A0A060WDL7_ONCMY Loading...

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11

AlphaFold DB , UniProt , Accession A0A060WDL7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene ndufa11, Length 135 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
1M60.2Low82.7Confident178 Ų17875.5 Ų75.588%0.87738%0.377SS*.  01310-101.458175.500109.6D5 L6M1-D5 HydrophobicContact CG-CB 4.5Å; M1-L6 HydrophobicContact CB-CD2 4.47Å; M1-L6 HydrophobicContact CG-CD2 4.38Å
2G80.4Confident83.1Confident32 Ų3270.8 Ų70.833%0.3336%0.356SS..  trans-84.3159.9169.500000111.5W4 D5G2-W4 PolarHBondContact O-N 3.21Å; G2-W4 VanDerWaalsContact O-N 3.15Å; G2-D5 WeakPolarHBondContact CA-OD2 3.29Å; G2-D5 PolarHBondContact N-OD2 3Å; G2-D5 PolarHBondContact O-N 3.38Å
3Y87.1Confident83.8Confident23 Ų2374.6 Ų74.69%0.0939%0.385CS..G310 helixtrans-53.1-35.9178.3177.1-101.2000113.5K15 I18 T19 Y84Y3-K15 HydrophobicContact CD2-CB 4.25Å; Y3-K15 HydrophobicContact CD2-CG 4.09Å; Y3-K15 HydrophobicContact CE2-CB 3.89Å; Y3-K15 HydrophobicContact CE2-CD 4.19Å; Y3-K15 HydrophobicContact CE2-CG 3.94Å; Y3-K15 PolarHBondContact O-NZ 3.42Å; Y3-I18 HydrophobicContact CD2-CB 4.47Å; Y3-I18 HydrophobicContact CD2-CG2 4.33Å; Y3-T19 HydrophobicContact CD2-CG2 3.91Å; Y3-T19 HydrophobicContact CE2-CG2 3.41Å; Y3-T19 VanDerWaalsContact CE2-CG2 3.41Å; Y3-Y84 HydrophobicContact CE1-CE1 4.28Å; Y3-Y84 VanDerWaalsContact CE1-OH 3.28Å; Y3-Y84 WeakPolarHBondContact CE1-OH 3.32Å; Y3-Y84 PolarHBondContact OH-OH 3.29Å; Y3-Y84 VanDerWaalsContact OH-OH 3.13Å
4W88.1Confident84.4Confident109 Ų10975.9 Ų75.941%0.41339%0.388SS..G310 helixtrans-81.7-11.4-178.4-61.5113.9000114.5G2 Y84 K120 K123G2-W4 PolarHBondContact O-N 3.21Å; G2-W4 VanDerWaalsContact O-N 3.15Å; W4-Y84 HydrophobicContact CH2-CE1 4.01Å; W4-Y84 HydrophobicContact CZ3-CE1 4.25Å; W4-Y84 WeakPolarHBondContact CZ3-OH 3.48Å; W4-K120 HydrophobicContact CZ3-CD 4.35Å; W4-K123 HydrophobicContact CD2-CD 4.27Å; W4-K123 HydrophobicContact CD2-CG 4.13Å; W4-K123 HydrophobicContact CE3-CD 4.45Å; W4-K123 HydrophobicContact CE3-CG 3.84Å; W4-K123 HydrophobicContact CH2-CB 4.14Å; W4-K123 HydrophobicContact CH2-CG 4.25Å; W4-K123 HydrophobicContact CZ2-CB 4.48Å; W4-K123 HydrophobicContact CZ3-CB 4.2Å; W4-K123 HydrophobicContact CZ3-CG 3.91Å
5D87.3Confident84.8Confident121 Ų12170.9 Ų70.965%0.64736%0.362SS*.G310 helixtrans-85.4-16.6177.7-54.4-40.9000111.8M1 G2M1-D5 HydrophobicContact CG-CB 4.5Å; G2-D5 WeakPolarHBondContact CA-OD2 3.29Å; G2-D5 PolarHBondContact N-OD2 3Å; G2-D5 PolarHBondContact O-N 3.38Å
6L86.9Confident85.4Confident16 Ų1667.4 Ų67.48%0.08435%0.345CS..SBendtrans-84.2144.6-178.8-64.2171.9000111.4M1 D11 E14 K15 I18M1-L6 HydrophobicContact CB-CD2 4.47Å; M1-L6 HydrophobicContact CG-CD2 4.38Å; L6-D11 HydrophobicContact CB-CB 4.11Å; L6-D11 HydrophobicContact CD2-CB 4.09Å; L6-E14 HydrophobicContact CD1-CB 4.01Å; L6-E14 HydrophobicContact CD1-CG 3.84Å; L6-E14 HydrophobicContact CD2-CG 4.48Å; L6-K15 HydrophobicContact CB-CD 4.32Å; L6-K15 HydrophobicContact CB-CG 3.87Å; L6-K15 HydrophobicContact CD1-CG 3.7Å; L6-K15 HydrophobicContact CG-CG 4.46Å; L6-K15 WeakPolarHBondContact O-CE 3.46Å; L6-K15 PolarHBondContact O-NZ 2.93Å; L6-I18 HydrophobicContact CD1-CD1 3.59Å
7Q84.1Confident85.9Confident109 Ų10972.3 Ų72.351%0.50936%0.359SS..PPolyproline II helixtrans-73.8131.7179.4-69.5-171.91.200110.8K10 D11 K15Q7-K10 HydrophobicContact CB-CB 4.4Å; Q7-D11 PolarHBondContact N-OD2 3.23Å; Q7-D11 PolarHBondContact O-N 3.08Å; Q7-K15 VanDerWaalsContact O-CE 3.29Å; Q7-K15 WeakPolarHBondContact O-CE 3.37Å
8E83.3Confident86.4Confident22 Ų2270.1 Ų70.110%0.10335%0.348CS..THydrogen-bonded Turntrans-64.8134.6171.1-61.5-60.4161.300109.8K10 K15 P78 Y84E8-K10 PolarHBondContact O-N 3.28Å; E8-K15 VanDerWaalsContact CD-NZ 3.3Å; E8-K15 WeakPolarHBondContact OE1-CE 3.41Å; E8-K15 IonicContact OE1-NZ 3.21Å; E8-K15 PolarHBondContact OE1-NZ 3.36Å; E8-K15 IonicContact OE2-NZ 2.75Å; E8-P78 HydrophobicContact CB-CB 3.93Å; E8-P78 WeakPolarHBondContact CB-O 3.33Å; E8-Y84 PolarHBondContact OE1-OH 3.44Å
9G80.8Confident86.8Confident12 Ų1267.1 Ų67.112%0.12433%0.334CS..THydrogen-bonded Turntrans84.1-9.4178.500000116.5C69 Q73G9-C69 VanDerWaalsContact CA-SG 3.58Å; G9-Q73 VanDerWaalsContact O-CD 3.28Å; G9-Q73 WeakPolarHBondContact O-CG 3.24Å; G9-Q73 PolarHBondContact O-NE2 2.96Å
10K83.8Confident87.2Confident150 Ų15065 Ų6565%0.65233%0.325SS*.THydrogen-bonded Turntrans-115.4-48.3179-62.3-173-165.4159.20113.4Q7 E8 C12Q7-K10 HydrophobicContact CB-CB 4.4Å; E8-K10 PolarHBondContact O-N 3.28Å; K10-C12 PolarHBondContact O-N 3.06Å
11D87.4Confident87.6Confident59 Ų5967.3 Ų67.332%0.31633%0.333SS..  trans-90.448.6-175-56-46.1000111.7L6 Q7 V13 E14 K15L6-D11 HydrophobicContact CB-CB 4.11Å; L6-D11 HydrophobicContact CD2-CB 4.09Å; Q7-D11 PolarHBondContact N-OD2 3.23Å; Q7-D11 PolarHBondContact O-N 3.08Å; D11-V13 PolarHBondContact O-N 3.06Å; D11-E14 PolarHBondContact O-N 3.34Å; D11-K15 PolarHBondContact O-N 3.32Å
12C88.3Confident89.3Confident19 Ų1963.6 Ų63.613%0.12832%0.316CS..Hα-helixtrans-61.2-43.6-168.6-60.60000113.6K10 T16 C69 Q73K10-C12 PolarHBondContact O-N 3.06Å; C12-T16 WeakPolarHBondContact O-CB 3.47Å; C12-T16 PolarHBondContact O-N 2.88Å; C12-T16 PolarHBondContact O-OG1 3.3Å; C12-C69 WeakPolarHBondContact CA-SG 3.44Å; C12-C69 HydrophobicContact CB-CB 3.64Å; C12-C69 WeakPolarHBondContact CB-SG 3.34Å; C12-C69 WeakPolarHBondContact SG-CB 3.31Å; C12-C69 CovalentContact SG-SG 2.02Å; C12-C69 PolarHBondContact SG-SG 2.71Å; C12-Q73 PolarHBondContact SG-NE2 3.48Å
13V91.6Very high89.9Confident120 Ų12062.5 Ų62.573%0.72731%0.305SS*.Hα-helixtrans-65.8-43.3-177.5178.30000110.1D11 T16 W17D11-V13 PolarHBondContact O-N 3.06Å; V13-T16 PolarHBondContact O-N 3.32Å; V13-W17 VanDerWaalsContact O-CB 3.27Å; V13-W17 WeakPolarHBondContact O-CB 3.42Å; V13-W17 PolarHBondContact O-N 2.88Å
14E92.1Very high90.3Very high92 Ų9263.5 Ų63.543%0.4331%0.314SS..Hα-helixtrans-70.8-43.2-177.8-163.9170.617400111.7L6 D11 T16 W17 I18L6-E14 HydrophobicContact CD1-CB 4.01Å; L6-E14 HydrophobicContact CD1-CG 3.84Å; L6-E14 HydrophobicContact CD2-CG 4.48Å; D11-E14 PolarHBondContact O-N 3.34Å; E14-T16 PolarHBondContact O-N 3.45Å; E14-W17 WeakPolarHBondContact O-CB 3.26Å; E14-W17 PolarHBondContact O-N 2.89Å; E14-I18 HydrophobicContact CG-CD1 4.33Å; E14-I18 VanDerWaalsContact O-CG1 3.29Å; E14-I18 WeakPolarHBondContact O-CG1 3.29Å; E14-I18 PolarHBondContact O-N 3.39Å
15K91.2Very high90.6Very high1 Ų160.9 Ų60.90%0.00432%0.315CS..Hα-helixtrans-59.7-45.6173-80.8-173.9-177-86.10111.8Y3 L6 Q7 E8 D11 W17 I18 T19Y3-K15 HydrophobicContact CD2-CB 4.25Å; Y3-K15 HydrophobicContact CD2-CG 4.09Å; Y3-K15 HydrophobicContact CE2-CB 3.89Å; Y3-K15 HydrophobicContact CE2-CD 4.19Å; Y3-K15 HydrophobicContact CE2-CG 3.94Å; Y3-K15 PolarHBondContact O-NZ 3.42Å; L6-K15 HydrophobicContact CB-CD 4.32Å; L6-K15 HydrophobicContact CB-CG 3.87Å; L6-K15 HydrophobicContact CD1-CG 3.7Å; L6-K15 HydrophobicContact CG-CG 4.46Å; L6-K15 WeakPolarHBondContact O-CE 3.46Å; L6-K15 PolarHBondContact O-NZ 2.93Å; Q7-K15 VanDerWaalsContact O-CE 3.29Å; Q7-K15 WeakPolarHBondContact O-CE 3.37Å; E8-K15 VanDerWaalsContact CD-NZ 3.3Å; E8-K15 WeakPolarHBondContact OE1-CE 3.41Å; E8-K15 IonicContact OE1-NZ 3.21Å; E8-K15 PolarHBondContact OE1-NZ 3.36Å; E8-K15 IonicContact OE2-NZ 2.75Å; D11-K15 PolarHBondContact O-N 3.32Å; K15-W17 VanDerWaalsContact C-N 3.31Å; K15-W17 PolarHBondContact O-N 3.44Å; K15-I18 PolarHBondContact O-N 3.42Å; K15-T19 WeakPolarHBondContact O-CG2 3.41Å; K15-T19 PolarHBondContact O-N 2.72Å; K15-T19 PolarHBondContact O-OG1 3.44Å
16T93.9Very high90.9Very high15 Ų1560.5 Ų60.59%0.09231%0.312CS..Hα-helixtrans-60.9-42.1176.6-61.40000111.5C12 V13 E14 I18 T19 T20 A62 G65 M66C12-T16 WeakPolarHBondContact O-CB 3.47Å; C12-T16 PolarHBondContact O-N 2.88Å; C12-T16 PolarHBondContact O-OG1 3.3Å; V13-T16 PolarHBondContact O-N 3.32Å; E14-T16 PolarHBondContact O-N 3.45Å; T16-I18 VanDerWaalsContact C-N 3.34Å; T16-I18 PolarHBondContact O-N 2.91Å; T16-T19 WeakPolarHBondContact CA-OG1 3.27Å; T16-T19 PolarHBondContact O-N 3.36Å; T16-T19 PolarHBondContact O-OG1 2.88Å; T16-T20 VanDerWaalsContact O-CB 3.27Å; T16-T20 WeakPolarHBondContact O-CB 3.48Å; T16-T20 PolarHBondContact O-N 3.41Å; T16-T20 PolarHBondContact O-OG1 2.9Å; T16-A62 HydrophobicContact CG2-CB 4.32Å; T16-G65 VanDerWaalsContact OG1-C 3.25Å; T16-M66 HydrophobicContact CG2-CG 3.62Å; T16-M66 HydrophobicContact CG2-SD 4.1Å; T16-M66 PolarHBondContact OG1-N 2.96Å; T16-M66 PolarHBondContact OG1-SD 3.21Å
17W93.9Very high91.2Very high151 Ų15159.9 Ų59.957%0.57231%0.31SS*.Hα-helixtrans-63.2-42178-177.8-123.7000111.8V13 E14 K15 T20 K21V13-W17 VanDerWaalsContact O-CB 3.27Å; V13-W17 WeakPolarHBondContact O-CB 3.42Å; V13-W17 PolarHBondContact O-N 2.88Å; E14-W17 WeakPolarHBondContact O-CB 3.26Å; E14-W17 PolarHBondContact O-N 2.89Å; K15-W17 VanDerWaalsContact C-N 3.31Å; K15-W17 PolarHBondContact O-N 3.44Å; W17-T20 PolarHBondContact O-N 3.44Å; W17-K21 WeakPolarHBondContact O-CB 3.36Å; W17-K21 WeakPolarHBondContact O-CG 3.34Å; W17-K21 PolarHBondContact O-N 2.93Å
