A0A087Y0F4_POEFO Loading...

COMM domain containing 7

AlphaFold DB , UniProt , Accession A0A087Y0F4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 200 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
1N44.1Very low74.1Confident218 Ų218101.6 Ų101.6100%1.16652%0.521SS*.  093.40-81.2-6.5000108.8Q3N1-Q3 PolarHBondContact O-N 3.32Å
2M56.1Low75Confident140 Ų14099.8 Ų99.869%0.6952%0.52SS*.  trans-85.7107.7176.9-153.2145.7123.600106.8T98M2-T98 HydrophobicContact CB-CG2 4.06Å; M2-T98 WeakPolarHBondContact CE-OG1 3.48Å; M2-T98 HydrophobicContact CG-CG2 4.29Å
3Q78.9Confident75.4Confident145 Ų145103.7 Ų103.768%0.67854%0.543SS*.  trans-79.5130.6-176.2-174.4171.419.300108.7N1N1-Q3 PolarHBondContact O-N 3.32Å
4L88.3Confident76.2Confident26 Ų26100.6 Ų100.614%0.13653%0.534CS..  trans-72.3133.5176.7-65.2167.2000109.8F6 A7 L11 D95 T98 L99L4-F6 VanDerWaalsContact C-N 3.33Å; L4-F6 HydrophobicContact CB-CD1 4.08Å; L4-F6 HydrophobicContact CB-CE1 4.08Å; L4-F6 HydrophobicContact CD1-CE1 3.82Å; L4-F6 HydrophobicContact CD1-CZ 4.25Å; L4-F6 HydrophobicContact CD2-CE1 4.19Å; L4-F6 HydrophobicContact CG-CE1 4.26Å; L4-F6 PolarHBondContact O-N 2.82Å; L4-A7 HydrophobicContact CB-CB 4.47Å; L4-L11 HydrophobicContact CD1-CD1 3.23Å; L4-L11 HydrophobicContact CD1-CG 4.24Å; L4-D95 WeakPolarHBondContact CA-OD1 3.32Å; L4-D95 HydrophobicContact CD2-CB 4.08Å; L4-T98 HydrophobicContact CD2-CG2 3.66Å; L4-T98 HydrophobicContact CG-CG2 4.42Å; L4-L99 HydrophobicContact CD1-CD2 3.77Å; L4-L99 HydrophobicContact CD1-CG 4.46Å; L4-L99 HydrophobicContact CD2-CD2 4.22Å; L4-L99 HydrophobicContact CD2-CG 4.09Å
5H88.3Confident77.2Confident67 Ų6794 Ų9431%0.3150%0.499SS..SBendtrans-66.5-38.4178.4-5888.7000110.7K85 L87 Q91 E94 D95H5-K85 WeakPolarHBondContact O-CD 3.29Å; H5-K85 WeakPolarHBondContact O-CE 3.42Å; H5-K85 PolarHBondContact O-NZ 3.25Å; H5-L87 HydrophobicContact CB-CD1 3.73Å; H5-L87 HydrophobicContact CB-CD2 3.83Å; H5-L87 HydrophobicContact CB-CG 4.45Å; H5-Q91 HydrophobicContact CB-CB 4.44Å; H5-E94 IonicContact CE1-OE2 2.64Å; H5-E94 PolarHBondContact CE1-OE2 3.15Å; H5-E94 IonicContact NE2-OE2 3.42Å; H5-D95 WeakPolarHBondContact CA-OD2 3.35Å; H5-D95 VanDerWaalsContact CB-OD2 3.3Å; H5-D95 WeakPolarHBondContact CB-OD2 3.32Å; H5-D95 IonicContact CE1-OD1 3.48Å; H5-D95 IonicContact CG-OD1 3.54Å; H5-D95 VanDerWaalsContact N-CG 3.29Å; H5-D95 PolarHBondContact N-OD1 3.37Å; H5-D95 PolarHBondContact N-OD2 2.98Å; H5-D95 IonicContact ND1-OD1 3.39Å; H5-D95 PolarHBondContact ND1-OD1 3.2Å
6F85.7Confident77.9Confident11 Ų1189.8 Ų89.85%0.04849%0.485CS..SBendtrans-74.6-26.4-176.683.7-90.5000113.9L4 L11 L77 V78 K85 L87 D95 L99L4-F6 VanDerWaalsContact C-N 3.33Å; L4-F6 HydrophobicContact CB-CD1 4.08Å; L4-F6 HydrophobicContact CB-CE1 4.08Å; L4-F6 HydrophobicContact CD1-CE1 3.82Å; L4-F6 HydrophobicContact CD1-CZ 4.25Å; L4-F6 HydrophobicContact CD2-CE1 4.19Å; L4-F6 HydrophobicContact CG-CE1 4.26Å; L4-F6 PolarHBondContact O-N 2.82Å; F6-L11 HydrophobicContact CE1-CD1 4.33Å; F6-L11 HydrophobicContact CE2-CD1 4.4Å; F6-L11 HydrophobicContact CE2-CD2 4.01Å; F6-L11 HydrophobicContact CZ-CD1 3.64Å; F6-L11 HydrophobicContact CZ-CD2 4.07Å; F6-L11 HydrophobicContact CZ-CG 4.47Å; F6-L77 WeakPolarHBondContact CD2-O 3.36Å; F6-L77 HydrophobicContact CE2-CB 4.03Å; F6-V78 HydrophobicContact CD1-CG2 4.33Å; F6-V78 HydrophobicContact CE1-CG2 3.88Å; F6-V78 HydrophobicContact CE2-CG2 4.33Å; F6-V78 HydrophobicContact CZ-CG2 3.86Å; F6-K85 VanDerWaalsContact O-CE 3.23Å; F6-K85 WeakPolarHBondContact O-CE 3.45Å; F6-K85 PolarHBondContact O-NZ 3.17Å; F6-K85 VanDerWaalsContact O-NZ 3.12Å; F6-L87 HydrophobicContact CB-CD1 3.74Å; F6-D95 HydrophobicContact CD1-CB 3.97Å; F6-D95 VanDerWaalsContact CD1-OD2 3.3Å; F6-D95 WeakPolarHBondContact CD1-OD2 3.46Å; F6-D95 HydrophobicContact CE1-CB 4.43Å; F6-D95 PolarHBondContact N-OD2 3.49Å; F6-L99 HydrophobicContact CE1-CD1 3.83Å; F6-L99 HydrophobicContact CZ-CD1 4.19Å
7A82.3Confident78.8Confident17 Ų1788.9 Ų88.914%0.1448%0.483CS..  trans-121.9128.8-176.100000112.3L4 L11L4-A7 HydrophobicContact CB-CB 4.47Å; A7-L11 HydrophobicContact CB-CD2 3.9Å; A7-L11 HydrophobicContact CB-CG 4.19Å
8K65.9Low79.7Confident173 Ų17385.4 Ų85.475%0.75246%0.464SS*.SBendtrans-92.5-25.9168.6-76.5-173.7179.1-1780112
9D69.8Low80.5Confident143 Ų14381 Ų8177%0.76544%0.44SS*.SBendtrans-90.2161.2-178.9-55.3-48.1000111.3L11D9-L11 PolarHBondContact O-N 2.95Å
10V73.4Confident81.2Confident140 Ų14082.7 Ų82.785%0.84845%0.445SS*.PPolyproline II helixtrans-64.8121.6174.8-176.30000108.6
11L81.8Confident81.8Confident38 Ų3880.9 Ų80.920%0.19944%0.435CS..PPolyproline II helixtrans-70.3152.7173.4-68.3175.9000110.4L4 F6 A7 D9 D13 V15 L77 L99L4-L11 HydrophobicContact CD1-CD1 3.23Å; L4-L11 HydrophobicContact CD1-CG 4.24Å; F6-L11 HydrophobicContact CE1-CD1 4.33Å; F6-L11 HydrophobicContact CE2-CD1 4.4Å; F6-L11 HydrophobicContact CE2-CD2 4.01Å; F6-L11 HydrophobicContact CZ-CD1 3.64Å; F6-L11 HydrophobicContact CZ-CD2 4.07Å; F6-L11 HydrophobicContact CZ-CG 4.47Å; A7-L11 HydrophobicContact CB-CD2 3.9Å; A7-L11 HydrophobicContact CB-CG 4.19Å; D9-L11 PolarHBondContact O-N 2.95Å; L11-D13 PolarHBondContact O-N 3.3Å; L11-V15 HydrophobicContact CB-CB 4.41Å; L11-V15 HydrophobicContact CB-CG2 4.37Å; L11-V15 HydrophobicContact CD1-CG1 4.14Å; L11-L77 HydrophobicContact CD2-CD1 4.38Å; L11-L99 HydrophobicContact CD1-CD2 3.93Å
12P85Confident84.3Confident79 Ų7970.6 Ų70.651%0.51338%0.38SS..PPolyproline II helixtrans-54.4139.2168.5-21.230.4000111.1S14 V15P12-S14 PolarHBondContact O-N 2.92Å; P12-V15 HydrophobicContact CB-CG2 4.12Å; P12-V15 HydrophobicContact CG-CG2 4.17Å; P12-V15 WeakPolarHBondContact O-CB 3.27Å; P12-V15 WeakPolarHBondContact O-CG2 3.49Å; P12-V15 PolarHBondContact O-N 3.07Å
13D81.1Confident86.2Confident151 Ų15166.5 Ų66.581%0.80736%0.361SS*.THydrogen-bonded Turntrans-57.3-25.8-177.9-62.1-31.6000113.1L11 V15L11-D13 PolarHBondContact O-N 3.3Å; D13-V15 VanDerWaalsContact C-N 3.27Å; D13-V15 PolarHBondContact O-N 3.5Å
14S86.7Confident87Confident60 Ų6067.2 Ų67.242%0.4236%0.362SS..Hα-helixtrans-65.9-27.2177.162.20000113.2P12 G16 T17 D18P12-S14 PolarHBondContact O-N 2.92Å; S14-G16 PolarHBondContact O-N 2.88Å; S14-T17 PolarHBondContact O-N 3.14Å; S14-T17 VanDerWaalsContact O-N 3.16Å; S14-D18 PolarHBondContact O-N 3.41Å
15V89.9Confident87.3Confident2 Ų266.7 Ų66.71%0.01236%0.359CS..Hα-helixtrans-62-48.7-171.3178.20000111.1L11 P12 D13 T17 D18 F19 L77 L99L11-V15 HydrophobicContact CB-CB 4.41Å; L11-V15 HydrophobicContact CB-CG2 4.37Å; L11-V15 HydrophobicContact CD1-CG1 4.14Å; P12-V15 HydrophobicContact CB-CG2 4.12Å; P12-V15 HydrophobicContact CG-CG2 4.17Å; P12-V15 WeakPolarHBondContact O-CB 3.27Å; P12-V15 WeakPolarHBondContact O-CG2 3.49Å; P12-V15 PolarHBondContact O-N 3.07Å; D13-V15 VanDerWaalsContact C-N 3.27Å; D13-V15 PolarHBondContact O-N 3.5Å; V15-T17 VanDerWaalsContact C-N 3.28Å; V15-T17 PolarHBondContact O-N 3.3Å; V15-D18 WeakPolarHBondContact O-CB 3.3Å; V15-D18 PolarHBondContact O-N 3.21Å; V15-D18 VanDerWaalsContact O-N 3.15Å; V15-F19 HydrophobicContact CG1-CD2 3.75Å; V15-F19 HydrophobicContact CG1-CE2 3.74Å; V15-F19 VanDerWaalsContact O-CD2 3.31Å; V15-F19 WeakPolarHBondContact O-CD2 3.41Å; V15-F19 PolarHBondContact O-N 3.49Å; V15-L77 HydrophobicContact CG2-CD1 3.83Å; V15-L99 HydrophobicContact CG1-CD2 4.18Å
16G89.3Confident87.6Confident26 Ų2667.4 Ų67.427%0.26837%0.365SS..Hα-helixtrans-60.3-39.617800000112.5S14 D18 F19 Q20S14-G16 PolarHBondContact O-N 2.88Å; G16-D18 PolarHBondContact O-N 3.32Å; G16-F19 PolarHBondContact O-N 2.95Å; G16-Q20 WeakPolarHBondContact O-CG 3.5Å; G16-Q20 PolarHBondContact O-N 2.8Å
17T92.9Very high88.1Confident76 Ų7671.5 Ų71.547%0.46639%0.387SS..Hα-helixtrans-65.8-39.1176.7-56.40000111.6S14 V15 Q20 N21S14-T17 PolarHBondContact O-N 3.14Å; S14-T17 VanDerWaalsContact O-N 3.16Å; V15-T17 VanDerWaalsContact C-N 3.28Å; V15-T17 PolarHBondContact O-N 3.3Å; T17-Q20 PolarHBondContact O-N 3.32Å; T17-N21 VanDerWaalsContact O-CG 3.3Å; T17-N21 PolarHBondContact O-N 2.69Å; T17-N21 PolarHBondContact O-ND2 3.14Å
18D94.6Very high88.7Confident26 Ų2678.5 Ų78.514%0.13942%0.417CS..Hα-helixtrans-64.9-40.8177.3-68.5-27.5000111.8S14 V15 G16 N21 L22 L71 S74S14-D18 PolarHBondContact O-N 3.41Å; V15-D18 WeakPolarHBondContact O-CB 3.3Å; V15-D18 PolarHBondContact O-N 3.21Å; V15-D18 VanDerWaalsContact O-N 3.15Å; G16-D18 PolarHBondContact O-N 3.32Å; D18-N21 WeakPolarHBondContact O-CB 3.4Å; D18-N21 PolarHBondContact O-N 2.9Å; D18-N21 VanDerWaalsContact O-N 3.17Å; D18-L22 PolarHBondContact O-N 3.34Å; D18-L22 VanDerWaalsContact O-N 3.08Å; D18-L71 HydrophobicContact CB-CG 4.28Å; D18-S74 WeakPolarHBondContact OD2-CB 3.42Å; D18-S74 PolarHBondContact OD2-OG 3.08Å
19F95.2Very high90.1Very high1 Ų171.9 Ų71.90%0.00439%0.389CS..Hα-helixtrans-67.3-35.9174.9-86.4-85.4000112.7V15 G16 N21 L22 V75 V78 L96 L99 L101V15-F19 HydrophobicContact CG1-CD2 3.75Å; V15-F19 HydrophobicContact CG1-CE2 3.74Å; V15-F19 VanDerWaalsContact O-CD2 3.31Å; V15-F19 WeakPolarHBondContact O-CD2 3.41Å; V15-F19 PolarHBondContact O-N 3.49Å; G16-F19 PolarHBondContact O-N 2.95Å; F19-N21 VanDerWaalsContact C-N 3.32Å; F19-L22 HydrophobicContact CD1-CD1 3.81Å; F19-L22 HydrophobicContact CE1-CD1 4.1Å; F19-L22 HydrophobicContact CG-CD1 4.38Å; F19-L22 WeakPolarHBondContact O-CB 3.36Å; F19-L22 PolarHBondContact O-N 2.99Å; F19-V75 HydrophobicContact CZ-CG2 4.37Å; F19-V78 HydrophobicContact CE1-CG2 4.28Å; F19-V78 HydrophobicContact CE2-CG2 4.16Å; F19-V78 HydrophobicContact CZ-CG2 3.49Å; F19-V78 VanDerWaalsContact CZ-CG2 3.49Å; F19-L96 HydrophobicContact CD1-CD2 4.21Å; F19-L96 HydrophobicContact CE1-CD2 3.47Å; F19-L96 VanDerWaalsContact CE1-CD2 3.47Å; F19-L96 HydrophobicContact CZ-CD2 4.24Å; F19-L99 HydrophobicContact CB-CB 3.86Å; F19-L99 VanDerWaalsContact CB-O 3.26Å; F19-L99 WeakPolarHBondContact CB-O 3.42Å; F19-L99 HydrophobicContact CD1-CB 4.05Å; F19-L99 HydrophobicContact CD1-CD1 4.18Å; F19-L99 HydrophobicContact CD2-CB 3.93Å; F19-L99 HydrophobicContact CD2-CD1 3.76Å; F19-L99 HydrophobicContact CD2-CD2 4.42Å; F19-L99 HydrophobicContact CD2-CG 4.24Å; F19-L99 HydrophobicContact CE1-CD1 3.98Å; F19-L99 HydrophobicContact CE2-CD1 3.53Å; F19-L99 HydrophobicContact CE2-CG 4.48Å; F19-L99 HydrophobicContact CG-CB 3.66Å; F19-L99 HydrophobicContact CG-CD1 4.1Å; F19-L99 HydrophobicContact CG-CG 4.42Å; F19-L99 HydrophobicContact CZ-CD1 3.66Å; F19-L101 HydrophobicContact CD1-CB 4.44Å
20Q94.3Very high91.4Very high114 Ų11465.2 Ų65.253%0.53335%0.353SS..Hα-helixtrans-66-36170.4-70.5178.11.100112G16 T17 L22 N23G16-Q20 WeakPolarHBondContact O-CG 3.5Å; G16-Q20 PolarHBondContact O-N 2.8Å; T17-Q20 PolarHBondContact O-N 3.32Å; Q20-L22 VanDerWaalsContact C-N 3.28Å; Q20-L22 PolarHBondContact O-N 3.29Å; Q20-N23 VanDerWaalsContact O-CB 3.32Å; Q20-N23 WeakPolarHBondContact O-CB 3.15Å; Q20-N23 PolarHBondContact O-N 2.9Å; Q20-N23 VanDerWaalsContact O-N 3.11Å
21N94.8Very high92.6Very high45 Ų4560.6 Ų60.624%0.24133%0.327CS..Hα-helixtrans-65.6-28.9175.8-75.2-36.7000112.8T17 D18 F19 N23 K24 L71T17-N21 VanDerWaalsContact O-CG 3.3Å; T17-N21 PolarHBondContact O-N 2.69Å; T17-N21 PolarHBondContact O-ND2 3.14Å; D18-N21 WeakPolarHBondContact O-CB 3.4Å; D18-N21 PolarHBondContact O-N 2.9Å; D18-N21 VanDerWaalsContact O-N 3.17Å; F19-N21 VanDerWaalsContact C-N 3.32Å; N21-N23 PolarHBondContact O-N 3.04Å; N21-K24 WeakPolarHBondContact O-CB 3.43Å; N21-K24 PolarHBondContact O-N 2.75Å; N21-K24 WeakPolarHBondContact OD1-CE 3.38Å; N21-K24 PolarHBondContact OD1-NZ 2.86Å; N21-L71 HydrophobicContact CB-CD1 3.86Å
22L95.6Very high93.3Very high2 Ų263.7 Ų63.71%0.0134%0.336CS..Hα-helixtrans-59.3-26.2172-75.3167.1000113D18 F19 Q20 K24 F25 F30 L71 V75 L101 K105D18-L22 PolarHBondContact O-N 3.34Å; D18-L22 VanDerWaalsContact O-N 3.08Å; F19-L22 HydrophobicContact CD1-CD1 3.81Å; F19-L22 HydrophobicContact CE1-CD1 4.1Å; F19-L22 HydrophobicContact CG-CD1 4.38Å; F19-L22 WeakPolarHBondContact O-CB 3.36Å; F19-L22 PolarHBondContact O-N 2.99Å; Q20-L22 VanDerWaalsContact C-N 3.28Å; Q20-L22 PolarHBondContact O-N 3.29Å; L22-K24 PolarHBondContact O-N 3.4Å; L22-F25 HydrophobicContact CD2-CD2 4.32Å; L22-F25 HydrophobicContact CD2-CE2 4.24Å; L22-F25 WeakPolarHBondContact O-CD2 3.45Å; L22-F25 PolarHBondContact O-N 2.96Å; L22-F30 HydrophobicContact CB-CE2 4.36Å; L22-F30 HydrophobicContact CD1-CE2 4.42Å; L22-F30 HydrophobicContact CD2-CD2 4.25Å; L22-F30 HydrophobicContact CD2-CE2 4.2Å; L22-L71 HydrophobicContact CD2-CD1 4.48Å; L22-L71 HydrophobicContact CD2-CD2 3.45Å; L22-L71 VanDerWaalsContact CD2-CD2 3.45Å; L22-L71 HydrophobicContact CD2-CG 4.49Å; L22-L71 HydrophobicContact CG-CD1 4.43Å; L22-L71 HydrophobicContact CG-CD2 3.89Å; L22-V75 HydrophobicContact CD1-CG2 3.61Å; L22-V75 HydrophobicContact CD2-CG2 4.43Å; L22-V75 HydrophobicContact CG-CG2 4.43Å; L22-L101 HydrophobicContact CB-CD1 3.64Å; L22-L101 HydrophobicContact CD1-CD1 4.15Å; L22-K105 PolarHBondContact O-NZ 3.33Å
23N96.4Very high93.9Very high55 Ų5560 Ų6029%0.29431%0.311SS..THydrogen-bonded Turntrans-66.7-19.5177-64.7-39.7000112.7Q20 N21 G100 N102 K105Q20-N23 VanDerWaalsContact O-CB 3.32Å; Q20-N23 WeakPolarHBondContact O-CB 3.15Å; Q20-N23 PolarHBondContact O-N 2.9Å; Q20-N23 VanDerWaalsContact O-N 3.11Å; N21-N23 PolarHBondContact O-N 3.04Å; N23-G100 PolarHBondContact ND2-O 3.02Å; N23-N102 PolarHBondContact OD1-N 3.44Å; N23-K105 VanDerWaalsContact C-NZ 3.3Å; N23-K105 VanDerWaalsContact CA-NZ 3.32Å; N23-K105 PolarHBondContact O-NZ 3.47Å
24K94.8Very high94.7Very high160 Ų16052.8 Ų52.870%0.69627%0.273SS*.THydrogen-bonded Turntrans-75.6-22179.8-62.1173.3176.9166.70114N21 L22N21-K24 WeakPolarHBondContact O-CB 3.43Å; N21-K24 PolarHBondContact O-N 2.75Å; N21-K24 WeakPolarHBondContact OD1-CE 3.38Å; N21-K24 PolarHBondContact OD1-NZ 2.86Å; L22-K24 PolarHBondContact O-N 3.4Å
25F95.4Very high95.2Very high15 Ų1553.8 Ų53.87%0.06627%0.271CS..SBendtrans-71.8145175.6-64.2-93.8000109.7L22 Q29 F30 L33 F57 M63 L68 L71 K105L22-F25 HydrophobicContact CD2-CD2 4.32Å; L22-F25 HydrophobicContact CD2-CE2 4.24Å; L22-F25 WeakPolarHBondContact O-CD2 3.45Å; L22-F25 PolarHBondContact O-N 2.96Å; F25-Q29 HydrophobicContact CB-CB 3.95Å; F25-Q29 HydrophobicContact CD1-CB 4.02Å; F25-Q29 HydrophobicContact CG-CB 4.48Å; F25-F30 HydrophobicContact CB-CB 4.43Å; F25-L33 HydrophobicContact CD1-CD1 3.86Å; F25-L33 HydrophobicContact CE1-CD1 3.66Å; F25-L33 HydrophobicContact CE2-CD1 4.43Å; F25-L33 HydrophobicContact CG-CD1 4.3Å; F25-L33 HydrophobicContact CZ-CD1 3.95Å; F25-F57 HydrophobicContact CD1-CE1 4.38Å; F25-F57 HydrophobicContact CD1-CZ 4.28Å; F25-F57 AromaticContact CE1-CE1 3.95Å; F25-F57 HydrophobicContact CE1-CE1 3.95Å; F25-F57 HydrophobicContact CE1-CZ 4.29Å; F25-M63 HydrophobicContact CE1-CE 3.38Å; F25-M63 HydrophobicContact CE1-SD 3.61Å; F25-M63 HydrophobicContact CZ-CE 3.42Å; F25-M63 VanDerWaalsContact CZ-CE 3.42Å; F25-M63 HydrophobicContact CZ-SD 4.27Å; F25-L68 HydrophobicContact CE1-CD1 4.38Å; F25-L68 HydrophobicContact CZ-CD1 4.03Å; F25-L71 HydrophobicContact CE2-CD1 4.15Å; F25-K105 PolarHBondContact O-NZ 2.98Å
