolarHBondContact O-N 2.95Å
134R91.2Very high92.3Very high115 Ų11576.9 Ų76.943%0.43439%0.39SS..Hα-helixtrans-67.4-38.4177.3-71.9-178.7-173.8-125.70.2112.2E130 L131 E132 M138E130-R134 WeakPolarHBondContact O-CG 3.25Å; E130-R134 PolarHBondContact O-N 3.37Å; E130-R134 IonicContact OE1-CZ 3.36Å; E130-R134 VanDerWaalsContact OE1-CZ 3.31Å; E130-R134 IonicContact OE1-NE 3.31Å; E130-R134 PolarHBondContact OE1-NE 3.27Å; E130-R134 IonicContact OE1-NH2 2.79Å; E130-R134 PolarHBondContact OE1-NH2 3.04Å; L131-R134 PolarHBondContact O-N 3.26Å; E132-R134 VanDerWaalsContact C-N 3.33Å; E132-R134 PolarHBondContact O-N 3.13Å; R134-M138 PolarHBondContact O-N 2.87Å; R134-M138 VanDerWaalsContact O-N 3.13Å
135R92.5Very high91.7Very high137 Ų13780.9 Ų80.952%0.51741%0.41SS..Hα-helixtrans-63.4-45.6175.5-170179.876.3-132.210.3111.6L131 E132 M138 I139L131-R135 WeakPolarHBondContact O-CB 3.46Å; L131-R135 PolarHBondContact O-N 3.04Å; E132-R135 VanDerWaalsContact CD-CZ 3.42Å; E132-R135 WeakPolarHBondContact O-CB 3.4Å; E132-R135 PolarHBondContact O-N 3.14Å; E132-R135 VanDerWaalsContact O-N 3.15Å; E132-R135 IonicContact OE1-CZ 2.69Å; E132-R135 VanDerWaalsContact OE1-CZ 3.26Å; E132-R135 IonicContact OE1-NE 2.63Å; E132-R135 IonicContact OE1-NH1 2.92Å; E132-R135 IonicContact OE1-NH2 2.91Å; E132-R135 PolarHBondContact OE1-NH2 3Å; E132-R135 IonicContact OE2-CZ 3.26Å; E132-R135 IonicContact OE2-NE 3.87Å; E132-R135 IonicContact OE2-NH1 3.86Å; E132-R135 PolarHBondContact OE2-NH1 3.15Å; E132-R135 IonicContact OE2-NH2 2.61Å; E132-R135 PolarHBondContact OE2-NH2 2.88Å; R135-M138 WeakPolarHBondContact O-CB 3.46Å; R135-M138 PolarHBondContact O-N 3.36Å; R135-I139 HydrophobicContact CG-CD1 4.37Å; R135-I139 WeakPolarHBondContact O-CG1 3.49Å; R135-I139 PolarHBondContact O-N 2.69Å; R135-I139 VanDerWaalsContact O-N 3.14Å
136L92.4Very high91.1Very high92 Ų9283.7 Ų83.748%0.48242%0.415SS..Hα-helixtrans-64.9-45.1179.4-70.4174.8000112.1E132 T133 M138 I139 E140E132-L136 HydrophobicContact CG-CD1 4.12Å; E132-L136 WeakPolarHBondContact O-CG 3.48Å; E132-L136 PolarHBondContact O-N 2.89Å; T133-L136 PolarHBondContact O-N 3.35Å; L136-M138 PolarHBondContact O-N 3.41Å; L136-I139 PolarHBondContact O-N 2.98Å; L136-I139 VanDerWaalsContact O-N 3.09Å; L136-E140 PolarHBondContact O-N 3.48Å
137K91.6Very high90.4Very high120 Ų12084 Ų8452%0.52243%0.427SS..Hα-helixtrans-56-38.9174-75174.9-177.7174.40111.8T133 L141T133-K137 HydrophobicContact CG2-CD 4.26Å; T133-K137 WeakPolarHBondContact O-CG 3.33Å; T133-K137 PolarHBondContact O-N 2.95Å; K137-L141 WeakPolarHBondContact O-CB 3.41Å; K137-L141 VanDerWaalsContact O-CG 3.25Å; K137-L141 WeakPolarHBondContact O-CG 3.42Å; K137-L141 PolarHBondContact O-N 3.48Å