18I94.6Very high91.7Very high33 Ų3359.4 Ų59.417%0.16931%0.31CS..Hα-helixtrans-64.6-46.6176.5-65.2164.1000110.9Y3 L6 E14 K15 T16 T20 K21 L22Y3-I18 HydrophobicContact CD2-CB 4.47Å; Y3-I18 HydrophobicContact CD2-CG2 4.33Å; L6-I18 HydrophobicContact CD1-CD1 3.59Å; E14-I18 HydrophobicContact CG-CD1 4.33Å; E14-I18 VanDerWaalsContact O-CG1 3.29Å; E14-I18 WeakPolarHBondContact O-CG1 3.29Å; E14-I18 PolarHBondContact O-N 3.39Å; K15-I18 PolarHBondContact O-N 3.42Å; T16-I18 VanDerWaalsContact C-N 3.34Å; T16-I18 PolarHBondContact O-N 2.91Å; I18-T20 VanDerWaalsContact C-N 3.33Å; I18-T20 PolarHBondContact O-N 2.85Å; I18-K21 PolarHBondContact O-N 3.05Å; I18-L22 HydrophobicContact CG2-CD1 4.16Å; I18-L22 WeakPolarHBondContact O-CG 3.27Å; I18-L22 PolarHBondContact O-N 3.24Å
19T94.6Very high92.2Very high12 Ų1262.2 Ų62.27%0.07433%0.328CS..Hα-helixtrans-66.7-35.317955.50000112.1Y3 K15 T16 L22 G23 G61 F64Y3-T19 HydrophobicContact CD2-CG2 3.91Å; Y3-T19 HydrophobicContact CE2-CG2 3.41Å; Y3-T19 VanDerWaalsContact CE2-CG2 3.41Å; K15-T19 WeakPolarHBondContact O-CG2 3.41Å; K15-T19 PolarHBondContact O-N 2.72Å; K15-T19 PolarHBondContact O-OG1 3.44Å; T16-T19 WeakPolarHBondContact CA-OG1 3.27Å; T16-T19 PolarHBondContact O-N 3.36Å; T16-T19 PolarHBondContact O-OG1 2.88Å; T19-L22 PolarHBondContact O-N 2.86Å; T19-G23 PolarHBondContact O-N 3.5Å; T19-G61 VanDerWaalsContact CB-O 3.27Å; T19-G61 WeakPolarHBondContact CB-O 3.49Å; T19-G61 PolarHBondContact OG1-O 3.26Å; T19-F64 HydrophobicContact CG2-CD1 3.97Å; T19-F64 HydrophobicContact CG2-CE1 4.26Å
20T95.6Very high92.7Very high25 Ų2563.4 Ų63.415%0.15334%0.341CS..Hα-helixtrans-64-44.5173.7-55.90000111.3T16 W17 I18 G23 T24 A58 A62T16-T20 VanDerWaalsContact O-CB 3.27Å; T16-T20 WeakPolarHBondContact O-CB 3.48Å; T16-T20 PolarHBondContact O-N 3.41Å; T16-T20 PolarHBondContact O-OG1 2.9Å; W17-T20 PolarHBondContact O-N 3.44Å; I18-T20 VanDerWaalsContact C-N 3.33Å; I18-T20 PolarHBondContact O-N 2.85Å; T20-G23 PolarHBondContact O-N 3.46Å; T20-T24 WeakPolarHBondContact O-CB 3.39Å; T20-T24 PolarHBondContact O-N 2.97Å; T20-T24 PolarHBondContact O-OG1 3.41Å; T20-A58 HydrophobicContact CG2-CB 4.26Å; T20-A62 HydrophobicContact CG2-CB 4.4Å; T20-A62 VanDerWaalsContact OG1-CA 3.28Å; T20-A62 WeakPolarHBondContact OG1-CA 3.44Å; T20-A62 VanDerWaalsContact OG1-CB 3.3Å; T20-A62 WeakPolarHBondContact OG1-CB 3.2Å; T20-A62 PolarHBondContact OG1-N 2.73Å
21K95.1Very high93.1Very high114 Ų11456.8 Ų56.850%0.49631%0.314SS..Hα-helixtrans-60.8-45.1175.4-80.6176.2165176.80111.9W17 I18 T24 A25W17-K21 WeakPolarHBondContact O-CB 3.36Å; W17-K21 WeakPolarHBondContact O-CG 3.34Å; W17-K21 PolarHBondContact O-N 2.93Å; I18-K21 PolarHBondContact O-N 3.05Å; K21-T24 PolarHBondContact O-N 3.45Å; K21-A25 WeakPolarHBondContact O-CB 3.22Å; K21-A25 PolarHBondContact O-N 2.83Å
22L94.6Very high93.3Very high101 Ų10156.6 Ų56.653%0.52932%0.32SS..Hα-helixtrans-60.8-46.8175.4-72.2170.8000111.2I18 T19 T24 A25 L26I18-L22 HydrophobicContact CG2-CD1 4.16Å; I18-L22 WeakPolarHBondContact O-CG 3.27Å; I18-L22 PolarHBondContact O-N 3.24Å; T19-L22 PolarHBondContact O-N 2.86Å; L22-T24 VanDerWaalsContact C-N 3.32Å; L22-T24 PolarHBondContact O-N 3.34Å; L22-A25 PolarHBondContact O-N 3.1Å; L22-L26 WeakPolarHBondContact O-CG 3.29Å; L22-L26 PolarHBondContact O-N 3.3Å
23G94.1Very high93.6Very high9 Ų964 Ų649%0.09335%0.347CS..Hα-helixtrans-59.4-41.7175.300000112.7T19 T20 L26 G27 M57T19-G23 PolarHBondContact O-N 3.5Å; T20-G23 PolarHBondContact O-N 3.46Å; G23-L26 PolarHBondContact O-N 2.92Å; G23-G27 PolarHBondContact O-N 2.9Å; G23-M57 WeakPolarHBondContact O-CB 3.25Å
24T94.9Very high93.5Very high44 Ų4462.6 Ų62.627%0.2733%0.332SS..Hα-helixtrans-63.2-46.1176.7-53.90000111.4T20 K21 L22 G27 L28 T54 A58T20-T24 WeakPolarHBondContact O-CB 3.39Å; T20-T24 PolarHBondContact O-N 2.97Å; T20-T24 PolarHBondContact O-OG1 3.41Å; K21-T24 PolarHBondContact O-N 3.45Å; L22-T24 VanDerWaalsContact C-N 3.32Å; L22-T24 PolarHBondContact O-N 3.34Å; T24-G27 PolarHBondContact O-N 2.73Å; T24-L28 HydrophobicContact CG2-CD1 4.45Å; T24-L28 WeakPolarHBondContact O-CG 3.37Å; T24-L28 PolarHBondContact O-N 2.81Å; T24-T54 HydrophobicContact CG2-CG2 3.69Å; T24-A58 VanDerWaalsContact OG1-CB 3.28Å; T24-A58 WeakPolarHBondContact OG1-CB 3.5Å
25A94.9Very high93.5Very high53 Ų5360.2 Ų60.244%0.43832%0.322SS..Hα-helixtrans-61.9-46.2178.300000111.6K21 L22 G27 L28 V29K21-A25 WeakPolarHBondContact O-CB 3.22Å; K21-A25 PolarHBondContact O-N 2.83Å; L22-A25 PolarHBondContact O-N 3.1Å; A25-G27 VanDerWaalsContact C-N 3.3Å; A25-G27 PolarHBondContact O-N 3.37Å; A25-L28 PolarHBondContact O-N 3.34Å; A25-V29 WeakPolarHBondContact O-CG2 3.42Å; A25-V29 PolarHBondContact O-N 3Å
26L94Very high93.6Very high113 Ų11365.7 Ų65.759%0.59236%0.355SS*.Hα-helixtrans-63-38175.3-68.7173.9000111.9L22 G23 G30L22-L26 WeakPolarHBondContact O-CG 3.29Å; L22-L26 PolarHBondContact O-N 3.3Å; G23-L26 PolarHBondContact O-N 2.92Å; L26-G30 PolarHBondContact O-N 3.29Å
27G93Very high93.5Very high3 Ų368.3 Ų68.33%0.03138%0.379CS..Hα-helixtrans-62.2-45.7174.900000112.9G23 T24 A25 G30 S31G23-G27 PolarHBondContact O-N 2.9Å; T24-G27 PolarHBondContact O-N 2.73Å; A25-G27 VanDerWaalsContact C-N 3.3Å; A25-G27 PolarHBondContact O-N 3.37Å; G27-G30 PolarHBondContact O-N 3.47Å; G27-S31 VanDerWaalsContact O-CB 3.27Å; G27-S31 WeakPolarHBondContact O-CB 3.31Å; G27-S31 PolarHBondContact O-N 2.9Å; G27-S31 PolarHBondContact O-OG 2.91Å; G27-S31 VanDerWaalsContact O-OG 3.1Å
28L93.4Very high93.4Very high99 Ų9967.3 Ų67.352%0.51838%0.378SS..Hα-helixtrans-63-45.8176.8-75.5171000111.9T24 A25 S31 A32 T54T24-L28 HydrophobicContact CG2-CD1 4.45Å; T24-L28 WeakPolarHBondContact O-CG 3.37Å; T24-L28 PolarHBondContact O-N 2.81Å; A25-L28 PolarHBondContact O-N 3.34Å; L28-S31 PolarHBondContact O-N 3.49Å; L28-A32 WeakPolarHBondContact O-CB 3.35Å; L28-A32 PolarHBondContact O-N 3.37Å; L28-T54 HydrophobicContact CD2-CG2 3.98Å; L28-T54 HydrophobicContact CG-CG2 3.81Å
29V94.4Very high93.2Very high81 Ų8173.6 Ų73.649%0.49141%0.407SS..Hα-helixtrans-62.2-47.8177173.70000110.4A25 S31 A32 Y33A25-V29 WeakPolarHBondContact O-CG2 3.42Å; A25-V29 PolarHBondContact O-N 3Å; V29-S31 PolarHBondContact O-N 3.43Å; V29-A32 WeakPolarHBondContact O-CB 3.43Å; V29-A32 PolarHBondContact O-N 3.15Å; V29-Y33 HydrophobicContact CG1-CD2 3.84Å; V29-Y33 HydrophobicContact CG1-CE2 3.69Å; V29-Y33 VanDerWaalsContact O-CD2 3.26Å; V29-Y33 WeakPolarHBondContact O-CD2 3.4Å; V29-Y33 PolarHBondContact O-N 2.87Å
30G91.7Very high92.9Very high38 Ų3874.4 Ų74.439%0.39241%0.412SS..Hα-helixtrans-60.8-42.3177.400000112.7L26 G27 Y33 H34L26-G30 PolarHBondContact O-N 3.29Å; G27-G30 PolarHBondContact O-N 3.47Å; G30-Y33 PolarHBondContact O-N 3.1Å; G30-H34 WeakPolarHBondContact O-CB 3.23Å; G30-H34 PolarHBondContact O-N 3.37Å
31S91.3Very high92.6Very high11 Ų1180.4 Ų80.48%0.07744%0.444CS..Hα-helixtrans-64.1-39.3174.4-73.50000112.7G27 L28 V29 H34 I35 A50G27-S31 VanDerWaalsContact O-CB 3.27Å; G27-S31 WeakPolarHBondContact O-CB 3.31Å; G27-S31 PolarHBondContact O-N 2.9Å; G27-S31 PolarHBondContact O-OG 2.91Å; G27-S31 VanDerWaalsContact O-OG 3.1Å; L28-S31 PolarHBondContact O-N 3.49Å; V29-S31 PolarHBondContact O-N 3.43Å; S31-H34 PolarHBondContact O-N 3.42Å; S31-I35 VanDerWaalsContact O-CG1 3.29Å; S31-I35 WeakPolarHBondContact O-CG1 3.35Å; S31-I35 PolarHBondContact O-N 3.32Å; S31-A50 PolarHBondContact OG-O 3.45Å
32A92.1Very high92.4Very high55 Ų5577.3 Ų77.346%0.45544%0.436SS..Hα-helixtrans-61-48.8175.700000111.1L28 V29 H34 I35 V36L28-A32 WeakPolarHBondContact O-CB 3.35Å; L28-A32 PolarHBondContact O-N 3.37Å; V29-A32 WeakPolarHBondContact O-CB 3.43Å; V29-A32 PolarHBondContact O-N 3.15Å; A32-H34 VanDerWaalsContact C-N 3.34Å; A32-H34 PolarHBondContact O-N 2.81Å; A32-I35 PolarHBondContact O-N 3.42Å; A32-V36 WeakPolarHBondContact O-CG2 3.33Å; A32-V36 PolarHBondContact O-N 2.97Å
33Y93.6Very high92.2Very high174 Ų17476.2 Ų76.268%0.68244%0.442SS*.Hα-helixtrans-61.5-42175-80.5-71000112.4V29 G30 I35 V36 A37V29-Y33 HydrophobicContact CG1-CD2 3.84Å; V29-Y33 HydrophobicContact CG1-CE2 3.69Å; V29-Y33 VanDerWaalsContact O-CD2 3.26Å; V29-Y33 WeakPolarHBondContact O-CD2 3.4Å; V29-Y33 PolarHBondContact O-N 2.87Å; G30-Y33 PolarHBondContact O-N 3.1Å; Y33-I35 VanDerWaalsContact C-N 3.34Å; Y33-I35 PolarHBondContact O-N 2.85Å; Y33-V36 PolarHBondContact O-N 3.28Å; Y33-A37 WeakPolarHBondContact O-CB 3.29Å; Y33-A37 PolarHBondContact O-N 3.02Å
