A0A087Y4X5_POEFO Loading...

Tubulin polymerization-promoting protein family member 2

AlphaFold DB , UniProt , Accession A0A087Y4X5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 177 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
1M35.4Very low66.2Low237 Ų23779.9 Ų79.9100%1.16754%0.541SS*.  082.90-61.8-62.3-108.200107.5S3M1-S3 PolarHBondContact O-N 2.89Å
2A34.9Very low68.5Low107 Ų10779.7 Ų79.788%0.88453%0.526SS*.  trans-85.293.8178.600000108G4A2-G4 PolarHBondContact O-N 3.41Å
3S42.4Very low70.4Confident124 Ų12478.1 Ų78.187%0.86752%0.517SS*.  trans-74.467.9161550000108.1M1M1-S3 PolarHBondContact O-N 2.89Å
4G48.3Very low72.2Confident59 Ų5972.6 Ų72.661%0.60848%0.481SS*.  trans-76.8123.6162.100000107A2 A6A2-G4 PolarHBondContact O-N 3.41Å; G4-A6 PolarHBondContact O-N 2.85Å
5S58.5Low73.7Confident98 Ų9867.9 Ų67.969%0.68545%0.45SS*.  trans-48.8114.8163.1168.70000107.7S7S5-S7 PolarHBondContact O-N 3.26Å
6A70.6Confident75Confident13 Ų1369.4 Ų69.411%0.10745%0.448CS..  trans-67.1117.9179.100000108.1G4 A105G4-A6 PolarHBondContact O-N 2.85Å; A6-A105 HydrophobicContact CB-CB 3.79Å
7S80.3Confident76.1Confident48 Ų4870.1 Ų70.134%0.33644%0.443SS..  trans-77.7150.7-177.3800000110.4S5 A9 D10 V11S5-S7 PolarHBondContact O-N 3.26Å; S7-A9 PolarHBondContact O-N 3.16Å; S7-A9 VanDerWaalsContact O-N 3.12Å; S7-D10 WeakPolarHBondContact CB-OD2 3.27Å; S7-D10 PolarHBondContact N-OD2 3.4Å; S7-D10 PolarHBondContact O-N 3.06Å; S7-D10 VanDerWaalsContact OG-CG 3.24Å; S7-D10 PolarHBondContact OG-N 3.47Å; S7-D10 PolarHBondContact OG-OD2 3.25Å; S7-V11 PolarHBondContact O-N 2.66Å
8S84.5Confident77.2Confident61 Ų6166.2 Ų66.243%0.42742%0.418SS..Hα-helixtrans-55.4-30.4175.6-175.50000112.2V11 E12S8-V11 PolarHBondContact O-N 3.31Å; S8-E12 WeakPolarHBondContact O-CB 3.35Å; S8-E12 PolarHBondContact O-N 2.99Å
9A88.9Confident78.1Confident57 Ų5762.8 Ų62.847%0.47140%0.397SS..Hα-helixtrans-68.2-35.7178.600000112.6S7 V11 E12 S13S7-A9 PolarHBondContact O-N 3.16Å; S7-A9 VanDerWaalsContact O-N 3.12Å; A9-V11 VanDerWaalsContact C-N 3.35Å; A9-E12 PolarHBondContact O-N 3.48Å; A9-S13 WeakPolarHBondContact O-CB 3.38Å; A9-S13 PolarHBondContact O-N 3.25Å; A9-S13 PolarHBondContact O-OG 2.87Å
10D91.1Very high79Confident75 Ų7562.9 Ų62.940%0.40140%0.397SS..Hα-helixtrans-69.4-37.3176.8-59.3-52.5000111.2S7 A14 A105S7-D10 WeakPolarHBondContact CB-OD2 3.27Å; S7-D10 PolarHBondContact N-OD2 3.4Å; S7-D10 PolarHBondContact O-N 3.06Å; S7-D10 VanDerWaalsContact OG-CG 3.24Å; S7-D10 PolarHBondContact OG-N 3.47Å; S7-D10 PolarHBondContact OG-OD2 3.25Å; D10-A14 PolarHBondContact O-N 2.78Å; D10-A14 VanDerWaalsContact O-N 3.12Å; D10-A105 HydrophobicContact CB-CB 3.77Å
11V92.9Very high79.6Confident0 Ų062.2 Ų62.20%039%0.389CS..Hα-helixtrans-68.6-40.9175-1790000110.7S7 S8 A9 S13 A14 F15 F73 F76 L80 Y101 V104 A105S7-V11 PolarHBondContact O-N 2.66Å; S8-V11 PolarHBondContact O-N 3.31Å; A9-V11 VanDerWaalsContact C-N 3.35Å; V11-S13 VanDerWaalsContact C-N 3.34Å; V11-A14 PolarHBondContact O-N 2.84Å; V11-F15 WeakPolarHBondContact O-CB 3.22Å; V11-F15 PolarHBondContact O-N 2.79Å; V11-F73 HydrophobicContact CG1-CE2 4.23Å; V11-F76 HydrophobicContact CG1-CE1 3.92Å; V11-L80 HydrophobicContact CG1-CD1 4.32Å; V11-Y101 HydrophobicContact CG1-CD1 4.25Å; V11-Y101 HydrophobicContact CG1-CE1 4.46Å; V11-Y101 HydrophobicContact CG2-CD1 3.94Å; V11-Y101 HydrophobicContact CG2-CG 3.87Å; V11-V104 HydrophobicContact CG1-CB 4.41Å; V11-V104 HydrophobicContact CG1-CG1 3.96Å; V11-A105 HydrophobicContact CG2-CB 4.38Å
12E93.8Very high82Confident77 Ų7754.3 Ų54.336%0.3637%0.368SS..Hα-helixtrans-63.9-40.6175.5-167.5177.4174.100111.7S8 A9 A14 F15 Q16 F73S8-E12 WeakPolarHBondContact O-CB 3.35Å; S8-E12 PolarHBondContact O-N 2.99Å; A9-E12 PolarHBondContact O-N 3.48Å; E12-A14 VanDerWaalsContact C-N 3.34Å; E12-A14 PolarHBondContact O-N 2.57Å; E12-F15 WeakPolarHBondContact O-CB 2.87Å; E12-F15 PolarHBondContact O-N 3.39Å; E12-Q16 WeakPolarHBondContact O-CG 3.5Å; E12-Q16 PolarHBondContact O-N 2.94Å; E12-F73 VanDerWaalsContact CA-CE2 3.44Å; E12-F73 HydrophobicContact CB-CD2 4.31Å; E12-F73 HydrophobicContact CB-CE1 4.01Å; E12-F73 HydrophobicContact CB-CE2 3.74Å; E12-F73 HydrophobicContact CB-CZ 3.56Å; E12-F73 HydrophobicContact CG-CD1 4.17Å; E12-F73 HydrophobicContact CG-CD2 4.11Å; E12-F73 HydrophobicContact CG-CE1 4.09Å; E12-F73 HydrophobicContact CG-CE2 4.06Å; E12-F73 HydrophobicContact CG-CG 4.17Å; E12-F73 HydrophobicContact CG-CZ 4.04Å
13S94.1Very high84.5Confident59 Ų5952.6 Ų52.641%0.41334%0.344SS..Hα-helixtrans-60.8-43.8175.4-61.70000111.5A9 V11 K17A9-S13 WeakPolarHBondContact O-CB 3.38Å; A9-S13 PolarHBondContact O-N 3.25Å; A9-S13 PolarHBondContact O-OG 2.87Å; V11-S13 VanDerWaalsContact C-N 3.34Å; S13-K17 WeakPolarHBondContact O-CD 3.45Å; S13-K17 VanDerWaalsContact O-CG 3.3Å; S13-K17 WeakPolarHBondContact O-CG 3.44Å; S13-K17 PolarHBondContact O-N 3.18Å
14A94.4Very high86.5Confident1 Ų152.6 Ų52.61%0.00834%0.341CS..Hα-helixtrans-62.8-46.8172.600000111.1D10 V11 E12 Q16 K17 F18 V104D10-A14 PolarHBondContact O-N 2.78Å; D10-A14 VanDerWaalsContact O-N 3.12Å; V11-A14 PolarHBondContact O-N 2.84Å; E12-A14 VanDerWaalsContact C-N 3.34Å; E12-A14 PolarHBondContact O-N 2.57Å; A14-Q16 VanDerWaalsContact C-N 3.32Å; A14-Q16 PolarHBondContact O-N 3.33Å; A14-K17 WeakPolarHBondContact O-CB 3.46Å; A14-K17 PolarHBondContact O-N 3.26Å; A14-K17 VanDerWaalsContact O-N 3.15Å; A14-F18 VanDerWaalsContact O-CD2 3.29Å; A14-F18 WeakPolarHBondContact O-CD2 3.35Å; A14-F18 PolarHBondContact O-N 2.96Å; A14-V104 HydrophobicContact CB-CG1 3.9Å; A14-V104 VanDerWaalsContact CB-O 3.26Å; A14-V104 WeakPolarHBondContact CB-O 3.39Å
15F95.4Very high88.3Confident3 Ų357.6 Ų57.61%0.01335%0.349CS..Hα-helixtrans-52.5-48.7176.8172.3-89.8000111.9V11 E12 K17 F18 A19 M31 F73 F76V11-F15 WeakPolarHBondContact O-CB 3.22Å; V11-F15 PolarHBondContact O-N 2.79Å; E12-F15 WeakPolarHBondContact O-CB 2.87Å; E12-F15 PolarHBondContact O-N 3.39Å; F15-K17 PolarHBondContact O-N 3.14Å; F15-F18 PolarHBondContact O-N 3.37Å; F15-A19 HydrophobicContact CE1-CB 4.35Å; F15-A19 WeakPolarHBondContact O-CB 3.49Å; F15-A19 PolarHBondContact O-N 2.91Å; F15-M31 HydrophobicContact CB-CE 4.45Å; F15-M31 HydrophobicContact CD2-CB 4.39Å; F15-M31 HydrophobicContact CD2-CE 3.38Å; F15-M31 HydrophobicContact CD2-SD 4.22Å; F15-M31 HydrophobicContact CE2-CB 3.51Å; F15-M31 HydrophobicContact CE2-CE 3.71Å; F15-M31 HydrophobicContact CE2-CG 4.4Å; F15-M31 HydrophobicContact CE2-SD 4.12Å; F15-M31 HydrophobicContact CG-CE 3.98Å; F15-M31 HydrophobicContact CZ-CB 3.71Å; F15-M31 VanDerWaalsContact O-CE 3.28Å; F15-M31 WeakPolarHBondContact O-CE 3.44Å; F15-F73 HydrophobicContact CB-CD2 3.91Å; F15-F73 HydrophobicContact CB-CE2 4.18Å; F15-F73 HydrophobicContact CD1-CB 4.29Å; F15-F73 HydrophobicContact CD1-CD2 4.05Å; F15-F73 HydrophobicContact CD2-CD2 4.17Å; F15-F73 HydrophobicContact CE1-CB 4.15Å; F15-F73 AromaticContact CG-CD2 3.78Å; F15-F73 HydrophobicContact CG-CD2 3.78Å; F15-F73 HydrophobicContact CZ-CB 4.41Å; F15-F76 HydrophobicContact CB-CE1 4.47Å; F15-F76 HydrophobicContact CD2-CB 3.88Å; F15-F76 AromaticContact CD2-CD1 3.75Å; F15-F76 HydrophobicContact CD2-CD1 3.75Å; F15-F76 AromaticContact CD2-CD2 3.97Å; F15-F76 HydrophobicContact CD2-CD2 3.97Å; F15-F76 HydrophobicContact CD2-CE1 4.26Å; F15-F76 HydrophobicContact CD2-CE2 4.47Å; F15-F76 AromaticContact CD2-CG 3.58Å; F15-F76 HydrophobicContact CD2-CG 3.58Å; F15-F76 HydrophobicContact CE2-CB 3.72Å; F15-F76 HydrophobicContact CE2-CD1 4.46Å; F15-F76 HydrophobicContact CE2-CD2 4.27Å; F15-F76 AromaticContact CE2-CG 3.91Å; F15-F76 HydrophobicContact CE2-CG 3.91Å; F15-F76 HydrophobicContact CG-CD1 4.49Å
16Q94.9Very high89.8Confident91 Ų9154.4 Ų54.443%0.42533%0.328SS..Hα-helixtrans-60.9-44.2179.4-70.2176.78.900112E12 A14 F18 A19 V20E12-Q16 WeakPolarHBondContact O-CG 3.5Å; E12-Q16 PolarHBondContact O-N 2.94Å; A14-Q16 VanDerWaalsContact C-N 3.32Å; A14-Q16 PolarHBondContact O-N 3.33Å; Q16-F18 PolarHBondContact O-N 3.36Å; Q16-A19 PolarHBondContact O-N 3.35Å; Q16-V20 PolarHBondContact O-N 2.97Å; Q16-V20 VanDerWaalsContact O-N 3.13Å
17K94.1Very high90.7Very high81 Ų8159 Ų5935%0.35236%0.355SS..Hα-helixtrans-59.3-44177.1-71.2163.5163.2-162.70112.3S13 A14 F15 D108S13-K17 WeakPolarHBondContact O-CD 3.45Å; S13-K17 VanDerWaalsContact O-CG 3.3Å; S13-K17 WeakPolarHBondContact O-CG 3.44Å; S13-K17 PolarHBondContact O-N 3.18Å; A14-K17 WeakPolarHBondContact O-CB 3.46Å; A14-K17 PolarHBondContact O-N 3.26Å; A14-K17 VanDerWaalsContact O-N 3.15Å; F15-K17 PolarHBondContact O-N 3.14Å; K17-D108 WeakPolarHBondContact CD-OD1 3.15Å; K17-D108 WeakPolarHBondContact CE-OD1 3.45Å; K17-D108 IonicContact NZ-OD1 2.7Å; K17-D108 PolarHBondContact NZ-OD1 3.41Å; K17-D108 IonicContact NZ-OD2 2.76Å; K17-D108 PolarHBondContact NZ-OD2 3.39Å
18F95Very high91.1Very high0 Ų057 Ų570%034%0.342CS..Hα-helixtrans-74.3-32176.7-80-94000112.3A14 F15 Q16 H21 M31 N35 K38 I39 D42 Q107 D108 P109A14-F18 VanDerWaalsContact O-CD2 3.29Å; A14-F18 WeakPolarHBondContact O-CD2 3.35Å; A14-F18 PolarHBondContact O-N 2.96Å; F15-F18 PolarHBondContact O-N 3.37Å; Q16-F18 PolarHBondContact O-N 3.36Å; F18-H21 VanDerWaalsContact O-CB 3.28Å; F18-H21 WeakPolarHBondContact O-CB 3.26Å; F18-H21 PolarHBondContact O-N 3.32Å; F18-M31 HydrophobicContact CB-CE 3.63Å; F18-N35 WeakPolarHBondContact O-CB 3.48Å; F18-N35 VanDerWaalsContact O-CG 3.31Å; F18-N35 PolarHBondContact O-ND2 3.18Å; F18-K38 HydrophobicContact CD1-CG 4.23Å; F18-K38 HydrophobicContact CE1-CG 4.07Å; F18-I39 HydrophobicContact CB-CB 4.25Å; F18-I39 HydrophobicContact CB-CD1 4.12Å; F18-I39 HydrophobicContact CD1-CB 3.58Å; F18-I39 HydrophobicContact CD1-CG1 4.05Å; F18-I39 HydrophobicContact CD2-CB 4.14Å; F18-I39 HydrophobicContact CD2-CD1 3.54Å; F18-I39 HydrophobicContact CD2-CG1 3.7Å; F18-I39 HydrophobicContact CE1-CB 3.85Å; F18-I39 HydrophobicContact CE1-CG1 4.11Å; F18-I39 HydrophobicContact CE2-CB 4.38Å; F18-I39 HydrophobicContact CE2-CD1 4.02Å; F18-I39 HydrophobicContact CE2-CG1 3.77Å; F18-I39 HydrophobicContact CG-CB 3.74Å; F18-I39 HydrophobicContact CG-CD1 3.82Å; F18-I39 HydrophobicContact CG-CG1 3.85Å; F18-I39 HydrophobicContact CZ-CB 4.25Å; F18-I39 HydrophobicContact CZ-CG1 3.97Å; F18-D42 HydrophobicContact CE1-CB 3.94Å; F18-D42 WeakPolarHBondContact CE1-OD2 3.39Å; F18-D42 HydrophobicContact CZ-CB 3.86Å; F18-Q107 HydrophobicContact CE2-CB 4.21Å; F18-D108 VanDerWaalsContact CZ-C 3.44Å; F18-P109 HydrophobicContact CD1-CB 3.77Å; F18-P109 VanDerWaalsContact CE1-CA 3.45Å; F18-P109 HydrophobicContact CE1-CB 3.71Å; F18-P109 HydrophobicContact CG-CB 4.28Å; F18-P109 HydrophobicContact CZ-CB 4.16Å