26N95.6Very high95.5Very high81 Ų8153.9 Ų53.943%0.43327%0.271SS..  trans-72.3172.2167.968.147.2000110.9Q28 Q29 F30N26-Q28 VanDerWaalsContact C-N 3.32Å; N26-Q28 PolarHBondContact O-N 3.14Å; N26-Q28 PolarHBondContact OD1-N 3.36Å; N26-Q28 VanDerWaalsContact OD1-N 3.14Å; N26-Q29 PolarHBondContact ND2-OE1 3.29Å; N26-Q29 PolarHBondContact O-N 2.71Å; N26-Q29 WeakPolarHBondContact OD1-CB 3.29Å; N26-Q29 WeakPolarHBondContact OD1-CG 3.45Å; N26-Q29 PolarHBondContact OD1-N 3.05Å; N26-F30 WeakPolarHBondContact O-CB 3.43Å; N26-F30 PolarHBondContact O-N 3.25Å
27D94.6Very high95.8Very high97 Ų9752.6 Ų52.652%0.51926%0.259SS..Hα-helixtrans-64.5-35.5-173.8-58.3-29.4000113.2S31D27-S31 VanDerWaalsContact O-CB 3.27Å; D27-S31 WeakPolarHBondContact O-CB 3.37Å; D27-S31 PolarHBondContact O-N 3.43Å; D27-S31 PolarHBondContact O-OG 2.88Å
28Q95.4Very high96Very high164 Ų16449.1 Ų49.177%0.76624%0.237SC*.Hα-helixtrans-67.2-45.8177.1-68.7-178.2-14.200111.1N26 S31 R32N26-Q28 VanDerWaalsContact C-N 3.32Å; N26-Q28 PolarHBondContact O-N 3.14Å; N26-Q28 PolarHBondContact OD1-N 3.36Å; N26-Q28 VanDerWaalsContact OD1-N 3.14Å; Q28-S31 PolarHBondContact O-N 2.73Å; Q28-R32 WeakPolarHBondContact O-CB 3.35Å; Q28-R32 PolarHBondContact O-N 3.3Å
29Q95.9Very high96Very high35 Ų3551.1 Ų51.116%0.16425%0.245CC..Hα-helixtrans-61.2-46.5176.4-76.8174.8-27.300111.5F25 N26 R32 L33 F57 H61F25-Q29 HydrophobicContact CB-CB 3.95Å; F25-Q29 HydrophobicContact CD1-CB 4.02Å; F25-Q29 HydrophobicContact CG-CB 4.48Å; N26-Q29 PolarHBondContact ND2-OE1 3.29Å; N26-Q29 PolarHBondContact O-N 2.71Å; N26-Q29 WeakPolarHBondContact OD1-CB 3.29Å; N26-Q29 WeakPolarHBondContact OD1-CG 3.45Å; N26-Q29 PolarHBondContact OD1-N 3.05Å; Q29-R32 PolarHBondContact O-N 3.07Å; Q29-L33 WeakPolarHBondContact O-CG 3.32Å; Q29-L33 PolarHBondContact O-N 3.44Å; Q29-F57 HydrophobicContact CB-CE2 4.44Å; Q29-F57 HydrophobicContact CB-CZ 3.97Å; Q29-F57 HydrophobicContact CG-CZ 4.18Å; Q29-H61 PolarHBondContact NE2-ND1 3.48Å
30F97.5Very high95.9Very high2 Ų252.5 Ų52.51%0.00925%0.251CS..Hα-helixtrans-61.6-50.2177.6-179-96.4000110.9L22 F25 N26 R32 L33 I34 L101 K105 H108 F109L22-F30 HydrophobicContact CB-CE2 4.36Å; L22-F30 HydrophobicContact CD1-CE2 4.42Å; L22-F30 HydrophobicContact CD2-CD2 4.25Å; L22-F30 HydrophobicContact CD2-CE2 4.2Å; F25-F30 HydrophobicContact CB-CB 4.43Å; N26-F30 WeakPolarHBondContact O-CB 3.43Å; N26-F30 PolarHBondContact O-N 3.25Å; F30-R32 VanDerWaalsContact C-N 3.26Å; F30-R32 PolarHBondContact O-N 3.38Å; F30-L33 PolarHBondContact O-N 3.34Å; F30-L33 VanDerWaalsContact O-N 3.11Å; F30-I34 HydrophobicContact CD1-CG1 3.97Å; F30-I34 HydrophobicContact CD2-CG1 4.49Å; F30-I34 HydrophobicContact CE1-CD1 4.26Å; F30-I34 HydrophobicContact CE1-CG1 3.52Å; F30-I34 HydrophobicContact CE2-CD1 4Å; F30-I34 HydrophobicContact CE2-CG1 4.09Å; F30-I34 HydrophobicContact CG-CG1 4.44Å; F30-I34 HydrophobicContact CZ-CD1 3.78Å; F30-I34 HydrophobicContact CZ-CG1 3.57Å; F30-I34 WeakPolarHBondContact O-CG1 3.35Å; F30-I34 PolarHBondContact O-N 3.32Å; F30-L101 HydrophobicContact CE2-CD1 4.11Å; F30-L101 HydrophobicContact CE2-CD2 4.36Å; F30-L101 HydrophobicContact CZ-CD2 4.03Å; F30-K105 HydrophobicContact CB-CD 4.38Å; F30-K105 HydrophobicContact CD1-CB 4.01Å; F30-K105 HydrophobicContact CD1-CD 4.27Å; F30-K105 HydrophobicContact CD1-CG 3.72Å; F30-K105 HydrophobicContact CD2-CB 4.4Å; F30-K105 HydrophobicContact CD2-CD 3.8Å; F30-K105 HydrophobicContact CD2-CG 4.13Å; F30-K105 HydrophobicContact CE1-CB 3.6Å; F30-K105 HydrophobicContact CE1-CG 3.88Å; F30-K105 WeakPolarHBondContact CE1-O 3.33Å; F30-K105 HydrophobicContact CE2-CB 4.04Å; F30-K105 HydrophobicContact CE2-CD 4.13Å; F30-K105 HydrophobicContact CE2-CG 4.28Å; F30-K105 HydrophobicContact CG-CB 4.39Å; F30-K105 HydrophobicContact CG-CD 3.88Å; F30-K105 HydrophobicContact CG-CG 3.85Å; F30-K105 HydrophobicContact CZ-CB 3.63Å; F30-K105 HydrophobicContact CZ-CG 4.16Å; F30-H108 HydrophobicContact CE1-CB 4.29Å; F30-H108 AromaticContact CE1-CD2 3.85Å; F30-F109 HydrophobicContact CZ-CB 4.48Å
31S97.1Very high95.8Very high43 Ų4348.4 Ų48.430%0.30123%0.233SC..Hα-helixtrans-56.4-42.8179-58.10000111.4D27 Q28 I34 E35D27-S31 VanDerWaalsContact O-CB 3.27Å; D27-S31 WeakPolarHBondContact O-CB 3.37Å; D27-S31 PolarHBondContact O-N 3.43Å; D27-S31 PolarHBondContact O-OG 2.88Å; Q28-S31 PolarHBondContact O-N 2.73Å; S31-I34 PolarHBondContact O-N 2.88Å; S31-E35 WeakPolarHBondContact O-CB 3.38Å; S31-E35 PolarHBondContact O-N 2.74Å
32R97.3Very high95.7Very high104 Ų10449.3 Ų49.339%0.39224%0.238SC..Hα-helixtrans-65.1-40.9177.5-176.457177.1167.62.4112.8Q28 Q29 F30 I34 E35 I36 F57Q28-R32 WeakPolarHBondContact O-CB 3.35Å; Q28-R32 PolarHBondContact O-N 3.3Å; Q29-R32 PolarHBondContact O-N 3.07Å; F30-R32 VanDerWaalsContact C-N 3.26Å; F30-R32 PolarHBondContact O-N 3.38Å; R32-I34 VanDerWaalsContact C-N 3.33Å; R32-E35 WeakPolarHBondContact CD-OE2 3.48Å; R32-E35 IonicContact CZ-OE2 2.72Å; R32-E35 IonicContact NH1-OE1 3.56Å; R32-E35 PolarHBondContact NH1-OE1 3.43Å; R32-E35 VanDerWaalsContact NH1-OE1 3.14Å; R32-E35 IonicContact NH1-OE2 2.65Å; R32-E35 PolarHBondContact NH1-OE2 2.91Å; R32-E35 WeakPolarHBondContact O-CB 3.41Å; R32-E35 PolarHBondContact O-N 2.95Å; R32-I36 HydrophobicContact CG-CD1 4.17Å; R32-I36 VanDerWaalsContact O-CG1 3.3Å; R32-I36 WeakPolarHBondContact O-CG1 3.21Å; R32-I36 PolarHBondContact O-N 3.01Å; R32-F57 HydrophobicContact CB-CE2 4.2Å; R32-F57 HydrophobicContact CG-CD2 4.07Å; R32-F57 HydrophobicContact CG-CE2 4.16Å
33L97.2Very high95.4Very high0 Ų051.9 Ų51.90%025%0.251CS..Hα-helixtrans-63.9-39.7175.2-73.2173.3000112.1F25 Q29 F30 I36 L37 L54 F57 L68 M72F25-L33 HydrophobicContact CD1-CD1 3.86Å; F25-L33 HydrophobicContact CE1-CD1 3.66Å; F25-L33 HydrophobicContact CE2-CD1 4.43Å; F25-L33 HydrophobicContact CG-CD1 4.3Å; F25-L33 HydrophobicContact CZ-CD1 3.95Å; Q29-L33 WeakPolarHBondContact O-CG 3.32Å; Q29-L33 PolarHBondContact O-N 3.44Å; F30-L33 PolarHBondContact O-N 3.34Å; F30-L33 VanDerWaalsContact O-N 3.11Å; L33-I36 PolarHBondContact O-N 3.47Å; L33-L37 WeakPolarHBondContact O-CB 3.32Å; L33-L37 PolarHBondContact O-N 3.25Å; L33-L54 HydrophobicContact CD2-CD2 4.14Å; L33-F57 HydrophobicContact CD1-CE1 3.94Å; L33-F57 HydrophobicContact CD1-CZ 3.82Å; L33-F57 HydrophobicContact CD2-CD1 3.75Å; L33-F57 HydrophobicContact CD2-CD2 4.12Å; L33-F57 HydrophobicContact CD2-CE1 3.67Å; L33-F57 HydrophobicContact CD2-CE2 4.03Å; L33-F57 HydrophobicContact CD2-CG 3.98Å; L33-F57 HydrophobicContact CD2-CZ 3.8Å; L33-F57 HydrophobicContact CG-CD1 4.43Å; L33-F57 HydrophobicContact CG-CD2 4.44Å; L33-F57 HydrophobicContact CG-CE1 3.88Å; L33-F57 HydrophobicContact CG-CE2 3.87Å; L33-F57 HydrophobicContact CG-CZ 3.55Å; L33-L68 HydrophobicContact CD1-CD1 4.23Å; L33-L68 HydrophobicContact CD2-CD1 4.08Å; L33-L68 HydrophobicContact CD2-CD2 4.45Å; L33-M72 HydrophobicContact CB-SD 4.4Å; L33-M72 HydrophobicContact CD2-SD 4.25Å
34I97.6Very high94.7Very high1 Ų151.3 Ų51.31%0.00525%0.251CS..Hα-helixtrans-67.7-39.3176.4-61.8-40.2000110.7F30 S31 R32 L37 F38 F109 Q112F30-I34 HydrophobicContact CD1-CG1 3.97Å; F30-I34 HydrophobicContact CD2-CG1 4.49Å; F30-I34 HydrophobicContact CE1-CD1 4.26Å; F30-I34 HydrophobicContact CE1-CG1 3.52Å; F30-I34 HydrophobicContact CE2-CD1 4Å; F30-I34 HydrophobicContact CE2-CG1 4.09Å; F30-I34 HydrophobicContact CG-CG1 4.44Å; F30-I34 HydrophobicContact CZ-CD1 3.78Å; F30-I34 HydrophobicContact CZ-CG1 3.57Å; F30-I34 WeakPolarHBondContact O-CG1 3.35Å; F30-I34 PolarHBondContact O-N 3.32Å; S31-I34 PolarHBondContact O-N 2.88Å; R32-I34 VanDerWaalsContact C-N 3.33Å; I34-L37 HydrophobicContact CD1-CD2 4.41Å; I34-L37 WeakPolarHBondContact O-CB 3.44Å; I34-L37 PolarHBondContact O-N 3.26Å; I34-F38 HydrophobicContact CG2-CD2 3.6Å; I34-F38 HydrophobicContact CG2-CE2 3.68Å; I34-F38 WeakPolarHBondContact O-CD2 3.48Å; I34-F38 PolarHBondContact O-N 3.19Å; I34-F109 HydrophobicContact CD1-CD2 3.53Å; I34-F109 HydrophobicContact CD1-CE2 3.88Å; I34-F109 HydrophobicContact CG1-CD2 4.15Å; I34-F109 HydrophobicContact CG2-CD2 4.35Å; I34-Q112 HydrophobicContact CG2-CB 4.08Å; I34-Q112 HydrophobicContact CG2-CG 3.86Å
35E96.9Very high94.2Very high81 Ų8152.6 Ų52.638%0.37926%0.256SS..Hα-helixtrans-59.9-49.3173.7-168.4-164.8163.600111.8S31 R32 L37 F38 Q39S31-E35 WeakPolarHBondContact O-CB 3.38Å; S31-E35 PolarHBondContact O-N 2.74Å; R32-E35 WeakPolarHBondContact CD-OE2 3.48Å; R32-E35 IonicContact CZ-OE2 2.72Å; R32-E35 IonicContact NH1-OE1 3.56Å; R32-E35 PolarHBondContact NH1-OE1 3.43Å; R32-E35 VanDerWaalsContact NH1-OE1 3.14Å; R32-E35 IonicContact NH1-OE2 2.65Å; R32-E35 PolarHBondContact NH1-OE2 2.91Å; R32-E35 WeakPolarHBondContact O-CB 3.41Å; R32-E35 PolarHBondContact O-N 2.95Å; E35-L37 VanDerWaalsContact C-N 3.27Å; E35-L37 PolarHBondContact O-N 3.42Å; E35-F38 PolarHBondContact O-N 3.35Å; E35-Q39 WeakPolarHBondContact O-CB 3.37Å; E35-Q39 VanDerWaalsContact O-CG 3.32Å; E35-Q39 WeakPolarHBondContact O-CG 3.39Å; E35-Q39 PolarHBondContact O-N 3.27Å; E35-Q39 PolarHBondContact OE1-NE2 3.32Å
36I96.7Very high93.7Very high3 Ų355.3 Ų55.32%0.01527%0.269CS..Hα-helixtrans-57.4-42.7176.4-68.4164.6000110.5R32 L33 F40 F50 Q53 L54R32-I36 HydrophobicContact CG-CD1 4.17Å; R32-I36 VanDerWaalsContact O-CG1 3.3Å; R32-I36 WeakPolarHBondContact O-CG1 3.21Å; R32-I36 PolarHBondContact O-N 3.01Å; L33-I36 PolarHBondContact O-N 3.47Å; I36-F40 PolarHBondContact O-N 2.95Å; I36-F40 VanDerWaalsContact O-N 3.08Å; I36-F50 HydrophobicContact CG2-CD2 3.73Å; I36-F50 HydrophobicContact CG2-CE2 3.84Å; I36-Q53 HydrophobicContact CD1-CB 4.31Å; I36-Q53 HydrophobicContact CG1-CB 4.41Å; I36-Q53 HydrophobicContact CG2-CB 4.02Å; I36-L54 HydrophobicContact CG2-CD2 4.2Å
37L96.6Very high93.4Very high0 Ų054.7 Ų54.70%027%0.269CS..Hα-helixtrans-60.2-51.5176.9177.373.2000111.9L33 I34 E35 F40 L41 M72 V75 L76 F109L33-L37 WeakPolarHBondContact O-CB 3.32Å; L33-L37 PolarHBondContact O-N 3.25Å; I34-L37 HydrophobicContact CD1-CD2 4.41Å; I34-L37 WeakPolarHBondContact O-CB 3.44Å; I34-L37 PolarHBondContact O-N 3.26Å; E35-L37 VanDerWaalsContact C-N 3.27Å; E35-L37 PolarHBondContact O-N 3.42Å; L37-F40 PolarHBondContact O-N 3.11Å; L37-L41 HydrophobicContact CG-CD1 4.11Å; L37-L41 WeakPolarHBondContact O-CG 3.4Å; L37-L41 PolarHBondContact O-N 2.66Å; L37-M72 HydrophobicContact CB-CE 3.99Å; L37-M72 HydrophobicContact CD1-CE 4.08Å; L37-M72 HydrophobicContact CG-CE 4.45Å; L37-V75 HydrophobicContact CD2-CG1 3.6Å; L37-L76 HydrophobicContact CD1-CD2 3.36Å; L37-L76 HydrophobicContact CD1-CG 3.6Å; L37-F109 HydrophobicContact CD2-CE2 3.62Å; L37-F109 HydrophobicContact CD2-CZ 4Å
38F96Very high93.2Very high2 Ų256.8 Ų56.81%0.00928%0.28CS..Hα-helixtrans-69.8-33.9-177.4-85.5-84.5000112.6I34 E35 F40 L41 L42 F109 Q112 W113 H116 L120I34-F38 HydrophobicContact CG2-CD2 3.6Å; I34-F38 HydrophobicContact CG2-CE2 3.68Å; I34-F38 WeakPolarHBondContact O-CD2 3.48Å; I34-F38 PolarHBondContact O-N 3.19Å; E35-F38 PolarHBondContact O-N 3.35Å; F38-F40 VanDerWaalsContact C-N 3.32Å; F38-F40 PolarHBondContact O-N 3.35Å; F38-L41 HydrophobicContact CD1-CD1 4.16Å; F38-L41 HydrophobicContact CE1-CD1 4.32Å; F38-L41 HydrophobicContact CG-CD1 4.48Å; F38-L41 PolarHBondContact O-N 2.93Å; F38-L42 WeakPolarHBondContact O-CG 3.35Å; F38-L42 PolarHBondContact O-N 2.85Å; F38-F109 HydrophobicContact CE2-CE1 4.4Å; F38-F109 HydrophobicContact CE2-CE2 4.45Å; F38-F109 HydrophobicContact CE2-CZ 4.27Å; F38-F109 HydrophobicContact CZ-CE1 4.26Å; F38-F109 HydrophobicContact CZ-CZ 4.41Å; F38-Q112 HydrophobicContact CD2-CB 3.81Å; F38-Q112 HydrophobicContact CE2-CB 3.49Å; F38-Q112 VanDerWaalsContact CE2-CB 3.49Å; F38-Q112 HydrophobicContact CG-CB 4.47Å; F38-Q112 HydrophobicContact CZ-CB 3.9Å; F38-W113 HydrophobicContact CE1-CE3 4.29Å; F38-W113 HydrophobicContact CZ-CB 4.12Å; F38-W113 HydrophobicContact CZ-CE3 4.47Å; F38-H116 HydrophobicContact CD1-CB 3.7Å; F38-H116 AromaticContact CD1-CG 3.72Å; F38-H116 HydrophobicContact CE1-CB 3.95Å; F38-L120 HydrophobicContact CD1-CD1 4.19Å; F38-L120 HydrophobicContact CE1-CD1 4.02Å
39Q94.6Very high93.1Very high68 Ų6853.2 Ų53.232%0.31826%0.259SS..Hα-helixtrans-58.8-43.9170.1-75.5176.1-1.200111.5E35 L42 D43E35-Q39 WeakPolarHBondContact O-CB 3.37Å; E35-Q39 VanDerWaalsContact O-CG 3.32Å; E35-Q39 WeakPolarHBondContact O-CG 3.39Å; E35-Q39 PolarHBondContact O-N 3.27Å; E35-Q39 PolarHBondContact OE1-NE2 3.32Å; Q39-L42 PolarHBondContact O-N 3Å; Q39-D43 PolarHBondContact O-N 2.89Å
40F94.6Very high93Very high30 Ų3052.1 Ų52.113%0.13225%0.254CS..Hα-helixtrans-66.5-39.8174.7171.8-109.8000112.8I36 L37 F38 L42 D43 P44 F50 L76I36-F40 PolarHBondContact O-N 2.95Å; I36-F40 VanDerWaalsContact O-N 3.08Å; L37-F40 PolarHBondContact O-N 3.11Å; F38-F40 VanDerWaalsContact C-N 3.32Å; F38-F40 PolarHBondContact O-N 3.35Å; F40-L42 VanDerWaalsContact C-N 3.27Å; F40-L42 PolarHBondContact O-N 3.36Å; F40-D43 CarbonylContact O-C 3.58Å; F40-D43 PolarHBondContact O-N 3.24Å; F40-D43 VanDerWaalsContact O-N 3.15Å; F40-P44 WeakPolarHBondContact O-CA 3.32Å; F40-P44 VanDerWaalsContact O-N 3.1Å; F40-F50 HydrophobicContact CB-CB 4.1Å; F40-F50 HydrophobicContact CB-CD2 3.49Å; F40-F50 VanDerWaalsContact CB-CD2 3.49Å; F40-F50 HydrophobicContact CB-CE2 4.05Å; F40-F50 HydrophobicContact CB-CG 3.89Å; F40-F50 HydrophobicContact CD1-CD1 4.25Å; F40-F50 HydrophobicContact CD1-CD2 4.25Å; F40-F50 HydrophobicContact CD1-CE1 4.35Å; F40-F50 HydrophobicContact CD1-CE2 4.34Å; F40-F50 HydrophobicContact CD1-CG 4.2Å; F40-F50 HydrophobicContact CD1-CZ 4.39Å; F40-F50 HydrophobicContact CD2-CB 3.57Å; F40-F50 HydrophobicContact CD2-CD1 4.27Å; F40-F50 HydrophobicContact CD2-CD2 4.34Å; F40-F50 AromaticContact CD2-CG 3.83Å; F40-F50 HydrophobicContact CD2-CG 3.83Å; F40-F50 HydrophobicContact CE1-CD1 4.45Å; F40-F50 HydrophobicContact CE2-CB 4.22Å; F40-F50 HydrophobicContact CE2-CD1 4.47Å; F40-F50 HydrophobicContact CE2-CG 4.44Å; F40-F50 HydrophobicContact CG-CB 3.91Å; F40-F50 HydrophobicContact CG-CD1 4.15Å; F40-F50 AromaticContact CG-CD2 3.77Å; F40-F50 HydrophobicContact CG-CD2 3.77Å; F40-F50 HydrophobicContact CG-CE2 4.29Å; F40-F50 AromaticContact CG-CG 3.68Å; F40-F50 HydrophobicContact CG-CG 3.68Å; F40-L76 HydrophobicContact CD1-CD2 4.01Å; F40-L76 HydrophobicContact CE1-CD1 4.33Å; F40-L76 HydrophobicContact CE1-CD2 3.99Å
41L91.9Very high92.9Very high29 Ų2954.9 Ų54.915%0.15227%0.267CS..Hα-helixtrans-64.2-32.5177.5-70.2170.3000112.7L37 F38 L76 P79 L120L37-L41 HydrophobicContact CG-CD1 4.11Å; L37-L41 WeakPolarHBondContact O-CG 3.4Å; L37-L41 PolarHBondContact O-N 2.66Å; F38-L41 HydrophobicContact CD1-CD1 4.16Å; F38-L41 HydrophobicContact CE1-CD1 4.32Å; F38-L41 HydrophobicContact CG-CD1 4.48Å; F38-L41 PolarHBondContact O-N 2.93Å; L41-L76 HydrophobicContact CD2-CD2 3.94Å; L41-P79 HydrophobicContact CD1-CB 3.64Å; L41-P79 HydrophobicContact CD1-CG 3.69Å; L41-P79 HydrophobicContact CD2-CB 4.5Å; L41-P79 HydrophobicContact CD2-CG 4.33Å; L41-L120 HydrophobicContact CB-CD2 3.68Å; L41-L120 WeakPolarHBondContact O-CD2 3.23Å
42L91.4Very high92.8Very high63 Ų6358.2 Ų58.233%0.3328%0.278SS..Hα-helixtrans-74.3-27.3174.4-72.4176.4000113.1F38 Q39 F40 A119 L120 L123F38-L42 WeakPolarHBondContact O-CG 3.35Å; F38-L42 PolarHBondContact O-N 2.85Å; Q39-L42 PolarHBondContact O-N 3Å; F40-L42 VanDerWaalsContact C-N 3.27Å; F40-L42 PolarHBondContact O-N 3.36Å; L42-A119 HydrophobicContact CD2-CB 3.77Å; L42-L120 HydrophobicContact CD2-CD2 3.95Å; L42-L120 HydrophobicContact CD2-CG 4.36Å; L42-L120 HydrophobicContact CG-CD2 4.42Å; L42-L123 HydrophobicContact CD2-CD1 4.07Å; L42-L123 VanDerWaalsContact O-CD1 3.23Å; L42-L123 WeakPolarHBondContact O-CD1 3.41Å