34H90.8Very high92.1Very high90 Ų9081.4 Ų81.442%0.41747%0.466SS..Hα-helixtrans-62.9-39.7179-175.1-78.4000112.3G30 S31 A32 F38G30-H34 WeakPolarHBondContact O-CB 3.23Å; G30-H34 PolarHBondContact O-N 3.37Å; S31-H34 PolarHBondContact O-N 3.42Å; A32-H34 VanDerWaalsContact C-N 3.34Å; A32-H34 PolarHBondContact O-N 2.81Å; H34-F38 AromaticContact NE2-CD2 3.93Å; H34-F38 WeakPolarHBondContact O-CB 3.39Å; H34-F38 PolarHBondContact O-N 2.83Å
35I92.3Very high91.9Very high43 Ų4382.5 Ų82.522%0.22147%0.468CS..Hα-helixtrans-69.5-38.5177.6-70.5166.3000111.4S31 A32 Y33 F38 Q39 P40 A46 A50S31-I35 VanDerWaalsContact O-CG1 3.29Å; S31-I35 WeakPolarHBondContact O-CG1 3.35Å; S31-I35 PolarHBondContact O-N 3.32Å; A32-I35 PolarHBondContact O-N 3.42Å; Y33-I35 VanDerWaalsContact C-N 3.34Å; Y33-I35 PolarHBondContact O-N 2.85Å; I35-F38 CarbonylContact O-C 3.35Å; I35-Q39 WeakPolarHBondContact O-CA 3.19Å; I35-Q39 PolarHBondContact O-N 3.45Å; I35-P40 HydrophobicContact CG2-CG 4.35Å; I35-A46 HydrophobicContact CD1-CB 4.41Å; I35-A50 HydrophobicContact CD1-CB 3.97Å
36V92.3Very high91.7Very high115 Ų11580.9 Ų80.970%0.69746%0.455SS*.Hα-helixtrans-67.9-42.3177.2172.30000111.2A32 Y33A32-V36 WeakPolarHBondContact O-CG2 3.33Å; A32-V36 PolarHBondContact O-N 2.97Å; Y33-V36 PolarHBondContact O-N 3.28Å
37A93.2Very high91.6Very high71 Ų7179.6 Ų79.659%0.58745%0.452SS*.Hα-helixtrans-73-38.3178.800000112.8Y33Y33-A37 WeakPolarHBondContact O-CB 3.29Å; Y33-A37 PolarHBondContact O-N 3.02Å
38F92Very high91.6Very high129 Ų12984.8 Ų84.857%0.56648%0.475SS*.SBendtrans-124.385.3-178.8-58.9-72.4000110.1H34 I35 R49H34-F38 AromaticContact NE2-CD2 3.93Å; H34-F38 WeakPolarHBondContact O-CB 3.39Å; H34-F38 PolarHBondContact O-N 2.83Å; I35-F38 CarbonylContact O-C 3.35Å; F38-R49 PolarHBondContact O-NH1 3.4Å
39Q88.7Confident91.5Very high166 Ų16684.6 Ų84.678%0.77647%0.468SS*.  trans-58.4127.5-177.5-68.4-167.8-41.100110.9I35I35-Q39 WeakPolarHBondContact O-CA 3.19Å; I35-Q39 PolarHBondContact O-N 3.45Å
40P88.4Confident91.3Very high28 Ų2881.8 Ų81.818%0.18245%0.453CS..  trans-80.3148.6174.330.2-30.3000110.7I35 S42 Q45 A46I35-P40 HydrophobicContact CG2-CG 4.35Å; P40-S42 PolarHBondContact O-N 3.28Å; P40-Q45 HydrophobicContact CB-CB 4.04Å; P40-A46 HydrophobicContact CB-CB 4.3Å; P40-A46 HydrophobicContact CG-CB 3.46Å; P40-A46 VanDerWaalsContact CG-CB 3.46Å
41D89.4Confident91.4Very high152 Ų15283.4 Ų83.481%0.81346%0.455SS*.SBendtrans-71.2-13.8179.9-56.1-48.6000112.7
42S92.3Very high91.5Very high48 Ų4887.4 Ų87.434%0.33648%0.476SS..SBendtrans-148.4154.8179.563.80000113.2P40 I44 Q45 A46P40-S42 PolarHBondContact O-N 3.28Å; S42-I44 VanDerWaalsContact C-N 3.3Å; S42-I44 PolarHBondContact O-N 3.29Å; S42-Q45 PolarHBondContact O-N 3.16Å; S42-Q45 WeakPolarHBondContact OG-CB 3.47Å; S42-Q45 VanDerWaalsContact OG-CG 3.24Å; S42-Q45 WeakPolarHBondContact OG-CG 3.28Å; S42-Q45 PolarHBondContact OG-N 2.97Å; S42-A46 PolarHBondContact O-N 2.87Å; S42-A46 VanDerWaalsContact O-N 3.08Å
43A90.3Very high91.5Very high79 Ų7986.1 Ų86.165%0.65347%0.468SS*.Hα-helixtrans-61.3-36.3176.400000112.7A46 V47A43-A46 VanDerWaalsContact O-CB 3.29Å; A43-A46 WeakPolarHBondContact O-CB 3.43Å; A43-A46 PolarHBondContact O-N 2.65Å; A43-V47 WeakPolarHBondContact O-CG2 3.27Å; A43-V47 PolarHBondContact O-N 3.36Å
44I92.1Very high91.5Very high117 Ų11778.6 Ų78.660%0.644%0.44SS*.Hα-helixtrans-66.7-41.8178.1-64.3-61.1000111.2S42 A46 V47 Q48S42-I44 VanDerWaalsContact C-N 3.3Å; S42-I44 PolarHBondContact O-N 3.29Å; I44-A46 VanDerWaalsContact C-N 3.27Å; I44-A46 PolarHBondContact O-N 3.45Å; I44-V47 PolarHBondContact O-N 2.96Å; I44-Q48 HydrophobicContact CG2-CG 4.38Å; I44-Q48 WeakPolarHBondContact O-CB 3.32Å; I44-Q48 WeakPolarHBondContact O-CG 3.27Å; I44-Q48 PolarHBondContact O-N 2.91Å
45Q90.1Very high91.7Very high67 Ų6778 Ų7831%0.31344%0.443SS..Hα-helixtrans-63-36.7173.9-74.3176.77.100111.6P40 S42 Q48 R49P40-Q45 HydrophobicContact CB-CB 4.04Å; S42-Q45 PolarHBondContact O-N 3.16Å; S42-Q45 WeakPolarHBondContact OG-CB 3.47Å; S42-Q45 VanDerWaalsContact OG-CG 3.24Å; S42-Q45 WeakPolarHBondContact OG-CG 3.28Å; S42-Q45 PolarHBondContact OG-N 2.97Å; Q45-Q48 PolarHBondContact O-N 3.45Å; Q45-R49 WeakPolarHBondContact O-CB 3.43Å; Q45-R49 VanDerWaalsContact O-CG 3.25Å; Q45-R49 WeakPolarHBondContact O-CG 3.27Å; Q45-R49 PolarHBondContact O-N 2.96Å
46A89.6Confident91.8Very high19 Ų1976.9 Ų76.916%0.15744%0.438CS..Hα-helixtrans-59.2-49.4173.800000111.4I35 P40 S42 A43 I44 Q48 R49 A50I35-A46 HydrophobicContact CD1-CB 4.41Å; P40-A46 HydrophobicContact CB-CB 4.3Å; P40-A46 HydrophobicContact CG-CB 3.46Å; P40-A46 VanDerWaalsContact CG-CB 3.46Å; S42-A46 PolarHBondContact O-N 2.87Å; S42-A46 VanDerWaalsContact O-N 3.08Å; A43-A46 VanDerWaalsContact O-CB 3.29Å; A43-A46 WeakPolarHBondContact O-CB 3.43Å; A43-A46 PolarHBondContact O-N 2.65Å; I44-A46 VanDerWaalsContact C-N 3.27Å; I44-A46 PolarHBondContact O-N 3.45Å; A46-Q48 PolarHBondContact O-N 3.48Å; A46-R49 PolarHBondContact O-N 3.26Å; A46-A50 WeakPolarHBondContact O-CB 3.23Å; A46-A50 PolarHBondContact O-N 3.37Å
47V93.4Very high91.9Very high87 Ų8774.9 Ų74.953%0.52742%0.422SS..Hα-helixtrans-63.7-42.3179.3173.20000111.4A43 I44 A50 T51A43-V47 WeakPolarHBondContact O-CG2 3.27Å; A43-V47 PolarHBondContact O-N 3.36Å; I44-V47 PolarHBondContact O-N 2.96Å; V47-A50 PolarHBondContact O-N 3.46Å; V47-T51 VanDerWaalsContact O-CB 3.27Å; V47-T51 WeakPolarHBondContact O-CB 3.46Å; V47-T51 PolarHBondContact O-N 3.46Å; V47-T51 PolarHBondContact O-OG1 2.74Å
48Q92.6Very high92.1Very high112 Ų11272.2 Ų72.252%0.52340%0.4SS..Hα-helixtrans-63.4-44.7177.2-75.2177.4-23.500111.7I44 Q45 A46 T51 N52I44-Q48 HydrophobicContact CG2-CG 4.38Å; I44-Q48 WeakPolarHBondContact O-CB 3.32Å; I44-Q48 WeakPolarHBondContact O-CG 3.27Å; I44-Q48 PolarHBondContact O-N 2.91Å; Q45-Q48 PolarHBondContact O-N 3.45Å; A46-Q48 PolarHBondContact O-N 3.48Å; Q48-T51 PolarHBondContact O-N 2.93Å; Q48-N52 VanDerWaalsContact O-CB 3.29Å; Q48-N52 WeakPolarHBondContact O-CB 3.28Å; Q48-N52 VanDerWaalsContact O-CG 3.26Å; Q48-N52 PolarHBondContact O-N 3.04Å; Q48-N52 PolarHBondContact O-ND2 2.86Å
49R89.9Confident92.3Very high94 Ų9467.3 Ų67.336%0.35538%0.383SS..Hα-helixtrans-61.7-46.8176-73.3177.1-171.8176.95.8111.3F38 Q45 A46 N52 G53F38-R49 PolarHBondContact O-NH1 3.4Å; Q45-R49 WeakPolarHBondContact O-CB 3.43Å; Q45-R49 VanDerWaalsContact O-CG 3.25Å; Q45-R49 WeakPolarHBondContact O-CG 3.27Å; Q45-R49 PolarHBondContact O-N 2.96Å; A46-R49 PolarHBondContact O-N 3.26Å; R49-N52 PolarHBondContact O-N 3.15Å; R49-G53 PolarHBondContact O-N 3.22Å
50A92.2Very high92.6Very high23 Ų2360.2 Ų60.219%0.1935%0.35CS..Hα-helixtrans-61.2-46.6177.900000112.1S31 I35 A46 V47 G53 T54S31-A50 PolarHBondContact OG-O 3.45Å; I35-A50 HydrophobicContact CD1-CB 3.97Å; A46-A50 WeakPolarHBondContact O-CB 3.23Å; A46-A50 PolarHBondContact O-N 3.37Å; V47-A50 PolarHBondContact O-N 3.46Å; A50-G53 PolarHBondContact O-N 3.5Å; A50-T54 WeakPolarHBondContact O-CB 3.41Å; A50-T54 PolarHBondContact O-N 3.49Å; A50-T54 PolarHBondContact O-OG1 2.97Å
51T93.6Very high92.9Very high71 Ų7159.4 Ų59.444%0.43635%0.347SS..Hα-helixtrans-62.4-49.1179.4-56.80000110.7V47 Q48 G53 T54 V55V47-T51 VanDerWaalsContact O-CB 3.27Å; V47-T51 WeakPolarHBondContact O-CB 3.46Å; V47-T51 PolarHBondContact O-N 3.46Å; V47-T51 PolarHBondContact O-OG1 2.74Å; Q48-T51 PolarHBondContact O-N 2.93Å; T51-G53 PolarHBondContact O-N 2.91Å; T51-T54 PolarHBondContact O-N 3.49Å; T51-V55 HydrophobicContact CG2-CG2 4.08Å; T51-V55 VanDerWaalsContact O-CB 3.31Å; T51-V55 WeakPolarHBondContact O-CB 2.93Å; T51-V55 VanDerWaalsContact O-CG2 3.23Å; T51-V55 WeakPolarHBondContact O-CG2 3.34Å; T51-V55 PolarHBondContact O-N 3.46Å
52N92.8Very high93.2Very high96 Ų9653.5 Ų53.551%0.51332%0.319SS..Hα-helixtrans-62.5-42.5-179-76.4-21.1000112.4Q48 R49 T56Q48-N52 VanDerWaalsContact O-CB 3.29Å; Q48-N52 WeakPolarHBondContact O-CB 3.28Å; Q48-N52 VanDerWaalsContact O-CG 3.26Å; Q48-N52 PolarHBondContact O-N 3.04Å; Q48-N52 PolarHBondContact O-ND2 2.86Å; R49-N52 PolarHBondContact O-N 3.15Å; N52-T56 WeakPolarHBondContact O-CB 3.3Å; N52-T56 PolarHBondContact O-N 2.99Å; N52-T56 VanDerWaalsContact O-N 3.16Å; N52-T56 PolarHBondContact O-OG1 2.96Å
53G91.9Very high93.5Very high27 Ų2753.4 Ų53.428%0.27831%0.314SS..Hα-helixtrans-64.2-50.3175.900000111.9R49 A50 T51 T56 M57R49-G53 PolarHBondContact O-N 3.22Å; A50-G53 PolarHBondContact O-N 3.5Å; T51-G53 PolarHBondContact O-N 2.91Å; G53-T56 PolarHBondContact O-N 3.24Å; G53-M57 WeakPolarHBondContact O-CG 3.28Å; G53-M57 PolarHBondContact O-N 2.69Å
54T93.9Very high93.8Very high16 Ų1651.3 Ų51.310%0.09829%0.291CS..Hα-helixtrans-62.7-47.3-177.7-56.30000112.2T24 L28 A50 T51 T56 M57 A58T24-T54 HydrophobicContact CG2-CG2 3.69Å; L28-T54 HydrophobicContact CD2-CG2 3.98Å; L28-T54 HydrophobicContact CG-CG2 3.81Å; A50-T54 WeakPolarHBondContact O-CB 3.41Å; A50-T54 PolarHBondContact O-N 3.49Å; A50-T54 PolarHBondContact O-OG1 2.97Å; T51-T54 PolarHBondContact O-N 3.49Å; T54-T56 VanDerWaalsContact C-N 3.29Å; T54-T56 PolarHBondContact O-N 3.46Å; T54-M57 PolarHBondContact O-N 3.4Å; T54-A58 WeakPolarHBondContact O-CB 3.49Å; T54-A58 PolarHBondContact O-N 2.94Å