19A95Very high91.5Very high3 Ų363.4 Ų63.43%0.02536%0.357CS..Hα-helixtrans-63-44179.300000111.8F15 Q16 H21 E30 M31 N35F15-A19 HydrophobicContact CE1-CB 4.35Å; F15-A19 WeakPolarHBondContact O-CB 3.49Å; F15-A19 PolarHBondContact O-N 2.91Å; Q16-A19 PolarHBondContact O-N 3.35Å; A19-H21 VanDerWaalsContact C-N 3.25Å; A19-H21 PolarHBondContact O-N 3.05Å; A19-E30 WeakPolarHBondContact CB-O 3.35Å; A19-M31 HydrophobicContact CB-CB 4.28Å; A19-M31 HydrophobicContact CB-CE 4.36Å; A19-N35 PolarHBondContact O-ND2 3.31Å
20V94.8Very high91.8Very high63 Ų6365.6 Ų65.638%0.38236%0.357SS..THydrogen-bonded Turntrans-79-6.4177.8-55.80000114Q16 G22 D23 A26 G28Q16-V20 PolarHBondContact O-N 2.97Å; Q16-V20 VanDerWaalsContact O-N 3.13Å; V20-G22 PolarHBondContact O-N 3.33Å; V20-D23 PolarHBondContact O-N 3.47Å; V20-A26 HydrophobicContact CB-CB 4.5Å; V20-A26 HydrophobicContact CG1-CB 4.42Å; V20-G28 VanDerWaalsContact CG1-CA 3.5Å
21H92Very high92Very high49 Ų4962 Ų6223%0.22734%0.338CS..THydrogen-bonded Turntrans-66.5120.8-173.3-175.871.5000111.9F18 A19 D23 N35 K38 P109 N111F18-H21 VanDerWaalsContact O-CB 3.28Å; F18-H21 WeakPolarHBondContact O-CB 3.26Å; F18-H21 PolarHBondContact O-N 3.32Å; A19-H21 VanDerWaalsContact C-N 3.25Å; A19-H21 PolarHBondContact O-N 3.05Å; H21-D23 VanDerWaalsContact C-N 3.27Å; H21-D23 PolarHBondContact O-N 3.47Å; H21-N35 PolarHBondContact O-ND2 3.12Å; H21-N35 PolarHBondContact O-OD1 2.99Å; H21-K38 WeakPolarHBondContact NE2-CE 3.12Å; H21-P109 HydrophobicContact CB-CB 4.11Å; H21-P109 HydrophobicContact CB-CG 4.08Å; H21-P109 WeakPolarHBondContact ND1-CB 3.49Å; H21-N111 PolarHBondContact CE1-OD1 2.83Å; H21-N111 VanDerWaalsContact CE1-OD1 3.25Å
22G86.9Confident92.1Very high72 Ų7264.3 Ų64.374%0.74235%0.351SS*.THydrogen-bonded Turntrans78.33.8176.500000115.2V20V20-G22 PolarHBondContact O-N 3.33Å
23D85.9Confident92.2Very high71 Ų7161.4 Ų61.438%0.3834%0.341SS..  trans-132.8103.7173.8-173.5-10.4000110.4V20 H21 Q25 A26V20-D23 PolarHBondContact O-N 3.47Å; H21-D23 VanDerWaalsContact C-N 3.27Å; H21-D23 PolarHBondContact O-N 3.47Å; D23-Q25 PolarHBondContact O-N 2.86Å; D23-Q25 PolarHBondContact OD1-N 3.05Å; D23-A26 HydrophobicContact CB-CB 3.95Å; D23-A26 WeakPolarHBondContact O-CB 3.28Å; D23-A26 PolarHBondContact O-N 2.7Å
24P84.1Confident92.2Very high123 Ų12366.4 Ų66.480%0.79936%0.355SS*.THydrogen-bonded Turntrans-68.9-11.3-177.528.7-34.4000114
25Q86.5Confident92.3Very high164 Ų16466.5 Ų66.577%0.76636%0.356SS*.THydrogen-bonded Turntrans-97.1-6.8177.2-61.5-60.1-49.500112.7D23D23-Q25 PolarHBondContact O-N 2.86Å; D23-Q25 PolarHBondContact OD1-N 3.05Å
26A90Very high92.4Very high32 Ų3266.4 Ų66.426%0.26436%0.355SS..  trans-70.3136.7-179.600000111.4V20 D23V20-A26 HydrophobicContact CB-CB 4.5Å; V20-A26 HydrophobicContact CG1-CB 4.42Å; D23-A26 HydrophobicContact CB-CB 3.95Å; D23-A26 WeakPolarHBondContact O-CB 3.28Å; D23-A26 PolarHBondContact O-N 2.7Å
27T89.3Confident92.4Very high108 Ų10862.9 Ų62.966%0.66334%0.342SS*.  trans-88-5.7-177.958.60000113.7R29T27-R29 PolarHBondContact O-N 3.02Å
28G89.9Confident92.4Very high6 Ų660.8 Ų60.86%0.06233%0.333CS..SBendtrans780.9-176.800000114.9V20V20-G28 VanDerWaalsContact CG1-CA 3.5Å
29R93.1Very high92.4Very high196 Ų19660.8 Ų60.874%0.7433%0.333SS*.SBendtrans-81.4-26.7179.5-63.5-177.7179.6-176.5-0.7113.7T27T27-R29 PolarHBondContact O-N 3.02Å
30E95.1Very high92.4Very high103 Ų10360.7 Ų60.748%0.48133%0.332SS..EExtended strand (participates in β ladder)trans-134148.8-175.8-59.2178.3127.600110A19 V70 I71A19-E30 WeakPolarHBondContact CB-O 3.35Å; E30-V70 HydrophobicContact CB-CB 4.03Å; E30-V70 HydrophobicContact CB-CG2 3.95Å; E30-V70 HydrophobicContact CG-CG2 4.32Å; E30-I71 CarbonylContact C-O 3.53Å; E30-I71 VanDerWaalsContact CA-O 3.29Å; E30-I71 WeakPolarHBondContact CA-O 3.49Å
31M95.4Very high92.4Very high0 Ų062.9 Ų62.90%034%0.336CS..EExtended strand (participates in β ladder)trans-122.9129.3-176.5-178.3-179.4-70.200110.8F15 F18 A19 N35 F36 I39 V70 I71 F76F15-M31 HydrophobicContact CB-CE 4.45Å; F15-M31 HydrophobicContact CD2-CB 4.39Å; F15-M31 HydrophobicContact CD2-CE 3.38Å; F15-M31 HydrophobicContact CD2-SD 4.22Å; F15-M31 HydrophobicContact CE2-CB 3.51Å; F15-M31 HydrophobicContact CE2-CE 3.71Å; F15-M31 HydrophobicContact CE2-CG 4.4Å; F15-M31 HydrophobicContact CE2-SD 4.12Å; F15-M31 HydrophobicContact CG-CE 3.98Å; F15-M31 HydrophobicContact CZ-CB 3.71Å; F15-M31 VanDerWaalsContact O-CE 3.28Å; F15-M31 WeakPolarHBondContact O-CE 3.44Å; F18-M31 HydrophobicContact CB-CE 3.63Å; A19-M31 HydrophobicContact CB-CB 4.28Å; A19-M31 HydrophobicContact CB-CE 4.36Å; M31-N35 HydrophobicContact CG-CB 3.79Å; M31-N35 HydrophobicContact SD-CB 4.49Å; M31-F36 HydrophobicContact CG-CB 4.33Å; M31-F36 VanDerWaalsContact SD-CA 3.52Å; M31-F36 HydrophobicContact SD-CB 3.89Å; M31-F36 HydrophobicContact SD-CD2 4.23Å; M31-I39 HydrophobicContact CE-CD1 4.43Å; M31-I39 HydrophobicContact SD-CG2 4.13Å; M31-V70 CarbonylContact O-C 3.56Å; M31-V70 WeakPolarHBondContact O-CA 3.41Å; M31-I71 HydrophobicContact CB-CG1 4.18Å; M31-I71 PolarHBondContact N-O 2.73Å; M31-I71 PolarHBondContact O-N 3.49Å; M31-F76 HydrophobicContact SD-CD2 4.45Å
32N95.2Very high92.4Very high49 Ų4962.4 Ų62.426%0.26234%0.335SS..EExtended strand (participates in β ladder)trans-78.4163.7173.968.356.9000112.1K34 N35 F36 V70N32-K34 VanDerWaalsContact C-N 3.28Å; N32-K34 PolarHBondContact O-N 3.4Å; N32-K34 WeakPolarHBondContact OD1-CA 3.43Å; N32-K34 WeakPolarHBondContact OD1-CB 3.38Å; N32-K34 PolarHBondContact OD1-N 3.06Å; N32-N35 PolarHBondContact ND2-ND2 3.35Å; N32-N35 PolarHBondContact O-N 3.45Å; N32-N35 VanDerWaalsContact O-N 3.14Å; N32-N35 PolarHBondContact OD1-N 2.93Å; N32-F36 PolarHBondContact O-N 3.18Å; N32-V70 HydrophobicContact CB-CG1 4.16Å
33G95.2Very high92.7Very high16 Ų1659 Ų5917%0.16530%0.301CS..Hα-helixtrans-60.5-32.6-177.700000114.5F36 A37 F60G33-F36 PolarHBondContact O-N 3.34Å; G33-A37 WeakPolarHBondContact O-CB 3.28Å; G33-A37 PolarHBondContact O-N 2.89Å; G33-F60 VanDerWaalsContact CA-CE2 3.47Å
34K94.9Very high93Very high163 Ų16361.9 Ų61.971%0.70931%0.311SS*.Hα-helixtrans-65.2-44.8175.9176.4-170.2170.2-1700111N32 A37 K38N32-K34 VanDerWaalsContact C-N 3.28Å; N32-K34 PolarHBondContact O-N 3.4Å; N32-K34 WeakPolarHBondContact OD1-CA 3.43Å; N32-K34 WeakPolarHBondContact OD1-CB 3.38Å; N32-K34 PolarHBondContact OD1-N 3.06Å; K34-A37 PolarHBondContact O-N 3.15Å; K34-K38 WeakPolarHBondContact O-CB 3.41Å; K34-K38 PolarHBondContact O-N 3.07Å
35N95.5Very high93.4Very high3 Ų356 Ų562%0.01627%0.273CS..Hα-helixtrans-71.1-34.2179.1-71.7-1.7000111.1F18 A19 H21 M31 N32 K38 I39F18-N35 WeakPolarHBondContact O-CB 3.48Å; F18-N35 VanDerWaalsContact O-CG 3.31Å; F18-N35 PolarHBondContact O-ND2 3.18Å; A19-N35 PolarHBondContact O-ND2 3.31Å; H21-N35 PolarHBondContact O-ND2 3.12Å; H21-N35 PolarHBondContact O-OD1 2.99Å; M31-N35 HydrophobicContact CG-CB 3.79Å; M31-N35 HydrophobicContact SD-CB 4.49Å; N32-N35 PolarHBondContact ND2-ND2 3.35Å; N32-N35 PolarHBondContact O-N 3.45Å; N32-N35 VanDerWaalsContact O-N 3.14Å; N32-N35 PolarHBondContact OD1-N 2.93Å; N35-K38 WeakPolarHBondContact O-CB 3.24Å; N35-K38 PolarHBondContact O-N 3.29Å; N35-I39 PolarHBondContact O-N 2.69Å
36F96.9Very high93.8Very high1 Ų149.7 Ų49.70%0.00424%0.244CC..Hα-helixtrans-63.2-47.4170.6-178.5-113.7000112.3M31 N32 G33 K38 I39 C40 V56 F60 I71 F76 A79 L83M31-F36 HydrophobicContact CG-CB 4.33Å; M31-F36 VanDerWaalsContact SD-CA 3.52Å; M31-F36 HydrophobicContact SD-CB 3.89Å; M31-F36 HydrophobicContact SD-CD2 4.23Å; N32-F36 PolarHBondContact O-N 3.18Å; G33-F36 PolarHBondContact O-N 3.34Å; F36-K38 PolarHBondContact O-N 2.9Å; F36-I39 HydrophobicContact CD2-CG2 4.2Å; F36-I39 WeakPolarHBondContact O-CG2 3.04Å; F36-I39 PolarHBondContact O-N 3.33Å; F36-C40 PolarHBondContact O-N 3.34Å; F36-C40 PolarHBondContact O-SG 3.21Å; F36-V56 HydrophobicContact CD1-CG1 3.63Å; F36-V56 HydrophobicContact CE1-CG1 3.45Å; F36-V56 VanDerWaalsContact CE1-CG1 3.45Å; F36-V56 HydrophobicContact CZ-CG1 4.34Å; F36-F60 HydrophobicContact CB-CD2 3.82Å; F36-F60 HydrophobicContact CB-CE2 4.07Å; F36-F60 HydrophobicContact CD1-CB 3.74Å; F36-F60 AromaticContact CD1-CD2 3.53Å; F36-F60 HydrophobicContact CD1-CD2 3.53Å; F36-F60 HydrophobicContact CD1-CG 4.03Å; F36-F60 HydrophobicContact CE1-CB 3.91Å; F36-F60 HydrophobicContact CE1-CD2 4.28Å; F36-F60 AromaticContact CG-CD2 3.79Å; F36-F60 HydrophobicContact CG-CD2 3.79Å; F36-F60 HydrophobicContact CG-CE2 4.46Å; F36-I71 HydrophobicContact CD2-CD1 3.92Å; F36-I71 HydrophobicContact CE2-CD1 4.36Å; F36-I71 HydrophobicContact CG-CD1 4.2Å; F36-F76 AromaticContact CD2-CD2 3.63Å; F36-F76 HydrophobicContact CD2-CD2 3.63Å; F36-F76 AromaticContact CD2-CE2 3.73Å; F36-F76 HydrophobicContact CD2-CE2 3.73Å; F36-F76 AromaticContact CE2-CD2 3.57Å; F36-F76 HydrophobicContact CE2-CD2 3.57Å; F36-F76 AromaticContact CE2-CE2 3.62Å; F36-F76 HydrophobicContact CE2-CE2 3.62Å; F36-A79 HydrophobicContact CE2-CB 3.98Å; F36-A79 HydrophobicContact CZ-CB 3.64Å; F36-L83 HydrophobicContact CZ-CD1 4.29Å
37A95.8Very high93.8Very high17 Ų1750.3 Ų50.314%0.1424%0.243CC..Hα-helixtrans-61.3-32.8173.800000112.1G33 K34 K41 V56G33-A37 WeakPolarHBondContact O-CB 3.28Å; G33-A37 PolarHBondContact O-N 2.89Å; K34-A37 PolarHBondContact O-N 3.15Å; A37-K41 VanDerWaalsContact O-CG 3.28Å; A37-K41 WeakPolarHBondContact O-CG 3.25Å; A37-K41 PolarHBondContact O-N 3.08Å; A37-K41 VanDerWaalsContact O-N 3.14Å; A37-V56 HydrophobicContact CB-CG1 4.45Å
38K94.4Very high93.6Very high38 Ų3848.1 Ų48.117%0.16524%0.242CC..Hα-helixtrans-67.8-49.9176-175174.2172.843.30112.2F18 H21 K34 N35 F36 C40 K41 D42 P109 A110F18-K38 HydrophobicContact CD1-CG 4.23Å; F18-K38 HydrophobicContact CE1-CG 4.07Å; H21-K38 WeakPolarHBondContact NE2-CE 3.12Å; K34-K38 WeakPolarHBondContact O-CB 3.41Å; K34-K38 PolarHBondContact O-N 3.07Å; N35-K38 WeakPolarHBondContact O-CB 3.24Å; N35-K38 PolarHBondContact O-N 3.29Å; F36-K38 PolarHBondContact O-N 2.9Å; K38-C40 PolarHBondContact O-N 3.28Å; K38-K41 PolarHBondContact O-N 2.82Å; K38-D42 WeakPolarHBondContact CE-OD2 3.49Å; K38-D42 IonicContact NZ-OD1 2.73Å; K38-D42 PolarHBondContact NZ-OD1 3.11Å; K38-D42 IonicContact NZ-OD2 2.69Å; K38-D42 PolarHBondContact NZ-OD2 3.47Å; K38-D42 WeakPolarHBondContact O-CB 3.36Å; K38-D42 PolarHBondContact O-N 3.23Å; K38-P109 HydrophobicContact CD-CB 4.44Å; K38-A110 PolarHBondContact NZ-O 3.43Å