43D88.9Confident92.7Very high56 Ų5654.7 Ų54.730%0.29927%0.266SS..  trans-13675.6177.3-166.6-3.4000112.3Q39 F40 K45 E46 R49Q39-D43 PolarHBondContact O-N 2.89Å; F40-D43 CarbonylContact O-C 3.58Å; F40-D43 PolarHBondContact O-N 3.24Å; F40-D43 VanDerWaalsContact O-N 3.15Å; D43-K45 PolarHBondContact O-N 3.48Å; D43-K45 VanDerWaalsContact O-N 3.08Å; D43-E46 PolarHBondContact O-N 3.39Å; D43-R49 IonicContact OD2-NH2 3.05Å
44P82.8Confident92.7Very high43 Ų4354.8 Ų54.828%0.27927%0.267SS..THydrogen-bonded Turntrans-70.6-7.9-171.726.2-34000113.9F40 E46F40-P44 WeakPolarHBondContact O-CA 3.32Å; F40-P44 VanDerWaalsContact O-N 3.1Å; P44-E46 VanDerWaalsContact C-N 3.27Å
45K83.2Confident92.6Very high188 Ų18857.3 Ų57.382%0.81728%0.283SS*.THydrogen-bonded Turntrans-74-23.6177-65.3178.8-176.7174.80111.7D43 T47D43-K45 PolarHBondContact O-N 3.48Å; D43-K45 VanDerWaalsContact O-N 3.08Å; K45-T47 PolarHBondContact O-N 3.08Å
46E86.2Confident92.6Very high71 Ų7157.9 Ų57.933%0.33229%0.285SS..  trans-88.753.6-176.8-67-151.2-139.900112.9D43 P44 D48 R49 F50D43-E46 PolarHBondContact O-N 3.39Å; P44-E46 VanDerWaalsContact C-N 3.27Å; E46-D48 VanDerWaalsContact C-N 3.3Å; E46-D48 PolarHBondContact O-N 3.24Å; E46-R49 HydrophobicContact CB-CB 4.01Å; E46-R49 VanDerWaalsContact CD-NH2 3.3Å; E46-R49 PolarHBondContact O-N 3.04Å; E46-R49 IonicContact OE1-CZ 2.71Å; E46-R49 VanDerWaalsContact OE1-CZ 3.25Å; E46-R49 IonicContact OE1-NH1 2.75Å; E46-R49 PolarHBondContact OE1-NH1 3.41Å; E46-R49 IonicContact OE1-NH2 3.25Å; E46-R49 PolarHBondContact OE1-NH2 2.89Å; E46-R49 WeakPolarHBondContact OE2-CD 3.42Å; E46-R49 IonicContact OE2-CZ 2.73Å; E46-R49 IonicContact OE2-NE 3.14Å; E46-R49 PolarHBondContact OE2-NE 3.07Å; E46-R49 IonicContact OE2-NH1 3.8Å; E46-R49 PolarHBondContact OE2-NH1 3.44Å; E46-R49 IonicContact OE2-NH2 2.83Å; E46-R49 PolarHBondContact OE2-NH2 3.26Å; E46-F50 PolarHBondContact O-N 3.4Å
47T88.9Confident92.6Very high69 Ų6958 Ų5842%0.42329%0.286SS..Hα-helixtrans-61.2-39.9178.6-56.70000111.5K45 F50 M51K45-T47 PolarHBondContact O-N 3.08Å; T47-F50 PolarHBondContact O-N 2.77Å; T47-M51 HydrophobicContact CG2-CG 4.32Å; T47-M51 VanDerWaalsContact O-CG 3.25Å; T47-M51 WeakPolarHBondContact O-CG 3.5Å; T47-M51 PolarHBondContact O-N 3.18Å
48D90.8Very high92.5Very high140 Ų14058.1 Ų58.175%0.74929%0.286SS*.Hα-helixtrans-64.2-42.3179.1-66.9-32.4000111.8E46 M51 Q52E46-D48 VanDerWaalsContact C-N 3.3Å; E46-D48 PolarHBondContact O-N 3.24Å; D48-M51 PolarHBondContact O-N 2.97Å; D48-Q52 WeakPolarHBondContact O-CB 3.45Å; D48-Q52 PolarHBondContact O-N 3.2Å
49R93.1Very high92.4Very high89 Ų8960.8 Ų60.834%0.33631%0.314SS..Hα-helixtrans-61.1-46.3174.7-175.7177.168.6-155.2-8111.1D43 E46 M51 Q52 Q53D43-R49 IonicContact OD2-NH2 3.05Å; E46-R49 HydrophobicContact CB-CB 4.01Å; E46-R49 VanDerWaalsContact CD-NH2 3.3Å; E46-R49 PolarHBondContact O-N 3.04Å; E46-R49 IonicContact OE1-CZ 2.71Å; E46-R49 VanDerWaalsContact OE1-CZ 3.25Å; E46-R49 IonicContact OE1-NH1 2.75Å; E46-R49 PolarHBondContact OE1-NH1 3.41Å; E46-R49 IonicContact OE1-NH2 3.25Å; E46-R49 PolarHBondContact OE1-NH2 2.89Å; E46-R49 WeakPolarHBondContact OE2-CD 3.42Å; E46-R49 IonicContact OE2-CZ 2.73Å; E46-R49 IonicContact OE2-NE 3.14Å; E46-R49 PolarHBondContact OE2-NE 3.07Å; E46-R49 IonicContact OE2-NH1 3.8Å; E46-R49 PolarHBondContact OE2-NH1 3.44Å; E46-R49 IonicContact OE2-NH2 2.83Å; E46-R49 PolarHBondContact OE2-NH2 3.26Å; R49-M51 VanDerWaalsContact C-N 3.34Å; R49-M51 PolarHBondContact O-N 3.05Å; R49-Q52 PolarHBondContact O-N 3.32Å; R49-Q53 HydrophobicContact CG-CG 4.44Å; R49-Q53 WeakPolarHBondContact O-CG 3.25Å; R49-Q53 PolarHBondContact O-N 3.32Å
50F93.8Very high92.4Very high12 Ų1264.6 Ų64.65%0.05333%0.332CS..Hα-helixtrans-58.7-46.2177.1175.6-114.9000111.6I36 F40 E46 T47 Q52 Q53 L54 M72 L76I36-F50 HydrophobicContact CG2-CD2 3.73Å; I36-F50 HydrophobicContact CG2-CE2 3.84Å; F40-F50 HydrophobicContact CB-CB 4.1Å; F40-F50 HydrophobicContact CB-CD2 3.49Å; F40-F50 VanDerWaalsContact CB-CD2 3.49Å; F40-F50 HydrophobicContact CB-CE2 4.05Å; F40-F50 HydrophobicContact CB-CG 3.89Å; F40-F50 HydrophobicContact CD1-CD1 4.25Å; F40-F50 HydrophobicContact CD1-CD2 4.25Å; F40-F50 HydrophobicContact CD1-CE1 4.35Å; F40-F50 HydrophobicContact CD1-CE2 4.34Å; F40-F50 HydrophobicContact CD1-CG 4.2Å; F40-F50 HydrophobicContact CD1-CZ 4.39Å; F40-F50 HydrophobicContact CD2-CB 3.57Å; F40-F50 HydrophobicContact CD2-CD1 4.27Å; F40-F50 HydrophobicContact CD2-CD2 4.34Å; F40-F50 AromaticContact CD2-CG 3.83Å; F40-F50 HydrophobicContact CD2-CG 3.83Å; F40-F50 HydrophobicContact CE1-CD1 4.45Å; F40-F50 HydrophobicContact CE2-CB 4.22Å; F40-F50 HydrophobicContact CE2-CD1 4.47Å; F40-F50 HydrophobicContact CE2-CG 4.44Å; F40-F50 HydrophobicContact CG-CB 3.91Å; F40-F50 HydrophobicContact CG-CD1 4.15Å; F40-F50 AromaticContact CG-CD2 3.77Å; F40-F50 HydrophobicContact CG-CD2 3.77Å; F40-F50 HydrophobicContact CG-CE2 4.29Å; F40-F50 AromaticContact CG-CG 3.68Å; F40-F50 HydrophobicContact CG-CG 3.68Å; E46-F50 PolarHBondContact O-N 3.4Å; T47-F50 PolarHBondContact O-N 2.77Å; F50-Q52 VanDerWaalsContact C-N 3.32Å; F50-Q52 PolarHBondContact O-N 2.95Å; F50-Q53 PolarHBondContact O-N 3.4Å; F50-L54 HydrophobicContact CD1-CD1 4.33Å; F50-L54 HydrophobicContact CE1-CD1 3.78Å; F50-L54 HydrophobicContact CE2-CD1 4.13Å; F50-L54 HydrophobicContact CE2-CD2 4.42Å; F50-L54 HydrophobicContact CE2-CG 4.26Å; F50-L54 HydrophobicContact CZ-CD1 3.68Å; F50-L54 HydrophobicContact CZ-CG 4.31Å; F50-L54 WeakPolarHBondContact O-CG 3.17Å; F50-L54 PolarHBondContact O-N 3.27Å; F50-L54 VanDerWaalsContact O-N 3.07Å; F50-M72 HydrophobicContact CZ-CB 4.4Å; F50-L76 HydrophobicContact CE1-CD1 4.17Å; F50-L76 HydrophobicContact CZ-CD1 4.23Å
51M94.3Very high92.2Very high60 Ų6066.8 Ų66.830%0.29634%0.343SS..Hα-helixtrans-66.7-34.4179.1-67-65.2-93.800112.6T47 D48 R49 T55 R69T47-M51 HydrophobicContact CG2-CG 4.32Å; T47-M51 VanDerWaalsContact O-CG 3.25Å; T47-M51 WeakPolarHBondContact O-CG 3.5Å; T47-M51 PolarHBondContact O-N 3.18Å; D48-M51 PolarHBondContact O-N 2.97Å; R49-M51 VanDerWaalsContact C-N 3.34Å; R49-M51 PolarHBondContact O-N 3.05Å; M51-T55 PolarHBondContact O-N 3.5Å; M51-T55 PolarHBondContact O-OG1 3.25Å; M51-R69 HydrophobicContact CE-CG 4.34Å; M51-R69 HydrophobicContact SD-CG 4.3Å
52Q95.4Very high92.1Very high113 Ų11369 Ų6953%0.52837%0.373SS..Hα-helixtrans-65.9-50.3173.4179.9178.9-8.800111.4D48 R49 F50 L54 T55 E56D48-Q52 WeakPolarHBondContact O-CB 3.45Å; D48-Q52 PolarHBondContact O-N 3.2Å; R49-Q52 PolarHBondContact O-N 3.32Å; F50-Q52 VanDerWaalsContact C-N 3.32Å; F50-Q52 PolarHBondContact O-N 2.95Å; Q52-L54 VanDerWaalsContact C-N 3.28Å; Q52-L54 PolarHBondContact O-N 3.07Å; Q52-T55 WeakPolarHBondContact O-CA 3.39Å; Q52-T55 WeakPolarHBondContact O-CB 3.29Å; Q52-T55 PolarHBondContact O-N 2.93Å; Q52-E56 HydrophobicContact CG-CG 4.43Å; Q52-E56 WeakPolarHBondContact CG-OE1 3.32Å; Q52-E56 PolarHBondContact NE2-OE1 3.41Å; Q52-E56 PolarHBondContact O-N 3.02Å
53Q96.3Very high92.1Very high31 Ų3169.4 Ų69.415%0.14537%0.373CS..Hα-helixtrans-58.8-38.6178.8-73.4179.9-54.200112.2I36 R49 F50 T55 E56 F57I36-Q53 HydrophobicContact CD1-CB 4.31Å; I36-Q53 HydrophobicContact CG1-CB 4.41Å; I36-Q53 HydrophobicContact CG2-CB 4.02Å; R49-Q53 HydrophobicContact CG-CG 4.44Å; R49-Q53 WeakPolarHBondContact O-CG 3.25Å; R49-Q53 PolarHBondContact O-N 3.32Å; F50-Q53 PolarHBondContact O-N 3.4Å; Q53-T55 VanDerWaalsContact C-N 3.33Å; Q53-E56 PolarHBondContact O-N 3.35Å; Q53-F57 VanDerWaalsContact O-CB 3.29Å; Q53-F57 WeakPolarHBondContact O-CB 3.25Å; Q53-F57 PolarHBondContact O-N 3.32Å
54L96.3Very high92.3Very high1 Ų170.5 Ų70.51%0.00539%0.386CS..Hα-helixtrans-66.1-35.3173.8-68.2-176.4000112.6L33 I36 F50 Q52 A58 L68 R69 M72L33-L54 HydrophobicContact CD2-CD2 4.14Å; I36-L54 HydrophobicContact CG2-CD2 4.2Å; F50-L54 HydrophobicContact CD1-CD1 4.33Å; F50-L54 HydrophobicContact CE1-CD1 3.78Å; F50-L54 HydrophobicContact CE2-CD1 4.13Å; F50-L54 HydrophobicContact CE2-CD2 4.42Å; F50-L54 HydrophobicContact CE2-CG 4.26Å; F50-L54 HydrophobicContact CZ-CD1 3.68Å; F50-L54 HydrophobicContact CZ-CG 4.31Å; F50-L54 WeakPolarHBondContact O-CG 3.17Å; F50-L54 PolarHBondContact O-N 3.27Å; F50-L54 VanDerWaalsContact O-N 3.07Å; Q52-L54 VanDerWaalsContact C-N 3.28Å; Q52-L54 PolarHBondContact O-N 3.07Å; L54-A58 VanDerWaalsContact O-CB 3.32Å; L54-A58 WeakPolarHBondContact O-CB 3.35Å; L54-A58 PolarHBondContact O-N 2.95Å; L54-L68 HydrophobicContact CB-CD2 4.48Å; L54-L68 HydrophobicContact CD2-CD2 4.45Å; L54-L68 WeakPolarHBondContact O-CD2 3.46Å; L54-R69 HydrophobicContact CB-CG 4.5Å; L54-R69 HydrophobicContact CD1-CG 4.16Å; L54-M72 HydrophobicContact CD1-CB 4Å; L54-M72 HydrophobicContact CD1-CG 3.99Å; L54-M72 HydrophobicContact CD2-CG 3.77Å
55T95.9Very high92.7Very high55 Ų5569.6 Ų69.634%0.33738%0.382SS..Hα-helixtrans-70.9-41.9176.5-72.60000112.1M51 Q52 Q53 A58 G59 R69M51-T55 PolarHBondContact O-N 3.5Å; M51-T55 PolarHBondContact O-OG1 3.25Å; Q52-T55 WeakPolarHBondContact O-CA 3.39Å; Q52-T55 WeakPolarHBondContact O-CB 3.29Å; Q52-T55 PolarHBondContact O-N 2.93Å; Q53-T55 VanDerWaalsContact C-N 3.33Å; T55-A58 PolarHBondContact O-N 3.07Å; T55-G59 PolarHBondContact O-N 3.43Å; T55-R69 PolarHBondContact OG1-NH2 3.47Å
56E96.3Very high93.2Very high93 Ų9362.3 Ų62.344%0.43536%0.36SS..Hα-helixtrans-61.2-50.4174.9-71.3169.9-177.700110.5Q52 Q53 A58 G59 E60Q52-E56 HydrophobicContact CG-CG 4.43Å; Q52-E56 WeakPolarHBondContact CG-OE1 3.32Å; Q52-E56 PolarHBondContact NE2-OE1 3.41Å; Q52-E56 PolarHBondContact O-N 3.02Å; Q53-E56 PolarHBondContact O-N 3.35Å; E56-A58 VanDerWaalsContact C-N 3.3Å; E56-A58 PolarHBondContact O-N 3.37Å; E56-G59 PolarHBondContact O-N 3.22Å; E56-E60 WeakPolarHBondContact O-CG 3.44Å; E56-E60 PolarHBondContact O-N 3.42Å
57F96.6Very high93.5Very high6 Ų662.8 Ų62.83%0.02637%0.369CS..Hα-helixtrans-55.5-44.3175.1179.9-81.5000112.1F25 Q29 R32 L33 Q53 G59 H61 M63 L68F25-F57 HydrophobicContact CD1-CE1 4.38Å; F25-F57 HydrophobicContact CD1-CZ 4.28Å; F25-F57 AromaticContact CE1-CE1 3.95Å; F25-F57 HydrophobicContact CE1-CE1 3.95Å; F25-F57 HydrophobicContact CE1-CZ 4.29Å; Q29-F57 HydrophobicContact CB-CE2 4.44Å; Q29-F57 HydrophobicContact CB-CZ 3.97Å; Q29-F57 HydrophobicContact CG-CZ 4.18Å; R32-F57 HydrophobicContact CB-CE2 4.2Å; R32-F57 HydrophobicContact CG-CD2 4.07Å; R32-F57 HydrophobicContact CG-CE2 4.16Å; L33-F57 HydrophobicContact CD1-CE1 3.94Å; L33-F57 HydrophobicContact CD1-CZ 3.82Å; L33-F57 HydrophobicContact CD2-CD1 3.75Å; L33-F57 HydrophobicContact CD2-CD2 4.12Å; L33-F57 HydrophobicContact CD2-CE1 3.67Å; L33-F57 HydrophobicContact CD2-CE2 4.03Å; L33-F57 HydrophobicContact CD2-CG 3.98Å; L33-F57 HydrophobicContact CD2-CZ 3.8Å; L33-F57 HydrophobicContact CG-CD1 4.43Å; L33-F57 HydrophobicContact CG-CD2 4.44Å; L33-F57 HydrophobicContact CG-CE1 3.88Å; L33-F57 HydrophobicContact CG-CE2 3.87Å; L33-F57 HydrophobicContact CG-CZ 3.55Å; Q53-F57 VanDerWaalsContact O-CB 3.29Å; Q53-F57 WeakPolarHBondContact O-CB 3.25Å; Q53-F57 PolarHBondContact O-N 3.32Å; F57-G59 PolarHBondContact O-N 3.16Å; F57-H61 AromaticContact CD1-CD2 3.88Å; F57-H61 AromaticContact CD2-CD2 3.74Å; F57-H61 AromaticContact CD2-NE2 3.89Å; F57-H61 AromaticContact CE1-CD2 3.66Å; F57-H61 AromaticContact CE2-CD2 3.51Å; F57-H61 AromaticContact CE2-NE2 3.54Å; F57-H61 AromaticContact CG-CD2 3.93Å; F57-H61 AromaticContact CZ-CD2 3.48Å; F57-H61 VanDerWaalsContact CZ-CD2 3.48Å; F57-H61 WeakPolarHBondContact CZ-CD2 3.46Å; F57-H61 AromaticContact CZ-NE2 3.88Å; F57-H61 PolarHBondContact O-CD2 3.04Å; F57-H61 PolarHBondContact O-N 3.06Å; F57-M63 HydrophobicContact CE1-SD 4.11Å; F57-L68 HydrophobicContact CD1-CD2 3.56Å; F57-L68 HydrophobicContact CE1-CD2 4.21Å; F57-L68 HydrophobicContact CG-CD2 4.48Å
58A95.3Very high93.8Very high1 Ų159.7 Ų59.71%0.00835%0.35CS..Hα-helixtrans-62.8-43177.700000111.6L54 T55 E56 H61 G62 M63 A65 L68L54-A58 VanDerWaalsContact O-CB 3.32Å; L54-A58 WeakPolarHBondContact O-CB 3.35Å; L54-A58 PolarHBondContact O-N 2.95Å; T55-A58 PolarHBondContact O-N 3.07Å; E56-A58 VanDerWaalsContact C-N 3.3Å; E56-A58 PolarHBondContact O-N 3.37Å; A58-H61 PolarHBondContact O-N 2.84Å; A58-G62 PolarHBondContact O-N 2.97Å; A58-G62 VanDerWaalsContact O-N 3.14Å; A58-M63 CarbonylContact C-O 3.5Å; A58-M63 HydrophobicContact CB-CB 4.2Å; A58-M63 PolarHBondContact O-N 2.82Å; A58-A65 HydrophobicContact CB-CB 4.06Å; A58-L68 HydrophobicContact CB-CD2 3.92Å
59G94.1Very high93.9Very high58 Ų5857 Ų5760%0.59833%0.329SS*.Hα-helixtrans-62.8-45.817800000113T55 E56 F57 H61 G62T55-G59 PolarHBondContact O-N 3.43Å; E56-G59 PolarHBondContact O-N 3.22Å; F57-G59 PolarHBondContact O-N 3.16Å; G59-H61 PolarHBondContact O-N 2.87Å; G59-G62 PolarHBondContact O-N 2.91Å
60E93.8Very high93.8Very high149 Ų14957 Ų5770%0.69634%0.336SS*.Hα-helixtrans-62.1-31179.2-72.2176.8176.700113E56E56-E60 WeakPolarHBondContact O-CG 3.44Å; E56-E60 PolarHBondContact O-N 3.42Å
61H91.1Very high93.9Very high76 Ų7657 Ų5735%0.35234%0.336SS..THydrogen-bonded Turntrans-104.310.9-177.4-64.1-55.1000114.1Q29 F57 A58 G59 M63Q29-H61 PolarHBondContact NE2-ND1 3.48Å; F57-H61 AromaticContact CD1-CD2 3.88Å; F57-H61 AromaticContact CD2-CD2 3.74Å; F57-H61 AromaticContact CD2-NE2 3.89Å; F57-H61 AromaticContact CE1-CD2 3.66Å; F57-H61 AromaticContact CE2-CD2 3.51Å; F57-H61 AromaticContact CE2-NE2 3.54Å; F57-H61 AromaticContact CG-CD2 3.93Å; F57-H61 AromaticContact CZ-CD2 3.48Å; F57-H61 VanDerWaalsContact CZ-CD2 3.48Å; F57-H61 WeakPolarHBondContact CZ-CD2 3.46Å; F57-H61 AromaticContact CZ-NE2 3.88Å; F57-H61 PolarHBondContact O-CD2 3.04Å; F57-H61 PolarHBondContact O-N 3.06Å; A58-H61 PolarHBondContact O-N 2.84Å; G59-H61 PolarHBondContact O-N 2.87Å; H61-M63 HydrophobicContact CB-CG 4.07Å; H61-M63 HydrophobicContact CB-SD 4.13Å; H61-M63 PolarHBondContact O-N 3.15Å
62G89.5Confident93.9Very high76 Ų7654.2 Ų54.278%0.78432%0.323SS*.THydrogen-bonded Turntrans6527177.900000113.8A58 G59A58-G62 PolarHBondContact O-N 2.97Å; A58-G62 VanDerWaalsContact O-N 3.14Å; G59-G62 PolarHBondContact O-N 2.91Å
63M91.6Very high93.8Very high70 Ų7054.6 Ų54.635%0.34532%0.323SS..  trans-100.8156.9-178.4-5717974.900111.3F25 F57 A58 H61F25-M63 HydrophobicContact CE1-CE 3.38Å; F25-M63 HydrophobicContact CE1-SD 3.61Å; F25-M63 HydrophobicContact CZ-CE 3.42Å; F25-M63 VanDerWaalsContact CZ-CE 3.42Å; F25-M63 HydrophobicContact CZ-SD 4.27Å; F57-M63 HydrophobicContact CE1-SD 4.11Å; A58-M63 CarbonylContact C-O 3.5Å; A58-M63 HydrophobicContact CB-CB 4.2Å; A58-M63 PolarHBondContact O-N 2.82Å; H61-M63 HydrophobicContact CB-CG 4.07Å; H61-M63 HydrophobicContact CB-SD 4.13Å; H61-M63 PolarHBondContact O-N 3.15Å
64S92.2Very high93.6Very high80 Ų8053.6 Ų53.656%0.55932%0.319SS*.  trans-80.6130.1168.7-1790000110.6G66 P67 L68S64-G66 VanDerWaalsContact C-N 3.28Å; S64-G66 PolarHBondContact O-N 3.35Å; S64-P67 WeakPolarHBondContact O-CD 3.47Å; S64-P67 VanDerWaalsContact OG-CD 3.29Å; S64-P67 WeakPolarHBondContact OG-CD 3.45Å; S64-L68 PolarHBondContact O-N 2.92Å
65A92.4Very high93.6Very high24 Ų2453.7 Ų53.720%0.19832%0.32CS..Hα-helixtrans-64.2-30.9-179.700000113A58 R69A58-A65 HydrophobicContact CB-CB 4.06Å; A65-R69 WeakPolarHBondContact O-CB 3.15Å; A65-R69 WeakPolarHBondContact O-CD 3.38Å; A65-R69 WeakPolarHBondContact O-CG 3.27Å; A65-R69 PolarHBondContact O-N 3.37Å