138M89.8Confident89.6Confident111 Ų11188.1 Ų88.155%0.54745%0.452SS..Hα-helixtrans-63.8-45.7175.8-174.465.874.600112.2R134 R135 L136 E140 L141 Q142R134-M138 PolarHBondContact O-N 2.87Å; R134-M138 VanDerWaalsContact O-N 3.13Å; R135-M138 WeakPolarHBondContact O-CB 3.46Å; R135-M138 PolarHBondContact O-N 3.36Å; L136-M138 PolarHBondContact O-N 3.41Å; M138-E140 VanDerWaalsContact C-N 3.34Å; M138-E140 PolarHBondContact O-N 2.9Å; M138-L141 PolarHBondContact O-N 2.98Å; M138-Q142 VanDerWaalsContact O-CG 3.29Å; M138-Q142 WeakPolarHBondContact O-CG 3.41Å; M138-Q142 PolarHBondContact O-N 3.02Å
139I91Very high88.7Confident82 Ų8289.2 Ų89.242%0.42146%0.457SS..Hα-helixtrans-64.4-39.1179.1-66167.1000111.4R135 L136 Q142 S143R135-I139 HydrophobicContact CG-CD1 4.37Å; R135-I139 WeakPolarHBondContact O-CG1 3.49Å; R135-I139 PolarHBondContact O-N 2.69Å; R135-I139 VanDerWaalsContact O-N 3.14Å; L136-I139 PolarHBondContact O-N 2.98Å; L136-I139 VanDerWaalsContact O-N 3.09Å; I139-Q142 PolarHBondContact O-N 3.48Å; I139-S143 WeakPolarHBondContact O-CB 3.42Å; I139-S143 PolarHBondContact O-N 2.96Å; I139-S143 PolarHBondContact O-OG 3.42Å
140E91.2Very high87.9Confident132 Ų13287 Ų8762%0.61745%0.45SS*.Hα-helixtrans-65.3-43.6177-173-179.7-175.300111.9L136 M138 S143 S144L136-E140 PolarHBondContact O-N 3.48Å; M138-E140 VanDerWaalsContact C-N 3.34Å; M138-E140 PolarHBondContact O-N 2.9Å; E140-S143 PolarHBondContact O-N 2.83Å; E140-S144 WeakPolarHBondContact O-CB 3.29Å; E140-S144 PolarHBondContact O-N 3.09Å; E140-S144 PolarHBondContact O-OG 2.61Å
141L87.4Confident86.9Confident106 Ų10691 Ų9156%0.55547%0.471SS*.Hα-helixtrans-63.2-40.8175-73.6170.2000111.7K137 M138 S144 N145K137-L141 WeakPolarHBondContact O-CB 3.41Å; K137-L141 VanDerWaalsContact O-CG 3.25Å; K137-L141 WeakPolarHBondContact O-CG 3.42Å; K137-L141 PolarHBondContact O-N 3.48Å; M138-L141 PolarHBondContact O-N 2.98Å; L141-S144 PolarHBondContact O-N 3.38Å; L141-N145 WeakPolarHBondContact O-CB 3.42Å; L141-N145 VanDerWaalsContact O-CG 3.28Å; L141-N145 PolarHBondContact O-N 2.63Å; L141-N145 PolarHBondContact O-ND2 3.35Å
142Q88.9Confident85.9Confident108 Ų10893.6 Ų93.651%0.50549%0.492SS..Hα-helixtrans-62.3-44.4175-74.1174.6-28.300111.7M138 I139 N145 I146M138-Q142 VanDerWaalsContact O-CG 3.29Å; M138-Q142 WeakPolarHBondContact O-CG 3.41Å; M138-Q142 PolarHBondContact O-N 3.02Å; I139-Q142 PolarHBondContact O-N 3.48Å; Q142-N145 PolarHBondContact O-N 3.38Å; Q142-I146 WeakPolarHBondContact O-CG1 3.45Å; Q142-I146 PolarHBondContact O-N 3.03Å; Q142-I146 VanDerWaalsContact O-N 3.09Å