55V95.1Very high93.8Very high78 Ų7845.8 Ų45.847%0.47326%0.262SS..Hα-helixtrans-63.4-38178.9170.80000111T51 A58 A59T51-V55 HydrophobicContact CG2-CG2 4.08Å; T51-V55 VanDerWaalsContact O-CB 3.31Å; T51-V55 WeakPolarHBondContact O-CB 2.93Å; T51-V55 VanDerWaalsContact O-CG2 3.23Å; T51-V55 WeakPolarHBondContact O-CG2 3.34Å; T51-V55 PolarHBondContact O-N 3.46Å; V55-A58 PolarHBondContact O-N 3.45Å; V55-A59 VanDerWaalsContact O-CB 3.32Å; V55-A59 WeakPolarHBondContact O-CB 3.41Å; V55-A59 PolarHBondContact O-N 3.3Å
56T94.6Very high94.1Very high20 Ų2046.6 Ų46.612%0.12327%0.267CS..Hα-helixtrans-64.3-46.4177.1-56.20000110.7N52 G53 T54 A59 L60 F94 L95 R98N52-T56 WeakPolarHBondContact O-CB 3.3Å; N52-T56 PolarHBondContact O-N 2.99Å; N52-T56 VanDerWaalsContact O-N 3.16Å; N52-T56 PolarHBondContact O-OG1 2.96Å; G53-T56 PolarHBondContact O-N 3.24Å; T54-T56 VanDerWaalsContact C-N 3.29Å; T54-T56 PolarHBondContact O-N 3.46Å; T56-A59 PolarHBondContact O-N 2.85Å; T56-L60 WeakPolarHBondContact O-CG 3.49Å; T56-L60 PolarHBondContact O-N 2.94Å; T56-F94 HydrophobicContact CG2-CE1 4.46Å; T56-L95 HydrophobicContact CG2-CD1 4.17Å; T56-R98 HydrophobicContact CG2-CB 4.4Å; T56-R98 HydrophobicContact CG2-CG 4.31Å; T56-R98 PolarHBondContact OG1-NE 3.21Å; T56-R98 PolarHBondContact OG1-NH2 2.88Å
57M94.8Very high94.4Very high72 Ų7247.2 Ų47.236%0.35527%0.269SS..Hα-helixtrans-66.9-36.9177.8-65.3-58.7-63.800112.9G23 G53 T54 L60 G61G23-M57 WeakPolarHBondContact O-CB 3.25Å; G53-M57 WeakPolarHBondContact O-CG 3.28Å; G53-M57 PolarHBondContact O-N 2.69Å; T54-M57 PolarHBondContact O-N 3.4Å; M57-L60 HydrophobicContact CE-CD1 4.44Å; M57-L60 PolarHBondContact O-N 2.95Å; M57-L60 HydrophobicContact SD-CD1 3.77Å; M57-G61 PolarHBondContact O-N 2.65Å; M57-G61 VanDerWaalsContact O-N 3.1Å
58A95.9Very high94.4Very high16 Ų1643.1 Ų43.113%0.13224%0.244CC..Hα-helixtrans-61-46.4172.900000111.3T20 T24 T54 V55 L60 G61 A62T20-A58 HydrophobicContact CG2-CB 4.26Å; T24-A58 VanDerWaalsContact OG1-CB 3.28Å; T24-A58 WeakPolarHBondContact OG1-CB 3.5Å; T54-A58 WeakPolarHBondContact O-CB 3.49Å; T54-A58 PolarHBondContact O-N 2.94Å; V55-A58 PolarHBondContact O-N 3.45Å; A58-L60 VanDerWaalsContact C-N 3.34Å; A58-L60 PolarHBondContact O-N 3.48Å; A58-G61 PolarHBondContact O-N 3.33Å; A58-A62 PolarHBondContact O-N 2.97Å
59A96Very high94.4Very high26 Ų2637.8 Ų37.822%0.21522%0.219CC..Hα-helixtrans-63.3-38.1177.400000112.3V55 T56 G61 A62 I63 F94V55-A59 VanDerWaalsContact O-CB 3.32Å; V55-A59 WeakPolarHBondContact O-CB 3.41Å; V55-A59 PolarHBondContact O-N 3.3Å; T56-A59 PolarHBondContact O-N 2.85Å; A59-G61 PolarHBondContact O-N 2.85Å; A59-A62 PolarHBondContact O-N 3.06Å; A59-I63 WeakPolarHBondContact O-CB 3.24Å; A59-I63 VanDerWaalsContact O-CG1 3.24Å; A59-I63 WeakPolarHBondContact O-CG1 3.4Å; A59-I63 PolarHBondContact O-N 3.45Å; A59-F94 HydrophobicContact CB-CD1 4.44Å; A59-F94 HydrophobicContact CB-CE1 3.48Å; A59-F94 VanDerWaalsContact CB-CE1 3.48Å; A59-F94 HydrophobicContact CB-CZ 3.58Å
60L96.1Very high94.6Very high17 Ų1738 Ų389%0.08923%0.227CC..Hα-helixtrans-59.2-46.7172.9-69.2173.3000111.8T56 M57 A58 A62 I63 F64 S91 F94 L95T56-L60 WeakPolarHBondContact O-CG 3.49Å; T56-L60 PolarHBondContact O-N 2.94Å; M57-L60 HydrophobicContact CE-CD1 4.44Å; M57-L60 PolarHBondContact O-N 2.95Å; M57-L60 HydrophobicContact SD-CD1 3.77Å; A58-L60 VanDerWaalsContact C-N 3.34Å; A58-L60 PolarHBondContact O-N 3.48Å; L60-A62 VanDerWaalsContact C-N 3.35Å; L60-A62 PolarHBondContact O-N 3.3Å; L60-I63 PolarHBondContact O-N 3.03Å; L60-F64 VanDerWaalsContact O-CB 3.23Å; L60-F64 WeakPolarHBondContact O-CB 3.19Å; L60-F64 PolarHBondContact O-N 2.86Å; L60-S91 WeakPolarHBondContact CD2-O 3.29Å; L60-F94 HydrophobicContact CD2-CD1 3.77Å; L60-F94 HydrophobicContact CG-CD1 4.33Å; L60-L95 HydrophobicContact CD1-CD1 4.46Å; L60-L95 HydrophobicContact CD2-CB 4.06Å
61G94.5Very high94.6Very high10 Ų1037.4 Ų37.410%0.10322%0.222CC..Hα-helixtrans-62.6-39.4176.500000113T19 M57 A58 A59 G65T19-G61 VanDerWaalsContact CB-O 3.27Å; T19-G61 WeakPolarHBondContact CB-O 3.49Å; T19-G61 PolarHBondContact OG1-O 3.26Å; M57-G61 PolarHBondContact O-N 2.65Å; M57-G61 VanDerWaalsContact O-N 3.1Å; A58-G61 PolarHBondContact O-N 3.33Å; A59-G61 PolarHBondContact O-N 2.85Å; G61-G65 PolarHBondContact O-N 2.83Å
62A96.6Very high94.6Very high28 Ų2834.1 Ų34.123%0.23120%0.202CC..Hα-helixtrans-66.7-48.8177.200000112.1T16 T20 A58 A59 L60 F64 G65 M66T16-A62 HydrophobicContact CG2-CB 4.32Å; T20-A62 HydrophobicContact CG2-CB 4.4Å; T20-A62 VanDerWaalsContact OG1-CA 3.28Å; T20-A62 WeakPolarHBondContact OG1-CA 3.44Å; T20-A62 VanDerWaalsContact OG1-CB 3.3Å; T20-A62 WeakPolarHBondContact OG1-CB 3.2Å; T20-A62 PolarHBondContact OG1-N 2.73Å; A58-A62 PolarHBondContact O-N 2.97Å; A59-A62 PolarHBondContact O-N 3.06Å; L60-A62 VanDerWaalsContact C-N 3.35Å; L60-A62 PolarHBondContact O-N 3.3Å; A62-F64 VanDerWaalsContact C-N 3.33Å; A62-F64 PolarHBondContact O-N 3.27Å; A62-G65 PolarHBondContact O-N 3.41Å; A62-M66 WeakPolarHBondContact O-CB 3.26Å; A62-M66 WeakPolarHBondContact O-CG 3.37Å; A62-M66 PolarHBondContact O-N 3.48Å
63I96.9Very high94.4Very high46 Ų4634.1 Ų34.124%0.23620%0.199CC..Hα-helixtrans-60.6-47178.1-69.9167.5000109.4A59 L60 M66 T67 A90 F94A59-I63 WeakPolarHBondContact O-CB 3.24Å; A59-I63 VanDerWaalsContact O-CG1 3.24Å; A59-I63 WeakPolarHBondContact O-CG1 3.4Å; A59-I63 PolarHBondContact O-N 3.45Å; L60-I63 PolarHBondContact O-N 3.03Å; I63-M66 PolarHBondContact O-N 3.4Å; I63-T67 HydrophobicContact CG2-CG2 4.08Å; I63-T67 VanDerWaalsContact O-CB 3.28Å; I63-T67 WeakPolarHBondContact O-CB 3.47Å; I63-T67 WeakPolarHBondContact O-CG2 3.33Å; I63-T67 PolarHBondContact O-N 2.97Å; I63-T67 PolarHBondContact O-OG1 2.92Å; I63-A90 HydrophobicContact CG2-CB 3.94Å; I63-F94 HydrophobicContact CD1-CB 3.53Å; I63-F94 HydrophobicContact CD1-CD1 3.7Å; I63-F94 HydrophobicContact CD1-CD2 3.45Å; I63-F94 VanDerWaalsContact CD1-CD2 3.45Å; I63-F94 HydrophobicContact CD1-CE1 4.24Å; I63-F94 HydrophobicContact CD1-CE2 4.02Å; I63-F94 HydrophobicContact CD1-CG 3.25Å; I63-F94 HydrophobicContact CD1-CZ 4.38Å
64F96.3Very high94.4Very high36 Ų3636.9 Ų36.916%0.15822%0.22CC..Hα-helixtrans-53.2-57.5175.4176-98.4000111.4T19 L60 A62 M66 T67 T68 Y84 A116T19-F64 HydrophobicContact CG2-CD1 3.97Å; T19-F64 HydrophobicContact CG2-CE1 4.26Å; L60-F64 VanDerWaalsContact O-CB 3.23Å; L60-F64 WeakPolarHBondContact O-CB 3.19Å; L60-F64 PolarHBondContact O-N 2.86Å; A62-F64 VanDerWaalsContact C-N 3.33Å; A62-F64 PolarHBondContact O-N 3.27Å; F64-M66 PolarHBondContact O-N 3.18Å; F64-T67 PolarHBondContact O-N 3.04Å; F64-T67 PolarHBondContact O-OG1 3.48Å; F64-T68 HydrophobicContact CD1-CG2 4.49Å; F64-T68 HydrophobicContact CD2-CG2 4.09Å; F64-T68 HydrophobicContact CE1-CG2 4.16Å; F64-T68 HydrophobicContact CE2-CG2 3.69Å; F64-T68 HydrophobicContact CG-CG2 4.46Å; F64-T68 HydrophobicContact CZ-CG2 3.74Å; F64-T68 WeakPolarHBondContact O-CG2 3.2Å; F64-T68 PolarHBondContact O-N 2.81Å; F64-T68 PolarHBondContact O-OG1 3.05Å; F64-T68 VanDerWaalsContact O-OG1 3.12Å; F64-Y84 HydrophobicContact CE2-CD1 4.49Å; F64-Y84 AromaticContact CZ-CD1 3.72Å; F64-Y84 HydrophobicContact CZ-CD1 3.72Å; F64-Y84 HydrophobicContact CZ-CE1 4.07Å; F64-Y84 HydrophobicContact CZ-CG 4.38Å; F64-A116 HydrophobicContact CE2-CB 3.69Å; F64-A116 HydrophobicContact CZ-CB 4.24Å
65G94.1Very high94.2Very high0 Ų042 Ų420%024%0.237CC..Hα-helixtrans-61.9-39.3-176.200000114.2T16 G61 A62 T68 C69T16-G65 VanDerWaalsContact OG1-C 3.25Å; G61-G65 PolarHBondContact O-N 2.83Å; A62-G65 PolarHBondContact O-N 3.41Å; G65-T68 PolarHBondContact O-OG1 2.82Å; G65-T68 VanDerWaalsContact O-OG1 3.04Å; G65-C69 WeakPolarHBondContact O-CB 3.02Å; G65-C69 PolarHBondContact O-N 3.39Å
66M95Very high93.8Very high84 Ų8445.4 Ų45.441%0.41425%0.252SS..Hα-helixtrans-68-47.1177.3-74.6-67.2-71.900111.3T16 A62 I63 F64 C69 L70T16-M66 HydrophobicContact CG2-CG 3.62Å; T16-M66 HydrophobicContact CG2-SD 4.1Å; T16-M66 PolarHBondContact OG1-N 2.96Å; T16-M66 PolarHBondContact OG1-SD 3.21Å; A62-M66 WeakPolarHBondContact O-CB 3.26Å; A62-M66 WeakPolarHBondContact O-CG 3.37Å; A62-M66 PolarHBondContact O-N 3.48Å; I63-M66 PolarHBondContact O-N 3.4Å; F64-M66 PolarHBondContact O-N 3.18Å; M66-C69 PolarHBondContact O-N 3.07Å; M66-L70 WeakPolarHBondContact O-CB 3.37Å; M66-L70 VanDerWaalsContact O-CG 3.28Å; M66-L70 WeakPolarHBondContact O-CG 3.47Å; M66-L70 PolarHBondContact O-N 3.37Å