66G93.3Very high93.5Very high34 Ų3451.9 Ų51.935%0.35131%0.308SS..Hα-helixtrans-61.8-58.3-179.200000113S64 L68 R69 N70S64-G66 VanDerWaalsContact C-N 3.28Å; S64-G66 PolarHBondContact O-N 3.35Å; G66-L68 VanDerWaalsContact C-N 3.32Å; G66-L68 PolarHBondContact O-N 2.89Å; G66-R69 PolarHBondContact O-N 3.43Å; G66-N70 PolarHBondContact O-N 3.37Å
67P92.4Very high93.3Very high82 Ų8250.2 Ų50.253%0.53230%0.302SS..Hα-helixtrans-55.8-41.9174.1-28.436000113.5S64 R69 N70 L71S64-P67 WeakPolarHBondContact O-CD 3.47Å; S64-P67 VanDerWaalsContact OG-CD 3.29Å; S64-P67 WeakPolarHBondContact OG-CD 3.45Å; P67-R69 PolarHBondContact O-N 3.25Å; P67-N70 PolarHBondContact O-N 2.91Å; P67-L71 WeakPolarHBondContact O-CB 3.32Å; P67-L71 PolarHBondContact O-N 2.78Å
68L94.7Very high93.2Very high3 Ų350 Ų502%0.01630%0.301CS..Hα-helixtrans-62.5-44.5177.7-179.264.7000111.8F25 L33 L54 F57 A58 S64 G66 N70 L71 M72F25-L68 HydrophobicContact CE1-CD1 4.38Å; F25-L68 HydrophobicContact CZ-CD1 4.03Å; L33-L68 HydrophobicContact CD1-CD1 4.23Å; L33-L68 HydrophobicContact CD2-CD1 4.08Å; L33-L68 HydrophobicContact CD2-CD2 4.45Å; L54-L68 HydrophobicContact CB-CD2 4.48Å; L54-L68 HydrophobicContact CD2-CD2 4.45Å; L54-L68 WeakPolarHBondContact O-CD2 3.46Å; F57-L68 HydrophobicContact CD1-CD2 3.56Å; F57-L68 HydrophobicContact CE1-CD2 4.21Å; F57-L68 HydrophobicContact CG-CD2 4.48Å; A58-L68 HydrophobicContact CB-CD2 3.92Å; S64-L68 PolarHBondContact O-N 2.92Å; G66-L68 VanDerWaalsContact C-N 3.32Å; G66-L68 PolarHBondContact O-N 2.89Å; L68-N70 VanDerWaalsContact C-N 3.3Å; L68-N70 PolarHBondContact O-N 3.41Å; L68-L71 WeakPolarHBondContact O-CB 3.45Å; L68-L71 PolarHBondContact O-N 3.39Å; L68-M72 HydrophobicContact CD1-CG 4.34Å; L68-M72 HydrophobicContact CG-CG 4.49Å; L68-M72 WeakPolarHBondContact O-CG 3.37Å; L68-M72 PolarHBondContact O-N 2.98Å
69R93.9Very high93.1Very high83 Ų8350 Ų5031%0.31330%0.301SS..Hα-helixtrans-60.6-40.4176.2-73.8166.2-179.4-172.9-0.7111.8M51 L54 T55 A65 G66 P67 M72 K73M51-R69 HydrophobicContact CE-CG 4.34Å; M51-R69 HydrophobicContact SD-CG 4.3Å; L54-R69 HydrophobicContact CB-CG 4.5Å; L54-R69 HydrophobicContact CD1-CG 4.16Å; T55-R69 PolarHBondContact OG1-NH2 3.47Å; A65-R69 WeakPolarHBondContact O-CB 3.15Å; A65-R69 WeakPolarHBondContact O-CD 3.38Å; A65-R69 WeakPolarHBondContact O-CG 3.27Å; A65-R69 PolarHBondContact O-N 3.37Å; G66-R69 PolarHBondContact O-N 3.43Å; P67-R69 PolarHBondContact O-N 3.25Å; R69-M72 PolarHBondContact O-N 3.24Å; R69-K73 WeakPolarHBondContact O-CG 3.41Å; R69-K73 PolarHBondContact O-N 2.92Å
70N91.6Very high92.8Very high89 Ų8952.3 Ų52.348%0.47630%0.296SS..Hα-helixtrans-65.8-43.9176.8-72.8-17.5000111.6G66 P67 L68 M72 K73 S74G66-N70 PolarHBondContact O-N 3.37Å; P67-N70 PolarHBondContact O-N 2.91Å; L68-N70 VanDerWaalsContact C-N 3.3Å; L68-N70 PolarHBondContact O-N 3.41Å; N70-M72 VanDerWaalsContact C-N 3.33Å; N70-M72 PolarHBondContact O-N 3.08Å; N70-K73 WeakPolarHBondContact O-CB 3.32Å; N70-K73 PolarHBondContact O-N 3.11Å; N70-S74 PolarHBondContact O-N 2.95Å
71L94.7Very high92.6Very high12 Ų1245.8 Ų45.86%0.06327%0.269CS..Hα-helixtrans-57.4-47.1174.2-176.3151.1000110.9D18 N21 L22 F25 P67 L68 K73 S74 V75D18-L71 HydrophobicContact CB-CG 4.28Å; N21-L71 HydrophobicContact CB-CD1 3.86Å; L22-L71 HydrophobicContact CD2-CD1 4.48Å; L22-L71 HydrophobicContact CD2-CD2 3.45Å; L22-L71 VanDerWaalsContact CD2-CD2 3.45Å; L22-L71 HydrophobicContact CD2-CG 4.49Å; L22-L71 HydrophobicContact CG-CD1 4.43Å; L22-L71 HydrophobicContact CG-CD2 3.89Å; F25-L71 HydrophobicContact CE2-CD1 4.15Å; P67-L71 WeakPolarHBondContact O-CB 3.32Å; P67-L71 PolarHBondContact O-N 2.78Å; L68-L71 WeakPolarHBondContact O-CB 3.45Å; L68-L71 PolarHBondContact O-N 3.39Å; L71-K73 VanDerWaalsContact C-N 3.29Å; L71-K73 PolarHBondContact O-N 3.31Å; L71-S74 WeakPolarHBondContact O-CB 3.33Å; L71-S74 PolarHBondContact O-N 3.15Å; L71-V75 HydrophobicContact CD2-CG2 4.03Å; L71-V75 WeakPolarHBondContact O-CG2 3.46Å; L71-V75 PolarHBondContact O-N 3.4Å; L71-V75 VanDerWaalsContact O-N 3.07Å
72M95.1Very high92.7Very high2 Ų242.2 Ų42.21%0.0125%0.252CS..Hα-helixtrans-66.6-28.2-179.4-68.6-52.3-59.200113.4L33 L37 F50 L54 L68 R69 N70 V75 L76L33-M72 HydrophobicContact CB-SD 4.4Å; L33-M72 HydrophobicContact CD2-SD 4.25Å; L37-M72 HydrophobicContact CB-CE 3.99Å; L37-M72 HydrophobicContact CD1-CE 4.08Å; L37-M72 HydrophobicContact CG-CE 4.45Å; F50-M72 HydrophobicContact CZ-CB 4.4Å; L54-M72 HydrophobicContact CD1-CB 4Å; L54-M72 HydrophobicContact CD1-CG 3.99Å; L54-M72 HydrophobicContact CD2-CG 3.77Å; L68-M72 HydrophobicContact CD1-CG 4.34Å; L68-M72 HydrophobicContact CG-CG 4.49Å; L68-M72 WeakPolarHBondContact O-CG 3.37Å; L68-M72 PolarHBondContact O-N 2.98Å; R69-M72 PolarHBondContact O-N 3.24Å; N70-M72 VanDerWaalsContact C-N 3.33Å; N70-M72 PolarHBondContact O-N 3.08Å; M72-V75 HydrophobicContact CE-CB 4.38Å; M72-V75 HydrophobicContact CE-CG1 4.43Å; M72-V75 PolarHBondContact O-N 3.17Å; M72-V75 HydrophobicContact SD-CG2 4.44Å; M72-L76 WeakPolarHBondContact O-CG 3.46Å; M72-L76 PolarHBondContact O-N 3.04Å
73K91.9Very high92.7Very high122 Ų12240.4 Ų40.453%0.5323%0.225SC..Hα-helixtrans-63.1-41.4170-72.6171.6-176.5175.20111.7R69 N70 L71 V75 L76R69-K73 WeakPolarHBondContact O-CG 3.41Å; R69-K73 PolarHBondContact O-N 2.92Å; N70-K73 WeakPolarHBondContact O-CB 3.32Å; N70-K73 PolarHBondContact O-N 3.11Å; L71-K73 VanDerWaalsContact C-N 3.29Å; L71-K73 PolarHBondContact O-N 3.31Å; K73-V75 VanDerWaalsContact C-N 3.32Å; K73-L76 PolarHBondContact O-N 3.34Å
74S93.8Very high92.4Very high10 Ų1045.8 Ų45.87%0.0725%0.246CC..Hα-helixtrans-64-39.9175.1-64.20000111.3D18 N70 L71 L76 L77D18-S74 WeakPolarHBondContact OD2-CB 3.42Å; D18-S74 PolarHBondContact OD2-OG 3.08Å; N70-S74 PolarHBondContact O-N 2.95Å; L71-S74 WeakPolarHBondContact O-CB 3.33Å; L71-S74 PolarHBondContact O-N 3.15Å; S74-L76 PolarHBondContact O-N 3.06Å; S74-L77 WeakPolarHBondContact O-CB 3.37Å; S74-L77 PolarHBondContact O-N 3.42Å
75V95.4Very high92.2Very high2 Ų245.2 Ų45.21%0.01223%0.234CC..Hα-helixtrans-64-39.8176.5-1790000112.2F19 L22 L37 L71 M72 K73 L77 V78 P79 F109F19-V75 HydrophobicContact CZ-CG2 4.37Å; L22-V75 HydrophobicContact CD1-CG2 3.61Å; L22-V75 HydrophobicContact CD2-CG2 4.43Å; L22-V75 HydrophobicContact CG-CG2 4.43Å; L37-V75 HydrophobicContact CD2-CG1 3.6Å; L71-V75 HydrophobicContact CD2-CG2 4.03Å; L71-V75 WeakPolarHBondContact O-CG2 3.46Å; L71-V75 PolarHBondContact O-N 3.4Å; L71-V75 VanDerWaalsContact O-N 3.07Å; M72-V75 HydrophobicContact CE-CB 4.38Å; M72-V75 HydrophobicContact CE-CG1 4.43Å; M72-V75 PolarHBondContact O-N 3.17Å; M72-V75 HydrophobicContact SD-CG2 4.44Å; K73-V75 VanDerWaalsContact C-N 3.32Å; V75-L77 PolarHBondContact O-N 3.42Å; V75-L77 VanDerWaalsContact O-N 3.15Å; V75-V78 PolarHBondContact O-N 2.92Å; V75-P79 WeakPolarHBondContact O-CD 3.4Å; V75-F109 HydrophobicContact CG1-CE2 3.86Å
76L93.9Very high91.9Very high17 Ų1749 Ų499%0.08925%0.25CS..Hα-helixtrans-59.1-24.2179-85163.7000114L37 F40 L41 F50 M72 K73 S74 V78 P79 Q80L37-L76 HydrophobicContact CD1-CD2 3.36Å; L37-L76 HydrophobicContact CD1-CG 3.6Å; F40-L76 HydrophobicContact CD1-CD2 4.01Å; F40-L76 HydrophobicContact CE1-CD1 4.33Å; F40-L76 HydrophobicContact CE1-CD2 3.99Å; L41-L76 HydrophobicContact CD2-CD2 3.94Å; F50-L76 HydrophobicContact CE1-CD1 4.17Å; F50-L76 HydrophobicContact CZ-CD1 4.23Å; M72-L76 WeakPolarHBondContact O-CG 3.46Å; M72-L76 PolarHBondContact O-N 3.04Å; K73-L76 PolarHBondContact O-N 3.34Å; S74-L76 PolarHBondContact O-N 3.06Å; L76-V78 VanDerWaalsContact C-N 3.29Å; L76-V78 PolarHBondContact O-N 3.33Å; L76-P79 VanDerWaalsContact O-CD 3.31Å; L76-P79 WeakPolarHBondContact O-CD 3.4Å; L76-P79 WeakPolarHBondContact O-CG 3.37Å; L76-Q80 WeakPolarHBondContact O-CB 3.41Å; L76-Q80 WeakPolarHBondContact O-CG 3.37Å; L76-Q80 PolarHBondContact O-N 3.21Å
77L91.9Very high91.8Very high58 Ų5847.9 Ų47.930%0.30424%0.236SC..Hα-helixtrans-63.7-34.9-179.9-61.3177000112.6F6 L11 V15 S74 V75 G81F6-L77 WeakPolarHBondContact CD2-O 3.36Å; F6-L77 HydrophobicContact CE2-CB 4.03Å; L11-L77 HydrophobicContact CD2-CD1 4.38Å; V15-L77 HydrophobicContact CG2-CD1 3.83Å; S74-L77 WeakPolarHBondContact O-CB 3.37Å; S74-L77 PolarHBondContact O-N 3.42Å; V75-L77 PolarHBondContact O-N 3.42Å; V75-L77 VanDerWaalsContact O-N 3.15Å; L77-G81 PolarHBondContact O-N 3.27Å
78V94.4Very high91.9Very high1 Ų147 Ų471%0.00623%0.23CC..Hα-helixtrans-65.1-59.4-177.8177.30000111.6F6 F19 V75 L76 Q80 G81 A82 V92 L96 L99 F109F6-V78 HydrophobicContact CD1-CG2 4.33Å; F6-V78 HydrophobicContact CE1-CG2 3.88Å; F6-V78 HydrophobicContact CE2-CG2 4.33Å; F6-V78 HydrophobicContact CZ-CG2 3.86Å; F19-V78 HydrophobicContact CE1-CG2 4.28Å; F19-V78 HydrophobicContact CE2-CG2 4.16Å; F19-V78 HydrophobicContact CZ-CG2 3.49Å; F19-V78 VanDerWaalsContact CZ-CG2 3.49Å; V75-V78 PolarHBondContact O-N 2.92Å; L76-V78 VanDerWaalsContact C-N 3.29Å; L76-V78 PolarHBondContact O-N 3.33Å; V78-Q80 VanDerWaalsContact C-N 3.27Å; V78-Q80 PolarHBondContact O-N 3.07Å; V78-G81 PolarHBondContact O-N 2.92Å; V78-A82 WeakPolarHBondContact O-CB 3.38Å; V78-A82 PolarHBondContact O-N 3.21Å; V78-V92 HydrophobicContact CG1-CG1 4.23Å; V78-L96 HydrophobicContact CG1-CD2 4.23Å; V78-L96 HydrophobicContact CG2-CD2 4.34Å; V78-L99 HydrophobicContact CG2-CD1 3.73Å; V78-F109 HydrophobicContact CG1-CE1 4.33Å
79P92.7Very high91.9Very high2 Ų249 Ų491%0.01324%0.242CC..Hα-helixtrans-64.1-31.9-179.424.4-32.1000112.2L41 V75 L76 L83 F109 W113L41-P79 HydrophobicContact CD1-CB 3.64Å; L41-P79 HydrophobicContact CD1-CG 3.69Å; L41-P79 HydrophobicContact CD2-CB 4.5Å; L41-P79 HydrophobicContact CD2-CG 4.33Å; V75-P79 WeakPolarHBondContact O-CD 3.4Å; L76-P79 VanDerWaalsContact O-CD 3.31Å; L76-P79 WeakPolarHBondContact O-CD 3.4Å; L76-P79 WeakPolarHBondContact O-CG 3.37Å; P79-L83 VanDerWaalsContact O-CB 3.25Å; P79-L83 WeakPolarHBondContact O-CB 3.2Å; P79-L83 PolarHBondContact O-N 2.95Å; P79-F109 HydrophobicContact CG-CZ 4.38Å; P79-W113 HydrophobicContact CB-CE3 4.23Å; P79-W113 HydrophobicContact CB-CZ3 3.91Å
80Q89.6Confident92Very high106 Ų10650.7 Ų50.750%0.49525%0.254SS..Hα-helixtrans-65.5-48174.9-72.3174.6-3.400112.2L76 V78 K84L76-Q80 WeakPolarHBondContact O-CB 3.41Å; L76-Q80 WeakPolarHBondContact O-CG 3.37Å; L76-Q80 PolarHBondContact O-N 3.21Å; V78-Q80 VanDerWaalsContact C-N 3.27Å; V78-Q80 PolarHBondContact O-N 3.07Å; Q80-K84 WeakPolarHBondContact O-CB 3.03Å; Q80-K84 PolarHBondContact O-N 2.78Å; Q80-K84 VanDerWaalsContact O-N 3.16Å
81G89.1Confident92.1Very high13 Ų1349.4 Ų49.413%0.13424%0.244CC..Hα-helixtrans-67.9-38.2176.500000112.3L77 V78 K84 K85L77-G81 PolarHBondContact O-N 3.27Å; V78-G81 PolarHBondContact O-N 2.92Å; G81-K84 PolarHBondContact O-N 3.38Å; G81-K85 PolarHBondContact O-N 3.03Å; G81-K85 VanDerWaalsContact O-N 3.12Å
82A91.8Very high92.2Very high0 Ų048.9 Ų48.90%024%0.242CC..Hα-helixtrans-62.6-43.9177.900000111.6V78 K85 N86 L87 V92 W113V78-A82 WeakPolarHBondContact O-CB 3.38Å; V78-A82 PolarHBondContact O-N 3.21Å; A82-K85 CarbonylContact O-C 3.6Å; A82-K85 PolarHBondContact O-N 3.41Å; A82-N86 PolarHBondContact O-N 3.47Å; A82-L87 HydrophobicContact CB-CB 4.05Å; A82-L87 HydrophobicContact CB-CD1 3.96Å; A82-L87 HydrophobicContact CB-CG 4.2Å; A82-L87 PolarHBondContact O-N 3.33Å; A82-V92 HydrophobicContact CB-CG2 3.76Å; A82-W113 HydrophobicContact CB-CH2 3.69Å; A82-W113 HydrophobicContact CB-CZ2 3.59Å; A82-W113 HydrophobicContact CB-CZ3 4.25Å
83L89.8Confident92.3Very high39 Ų3951.5 Ų51.520%0.20425%0.253CS..Hα-helixtrans-65.2-44.9177.4-165.557.9000111.5P79 K85 N86 W113 Y117 L120 A124P79-L83 VanDerWaalsContact O-CB 3.25Å; P79-L83 WeakPolarHBondContact O-CB 3.2Å; P79-L83 PolarHBondContact O-N 2.95Å; L83-K85 PolarHBondContact O-N 3.38Å; L83-N86 PolarHBondContact O-N 2.74Å; L83-W113 HydrophobicContact CB-CH2 3.9Å; L83-W113 HydrophobicContact CD1-CH2 4.11Å; L83-Y117 HydrophobicContact CD1-CE2 4.37Å; L83-L120 HydrophobicContact CD1-CB 4.17Å; L83-L120 HydrophobicContact CD2-CB 4.38Å; L83-A124 HydrophobicContact CD2-CB 3.62Å; L83-A124 HydrophobicContact CG-CB 4.05Å
84K86.1Confident92.5Very high182 Ų18250.2 Ų50.279%0.79125%0.249SC*.Hα-helixtrans-61-29.9179.3-173.9175.9-179.6179.50113Q80 G81Q80-K84 WeakPolarHBondContact O-CB 3.03Å; Q80-K84 PolarHBondContact O-N 2.78Å; Q80-K84 VanDerWaalsContact O-N 3.16Å; G81-K84 PolarHBondContact O-N 3.38Å
85K86.9Confident92.6Very high69 Ų6949.8 Ų49.830%0.325%0.246SC..Hα-helixtrans-106.24.2-177.7-67.3-177.6178.4179.10113.9H5 F6 G81 A82 L83 L87H5-K85 WeakPolarHBondContact O-CD 3.29Å; H5-K85 WeakPolarHBondContact O-CE 3.42Å; H5-K85 PolarHBondContact O-NZ 3.25Å; F6-K85 VanDerWaalsContact O-CE 3.23Å; F6-K85 WeakPolarHBondContact O-CE 3.45Å; F6-K85 PolarHBondContact O-NZ 3.17Å; F6-K85 VanDerWaalsContact O-NZ 3.12Å; G81-K85 PolarHBondContact O-N 3.03Å; G81-K85 VanDerWaalsContact O-N 3.12Å; A82-K85 CarbonylContact O-C 3.6Å; A82-K85 PolarHBondContact O-N 3.41Å; L83-K85 PolarHBondContact O-N 3.38Å; K85-L87 VanDerWaalsContact C-N 3.32Å; K85-L87 HydrophobicContact CB-CD2 3.83Å; K85-L87 HydrophobicContact CB-CG 4.07Å; K85-L87 PolarHBondContact O-N 2.91Å
86N87.4Confident92.6Very high103 Ų10349.7 Ų49.755%0.55125%0.246SC*.THydrogen-bonded Turntrans5346.5-177.2-54.1-63.3000112.8A82 L83A82-N86 PolarHBondContact O-N 3.47Å; L83-N86 PolarHBondContact O-N 2.74Å
87L91.7Very high92.7Very high10 Ų1052.2 Ų52.25%0.05226%0.258CS..  trans-71143.1-177.1-60.5-172.2000112.5H5 F6 A82 K85 Q91 V92 W113H5-L87 HydrophobicContact CB-CD1 3.73Å; H5-L87 HydrophobicContact CB-CD2 3.83Å; H5-L87 HydrophobicContact CB-CG 4.45Å; F6-L87 HydrophobicContact CB-CD1 3.74Å; A82-L87 HydrophobicContact CB-CB 4.05Å; A82-L87 HydrophobicContact CB-CD1 3.96Å; A82-L87 HydrophobicContact CB-CG 4.2Å; A82-L87 PolarHBondContact O-N 3.33Å; K85-L87 VanDerWaalsContact C-N 3.32Å; K85-L87 HydrophobicContact CB-CD2 3.83Å; K85-L87 HydrophobicContact CB-CG 4.07Å; K85-L87 PolarHBondContact O-N 2.91Å; L87-Q91 HydrophobicContact CB-CB 4.21Å; L87-V92 HydrophobicContact CB-CG2 4.02Å; L87-V92 HydrophobicContact CD1-CG2 4.49Å; L87-W113 PolarHBondContact O-NE1 2.87Å; L87-W113 VanDerWaalsContact O-NE1 3.13Å
88T93.1Very high92.8Very high64 Ų6451.9 Ų51.939%0.39326%0.259SS..  trans-75.2165.3173.678.80000111.8E90 Q91 V92T88-E90 WeakPolarHBondContact CB-OE2 3.28Å; T88-E90 PolarHBondContact O-N 2.79Å; T88-E90 PolarHBondContact OG1-N 3.43Å; T88-E90 PolarHBondContact OG1-OE2 3.41Å; T88-Q91 PolarHBondContact O-N 3.3Å; T88-Q91 PolarHBondContact OG1-N 3.46Å; T88-V92 WeakPolarHBondContact O-CG2 3.36Å; T88-V92 PolarHBondContact O-N 2.86Å
89T95Very high92.8Very high44 Ų4452.4 Ų52.427%0.2726%0.262SS..Hα-helixtrans-54.5-40.8173.6-710000112.2V92 K93 S110 G114T89-V92 PolarHBondContact O-N 3.22Å; T89-K93 PolarHBondContact O-N 2.79Å; T89-S110 WeakPolarHBondContact CG2-O 3.22Å; T89-S110 WeakPolarHBondContact O-CB 3.38Å; T89-G114 WeakPolarHBondContact OG1-CA 3.26Å
90E95.4Very high92.9Very high120 Ų12053.5 Ų53.556%0.56127%0.274SS*.Hα-helixtrans-66.3-46.7179.6-62.168.2-147.700111.1T88 V92 K93 E94T88-E90 WeakPolarHBondContact CB-OE2 3.28Å; T88-E90 PolarHBondContact O-N 2.79Å; T88-E90 PolarHBondContact OG1-N 3.43Å; T88-E90 PolarHBondContact OG1-OE2 3.41Å; E90-V92 VanDerWaalsContact C-N 3.32Å; E90-V92 PolarHBondContact O-N 3.49Å; E90-K93 WeakPolarHBondContact O-CB 3.23Å; E90-K93 PolarHBondContact O-N 3.01Å; E90-K93 VanDerWaalsContact O-N 3.09Å; E90-E94 WeakPolarHBondContact O-CG 3.37Å; E90-E94 PolarHBondContact O-N 2.92Å