143S86.9Confident84.7Confident70 Ų70101 Ų10149%0.4952%0.517SS..Hα-helixtrans-65.2-43.1179.2-57.30000111.8I139 E140 I146 A147I139-S143 WeakPolarHBondContact O-CB 3.42Å; I139-S143 PolarHBondContact O-N 2.96Å; I139-S143 PolarHBondContact O-OG 3.42Å; E140-S143 PolarHBondContact O-N 2.83Å; S143-I146 PolarHBondContact O-N 3.47Å; S143-A147 PolarHBondContact O-N 3.13Å
144S84.5Confident83.2Confident60 Ų60106.8 Ų106.842%0.4254%0.541SS..Hα-helixtrans-62-43.8175.9-64.80000112.2E140 L141 I146 A147 V148E140-S144 WeakPolarHBondContact O-CB 3.29Å; E140-S144 PolarHBondContact O-N 3.09Å; E140-S144 PolarHBondContact O-OG 2.61Å; L141-S144 PolarHBondContact O-N 3.38Å; S144-I146 VanDerWaalsContact C-N 3.35Å; S144-I146 PolarHBondContact O-N 3.12Å; S144-A147 PolarHBondContact O-N 2.95Å; S144-V148 WeakPolarHBondContact O-CG2 3.49Å; S144-V148 PolarHBondContact O-N 3.34Å
145N84.2Confident81.4Confident102 Ų102109.2 Ų109.255%0.54558%0.575SS.*Hα-helixtrans-62.1-41176.9-76.5-21.2000112.1L141 Q142 V148 L149L141-N145 WeakPolarHBondContact O-CB 3.42Å; L141-N145 VanDerWaalsContact O-CG 3.28Å; L141-N145 PolarHBondContact O-N 2.63Å; L141-N145 PolarHBondContact O-ND2 3.35Å; Q142-N145 PolarHBondContact O-N 3.38Å; N145-V148 PolarHBondContact O-N 3.46Å; N145-L149 WeakPolarHBondContact O-CB 3.21Å; N145-L149 WeakPolarHBondContact O-CD1 3.34Å; N145-L149 WeakPolarHBondContact O-CG 3.44Å; N145-L149 PolarHBondContact O-N 2.95Å
146I82.6Confident80.9Confident118 Ų118107.8 Ų107.861%0.60558%0.578SS**Hα-helixtrans-65-40.4176.8-68.1166.3000111.1Q142 S143 S144 L149 S150Q142-I146 WeakPolarHBondContact O-CG1 3.45Å; Q142-I146 PolarHBondContact O-N 3.03Å; Q142-I146 VanDerWaalsContact O-N 3.09Å; S143-I146 PolarHBondContact O-N 3.47Å; S144-I146 VanDerWaalsContact C-N 3.35Å; S144-I146 PolarHBondContact O-N 3.12Å; I146-L149 PolarHBondContact O-N 3.31Å; I146-S150 PolarHBondContact O-N 3.38Å; I146-S150 PolarHBondContact O-OG 3Å
147A81.6Confident80.3Confident48 Ų48108.6 Ų108.640%0.39758%0.583SS.*Hα-helixtrans-66.8-38.6178.300000113S143 S144 S150 N151S143-A147 PolarHBondContact O-N 3.13Å; S144-A147 PolarHBondContact O-N 2.95Å; A147-S150 PolarHBondContact O-N 3.47Å; A147-S150 PolarHBondContact O-OG 3.04Å; A147-N151 PolarHBondContact O-N 3.26Å; A147-N151 VanDerWaalsContact O-N 3.13Å