67T95.6Very high93.5Very high33 Ų3346 Ų4620%0.20226%0.259CS..Hα-helixtrans-70.2-37.5-175.351.60000112.1I63 F64 C69 A71 G87 A90I63-T67 HydrophobicContact CG2-CG2 4.08Å; I63-T67 VanDerWaalsContact O-CB 3.28Å; I63-T67 WeakPolarHBondContact O-CB 3.47Å; I63-T67 WeakPolarHBondContact O-CG2 3.33Å; I63-T67 PolarHBondContact O-N 2.97Å; I63-T67 PolarHBondContact O-OG1 2.92Å; F64-T67 PolarHBondContact O-N 3.04Å; F64-T67 PolarHBondContact O-OG1 3.48Å; T67-C69 VanDerWaalsContact C-N 3.3Å; T67-C69 PolarHBondContact O-N 3.49Å; T67-A71 WeakPolarHBondContact O-CB 3.41Å; T67-A71 PolarHBondContact O-N 3.34Å; T67-G87 WeakPolarHBondContact OG1-CA 3.03Å; T67-A90 HydrophobicContact CG2-CB 3.75Å
68T94.4Very high92.9Very high1 Ų145.1 Ų45.11%0.00626%0.259CS..Hα-helixtrans-61.4-41.5171.756.30000111.2F64 G65 A72 Y84F64-T68 HydrophobicContact CD1-CG2 4.49Å; F64-T68 HydrophobicContact CD2-CG2 4.09Å; F64-T68 HydrophobicContact CE1-CG2 4.16Å; F64-T68 HydrophobicContact CE2-CG2 3.69Å; F64-T68 HydrophobicContact CG-CG2 4.46Å; F64-T68 HydrophobicContact CZ-CG2 3.74Å; F64-T68 WeakPolarHBondContact O-CG2 3.2Å; F64-T68 PolarHBondContact O-N 2.81Å; F64-T68 PolarHBondContact O-OG1 3.05Å; F64-T68 VanDerWaalsContact O-OG1 3.12Å; G65-T68 PolarHBondContact O-OG1 2.82Å; G65-T68 VanDerWaalsContact O-OG1 3.04Å; T68-A72 WeakPolarHBondContact O-CB 3.48Å; T68-A72 PolarHBondContact O-N 3.35Å; T68-Y84 HydrophobicContact CG2-CD2 4.34Å; T68-Y84 HydrophobicContact CG2-CG 4.36Å
69C92.9Very high92.4Very high0 Ų049.2 Ų49.20%028%0.279CS..Hα-helixtrans-70-42.9-179.5-1540000112.6G9 C12 G65 M66 T67 A72 Q73G9-C69 VanDerWaalsContact CA-SG 3.58Å; C12-C69 WeakPolarHBondContact CA-SG 3.44Å; C12-C69 HydrophobicContact CB-CB 3.64Å; C12-C69 WeakPolarHBondContact CB-SG 3.34Å; C12-C69 WeakPolarHBondContact SG-CB 3.31Å; C12-C69 CovalentContact SG-SG 2.02Å; C12-C69 PolarHBondContact SG-SG 2.71Å; G65-C69 WeakPolarHBondContact O-CB 3.02Å; G65-C69 PolarHBondContact O-N 3.39Å; M66-C69 PolarHBondContact O-N 3.07Å; T67-C69 VanDerWaalsContact C-N 3.3Å; T67-C69 PolarHBondContact O-N 3.49Å; C69-A72 PolarHBondContact O-N 2.9Å; C69-Q73 WeakPolarHBondContact O-CG 3.25Å; C69-Q73 PolarHBondContact O-N 3.17Å
70L93.5Very high92.1Very high97 Ų9750 Ų5051%0.50828%0.28SS..Hα-helixtrans-66.4-39.1177-70.8172.9000111.6M66 Q73 A74M66-L70 WeakPolarHBondContact O-CB 3.37Å; M66-L70 VanDerWaalsContact O-CG 3.28Å; M66-L70 WeakPolarHBondContact O-CG 3.47Å; M66-L70 PolarHBondContact O-N 3.37Å; L70-Q73 PolarHBondContact O-N 2.7Å; L70-A74 VanDerWaalsContact O-CB 3.25Å; L70-A74 WeakPolarHBondContact O-CB 3.41Å; L70-A74 PolarHBondContact O-N 3.1Å
71A93.1Very high91.9Very high11 Ų1150.3 Ų50.39%0.09128%0.283CS..Hα-helixtrans-63.5-42.9174.700000111.5T67 Q73 A74 R75 N83 I86T67-A71 WeakPolarHBondContact O-CB 3.41Å; T67-A71 PolarHBondContact O-N 3.34Å; A71-Q73 PolarHBondContact O-N 3.33Å; A71-A74 PolarHBondContact O-N 2.9Å; A71-R75 WeakPolarHBondContact O-CB 3.42Å; A71-R75 WeakPolarHBondContact O-CG 3.49Å; A71-R75 PolarHBondContact O-N 3.21Å; A71-R75 VanDerWaalsContact O-N 3.07Å; A71-N83 HydrophobicContact CB-CB 4.16Å; A71-I86 HydrophobicContact CB-CB 4.47Å; A71-I86 HydrophobicContact CB-CD1 4.14Å; A71-I86 HydrophobicContact CB-CG2 4.32Å
72A91.9Very high91.9Very high3 Ų352.1 Ų52.13%0.02529%0.291CS..Hα-helixtrans-60.5-42.2175.600000112.5T68 C69 D76 A77T68-A72 WeakPolarHBondContact O-CB 3.48Å; T68-A72 PolarHBondContact O-N 3.35Å; C69-A72 PolarHBondContact O-N 2.9Å; A72-D76 PolarHBondContact O-N 2.8Å; A72-A77 PolarHBondContact O-N 3.06Å
73Q89.3Confident91.8Very high95 Ų9550.9 Ų50.944%0.44428%0.281SS..Hα-helixtrans-68.4-47.3175.4-74.2-177.656.600112.3G9 C12 C69 L70 A71 R75 D76G9-Q73 VanDerWaalsContact O-CD 3.28Å; G9-Q73 WeakPolarHBondContact O-CG 3.24Å; G9-Q73 PolarHBondContact O-NE2 2.96Å; C12-Q73 PolarHBondContact SG-NE2 3.48Å; C69-Q73 WeakPolarHBondContact O-CG 3.25Å; C69-Q73 PolarHBondContact O-N 3.17Å; L70-Q73 PolarHBondContact O-N 2.7Å; A71-Q73 PolarHBondContact O-N 3.33Å; Q73-R75 PolarHBondContact O-N 3.2Å; Q73-D76 PolarHBondContact O-N 2.97Å
74A91.5Very high91.7Very high86 Ų8648.9 Ų48.971%0.71127%0.27SS*.Hα-helixtrans-67.9-24.2-175.100000113.5L70 A71L70-A74 VanDerWaalsContact O-CB 3.25Å; L70-A74 WeakPolarHBondContact O-CB 3.41Å; L70-A74 PolarHBondContact O-N 3.1Å; A71-A74 PolarHBondContact O-N 2.9Å
75R89.4Confident91.7Very high124 Ų12450.3 Ų50.347%0.46828%0.277SS..THydrogen-bonded Turntrans-100-3.8-179.7-67.4170.260.695.6-4.1113.5A71 Q73 A77 D80 N83A71-R75 WeakPolarHBondContact O-CB 3.42Å; A71-R75 WeakPolarHBondContact O-CG 3.49Å; A71-R75 PolarHBondContact O-N 3.21Å; A71-R75 VanDerWaalsContact O-N 3.07Å; Q73-R75 PolarHBondContact O-N 3.2Å; R75-A77 HydrophobicContact CB-CB 4.11Å; R75-A77 WeakPolarHBondContact O-CB 3.49Å; R75-A77 PolarHBondContact O-N 3.45Å; R75-D80 IonicContact CZ-OD2 3.69Å; R75-D80 IonicContact NE-OD2 3.77Å; R75-D80 IonicContact NH2-OD2 2.79Å; R75-D80 PolarHBondContact NH2-OD2 3.49Å; R75-N83 WeakPolarHBondContact CD-OD1 3.28Å
76D87.3Confident91.8Very high148 Ų14853.3 Ų53.379%0.79129%0.292SS*.THydrogen-bonded Turntrans4729.5-170.4-70-54000113.3A72 Q73A72-D76 PolarHBondContact O-N 2.8Å; Q73-D76 PolarHBondContact O-N 2.97Å
77A88.2Confident91.8Very high32 Ų3249.3 Ų49.326%0.26427%0.272SS..  trans-130.970-171.600000109.9A72 R75 D79 D80 N83A72-A77 PolarHBondContact O-N 3.06Å; R75-A77 HydrophobicContact CB-CB 4.11Å; R75-A77 WeakPolarHBondContact O-CB 3.49Å; R75-A77 PolarHBondContact O-N 3.45Å; A77-D79 VanDerWaalsContact C-N 3.3Å; A77-D79 PolarHBondContact O-N 3.14Å; A77-D80 HydrophobicContact CB-CB 4.05Å; A77-D80 WeakPolarHBondContact O-CB 3.48Å; A77-D80 PolarHBondContact O-N 3.29Å; A77-N83 PolarHBondContact O-ND2 3.13Å
78P82.6Confident91.8Very high54 Ų5447.8 Ų47.835%0.35126%0.263SS..THydrogen-bonded Turntrans-65.1-29.2-16823.9-33.9000114.4E8E8-P78 HydrophobicContact CB-CB 3.93Å; E8-P78 WeakPolarHBondContact CB-O 3.33Å
79D85.2Confident91.9Very high102 Ų10249.1 Ų49.155%0.54527%0.272SS..THydrogen-bonded Turntrans-91-3.5-178.6-71.8-52.1000114.5A77 P81 K120 M124A77-D79 VanDerWaalsContact C-N 3.3Å; A77-D79 PolarHBondContact O-N 3.14Å; D79-P81 VanDerWaalsContact O-CD 3.32Å; D79-P81 WeakPolarHBondContact O-CD 3.46Å; D79-K120 WeakPolarHBondContact O-CE 3.43Å; D79-K120 IonicContact OD1-NZ 3.69Å; D79-K120 PolarHBondContact OD1-NZ 3.27Å; D79-M124 VanDerWaalsContact O-SD 3.42Å
80D90.5Very high92Very high44 Ų4450.6 Ų50.624%0.23529%0.285CS..  trans-66.7118.9-179-172.6-9.1000111R75 A77 V82 N83R75-D80 IonicContact CZ-OD2 3.69Å; R75-D80 IonicContact NE-OD2 3.77Å; R75-D80 IonicContact NH2-OD2 2.79Å; R75-D80 PolarHBondContact NH2-OD2 3.49Å; A77-D80 HydrophobicContact CB-CB 4.05Å; A77-D80 WeakPolarHBondContact O-CB 3.48Å; A77-D80 PolarHBondContact O-N 3.29Å; D80-V82 PolarHBondContact O-N 2.95Å; D80-V82 VanDerWaalsContact O-N 3.13Å; D80-V82 WeakPolarHBondContact OD1-CB 3.29Å; D80-V82 VanDerWaalsContact OD1-CG2 3.28Å; D80-V82 WeakPolarHBondContact OD1-CG2 3.49Å; D80-V82 PolarHBondContact OD1-N 3.32Å; D80-N83 WeakPolarHBondContact O-CB 3.21Å; D80-N83 PolarHBondContact O-N 2.75Å; D80-N83 PolarHBondContact O-ND2 3.12Å
81P92.2Very high92.1Very high23 Ų2346.3 Ų46.315%0.14926%0.263CS..THydrogen-bonded Turntrans-64.2-14.9178.324-31.1000113.4D79 N83 Y84 F85 M117 K120 V121 M124D79-P81 VanDerWaalsContact O-CD 3.32Å; D79-P81 WeakPolarHBondContact O-CD 3.46Å; P81-N83 PolarHBondContact O-N 2.77Å; P81-Y84 WeakPolarHBondContact O-CB 3.11Å; P81-Y84 PolarHBondContact O-N 3.23Å; P81-Y84 VanDerWaalsContact O-N 3.13Å; P81-F85 PolarHBondContact O-N 2.98Å; P81-M117 HydrophobicContact CB-CG 3.97Å; P81-M117 HydrophobicContact CG-CE 4.44Å; P81-K120 HydrophobicContact CB-CB 4.11Å; P81-K120 HydrophobicContact CB-CG 3.92Å; P81-V121 HydrophobicContact CB-CG2 3.82Å; P81-V121 HydrophobicContact CG-CG2 3.92Å; P81-M124 HydrophobicContact CB-CE 4.09Å; P81-M124 HydrophobicContact CG-CE 3.73Å
82V94Very high92.2Very high48 Ų4845.8 Ų45.829%0.29126%0.258SS..Hα-helixtrans-61.3-29171176.50000111.8D80 Y84 F85 I86D80-V82 PolarHBondContact O-N 2.95Å; D80-V82 VanDerWaalsContact O-N 3.13Å; D80-V82 WeakPolarHBondContact OD1-CB 3.29Å; D80-V82 VanDerWaalsContact OD1-CG2 3.28Å; D80-V82 WeakPolarHBondContact OD1-CG2 3.49Å; D80-V82 PolarHBondContact OD1-N 3.32Å; V82-Y84 VanDerWaalsContact C-N 3.27Å; V82-Y84 PolarHBondContact O-N 3.32Å; V82-F85 WeakPolarHBondContact O-CB 3.44Å; V82-F85 PolarHBondContact O-N 3.35Å; V82-F85 VanDerWaalsContact O-N 3.17Å; V82-I86 HydrophobicContact CG1-CD1 4.07Å; V82-I86 HydrophobicContact CG1-CG1 4.36Å; V82-I86 WeakPolarHBondContact O-CG1 3.44Å; V82-I86 PolarHBondContact O-N 3.44Å
83N94.2Very high92.4Very high2 Ų249.7 Ų49.71%0.01128%0.282CS..Hα-helixtrans-61.5-39.2175.2-61.6-30.9000111.5A71 R75 A77 D80 P81 I86 G87A71-N83 HydrophobicContact CB-CB 4.16Å; R75-N83 WeakPolarHBondContact CD-OD1 3.28Å; A77-N83 PolarHBondContact O-ND2 3.13Å; D80-N83 WeakPolarHBondContact O-CB 3.21Å; D80-N83 PolarHBondContact O-N 2.75Å; D80-N83 PolarHBondContact O-ND2 3.12Å; P81-N83 PolarHBondContact O-N 2.77Å; N83-I86 PolarHBondContact O-N 3.06Å; N83-G87 PolarHBondContact O-N 2.66Å