91Q94.3Very high93.2Very high61 Ų6148.8 Ų48.829%0.28525%0.251SS..Hα-helixtrans-63-39.2178.2-69.8175.2-36.900112H5 L87 T88 K93 E94 D95H5-Q91 HydrophobicContact CB-CB 4.44Å; L87-Q91 HydrophobicContact CB-CB 4.21Å; T88-Q91 PolarHBondContact O-N 3.3Å; T88-Q91 PolarHBondContact OG1-N 3.46Å; Q91-K93 VanDerWaalsContact C-N 3.34Å; Q91-E94 PolarHBondContact O-N 3.36Å; Q91-D95 PolarHBondContact O-N 3.34Å
92V96.7Very high93.5Very high1 Ų150.8 Ų50.81%0.00626%0.259CS..Hα-helixtrans-63.6-41.5173.4171.40000110.8V78 A82 L87 T88 T89 E90 D95 L96 F109 W113V78-V92 HydrophobicContact CG1-CG1 4.23Å; A82-V92 HydrophobicContact CB-CG2 3.76Å; L87-V92 HydrophobicContact CB-CG2 4.02Å; L87-V92 HydrophobicContact CD1-CG2 4.49Å; T88-V92 WeakPolarHBondContact O-CG2 3.36Å; T88-V92 PolarHBondContact O-N 2.86Å; T89-V92 PolarHBondContact O-N 3.22Å; E90-V92 VanDerWaalsContact C-N 3.32Å; E90-V92 PolarHBondContact O-N 3.49Å; V92-D95 PolarHBondContact O-N 3.38Å; V92-L96 HydrophobicContact CG1-CD1 3.95Å; V92-L96 HydrophobicContact CG1-CG 4.47Å; V92-L96 WeakPolarHBondContact O-CD1 3.31Å; V92-L96 WeakPolarHBondContact O-CG 3.47Å; V92-L96 PolarHBondContact O-N 3.05Å; V92-F109 HydrophobicContact CG1-CD1 4.03Å; V92-F109 HydrophobicContact CG1-CE1 4.09Å; V92-W113 HydrophobicContact CG1-CB 4.46Å; V92-W113 HydrophobicContact CG1-CG 4.39Å; V92-W113 HydrophobicContact CG2-CD2 4.28Å; V92-W113 HydrophobicContact CG2-CG 4.11Å
93K97.4Very high93.8Very high58 Ų5855 Ų5525%0.25228%0.281SS..Hα-helixtrans-61.4-46.9176.1-171.5179.6176.2-175.80111.4T89 E90 Q91 D95 L96 L97 D103 A106T89-K93 PolarHBondContact O-N 2.79Å; E90-K93 WeakPolarHBondContact O-CB 3.23Å; E90-K93 PolarHBondContact O-N 3.01Å; E90-K93 VanDerWaalsContact O-N 3.09Å; Q91-K93 VanDerWaalsContact C-N 3.34Å; K93-D95 VanDerWaalsContact C-N 3.32Å; K93-D95 PolarHBondContact O-N 3.33Å; K93-L96 PolarHBondContact O-N 3.31Å; K93-L97 HydrophobicContact CG-CD1 4.34Å; K93-L97 WeakPolarHBondContact O-CG 3.12Å; K93-L97 PolarHBondContact O-N 3.07Å; K93-D103 WeakPolarHBondContact CE-OD1 3.26Å; K93-D103 IonicContact NZ-OD1 3.14Å; K93-D103 PolarHBondContact NZ-OD1 3.31Å; K93-D103 IonicContact NZ-OD2 3.45Å; K93-A106 HydrophobicContact CG-CB 4.16Å
94E96.1Very high94.1Very high95 Ų9559.7 Ų59.744%0.44430%0.302SS..Hα-helixtrans-59.3-42.1178-72.2175-178.100112.3H5 E90 Q91 L97 T98H5-E94 IonicContact CE1-OE2 2.64Å; H5-E94 PolarHBondContact CE1-OE2 3.15Å; H5-E94 IonicContact NE2-OE2 3.42Å; E90-E94 WeakPolarHBondContact O-CG 3.37Å; E90-E94 PolarHBondContact O-N 2.92Å; Q91-E94 PolarHBondContact O-N 3.36Å; E94-L97 PolarHBondContact O-N 3.33Å; E94-T98 WeakPolarHBondContact O-CB 3.34Å; E94-T98 PolarHBondContact O-N 3.02Å; E94-T98 PolarHBondContact O-OG1 3.29Å
95D95.4Very high94.7Very high1 Ų151.2 Ų51.21%0.00527%0.266CS..Hα-helixtrans-63.3-43.7176.6-76.1-7000111.7L4 H5 F6 Q91 V92 K93 L97 T98 L99L4-D95 WeakPolarHBondContact CA-OD1 3.32Å; L4-D95 HydrophobicContact CD2-CB 4.08Å; H5-D95 WeakPolarHBondContact CA-OD2 3.35Å; H5-D95 VanDerWaalsContact CB-OD2 3.3Å; H5-D95 WeakPolarHBondContact CB-OD2 3.32Å; H5-D95 IonicContact CE1-OD1 3.48Å; H5-D95 IonicContact CG-OD1 3.54Å; H5-D95 VanDerWaalsContact N-CG 3.29Å; H5-D95 PolarHBondContact N-OD1 3.37Å; H5-D95 PolarHBondContact N-OD2 2.98Å; H5-D95 IonicContact ND1-OD1 3.39Å; H5-D95 PolarHBondContact ND1-OD1 3.2Å; F6-D95 HydrophobicContact CD1-CB 3.97Å; F6-D95 VanDerWaalsContact CD1-OD2 3.3Å; F6-D95 WeakPolarHBondContact CD1-OD2 3.46Å; F6-D95 HydrophobicContact CE1-CB 4.43Å; F6-D95 PolarHBondContact N-OD2 3.49Å; Q91-D95 PolarHBondContact O-N 3.34Å; V92-D95 PolarHBondContact O-N 3.38Å; K93-D95 VanDerWaalsContact C-N 3.32Å; K93-D95 PolarHBondContact O-N 3.33Å; D95-L97 PolarHBondContact O-N 3.4Å; D95-T98 WeakPolarHBondContact O-CB 3.18Å; D95-T98 PolarHBondContact O-N 3Å; D95-L99 VanDerWaalsContact O-CG 3.27Å; D95-L99 WeakPolarHBondContact O-CG 3.42Å; D95-L99 PolarHBondContact O-N 3.5Å
96L96.7Very high95.2Very high0 Ų048 Ų480%025%0.252CS..Hα-helixtrans-64.2-40.5178.3-68.6166.1000112.6F19 V78 V92 K93 T98 L99 G100 L101 A106 F109F19-L96 HydrophobicContact CD1-CD2 4.21Å; F19-L96 HydrophobicContact CE1-CD2 3.47Å; F19-L96 VanDerWaalsContact CE1-CD2 3.47Å; F19-L96 HydrophobicContact CZ-CD2 4.24Å; V78-L96 HydrophobicContact CG1-CD2 4.23Å; V78-L96 HydrophobicContact CG2-CD2 4.34Å; V92-L96 HydrophobicContact CG1-CD1 3.95Å; V92-L96 HydrophobicContact CG1-CG 4.47Å; V92-L96 WeakPolarHBondContact O-CD1 3.31Å; V92-L96 WeakPolarHBondContact O-CG 3.47Å; V92-L96 PolarHBondContact O-N 3.05Å; K93-L96 PolarHBondContact O-N 3.31Å; L96-T98 VanDerWaalsContact C-N 3.32Å; L96-L99 PolarHBondContact O-N 3.26Å; L96-G100 PolarHBondContact O-N 3.15Å; L96-L101 HydrophobicContact CB-CB 4.38Å; L96-L101 HydrophobicContact CB-CD2 4.21Å; L96-L101 HydrophobicContact CD2-CD2 4.17Å; L96-L101 VanDerWaalsContact O-CB 3.32Å; L96-L101 WeakPolarHBondContact O-CB 3.42Å; L96-L101 PolarHBondContact O-N 3.16Å; L96-A106 HydrophobicContact CB-CB 3.93Å; L96-A106 HydrophobicContact CD1-CB 4.46Å; L96-F109 HydrophobicContact CD1-CB 3.68Å; L96-F109 HydrophobicContact CD1-CD1 3.51Å; L96-F109 HydrophobicContact CD1-CE1 4.35Å; L96-F109 HydrophobicContact CD1-CG 3.67Å; L96-F109 HydrophobicContact CD2-CD1 4.46Å; L96-F109 HydrophobicContact CD2-CG 4.44Å
97L96.3Very high95.7Very high69 Ų6944.8 Ų44.836%0.36124%0.239SC..Hα-helixtrans-62.6-42.2173.5-70173.7000110.9K93 E94 D95 L99 G100 D103 A106K93-L97 HydrophobicContact CG-CD1 4.34Å; K93-L97 WeakPolarHBondContact O-CG 3.12Å; K93-L97 PolarHBondContact O-N 3.07Å; E94-L97 PolarHBondContact O-N 3.33Å; D95-L97 PolarHBondContact O-N 3.4Å; L97-L99 VanDerWaalsContact C-N 3.27Å; L97-L99 PolarHBondContact O-N 2.58Å; L97-G100 PolarHBondContact O-N 2.86Å; L97-D103 HydrophobicContact CD2-CB 4.31Å; L97-A106 HydrophobicContact CD2-CB 3.97Å; L97-A106 HydrophobicContact CG-CB 4.15Å
98T94.1Very high96Very high51 Ų5147.1 Ų47.131%0.31325%0.25SS..Hα-helixtrans-62.8-34.9176.9-54.90000112M2 L4 E94 D95 L96 G100M2-T98 HydrophobicContact CB-CG2 4.06Å; M2-T98 WeakPolarHBondContact CE-OG1 3.48Å; M2-T98 HydrophobicContact CG-CG2 4.29Å; L4-T98 HydrophobicContact CD2-CG2 3.66Å; L4-T98 HydrophobicContact CG-CG2 4.42Å; E94-T98 WeakPolarHBondContact O-CB 3.34Å; E94-T98 PolarHBondContact O-N 3.02Å; E94-T98 PolarHBondContact O-OG1 3.29Å; D95-T98 WeakPolarHBondContact O-CB 3.18Å; D95-T98 PolarHBondContact O-N 3Å; L96-T98 VanDerWaalsContact C-N 3.32Å; T98-G100 PolarHBondContact O-N 3.33Å
99L93.6Very high96.3Very high13 Ų1344.2 Ų44.27%0.06823%0.232CC..THydrogen-bonded Turntrans-74.5-7.4175.2-67.2170000113.4L4 F6 L11 V15 F19 V78 D95 L96 L97L4-L99 HydrophobicContact CD1-CD2 3.77Å; L4-L99 HydrophobicContact CD1-CG 4.46Å; L4-L99 HydrophobicContact CD2-CD2 4.22Å; L4-L99 HydrophobicContact CD2-CG 4.09Å; F6-L99 HydrophobicContact CE1-CD1 3.83Å; F6-L99 HydrophobicContact CZ-CD1 4.19Å; L11-L99 HydrophobicContact CD1-CD2 3.93Å; V15-L99 HydrophobicContact CG1-CD2 4.18Å; F19-L99 HydrophobicContact CB-CB 3.86Å; F19-L99 VanDerWaalsContact CB-O 3.26Å; F19-L99 WeakPolarHBondContact CB-O 3.42Å; F19-L99 HydrophobicContact CD1-CB 4.05Å; F19-L99 HydrophobicContact CD1-CD1 4.18Å; F19-L99 HydrophobicContact CD2-CB 3.93Å; F19-L99 HydrophobicContact CD2-CD1 3.76Å; F19-L99 HydrophobicContact CD2-CD2 4.42Å; F19-L99 HydrophobicContact CD2-CG 4.24Å; F19-L99 HydrophobicContact CE1-CD1 3.98Å; F19-L99 HydrophobicContact CE2-CD1 3.53Å; F19-L99 HydrophobicContact CE2-CG 4.48Å; F19-L99 HydrophobicContact CG-CB 3.66Å; F19-L99 HydrophobicContact CG-CD1 4.1Å; F19-L99 HydrophobicContact CG-CG 4.42Å; F19-L99 HydrophobicContact CZ-CD1 3.66Å; V78-L99 HydrophobicContact CG2-CD1 3.73Å; D95-L99 VanDerWaalsContact O-CG 3.27Å; D95-L99 WeakPolarHBondContact O-CG 3.42Å; D95-L99 PolarHBondContact O-N 3.5Å; L96-L99 PolarHBondContact O-N 3.26Å; L97-L99 VanDerWaalsContact C-N 3.27Å; L97-L99 PolarHBondContact O-N 2.58Å
100G93.9Very high96.4Very high25 Ų2542.3 Ų42.326%0.25822%0.221SC..THydrogen-bonded Turntrans95.214.7175.800000114.8N23 L96 L97 T98N23-G100 PolarHBondContact ND2-O 3.02Å; L96-G100 PolarHBondContact O-N 3.15Å; L97-G100 PolarHBondContact O-N 2.86Å; T98-G100 PolarHBondContact O-N 3.33Å
101L96.3Very high96.5Very high6 Ų639.3 Ų39.33%0.03121%0.213CC..  trans-73.6143.3169.7-163.566.3000109.9F19 L22 F30 L96 K105 A106F19-L101 HydrophobicContact CD1-CB 4.44Å; L22-L101 HydrophobicContact CB-CD1 3.64Å; L22-L101 HydrophobicContact CD1-CD1 4.15Å; F30-L101 HydrophobicContact CE2-CD1 4.11Å; F30-L101 HydrophobicContact CE2-CD2 4.36Å; F30-L101 HydrophobicContact CZ-CD2 4.03Å; L96-L101 HydrophobicContact CB-CB 4.38Å; L96-L101 HydrophobicContact CB-CD2 4.21Å; L96-L101 HydrophobicContact CD2-CD2 4.17Å; L96-L101 VanDerWaalsContact O-CB 3.32Å; L96-L101 WeakPolarHBondContact O-CB 3.42Å; L96-L101 PolarHBondContact O-N 3.16Å; L101-K105 HydrophobicContact CD1-CB 3.94Å; L101-K105 HydrophobicContact CD1-CD 4.18Å; L101-K105 HydrophobicContact CD2-CB 3.9Å; L101-K105 HydrophobicContact CG-CB 3.77Å; L101-A106 HydrophobicContact CD2-CB 4.24Å
102N96.6Very high96.6Very high55 Ų5538 Ų3829%0.29421%0.207SC..  trans-68.7161.4176.574.923.6000112.2N23 E104 K105 A106N23-N102 PolarHBondContact OD1-N 3.44Å; N102-E104 PolarHBondContact O-N 3.28Å; N102-K105 PolarHBondContact O-N 2.99Å; N102-K105 WeakPolarHBondContact OD1-CB 3.41Å; N102-K105 WeakPolarHBondContact OD1-CG 3.49Å; N102-K105 PolarHBondContact OD1-N 3.41Å; N102-A106 VanDerWaalsContact O-CB 3.27Å; N102-A106 WeakPolarHBondContact O-CB 3.31Å; N102-A106 PolarHBondContact O-N 2.91Å
103D96.9Very high96.6Very high88 Ų8838.1 Ų38.147%0.47121%0.207SC..Hα-helixtrans-62.9-39.9-172.4-171.965.8000113.4K93 L97 A106 A107K93-D103 WeakPolarHBondContact CE-OD1 3.26Å; K93-D103 IonicContact NZ-OD1 3.14Å; K93-D103 PolarHBondContact NZ-OD1 3.31Å; K93-D103 IonicContact NZ-OD2 3.45Å; L97-D103 HydrophobicContact CD2-CB 4.31Å; D103-A106 PolarHBondContact O-N 3.37Å; D103-A107 VanDerWaalsContact O-CB 3.25Å; D103-A107 WeakPolarHBondContact O-CB 3.46Å; D103-A107 PolarHBondContact O-N 2.94Å
104E96.9Very high96.5Very high138 Ų13837.1 Ų37.165%0.64521%0.213SC*.Hα-helixtrans-63.3-47.3-180-67.3171.417100111.6N102 A107 H108N102-E104 PolarHBondContact O-N 3.28Å; E104-A107 PolarHBondContact O-N 3.09Å; E104-H108 PolarHBondContact O-N 3.28Å
105K98.1Very high96.4Very high5 Ų538.5 Ų38.52%0.02222%0.22CC..Hα-helixtrans-71-36.7178.3-70.4175.5177.4171.40112.2L22 N23 F25 F30 L101 N102 A107 H108 F109L22-K105 PolarHBondContact O-NZ 3.33Å; N23-K105 VanDerWaalsContact C-NZ 3.3Å; N23-K105 VanDerWaalsContact CA-NZ 3.32Å; N23-K105 PolarHBondContact O-NZ 3.47Å; F25-K105 PolarHBondContact O-NZ 2.98Å; F30-K105 HydrophobicContact CB-CD 4.38Å; F30-K105 HydrophobicContact CD1-CB 4.01Å; F30-K105 HydrophobicContact CD1-CD 4.27Å; F30-K105 HydrophobicContact CD1-CG 3.72Å; F30-K105 HydrophobicContact CD2-CB 4.4Å; F30-K105 HydrophobicContact CD2-CD 3.8Å; F30-K105 HydrophobicContact CD2-CG 4.13Å; F30-K105 HydrophobicContact CE1-CB 3.6Å; F30-K105 HydrophobicContact CE1-CG 3.88Å; F30-K105 WeakPolarHBondContact CE1-O 3.33Å; F30-K105 HydrophobicContact CE2-CB 4.04Å; F30-K105 HydrophobicContact CE2-CD 4.13Å; F30-K105 HydrophobicContact CE2-CG 4.28Å; F30-K105 HydrophobicContact CG-CB 4.39Å; F30-K105 HydrophobicContact CG-CD 3.88Å; F30-K105 HydrophobicContact CG-CG 3.85Å; F30-K105 HydrophobicContact CZ-CB 3.63Å; F30-K105 HydrophobicContact CZ-CG 4.16Å; L101-K105 HydrophobicContact CD1-CB 3.94Å; L101-K105 HydrophobicContact CD1-CD 4.18Å; L101-K105 HydrophobicContact CD2-CB 3.9Å; L101-K105 HydrophobicContact CG-CB 3.77Å; N102-K105 PolarHBondContact O-N 2.99Å; N102-K105 WeakPolarHBondContact OD1-CB 3.41Å; N102-K105 WeakPolarHBondContact OD1-CG 3.49Å; N102-K105 PolarHBondContact OD1-N 3.41Å; K105-A107 VanDerWaalsContact C-N 3.34Å; K105-H108 PolarHBondContact O-N 3.13Å; K105-F109 WeakPolarHBondContact O-CB 3.44Å; K105-F109 PolarHBondContact O-N 3.01Å
106A97.9Very high96.4Very high0 Ų040.4 Ų40.40%023%0.228CC..Hα-helixtrans-63.7-41.2173.200000111.4K93 L96 L97 L101 N102 D103 S110K93-A106 HydrophobicContact CG-CB 4.16Å; L96-A106 HydrophobicContact CB-CB 3.93Å; L96-A106 HydrophobicContact CD1-CB 4.46Å; L97-A106 HydrophobicContact CD2-CB 3.97Å; L97-A106 HydrophobicContact CG-CB 4.15Å; L101-A106 HydrophobicContact CD2-CB 4.24Å; N102-A106 VanDerWaalsContact O-CB 3.27Å; N102-A106 WeakPolarHBondContact O-CB 3.31Å; N102-A106 PolarHBondContact O-N 2.91Å; D103-A106 PolarHBondContact O-N 3.37Å; A106-S110 VanDerWaalsContact O-CB 3.28Å; A106-S110 WeakPolarHBondContact O-CB 3.42Å; A106-S110 PolarHBondContact O-N 3.43Å; A106-S110 PolarHBondContact O-OG 3.24Å
107A97.9Very high96.1Very high36 Ų3643.7 Ų43.730%0.29824%0.241SC..Hα-helixtrans-63.7-43.4173.700000111.6D103 E104 K105 S110 S111D103-A107 VanDerWaalsContact O-CB 3.25Å; D103-A107 WeakPolarHBondContact O-CB 3.46Å; D103-A107 PolarHBondContact O-N 2.94Å; E104-A107 PolarHBondContact O-N 3.09Å; K105-A107 VanDerWaalsContact C-N 3.34Å; A107-S110 WeakPolarHBondContact CA-OG 3.39Å; A107-S110 PolarHBondContact O-OG 3.41Å; A107-S110 VanDerWaalsContact O-OG 3.07Å; A107-S111 WeakPolarHBondContact O-CB 3.21Å; A107-S111 PolarHBondContact O-N 3.06Å
108H98Very high95.7Very high60 Ų6042.9 Ų42.928%0.27825%0.245SC..Hα-helixtrans-61.6-50.2176.6-177.379.5000112.1F30 E104 K105 S110 S111 Q112F30-H108 HydrophobicContact CE1-CB 4.29Å; F30-H108 AromaticContact CE1-CD2 3.85Å; E104-H108 PolarHBondContact O-N 3.28Å; K105-H108 PolarHBondContact O-N 3.13Å; H108-S110 PolarHBondContact O-N 3.4Å; H108-S111 WeakPolarHBondContact O-CB 3.2Å; H108-S111 PolarHBondContact O-N 2.74Å; H108-Q112 PolarHBondContact O-N 2.77Å
109F98.3Very high95.6Very high2 Ų241.8 Ų41.81%0.00924%0.24CC..Hα-helixtrans-60.3-47.9178.8-172.4-69.5000111.8F30 I34 L37 F38 V75 V78 P79 V92 L96 K105 S111 Q112 W113F30-F109 HydrophobicContact CZ-CB 4.48Å; I34-F109 HydrophobicContact CD1-CD2 3.53Å; I34-F109 HydrophobicContact CD1-CE2 3.88Å; I34-F109 HydrophobicContact CG1-CD2 4.15Å; I34-F109 HydrophobicContact CG2-CD2 4.35Å; L37-F109 HydrophobicContact CD2-CE2 3.62Å; L37-F109 HydrophobicContact CD2-CZ 4Å; F38-F109 HydrophobicContact CE2-CE1 4.4Å; F38-F109 HydrophobicContact CE2-CE2 4.45Å; F38-F109 HydrophobicContact CE2-CZ 4.27Å; F38-F109 HydrophobicContact CZ-CE1 4.26Å; F38-F109 HydrophobicContact CZ-CZ 4.41Å; V75-F109 HydrophobicContact CG1-CE2 3.86Å; V78-F109 HydrophobicContact CG1-CE1 4.33Å; P79-F109 HydrophobicContact CG-CZ 4.38Å; V92-F109 HydrophobicContact CG1-CD1 4.03Å; V92-F109 HydrophobicContact CG1-CE1 4.09Å; L96-F109 HydrophobicContact CD1-CB 3.68Å; L96-F109 HydrophobicContact CD1-CD1 3.51Å; L96-F109 HydrophobicContact CD1-CE1 4.35Å; L96-F109 HydrophobicContact CD1-CG 3.67Å; L96-F109 HydrophobicContact CD2-CD1 4.46Å; L96-F109 HydrophobicContact CD2-CG 4.44Å; K105-F109 WeakPolarHBondContact O-CB 3.44Å; K105-F109 PolarHBondContact O-N 3.01Å; F109-S111 VanDerWaalsContact C-N 3.29Å; F109-S111 PolarHBondContact O-N 2.95Å; F109-Q112 WeakPolarHBondContact O-CB 3.42Å; F109-Q112 PolarHBondContact O-N 3.42Å; F109-Q112 VanDerWaalsContact O-N 3.15Å; F109-W113 PolarHBondContact O-N 3.46Å