39I95.1Very high93.5Very high0 Ų056 Ų560%028%0.275CS..Hα-helixtrans-61.2-37.3177.5-165.3169.1000110.8F18 M31 N35 F36 K41 C43 F76 V104F18-I39 HydrophobicContact CB-CB 4.25Å; F18-I39 HydrophobicContact CB-CD1 4.12Å; F18-I39 HydrophobicContact CD1-CB 3.58Å; F18-I39 HydrophobicContact CD1-CG1 4.05Å; F18-I39 HydrophobicContact CD2-CB 4.14Å; F18-I39 HydrophobicContact CD2-CD1 3.54Å; F18-I39 HydrophobicContact CD2-CG1 3.7Å; F18-I39 HydrophobicContact CE1-CB 3.85Å; F18-I39 HydrophobicContact CE1-CG1 4.11Å; F18-I39 HydrophobicContact CE2-CB 4.38Å; F18-I39 HydrophobicContact CE2-CD1 4.02Å; F18-I39 HydrophobicContact CE2-CG1 3.77Å; F18-I39 HydrophobicContact CG-CB 3.74Å; F18-I39 HydrophobicContact CG-CD1 3.82Å; F18-I39 HydrophobicContact CG-CG1 3.85Å; F18-I39 HydrophobicContact CZ-CB 4.25Å; F18-I39 HydrophobicContact CZ-CG1 3.97Å; M31-I39 HydrophobicContact CE-CD1 4.43Å; M31-I39 HydrophobicContact SD-CG2 4.13Å; N35-I39 PolarHBondContact O-N 2.69Å; F36-I39 HydrophobicContact CD2-CG2 4.2Å; F36-I39 WeakPolarHBondContact O-CG2 3.04Å; F36-I39 PolarHBondContact O-N 3.33Å; I39-K41 VanDerWaalsContact C-N 3.29Å; I39-K41 PolarHBondContact O-N 3.4Å; I39-C43 VanDerWaalsContact CG1-SG 3.52Å; I39-C43 WeakPolarHBondContact O-CB 3.38Å; I39-C43 PolarHBondContact O-N 2.9Å; I39-C43 PolarHBondContact O-SG 2.94Å; I39-F76 HydrophobicContact CD1-CE2 4.36Å; I39-F76 HydrophobicContact CD1-CZ 3.98Å; I39-F76 HydrophobicContact CG2-CE2 3.95Å; I39-F76 HydrophobicContact CG2-CZ 4.49Å; I39-V104 HydrophobicContact CD1-CG1 3.78Å; I39-V104 HydrophobicContact CG1-CG1 4.36Å
40C95.3Very high93.3Very high0 Ų050.1 Ų50.10%026%0.256CS..Hα-helixtrans-65.3-30174.9-65.30000113.7F36 K38 I45 I46 V56F36-C40 PolarHBondContact O-N 3.34Å; F36-C40 PolarHBondContact O-SG 3.21Å; K38-C40 PolarHBondContact O-N 3.28Å; C40-I45 HydrophobicContact CB-CB 4.11Å; C40-I45 HydrophobicContact CB-CG2 4.28Å; C40-I45 WeakPolarHBondContact O-CA 3.26Å; C40-I45 WeakPolarHBondContact O-CB 3.44Å; C40-I45 PolarHBondContact O-N 3.09Å; C40-I46 HydrophobicContact CB-CD1 4.23Å; C40-I46 HydrophobicContact CB-CG1 3.96Å; C40-I46 PolarHBondContact O-N 3.05Å; C40-V56 HydrophobicContact CB-CG1 4.07Å; C40-V56 HydrophobicContact CB-CG2 3.97Å
41K93.7Very high93.3Very high109 Ų10945.2 Ų45.247%0.47423%0.233SC..Hα-helixtrans-78.6-51.7175.5-73.7172.2-174.81770111.8A37 K38 I39 C43 H44 I46A37-K41 VanDerWaalsContact O-CG 3.28Å; A37-K41 WeakPolarHBondContact O-CG 3.25Å; A37-K41 PolarHBondContact O-N 3.08Å; A37-K41 VanDerWaalsContact O-N 3.14Å; K38-K41 PolarHBondContact O-N 2.82Å; I39-K41 VanDerWaalsContact C-N 3.29Å; I39-K41 PolarHBondContact O-N 3.4Å; K41-C43 VanDerWaalsContact C-N 3.35Å; K41-C43 PolarHBondContact O-N 3.13Å; K41-H44 PolarHBondContact O-N 3.01Å; K41-I46 HydrophobicContact CG-CD1 3.65Å; K41-I46 HydrophobicContact CG-CG1 4.47Å
42D92.7Very high93.3Very high39 Ų3947.8 Ų47.821%0.20925%0.249CC..Hα-helixtrans-65.6-38.2-175.4-70.413000111.1F18 K38 H44 A110F18-D42 HydrophobicContact CE1-CB 3.94Å; F18-D42 WeakPolarHBondContact CE1-OD2 3.39Å; F18-D42 HydrophobicContact CZ-CB 3.86Å; K38-D42 WeakPolarHBondContact CE-OD2 3.49Å; K38-D42 IonicContact NZ-OD1 2.73Å; K38-D42 PolarHBondContact NZ-OD1 3.11Å; K38-D42 IonicContact NZ-OD2 2.69Å; K38-D42 PolarHBondContact NZ-OD2 3.47Å; K38-D42 WeakPolarHBondContact O-CB 3.36Å; K38-D42 PolarHBondContact O-N 3.23Å; D42-H44 PolarHBondContact O-N 3.49Å; D42-A110 PolarHBondContact OD2-N 3.42Å
43C93.5Very high93.3Very high2 Ų247.9 Ų47.91%0.01425%0.253CS..THydrogen-bonded Turntrans-82.97.9175.5-53.70000113.2I39 K41 I45 L103 V104 Q107I39-C43 VanDerWaalsContact CG1-SG 3.52Å; I39-C43 WeakPolarHBondContact O-CB 3.38Å; I39-C43 PolarHBondContact O-N 2.9Å; I39-C43 PolarHBondContact O-SG 2.94Å; K41-C43 VanDerWaalsContact C-N 3.35Å; K41-C43 PolarHBondContact O-N 3.13Å; C43-I45 HydrophobicContact CB-CD1 4.36Å; C43-I45 HydrophobicContact CB-CG1 4.33Å; C43-I45 PolarHBondContact O-N 2.73Å; C43-I45 VanDerWaalsContact O-N 3.12Å; C43-L103 WeakPolarHBondContact CB-O 3.22Å; C43-V104 HydrophobicContact CB-CG2 4.18Å; C43-Q107 HydrophobicContact CB-CG 4.37Å; C43-Q107 VanDerWaalsContact SG-CB 3.56Å; C43-Q107 VanDerWaalsContact SG-CG 3.6Å
44H91.4Very high93.3Very high130 Ų13051.5 Ų51.560%0.60227%0.272SS*.THydrogen-bonded Turntrans5529-178.3-59.4-59.2000114.9K41 D42 I46 R87K41-H44 PolarHBondContact O-N 3.01Å; D42-H44 PolarHBondContact O-N 3.49Å; H44-I46 VanDerWaalsContact C-N 3.29Å; H44-R87 PolarHBondContact O-NH1 3.44Å; H44-R87 PolarHBondContact O-NH2 2.96Å
45I93.6Very high93.3Very high0 Ų045 Ų450%025%0.245CC..  trans-68.3-31.1171-68.4168.3000111C40 C43 D47 V51 L80 L83 R87 M100 L103 V104C40-I45 HydrophobicContact CB-CB 4.11Å; C40-I45 HydrophobicContact CB-CG2 4.28Å; C40-I45 WeakPolarHBondContact O-CA 3.26Å; C40-I45 WeakPolarHBondContact O-CB 3.44Å; C40-I45 PolarHBondContact O-N 3.09Å; C43-I45 HydrophobicContact CB-CD1 4.36Å; C43-I45 HydrophobicContact CB-CG1 4.33Å; C43-I45 PolarHBondContact O-N 2.73Å; C43-I45 VanDerWaalsContact O-N 3.12Å; I45-D47 PolarHBondContact O-N 2.87Å; I45-V51 HydrophobicContact CG2-CG1 4.34Å; I45-V51 WeakPolarHBondContact O-CB 3.49Å; I45-L80 HydrophobicContact CD1-CD2 3.78Å; I45-L83 HydrophobicContact CG2-CD1 4.13Å; I45-R87 PolarHBondContact O-NH1 3.25Å; I45-M100 HydrophobicContact CB-CE 4.27Å; I45-M100 HydrophobicContact CD1-CE 3.77Å; I45-M100 HydrophobicContact CG1-CE 3.76Å; I45-M100 HydrophobicContact CG1-SD 4.33Å; I45-M100 HydrophobicContact CG2-CE 3.56Å; I45-M100 HydrophobicContact CG2-SD 4.38Å; I45-L103 HydrophobicContact CG1-CD1 4.5Å; I45-V104 HydrophobicContact CD1-CG2 3.66Å
46I94Very high93.4Very high31 Ų3144.8 Ų44.816%0.15924%0.244CC..  trans-81.1110.5166-56.9-174.3000107.7C40 K41 H44 V51 V56C40-I46 HydrophobicContact CB-CD1 4.23Å; C40-I46 HydrophobicContact CB-CG1 3.96Å; C40-I46 PolarHBondContact O-N 3.05Å; K41-I46 HydrophobicContact CG-CD1 3.65Å; K41-I46 HydrophobicContact CG-CG1 4.47Å; H44-I46 VanDerWaalsContact C-N 3.29Å; I46-V51 HydrophobicContact CG1-CG1 4.45Å; I46-V51 WeakPolarHBondContact CG2-O 3.16Å; I46-V56 HydrophobicContact CD1-CG2 3.86Å; I46-V56 HydrophobicContact CG1-CG2 3.77Å
47D89.2Confident93.3Very high45 Ų4548.8 Ų48.824%0.24127%0.265CS..  trans-92.2-9.6177.5478.8000112.6I45 K49 H50 V51 R87I45-D47 PolarHBondContact O-N 2.87Å; D47-K49 HydrophobicContact CB-CB 4.43Å; D47-K49 PolarHBondContact O-N 3.33Å; D47-K49 PolarHBondContact OD1-N 2.94Å; D47-H50 PolarHBondContact OD1-N 2.84Å; D47-H50 IonicContact OD2-CG 3.58Å; D47-H50 PolarHBondContact OD2-N 3.2Å; D47-H50 IonicContact OD2-ND1 2.89Å; D47-H50 PolarHBondContact OD2-ND1 3.03Å; D47-V51 PolarHBondContact N-O 2.7Å; D47-V51 PolarHBondContact OD1-N 3.34Å; D47-R87 VanDerWaalsContact CA-NH1 3.33Å; D47-R87 VanDerWaalsContact CB-CZ 3.41Å; D47-R87 IonicContact OD2-NE 3.77Å
48G85.4Confident93.3Very high63 Ų6352.7 Ų52.765%0.64928%0.283SS*.SBendtrans66.314.6-169.900000113.2
49K87.8Confident93.5Very high172 Ų17251.5 Ų51.575%0.74828%0.279SS*.SBendtrans-123.8-60.3179.2-64.3-177.6-179.2-178.90111.4D47D47-K49 HydrophobicContact CB-CB 4.43Å; D47-K49 PolarHBondContact O-N 3.33Å; D47-K49 PolarHBondContact OD1-N 2.94Å
50H90.1Very high93.6Very high72 Ų7252.2 Ų52.233%0.33328%0.282SS..SBendtrans-108.3-37.9-175.5-51.6101.6000112.3D47 K86D47-H50 PolarHBondContact OD1-N 2.84Å; D47-H50 IonicContact OD2-CG 3.58Å; D47-H50 PolarHBondContact OD2-N 3.2Å; D47-H50 IonicContact OD2-ND1 2.89Å; D47-H50 PolarHBondContact OD2-ND1 3.03Å; H50-K86 WeakPolarHBondContact CB-O 3.49Å; H50-K86 WeakPolarHBondContact O-CE 3.29Å; H50-K86 WeakPolarHBondContact O-CG 3.46Å
51V94.2Very high93.6Very high0 Ų055.7 Ų55.70%031%0.306CS..SBendtrans-110.4116176.4177.90000107.9I45 I46 D47 V56 L83 K86 R87I45-V51 HydrophobicContact CG2-CG1 4.34Å; I45-V51 WeakPolarHBondContact O-CB 3.49Å; I46-V51 HydrophobicContact CG1-CG1 4.45Å; I46-V51 WeakPolarHBondContact CG2-O 3.16Å; D47-V51 PolarHBondContact N-O 2.7Å; D47-V51 PolarHBondContact OD1-N 3.34Å; V51-V56 HydrophobicContact CG1-CG2 3.96Å; V51-L83 HydrophobicContact CG1-CD2 3.94Å; V51-L83 HydrophobicContact CG2-CD2 4.45Å; V51-K86 HydrophobicContact CG2-CB 4.28Å; V51-K86 HydrophobicContact CG2-CG 4.12Å; V51-R87 HydrophobicContact CG2-CB 3.87Å
52T95.3Very high93.8Very high54 Ų5456.7 Ų56.733%0.33131%0.311SS..  trans-106.1166.4178.867.80000111.2T54 D55 V56T52-T54 PolarHBondContact O-N 3.34Å; T52-D55 WeakPolarHBondContact CB-OD2 3.48Å; T52-D55 PolarHBondContact N-OD2 3.14Å; T52-D55 WeakPolarHBondContact O-CB 3.36Å; T52-D55 PolarHBondContact O-N 3.05Å; T52-D55 VanDerWaalsContact OG1-CG 3.25Å; T52-D55 PolarHBondContact OG1-N 3.22Å; T52-D55 PolarHBondContact OG1-OD2 3.31Å; T52-V56 PolarHBondContact O-N 3.34Å; T52-V56 VanDerWaalsContact O-N 3.15Å
53S94.4Very high93.9Very high51 Ų5155.6 Ų55.636%0.35731%0.305SS..Hα-helixtrans-55.8-39.9174.2-55.70000111.8D55 V56 D57S53-D55 VanDerWaalsContact C-N 3.31Å; S53-D55 PolarHBondContact O-N 2.95Å; S53-V56 WeakPolarHBondContact O-CB 3.35Å; S53-V56 PolarHBondContact O-N 3.04Å; S53-D57 PolarHBondContact O-N 2.95Å
54T95.9Very high94Very high92 Ų9257.7 Ų57.756%0.56431%0.314SS*.Hα-helixtrans-61.5-39.1176.7-53.20000112T52 V56 D57 I58T52-T54 PolarHBondContact O-N 3.34Å; T54-V56 VanDerWaalsContact C-N 3.33Å; T54-V56 PolarHBondContact O-N 3.17Å; T54-D57 PolarHBondContact O-N 2.91Å; T54-I58 HydrophobicContact CG2-CD1 3.98Å; T54-I58 VanDerWaalsContact O-CG1 3.24Å; T54-I58 WeakPolarHBondContact O-CG1 3.5Å; T54-I58 PolarHBondContact O-N 3.27Å
55D95.1Very high94.2Very high25 Ų2554 Ų5413%0.13431%0.307CS..Hα-helixtrans-64.5-40.4176.4-62.4-55.1000112T52 S53 I58 V59 K86T52-D55 WeakPolarHBondContact CB-OD2 3.48Å; T52-D55 PolarHBondContact N-OD2 3.14Å; T52-D55 WeakPolarHBondContact O-CB 3.36Å; T52-D55 PolarHBondContact O-N 3.05Å; T52-D55 VanDerWaalsContact OG1-CG 3.25Å; T52-D55 PolarHBondContact OG1-N 3.22Å; T52-D55 PolarHBondContact OG1-OD2 3.31Å; S53-D55 VanDerWaalsContact C-N 3.31Å; S53-D55 PolarHBondContact O-N 2.95Å; D55-I58 PolarHBondContact O-N 3.38Å; D55-V59 WeakPolarHBondContact O-CG2 3.44Å; D55-V59 PolarHBondContact O-N 3.18Å; D55-K86 VanDerWaalsContact CG-CE 3.49Å; D55-K86 WeakPolarHBondContact OD1-CE 3.13Å; D55-K86 IonicContact OD1-NZ 2.57Å; D55-K86 PolarHBondContact OD1-NZ 2.87Å; D55-K86 WeakPolarHBondContact OD2-CE 3.45Å; D55-K86 IonicContact OD2-NZ 3.33Å; D55-K86 PolarHBondContact OD2-NZ 2.84Å
56V96.6Very high94.1Very high0 Ų063.6 Ų63.60%035%0.348CS..Hα-helixtrans-62.4-44.7175.81750000110.7F36 A37 C40 I46 V51 T52 S53 T54 I58 V59 F60 L83F36-V56 HydrophobicContact CD1-CG1 3.63Å; F36-V56 HydrophobicContact CE1-CG1 3.45Å; F36-V56 VanDerWaalsContact CE1-CG1 3.45Å; F36-V56 HydrophobicContact CZ-CG1 4.34Å; A37-V56 HydrophobicContact CB-CG1 4.45Å; C40-V56 HydrophobicContact CB-CG1 4.07Å; C40-V56 HydrophobicContact CB-CG2 3.97Å; I46-V56 HydrophobicContact CD1-CG2 3.86Å; I46-V56 HydrophobicContact CG1-CG2 3.77Å; V51-V56 HydrophobicContact CG1-CG2 3.96Å; T52-V56 PolarHBondContact O-N 3.34Å; T52-V56 VanDerWaalsContact O-N 3.15Å; S53-V56 WeakPolarHBondContact O-CB 3.35Å; S53-V56 PolarHBondContact O-N 3.04Å; T54-V56 VanDerWaalsContact C-N 3.33Å; T54-V56 PolarHBondContact O-N 3.17Å; V56-I58 PolarHBondContact O-N 3.44Å; V56-V59 PolarHBondContact O-N 3Å; V56-F60 WeakPolarHBondContact O-CB 3.36Å; V56-F60 PolarHBondContact O-N 3.37Å; V56-L83 HydrophobicContact CG2-CD1 4.45Å