84Y94.6Very high92.7Very high4 Ų447.9 Ų47.92%0.01627%0.272CS..Hα-helixtrans-70.7-35.6176.8-83.3-121.5000111.5Y3 W4 E8 F64 T68 P81 V82 G87 G88 A116 K120Y3-Y84 HydrophobicContact CE1-CE1 4.28Å; Y3-Y84 VanDerWaalsContact CE1-OH 3.28Å; Y3-Y84 WeakPolarHBondContact CE1-OH 3.32Å; Y3-Y84 PolarHBondContact OH-OH 3.29Å; Y3-Y84 VanDerWaalsContact OH-OH 3.13Å; W4-Y84 HydrophobicContact CH2-CE1 4.01Å; W4-Y84 HydrophobicContact CZ3-CE1 4.25Å; W4-Y84 WeakPolarHBondContact CZ3-OH 3.48Å; E8-Y84 PolarHBondContact OE1-OH 3.44Å; F64-Y84 HydrophobicContact CE2-CD1 4.49Å; F64-Y84 AromaticContact CZ-CD1 3.72Å; F64-Y84 HydrophobicContact CZ-CD1 3.72Å; F64-Y84 HydrophobicContact CZ-CE1 4.07Å; F64-Y84 HydrophobicContact CZ-CG 4.38Å; T68-Y84 HydrophobicContact CG2-CD2 4.34Å; T68-Y84 HydrophobicContact CG2-CG 4.36Å; P81-Y84 WeakPolarHBondContact O-CB 3.11Å; P81-Y84 PolarHBondContact O-N 3.23Å; P81-Y84 VanDerWaalsContact O-N 3.13Å; V82-Y84 VanDerWaalsContact C-N 3.27Å; V82-Y84 PolarHBondContact O-N 3.32Å; Y84-G87 PolarHBondContact O-N 3.04Å; Y84-G88 PolarHBondContact O-N 2.93Å; Y84-A116 WeakPolarHBondContact CB-O 3.06Å; Y84-A116 VanDerWaalsContact O-CB 3.31Å; Y84-A116 WeakPolarHBondContact O-CB 3.28Å; Y84-K120 HydrophobicContact CD1-CB 3.87Å; Y84-K120 HydrophobicContact CD2-CB 4.1Å; Y84-K120 HydrophobicContact CD2-CD 4.28Å; Y84-K120 HydrophobicContact CD2-CG 4.1Å; Y84-K120 HydrophobicContact CE1-CB 4.23Å; Y84-K120 HydrophobicContact CE2-CB 4.46Å; Y84-K120 HydrophobicContact CE2-CD 3.93Å; Y84-K120 HydrophobicContact CE2-CG 4.26Å; Y84-K120 HydrophobicContact CG-CB 3.81Å; Y84-K120 HydrophobicContact CG-CG 4.32Å
85F95.9Very high92.8Very high65 Ų6546 Ų4629%0.28525%0.25SC..Hα-helixtrans-60.6-47.4171.5-178.1-90.8000111.8P81 V82 G87 G88 C89 G113 T114 M117P81-F85 PolarHBondContact O-N 2.98Å; V82-F85 WeakPolarHBondContact O-CB 3.44Å; V82-F85 PolarHBondContact O-N 3.35Å; V82-F85 VanDerWaalsContact O-N 3.17Å; F85-G87 VanDerWaalsContact C-N 3.31Å; F85-G87 PolarHBondContact O-N 3.01Å; F85-G88 PolarHBondContact O-N 3.08Å; F85-C89 WeakPolarHBondContact O-CB 3.29Å; F85-C89 PolarHBondContact O-N 3.2Å; F85-G113 WeakPolarHBondContact CA-O 3.37Å; F85-G113 WeakPolarHBondContact CD2-O 3.43Å; F85-T114 HydrophobicContact CE2-CG2 4.04Å; F85-M117 HydrophobicContact CB-CB 4.21Å
86I95.8Very high93Very high64 Ų6440.3 Ų40.333%0.32823%0.23SC..Hα-helixtrans-59.6-45.1178.2-67.7165.2000110A71 V82 N83 C89 A90A71-I86 HydrophobicContact CB-CB 4.47Å; A71-I86 HydrophobicContact CB-CD1 4.14Å; A71-I86 HydrophobicContact CB-CG2 4.32Å; V82-I86 HydrophobicContact CG1-CD1 4.07Å; V82-I86 HydrophobicContact CG1-CG1 4.36Å; V82-I86 WeakPolarHBondContact O-CG1 3.44Å; V82-I86 PolarHBondContact O-N 3.44Å; N83-I86 PolarHBondContact O-N 3.06Å; I86-C89 PolarHBondContact O-N 2.91Å; I86-A90 WeakPolarHBondContact O-CB 3.32Å; I86-A90 PolarHBondContact O-N 2.89Å
87G95.4Very high93.4Very high0 Ų036.2 Ų36.20%022%0.217CC..Hα-helixtrans-68.2-39179.600000113.9T67 N83 Y84 F85 A90 S91T67-G87 WeakPolarHBondContact OG1-CA 3.03Å; N83-G87 PolarHBondContact O-N 2.66Å; Y84-G87 PolarHBondContact O-N 3.04Å; F85-G87 VanDerWaalsContact C-N 3.31Å; F85-G87 PolarHBondContact O-N 3.01Å; G87-A90 PolarHBondContact O-N 3.46Å; G87-S91 PolarHBondContact O-N 3.22Å
88G95.4Very high93.6Very high1 Ų139.8 Ų39.81%0.0122%0.224CC..Hα-helixtrans-61.9-44172.200000111.5Y84 F85 S91 G92Y84-G88 PolarHBondContact O-N 2.93Å; F85-G88 PolarHBondContact O-N 3.08Å; G88-S91 PolarHBondContact O-N 2.94Å; G88-S91 PolarHBondContact O-OG 3Å; G88-G92 PolarHBondContact O-N 2.88Å
89C96.3Very high94.1Very high28 Ų2840.6 Ų40.619%0.18923%0.227CC..Hα-helixtrans-63-45.1177.1-178.30000112.5F85 I86 S91 G92 V93 C109F85-C89 WeakPolarHBondContact O-CB 3.29Å; F85-C89 PolarHBondContact O-N 3.2Å; I86-C89 PolarHBondContact O-N 2.91Å; C89-S91 VanDerWaalsContact C-N 3.3Å; C89-S91 PolarHBondContact O-N 3.45Å; C89-G92 WeakPolarHBondContact O-CA 3.39Å; C89-G92 PolarHBondContact O-N 3.22Å; C89-V93 WeakPolarHBondContact O-CG2 3.13Å; C89-V93 PolarHBondContact O-N 3.35Å; C89-C109 HydrophobicContact CB-CB 3.97Å; C89-C109 WeakPolarHBondContact CB-SG 3.46Å; C89-C109 WeakPolarHBondContact SG-CB 3.27Å; C89-C109 CovalentContact SG-SG 2.04Å; C89-C109 PolarHBondContact SG-SG 3.46Å
90A96.7Very high94.5Very high32 Ų3244.3 Ų44.326%0.26424%0.241SC..Hα-helixtrans-59.8-41.2177.700000112I63 T67 I86 G87 V93 F94I63-A90 HydrophobicContact CG2-CB 3.94Å; T67-A90 HydrophobicContact CG2-CB 3.75Å; I86-A90 WeakPolarHBondContact O-CB 3.32Å; I86-A90 PolarHBondContact O-N 2.89Å; G87-A90 PolarHBondContact O-N 3.46Å; A90-V93 PolarHBondContact O-N 3.48Å; A90-F94 PolarHBondContact O-N 2.92Å; A90-F94 VanDerWaalsContact O-N 3.08Å
91S95.7Very high94.7Very high7 Ų744 Ų445%0.04924%0.242CC..Hα-helixtrans-63.6-41.9173.177.20000111.8L60 G87 G88 C89 V93 F94 L95L60-S91 WeakPolarHBondContact CD2-O 3.29Å; G87-S91 PolarHBondContact O-N 3.22Å; G88-S91 PolarHBondContact O-N 2.94Å; G88-S91 PolarHBondContact O-OG 3Å; C89-S91 VanDerWaalsContact C-N 3.3Å; C89-S91 PolarHBondContact O-N 3.45Å; S91-V93 PolarHBondContact O-N 2.69Å; S91-F94 WeakPolarHBondContact O-CB 3.46Å; S91-F94 PolarHBondContact O-N 3.37Å; S91-L95 PolarHBondContact O-N 3.47Å
92G94.3Very high94.7Very high0 Ų047 Ų470%027%0.269CS..Hα-helixtrans-62.7-41.3176.400000113.6G88 C89 F94 L95 G96G88-G92 PolarHBondContact O-N 2.88Å; C89-G92 WeakPolarHBondContact O-CA 3.39Å; C89-G92 PolarHBondContact O-N 3.22Å; G92-F94 VanDerWaalsContact C-N 3.34Å; G92-F94 PolarHBondContact O-N 3.46Å; G92-L95 WeakPolarHBondContact O-CB 3.45Å; G92-L95 PolarHBondContact O-N 3Å; G92-G96 PolarHBondContact O-N 3.25Å
93V95.9Very high94.7Very high84 Ų8451.6 Ų51.651%0.50929%0.289SS..Hα-helixtrans-62.3-42.6174.1173.50000110.9C89 A90 S91 L95 G96 A97 C109C89-V93 WeakPolarHBondContact O-CG2 3.13Å; C89-V93 PolarHBondContact O-N 3.35Å; A90-V93 PolarHBondContact O-N 3.48Å; S91-V93 PolarHBondContact O-N 2.69Å; V93-L95 VanDerWaalsContact C-N 3.33Å; V93-L95 PolarHBondContact O-N 3.06Å; V93-G96 WeakPolarHBondContact O-CA 3.34Å; V93-G96 PolarHBondContact O-N 3.24Å; V93-G96 VanDerWaalsContact O-N 3.14Å; V93-A97 PolarHBondContact O-N 2.92Å; V93-C109 HydrophobicContact CG2-CB 4.33Å
94F96.3Very high94.7Very high58 Ų5853.8 Ų53.825%0.25430%0.303SS..Hα-helixtrans-61.5-39.9174.4174-98.2000112.4T56 A59 L60 I63 A90 S91 G92 G96 A97 R98T56-F94 HydrophobicContact CG2-CE1 4.46Å; A59-F94 HydrophobicContact CB-CD1 4.44Å; A59-F94 HydrophobicContact CB-CE1 3.48Å; A59-F94 VanDerWaalsContact CB-CE1 3.48Å; A59-F94 HydrophobicContact CB-CZ 3.58Å; L60-F94 HydrophobicContact CD2-CD1 3.77Å; L60-F94 HydrophobicContact CG-CD1 4.33Å; I63-F94 HydrophobicContact CD1-CB 3.53Å; I63-F94 HydrophobicContact CD1-CD1 3.7Å; I63-F94 HydrophobicContact CD1-CD2 3.45Å; I63-F94 VanDerWaalsContact CD1-CD2 3.45Å; I63-F94 HydrophobicContact CD1-CE1 4.24Å; I63-F94 HydrophobicContact CD1-CE2 4.02Å; I63-F94 HydrophobicContact CD1-CG 3.25Å; I63-F94 HydrophobicContact CD1-CZ 4.38Å; A90-F94 PolarHBondContact O-N 2.92Å; A90-F94 VanDerWaalsContact O-N 3.08Å; S91-F94 WeakPolarHBondContact O-CB 3.46Å; S91-F94 PolarHBondContact O-N 3.37Å; G92-F94 VanDerWaalsContact C-N 3.34Å; G92-F94 PolarHBondContact O-N 3.46Å; F94-G96 VanDerWaalsContact C-N 3.3Å; F94-G96 PolarHBondContact O-N 3.2Å; F94-A97 WeakPolarHBondContact O-CB 3.47Å; F94-A97 PolarHBondContact O-N 2.68Å; F94-R98 HydrophobicContact CD1-CG 4.09Å; F94-R98 HydrophobicContact CD2-CG 4.44Å; F94-R98 HydrophobicContact CE1-CG 3.58Å; F94-R98 HydrophobicContact CE2-CG 3.98Å; F94-R98 HydrophobicContact CG-CG 4.5Å; F94-R98 HydrophobicContact CZ-CG 3.53Å; F94-R98 WeakPolarHBondContact O-CG 3.29Å; F94-R98 PolarHBondContact O-N 2.92Å
95L93.9Very high94.6Very high45 Ų4554 Ų5424%0.23631%0.305CS..Hα-helixtrans-61.1-41.4173.5-174.959.6000111.5T56 L60 S91 G92 V93 A97 R98 T99 A108T56-L95 HydrophobicContact CG2-CD1 4.17Å; L60-L95 HydrophobicContact CD1-CD1 4.46Å; L60-L95 HydrophobicContact CD2-CB 4.06Å; S91-L95 PolarHBondContact O-N 3.47Å; G92-L95 WeakPolarHBondContact O-CB 3.45Å; G92-L95 PolarHBondContact O-N 3Å; V93-L95 VanDerWaalsContact C-N 3.33Å; V93-L95 PolarHBondContact O-N 3.06Å; L95-A97 VanDerWaalsContact C-N 3.34Å; L95-A97 PolarHBondContact O-N 2.86Å; L95-R98 PolarHBondContact O-N 2.93Å; L95-T99 HydrophobicContact CD1-CG2 4.24Å; L95-T99 WeakPolarHBondContact O-CB 3.3Å; L95-T99 WeakPolarHBondContact O-CG2 3.41Å; L95-T99 PolarHBondContact O-N 2.87Å; L95-T99 PolarHBondContact O-OG1 2.92Å; L95-A108 HydrophobicContact CD2-CB 4.16Å
96G93.3Very high94.5Very high5 Ų554.9 Ų54.95%0.05232%0.317CS..Hα-helixtrans-59.4-43.2172.900000112.7G92 V93 F94 T99 H100 S101G92-G96 PolarHBondContact O-N 3.25Å; V93-G96 WeakPolarHBondContact O-CA 3.34Å; V93-G96 PolarHBondContact O-N 3.24Å; V93-G96 VanDerWaalsContact O-N 3.14Å; F94-G96 VanDerWaalsContact C-N 3.3Å; F94-G96 PolarHBondContact O-N 3.2Å; G96-T99 CarbonylContact O-C 3.57Å; G96-T99 PolarHBondContact O-N 3.47Å; G96-T99 PolarHBondContact O-OG1 3.31Å; G96-H100 PolarHBondContact O-N 3.05Å; G96-S101 WeakPolarHBondContact CA-O 3.43Å; G96-S101 PolarHBondContact O-N 3.08Å