148V79.8Confident79.6Confident88 Ų88108 Ų10853%0.53359%0.587SS.*Hα-helixtrans-64.7-44.7173.3173.80000110.4S144 N145 S150 N151 C152S144-V148 WeakPolarHBondContact O-CG2 3.49Å; S144-V148 PolarHBondContact O-N 3.34Å; N145-V148 PolarHBondContact O-N 3.46Å; V148-S150 VanDerWaalsContact C-N 3.31Å; V148-S150 PolarHBondContact O-N 3.09Å; V148-N151 PolarHBondContact O-N 3.45Å; V148-C152 PolarHBondContact O-N 3.31Å; V148-C152 VanDerWaalsContact O-N 3.12Å; V148-C152 PolarHBondContact O-SG 3.25Å; V148-C152 VanDerWaalsContact O-SG 3.38Å
149L76.7Confident79Confident118 Ų118107.8 Ų107.862%0.61859%0.589SS**Hα-helixtrans-64.5-32.1178.8-71.4169.6000113.2N145 I146N145-L149 WeakPolarHBondContact O-CB 3.21Å; N145-L149 WeakPolarHBondContact O-CD1 3.34Å; N145-L149 WeakPolarHBondContact O-CG 3.44Å; N145-L149 PolarHBondContact O-N 2.95Å; I146-L149 PolarHBondContact O-N 3.31Å
150S77.4Confident78.3Confident52 Ų52109.4 Ų109.436%0.36460%0.599SS.*Hα-helixtrans-75.1-37.6175.6670000112.4I146 A147 V148 R153 H154I146-S150 PolarHBondContact O-N 3.38Å; I146-S150 PolarHBondContact O-OG 3Å; A147-S150 PolarHBondContact O-N 3.47Å; A147-S150 PolarHBondContact O-OG 3.04Å; V148-S150 VanDerWaalsContact C-N 3.31Å; V148-S150 PolarHBondContact O-N 3.09Å; S150-R153 PolarHBondContact O-N 3.2Å; S150-H154 PolarHBondContact O-ND1 2.95Å
151N75.3Confident77.4Confident113 Ų113107.9 Ų107.960%0.60460%0.598SS**Hα-helixtrans-65.4-38.2176-81.2-14.4000112.5A147 V148 R153 H154A147-N151 PolarHBondContact O-N 3.26Å; A147-N151 VanDerWaalsContact O-N 3.13Å; V148-N151 PolarHBondContact O-N 3.45Å; N151-R153 PolarHBondContact O-N 3.21Å; N151-H154 PolarHBondContact O-N 2.82Å
152C72Confident76.7Confident89 Ų89108.1 Ų108.160%0.60160%0.601SS**THydrogen-bonded Turntrans-66-15.8176.2-67.20000114.4V148V148-C152 PolarHBondContact O-N 3.31Å; V148-C152 VanDerWaalsContact O-N 3.12Å; V148-C152 PolarHBondContact O-SG 3.25Å; V148-C152 VanDerWaalsContact O-SG 3.38Å
153R67.5Low75.8Confident217 Ų217108.1 Ų108.182%0.81961%0.609SS**THydrogen-bonded Turntrans-87.5-12176.2-71.5-174.3-173.3-144.61.8114S150 N151S150-R153 PolarHBondContact O-N 3.2Å; N151-R153 PolarHBondContact O-N 3.21Å
154H62Low74.8Confident165 Ų165111.3 Ų111.376%0.76462%0.619SS**  trans-104.71.4-178.2-64.691.7000113.4S150 N151S150-H154 PolarHBondContact O-ND1 2.95Å; N151-H154 PolarHBondContact O-N 2.82Å
155S54.6Low74Confident165 Ų165115.9 Ų115.9100%1.15464%0.637SS**  trans-104.80170.9-54.80000110.1

Retrieved 155 of 155 residues in 32.7 ms (Link to these results)

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