57D96Very high94Very high84 Ų8468.3 Ų68.345%0.44938%0.378SS..Hα-helixtrans-64.3-38176.9-72.1-50000112.6S53 T54 S61S53-D57 PolarHBondContact O-N 2.95Å; T54-D57 PolarHBondContact O-N 2.91Å; D57-S61 WeakPolarHBondContact O-CB 3.39Å; D57-S61 PolarHBondContact O-N 3.02Å; D57-S61 PolarHBondContact O-OG 3.23Å
58I96.3Very high94.2Very high100 Ų10067.5 Ų67.551%0.51338%0.378SS..Hα-helixtrans-64.7-50.1175-70.9165.7000110.4T54 D55 V56 F60 S61 K62T54-I58 HydrophobicContact CG2-CD1 3.98Å; T54-I58 VanDerWaalsContact O-CG1 3.24Å; T54-I58 WeakPolarHBondContact O-CG1 3.5Å; T54-I58 PolarHBondContact O-N 3.27Å; D55-I58 PolarHBondContact O-N 3.38Å; V56-I58 PolarHBondContact O-N 3.44Å; I58-F60 PolarHBondContact O-N 3.48Å; I58-S61 PolarHBondContact O-N 2.88Å; I58-S61 VanDerWaalsContact O-N 3.15Å; I58-K62 WeakPolarHBondContact O-CB 3.33Å; I58-K62 PolarHBondContact O-N 3.39Å
59V97.2Very high94.6Very high13 Ų1374.9 Ų74.98%0.07939%0.386CS..Hα-helixtrans-62.9-44.5-179.5170.80000110.6D55 V56 S61 K62 V63 A79 E82 L83D55-V59 WeakPolarHBondContact O-CG2 3.44Å; D55-V59 PolarHBondContact O-N 3.18Å; V56-V59 PolarHBondContact O-N 3Å; V59-S61 PolarHBondContact O-N 2.69Å; V59-K62 WeakPolarHBondContact O-CB 3.39Å; V59-K62 PolarHBondContact O-N 3.35Å; V59-V63 HydrophobicContact CG1-CG1 4.21Å; V59-V63 WeakPolarHBondContact O-CG2 3.46Å; V59-V63 PolarHBondContact O-N 3.04Å; V59-A79 HydrophobicContact CG1-CB 3.69Å; V59-E82 HydrophobicContact CG1-CB 3.98Å; V59-E82 HydrophobicContact CG2-CB 4.32Å; V59-L83 HydrophobicContact CB-CD2 4.38Å; V59-L83 HydrophobicContact CB-CG 4.44Å; V59-L83 HydrophobicContact CG1-CG 4.27Å; V59-L83 HydrophobicContact CG2-CD2 3.77Å; V59-L83 HydrophobicContact CG2-CG 4.13Å
60F97.1Very high95Very high15 Ų1568.8 Ų68.87%0.06636%0.363CS..Hα-helixtrans-54.2-45.5174.1-177.1-96.3000111.2G33 F36 V56 I58 K62 K64 I71G33-F60 VanDerWaalsContact CA-CE2 3.47Å; F36-F60 HydrophobicContact CB-CD2 3.82Å; F36-F60 HydrophobicContact CB-CE2 4.07Å; F36-F60 HydrophobicContact CD1-CB 3.74Å; F36-F60 AromaticContact CD1-CD2 3.53Å; F36-F60 HydrophobicContact CD1-CD2 3.53Å; F36-F60 HydrophobicContact CD1-CG 4.03Å; F36-F60 HydrophobicContact CE1-CB 3.91Å; F36-F60 HydrophobicContact CE1-CD2 4.28Å; F36-F60 AromaticContact CG-CD2 3.79Å; F36-F60 HydrophobicContact CG-CD2 3.79Å; F36-F60 HydrophobicContact CG-CE2 4.46Å; V56-F60 WeakPolarHBondContact O-CB 3.36Å; V56-F60 PolarHBondContact O-N 3.37Å; I58-F60 PolarHBondContact O-N 3.48Å; F60-K62 VanDerWaalsContact C-N 3.26Å; F60-K62 PolarHBondContact O-N 2.87Å; F60-K64 HydrophobicContact CD1-CD 3.69Å; F60-K64 HydrophobicContact CE1-CD 3.42Å; F60-K64 VanDerWaalsContact CE1-CD 3.42Å; F60-K64 HydrophobicContact CZ-CD 4.17Å; F60-K64 WeakPolarHBondContact O-CB 3.35Å; F60-K64 WeakPolarHBondContact O-CD 3.39Å; F60-K64 VanDerWaalsContact O-CG 3.24Å; F60-K64 WeakPolarHBondContact O-CG 3.27Å; F60-K64 PolarHBondContact O-N 3.5Å; F60-I71 HydrophobicContact CD2-CD1 3.9Å; F60-I71 HydrophobicContact CD2-CG1 4.37Å; F60-I71 HydrophobicContact CD2-CG2 3.97Å; F60-I71 HydrophobicContact CE2-CB 4.22Å; F60-I71 HydrophobicContact CE2-CD1 3.84Å; F60-I71 HydrophobicContact CE2-CG1 3.81Å; F60-I71 HydrophobicContact CE2-CG2 3.55Å; F60-I71 HydrophobicContact CZ-CG2 4.02Å
61S96.9Very high95.3Very high73 Ų7365.4 Ų65.451%0.5135%0.348SS..Hα-helixtrans-68.1-25.6179.4-610000114.1D57 I58 V59D57-S61 WeakPolarHBondContact O-CB 3.39Å; D57-S61 PolarHBondContact O-N 3.02Å; D57-S61 PolarHBondContact O-OG 3.23Å; I58-S61 PolarHBondContact O-N 2.88Å; I58-S61 VanDerWaalsContact O-N 3.15Å; V59-S61 PolarHBondContact O-N 2.69Å
62K96.1Very high95.4Very high130 Ų13067.7 Ų67.757%0.56536%0.362SS*.Hα-helixtrans-80.3-43.6179.3-174.1-176.6179.1-171.10112.5I58 V59 F60 E82I58-K62 WeakPolarHBondContact O-CB 3.33Å; I58-K62 PolarHBondContact O-N 3.39Å; V59-K62 WeakPolarHBondContact O-CB 3.39Å; V59-K62 PolarHBondContact O-N 3.35Å; F60-K62 VanDerWaalsContact C-N 3.26Å; F60-K62 PolarHBondContact O-N 2.87Å; K62-E82 VanDerWaalsContact CE-OE1 3.27Å; K62-E82 WeakPolarHBondContact CE-OE1 3.42Å; K62-E82 IonicContact NZ-OE1 2.84Å; K62-E82 PolarHBondContact NZ-OE1 3.4Å; K62-E82 IonicContact NZ-OE2 2.78Å; K62-E82 PolarHBondContact NZ-OE2 2.91Å
63V96.4Very high95.4Very high16 Ų1666.7 Ų66.710%0.09735%0.353CS..Hα-helixtrans-81.7-29-175-58.70000113V59 I71 E75 Q78 A79V59-V63 HydrophobicContact CG1-CG1 4.21Å; V59-V63 WeakPolarHBondContact O-CG2 3.46Å; V59-V63 PolarHBondContact O-N 3.04Å; V63-I71 HydrophobicContact CG2-CG2 4.11Å; V63-E75 HydrophobicContact CB-CB 4.46Å; V63-E75 HydrophobicContact CG2-CB 4.37Å; V63-Q78 HydrophobicContact CG1-CB 4.22Å; V63-A79 HydrophobicContact CG1-CB 4.18Å; V63-A79 HydrophobicContact CG2-CB 4.09Å
64K95.9Very high95.5Very high45 Ų4571.5 Ų71.520%0.19637%0.37CS..SBendtrans-70.7145.9179.975.8-169.8-175.766.60111F60 A68 I71F60-K64 HydrophobicContact CD1-CD 3.69Å; F60-K64 HydrophobicContact CE1-CD 3.42Å; F60-K64 VanDerWaalsContact CE1-CD 3.42Å; F60-K64 HydrophobicContact CZ-CD 4.17Å; F60-K64 WeakPolarHBondContact O-CB 3.35Å; F60-K64 WeakPolarHBondContact O-CD 3.39Å; F60-K64 VanDerWaalsContact O-CG 3.24Å; F60-K64 WeakPolarHBondContact O-CG 3.27Å; F60-K64 PolarHBondContact O-N 3.5Å; K64-A68 WeakPolarHBondContact CD-O 3.16Å; K64-A68 WeakPolarHBondContact CE-O 3.47Å; K64-A68 PolarHBondContact NZ-O 3.15Å; K64-I71 HydrophobicContact CB-CG2 3.47Å; K64-I71 VanDerWaalsContact CB-CG2 3.47Å
65A93.9Very high95.5Very high54 Ų5468.9 Ų68.945%0.44635%0.351SS..PPolyproline II helixtrans-51.2145.5168.200000112.6T67 A68 E75A65-T67 PolarHBondContact O-N 2.98Å; A65-A68 HydrophobicContact CB-CB 4.03Å; A65-A68 VanDerWaalsContact O-CB 3.29Å; A65-A68 WeakPolarHBondContact O-CB 3.43Å; A65-A68 PolarHBondContact O-N 2.9Å; A65-E75 PolarHBondContact N-OE1 2.78Å
66K92Very high95.6Very high200 Ų20067.7 Ų67.787%0.8735%0.345SS*.THydrogen-bonded Turntrans-55.5131.5178.3-166.1175.8-176.7178.60108.8A68K66-A68 PolarHBondContact O-N 2.95Å
67T91.4Very high95.5Very high130 Ų13068.7 Ų68.780%0.79835%0.35SS*.THydrogen-bonded Turntrans70.5-12.6-174.581.50000117.5A65A65-T67 PolarHBondContact O-N 2.98Å
68A93.7Very high95.4Very high29 Ų2970 Ų7024%0.2435%0.354CS..  trans-63.1150.1176.100000112K64 A65 K66K64-A68 WeakPolarHBondContact CD-O 3.16Å; K64-A68 WeakPolarHBondContact CE-O 3.47Å; K64-A68 PolarHBondContact NZ-O 3.15Å; A65-A68 HydrophobicContact CB-CB 4.03Å; A65-A68 VanDerWaalsContact O-CB 3.29Å; A65-A68 WeakPolarHBondContact O-CB 3.43Å; A65-A68 PolarHBondContact O-N 2.9Å; K66-A68 PolarHBondContact O-N 2.95Å
69R94.2Very high95.4Very high217 Ų21765.2 Ų65.282%0.81933%0.329SS*.SBendtrans-105.6-5.3176.8-67.1-178.1177151.5-0.7113.2
70V95.5Very high95.3Very high44 Ų4464.6 Ų64.627%0.26733%0.326SS..EExtended strand (participates in β ladder)trans-133.7163.2-174.7-61.20000109.5E30 M31 N32E30-V70 HydrophobicContact CB-CB 4.03Å; E30-V70 HydrophobicContact CB-CG2 3.95Å; E30-V70 HydrophobicContact CG-CG2 4.32Å; M31-V70 CarbonylContact O-C 3.56Å; M31-V70 WeakPolarHBondContact O-CA 3.41Å; N32-V70 HydrophobicContact CB-CG1 4.16Å
71I96.7Very high95.2Very high1 Ų167 Ų671%0.00534%0.338CS..EExtended strand (participates in β ladder)trans-124.4149.3172.461.1178.3000110.8E30 M31 F36 F60 V63 K64 E75 F76E30-I71 CarbonylContact C-O 3.53Å; E30-I71 VanDerWaalsContact CA-O 3.29Å; E30-I71 WeakPolarHBondContact CA-O 3.49Å; M31-I71 HydrophobicContact CB-CG1 4.18Å; M31-I71 PolarHBondContact N-O 2.73Å; M31-I71 PolarHBondContact O-N 3.49Å; F36-I71 HydrophobicContact CD2-CD1 3.92Å; F36-I71 HydrophobicContact CE2-CD1 4.36Å; F36-I71 HydrophobicContact CG-CD1 4.2Å; F60-I71 HydrophobicContact CD2-CD1 3.9Å; F60-I71 HydrophobicContact CD2-CG1 4.37Å; F60-I71 HydrophobicContact CD2-CG2 3.97Å; F60-I71 HydrophobicContact CE2-CB 4.22Å; F60-I71 HydrophobicContact CE2-CD1 3.84Å; F60-I71 HydrophobicContact CE2-CG1 3.81Å; F60-I71 HydrophobicContact CE2-CG2 3.55Å; F60-I71 HydrophobicContact CZ-CG2 4.02Å; V63-I71 HydrophobicContact CG2-CG2 4.11Å; K64-I71 HydrophobicContact CB-CG2 3.47Å; K64-I71 VanDerWaalsContact CB-CG2 3.47Å; I71-E75 WeakPolarHBondContact CA-OE2 3.31Å; I71-E75 HydrophobicContact CB-CB 3.93Å; I71-E75 HydrophobicContact CG2-CB 4.29Å; I71-F76 HydrophobicContact CD1-CB 4.01Å; I71-F76 HydrophobicContact CD1-CD2 4.24Å
72T96.9Very high95.1Very high48 Ų4867.2 Ų67.229%0.29433%0.331SS..EExtended strand (participates in β ladder)trans-81.7173.7170.770.10000111.4E74 E75 F76T72-E74 VanDerWaalsContact C-N 3.26Å; T72-E74 PolarHBondContact O-N 3.03Å; T72-E74 PolarHBondContact OG1-N 2.94Å; T72-E75 PolarHBondContact N-OE2 3.34Å; T72-E75 PolarHBondContact O-N 2.85Å; T72-E75 PolarHBondContact OG1-N 2.84Å; T72-F76 WeakPolarHBondContact O-CB 3.45Å; T72-F76 PolarHBondContact O-N 2.62Å
73F95.7Very high95Very high33 Ų3361.1 Ų61.115%0.14531%0.305CS..Hα-helixtrans-62.2-32.6174.1-178.2-115.6000113V11 E12 F15 F76 N77V11-F73 HydrophobicContact CG1-CE2 4.23Å; E12-F73 VanDerWaalsContact CA-CE2 3.44Å; E12-F73 HydrophobicContact CB-CD2 4.31Å; E12-F73 HydrophobicContact CB-CE1 4.01Å; E12-F73 HydrophobicContact CB-CE2 3.74Å; E12-F73 HydrophobicContact CB-CZ 3.56Å; E12-F73 HydrophobicContact CG-CD1 4.17Å; E12-F73 HydrophobicContact CG-CD2 4.11Å; E12-F73 HydrophobicContact CG-CE1 4.09Å; E12-F73 HydrophobicContact CG-CE2 4.06Å; E12-F73 HydrophobicContact CG-CG 4.17Å; E12-F73 HydrophobicContact CG-CZ 4.04Å; F15-F73 HydrophobicContact CB-CD2 3.91Å; F15-F73 HydrophobicContact CB-CE2 4.18Å; F15-F73 HydrophobicContact CD1-CB 4.29Å; F15-F73 HydrophobicContact CD1-CD2 4.05Å; F15-F73 HydrophobicContact CD2-CD2 4.17Å; F15-F73 HydrophobicContact CE1-CB 4.15Å; F15-F73 AromaticContact CG-CD2 3.78Å; F15-F73 HydrophobicContact CG-CD2 3.78Å; F15-F73 HydrophobicContact CZ-CB 4.41Å; F73-F76 HydrophobicContact CD2-CD1 4.09Å; F73-F76 HydrophobicContact CE2-CD1 4.15Å; F73-F76 WeakPolarHBondContact O-CB 3.41Å; F73-F76 PolarHBondContact O-N 3.29Å; F73-N77 WeakPolarHBondContact CE1-ND2 3.36Å; F73-N77 WeakPolarHBondContact CZ-ND2 3.29Å; F73-N77 PolarHBondContact O-N 3.13Å; F73-N77 PolarHBondContact O-ND2 3.32Å
74E95.4Very high94.8Very high153 Ų15360.4 Ų60.472%0.71530%0.3SS*.Hα-helixtrans-67.3-47.5177.1-63.3-176140.300111.3T72 F76 N77 Q78T72-E74 VanDerWaalsContact C-N 3.26Å; T72-E74 PolarHBondContact O-N 3.03Å; T72-E74 PolarHBondContact OG1-N 2.94Å; E74-F76 VanDerWaalsContact C-N 3.29Å; E74-F76 PolarHBondContact O-N 3.39Å; E74-N77 PolarHBondContact O-N 3.07Å; E74-Q78 PolarHBondContact O-N 2.85Å