97A94.9Very high94.5Very high62 Ų6255.9 Ų55.951%0.51233%0.326SS..Hα-helixtrans-63.6-42.6175.300000112.1V93 F94 L95 T99 H100V93-A97 PolarHBondContact O-N 2.92Å; F94-A97 WeakPolarHBondContact O-CB 3.47Å; F94-A97 PolarHBondContact O-N 2.68Å; L95-A97 VanDerWaalsContact C-N 3.34Å; L95-A97 PolarHBondContact O-N 2.86Å; A97-T99 VanDerWaalsContact C-N 3.32Å; A97-T99 PolarHBondContact O-N 3.13Å; A97-H100 PolarHBondContact O-N 3.14Å
98R93.2Very high94.5Very high108 Ų10856.6 Ų56.641%0.40833%0.331SS..Hα-helixtrans-67.3-30.6177.4-72.7-73.1-77.8164.6-7.5113.5T56 F94 L95T56-R98 HydrophobicContact CG2-CB 4.4Å; T56-R98 HydrophobicContact CG2-CG 4.31Å; T56-R98 PolarHBondContact OG1-NE 3.21Å; T56-R98 PolarHBondContact OG1-NH2 2.88Å; F94-R98 HydrophobicContact CD1-CG 4.09Å; F94-R98 HydrophobicContact CD2-CG 4.44Å; F94-R98 HydrophobicContact CE1-CG 3.58Å; F94-R98 HydrophobicContact CE2-CG 3.98Å; F94-R98 HydrophobicContact CG-CG 4.5Å; F94-R98 HydrophobicContact CZ-CG 3.53Å; F94-R98 WeakPolarHBondContact O-CG 3.29Å; F94-R98 PolarHBondContact O-N 2.92Å; L95-R98 PolarHBondContact O-N 2.93Å
99T92.8Very high94.5Very high70 Ų7057.4 Ų57.443%0.42934%0.337SS..THydrogen-bonded Turntrans-952178.255.50000113.2L95 G96 A97 S101L95-T99 HydrophobicContact CD1-CG2 4.24Å; L95-T99 WeakPolarHBondContact O-CB 3.3Å; L95-T99 WeakPolarHBondContact O-CG2 3.41Å; L95-T99 PolarHBondContact O-N 2.87Å; L95-T99 PolarHBondContact O-OG1 2.92Å; G96-T99 CarbonylContact O-C 3.57Å; G96-T99 PolarHBondContact O-N 3.47Å; G96-T99 PolarHBondContact O-OG1 3.31Å; A97-T99 VanDerWaalsContact C-N 3.32Å; A97-T99 PolarHBondContact O-N 3.13Å; T99-S101 PolarHBondContact O-N 2.95Å
100H94.2Very high94.5Very high181 Ų18161.1 Ų61.184%0.83835%0.354SS*.THydrogen-bonded Turntrans52.236-176.8-60.3-82.9000113.7G96 A97G96-H100 PolarHBondContact O-N 3.05Å; A97-H100 PolarHBondContact O-N 3.14Å
101S93.9Very high94.5Very high36 Ų3661 Ų6125%0.25236%0.355SS..  trans-134.8115.3-175.5173.10000111.6G96 T99 M103 T104 G105G96-S101 WeakPolarHBondContact CA-O 3.43Å; G96-S101 PolarHBondContact O-N 3.08Å; T99-S101 PolarHBondContact O-N 2.95Å; S101-M103 VanDerWaalsContact C-N 3.29Å; S101-M103 PolarHBondContact O-N 3.29Å; S101-T104 VanDerWaalsContact CB-OG1 3.26Å; S101-T104 WeakPolarHBondContact CB-OG1 3.36Å; S101-T104 PolarHBondContact O-N 3.3Å; S101-T104 PolarHBondContact OG-N 3.13Å; S101-T104 VanDerWaalsContact OG-N 3.1Å; S101-T104 PolarHBondContact OG-OG1 3.2Å; S101-G105 PolarHBondContact O-N 2.93Å
102A92.9Very high94.5Very high86 Ų8663.7 Ų63.771%0.71137%0.369SS*.Hα-helixtrans-63.8-36.5175.100000111.8G105 T106A102-G105 PolarHBondContact O-N 3.49Å; A102-T106 PolarHBondContact O-N 3.42Å; A102-T106 PolarHBondContact O-OG1 3.39Å; A102-T106 VanDerWaalsContact O-OG1 3.08Å
103M94.1Very high94.5Very high145 Ų14563.7 Ų63.771%0.71437%0.369SS*.Hα-helixtrans-66.4-42.1177.7-174.7179.7-68.200111.6S101 G105 T106 T107S101-M103 VanDerWaalsContact C-N 3.29Å; S101-M103 PolarHBondContact O-N 3.29Å; M103-G105 VanDerWaalsContact C-N 3.3Å; M103-G105 PolarHBondContact O-N 3.46Å; M103-T106 PolarHBondContact O-OG1 2.89Å; M103-T106 VanDerWaalsContact O-OG1 3.14Å; M103-T107 WeakPolarHBondContact O-CB 3.42Å; M103-T107 VanDerWaalsContact O-CG2 3.32Å; M103-T107 WeakPolarHBondContact O-CG2 3.48Å; M103-T107 PolarHBondContact O-N 2.83Å; M103-T107 PolarHBondContact O-OG1 3.32Å
104T93Very high94.5Very high49 Ų4962 Ų6230%0.30136%0.359SS..Hα-helixtrans-64.4-39.7174.8-520000110.3S101 T107 A108S101-T104 VanDerWaalsContact CB-OG1 3.26Å; S101-T104 WeakPolarHBondContact CB-OG1 3.36Å; S101-T104 PolarHBondContact O-N 3.3Å; S101-T104 PolarHBondContact OG-N 3.13Å; S101-T104 VanDerWaalsContact OG-N 3.1Å; S101-T104 PolarHBondContact OG-OG1 3.2Å; T104-T107 PolarHBondContact O-OG1 3.32Å; T104-A108 WeakPolarHBondContact O-CB 3.38Å; T104-A108 PolarHBondContact O-N 3.42Å
105G92.9Very high94.5Very high7 Ų764.5 Ų64.57%0.07238%0.375CS..Hα-helixtrans-62.7-47.3177.300000113.8S101 A102 M103 C109S101-G105 PolarHBondContact O-N 2.93Å; A102-G105 PolarHBondContact O-N 3.49Å; M103-G105 VanDerWaalsContact C-N 3.3Å; M103-G105 PolarHBondContact O-N 3.46Å; G105-C109 VanDerWaalsContact O-CB 3.27Å; G105-C109 WeakPolarHBondContact O-CB 3.44Å; G105-C109 PolarHBondContact O-N 2.87Å
106T94.3Very high94.6Very high85 Ų8562.9 Ų62.952%0.52137%0.368SS..Hα-helixtrans-69.3-44.7-179.447.70000112.2A102 M103 C109 I110A102-T106 PolarHBondContact O-N 3.42Å; A102-T106 PolarHBondContact O-OG1 3.39Å; A102-T106 VanDerWaalsContact O-OG1 3.08Å; M103-T106 PolarHBondContact O-OG1 2.89Å; M103-T106 VanDerWaalsContact O-OG1 3.14Å; T106-C109 PolarHBondContact O-N 3.17Å; T106-I110 PolarHBondContact O-N 3.47Å; T106-I110 VanDerWaalsContact O-N 3.13Å
107T95.6Very high94.6Very high85 Ų8565.7 Ų65.752%0.52138%0.38SS..Hα-helixtrans-64.3-43.1176.753.30000111.7M103 T104 I110 G111M103-T107 WeakPolarHBondContact O-CB 3.42Å; M103-T107 VanDerWaalsContact O-CG2 3.32Å; M103-T107 WeakPolarHBondContact O-CG2 3.48Å; M103-T107 PolarHBondContact O-N 2.83Å; M103-T107 PolarHBondContact O-OG1 3.32Å; T104-T107 PolarHBondContact O-OG1 3.32Å; T107-I110 PolarHBondContact O-N 3.38Å; T107-G111 PolarHBondContact O-N 3.01Å
108A94.9Very high94.6Very high14 Ų1468.3 Ų68.312%0.11638%0.38CS..Hα-helixtrans-66.2-36.7175.400000112.1L95 T104 G111 L112L95-A108 HydrophobicContact CD2-CB 4.16Å; T104-A108 WeakPolarHBondContact O-CB 3.38Å; T104-A108 PolarHBondContact O-N 3.42Å; A108-G111 PolarHBondContact O-N 2.04Å; A108-L112 HydrophobicContact CB-CD1 4.39Å; A108-L112 WeakPolarHBondContact O-CB 3.08Å; A108-L112 WeakPolarHBondContact O-CG 3.16Å; A108-L112 PolarHBondContact O-N 3.05Å
109C95.6Very high94.6Very high18 Ų1866.7 Ų66.712%0.12238%0.382CS..Hα-helixtrans-60.8-49.9176.9155.20000111.2C89 V93 G105 T106 G113C89-C109 HydrophobicContact CB-CB 3.97Å; C89-C109 WeakPolarHBondContact CB-SG 3.46Å; C89-C109 WeakPolarHBondContact SG-CB 3.27Å; C89-C109 CovalentContact SG-SG 2.04Å; C89-C109 PolarHBondContact SG-SG 3.46Å; V93-C109 HydrophobicContact CG2-CB 4.33Å; G105-C109 VanDerWaalsContact O-CB 3.27Å; G105-C109 WeakPolarHBondContact O-CB 3.44Å; G105-C109 PolarHBondContact O-N 2.87Å; T106-C109 PolarHBondContact O-N 3.17Å; C109-G113 VanDerWaalsContact O-CA 3.3Å; C109-G113 WeakPolarHBondContact O-CA 3.38Å; C109-G113 PolarHBondContact O-N 2.87Å
110I96.6Very high94.6Very high106 Ų10664 Ų6454%0.54437%0.365SS..Hα-helixtrans-66.9-45.5179.4-63.1171.1000110.2T106 T107 T114T106-I110 PolarHBondContact O-N 3.47Å; T106-I110 VanDerWaalsContact O-N 3.13Å; T107-I110 PolarHBondContact O-N 3.38Å; I110-T114 HydrophobicContact CG2-CG2 4.38Å; I110-T114 WeakPolarHBondContact O-CB 3.04Å; I110-T114 VanDerWaalsContact O-CG2 3.29Å; I110-T114 WeakPolarHBondContact O-CG2 3.34Å; I110-T114 PolarHBondContact O-N 2.89Å; I110-T114 PolarHBondContact O-OG1 2.58Å
111G96.4Very high94.6Very high29 Ų2956.5 Ų56.530%0.29933%0.331SS..Hα-helixtrans-63.3-56.3-178.800000112.8T107 A108 T114 L115T107-G111 PolarHBondContact O-N 3.01Å; A108-G111 PolarHBondContact O-N 2.04Å; G111-T114 PolarHBondContact O-OG1 3.21Å; G111-T114 VanDerWaalsContact O-OG1 3.07Å; G111-L115 WeakPolarHBondContact O-CB 3.48Å; G111-L115 WeakPolarHBondContact O-CD1 3.18Å; G111-L115 WeakPolarHBondContact O-CG 3.09Å; G111-L115 PolarHBondContact O-N 3.42Å
112L95.6Very high94.4Very high64 Ų6455.1 Ų55.134%0.33532%0.323SS..Hα-helixtrans-68.7-36.5179.9-61.8176.4000111.9A108 A116A108-L112 HydrophobicContact CB-CD1 4.39Å; A108-L112 WeakPolarHBondContact O-CB 3.08Å; A108-L112 WeakPolarHBondContact O-CG 3.16Å; A108-L112 PolarHBondContact O-N 3.05Å; L112-A116 VanDerWaalsContact O-CB 3.25Å; L112-A116 WeakPolarHBondContact O-CB 3.42Å; L112-A116 PolarHBondContact O-N 3.37Å
113G95.4Very high94.3Very high0 Ų056.6 Ų56.60%031%0.314CS..Hα-helixtrans-61.6-51.4175.800000112.3F85 C109 A116 M117F85-G113 WeakPolarHBondContact CA-O 3.37Å; F85-G113 WeakPolarHBondContact CD2-O 3.43Å; C109-G113 VanDerWaalsContact O-CA 3.3Å; C109-G113 WeakPolarHBondContact O-CA 3.38Å; C109-G113 PolarHBondContact O-N 2.87Å; G113-A116 PolarHBondContact O-N 2.87Å; G113-M117 WeakPolarHBondContact O-CB 3.32Å; G113-M117 PolarHBondContact O-N 3.25Å
114T95.8Very high94.1Very high50 Ų5054.1 Ų54.131%0.30730%0.301SS..Hα-helixtrans-63.7-44.3177.950.50000111.7F85 I110 G111 A116 M117 F118F85-T114 HydrophobicContact CE2-CG2 4.04Å; I110-T114 HydrophobicContact CG2-CG2 4.38Å; I110-T114 WeakPolarHBondContact O-CB 3.04Å; I110-T114 VanDerWaalsContact O-CG2 3.29Å; I110-T114 WeakPolarHBondContact O-CG2 3.34Å; I110-T114 PolarHBondContact O-N 2.89Å; I110-T114 PolarHBondContact O-OG1 2.58Å; G111-T114 PolarHBondContact O-OG1 3.21Å; G111-T114 VanDerWaalsContact O-OG1 3.07Å; T114-A116 VanDerWaalsContact C-N 3.33Å; T114-A116 PolarHBondContact O-N 3.46Å; T114-M117 WeakPolarHBondContact O-CB 3.28Å; T114-M117 PolarHBondContact O-N 3Å; T114-F118 WeakPolarHBondContact O-CD2 3.32Å; T114-F118 PolarHBondContact O-N 3.01Å