110S97.4Very high95.4Very high5 Ų541.4 Ų41.44%0.03524%0.238CC..Hα-helixtrans-66-32.2-178.858.40000112.2T89 A106 A107 H108 W113 G114T89-S110 WeakPolarHBondContact CG2-O 3.22Å; T89-S110 WeakPolarHBondContact O-CB 3.38Å; A106-S110 VanDerWaalsContact O-CB 3.28Å; A106-S110 WeakPolarHBondContact O-CB 3.42Å; A106-S110 PolarHBondContact O-N 3.43Å; A106-S110 PolarHBondContact O-OG 3.24Å; A107-S110 WeakPolarHBondContact CA-OG 3.39Å; A107-S110 PolarHBondContact O-OG 3.41Å; A107-S110 VanDerWaalsContact O-OG 3.07Å; H108-S110 PolarHBondContact O-N 3.4Å; S110-W113 WeakPolarHBondContact O-CB 3.44Å; S110-W113 PolarHBondContact O-N 3.02Å; S110-G114 PolarHBondContact O-N 3.42Å
111S97.4Very high95.1Very high57 Ų5741.8 Ų41.840%0.39924%0.237SC..Hα-helixtrans-62.8-46.7169.7-173.90000111.8A107 H108 F109 W113 G114 Q115A107-S111 WeakPolarHBondContact O-CB 3.21Å; A107-S111 PolarHBondContact O-N 3.06Å; H108-S111 WeakPolarHBondContact O-CB 3.2Å; H108-S111 PolarHBondContact O-N 2.74Å; F109-S111 VanDerWaalsContact C-N 3.29Å; F109-S111 PolarHBondContact O-N 2.95Å; S111-W113 VanDerWaalsContact C-N 3.3Å; S111-W113 PolarHBondContact O-N 3.24Å; S111-G114 PolarHBondContact O-N 2.81Å; S111-Q115 WeakPolarHBondContact O-CG 3.25Å; S111-Q115 PolarHBondContact O-N 2.93Å
112Q97.6Very high94.5Very high34 Ų3449.5 Ų49.516%0.15927%0.266CS..Hα-helixtrans-60.4-41174.9-69.2-58.1-65.800111.8I34 F38 H108 F109 Q115 H116I34-Q112 HydrophobicContact CG2-CB 4.08Å; I34-Q112 HydrophobicContact CG2-CG 3.86Å; F38-Q112 HydrophobicContact CD2-CB 3.81Å; F38-Q112 HydrophobicContact CE2-CB 3.49Å; F38-Q112 VanDerWaalsContact CE2-CB 3.49Å; F38-Q112 HydrophobicContact CG-CB 4.47Å; F38-Q112 HydrophobicContact CZ-CB 3.9Å; H108-Q112 PolarHBondContact O-N 2.77Å; F109-Q112 WeakPolarHBondContact O-CB 3.42Å; F109-Q112 PolarHBondContact O-N 3.42Å; F109-Q112 VanDerWaalsContact O-N 3.15Å; Q112-Q115 PolarHBondContact O-N 2.95Å; Q112-H116 WeakPolarHBondContact O-CB 3.14Å; Q112-H116 PolarHBondContact O-N 2.78Å; Q112-H116 PolarHBondContact O-ND1 3.3Å; Q112-H116 PolarHBondContact OE1-CE1 3.27Å
113W96.9Very high93.9Very high3 Ų350 Ų501%0.01127%0.268CS..Hα-helixtrans-55.8-52.8172.3173.9-104.7000111.9F38 P79 A82 L83 L87 V92 F109 S110 S111 Q115 H116 Y117 L120F38-W113 HydrophobicContact CE1-CE3 4.29Å; F38-W113 HydrophobicContact CZ-CB 4.12Å; F38-W113 HydrophobicContact CZ-CE3 4.47Å; P79-W113 HydrophobicContact CB-CE3 4.23Å; P79-W113 HydrophobicContact CB-CZ3 3.91Å; A82-W113 HydrophobicContact CB-CH2 3.69Å; A82-W113 HydrophobicContact CB-CZ2 3.59Å; A82-W113 HydrophobicContact CB-CZ3 4.25Å; L83-W113 HydrophobicContact CB-CH2 3.9Å; L83-W113 HydrophobicContact CD1-CH2 4.11Å; L87-W113 PolarHBondContact O-NE1 2.87Å; L87-W113 VanDerWaalsContact O-NE1 3.13Å; V92-W113 HydrophobicContact CG1-CB 4.46Å; V92-W113 HydrophobicContact CG1-CG 4.39Å; V92-W113 HydrophobicContact CG2-CD2 4.28Å; V92-W113 HydrophobicContact CG2-CG 4.11Å; F109-W113 PolarHBondContact O-N 3.46Å; S110-W113 WeakPolarHBondContact O-CB 3.44Å; S110-W113 PolarHBondContact O-N 3.02Å; S111-W113 VanDerWaalsContact C-N 3.3Å; S111-W113 PolarHBondContact O-N 3.24Å; W113-Q115 VanDerWaalsContact C-N 3.32Å; W113-Q115 PolarHBondContact O-N 3.37Å; W113-H116 PolarHBondContact O-N 3.27Å; W113-H116 VanDerWaalsContact O-N 3.16Å; W113-Y117 AromaticContact CE2-CD2 3.78Å; W113-Y117 AromaticContact CH2-CD2 3.99Å; W113-Y117 HydrophobicContact CH2-CD2 3.99Å; W113-Y117 HydrophobicContact CH2-CE2 4.45Å; W113-Y117 AromaticContact CZ2-CD2 3.4Å; W113-Y117 HydrophobicContact CZ2-CD2 3.4Å; W113-Y117 AromaticContact CZ2-CE2 3.81Å; W113-Y117 HydrophobicContact CZ2-CE2 3.81Å; W113-Y117 WeakPolarHBondContact O-CA 3.43Å; W113-Y117 VanDerWaalsContact O-CB 3.29Å; W113-Y117 WeakPolarHBondContact O-CB 3.4Å; W113-Y117 PolarHBondContact O-N 3.06Å; W113-L120 HydrophobicContact CE3-CD1 4.24Å; W113-L120 HydrophobicContact CZ3-CD1 3.93Å
114G93.6Very high92.8Very high36 Ų3647 Ų4737%0.37126%0.256SS..Hα-helixtrans-59.8-40.3-179.600000113.2T89 S110 S111 H116T89-G114 WeakPolarHBondContact OG1-CA 3.26Å; S110-G114 PolarHBondContact O-N 3.42Å; S111-G114 PolarHBondContact O-N 2.81Å; G114-H116 VanDerWaalsContact C-N 3.34Å; G114-H116 PolarHBondContact O-N 3.32Å
115Q95.3Very high91.4Very high125 Ų12543.9 Ų43.958%0.58425%0.246SC*.Hα-helixtrans-64.2-37.8177-70.8174.59.400112.6S111 Q112 W113S111-Q115 WeakPolarHBondContact O-CG 3.25Å; S111-Q115 PolarHBondContact O-N 2.93Å; Q112-Q115 PolarHBondContact O-N 2.95Å; W113-Q115 VanDerWaalsContact C-N 3.32Å; W113-Q115 PolarHBondContact O-N 3.37Å
116H94.6Very high89.6Confident41 Ų4145.3 Ų45.319%0.1926%0.262CS..Hα-helixtrans-98.1-13.5-172.6-66.270.6000113.4F38 Q112 W113 G114 A118 A119 L120F38-H116 HydrophobicContact CD1-CB 3.7Å; F38-H116 AromaticContact CD1-CG 3.72Å; F38-H116 HydrophobicContact CE1-CB 3.95Å; Q112-H116 WeakPolarHBondContact O-CB 3.14Å; Q112-H116 PolarHBondContact O-N 2.78Å; Q112-H116 PolarHBondContact O-ND1 3.3Å; Q112-H116 PolarHBondContact OE1-CE1 3.27Å; W113-H116 PolarHBondContact O-N 3.27Å; W113-H116 VanDerWaalsContact O-N 3.16Å; G114-H116 VanDerWaalsContact C-N 3.34Å; G114-H116 PolarHBondContact O-N 3.32Å; H116-A118 VanDerWaalsContact C-N 3.33Å; H116-A118 PolarHBondContact O-N 3.39Å; H116-A119 PolarHBondContact O-N 3.2Å; H116-L120 HydrophobicContact CB-CD1 4Å; H116-L120 HydrophobicContact CB-CG 4.28Å; H116-L120 WeakPolarHBondContact O-CG 3.3Å; H116-L120 PolarHBondContact O-N 3.31Å
117Y90.9Very high87.7Confident69 Ų6950.4 Ų50.427%0.27129%0.286SS..Hα-helixtrans-52.9-46.1-173175.9-109.9000113L83 W113 A119 L120 S121L83-Y117 HydrophobicContact CD1-CE2 4.37Å; W113-Y117 AromaticContact CE2-CD2 3.78Å; W113-Y117 AromaticContact CH2-CD2 3.99Å; W113-Y117 HydrophobicContact CH2-CD2 3.99Å; W113-Y117 HydrophobicContact CH2-CE2 4.45Å; W113-Y117 AromaticContact CZ2-CD2 3.4Å; W113-Y117 HydrophobicContact CZ2-CD2 3.4Å; W113-Y117 AromaticContact CZ2-CE2 3.81Å; W113-Y117 HydrophobicContact CZ2-CE2 3.81Å; W113-Y117 WeakPolarHBondContact O-CA 3.43Å; W113-Y117 VanDerWaalsContact O-CB 3.29Å; W113-Y117 WeakPolarHBondContact O-CB 3.4Å; W113-Y117 PolarHBondContact O-N 3.06Å; Y117-A119 VanDerWaalsContact C-N 3.33Å; Y117-A119 PolarHBondContact O-N 3.41Å; Y117-L120 PolarHBondContact O-N 2.83Å; Y117-S121 WeakPolarHBondContact O-CB 3.27Å; Y117-S121 PolarHBondContact O-N 2.84Å
118A88.4Confident85.4Confident52 Ų5253.3 Ų53.343%0.4330%0.301SS..Hα-helixtrans-62.3-39.7-179.700000112.4H116 R122H116-A118 VanDerWaalsContact C-N 3.33Å; H116-A118 PolarHBondContact O-N 3.39Å; A118-R122 WeakPolarHBondContact O-CG 3.44Å; A118-R122 PolarHBondContact O-N 2.94Å; A118-R122 PolarHBondContact O-NH1 3.03Å
119A90.6Very high82.9Confident27 Ų2755.9 Ų55.922%0.22332%0.316CS..Hα-helixtrans-70.3-45.8176.800000111.4L42 H116 Y117 S121 R122 L123L42-A119 HydrophobicContact CD2-CB 3.77Å; H116-A119 PolarHBondContact O-N 3.2Å; Y117-A119 VanDerWaalsContact C-N 3.33Å; Y117-A119 PolarHBondContact O-N 3.41Å; A119-S121 VanDerWaalsContact C-N 3.35Å; A119-S121 PolarHBondContact O-N 2.85Å; A119-R122 PolarHBondContact O-N 2.92Å; A119-L123 WeakPolarHBondContact O-CG 3.39Å; A119-L123 PolarHBondContact O-N 3.2Å
120L90.1Very high80.5Confident6 Ų660.8 Ų60.83%0.03134%0.34CS..Hα-helixtrans-62.8-40178-66.3174.5000112.2F38 L41 L42 L83 W113 H116 Y117 L123 A124F38-L120 HydrophobicContact CD1-CD1 4.19Å; F38-L120 HydrophobicContact CE1-CD1 4.02Å; L41-L120 HydrophobicContact CB-CD2 3.68Å; L41-L120 WeakPolarHBondContact O-CD2 3.23Å; L42-L120 HydrophobicContact CD2-CD2 3.95Å; L42-L120 HydrophobicContact CD2-CG 4.36Å; L42-L120 HydrophobicContact CG-CD2 4.42Å; L83-L120 HydrophobicContact CD1-CB 4.17Å; L83-L120 HydrophobicContact CD2-CB 4.38Å; W113-L120 HydrophobicContact CE3-CD1 4.24Å; W113-L120 HydrophobicContact CZ3-CD1 3.93Å; H116-L120 HydrophobicContact CB-CD1 4Å; H116-L120 HydrophobicContact CB-CG 4.28Å; H116-L120 WeakPolarHBondContact O-CG 3.3Å; H116-L120 PolarHBondContact O-N 3.31Å; Y117-L120 PolarHBondContact O-N 2.83Å; L120-L123 PolarHBondContact O-N 3.39Å; L120-A124 WeakPolarHBondContact O-CB 3.19Å; L120-A124 PolarHBondContact O-N 2.69Å
121S86.5Confident78.4Confident33 Ų3365 Ų6523%0.23137%0.365CS..Hα-helixtrans-62.1-46.9175-176.20000111Y117 A119 L123 A124 V125Y117-S121 WeakPolarHBondContact O-CB 3.27Å; Y117-S121 PolarHBondContact O-N 2.84Å; A119-S121 VanDerWaalsContact C-N 3.35Å; A119-S121 PolarHBondContact O-N 2.85Å; S121-L123 VanDerWaalsContact C-N 3.34Å; S121-L123 PolarHBondContact O-N 3.33Å; S121-A124 PolarHBondContact O-N 3.44Å; S121-V125 WeakPolarHBondContact O-CB 3.07Å; S121-V125 VanDerWaalsContact O-CG2 3.26Å; S121-V125 WeakPolarHBondContact O-CG2 3.48Å; S121-V125 PolarHBondContact O-N 3.02Å
122R85.2Confident76.5Confident168 Ų16866.2 Ų66.263%0.63437%0.367SS*.Hα-helixtrans-60.3-41.1174-74.4-171.9-59.3-93.62.7112.6A118 A119 V125 G126A118-R122 WeakPolarHBondContact O-CG 3.44Å; A118-R122 PolarHBondContact O-N 2.94Å; A118-R122 PolarHBondContact O-NH1 3.03Å; A119-R122 PolarHBondContact O-N 2.92Å; R122-V125 PolarHBondContact O-N 3.02Å; R122-G126 PolarHBondContact O-N 2.93Å
123L83.5Confident75Confident64 Ų6467.7 Ų67.734%0.33537%0.374SS..Hα-helixtrans-65.5-44.3177.5-72.3170.1000111.8L42 A119 L120 S121 G126 Q127L42-L123 HydrophobicContact CD2-CD1 4.07Å; L42-L123 VanDerWaalsContact O-CD1 3.23Å; L42-L123 WeakPolarHBondContact O-CD1 3.41Å; A119-L123 WeakPolarHBondContact O-CG 3.39Å; A119-L123 PolarHBondContact O-N 3.2Å; L120-L123 PolarHBondContact O-N 3.39Å; S121-L123 VanDerWaalsContact C-N 3.34Å; S121-L123 PolarHBondContact O-N 3.33Å; L123-G126 PolarHBondContact O-N 2.81Å; L123-Q127 WeakPolarHBondContact O-CG 2.97Å; L123-Q127 PolarHBondContact O-N 3.23Å
124A74.2Confident73.8Confident27 Ų2772.1 Ų72.122%0.22340%0.398CS..Hα-helixtrans-64.9-39.5176.100000112.2L83 L120 S121 Q127 T128L83-A124 HydrophobicContact CD2-CB 3.62Å; L83-A124 HydrophobicContact CG-CB 4.05Å; L120-A124 WeakPolarHBondContact O-CB 3.19Å; L120-A124 PolarHBondContact O-N 2.69Å; S121-A124 PolarHBondContact O-N 3.44Å; A124-Q127 PolarHBondContact O-N 3.12Å; A124-T128 VanDerWaalsContact O-CB 3.23Å; A124-T128 WeakPolarHBondContact O-CB 2.94Å; A124-T128 PolarHBondContact O-N 3.39Å; A124-T128 PolarHBondContact O-OG1 3.2Å
125V68Low73.4Confident71 Ų7173.5 Ų73.543%0.4340%0.398SS..Hα-helixtrans-63.5-44.4171.9170.70000110.4S121 R122 Q127 T128 L129S121-V125 WeakPolarHBondContact O-CB 3.07Å; S121-V125 VanDerWaalsContact O-CG2 3.26Å; S121-V125 WeakPolarHBondContact O-CG2 3.48Å; S121-V125 PolarHBondContact O-N 3.02Å; R122-V125 PolarHBondContact O-N 3.02Å; V125-Q127 PolarHBondContact O-N 3.1Å; V125-T128 PolarHBondContact O-N 3.14Å; V125-L129 HydrophobicContact CG1-CD1 3.38Å; V125-L129 HydrophobicContact CG1-CG 3.9Å; V125-L129 WeakPolarHBondContact O-CB 3.3Å; V125-L129 WeakPolarHBondContact O-CG 3.11Å; V125-L129 PolarHBondContact O-N 3.43Å
126G60.1Low72.9Confident36 Ų3671.7 Ų71.737%0.37139%0.393SS..Hα-helixtrans-58.8-43.6174.900000112.7R122 L123 M130R122-G126 PolarHBondContact O-N 2.93Å; L123-G126 PolarHBondContact O-N 2.81Å; G126-M130 WeakPolarHBondContact O-CG 3.49Å; G126-M130 PolarHBondContact O-N 3.27Å
127Q56.8Low72.5Confident106 Ų10673.3 Ų73.350%0.49540%0.401SS..Hα-helixtrans-72.8-31.8177.6-69.8-179.51700113.2L123 A124 V125L123-Q127 WeakPolarHBondContact O-CG 2.97Å; L123-Q127 PolarHBondContact O-N 3.23Å; A124-Q127 PolarHBondContact O-N 3.12Å; V125-Q127 PolarHBondContact O-N 3.1Å
128T49.7Very low72.4Confident98 Ų9874.1 Ų74.160%0.60141%0.408SS*.Hα-helixtrans-80.6-39.1179.1-53.70000111.7A124 V125 M130 V131A124-T128 VanDerWaalsContact O-CB 3.23Å; A124-T128 WeakPolarHBondContact O-CB 2.94Å; A124-T128 PolarHBondContact O-N 3.39Å; A124-T128 PolarHBondContact O-OG1 3.2Å; V125-T128 PolarHBondContact O-N 3.14Å; T128-M130 PolarHBondContact O-N 2.68Å; T128-V131 WeakPolarHBondContact O-CB 3.42Å; T128-V131 PolarHBondContact O-N 3.16Å
129L45.4Very low72.2Confident114 Ų11479.6 Ų79.660%0.59742%0.417SS*.Hα-helixtrans-68-13.7172.8-70.4174.3000112.6V125 V131 Q133V125-L129 HydrophobicContact CG1-CD1 3.38Å; V125-L129 HydrophobicContact CG1-CG 3.9Å; V125-L129 WeakPolarHBondContact O-CB 3.3Å; V125-L129 WeakPolarHBondContact O-CG 3.11Å; V125-L129 PolarHBondContact O-N 3.43Å; L129-V131 PolarHBondContact O-N 3.49Å; L129-Q133 WeakPolarHBondContact O-CG 3.39Å
130M48.9Very low72Confident104 Ų10485.1 Ų85.151%0.51244%0.436SS..THydrogen-bonded Turntrans-72.2-7.3168.1-76.2176.197.300113.2G126 T128G126-M130 WeakPolarHBondContact O-CG 3.49Å; G126-M130 PolarHBondContact O-N 3.27Å; T128-M130 PolarHBondContact O-N 2.68Å
131V52Low71.6Confident93 Ų9390.2 Ų90.256%0.56446%0.458SS*.EExtended strand (participates in β ladder)trans-94.1103.3171.2-174.30000108.1T128 L129T128-V131 WeakPolarHBondContact O-CB 3.42Å; T128-V131 PolarHBondContact O-N 3.16Å; L129-V131 PolarHBondContact O-N 3.49Å
132N57.3Low71.3Confident83 Ų8389.3 Ų89.344%0.44445%0.454SS..EExtended strand (participates in β ladder)trans81.842.5-178-46.9-55.9000116.1L134 V164 R165 K166N132-L134 PolarHBondContact O-N 3.42Å; N132-V164 HydrophobicContact CB-CG1 3.54Å; N132-R165 CarbonylContact C-O 3.54Å; N132-R165 WeakPolarHBondContact CA-O 3.19Å; N132-R165 PolarHBondContact N-O 3.31Å; N132-K166 WeakPolarHBondContact OD1-CD 3.4Å; N132-K166 WeakPolarHBondContact OD1-CE 3.2Å; N132-K166 WeakPolarHBondContact OD1-CG 3.03Å
133Q67.3Low70.8Confident66 Ų6685.3 Ų85.331%0.30845%0.448SS..EExtended strand (participates in β ladder)trans-63.4121.9171.6-67.5-177.3-25.200110.1L129 V135 V164 R165L129-Q133 WeakPolarHBondContact O-CG 3.39Å; Q133-V135 HydrophobicContact CB-CG1 4.16Å; Q133-V135 PolarHBondContact O-N 2.81Å; Q133-V135 VanDerWaalsContact O-N 3.11Å; Q133-V164 CarbonylContact O-C 3.59Å; Q133-V164 VanDerWaalsContact O-CA 3.31Å; Q133-V164 WeakPolarHBondContact O-CA 3.31Å; Q133-R165 HydrophobicContact CB-CB 4.27Å; Q133-R165 PolarHBondContact N-O 2.78Å; Q133-R165 VanDerWaalsContact N-O 3.14Å; Q133-R165 PolarHBondContact O-N 2.84Å
134L71.8Confident70.1Confident96 Ų9686 Ų8650%0.50346%0.455SS..EExtended strand (participates in β ladder)trans-68106.8165.1-178.167.4000107.8N132 D136 L162 V164N132-L134 PolarHBondContact O-N 3.42Å; L134-D136 VanDerWaalsContact CD1-O 3.29Å; L134-D136 WeakPolarHBondContact CD1-O 3.45Å; L134-L162 HydrophobicContact CD1-CB 3.63Å; L134-L162 HydrophobicContact CD1-CD2 3.69Å; L134-L162 HydrophobicContact CD1-CG 4.16Å; L134-L162 HydrophobicContact CD2-CD2 4.26Å; L134-V164 HydrophobicContact CD1-CG2 4.34Å
135V84.6Confident69.5Low64 Ų6490.3 Ų90.339%0.38848%0.478SS..EExtended strand (participates in β ladder)trans-98.1-24-176.7-670000112.8Q133 V163 R165 T170Q133-V135 HydrophobicContact CB-CG1 4.16Å; Q133-V135 PolarHBondContact O-N 2.81Å; Q133-V135 VanDerWaalsContact O-N 3.11Å; V135-V163 HydrophobicContact CG2-CB 4.03Å; V135-V163 HydrophobicContact CG2-CG1 3.59Å; V135-V163 WeakPolarHBondContact CG2-O 3.17Å; V135-V163 PolarHBondContact N-O 3.11Å; V135-R165 HydrophobicContact CG1-CB 3.79Å; V135-T170 HydrophobicContact CG2-CG2 4.2Å
136D85Confident69Low87 Ų8789.3 Ų89.347%0.46548%0.483SS..EExtended strand (participates in β ladder)trans-155.3157.4176.7-16611.9000110.5L134 V163L134-D136 VanDerWaalsContact CD1-O 3.29Å; L134-D136 WeakPolarHBondContact CD1-O 3.45Å; D136-V163 HydrophobicContact CB-CB 3.74Å; D136-V163 HydrophobicContact CB-CG1 4.38Å; D136-V163 HydrophobicContact CB-CG2 3.81Å; D136-V163 PolarHBondContact N-O 3.19Å; D136-V163 PolarHBondContact O-N 3.14Å