75E96.6Very high94.6Very high36 Ų3661.7 Ų61.717%0.16831%0.313CS..Hα-helixtrans-65.1-34.4175.8-68.1172.414100111.4V63 A65 I71 T72 Q78 A79V63-E75 HydrophobicContact CB-CB 4.46Å; V63-E75 HydrophobicContact CG2-CB 4.37Å; A65-E75 PolarHBondContact N-OE1 2.78Å; I71-E75 WeakPolarHBondContact CA-OE2 3.31Å; I71-E75 HydrophobicContact CB-CB 3.93Å; I71-E75 HydrophobicContact CG2-CB 4.29Å; T72-E75 PolarHBondContact N-OE2 3.34Å; T72-E75 PolarHBondContact O-N 2.85Å; T72-E75 PolarHBondContact OG1-N 2.84Å; E75-Q78 PolarHBondContact O-N 3.12Å; E75-A79 PolarHBondContact O-N 3.33Å
76F96.7Very high94.5Very high0 Ų063.1 Ų63.10%031%0.309CS..Hα-helixtrans-62-44.2171.8174.5-101.8000112.2V11 F15 M31 F36 I39 I71 T72 F73 E74 Q78 A79 L80 V104V11-F76 HydrophobicContact CG1-CE1 3.92Å; F15-F76 HydrophobicContact CB-CE1 4.47Å; F15-F76 HydrophobicContact CD2-CB 3.88Å; F15-F76 AromaticContact CD2-CD1 3.75Å; F15-F76 HydrophobicContact CD2-CD1 3.75Å; F15-F76 AromaticContact CD2-CD2 3.97Å; F15-F76 HydrophobicContact CD2-CD2 3.97Å; F15-F76 HydrophobicContact CD2-CE1 4.26Å; F15-F76 HydrophobicContact CD2-CE2 4.47Å; F15-F76 AromaticContact CD2-CG 3.58Å; F15-F76 HydrophobicContact CD2-CG 3.58Å; F15-F76 HydrophobicContact CE2-CB 3.72Å; F15-F76 HydrophobicContact CE2-CD1 4.46Å; F15-F76 HydrophobicContact CE2-CD2 4.27Å; F15-F76 AromaticContact CE2-CG 3.91Å; F15-F76 HydrophobicContact CE2-CG 3.91Å; F15-F76 HydrophobicContact CG-CD1 4.49Å; M31-F76 HydrophobicContact SD-CD2 4.45Å; F36-F76 AromaticContact CD2-CD2 3.63Å; F36-F76 HydrophobicContact CD2-CD2 3.63Å; F36-F76 AromaticContact CD2-CE2 3.73Å; F36-F76 HydrophobicContact CD2-CE2 3.73Å; F36-F76 AromaticContact CE2-CD2 3.57Å; F36-F76 HydrophobicContact CE2-CD2 3.57Å; F36-F76 AromaticContact CE2-CE2 3.62Å; F36-F76 HydrophobicContact CE2-CE2 3.62Å; I39-F76 HydrophobicContact CD1-CE2 4.36Å; I39-F76 HydrophobicContact CD1-CZ 3.98Å; I39-F76 HydrophobicContact CG2-CE2 3.95Å; I39-F76 HydrophobicContact CG2-CZ 4.49Å; I71-F76 HydrophobicContact CD1-CB 4.01Å; I71-F76 HydrophobicContact CD1-CD2 4.24Å; T72-F76 WeakPolarHBondContact O-CB 3.45Å; T72-F76 PolarHBondContact O-N 2.62Å; F73-F76 HydrophobicContact CD2-CD1 4.09Å; F73-F76 HydrophobicContact CE2-CD1 4.15Å; F73-F76 WeakPolarHBondContact O-CB 3.41Å; F73-F76 PolarHBondContact O-N 3.29Å; E74-F76 VanDerWaalsContact C-N 3.29Å; E74-F76 PolarHBondContact O-N 3.39Å; F76-Q78 VanDerWaalsContact C-N 3.33Å; F76-Q78 PolarHBondContact O-N 3.04Å; F76-A79 VanDerWaalsContact O-CB 3.29Å; F76-A79 WeakPolarHBondContact O-CB 3.14Å; F76-A79 PolarHBondContact O-N 2.88Å; F76-A79 VanDerWaalsContact O-N 3.14Å; F76-L80 HydrophobicContact CD1-CD1 4.12Å; F76-L80 HydrophobicContact CE1-CD1 3.48Å; F76-L80 VanDerWaalsContact CE1-CD1 3.48Å; F76-L80 HydrophobicContact CE1-CG 4.15Å; F76-L80 HydrophobicContact CE2-CD2 4.5Å; F76-L80 HydrophobicContact CZ-CD1 3.76Å; F76-L80 HydrophobicContact CZ-CD2 4.18Å; F76-L80 HydrophobicContact CZ-CG 4.11Å; F76-L80 WeakPolarHBondContact O-CG 3.35Å; F76-L80 PolarHBondContact O-N 2.78Å; F76-V104 HydrophobicContact CZ-CG1 4.35Å
77N94.4Very high94.5Very high22 Ų2255.7 Ų55.712%0.11828%0.276CS..Hα-helixtrans-62.6-40.7174.5-86-45.3000112.1F73 E74 A79 L80 I81 Y101F73-N77 WeakPolarHBondContact CE1-ND2 3.36Å; F73-N77 WeakPolarHBondContact CZ-ND2 3.29Å; F73-N77 PolarHBondContact O-N 3.13Å; F73-N77 PolarHBondContact O-ND2 3.32Å; E74-N77 PolarHBondContact O-N 3.07Å; N77-A79 VanDerWaalsContact C-N 3.28Å; N77-A79 PolarHBondContact O-N 3.41Å; N77-L80 PolarHBondContact O-N 2.92Å; N77-I81 WeakPolarHBondContact O-CG1 3.47Å; N77-I81 PolarHBondContact O-N 3.2Å; N77-Y101 VanDerWaalsContact OD1-CE1 3.31Å; N77-Y101 WeakPolarHBondContact OD1-CE1 3.2Å; N77-Y101 PolarHBondContact OD1-OH 3.36Å
78Q95.4Very high94.4Very high111 Ų11151.2 Ų51.252%0.51925%0.246SC..Hα-helixtrans-60.3-39.1172.9-69.4-176.6-17.900111.9V63 E74 E75 F76 L80 I81 E82V63-Q78 HydrophobicContact CG1-CB 4.22Å; E74-Q78 PolarHBondContact O-N 2.85Å; E75-Q78 PolarHBondContact O-N 3.12Å; F76-Q78 VanDerWaalsContact C-N 3.33Å; F76-Q78 PolarHBondContact O-N 3.04Å; Q78-L80 VanDerWaalsContact C-N 3.32Å; Q78-L80 PolarHBondContact O-N 3.44Å; Q78-I81 PolarHBondContact O-N 3.14Å; Q78-E82 WeakPolarHBondContact O-CG 3.46Å; Q78-E82 PolarHBondContact O-N 3.47Å
79A96.3Very high94.1Very high0 Ų057 Ų570%027%0.265CS..Hα-helixtrans-61.7-40.3175.300000112.3F36 V59 V63 E75 F76 N77 E82 L83F36-A79 HydrophobicContact CE2-CB 3.98Å; F36-A79 HydrophobicContact CZ-CB 3.64Å; V59-A79 HydrophobicContact CG1-CB 3.69Å; V63-A79 HydrophobicContact CG1-CB 4.18Å; V63-A79 HydrophobicContact CG2-CB 4.09Å; E75-A79 PolarHBondContact O-N 3.33Å; F76-A79 VanDerWaalsContact O-CB 3.29Å; F76-A79 WeakPolarHBondContact O-CB 3.14Å; F76-A79 PolarHBondContact O-N 2.88Å; F76-A79 VanDerWaalsContact O-N 3.14Å; N77-A79 VanDerWaalsContact C-N 3.28Å; N77-A79 PolarHBondContact O-N 3.41Å; A79-E82 PolarHBondContact O-N 3.12Å; A79-L83 WeakPolarHBondContact O-CB 3.24Å; A79-L83 WeakPolarHBondContact O-CG 3.29Å; A79-L83 PolarHBondContact O-N 3.25Å
80L94.4Very high93.6Very high0 Ų050.9 Ų50.90%027%0.27CS..Hα-helixtrans-66.1-38.3176.1-65.5178.7000111.8V11 I45 F76 N77 Q78 L83 A84 M100 Y101 V104V11-L80 HydrophobicContact CG1-CD1 4.32Å; I45-L80 HydrophobicContact CD1-CD2 3.78Å; F76-L80 HydrophobicContact CD1-CD1 4.12Å; F76-L80 HydrophobicContact CE1-CD1 3.48Å; F76-L80 VanDerWaalsContact CE1-CD1 3.48Å; F76-L80 HydrophobicContact CE1-CG 4.15Å; F76-L80 HydrophobicContact CE2-CD2 4.5Å; F76-L80 HydrophobicContact CZ-CD1 3.76Å; F76-L80 HydrophobicContact CZ-CD2 4.18Å; F76-L80 HydrophobicContact CZ-CG 4.11Å; F76-L80 WeakPolarHBondContact O-CG 3.35Å; F76-L80 PolarHBondContact O-N 2.78Å; N77-L80 PolarHBondContact O-N 2.92Å; Q78-L80 VanDerWaalsContact C-N 3.32Å; Q78-L80 PolarHBondContact O-N 3.44Å; L80-L83 PolarHBondContact O-N 2.97Å; L80-A84 VanDerWaalsContact O-CB 3.28Å; L80-A84 WeakPolarHBondContact O-CB 3.36Å; L80-A84 PolarHBondContact O-N 3.33Å; L80-M100 HydrophobicContact CD2-CE 3.6Å; L80-Y101 HydrophobicContact CB-CE1 4.4Å; L80-Y101 HydrophobicContact CD1-CD1 3.83Å; L80-Y101 HydrophobicContact CD1-CE1 3.62Å; L80-V104 HydrophobicContact CD2-CG2 4.47Å
81I94.1Very high93.3Very high64 Ų6453 Ų5333%0.32828%0.275SS..Hα-helixtrans-64.2-41.6174.7-65165000111.1N77 Q78 P85 V97N77-I81 WeakPolarHBondContact O-CG1 3.47Å; N77-I81 PolarHBondContact O-N 3.2Å; Q78-I81 PolarHBondContact O-N 3.14Å; I81-P85 WeakPolarHBondContact O-CD 3.39Å; I81-V97 HydrophobicContact CB-CG2 4.42Å; I81-V97 HydrophobicContact CG1-CG1 4.46Å; I81-V97 HydrophobicContact CG1-CG2 3.93Å
82E94.5Very high93Very high79 Ų7955.2 Ų55.237%0.36929%0.291SS..Hα-helixtrans-65.1-37.7176.3-74.4-101.316700112.6V59 K62 Q78 A79V59-E82 HydrophobicContact CG1-CB 3.98Å; V59-E82 HydrophobicContact CG2-CB 4.32Å; K62-E82 VanDerWaalsContact CE-OE1 3.27Å; K62-E82 WeakPolarHBondContact CE-OE1 3.42Å; K62-E82 IonicContact NZ-OE1 2.84Å; K62-E82 PolarHBondContact NZ-OE1 3.4Å; K62-E82 IonicContact NZ-OE2 2.78Å; K62-E82 PolarHBondContact NZ-OE2 2.91Å; Q78-E82 WeakPolarHBondContact O-CG 3.46Å; Q78-E82 PolarHBondContact O-N 3.47Å; A79-E82 PolarHBondContact O-N 3.12Å
83L94Very high92.5Very high2 Ų259.1 Ų59.11%0.0131%0.306CS..Hα-helixtrans-80.7-28.3-179.9-70.8172.8000113.5F36 I45 V51 V56 V59 A79 L80 K86 R87 M100F36-L83 HydrophobicContact CZ-CD1 4.29Å; I45-L83 HydrophobicContact CG2-CD1 4.13Å; V51-L83 HydrophobicContact CG1-CD2 3.94Å; V51-L83 HydrophobicContact CG2-CD2 4.45Å; V56-L83 HydrophobicContact CG2-CD1 4.45Å; V59-L83 HydrophobicContact CB-CD2 4.38Å; V59-L83 HydrophobicContact CB-CG 4.44Å; V59-L83 HydrophobicContact CG1-CG 4.27Å; V59-L83 HydrophobicContact CG2-CD2 3.77Å; V59-L83 HydrophobicContact CG2-CG 4.13Å; A79-L83 WeakPolarHBondContact O-CB 3.24Å; A79-L83 WeakPolarHBondContact O-CG 3.29Å; A79-L83 PolarHBondContact O-N 3.25Å; L80-L83 PolarHBondContact O-N 2.97Å; L83-K86 PolarHBondContact O-N 3.02Å; L83-R87 PolarHBondContact O-N 3.14Å; L83-M100 HydrophobicContact CB-CE 3.97Å
84A93.3Very high92.2Very high0 Ų064.8 Ų64.80%033%0.333CS..Hα-helixtrans-51.7-53.2-177.700000114.5L80 K86 R87 F88 A96 V97 M100L80-A84 VanDerWaalsContact O-CB 3.28Å; L80-A84 WeakPolarHBondContact O-CB 3.36Å; L80-A84 PolarHBondContact O-N 3.33Å; A84-K86 VanDerWaalsContact C-N 3.26Å; A84-K86 PolarHBondContact O-N 3.44Å; A84-R87 PolarHBondContact O-N 3.05Å; A84-F88 PolarHBondContact O-N 3.36Å; A84-A96 HydrophobicContact CB-CB 3.87Å; A84-V97 HydrophobicContact CB-CG2 3.86Å; A84-M100 HydrophobicContact CB-CG 3.87Å
85P92.3Very high91.9Very high72 Ų7262.6 Ų62.647%0.46832%0.322SS..Hα-helixtrans-68.1-28-178.627.5-35.7000112.4I81I81-P85 WeakPolarHBondContact O-CD 3.39Å
86K92.1Very high91.6Very high84 Ų8460.9 Ų60.937%0.36532%0.315SS..Hα-helixtrans-71.9-40176.5-169.9163.7179.8156.70110.9H50 V51 D55 L83 A84H50-K86 WeakPolarHBondContact CB-O 3.49Å; H50-K86 WeakPolarHBondContact O-CE 3.29Å; H50-K86 WeakPolarHBondContact O-CG 3.46Å; V51-K86 HydrophobicContact CG2-CB 4.28Å; V51-K86 HydrophobicContact CG2-CG 4.12Å; D55-K86 VanDerWaalsContact CG-CE 3.49Å; D55-K86 WeakPolarHBondContact OD1-CE 3.13Å; D55-K86 IonicContact OD1-NZ 2.57Å; D55-K86 PolarHBondContact OD1-NZ 2.87Å; D55-K86 WeakPolarHBondContact OD2-CE 3.45Å; D55-K86 IonicContact OD2-NZ 3.33Å; D55-K86 PolarHBondContact OD2-NZ 2.84Å; L83-K86 PolarHBondContact O-N 3.02Å; A84-K86 VanDerWaalsContact C-N 3.26Å; A84-K86 PolarHBondContact O-N 3.44Å
87R90.3Very high91.3Very high44 Ų4461.8 Ų61.817%0.16632%0.32CS..Hα-helixtrans-76.1-44.3179.5-178.854-179-118.4-3.7113.4H44 I45 D47 V51 L83 A84 M100H44-R87 PolarHBondContact O-NH1 3.44Å; H44-R87 PolarHBondContact O-NH2 2.96Å; I45-R87 PolarHBondContact O-NH1 3.25Å; D47-R87 VanDerWaalsContact CA-NH1 3.33Å; D47-R87 VanDerWaalsContact CB-CZ 3.41Å; D47-R87 IonicContact OD2-NE 3.77Å; V51-R87 HydrophobicContact CG2-CB 3.87Å; L83-R87 PolarHBondContact O-N 3.14Å; A84-R87 PolarHBondContact O-N 3.05Å; R87-M100 HydrophobicContact CB-SD 4.24Å; R87-M100 HydrophobicContact CG-SD 4.23Å
88F90.4Very high91.1Very high37 Ų3764.8 Ų64.816%0.16233%0.333CS..SBendtrans-113.867.1-174-61.7-70.6000111A84 G90 K91 A96 H99 M100 L103A84-F88 PolarHBondContact O-N 3.36Å; F88-G90 PolarHBondContact O-N 3.02Å; F88-K91 HydrophobicContact CB-CD 4.16Å; F88-K91 HydrophobicContact CB-CG 4.45Å; F88-K91 PolarHBondContact O-N 3.3Å; F88-A96 HydrophobicContact CB-CB 3.89Å; F88-A96 HydrophobicContact CD2-CB 4.26Å; F88-A96 HydrophobicContact CG-CB 4.49Å; F88-H99 HydrophobicContact CD1-CB 4.48Å; F88-H99 HydrophobicContact CD2-CB 4.04Å; F88-H99 HydrophobicContact CE1-CB 4.04Å; F88-H99 HydrophobicContact CE2-CB 3.54Å; F88-H99 HydrophobicContact CG-CB 4.48Å; F88-H99 HydrophobicContact CZ-CB 3.55Å; F88-M100 HydrophobicContact CD2-CG 4.24Å; F88-M100 HydrophobicContact CD2-SD 4.32Å; F88-M100 HydrophobicContact CE2-CG 3.84Å; F88-M100 HydrophobicContact CE2-SD 3.73Å; F88-L103 HydrophobicContact CZ-CD1 4.06Å