115L95.5Very high94Very high110 Ų11057.9 Ų57.958%0.57632%0.316SS*.Hα-helixtrans-57.5-45.7175.6-73.8170.6000111.8G111 F118 T119G111-L115 WeakPolarHBondContact O-CB 3.48Å; G111-L115 WeakPolarHBondContact O-CD1 3.18Å; G111-L115 WeakPolarHBondContact O-CG 3.09Å; G111-L115 PolarHBondContact O-N 3.42Å; L115-F118 PolarHBondContact O-N 3.01Å; L115-T119 VanDerWaalsContact O-CG2 3.29Å; L115-T119 WeakPolarHBondContact O-CG2 3.35Å; L115-T119 PolarHBondContact O-N 2.02Å
116A94.9Very high93.8Very high11 Ų1160 Ų609%0.09134%0.337CS..Hα-helixtrans-66.1-37.5177.800000112.8F64 Y84 L112 G113 T114 T119 K120F64-A116 HydrophobicContact CE2-CB 3.69Å; F64-A116 HydrophobicContact CZ-CB 4.24Å; Y84-A116 WeakPolarHBondContact CB-O 3.06Å; Y84-A116 VanDerWaalsContact O-CB 3.31Å; Y84-A116 WeakPolarHBondContact O-CB 3.28Å; L112-A116 VanDerWaalsContact O-CB 3.25Å; L112-A116 WeakPolarHBondContact O-CB 3.42Å; L112-A116 PolarHBondContact O-N 3.37Å; G113-A116 PolarHBondContact O-N 2.87Å; T114-A116 VanDerWaalsContact C-N 3.33Å; T114-A116 PolarHBondContact O-N 3.46Å; A116-T119 WeakPolarHBondContact CA-OG1 3.45Å; A116-T119 PolarHBondContact O-N 2.96Å; A116-T119 PolarHBondContact O-OG1 3.36Å; A116-K120 PolarHBondContact O-N 3.25Å
117M94.9Very high93.6Very high64 Ų6462.9 Ų62.932%0.31534%0.339SS..Hα-helixtrans-61.1-48.2173.9-170.8-175.7179.100110.8P81 F85 G113 T114 T119 K120 V121P81-M117 HydrophobicContact CB-CG 3.97Å; P81-M117 HydrophobicContact CG-CE 4.44Å; F85-M117 HydrophobicContact CB-CB 4.21Å; G113-M117 WeakPolarHBondContact O-CB 3.32Å; G113-M117 PolarHBondContact O-N 3.25Å; T114-M117 WeakPolarHBondContact O-CB 3.28Å; T114-M117 PolarHBondContact O-N 3Å; M117-T119 VanDerWaalsContact C-N 3.32Å; M117-T119 PolarHBondContact O-N 3.13Å; M117-K120 PolarHBondContact O-N 2.88Å; M117-V121 WeakPolarHBondContact O-CG2 3.37Å; M117-V121 PolarHBondContact O-N 3.24Å
118F94.8Very high93Very high117 Ų11767.1 Ų67.151%0.51335%0.345SS..Hα-helixtrans-65.3-32178.7-79.2-63.9000113T114 L115 V121 G122 W127T114-F118 WeakPolarHBondContact O-CD2 3.32Å; T114-F118 PolarHBondContact O-N 3.01Å; L115-F118 PolarHBondContact O-N 3.01Å; F118-V121 PolarHBondContact O-N 3.24Å; F118-G122 PolarHBondContact O-N 2.73Å; F118-W127 HydrophobicContact CD1-CH2 4.47Å
119T92.4Very high92.2Very high74 Ų7475.1 Ų75.145%0.45439%0.385SS..Hα-helixtrans-67.2-38.9174.958.90000111.7L115 A116 M117 K123L115-T119 VanDerWaalsContact O-CG2 3.29Å; L115-T119 WeakPolarHBondContact O-CG2 3.35Å; L115-T119 PolarHBondContact O-N 2.02Å; A116-T119 WeakPolarHBondContact CA-OG1 3.45Å; A116-T119 PolarHBondContact O-N 2.96Å; A116-T119 PolarHBondContact O-OG1 3.36Å; M117-T119 VanDerWaalsContact C-N 3.32Å; M117-T119 PolarHBondContact O-N 3.13Å; T119-K123 WeakPolarHBondContact O-CB 3.39Å; T119-K123 PolarHBondContact O-N 2.98Å
120K92.8Very high91.5Very high13 Ų1378.9 Ų78.96%0.05742%0.418CS..Hα-helixtrans-67.7-45.7173.1-179.665.1177.9-173.20111.4W4 D79 P81 Y84 A116 M117 G122 K123 M124W4-K120 HydrophobicContact CZ3-CD 4.35Å; D79-K120 WeakPolarHBondContact O-CE 3.43Å; D79-K120 IonicContact OD1-NZ 3.69Å; D79-K120 PolarHBondContact OD1-NZ 3.27Å; P81-K120 HydrophobicContact CB-CB 4.11Å; P81-K120 HydrophobicContact CB-CG 3.92Å; Y84-K120 HydrophobicContact CD1-CB 3.87Å; Y84-K120 HydrophobicContact CD2-CB 4.1Å; Y84-K120 HydrophobicContact CD2-CD 4.28Å; Y84-K120 HydrophobicContact CD2-CG 4.1Å; Y84-K120 HydrophobicContact CE1-CB 4.23Å; Y84-K120 HydrophobicContact CE2-CB 4.46Å; Y84-K120 HydrophobicContact CE2-CD 3.93Å; Y84-K120 HydrophobicContact CE2-CG 4.26Å; Y84-K120 HydrophobicContact CG-CB 3.81Å; Y84-K120 HydrophobicContact CG-CG 4.32Å; A116-K120 PolarHBondContact O-N 3.25Å; M117-K120 PolarHBondContact O-N 2.88Å; K120-G122 PolarHBondContact O-N 3.04Å; K120-K123 PolarHBondContact O-N 3.4Å; K120-M124 HydrophobicContact CD-CG 4.41Å; K120-M124 HydrophobicContact CG-CE 4.27Å; K120-M124 HydrophobicContact CG-SD 4.42Å; K120-M124 WeakPolarHBondContact O-CG 3.42Å; K120-M124 PolarHBondContact O-N 3.38Å
121V93.9Very high90.6Very high23 Ų2376.1 Ų76.114%0.13942%0.415CS..Hα-helixtrans-57.8-49.6175.7172.10000111P81 M117 F118 K123 M124 E125 W127P81-V121 HydrophobicContact CB-CG2 3.82Å; P81-V121 HydrophobicContact CG-CG2 3.92Å; M117-V121 WeakPolarHBondContact O-CG2 3.37Å; M117-V121 PolarHBondContact O-N 3.24Å; F118-V121 PolarHBondContact O-N 3.24Å; V121-K123 VanDerWaalsContact C-N 3.25Å; V121-K123 PolarHBondContact O-N 3.47Å; V121-M124 HydrophobicContact CG2-CE 4.22Å; V121-M124 PolarHBondContact O-N 3.33Å; V121-E125 HydrophobicContact CG1-CG 4.32Å; V121-E125 PolarHBondContact O-N 3.07Å; V121-W127 HydrophobicContact CG1-CZ2 4.5Å
122G90.6Very high90Very high8 Ų879.4 Ų79.48%0.08243%0.431CS..Hα-helixtrans-61.1-33.6178.100000112.9F118 K120 G126 W127F118-G122 PolarHBondContact O-N 2.73Å; K120-G122 PolarHBondContact O-N 3.04Å; G122-G126 CarbonylContact O-C 3.57Å; G122-G126 WeakPolarHBondContact O-CA 3.25Å; G122-G126 PolarHBondContact O-N 3.41Å; G122-W127 PolarHBondContact O-N 2.86Å
123K90.1Very high89.3Confident117 Ų11782.4 Ų82.451%0.50945%0.454SS..Hα-helixtrans-68.5-40.8173.1179.460178.5175.50112.3W4 T119 K120 V121W4-K123 HydrophobicContact CD2-CD 4.27Å; W4-K123 HydrophobicContact CD2-CG 4.13Å; W4-K123 HydrophobicContact CE3-CD 4.45Å; W4-K123 HydrophobicContact CE3-CG 3.84Å; W4-K123 HydrophobicContact CH2-CB 4.14Å; W4-K123 HydrophobicContact CH2-CG 4.25Å; W4-K123 HydrophobicContact CZ2-CB 4.48Å; W4-K123 HydrophobicContact CZ3-CB 4.2Å; W4-K123 HydrophobicContact CZ3-CG 3.91Å; T119-K123 WeakPolarHBondContact O-CB 3.39Å; T119-K123 PolarHBondContact O-N 2.98Å; K120-K123 PolarHBondContact O-N 3.4Å; V121-K123 VanDerWaalsContact C-N 3.25Å; V121-K123 PolarHBondContact O-N 3.47Å
124M90.1Very high88.4Confident92 Ų9292.1 Ų92.145%0.45349%0.491SS..Hα-helixtrans-68.5-41.6178.1-67.3-172.7-59.400112D79 P81 K120 V121 G126D79-M124 VanDerWaalsContact O-SD 3.42Å; P81-M124 HydrophobicContact CB-CE 4.09Å; P81-M124 HydrophobicContact CG-CE 3.73Å; K120-M124 HydrophobicContact CD-CG 4.41Å; K120-M124 HydrophobicContact CG-CE 4.27Å; K120-M124 HydrophobicContact CG-SD 4.42Å; K120-M124 WeakPolarHBondContact O-CG 3.42Å; K120-M124 PolarHBondContact O-N 3.38Å; V121-M124 HydrophobicContact CG2-CE 4.22Å; V121-M124 PolarHBondContact O-N 3.33Å; M124-G126 VanDerWaalsContact C-N 3.31Å
125E91.1Very high86.7Confident129 Ų129102.1 Ų102.160%0.60354%0.537SS*.Hα-helixtrans-83.5-5.4179.3-66.8-171.9-169.200113.6V121 W127V121-E125 HydrophobicContact CG1-CG 4.32Å; V121-E125 PolarHBondContact O-N 3.07Å; E125-W127 WeakPolarHBondContact OE2-CZ2 3.44Å; E125-W127 PolarHBondContact OE2-NE1 2.79Å
126G88.8Confident86.3Confident51 Ų51101.8 Ų101.853%0.52654%0.535SS..THydrogen-bonded Turntrans7228.6177.700000114.5G122 M124 R128G122-G126 CarbonylContact O-C 3.57Å; G122-G126 WeakPolarHBondContact O-CA 3.25Å; G122-G126 PolarHBondContact O-N 3.41Å; M124-G126 VanDerWaalsContact C-N 3.31Å; G126-R128 PolarHBondContact O-N 3.31Å
127W89.1Confident85.8Confident145 Ų145106.5 Ų106.555%0.54956%0.559SS.*  trans-58.8134.1175.8-66.68.8000110.6F118 V121 G122 E125F118-W127 HydrophobicContact CD1-CH2 4.47Å; V121-W127 HydrophobicContact CG1-CZ2 4.5Å; G122-W127 PolarHBondContact O-N 2.86Å; E125-W127 WeakPolarHBondContact OE2-CZ2 3.44Å; E125-W127 PolarHBondContact OE2-NE1 2.79Å
128R83.1Confident85.3Confident174 Ų174108.9 Ų108.966%0.65757%0.572SS**  trans-108.3101.9176.7-65.2-174.1179.7-179.6-1.1109.3G126 A130G126-R128 PolarHBondContact O-N 3.31Å; R128-A130 VanDerWaalsContact C-N 3.35Å
129L79.6Confident84.8Confident183 Ų183108.4 Ų108.496%0.95858%0.576SS**SBendtrans-66.4-37.3176.3-79.3159.2000112.4
130A80.7Confident84.3Confident97 Ų97110.6 Ų110.680%0.80258%0.583SS**SBendtrans-134.5124172.200000107.7R128R128-A130 VanDerWaalsContact C-N 3.35Å
131G77.5Confident83.8Confident47 Ų47117.1 Ų117.149%0.48562%0.619SS.*  trans-143.1162178.500000110.1
132P82.4Confident83Confident99 Ų99123.8 Ų123.864%0.64365%0.653SS**PPolyproline II helixtrans-56.2142.1172.825.1-32.7000109.1R134P132-R134 PolarHBondContact O-N 3.28Å; P132-R134 VanDerWaalsContact O-N 3.15Å
133P82Confident82.4Confident126 Ų126132.7 Ų132.782%0.81870%0.697SS**PPolyproline II helixtrans-54.9126176.623.8-32.5000108.2
134R75.5Confident81.8Confident204 Ų204134 Ų13477%0.7771%0.712SS**PPolyproline II helixtrans-85125171.6-67.4-174.8175.4158-2.4106.8P132P132-R134 PolarHBondContact O-N 3.28Å; P132-R134 VanDerWaalsContact O-N 3.15Å
135M61.9Low81.1Confident261 Ų261137.8 Ų137.8100%1.28674%0.736SS**  trans-76.50168.3-58.1-161.6-163.600110.1

Retrieved 135 of 135 residues in 895.4 ms (Link to these results)

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