137M85.9Confident68.8Low75 Ų7594.4 Ų94.437%0.36951%0.507SS..EExtended strand (participates in β ladder)trans-142.8118.2177178.1177.477.300110.1L160 K161 L162M137-L160 HydrophobicContact CG-CD2 4.19Å; M137-L160 HydrophobicContact SD-CD2 3.98Å; M137-K161 WeakPolarHBondContact CA-O 3.48Å; M137-L162 HydrophobicContact CB-CD2 4.21Å; M137-L162 HydrophobicContact CG-CD2 3.78Å; M137-L162 HydrophobicContact SD-CD2 3.94Å
138E88.3Confident68.7Low87 Ų8793.6 Ų93.641%0.40751%0.513SS..EExtended strand (participates in β ladder)trans-104.1144.6170-64.2169.3-149.400109.7L160 K161E138-L160 WeakPolarHBondContact O-CA 3.4Å; E138-K161 HydrophobicContact CB-CB 4.22Å; E138-K161 HydrophobicContact CB-CD 4.38Å; E138-K161 VanDerWaalsContact CD-NZ 3.32Å; E138-K161 PolarHBondContact N-O 3.39Å; E138-K161 PolarHBondContact O-N 3.26Å; E138-K161 IonicContact OE1-NZ 3.96Å; E138-K161 PolarHBondContact OE1-NZ 3Å; E138-K161 WeakPolarHBondContact OE2-CD 3.38Å; E138-K161 IonicContact OE2-NZ 3.41Å; E138-K161 PolarHBondContact OE2-NZ 2.77Å
139W84.4Confident68.8Low166 Ų16698.3 Ų98.363%0.62953%0.528SS*.EExtended strand (participates in β ladder)trans-135.3149176.965-92.8000111.8F141 L158 Q159 L160W139-F141 HydrophobicContact CE3-CB 4.36Å; W139-F141 HydrophobicContact CZ3-CB 3.96Å; W139-L158 HydrophobicContact CB-CD1 4.31Å; W139-L158 HydrophobicContact CE3-CD1 3.9Å; W139-Q159 CarbonylContact C-O 3.56Å; W139-Q159 VanDerWaalsContact CA-O 3.3Å; W139-Q159 WeakPolarHBondContact CA-O 3.23Å; W139-L160 HydrophobicContact CB-CD2 3.6Å
140K86.4Confident69.2Low144 Ų144100.5 Ų100.563%0.62654%0.539SS*.EExtended strand (participates in β ladder)trans-134.8128.3174.3-66.7-178.1-178.2176.90109.7Q159K140-Q159 HydrophobicContact CB-CB 4.41Å; K140-Q159 PolarHBondContact N-O 3Å; K140-Q159 PolarHBondContact O-N 2.91Å
141F81.6Confident69.1Low112 Ų112103.7 Ų103.749%0.49155%0.552SS.*EExtended strand (participates in β ladder)trans-98120.8177.3-173.7-97.9000110W139 V143 I156 L158W139-F141 HydrophobicContact CE3-CB 4.36Å; W139-F141 HydrophobicContact CZ3-CB 3.96Å; F141-V143 HydrophobicContact CD1-CG2 4.09Å; F141-V143 HydrophobicContact CE1-CG2 3.51Å; F141-V143 HydrophobicContact CZ-CG2 4.33Å; F141-I156 HydrophobicContact CE1-CG2 4.23Å; F141-I156 HydrophobicContact CE2-CG2 3.53Å; F141-I156 HydrophobicContact CZ-CG2 3.33Å; F141-L158 HydrophobicContact CB-CD1 4.36Å; F141-L158 HydrophobicContact CD2-CD1 4.29Å
142G81.3Confident69.1Low14 Ų14108.5 Ų108.514%0.14457%0.566CS.*EExtended strand (participates in β ladder)trans-111.1136.3-178.200000112I156 F157G142-I156 WeakPolarHBondContact O-CA 3.41Å; G142-F157 PolarHBondContact N-O 3.28Å; G142-F157 PolarHBondContact O-N 3.45Å
143V74.8Confident68.8Low84 Ų84110 Ų11051%0.50958%0.578SS.*EExtended strand (participates in β ladder)trans-125.6113.2170.2-176.90000108.1F141 I156F141-V143 HydrophobicContact CD1-CG2 4.09Å; F141-V143 HydrophobicContact CE1-CG2 3.51Å; F141-V143 HydrophobicContact CZ-CG2 4.33Å; V143-I156 HydrophobicContact CG2-CG1 4.44Å
144T69.2Low68.3Low78 Ų78108.3 Ų108.348%0.47958%0.577SS.*PPolyproline II helixtrans-89.3118.2172.7-56.70000108.9G154 N155T144-G154 CarbonylContact O-C 3.57Å; T144-G154 WeakPolarHBondContact O-CA 3.29Å; T144-N155 PolarHBondContact N-O 3.44Å; T144-N155 PolarHBondContact O-N 3.22Å
145V60.1Low67.9Low118 Ų118109.2 Ų109.272%0.71558%0.583SS**PPolyproline II helixtrans-86.9116.9177.7-159.20000109.1
146G58Low67.3Low50 Ų50109.3 Ų109.352%0.51558%0.581SS.*PPolyproline II helixtrans-77.4128.5172.100000111
147T55.4Low67.2Low144 Ų144107.4 Ų107.488%0.88357%0.568SS**  trans-93.59.4-17550.30000114.9
148S54.5Low67.1Low88 Ų88104.3 Ų104.362%0.61555%0.553SS**SBendtrans-121131.3-176.324.70000112.7I150S148-I150 PolarHBondContact O-N 2.86Å
149E53.7Low67Low197 Ų197104.3 Ų104.392%0.92155%0.553SS**THydrogen-bonded Turntrans-63.70.3-171.8-71.8-176.3144.600116
150I52.5Low67.1Low161 Ų16196.8 Ų96.883%0.82653%0.525SS*.THydrogen-bonded Turntrans-104.1-15.5-171.8-65.7169.8000113.3S148S148-I150 PolarHBondContact O-N 2.86Å
151Q46.7Very low67.3Low170 Ų17092 Ų9279%0.79450%0.504SS*.  trans-144.884.3170.5-76.8-177.7-7.900110.9V153Q151-V153 VanDerWaalsContact C-N 3.32Å; Q151-V153 PolarHBondContact O-N 3.21Å
152K51.6Low67.6Low195 Ų19588.1 Ų88.185%0.84849%0.488SS*.  trans-72.683.1168.7-87.6-177.3174.5174.50110.4
153V52.3Low67.9Low115 Ų11588.2 Ų88.270%0.69749%0.486SS*.  trans-142.2106147-172.10000106.7Q151 N155Q151-V153 VanDerWaalsContact C-N 3.32Å; Q151-V153 PolarHBondContact O-N 3.21Å; V153-N155 PolarHBondContact O-N 3Å
154G55.3Low68.4Low29 Ų2985 Ų8530%0.29947%0.467SS..  trans-62.8126.9164.800000108.6T144 I156T144-G154 CarbonylContact O-C 3.57Å; T144-G154 WeakPolarHBondContact O-CA 3.29Å; G154-I156 PolarHBondContact O-N 3.27Å
155N63.7Low68.7Low116 Ų11686.6 Ų86.662%0.6246%0.464SS*.  trans-73.5114.4-179.7-76-26.6000108.7T144 V153T144-N155 PolarHBondContact N-O 3.44Å; T144-N155 PolarHBondContact O-N 3.22Å; V153-N155 PolarHBondContact O-N 3Å
156I73.6Confident69.3Low66 Ų6685 Ų8534%0.33845%0.447SS..EExtended strand (participates in β ladder)trans-91.9126.9173.9-60173.5000107.9F141 G142 V143 G154 L179F141-I156 HydrophobicContact CE1-CG2 4.23Å; F141-I156 HydrophobicContact CE2-CG2 3.53Å; F141-I156 HydrophobicContact CZ-CG2 3.33Å; G142-I156 WeakPolarHBondContact O-CA 3.41Å; V143-I156 HydrophobicContact CG2-CG1 4.44Å; G154-I156 PolarHBondContact O-N 3.27Å; I156-L179 HydrophobicContact CD1-CD2 4.43Å; I156-L179 HydrophobicContact CG2-CB 4.4Å; I156-L179 HydrophobicContact CG2-CD1 4.3Å
157F81.3Confident69.8Low46 Ų4685 Ų8520%0.20245%0.447CS..EExtended strand (participates in β ladder)trans-142.2155.2177.964.3-86.3000111.2G142 Q159 E176 L177G142-F157 PolarHBondContact N-O 3.28Å; G142-F157 PolarHBondContact O-N 3.45Å; F157-Q159 HydrophobicContact CD2-CG 3.93Å; F157-Q159 HydrophobicContact CE2-CG 3.9Å; F157-E176 HydrophobicContact CB-CG 4.04Å; F157-E176 HydrophobicContact CD2-CG 3.87Å; F157-E176 WeakPolarHBondContact CD2-OE2 3.28Å; F157-E176 HydrophobicContact CG-CG 4.32Å; F157-L177 CarbonylContact C-O 3.58Å; F157-L177 WeakPolarHBondContact CA-O 3.49Å
158L83.9Confident70.3Confident11 Ų1186.7 Ų86.76%0.05845%0.451CS..EExtended strand (participates in β ladder)trans-118.3120.8176.3-177.177.6000108.8W139 F141 L160 E176 L177 F182W139-L158 HydrophobicContact CB-CD1 4.31Å; W139-L158 HydrophobicContact CE3-CD1 3.9Å; F141-L158 HydrophobicContact CB-CD1 4.36Å; F141-L158 HydrophobicContact CD2-CD1 4.29Å; L158-L160 HydrophobicContact CD2-CD1 4.08Å; L158-L160 HydrophobicContact CD2-CD2 4.16Å; L158-L160 HydrophobicContact CD2-CG 3.96Å; L158-L160 HydrophobicContact CG-CG 4.25Å; L158-E176 CarbonylContact O-C 3.49Å; L158-E176 WeakPolarHBondContact O-CA 3.42Å; L158-L177 HydrophobicContact CB-CB 4.43Å; L158-L177 PolarHBondContact N-O 3.43Å; L158-L177 PolarHBondContact O-N 3.36Å; L158-F182 HydrophobicContact CD2-CB 4.4Å; L158-F182 HydrophobicContact CD2-CD2 3.25Å; L158-F182 HydrophobicContact CD2-CE2 3.64Å; L158-F182 HydrophobicContact CD2-CG 3.96Å
159Q86.6Confident71.1Confident87 Ų8785.9 Ų85.941%0.40745%0.445SS..EExtended strand (participates in β ladder)trans-94.8124.5170.4-70.7-180-14.100109.3W139 K140 F157 M175 E176W139-Q159 CarbonylContact C-O 3.56Å; W139-Q159 VanDerWaalsContact CA-O 3.3Å; W139-Q159 WeakPolarHBondContact CA-O 3.23Å; K140-Q159 HydrophobicContact CB-CB 4.41Å; K140-Q159 PolarHBondContact N-O 3Å; K140-Q159 PolarHBondContact O-N 2.91Å; F157-Q159 HydrophobicContact CD2-CG 3.93Å; F157-Q159 HydrophobicContact CE2-CG 3.9Å; Q159-M175 CarbonylContact C-O 3.38Å; Q159-M175 WeakPolarHBondContact CA-O 3.44Å; Q159-E176 HydrophobicContact CG-CB 4.4Å; Q159-E176 HydrophobicContact CG-CG 4.09Å; Q159-E176 WeakPolarHBondContact CG-OE2 3.41Å; Q159-E176 PolarHBondContact NE2-OE2 2.97Å
160L87.3Confident72.5Confident8 Ų880.4 Ų80.44%0.04243%0.426CS..EExtended strand (participates in β ladder)trans-112.1138.4176-71.5163.5000109.2M137 E138 W139 L158 F174 M175 L177 F185M137-L160 HydrophobicContact CG-CD2 4.19Å; M137-L160 HydrophobicContact SD-CD2 3.98Å; E138-L160 WeakPolarHBondContact O-CA 3.4Å; W139-L160 HydrophobicContact CB-CD2 3.6Å; L158-L160 HydrophobicContact CD2-CD1 4.08Å; L158-L160 HydrophobicContact CD2-CD2 4.16Å; L158-L160 HydrophobicContact CD2-CG 3.96Å; L158-L160 HydrophobicContact CG-CG 4.25Å; L160-F174 WeakPolarHBondContact O-CA 2.92Å; L160-M175 HydrophobicContact CB-CG 3.53Å; L160-M175 HydrophobicContact CB-SD 4.16Å; L160-M175 HydrophobicContact CD1-CE 4.2Å; L160-M175 HydrophobicContact CD1-CG 4.15Å; L160-M175 HydrophobicContact CD1-SD 4.06Å; L160-M175 HydrophobicContact CG-CG 4.43Å; L160-M175 PolarHBondContact N-O 2.82Å; L160-M175 PolarHBondContact O-N 3.23Å; L160-L177 HydrophobicContact CD1-CD1 3.59Å; L160-L177 HydrophobicContact CD1-CG 4.25Å; L160-F185 HydrophobicContact CD1-CE1 4.39Å
161K90.1Very high74.2Confident43 Ų4376.8 Ų76.819%0.18741%0.405CS..EExtended strand (participates in β ladder)trans-119.2111.7168172.9-164.5170.9-159.50107.2M137 E138 N172 V173 F174M137-K161 WeakPolarHBondContact CA-O 3.48Å; E138-K161 HydrophobicContact CB-CB 4.22Å; E138-K161 HydrophobicContact CB-CD 4.38Å; E138-K161 VanDerWaalsContact CD-NZ 3.32Å; E138-K161 PolarHBondContact N-O 3.39Å; E138-K161 PolarHBondContact O-N 3.26Å; E138-K161 IonicContact OE1-NZ 3.96Å; E138-K161 PolarHBondContact OE1-NZ 3Å; E138-K161 WeakPolarHBondContact OE2-CD 3.38Å; E138-K161 IonicContact OE2-NZ 3.41Å; E138-K161 PolarHBondContact OE2-NZ 2.77Å; K161-N172 VanDerWaalsContact CE-CG 3.49Å; K161-N172 WeakPolarHBondContact CE-OD1 3.5Å; K161-N172 HydrophobicContact CG-CB 4.38Å; K161-V173 CarbonylContact C-O 3.56Å; K161-V173 WeakPolarHBondContact CA-O 3.45Å; K161-F174 HydrophobicContact CB-CD1 3.83Å; K161-F174 HydrophobicContact CB-CE1 3.76Å; K161-F174 HydrophobicContact CD-CE1 3.74Å; K161-F174 HydrophobicContact CD-CZ 4.07Å; K161-F174 HydrophobicContact CG-CD1 4Å; K161-F174 HydrophobicContact CG-CE1 3.54Å; K161-F174 HydrophobicContact CG-CZ 3.97Å
162L87Confident76.2Confident30 Ų3072.3 Ų72.316%0.15739%0.387CS..EExtended strand (participates in β ladder)trans-94128.6174.6-58.7177.1000108.5L134 M137 V164 N172 V173 M175L134-L162 HydrophobicContact CD1-CB 3.63Å; L134-L162 HydrophobicContact CD1-CD2 3.69Å; L134-L162 HydrophobicContact CD1-CG 4.16Å; L134-L162 HydrophobicContact CD2-CD2 4.26Å; M137-L162 HydrophobicContact CB-CD2 4.21Å; M137-L162 HydrophobicContact CG-CD2 3.78Å; M137-L162 HydrophobicContact SD-CD2 3.94Å; L162-V164 HydrophobicContact CB-CG2 4.25Å; L162-N172 CarbonylContact O-C 3.59Å; L162-N172 WeakPolarHBondContact O-CA 3.42Å; L162-V173 HydrophobicContact CB-CB 4.29Å; L162-V173 PolarHBondContact N-O 2.65Å; L162-V173 PolarHBondContact O-N 3.06Å; L162-M175 HydrophobicContact CD1-SD 3.87Å; L162-M175 HydrophobicContact CG-SD 4.4Å
163V88.5Confident77.8Confident16 Ų1665.6 Ų65.610%0.09736%0.362CS..EExtended strand (participates in β ladder)trans-101110.8176.2-174.20000107V135 D136 T170V135-V163 HydrophobicContact CG2-CB 4.03Å; V135-V163 HydrophobicContact CG2-CG1 3.59Å; V135-V163 WeakPolarHBondContact CG2-O 3.17Å; V135-V163 PolarHBondContact N-O 3.11Å; D136-V163 HydrophobicContact CB-CB 3.74Å; D136-V163 HydrophobicContact CB-CG1 4.38Å; D136-V163 HydrophobicContact CB-CG2 3.81Å; D136-V163 PolarHBondContact N-O 3.19Å; D136-V163 PolarHBondContact O-N 3.14Å; V163-T170 HydrophobicContact CB-CG2 4.46Å; V163-T170 HydrophobicContact CG1-CG2 3.1Å
164V84.7Confident79.4Confident17 Ų1767.1 Ų67.110%0.10336%0.359CS..EExtended strand (participates in β ladder)trans-115.2122.3-169.8179.20000109.7N132 Q133 L134 L162 K166 T170 E171 V173N132-V164 HydrophobicContact CB-CG1 3.54Å; Q133-V164 CarbonylContact O-C 3.59Å; Q133-V164 VanDerWaalsContact O-CA 3.31Å; Q133-V164 WeakPolarHBondContact O-CA 3.31Å; L134-V164 HydrophobicContact CD1-CG2 4.34Å; L162-V164 HydrophobicContact CB-CG2 4.25Å; V164-K166 HydrophobicContact CG1-CG 4.41Å; V164-K166 PolarHBondContact O-N 3.42Å; V164-T170 CarbonylContact O-C 3.04Å; V164-T170 WeakPolarHBondContact O-CA 3.06Å; V164-E171 PolarHBondContact N-O 3.12Å; V164-E171 PolarHBondContact O-N 2.88Å; V164-V173 HydrophobicContact CG2-CG2 4.3Å
165R76.4Confident80.7Confident112 Ų11268.7 Ų68.742%0.42336%0.359SS..EExtended strand (participates in β ladder)trans-80.9117.1173.7-177.1176.4-69.2170.6-1.7110.3N132 Q133 V135 G167 S169N132-R165 CarbonylContact C-O 3.54Å; N132-R165 WeakPolarHBondContact CA-O 3.19Å; N132-R165 PolarHBondContact N-O 3.31Å; Q133-R165 HydrophobicContact CB-CB 4.27Å; Q133-R165 PolarHBondContact N-O 2.78Å; Q133-R165 VanDerWaalsContact N-O 3.14Å; Q133-R165 PolarHBondContact O-N 2.84Å; V135-R165 HydrophobicContact CG1-CB 3.79Å; R165-G167 WeakPolarHBondContact CG-O 3.24Å; R165-S169 WeakPolarHBondContact CA-O 3.43Å
166K71.8Confident81.8Confident84 Ų8468.5 Ų68.537%0.36536%0.355SS..EExtended strand (participates in β ladder)trans-110.792.2174.1-76.3-172.3-175.8170.30109.3N132 V164 N168 S169 E171N132-K166 WeakPolarHBondContact OD1-CD 3.4Å; N132-K166 WeakPolarHBondContact OD1-CE 3.2Å; N132-K166 WeakPolarHBondContact OD1-CG 3.03Å; V164-K166 HydrophobicContact CG1-CG 4.41Å; V164-K166 PolarHBondContact O-N 3.42Å; K166-N168 PolarHBondContact O-N 2.72Å; K166-S169 PolarHBondContact N-O 3.49Å; K166-S169 PolarHBondContact O-N 2.8Å; K166-S169 PolarHBondContact O-OG 2.8Å; K166-E171 VanDerWaalsContact CD-OE2 3.24Å; K166-E171 WeakPolarHBondContact CD-OE2 3.45Å; K166-E171 WeakPolarHBondContact CE-OE2 3.5Å; K166-E171 IonicContact NZ-OE1 2.78Å; K166-E171 IonicContact NZ-OE2 3.49Å; K166-E171 PolarHBondContact NZ-OE2 2.81Å
167G68.8Low82.2Confident49 Ų4966.2 Ų66.251%0.50534%0.343SS..THydrogen-bonded Turntrans63.9-117.3-174.300000111.2R165R165-G167 WeakPolarHBondContact CG-O 3.24Å
168N65.3Low82.4Confident180 Ų18067.3 Ų67.396%0.96335%0.354SS*.THydrogen-bonded Turntrans-91.6-5.7179.7-70.4-6.5000114.1K166K166-N168 PolarHBondContact O-N 2.72Å
169S71.8Confident82.3Confident72 Ų7269.6 Ų69.650%0.50337%0.366SS..EExtended strand (participates in β ladder)trans-108.6161.6178.565.50000111.6R165 K166R165-S169 WeakPolarHBondContact CA-O 3.43Å; K166-S169 PolarHBondContact N-O 3.49Å; K166-S169 PolarHBondContact O-N 2.8Å; K166-S169 PolarHBondContact O-OG 2.8Å
170T84.3Confident82.2Confident82 Ų8269.6 Ų69.650%0.50337%0.373SS..EExtended strand (participates in β ladder)trans-119131.7175.2-52.90000108.5V135 V163 V164V135-T170 HydrophobicContact CG2-CG2 4.2Å; V163-T170 HydrophobicContact CB-CG2 4.46Å; V163-T170 HydrophobicContact CG1-CG2 3.1Å; V164-T170 CarbonylContact O-C 3.04Å; V164-T170 WeakPolarHBondContact O-CA 3.06Å
171E86.9Confident81.9Confident85 Ų8573.8 Ų73.840%0.39739%0.393SS..EExtended strand (participates in β ladder)trans-117.9138.7-179.1-173.8179.5156.500110.2V164 K166V164-E171 PolarHBondContact N-O 3.12Å; V164-E171 PolarHBondContact O-N 2.88Å; K166-E171 VanDerWaalsContact CD-OE2 3.24Å; K166-E171 WeakPolarHBondContact CD-OE2 3.45Å; K166-E171 WeakPolarHBondContact CE-OE2 3.5Å; K166-E171 IonicContact NZ-OE1 2.78Å; K166-E171 IonicContact NZ-OE2 3.49Å; K166-E171 PolarHBondContact NZ-OE2 2.81Å