89K86.8Confident90.9Very high149 Ų14963.6 Ų63.665%0.64833%0.328SS*.THydrogen-bonded Turntrans-59133.3177.4-63.9-176.1179.2-177.90110.8
90G84.8Confident90.7Very high89 Ų8963.6 Ų63.692%0.91833%0.328SS*.THydrogen-bonded Turntrans863.7175.900000115.7F88F88-G90 PolarHBondContact O-N 3.02Å
91K88.6Confident90.6Very high89 Ų8965 Ų6539%0.38733%0.333SS..SBendtrans-97.6161.1168.9-63-168.2-179.2179.40111.1F88 E95 A96 H99F88-K91 HydrophobicContact CB-CD 4.16Å; F88-K91 HydrophobicContact CB-CG 4.45Å; F88-K91 PolarHBondContact O-N 3.3Å; K91-E95 HydrophobicContact CB-CB 4.38Å; K91-A96 HydrophobicContact CB-CB 4.5Å; K91-H99 PolarHBondContact NZ-CD2 2.78Å; K91-H99 PolarHBondContact NZ-NE2 3.29Å
92S90.8Very high90.5Very high47 Ų4764.2 Ų64.233%0.32934%0.34SS..  trans-63.9155.2169.7820000110.1E94 E95 A96S92-E94 VanDerWaalsContact C-N 3.25Å; S92-E94 PolarHBondContact O-N 3.2Å; S92-E95 PolarHBondContact N-OE2 3.44Å; S92-E95 PolarHBondContact O-N 3.15Å; S92-E95 WeakPolarHBondContact OG-CB 3.46Å; S92-E95 VanDerWaalsContact OG-CG 3.27Å; S92-E95 WeakPolarHBondContact OG-CG 3.42Å; S92-E95 PolarHBondContact OG-N 2.92Å; S92-A96 WeakPolarHBondContact O-CB 3.38Å; S92-A96 PolarHBondContact O-N 3.15Å
93Q86.3Confident90.4Very high130 Ų13062.8 Ų62.861%0.60734%0.335SS*.Hα-helixtrans-58.9-40.6179.6-177.7173.2-18.800111.3A96 V97Q93-A96 PolarHBondContact O-N 3.2Å; Q93-V97 VanDerWaalsContact O-CG2 3.26Å; Q93-V97 WeakPolarHBondContact O-CG2 3.3Å; Q93-V97 PolarHBondContact O-N 3.45Å
94E88Confident90.3Very high152 Ų15262.7 Ų62.771%0.7134%0.335SS*.Hα-helixtrans-65.6-44.6179.2-62.5126.8-169.100112S92 V97 Q98S92-E94 VanDerWaalsContact C-N 3.25Å; S92-E94 PolarHBondContact O-N 3.2Å; E94-V97 PolarHBondContact O-N 2.92Å; E94-Q98 WeakPolarHBondContact O-CG 3.38Å; E94-Q98 PolarHBondContact O-N 2.89Å
95E89.4Confident90.2Very high107 Ų10763.7 Ų63.750%0.534%0.343SS..Hα-helixtrans-65.2-41.3177.5-72.2179.7142.900111.6K91 S92 V97 Q98 H99K91-E95 HydrophobicContact CB-CB 4.38Å; S92-E95 PolarHBondContact N-OE2 3.44Å; S92-E95 PolarHBondContact O-N 3.15Å; S92-E95 WeakPolarHBondContact OG-CB 3.46Å; S92-E95 VanDerWaalsContact OG-CG 3.27Å; S92-E95 WeakPolarHBondContact OG-CG 3.42Å; S92-E95 PolarHBondContact OG-N 2.92Å; E95-V97 VanDerWaalsContact C-N 3.34Å; E95-V97 PolarHBondContact O-N 3.38Å; E95-Q98 PolarHBondContact O-N 2.82Å; E95-H99 PolarHBondContact O-CD2 3.44Å; E95-H99 PolarHBondContact O-N 2.9Å
96A91.6Very high89.9Confident1 Ų162.9 Ų62.91%0.00835%0.348CS..Hα-helixtrans-61.9-42.2178.300000111.5A84 F88 K91 S92 Q93 H99 M100A84-A96 HydrophobicContact CB-CB 3.87Å; F88-A96 HydrophobicContact CB-CB 3.89Å; F88-A96 HydrophobicContact CD2-CB 4.26Å; F88-A96 HydrophobicContact CG-CB 4.49Å; K91-A96 HydrophobicContact CB-CB 4.5Å; S92-A96 WeakPolarHBondContact O-CB 3.38Å; S92-A96 PolarHBondContact O-N 3.15Å; Q93-A96 PolarHBondContact O-N 3.2Å; A96-H99 PolarHBondContact O-N 3.4Å; A96-M100 WeakPolarHBondContact O-CG 3.42Å; A96-M100 PolarHBondContact O-N 3.02Å
97V90.4Very high89.8Confident18 Ų1862.6 Ų62.611%0.10935%0.348CS..Hα-helixtrans-66.2-42.8176.5172.90000111.2I81 A84 Q93 E94 E95 H99 M100 Y101I81-V97 HydrophobicContact CB-CG2 4.42Å; I81-V97 HydrophobicContact CG1-CG1 4.46Å; I81-V97 HydrophobicContact CG1-CG2 3.93Å; A84-V97 HydrophobicContact CB-CG2 3.86Å; Q93-V97 VanDerWaalsContact O-CG2 3.26Å; Q93-V97 WeakPolarHBondContact O-CG2 3.3Å; Q93-V97 PolarHBondContact O-N 3.45Å; E94-V97 PolarHBondContact O-N 2.92Å; E95-V97 VanDerWaalsContact C-N 3.34Å; E95-V97 PolarHBondContact O-N 3.38Å; V97-H99 VanDerWaalsContact C-N 3.29Å; V97-H99 PolarHBondContact O-N 3.24Å; V97-M100 WeakPolarHBondContact O-CA 3.41Å; V97-M100 WeakPolarHBondContact O-CB 3.28Å; V97-M100 PolarHBondContact O-N 3.13Å; V97-Y101 HydrophobicContact CG1-CD2 4.22Å; V97-Y101 HydrophobicContact CG1-CE1 4.13Å; V97-Y101 HydrophobicContact CG1-CE2 3.8Å; V97-Y101 PolarHBondContact O-N 3.3Å
98Q90.1Very high89.8Confident85 Ų8564.3 Ų64.340%0.39736%0.36SS..Hα-helixtrans-59.5-40.4175.1-75.6-66.4-29.800112.2E94 E95 Y101 G102E94-Q98 WeakPolarHBondContact O-CG 3.38Å; E94-Q98 PolarHBondContact O-N 2.89Å; E95-Q98 PolarHBondContact O-N 2.82Å; Q98-Y101 PolarHBondContact O-N 3.17Å; Q98-G102 PolarHBondContact O-N 3.43Å
99H91Very high89.8Confident86 Ų8663.9 Ų63.940%0.39836%0.361SS..Hα-helixtrans-65.4-36.8173.2-77.8-64.3000113F88 K91 E95 A96 V97 G102 L103F88-H99 HydrophobicContact CD1-CB 4.48Å; F88-H99 HydrophobicContact CD2-CB 4.04Å; F88-H99 HydrophobicContact CE1-CB 4.04Å; F88-H99 HydrophobicContact CE2-CB 3.54Å; F88-H99 HydrophobicContact CG-CB 4.48Å; F88-H99 HydrophobicContact CZ-CB 3.55Å; K91-H99 PolarHBondContact NZ-CD2 2.78Å; K91-H99 PolarHBondContact NZ-NE2 3.29Å; E95-H99 PolarHBondContact O-CD2 3.44Å; E95-H99 PolarHBondContact O-N 2.9Å; A96-H99 PolarHBondContact O-N 3.4Å; V97-H99 VanDerWaalsContact C-N 3.29Å; V97-H99 PolarHBondContact O-N 3.24Å; H99-G102 PolarHBondContact O-N 3.22Å; H99-L103 WeakPolarHBondContact O-CG 3.17Å; H99-L103 PolarHBondContact O-N 3.42Å
100M91.4Very high89.7Confident0 Ų059.2 Ų59.20%035%0.35CS..Hα-helixtrans-63-44.8173.2-69.1-70.3-6900111.3I45 L80 L83 A84 R87 F88 A96 V97 G102 L103 V104I45-M100 HydrophobicContact CB-CE 4.27Å; I45-M100 HydrophobicContact CD1-CE 3.77Å; I45-M100 HydrophobicContact CG1-CE 3.76Å; I45-M100 HydrophobicContact CG1-SD 4.33Å; I45-M100 HydrophobicContact CG2-CE 3.56Å; I45-M100 HydrophobicContact CG2-SD 4.38Å; L80-M100 HydrophobicContact CD2-CE 3.6Å; L83-M100 HydrophobicContact CB-CE 3.97Å; A84-M100 HydrophobicContact CB-CG 3.87Å; R87-M100 HydrophobicContact CB-SD 4.24Å; R87-M100 HydrophobicContact CG-SD 4.23Å; F88-M100 HydrophobicContact CD2-CG 4.24Å; F88-M100 HydrophobicContact CD2-SD 4.32Å; F88-M100 HydrophobicContact CE2-CG 3.84Å; F88-M100 HydrophobicContact CE2-SD 3.73Å; A96-M100 WeakPolarHBondContact O-CG 3.42Å; A96-M100 PolarHBondContact O-N 3.02Å; V97-M100 WeakPolarHBondContact O-CA 3.41Å; V97-M100 WeakPolarHBondContact O-CB 3.28Å; V97-M100 PolarHBondContact O-N 3.13Å; M100-G102 VanDerWaalsContact C-N 3.34Å; M100-G102 PolarHBondContact O-N 3.44Å; M100-L103 WeakPolarHBondContact O-CB 3.28Å; M100-L103 PolarHBondContact O-N 2.96Å; M100-L103 VanDerWaalsContact O-N 3.14Å; M100-V104 WeakPolarHBondContact O-CG2 3.29Å; M100-V104 PolarHBondContact O-N 3Å
101Y92.6Very high89.2Confident31 Ų3160.1 Ų60.112%0.12233%0.334CS..Hα-helixtrans-62.2-40.9175.9-69.4-12.1000112.2V11 N77 L80 V97 Q98 L103 V104 A105V11-Y101 HydrophobicContact CG1-CD1 4.25Å; V11-Y101 HydrophobicContact CG1-CE1 4.46Å; V11-Y101 HydrophobicContact CG2-CD1 3.94Å; V11-Y101 HydrophobicContact CG2-CG 3.87Å; N77-Y101 VanDerWaalsContact OD1-CE1 3.31Å; N77-Y101 WeakPolarHBondContact OD1-CE1 3.2Å; N77-Y101 PolarHBondContact OD1-OH 3.36Å; L80-Y101 HydrophobicContact CB-CE1 4.4Å; L80-Y101 HydrophobicContact CD1-CD1 3.83Å; L80-Y101 HydrophobicContact CD1-CE1 3.62Å; V97-Y101 HydrophobicContact CG1-CD2 4.22Å; V97-Y101 HydrophobicContact CG1-CE1 4.13Å; V97-Y101 HydrophobicContact CG1-CE2 3.8Å; V97-Y101 PolarHBondContact O-N 3.3Å; Q98-Y101 PolarHBondContact O-N 3.17Å; Y101-L103 PolarHBondContact O-N 3.22Å; Y101-V104 PolarHBondContact O-N 3.41Å; Y101-V104 VanDerWaalsContact O-N 3.11Å; Y101-A105 VanDerWaalsContact O-CB 3.25Å; Y101-A105 WeakPolarHBondContact O-CB 3.48Å; Y101-A105 PolarHBondContact O-N 3.44Å
102G91.6Very high88Confident46 Ų4660.5 Ų60.547%0.47435%0.354SS..Hα-helixtrans-61.7-26.9174.600000114.3Q98 H99 M100Q98-G102 PolarHBondContact O-N 3.43Å; H99-G102 PolarHBondContact O-N 3.22Å; M100-G102 VanDerWaalsContact C-N 3.34Å; M100-G102 PolarHBondContact O-N 3.44Å
103L91.7Very high86.4Confident49 Ų4962.3 Ų62.326%0.25738%0.38SS..Hα-helixtrans-77.1-33174.2-70.9176000112.7C43 I45 F88 H99 M100 Y101 Q107C43-L103 WeakPolarHBondContact CB-O 3.22Å; I45-L103 HydrophobicContact CG1-CD1 4.5Å; F88-L103 HydrophobicContact CZ-CD1 4.06Å; H99-L103 WeakPolarHBondContact O-CG 3.17Å; H99-L103 PolarHBondContact O-N 3.42Å; M100-L103 WeakPolarHBondContact O-CB 3.28Å; M100-L103 PolarHBondContact O-N 2.96Å; M100-L103 VanDerWaalsContact O-N 3.14Å; Y101-L103 PolarHBondContact O-N 3.22Å; L103-Q107 WeakPolarHBondContact O-CG 3.2Å
104V93.1Very high85.1Confident0 Ų060.5 Ų60.50%038%0.378CS..Hα-helixtrans-89.9-35.4-174.9178.60000112.2V11 A14 I39 C43 I45 F76 L80 M100 Y101 G106 Q107V11-V104 HydrophobicContact CG1-CB 4.41Å; V11-V104 HydrophobicContact CG1-CG1 3.96Å; A14-V104 HydrophobicContact CB-CG1 3.9Å; A14-V104 VanDerWaalsContact CB-O 3.26Å; A14-V104 WeakPolarHBondContact CB-O 3.39Å; I39-V104 HydrophobicContact CD1-CG1 3.78Å; I39-V104 HydrophobicContact CG1-CG1 4.36Å; C43-V104 HydrophobicContact CB-CG2 4.18Å; I45-V104 HydrophobicContact CD1-CG2 3.66Å; F76-V104 HydrophobicContact CZ-CG1 4.35Å; L80-V104 HydrophobicContact CD2-CG2 4.47Å; M100-V104 WeakPolarHBondContact O-CG2 3.29Å; M100-V104 PolarHBondContact O-N 3Å; Y101-V104 PolarHBondContact O-N 3.41Å; Y101-V104 VanDerWaalsContact O-N 3.11Å; V104-G106 PolarHBondContact O-N 3.44Å; V104-Q107 WeakPolarHBondContact O-CB 3.34Å; V104-Q107 PolarHBondContact O-N 2.84Å; V104-Q107 VanDerWaalsContact O-N 3.13Å
105A91.4Very high83.5Confident22 Ų2259.3 Ų59.318%0.18238%0.381CS..THydrogen-bonded Turntrans-57.2129.5-177.500000111.4A6 D10 V11 Y101 Q107A6-A105 HydrophobicContact CB-CB 3.79Å; D10-A105 HydrophobicContact CB-CB 3.77Å; V11-A105 HydrophobicContact CG2-CB 4.38Å; Y101-A105 VanDerWaalsContact O-CB 3.25Å; Y101-A105 WeakPolarHBondContact O-CB 3.48Å; Y101-A105 PolarHBondContact O-N 3.44Å; A105-Q107 PolarHBondContact O-N 2.91Å
106G85.5Confident82Confident55 Ų5563.8 Ų63.857%0.56740%0.399SS*.THydrogen-bonded Turntrans71.78.8178.600000115.3V104V104-G106 PolarHBondContact O-N 3.44Å
107Q89.3Confident80.3Confident77 Ų7771.1 Ų71.136%0.3644%0.436SS..  trans-82.4152.8174.5-63.3-60.2-35.700112.1F18 C43 L103 V104 A105F18-Q107 HydrophobicContact CE2-CB 4.21Å; C43-Q107 HydrophobicContact CB-CG 4.37Å; C43-Q107 VanDerWaalsContact SG-CB 3.56Å; C43-Q107 VanDerWaalsContact SG-CG 3.6Å; L103-Q107 WeakPolarHBondContact O-CG 3.2Å; V104-Q107 WeakPolarHBondContact O-CB 3.34Å; V104-Q107 PolarHBondContact O-N 2.84Å; V104-Q107 VanDerWaalsContact O-N 3.13Å; A105-Q107 PolarHBondContact O-N 2.91Å
108D90.5Very high78.6Confident81 Ų8174.6 Ų74.643%0.43346%0.461SS..  trans-130146.3179-76.9-90.2000109.7K17 F18 A110K17-D108 WeakPolarHBondContact CD-OD1 3.15Å; K17-D108 WeakPolarHBondContact CE-OD1 3.45Å; K17-D108 IonicContact NZ-OD1 2.7Å; K17-D108 PolarHBondContact NZ-OD1 3.41Å; K17-D108 IonicContact NZ-OD2 2.76Å; K17-D108 PolarHBondContact NZ-OD2 3.39Å; F18-D108 VanDerWaalsContact CZ-C 3.44Å; D108-A110 PolarHBondContact O-N 3.42Å
109P90.4Very high77.2Confident27 Ų2780 Ų8018%0.17548%0.484CS..  trans-62.5114178.323.8-32.5000110.8F18 H21 K38F18-P109 HydrophobicContact CD1-CB 3.77Å; F18-P109 VanDerWaalsContact CE1-CA 3.45Å; F18-P109 HydrophobicContact CE1-CB 3.71Å; F18-P109 HydrophobicContact CG-CB 4.28Å; F18-P109 HydrophobicContact CZ-CB 4.16Å; H21-P109 HydrophobicContact CB-CB 4.11Å; H21-P109 HydrophobicContact CB-CG 4.08Å; H21-P109 WeakPolarHBondContact ND1-CB 3.49Å; K38-P109 HydrophobicContact CD-CB 4.44Å
110A84.3Confident75.9Confident51 Ų5180.5 Ų80.542%0.42149%0.492SS..  trans-85.2129.5-177.200000111.2K38 D42 D108 A112K38-A110 PolarHBondContact NZ-O 3.43Å; D42-A110 PolarHBondContact OD2-N 3.42Å; D108-A110 PolarHBondContact O-N 3.42Å; A110-A112 VanDerWaalsContact C-N 3.28Å; A110-A112 PolarHBondContact O-N 2.88Å; A110-A112 VanDerWaalsContact O-N 3.09Å
111N74.4Confident74.9Confident108 Ų10884.1 Ų84.158%0.57853%0.53SS*.  trans-86.367.3173.5-74.3-5.7000110.6H21 G113 V114H21-N111 PolarHBondContact CE1-OD1 2.83Å; H21-N111 VanDerWaalsContact CE1-OD1 3.25Å; N111-G113 PolarHBondContact O-N 3.19Å; N111-V114 HydrophobicContact CB-CB 4.32Å; N111-V114 HydrophobicContact CB-CG2 3.77Å
112A63.8Low73.7Confident97 Ų9784.3 Ų84.380%0.80254%0.541SS*.THydrogen-bonded Turntrans-67128.5175.700000110.6A110A110-A112 VanDerWaalsContact C-N 3.28Å; A110-A112 PolarHBondContact O-N 2.88Å; A110-A112 VanDerWaalsContact O-N 3.09Å
113G58.6Low72.7Confident85 Ų8585.7 Ų85.788%0.87654%0.54SS*.THydrogen-bonded Turntrans84.83.7176.400000116N111 T115N111-G113 PolarHBondContact O-N 3.19Å; G113-T115 PolarHBondContact O-N 2.72Å
114V57.7Low71.8Confident93 Ų9390 Ų9056%0.56456%0.564SS**  trans-74.1128171.3179.50000109N111 K116N111-V114 HydrophobicContact CB-CB 4.32Å; N111-V114 HydrophobicContact CB-CG2 3.77Å; V114-K116 PolarHBondContact O-N 3.26Å; V114-K116 VanDerWaalsContact O-N 3.08Å
115T54.5Low71Confident127 Ų12799.3 Ų99.378%0.77960%0.599SS**  trans-56.7115.9168.339.80000107.7G113 I117G113-T115 PolarHBondContact O-N 2.72Å; T115-I117 PolarHBondContact O-N 2.99Å; T115-I117 VanDerWaalsContact O-N 3.13Å
116K57.5Low70.3Confident201 Ų201104.7 Ų104.787%0.87462%0.624SS**  trans-50.4128.1174-67.3-172.1179.3-177.50107.2V114 S118V114-K116 PolarHBondContact O-N 3.26Å; V114-K116 VanDerWaalsContact O-N 3.08Å; K116-S118 PolarHBondContact O-N 3.24Å
117I56.4Low69.9Low155 Ų155106.1 Ų106.180%0.79562%0.621SS**  trans-53112.4174.7-63.4167.6000106.1T115 K119T115-I117 PolarHBondContact O-N 2.99Å; T115-I117 VanDerWaalsContact O-N 3.13Å; I117-K119 PolarHBondContact O-N 2.88Å
118S55Low69.7Low90 Ų90104.5 Ų104.563%0.62962%0.615SS**  trans-69101.3176.9-141.90000106.1K116 V120K116-S118 PolarHBondContact O-N 3.24Å; S118-V120 PolarHBondContact O-N 2.94Å
119K60.6Low69.4Low200 Ų200102.1 Ų102.187%0.8760%0.603SS**  trans-73.249.9170.7-69.2-173.9178.9-175.30109.7I117 G121I117-K119 PolarHBondContact O-N 2.88Å; K119-G121 PolarHBondContact O-N 2.99Å
120V63.8Low69Low96 Ų96105.2 Ų105.258%0.58263%0.626SS**  trans-64.9110.3169.4179.70000105.1S118 G122 V123S118-V120 PolarHBondContact O-N 2.94Å; V120-G122 PolarHBondContact O-N 3.11Å; V120-V123 VanDerWaalsContact O-CG2 3.29Å; V120-V123 WeakPolarHBondContact O-CG2 3.49Å
121G70.8Confident69.1Low76 Ų76109 Ų10978%0.78463%0.633SS**THydrogen-bonded Turntrans-54.7136.3177.600000110.2K119K119-G121 PolarHBondContact O-N 2.99Å
122G66.3Low69.6Low35 Ų35107.4 Ų107.436%0.36162%0.619SS.*THydrogen-bonded Turntrans105.20.917600000116.1V120 D124 R125 L126V120-G122 PolarHBondContact O-N 3.11Å; G122-D124 VanDerWaalsContact C-N 3.31Å; G122-R125 WeakPolarHBondContact O-CB 3.29Å; G122-R125 PolarHBondContact O-N 3.33Å; G122-R125 VanDerWaalsContact O-N 3.15Å; G122-L126 WeakPolarHBondContact O-CB 3.48Å; G122-L126 PolarHBondContact O-N 3.2Å
123V70.3Confident70.7Confident75 Ų75108.3 Ų108.346%0.45562%0.615SS.*Hα-helixtrans-59.9-45169.5-161.70000110.2V120 R125 L126 T127V120-V123 VanDerWaalsContact O-CG2 3.29Å; V120-V123 WeakPolarHBondContact O-CG2 3.49Å; V123-R125 PolarHBondContact O-N 2.99Å; V123-L126 CarbonylContact O-C 3.51Å; V123-L126 WeakPolarHBondContact O-CA 3.43Å; V123-L126 PolarHBondContact O-N 3.19Å; V123-T127 HydrophobicContact CG1-CG2 4.18Å; V123-T127 PolarHBondContact O-N 3.18Å; V123-T127 PolarHBondContact O-OG1 3.25Å
124D73.3Confident71.9Confident140 Ų140107 Ų10775%0.74960%0.601SS**Hα-helixtrans-52.5-42.7172.5-75-87.1000112.3G122 D128G122-D124 VanDerWaalsContact C-N 3.31Å; D124-D128 VanDerWaalsContact O-CB 3.3Å; D124-D128 WeakPolarHBondContact O-CB 3.3Å; D124-D128 PolarHBondContact O-N 3.37Å; D124-D128 VanDerWaalsContact O-N 3.11Å
125R77.3Confident73Confident195 Ų195106.4 Ų106.474%0.73660%0.602SS**Hα-helixtrans-68.6-35.1177-171.3-178.472.2-175.21.7112.2G122 V123G122-R125 WeakPolarHBondContact O-CB 3.29Å; G122-R125 PolarHBondContact O-N 3.33Å; G122-R125 VanDerWaalsContact O-N 3.15Å; V123-R125 PolarHBondContact O-N 2.99Å
126L76.2Confident74.3Confident135 Ų135105 Ų10571%0.70759%0.586SS**Hα-helixtrans-77.6-24.7-178-171.161.6000112.3G122 V123G122-L126 WeakPolarHBondContact O-CB 3.48Å; G122-L126 PolarHBondContact O-N 3.2Å; V123-L126 CarbonylContact O-C 3.51Å; V123-L126 WeakPolarHBondContact O-CA 3.43Å; V123-L126 PolarHBondContact O-N 3.19Å
127T78.1Confident75.7Confident85 Ų85101.4 Ų101.452%0.52157%0.57SS.*SBendtrans-106.89.4179.561.10000113.6V123 T129V123-T127 HydrophobicContact CG1-CG2 4.18Å; V123-T127 PolarHBondContact O-N 3.18Å; V123-T127 PolarHBondContact O-OG1 3.25Å; T127-T129 PolarHBondContact O-N 3.09Å; T127-T129 VanDerWaalsContact O-N 3.11Å
128D83.9Confident77Confident43 Ų4399.3 Ų99.323%0.2356%0.557CS.*  trans-75.694.4178-176.5-3.2000110.7D124 S130 K131D124-D128 VanDerWaalsContact O-CB 3.3Å; D124-D128 WeakPolarHBondContact O-CB 3.3Å; D124-D128 PolarHBondContact O-N 3.37Å; D124-D128 VanDerWaalsContact O-N 3.11Å; D128-S130 PolarHBondContact O-N 2.76Å; D128-S130 VanDerWaalsContact OD1-CB 3.27Å; D128-S130 WeakPolarHBondContact OD1-CB 3.05Å; D128-S130 PolarHBondContact OD1-N 3.11Å; D128-S130 VanDerWaalsContact OD1-N 3.09Å; D128-S130 PolarHBondContact OD1-OG 3.25Å; D128-K131 HydrophobicContact CB-CD 4.34Å; D128-K131 PolarHBondContact O-N 3.15Å; D128-K131 VanDerWaalsContact OD2-CD 3.28Å; D128-K131 WeakPolarHBondContact OD2-CD 3.27Å; D128-K131 WeakPolarHBondContact OD2-CE 3.41Å; D128-K131 IonicContact OD2-NZ 3.33Å; D128-K131 PolarHBondContact OD2-NZ 2.54Å
129T84.2Confident78.5Confident30 Ų3099.5 Ų99.518%0.18454%0.544CS..G310 helixtrans-65.7-19.7-18058.20000113T127 K131 Y132 F140 G144T127-T129 PolarHBondContact O-N 3.09Å; T127-T129 VanDerWaalsContact O-N 3.11Å; T129-K131 PolarHBondContact O-N 3.25Å; T129-Y132 HydrophobicContact CG2-CD2 4.2Å; T129-Y132 HydrophobicContact CG2-CE2 3.67Å; T129-Y132 WeakPolarHBondContact O-CB 3.28Å; T129-Y132 PolarHBondContact O-N 3.28Å; T129-Y132 VanDerWaalsContact O-N 3.15Å; T129-F140 HydrophobicContact CG2-CD1 4.06Å; T129-F140 HydrophobicContact CG2-CE1 4.43Å; T129-F140 HydrophobicContact CG2-CG 4.15Å; T129-G144 WeakPolarHBondContact OG1-CA 3.46Å
130S82.9Confident79.8Confident93 Ų9392.9 Ų92.965%0.6552%0.515SS*.G310 helixtrans-66.4-23.517878.90000112.5D128D128-S130 PolarHBondContact O-N 2.76Å; D128-S130 VanDerWaalsContact OD1-CB 3.27Å; D128-S130 WeakPolarHBondContact OD1-CB 3.05Å; D128-S130 PolarHBondContact OD1-N 3.11Å; D128-S130 VanDerWaalsContact OD1-N 3.09Å; D128-S130 PolarHBondContact OD1-OG 3.25Å
131K85.1Confident80.7Confident129 Ų12990.9 Ų90.956%0.56150%0.501SS*.G310 helixtrans-88.2-2.9177.8-69177.7-178138.90113.5D128 T129D128-K131 HydrophobicContact CB-CD 4.34Å; D128-K131 PolarHBondContact O-N 3.15Å; D128-K131 VanDerWaalsContact OD2-CD 3.28Å; D128-K131 WeakPolarHBondContact OD2-CD 3.27Å; D128-K131 WeakPolarHBondContact OD2-CE 3.41Å; D128-K131 IonicContact OD2-NZ 3.33Å; D128-K131 PolarHBondContact OD2-NZ 2.54Å; T129-K131 PolarHBondContact O-N 3.25Å
132Y86.1Confident81.3Confident76 Ų7697.3 Ų97.330%0.29851%0.511SS..  trans-70.1137.9174.8-63.7-11.9000110.2T129 K137 F140T129-Y132 HydrophobicContact CG2-CD2 4.2Å; T129-Y132 HydrophobicContact CG2-CE2 3.67Å; T129-Y132 WeakPolarHBondContact O-CB 3.28Å; T129-Y132 PolarHBondContact O-N 3.28Å; T129-Y132 VanDerWaalsContact O-N 3.15Å; Y132-K137 WeakPolarHBondContact O-CB 3.47Å; Y132-F140 AromaticContact CD2-CD2 3.71Å; Y132-F140 HydrophobicContact CD2-CD2 3.71Å; Y132-F140 AromaticContact CD2-CE2 3.66Å; Y132-F140 HydrophobicContact CD2-CE2 3.66Å; Y132-F140 AromaticContact CE2-CD2 3.98Å; Y132-F140 HydrophobicContact CE2-CD2 3.98Å; Y132-F140 AromaticContact CE2-CE2 3.59Å; Y132-F140 HydrophobicContact CE2-CE2 3.59Å; Y132-F140 HydrophobicContact CE2-CZ 4.01Å
133T85.5Confident82Confident115 Ų115100.2 Ų100.271%0.70653%0.526SS*.  trans-123.4164.7-177.660.60000110.6H136T133-H136 PolarHBondContact O-N 3.11Å
134G84.6Confident82.4Confident58 Ų5897.7 Ų97.760%0.59852%0.515SS*.G310 helixtrans58.7-144.6-17800000112.5H136 K137G134-H136 PolarHBondContact O-N 3Å; G134-H136 VanDerWaalsContact O-N 3.11Å; G134-K137 WeakPolarHBondContact O-CB 3.39Å; G134-K137 PolarHBondContact O-N 3.44Å
135S80.5Confident83Confident81 Ų8198.2 Ų98.257%0.56651%0.511SS*.G310 helixtrans-63.1-18.9-17758.20000114.3
136H82.3Confident83.5Confident97 Ų9791.1 Ų91.145%0.44950%0.498SS..G310 helixtrans-72.7-26.8173.4-81.2-93.5000113.1T133 G134 R139 F140T133-H136 PolarHBondContact O-N 3.11Å; G134-H136 PolarHBondContact O-N 3Å; G134-H136 VanDerWaalsContact O-N 3.11Å; H136-R139 PolarHBondContact O-N 3.15Å; H136-F140 WeakPolarHBondContact O-CD2 3.36Å
137K85.8Confident83.9Confident126 Ų12689.2 Ų89.255%0.54848%0.484SS..THydrogen-bonded Turntrans-66.6-40.6175.4-169.3178.1178.2-177.30111.5Y132 G134 R139 F140Y132-K137 WeakPolarHBondContact O-CB 3.47Å; G134-K137 WeakPolarHBondContact O-CB 3.39Å; G134-K137 PolarHBondContact O-N 3.44Å; K137-R139 PolarHBondContact O-N 3.31Å; K137-R139 VanDerWaalsContact O-N 3.15Å; K137-F140 PolarHBondContact O-N 3.45Å
138E85.4Confident84.2Confident110 Ų11087 Ų8751%0.51448%0.478SS..THydrogen-bonded Turntrans-65.8-18.6-178.7-59.8-49.9123.700113.3F140 K147 G151E138-F140 VanDerWaalsContact C-N 3.32Å; E138-F140 PolarHBondContact O-N 2.87Å; E138-K147 WeakPolarHBondContact O-CD 3.33Å; E138-G151 WeakPolarHBondContact O-CA 3.48Å
139R85.5Confident83.8Confident95 Ų9590.9 Ų90.936%0.35850%0.498SS..THydrogen-bonded Turntrans-76.9-14.5-178.8-69.4174.9-178.1-167.1-0.2114.2H136 K137 G146 K147 G151 R152H136-R139 PolarHBondContact O-N 3.15Å; K137-R139 PolarHBondContact O-N 3.31Å; K137-R139 VanDerWaalsContact O-N 3.15Å; R139-G146 CarbonylContact O-C 3.47Å; R139-G146 VanDerWaalsContact O-CA 3.32Å; R139-G146 WeakPolarHBondContact O-CA 3.16Å; R139-K147 PolarHBondContact O-N 3.44Å; R139-G151 WeakPolarHBondContact CG-O 3.39Å; R139-R152 HydrophobicContact CG-CG 4.45Å