172N89.9Confident81.6Confident76 Ų7674.8 Ų74.841%0.40640%0.397SS..EExtended strand (participates in β ladder)trans-96.6118.5175.1-64.6-34.7000109.5K161 L162 F174K161-N172 VanDerWaalsContact CE-CG 3.49Å; K161-N172 WeakPolarHBondContact CE-OD1 3.5Å; K161-N172 HydrophobicContact CG-CB 4.38Å; L162-N172 CarbonylContact O-C 3.59Å; L162-N172 WeakPolarHBondContact O-CA 3.42Å; N172-F174 HydrophobicContact CB-CD2 4.48Å; N172-F174 HydrophobicContact CB-CE2 3.68Å; N172-F174 HydrophobicContact CB-CZ 3.96Å
173V84.4Confident81.5Confident54 Ų5480.1 Ų80.133%0.32742%0.416SS..EExtended strand (participates in β ladder)trans-103.3122174.2-179.50000108.4K161 L162 V164K161-V173 CarbonylContact C-O 3.56Å; K161-V173 WeakPolarHBondContact CA-O 3.45Å; L162-V173 HydrophobicContact CB-CB 4.29Å; L162-V173 PolarHBondContact N-O 2.65Å; L162-V173 PolarHBondContact O-N 3.06Å; V164-V173 HydrophobicContact CG2-CG2 4.3Å
174F85.8Confident81.3Confident146 Ų14684.6 Ų84.664%0.6444%0.44SS*.EExtended strand (participates in β ladder)trans-104.2136179.3-61.6-90000110.3L160 K161 N172L160-F174 WeakPolarHBondContact O-CA 2.92Å; K161-F174 HydrophobicContact CB-CD1 3.83Å; K161-F174 HydrophobicContact CB-CE1 3.76Å; K161-F174 HydrophobicContact CD-CE1 3.74Å; K161-F174 HydrophobicContact CD-CZ 4.07Å; K161-F174 HydrophobicContact CG-CD1 4Å; K161-F174 HydrophobicContact CG-CE1 3.54Å; K161-F174 HydrophobicContact CG-CZ 3.97Å; N172-F174 HydrophobicContact CB-CD2 4.48Å; N172-F174 HydrophobicContact CB-CE2 3.68Å; N172-F174 HydrophobicContact CB-CZ 3.96Å
175M83.2Confident81.2Confident62 Ų6286.8 Ų86.831%0.30545%0.448SS..EExtended strand (participates in β ladder)trans-142.3147.3176.961.9-167.8-73.100110.2Q159 L160 L162 L177Q159-M175 CarbonylContact C-O 3.38Å; Q159-M175 WeakPolarHBondContact CA-O 3.44Å; L160-M175 HydrophobicContact CB-CG 3.53Å; L160-M175 HydrophobicContact CB-SD 4.16Å; L160-M175 HydrophobicContact CD1-CE 4.2Å; L160-M175 HydrophobicContact CD1-CG 4.15Å; L160-M175 HydrophobicContact CD1-SD 4.06Å; L160-M175 HydrophobicContact CG-CG 4.43Å; L160-M175 PolarHBondContact N-O 2.82Å; L160-M175 PolarHBondContact O-N 3.23Å; L162-M175 HydrophobicContact CD1-SD 3.87Å; L162-M175 HydrophobicContact CG-SD 4.4Å; M175-L177 HydrophobicContact CE-CD1 4Å; M175-L177 HydrophobicContact CE-CD2 3.64Å; M175-L177 HydrophobicContact CE-CG 3.94Å
176E85.6Confident81.5Confident113 Ų11384.8 Ų84.853%0.52845%0.445SS..EExtended strand (participates in β ladder)trans-116.5129.2173.3-171.1171.699.400108.9F157 L158 Q159F157-E176 HydrophobicContact CB-CG 4.04Å; F157-E176 HydrophobicContact CD2-CG 3.87Å; F157-E176 WeakPolarHBondContact CD2-OE2 3.28Å; F157-E176 HydrophobicContact CG-CG 4.32Å; L158-E176 CarbonylContact O-C 3.49Å; L158-E176 WeakPolarHBondContact O-CA 3.42Å; Q159-E176 HydrophobicContact CG-CB 4.4Å; Q159-E176 HydrophobicContact CG-CG 4.09Å; Q159-E176 WeakPolarHBondContact CG-OE2 3.41Å; Q159-E176 PolarHBondContact NE2-OE2 2.97Å
177L82.5Confident82.2Confident18 Ų1886 Ų869%0.09445%0.452CS..EExtended strand (participates in β ladder)trans-115.4135.1179.5-61.7-177.9000109.6F157 L158 L160 M175 Q181 F185F157-L177 CarbonylContact C-O 3.58Å; F157-L177 WeakPolarHBondContact CA-O 3.49Å; L158-L177 HydrophobicContact CB-CB 4.43Å; L158-L177 PolarHBondContact N-O 3.43Å; L158-L177 PolarHBondContact O-N 3.36Å; L160-L177 HydrophobicContact CD1-CD1 3.59Å; L160-L177 HydrophobicContact CD1-CG 4.25Å; M175-L177 HydrophobicContact CE-CD1 4Å; M175-L177 HydrophobicContact CE-CD2 3.64Å; M175-L177 HydrophobicContact CE-CG 3.94Å; L177-Q181 HydrophobicContact CB-CB 4.21Å; L177-Q181 HydrophobicContact CD2-CB 4.06Å; L177-F185 HydrophobicContact CD1-CB 4.17Å; L177-F185 HydrophobicContact CD1-CD1 4.48Å; L177-F185 HydrophobicContact CD1-CG 4.28Å
178T85Confident82.9Confident68 Ų6887.8 Ų87.842%0.41745%0.447SS..EExtended strand (participates in β ladder)trans-68.6161.6161.661.80000110.4Q181 F182T178-Q181 PolarHBondContact O-N 3.41Å; T178-Q181 VanDerWaalsContact O-N 3.08Å; T178-Q181 VanDerWaalsContact OG1-CG 3.27Å; T178-Q181 WeakPolarHBondContact OG1-CG 3.3Å; T178-Q181 PolarHBondContact OG1-OE1 3.33Å; T178-F182 PolarHBondContact O-N 2.95Å
179L82.3Confident83.6Confident59 Ų5983.5 Ų83.531%0.30942%0.422SS..Hα-helixtrans-55.4-43.3179.5-169.767.5000113.6I156 Q181 F182 Y183I156-L179 HydrophobicContact CD1-CD2 4.43Å; I156-L179 HydrophobicContact CG2-CB 4.4Å; I156-L179 HydrophobicContact CG2-CD1 4.3Å; L179-Q181 PolarHBondContact O-N 3.5Å; L179-F182 PolarHBondContact O-N 2.92Å; L179-Y183 HydrophobicContact CD1-CE2 3.92Å; L179-Y183 HydrophobicContact CD2-CE2 4.4Å; L179-Y183 HydrophobicContact CG-CD2 4.28Å; L179-Y183 HydrophobicContact CG-CE2 3.82Å; L179-Y183 VanDerWaalsContact O-CD2 3.23Å; L179-Y183 WeakPolarHBondContact O-CD2 3.39Å; L179-Y183 PolarHBondContact O-N 3.35Å
180P84.8Confident84.1Confident87 Ų8785.4 Ų85.457%0.56542%0.423SS*.Hα-helixtrans-63.5-39.3174.2-23.135.1000113.5F182 Y183 N184P180-F182 VanDerWaalsContact C-N 3.3Å; P180-F182 PolarHBondContact O-N 3.45Å; P180-Y183 PolarHBondContact O-N 3.31Å; P180-N184 PolarHBondContact O-N 3.48Å; P180-N184 VanDerWaalsContact O-N 3.14Å
181Q82Confident83.9Confident96 Ų9688.2 Ų88.245%0.44943%0.425SS..Hα-helixtrans-66.5-33.6178.2-70.2166.7-41.200111.8L177 T178 L179 N184 F185L177-Q181 HydrophobicContact CB-CB 4.21Å; L177-Q181 HydrophobicContact CD2-CB 4.06Å; T178-Q181 PolarHBondContact O-N 3.41Å; T178-Q181 VanDerWaalsContact O-N 3.08Å; T178-Q181 VanDerWaalsContact OG1-CG 3.27Å; T178-Q181 WeakPolarHBondContact OG1-CG 3.3Å; T178-Q181 PolarHBondContact OG1-OE1 3.33Å; L179-Q181 PolarHBondContact O-N 3.5Å; Q181-N184 PolarHBondContact O-N 2.81Å; Q181-F185 WeakPolarHBondContact O-CB 3.37Å; Q181-F185 PolarHBondContact O-N 2.81Å
182F83.1Confident83.3Confident64 Ų6486.6 Ų86.628%0.28143%0.426SS..Hα-helixtrans-63.7-45.8173.8171.7-111.4000112.5L158 T178 L179 P180 N184 F185 L186L158-F182 HydrophobicContact CD2-CB 4.4Å; L158-F182 HydrophobicContact CD2-CD2 3.25Å; L158-F182 HydrophobicContact CD2-CE2 3.64Å; L158-F182 HydrophobicContact CD2-CG 3.96Å; T178-F182 PolarHBondContact O-N 2.95Å; L179-F182 PolarHBondContact O-N 2.92Å; P180-F182 VanDerWaalsContact C-N 3.3Å; P180-F182 PolarHBondContact O-N 3.45Å; F182-N184 VanDerWaalsContact C-N 3.32Å; F182-N184 PolarHBondContact O-N 3.18Å; F182-F185 WeakPolarHBondContact O-CB 3.48Å; F182-F185 PolarHBondContact O-N 3.01Å; F182-L186 PolarHBondContact O-N 2.64Å
183Y84Confident82.5Confident142 Ų14289.2 Ų89.256%0.55743%0.434SS*.Hα-helixtrans-63.1-39.7177.3-76.8-66.9000112.4L179 P180 F185 L186 H187L179-Y183 HydrophobicContact CD1-CE2 3.92Å; L179-Y183 HydrophobicContact CD2-CE2 4.4Å; L179-Y183 HydrophobicContact CG-CD2 4.28Å; L179-Y183 HydrophobicContact CG-CE2 3.82Å; L179-Y183 VanDerWaalsContact O-CD2 3.23Å; L179-Y183 WeakPolarHBondContact O-CD2 3.39Å; L179-Y183 PolarHBondContact O-N 3.35Å; P180-Y183 PolarHBondContact O-N 3.31Å; Y183-F185 VanDerWaalsContact C-N 3.35Å; Y183-L186 PolarHBondContact O-N 3.41Å; Y183-H187 WeakPolarHBondContact O-CB 3.46Å; Y183-H187 PolarHBondContact O-N 3.43Å
184N85.3Confident82Confident111 Ų11189.4 Ų89.459%0.59444%0.441SS*.Hα-helixtrans-62.6-43.7173.6-70.2-18.2000111.4P180 Q181 F182 H187 E188P180-N184 PolarHBondContact O-N 3.48Å; P180-N184 VanDerWaalsContact O-N 3.14Å; Q181-N184 PolarHBondContact O-N 2.81Å; F182-N184 VanDerWaalsContact C-N 3.32Å; F182-N184 PolarHBondContact O-N 3.18Å; N184-H187 PolarHBondContact O-N 2.89Å; N184-E188 WeakPolarHBondContact O-CG 3.39Å; N184-E188 PolarHBondContact O-N 3.03Å
185F81.9Confident81.1Confident63 Ų6385.4 Ų85.428%0.27643%0.431SS..Hα-helixtrans-61.1-45.2177.3177.7-102.9000112.1L160 L177 Q181 F182 Y183 H187 E188 M189L160-F185 HydrophobicContact CD1-CE1 4.39Å; L177-F185 HydrophobicContact CD1-CB 4.17Å; L177-F185 HydrophobicContact CD1-CD1 4.48Å; L177-F185 HydrophobicContact CD1-CG 4.28Å; Q181-F185 WeakPolarHBondContact O-CB 3.37Å; Q181-F185 PolarHBondContact O-N 2.81Å; F182-F185 WeakPolarHBondContact O-CB 3.48Å; F182-F185 PolarHBondContact O-N 3.01Å; Y183-F185 VanDerWaalsContact C-N 3.35Å; F185-H187 PolarHBondContact O-N 2.81Å; F185-E188 PolarHBondContact O-N 2.9Å; F185-M189 HydrophobicContact CD1-SD 4.03Å; F185-M189 HydrophobicContact CE1-CG 4.13Å; F185-M189 HydrophobicContact CE1-SD 3.28Å; F185-M189 WeakPolarHBondContact CE1-SD 3.35Å; F185-M189 HydrophobicContact CE2-CG 4.41Å; F185-M189 HydrophobicContact CE2-SD 4.38Å; F185-M189 HydrophobicContact CZ-CG 4.07Å; F185-M189 HydrophobicContact CZ-SD 3.49Å; F185-M189 WeakPolarHBondContact CZ-SD 3.49Å; F185-M189 WeakPolarHBondContact O-CG 3.34Å; F185-M189 PolarHBondContact O-N 2.92Å
186L83.6Confident80.2Confident69 Ų6989.2 Ų89.236%0.36145%0.45SS..Hα-helixtrans-59.6-46.8176.7-179.863.7000111.6F182 Y183 E188 M189 E190F182-L186 PolarHBondContact O-N 2.64Å; Y183-L186 PolarHBondContact O-N 3.41Å; L186-E188 VanDerWaalsContact C-N 3.33Å; L186-E188 PolarHBondContact O-N 3.49Å; L186-M189 WeakPolarHBondContact O-CB 3.47Å; L186-M189 PolarHBondContact O-N 3.03Å; L186-E190 WeakPolarHBondContact O-CG 3.44Å; L186-E190 PolarHBondContact O-N 3.38Å
187H87Confident79.3Confident111 Ų11189.5 Ų89.551%0.51445%0.451SS..Hα-helixtrans-60.2-42.6178.6-176.262.8000112.3Y183 N184 F185 M189 E190 R191Y183-H187 WeakPolarHBondContact O-CB 3.46Å; Y183-H187 PolarHBondContact O-N 3.43Å; N184-H187 PolarHBondContact O-N 2.89Å; F185-H187 PolarHBondContact O-N 2.81Å; H187-M189 VanDerWaalsContact C-N 3.35Å; H187-M189 PolarHBondContact O-N 3.44Å; H187-E190 PolarHBondContact O-N 3.18Å; H187-R191 WeakPolarHBondContact O-CB 3.23Å; H187-R191 PolarHBondContact O-N 2.84Å
188E82.4Confident77.6Confident85 Ų8596.8 Ų96.840%0.39748%0.482SS..Hα-helixtrans-65.2-37.4176.5-72.5-62.3142.300112.3N184 F185 L186 R191 A192N184-E188 WeakPolarHBondContact O-CG 3.39Å; N184-E188 PolarHBondContact O-N 3.03Å; F185-E188 PolarHBondContact O-N 2.9Å; L186-E188 VanDerWaalsContact C-N 3.33Å; L186-E188 PolarHBondContact O-N 3.49Å; E188-R191 PolarHBondContact O-N 2.79Å; E188-R191 IonicContact OE1-CZ 3.14Å; E188-R191 IonicContact OE1-NH1 3.31Å; E188-R191 PolarHBondContact OE1-NH1 3.34Å; E188-R191 IonicContact OE1-NH2 2.81Å; E188-R191 PolarHBondContact OE1-NH2 3.49Å; E188-R191 IonicContact OE2-CZ 3.81Å; E188-R191 IonicContact OE2-NE 3.82Å; E188-R191 PolarHBondContact OE2-NE 2.81Å; E188-R191 IonicContact OE2-NH1 3.53Å; E188-R191 IonicContact OE2-NH2 3.92Å; E188-R191 PolarHBondContact OE2-NH2 3.26Å; E188-A192 WeakPolarHBondContact O-CB 3.27Å; E188-A192 PolarHBondContact O-N 3.14Å
189M79.4Confident75.6Confident90 Ų90101.9 Ų101.944%0.44350%0.499SS..Hα-helixtrans-65-41.9173.4-72.1-169.273.800112.5F185 L186 H187 R191 A192 K193F185-M189 HydrophobicContact CD1-SD 4.03Å; F185-M189 HydrophobicContact CE1-CG 4.13Å; F185-M189 HydrophobicContact CE1-SD 3.28Å; F185-M189 WeakPolarHBondContact CE1-SD 3.35Å; F185-M189 HydrophobicContact CE2-CG 4.41Å; F185-M189 HydrophobicContact CE2-SD 4.38Å; F185-M189 HydrophobicContact CZ-CG 4.07Å; F185-M189 HydrophobicContact CZ-SD 3.49Å; F185-M189 WeakPolarHBondContact CZ-SD 3.49Å; F185-M189 WeakPolarHBondContact O-CG 3.34Å; F185-M189 PolarHBondContact O-N 2.92Å; L186-M189 WeakPolarHBondContact O-CB 3.47Å; L186-M189 PolarHBondContact O-N 3.03Å; H187-M189 VanDerWaalsContact C-N 3.35Å; H187-M189 PolarHBondContact O-N 3.44Å; M189-R191 VanDerWaalsContact C-N 3.34Å; M189-A192 PolarHBondContact O-N 3.48Å; M189-K193 WeakPolarHBondContact O-CB 3.38Å; M189-K193 PolarHBondContact O-N 3.36Å
190E82.8Confident73.8Confident113 Ų113105.7 Ų105.753%0.52854%0.539SS..Hα-helixtrans-62.8-42175.8-72.2176.8163.200111.5L186 H187 K193 A194L186-E190 WeakPolarHBondContact O-CG 3.44Å; L186-E190 PolarHBondContact O-N 3.38Å; H187-E190 PolarHBondContact O-N 3.18Å; E190-K193 PolarHBondContact O-N 3.45Å; E190-A194 PolarHBondContact O-N 3.08Å
191R79.6Confident73.2Confident141 Ų141106.7 Ų106.753%0.53254%0.538SS..Hα-helixtrans-64.5-42175.6-167.8178.474.5179.42.2112.1H187 E188 M189 A194 S195H187-R191 WeakPolarHBondContact O-CB 3.23Å; H187-R191 PolarHBondContact O-N 2.84Å; E188-R191 PolarHBondContact O-N 2.79Å; E188-R191 IonicContact OE1-CZ 3.14Å; E188-R191 IonicContact OE1-NH1 3.31Å; E188-R191 PolarHBondContact OE1-NH1 3.34Å; E188-R191 IonicContact OE1-NH2 2.81Å; E188-R191 PolarHBondContact OE1-NH2 3.49Å; E188-R191 IonicContact OE2-CZ 3.81Å; E188-R191 IonicContact OE2-NE 3.82Å; E188-R191 PolarHBondContact OE2-NE 2.81Å; E188-R191 IonicContact OE2-NH1 3.53Å; E188-R191 IonicContact OE2-NH2 3.92Å; E188-R191 PolarHBondContact OE2-NH2 3.26Å; M189-R191 VanDerWaalsContact C-N 3.34Å; R191-A194 PolarHBondContact O-N 3.05Å; R191-S195 PolarHBondContact O-N 2.86Å; R191-S195 PolarHBondContact O-OG 2.87Å
192A73.9Confident72.8Confident51 Ų51107.2 Ų107.242%0.42154%0.543SS..Hα-helixtrans-61.8-44.317500000111.6E188 M189 S195 M196E188-A192 WeakPolarHBondContact O-CB 3.27Å; E188-A192 PolarHBondContact O-N 3.14Å; M189-A192 PolarHBondContact O-N 3.48Å; A192-S195 PolarHBondContact O-N 2.81Å; A192-M196 WeakPolarHBondContact O-CG 3.49Å; A192-M196 PolarHBondContact O-N 2.76Å
193K74.1Confident72.2Confident130 Ų130109.6 Ų109.657%0.56556%0.557SS**Hα-helixtrans-57.1-51.3174.8179.2-175170.1-174.40111.7M189 E190 S195 M196 E197M189-K193 WeakPolarHBondContact O-CB 3.38Å; M189-K193 PolarHBondContact O-N 3.36Å; E190-K193 PolarHBondContact O-N 3.45Å; K193-S195 PolarHBondContact O-N 2.95Å; K193-M196 PolarHBondContact O-N 3.31Å; K193-M196 VanDerWaalsContact O-N 3.1Å; K193-E197 WeakPolarHBondContact CE-OE1 3.37Å; K193-E197 IonicContact NZ-OE1 3.69Å; K193-E197 PolarHBondContact O-N 3.19Å
194A74.1Confident71.5Confident58 Ų58107.7 Ų107.748%0.47956%0.557SS.*Hα-helixtrans-59.7-35.2179.700000112.4E190 R191 F198E190-A194 PolarHBondContact O-N 3.08Å; R191-A194 PolarHBondContact O-N 3.05Å; A194-F198 PolarHBondContact O-N 3.04Å
195S66.8Low70.6Confident62 Ų62107.5 Ų107.543%0.43456%0.555SS.*Hα-helixtrans-70.3-36.6177.4-55.10000111.9R191 A192 K193 F198 F199R191-S195 PolarHBondContact O-N 2.86Å; R191-S195 PolarHBondContact O-OG 2.87Å; A192-S195 PolarHBondContact O-N 2.81Å; K193-S195 PolarHBondContact O-N 2.95Å; S195-F198 PolarHBondContact O-N 3.34Å; S195-F199 WeakPolarHBondContact O-CD2 2.86Å
196M63.6Low69.9Low142 Ų142110.5 Ų110.570%0.757%0.574SS**Hα-helixtrans-71.3-37.2177.1-70.3178.167.400112.7A192 K193 F198 F199A192-M196 WeakPolarHBondContact O-CG 3.49Å; A192-M196 PolarHBondContact O-N 2.76Å; K193-M196 PolarHBondContact O-N 3.31Å; K193-M196 VanDerWaalsContact O-N 3.1Å; M196-F198 PolarHBondContact O-N 3Å; M196-F199 PolarHBondContact O-N 2.92Å
197E67.1Low68.9Low119 Ų119113.4 Ų113.456%0.55659%0.589SS**Hα-helixtrans-64.3-25.7175.1-72.1175.3169.800112.4K193 F199K193-E197 WeakPolarHBondContact CE-OE1 3.37Å; K193-E197 IonicContact NZ-OE1 3.69Å; K193-E197 PolarHBondContact O-N 3.19Å; E197-F199 VanDerWaalsContact C-N 3.35Å
198F47.2Very low67.5Low171 Ų171113.6 Ų113.675%0.7560%0.595SS**THydrogen-bonded Turntrans-73.1-23.7176-178.8-97.3000113.9A194 S195 M196A194-F198 PolarHBondContact O-N 3.04Å; S195-F198 PolarHBondContact O-N 3.34Å; M196-F198 PolarHBondContact O-N 3Å
199F43.8Very low66.3Low175 Ų175116 Ų11677%0.76861%0.611SS**THydrogen-bonded Turntrans-96.6-1.3179.6-68.2-68.9000113.8S195 M196 E197S195-F199 WeakPolarHBondContact O-CD2 2.86Å; M196-F199 PolarHBondContact O-N 2.92Å; E197-F199 VanDerWaalsContact C-N 3.35Å
200A43.2Very low65.1Low140 Ų140118.4 Ų118.4100%1.15763%0.626SS**  trans-93.40177.500000111.2

Retrieved 200 of 200 residues in 361.6 ms (Link to these results)

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