140F87.1Confident83.5Confident60 Ų6092.9 Ų92.926%0.26351%0.513SS..BIsolated β-bridgetrans-127.8153.7-174.4-57.5-90.8000111.7T129 Y132 H136 K137 E138 G144 K145 K147T129-F140 HydrophobicContact CG2-CD1 4.06Å; T129-F140 HydrophobicContact CG2-CE1 4.43Å; T129-F140 HydrophobicContact CG2-CG 4.15Å; Y132-F140 AromaticContact CD2-CD2 3.71Å; Y132-F140 HydrophobicContact CD2-CD2 3.71Å; Y132-F140 AromaticContact CD2-CE2 3.66Å; Y132-F140 HydrophobicContact CD2-CE2 3.66Å; Y132-F140 AromaticContact CE2-CD2 3.98Å; Y132-F140 HydrophobicContact CE2-CD2 3.98Å; Y132-F140 AromaticContact CE2-CE2 3.59Å; Y132-F140 HydrophobicContact CE2-CE2 3.59Å; Y132-F140 HydrophobicContact CE2-CZ 4.01Å; H136-F140 WeakPolarHBondContact O-CD2 3.36Å; K137-F140 PolarHBondContact O-N 3.45Å; E138-F140 VanDerWaalsContact C-N 3.32Å; E138-F140 PolarHBondContact O-N 2.87Å; F140-G144 WeakPolarHBondContact CD1-O 3.1Å; F140-K145 CarbonylContact C-O 3.52Å; F140-K145 VanDerWaalsContact CA-O 3.29Å; F140-K145 WeakPolarHBondContact CA-O 3.48Å; F140-K147 WeakPolarHBondContact O-CE 3.42Å; F140-K147 PolarHBondContact O-NZ 3.12Å; F140-K147 VanDerWaalsContact O-NZ 3.09Å
141D84.4Confident83.3Confident54 Ų5488.9 Ų88.929%0.28949%0.487SS..  trans-88.4176.2169.267.924.6000112S143 G144 K145 K147D141-S143 PolarHBondContact O-N 2.99Å; D141-S143 WeakPolarHBondContact OD1-CA 3.32Å; D141-S143 WeakPolarHBondContact OD1-CB 3.15Å; D141-S143 PolarHBondContact OD1-N 2.6Å; D141-S143 PolarHBondContact OD1-OG 3.2Å; D141-S143 PolarHBondContact OD2-OG 3.46Å; D141-G144 WeakPolarHBondContact O-CA 3.46Å; D141-G144 PolarHBondContact O-N 2.81Å; D141-G144 PolarHBondContact OD1-N 3.43Å; D141-G144 VanDerWaalsContact OD1-N 3.12Å; D141-K145 PolarHBondContact N-O 2.91Å; D141-K145 WeakPolarHBondContact OD1-CB 3.29Å; D141-K145 PolarHBondContact OD1-N 2.82Å; D141-K145 WeakPolarHBondContact OD2-CB 3.1Å; D141-K147 HydrophobicContact CB-CG 4.28Å
142E81.9Confident83Confident211 Ų21191.6 Ų91.699%0.98649%0.493SS*.THydrogen-bonded Turntrans-63.3-21.3-178.3-62.1-174.8145.300113G144E142-G144 VanDerWaalsContact C-N 3.28Å
143S81.3Confident82.3Confident97 Ų9794 Ų9468%0.67851%0.507SS*.THydrogen-bonded Turntrans-84.1-2.9173.777.10000113.3D141 K145D141-S143 PolarHBondContact O-N 2.99Å; D141-S143 WeakPolarHBondContact OD1-CA 3.32Å; D141-S143 WeakPolarHBondContact OD1-CB 3.15Å; D141-S143 PolarHBondContact OD1-N 2.6Å; D141-S143 PolarHBondContact OD1-OG 3.2Å; D141-S143 PolarHBondContact OD2-OG 3.46Å; S143-K145 VanDerWaalsContact C-N 3.33Å
144G80.1Confident81.3Confident22 Ų2297.2 Ų97.223%0.22752%0.515CS..SBendtrans80.511-176.800000114.3T129 F140 D141 E142T129-G144 WeakPolarHBondContact OG1-CA 3.46Å; F140-G144 WeakPolarHBondContact CD1-O 3.1Å; D141-G144 WeakPolarHBondContact O-CA 3.46Å; D141-G144 PolarHBondContact O-N 2.81Å; D141-G144 PolarHBondContact OD1-N 3.43Å; D141-G144 VanDerWaalsContact OD1-N 3.12Å; E142-G144 VanDerWaalsContact C-N 3.28Å
145K84.3Confident80.2Confident150 Ų150102.1 Ų102.165%0.65252%0.524SS*.  trans-85.1138.3176.6-171.8-179.9-177.3-177.10110F140 D141 S143 K147F140-K145 CarbonylContact C-O 3.52Å; F140-K145 VanDerWaalsContact CA-O 3.29Å; F140-K145 WeakPolarHBondContact CA-O 3.48Å; D141-K145 PolarHBondContact N-O 2.91Å; D141-K145 WeakPolarHBondContact OD1-CB 3.29Å; D141-K145 PolarHBondContact OD1-N 2.82Å; D141-K145 WeakPolarHBondContact OD2-CB 3.1Å; S143-K145 VanDerWaalsContact C-N 3.33Å; K145-K147 PolarHBondContact O-N 2.95Å
146G88.3Confident79.3Confident46 Ų46102.7 Ų102.747%0.47452%0.524SS..BIsolated β-bridgetrans-65.5130-18000000112R139 G148R139-G146 CarbonylContact O-C 3.47Å; R139-G146 VanDerWaalsContact O-CA 3.32Å; R139-G146 WeakPolarHBondContact O-CA 3.16Å; G146-G148 VanDerWaalsContact C-N 3.26Å; G146-G148 PolarHBondContact O-N 3.32Å
147K84.3Confident78.3Confident95 Ų95104.2 Ų104.241%0.41354%0.536SS..  trans-74.4-11.8177.7-72.6174.3174.9160.90113.6E138 R139 F140 D141 K145 S150E138-K147 WeakPolarHBondContact O-CD 3.33Å; R139-K147 PolarHBondContact O-N 3.44Å; F140-K147 WeakPolarHBondContact O-CE 3.42Å; F140-K147 PolarHBondContact O-NZ 3.12Å; F140-K147 VanDerWaalsContact O-NZ 3.09Å; D141-K147 HydrophobicContact CB-CG 4.28Å; K145-K147 PolarHBondContact O-N 2.95Å; K147-S150 PolarHBondContact O-OG 3.09Å
148G84.8Confident77Confident38 Ų38105.1 Ų105.139%0.39255%0.546SS..G310 helixtrans76.1-135.1179.100000112.4G146 S150 G151 R152G146-G148 VanDerWaalsContact C-N 3.26Å; G146-G148 PolarHBondContact O-N 3.32Å; G148-S150 VanDerWaalsContact C-N 3.34Å; G148-S150 PolarHBondContact O-N 3.47Å; G148-G151 PolarHBondContact O-N 3.4Å; G148-R152 WeakPolarHBondContact O-CG 3.42Å
149L75.8Confident75.9Confident126 Ų126103.8 Ų103.866%0.6655%0.549SS*.G310 helixtrans-60.4-40.6-178-81.5155.8000112.5G151 R152 E153L149-G151 PolarHBondContact O-N 3.18Å; L149-R152 PolarHBondContact O-N 3.07Å; L149-E153 PolarHBondContact O-N 3.17Å
150S78.2Confident74.3Confident71 Ų71102.2 Ų102.250%0.49756%0.563SS.*G310 helixtrans-64.3-21.4-179.256.20000114.2K147 G148K147-S150 PolarHBondContact O-OG 3.09Å; G148-S150 VanDerWaalsContact C-N 3.34Å; G148-S150 PolarHBondContact O-N 3.47Å
151G78.4Confident72.6Confident9 Ų9110 Ų1109%0.09359%0.592CS.*G310 helixtrans-95.32.6174.100000114.1E138 R139 G148 L149E138-G151 WeakPolarHBondContact O-CA 3.48Å; R139-G151 WeakPolarHBondContact CG-O 3.39Å; G148-G151 PolarHBondContact O-N 3.4Å; L149-G151 PolarHBondContact O-N 3.18Å
152R78.1Confident71.1Confident186 Ų186112.5 Ų112.570%0.70261%0.609SS**THydrogen-bonded Turntrans-117.4-26.2-177.6-68.1-179.4-176.1-161.62113.2R139 G148 L149R139-R152 HydrophobicContact CG-CG 4.45Å; G148-R152 WeakPolarHBondContact O-CG 3.42Å; L149-R152 PolarHBondContact O-N 3.07Å
153E71Confident69.7Low126 Ų126108.4 Ų108.459%0.58960%0.603SS**SBendtrans-113130.2-179.2-64.5-175.6157.400110.2L149 M155L149-E153 PolarHBondContact O-N 3.17Å; E153-M155 PolarHBondContact O-N 2.94Å
154E65.3Low68.7Low184 Ų184106 Ų10686%0.8659%0.594SS**  trans-69.4106.3162.1-82.9-116136.700107.3T156E154-T156 VanDerWaalsContact C-N 3.27Å; E154-T156 PolarHBondContact O-N 2.89Å
155M61.8Low67.4Low160 Ų160113.7 Ų113.779%0.78862%0.617SS**  trans-7090.7171-73.3-162.4-93.700108.4E153E153-M155 PolarHBondContact O-N 2.94Å
156T60.5Low66.2Low94 Ų94116.4 Ų116.458%0.57763%0.629SS**  trans-66.3132.6169.652.30000109.1E154 N158E154-T156 VanDerWaalsContact C-N 3.27Å; E154-T156 PolarHBondContact O-N 2.89Å; T156-N158 PolarHBondContact O-N 3.01Å
157D62.3Low64.8Low129 Ų129115.9 Ų115.969%0.6962%0.624SS**  trans-65106.4173.4-17825.1000109.5S159D157-S159 PolarHBondContact O-N 3.49Å; D157-S159 VanDerWaalsContact O-N 3.12Å; D157-S159 WeakPolarHBondContact OD1-CB 3.4Å; D157-S159 PolarHBondContact OD1-N 3.25Å; D157-S159 PolarHBondContact OD1-OG 3.12Å; D157-S159 VanDerWaalsContact OD2-CB 3.3Å; D157-S159 WeakPolarHBondContact OD2-CB 3.3Å; D157-S159 PolarHBondContact OD2-OG 2.56Å
158N57.8Low63.4Low145 Ų145115.9 Ų115.978%0.77564%0.636SS**THydrogen-bonded Turntrans-77.117.1177.7-74.1-32.1000112.5T156 G160T156-N158 PolarHBondContact O-N 3.01Å; N158-G160 PolarHBondContact O-N 3.2Å
159S62.1Low62Low82 Ų82117.6 Ų117.657%0.57365%0.654SS**THydrogen-bonded Turntrans-66.1-8.5170.175.10000113.3D157D157-S159 PolarHBondContact O-N 3.49Å; D157-S159 VanDerWaalsContact O-N 3.12Å; D157-S159 WeakPolarHBondContact OD1-CB 3.4Å; D157-S159 PolarHBondContact OD1-N 3.25Å; D157-S159 PolarHBondContact OD1-OG 3.12Å; D157-S159 VanDerWaalsContact OD2-CB 3.3Å; D157-S159 WeakPolarHBondContact OD2-CB 3.3Å; D157-S159 PolarHBondContact OD2-OG 2.56Å
160G51.9Low60.8Low62 Ų62115.4 Ų115.464%0.63965%0.645SS**SBendtrans-77.1117.9178.600000114.7N158N158-G160 PolarHBondContact O-N 3.2Å
161Y51.6Low59.4Low224 Ų224120.9 Ų120.988%0.87866%0.657SS**  trans7869.3166.3-144.8-97.3000117.1
162V53Low58.2Low106 Ų106126.6 Ų126.664%0.64269%0.685SS**  trans-88.3120.2161.1-174.50000108.9G164V162-G164 WeakPolarHBondContact CG1-O 3.47Å; V162-G164 PolarHBondContact O-N 2.79Å
163S53.3Low57Low124 Ų124124.2 Ų124.287%0.86769%0.686SS**SBendtrans-66.874.7164.4175.20000109.4
164G59.8Low55.9Low47 Ų47126.9 Ų126.949%0.48570%0.696SS.*SBendtrans139.468-173.100000112V162 K166V162-G164 WeakPolarHBondContact CG1-O 3.47Å; V162-G164 PolarHBondContact O-N 2.79Å; G164-K166 PolarHBondContact O-N 3.15Å; G164-K166 VanDerWaalsContact O-N 3.15Å
165Y52Low55.2Low184 Ų184122.8 Ų122.872%0.72268%0.683SS**  trans-51.7113.9177.4-166.4-99.4000111.6S168Y165-S168 PolarHBondContact OH-O 3.12Å; Y165-S168 VanDerWaalsContact OH-O 3.12Å
166K59.3Low54.4Low206 Ų206122.4 Ų122.490%0.89668%0.684SS**  trans-109.374.8166.9-77.5-174.6176.91790109.4G164 S168G164-K166 PolarHBondContact O-N 3.15Å; G164-K166 VanDerWaalsContact O-N 3.15Å; K166-S168 PolarHBondContact O-N 3.45Å; K166-S168 VanDerWaalsContact O-N 3.15Å
167G59.9Low53.6Low35 Ų35129 Ų12936%0.36172%0.716SS.*  trans42.855.7150.900000118.2G169G167-G169 PolarHBondContact O-N 3.15Å
168S53.5Low53.2Low96 Ų96129.1 Ų129.167%0.67172%0.718SS**THydrogen-bonded Turntrans-78112.4154.941.70000108.2Y165 K166Y165-S168 PolarHBondContact OH-O 3.12Å; Y165-S168 VanDerWaalsContact OH-O 3.12Å; K166-S168 PolarHBondContact O-N 3.45Å; K166-S168 VanDerWaalsContact O-N 3.15Å
169G56.9Low53Low74 Ų74128.2 Ų128.276%0.76372%0.715SS**THydrogen-bonded Turntrans92.544.9-17900000115.3G167G167-G169 PolarHBondContact O-N 3.15Å
170T50.3Low52.5Low79 Ų79130.8 Ų130.849%0.48572%0.722SS.*  trans-63.3145.1169.837.80000111.9D172 D173T170-D172 PolarHBondContact O-N 3.26Å; T170-D173 PolarHBondContact O-N 3.26Å
171Y47.5Very low52.5Low187 Ų187134.8 Ų134.873%0.73373%0.727SS**G310 helixtrans-57.1-20.1-170.4-165.5-94.6000114.8D173 K174 V175Y171-D173 VanDerWaalsContact C-N 3.33Å; Y171-D173 PolarHBondContact O-N 3.35Å; Y171-K174 PolarHBondContact O-N 3.39Å; Y171-V175 HydrophobicContact CE1-CG2 4.39Å
172D53.6Low52.5Low129 Ų129129.3 Ų129.369%0.6972%0.718SS**G310 helixtrans-64.2-28.4180-72.2-90.8000114.6T170 K174 V175T170-D172 PolarHBondContact O-N 3.26Å; D172-K174 PolarHBondContact O-N 3.03Å; D172-V175 PolarHBondContact O-N 3.35Å
173D52.9Low52.5Low136 Ų136130.8 Ų130.873%0.72772%0.723SS**G310 helixtrans-77.4-4178.6-72.3-42.9000113.5T170 Y171T170-D173 PolarHBondContact O-N 3.26Å; Y171-D173 VanDerWaalsContact C-N 3.33Å; Y171-D173 PolarHBondContact O-N 3.35Å
174K48.8Very low52.5Low181 Ų181131.3 Ų131.379%0.78771%0.713SS**G310 helixtrans-93.4-4.3173.9-71.9-173.7179.2177.50113.7Y171 D172Y171-K174 PolarHBondContact O-N 3.39Å; D172-K174 PolarHBondContact O-N 3.03Å
175V50.5Low51.9Low98 Ų98137.8 Ų137.859%0.59473%0.73SS**  trans-127.949.8-174.8-150.80000111.6Y171 D172Y171-V175 HydrophobicContact CE1-CG2 4.39Å; D172-V175 PolarHBondContact O-N 3.35Å
176N44Very low51.9Low152 Ų152133.9 Ų133.981%0.81373%0.731SS**  trans-121.695.8155.6-80.9-40.7000107.5
177N45.4Very low51.2Low234 Ų234127.4 Ų127.4100%1.25172%0.716SS**  trans-97.30167.1-173.666.1000108.6

Retrieved 177 of 177 residues in 370.2 ms (Link to these results)

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