A0A061HX07_CRIGR Loading...

Emerin

AlphaFold DB , UniProt , Accession A0A061HX07, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Emd, Length 259 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
1M60.2Low84.7Confident114 Ų11479.5 Ų79.556%0.56244%0.443SS*.  0-190-71.8-67.5176.900111.2D3 F39M1-D3 VanDerWaalsContact C-N 3.28Å; M1-D3 PolarHBondContact O-N 3.07Å; M1-F39 HydrophobicContact CE-CD1 3.14Å; M1-F39 HydrophobicContact CE-CD2 4.28Å; M1-F39 HydrophobicContact CE-CE1 3.08Å; M1-F39 HydrophobicContact CE-CE2 4.22Å; M1-F39 HydrophobicContact CE-CG 3.78Å; M1-F39 HydrophobicContact CE-CZ 3.66Å; M1-F39 HydrophobicContact SD-CB 3.86Å; M1-F39 HydrophobicContact SD-CD1 3.38Å; M1-F39 WeakPolarHBondContact SD-CD1 3.39Å; M1-F39 HydrophobicContact SD-CD2 3.64Å; M1-F39 HydrophobicContact SD-CE1 3.78Å; M1-F39 HydrophobicContact SD-CE2 4Å; M1-F39 HydrophobicContact SD-CG 3.31Å; M1-F39 WeakPolarHBondContact SD-CG 3.44Å; M1-F39 HydrophobicContact SD-CZ 4.06Å
2D71.7Confident85.5Confident113 Ų11373 Ų7360%0.60441%0.406SS*.G310 helixtrans-77.9-11.4-171.2-49-66000114Y4 A5D2-Y4 PolarHBondContact O-N 2.94Å; D2-A5 WeakPolarHBondContact O-CB 3.34Å; D2-A5 PolarHBondContact O-N 3.44Å
3D77.7Confident86.2Confident119 Ų11968.9 Ų68.964%0.63639%0.388SS*.G310 helixtrans-54.6-30176.6-50.9-29.2000112.4M1 L7M1-D3 VanDerWaalsContact C-N 3.28Å; M1-D3 PolarHBondContact O-N 3.07Å; D3-L7 VanDerWaalsContact O-CD1 3.25Å; D3-L7 WeakPolarHBondContact O-CD1 3.17Å
4Y84.8Confident86.9Confident22 Ų2268.1 Ų68.19%0.08639%0.394CS..G310 helixtrans-97-8.5177.2-54-79.9000114.6D2 V6 L7 I38 F39 E42D2-Y4 PolarHBondContact O-N 2.94Å; Y4-V6 VanDerWaalsContact C-N 3.27Å; Y4-V6 PolarHBondContact O-N 2.85Å; Y4-L7 HydrophobicContact CD1-CD1 4.21Å; Y4-L7 PolarHBondContact O-N 2.99Å; Y4-I38 HydrophobicContact CD1-CG2 3.88Å; Y4-I38 HydrophobicContact CE1-CG2 3.4Å; Y4-I38 HydrophobicContact CE2-CG2 4.23Å; Y4-I38 HydrophobicContact CG-CG2 4.47Å; Y4-F39 HydrophobicContact CD2-CB 4.3Å; Y4-F39 HydrophobicContact CE2-CB 4Å; Y4-F39 HydrophobicContact CE2-CD2 4.2Å; Y4-E42 PolarHBondContact OH-OE1 2.89Å; Y4-E42 PolarHBondContact OH-OE2 3.37Å
5A85.6Confident87.4Confident32 Ų3264.9 Ų64.926%0.26438%0.376SS..THydrogen-bonded Turntrans-71.2-27.7177.500000111.7D2 R31D2-A5 WeakPolarHBondContact O-CB 3.34Å; D2-A5 PolarHBondContact O-N 3.44Å; A5-R31 PolarHBondContact O-NH2 2.84Å
6V89.2Confident87.9Confident129 Ų12960.9 Ų60.978%0.78235%0.352SS*.SBendtrans-77.5-22.1179-171.10000112.1Y4Y4-V6 VanDerWaalsContact C-N 3.27Å; Y4-V6 PolarHBondContact O-N 2.85Å
7L88.1Confident88.3Confident36 Ų3668.1 Ų68.119%0.18837%0.372CS..SBendtrans-65.9137.3179.2-84.684.3000110.8D3 Y4 E11 V15 R31D3-L7 VanDerWaalsContact O-CD1 3.25Å; D3-L7 WeakPolarHBondContact O-CD1 3.17Å; Y4-L7 HydrophobicContact CD1-CD1 4.21Å; Y4-L7 PolarHBondContact O-N 2.99Å; L7-E11 HydrophobicContact CB-CB 4.19Å; L7-E11 HydrophobicContact CD2-CB 3.88Å; L7-E11 HydrophobicContact CG-CB 4.18Å; L7-V15 HydrophobicContact CD2-CG2 3.87Å; L7-R31 PolarHBondContact O-NH2 2.96Å
8S92.4Very high88.7Confident44 Ų4471.7 Ų71.731%0.30839%0.386SS..  trans-66.4157.316961.20000110.8T10 E11 L12S8-T10 PolarHBondContact O-N 2.75Å; S8-T10 VanDerWaalsContact O-N 3.13Å; S8-T10 PolarHBondContact OG-OG1 3.11Å; S8-E11 PolarHBondContact N-OE2 3.45Å; S8-E11 PolarHBondContact O-N 2.81Å; S8-E11 WeakPolarHBondContact OG-CG 3.46Å; S8-E11 PolarHBondContact OG-N 2.81Å; S8-E11 PolarHBondContact OG-OE2 3.12Å; S8-L12 PolarHBondContact O-N 3.08Å
9D93.9Very high89Confident61 Ų6169.6 Ų69.633%0.32637%0.372SS..Hα-helixtrans-57.4-32.5179.9-69.1-16.6000112.1A13 I26 R31D9-A13 WeakPolarHBondContact O-CB 3.45Å; D9-A13 PolarHBondContact O-N 3.41Å; D9-I26 HydrophobicContact CB-CB 4.49Å; D9-I26 HydrophobicContact CB-CG2 3.79Å; D9-R31 WeakPolarHBondContact OD1-CD 3.45Å; D9-R31 IonicContact OD1-CZ 3.07Å; D9-R31 IonicContact OD1-NE 3.45Å; D9-R31 IonicContact OD1-NH1 2.94Å; D9-R31 PolarHBondContact OD1-NH1 3.11Å
10T93.8Very high89.3Confident106 Ų10673.3 Ų73.365%0.6539%0.392SS*.Hα-helixtrans-68-41.2175.543.70000112.8S8 A13 A14S8-T10 PolarHBondContact O-N 2.75Å; S8-T10 VanDerWaalsContact O-N 3.13Å; S8-T10 PolarHBondContact OG-OG1 3.11Å; T10-A13 WeakPolarHBondContact O-CB 3.37Å; T10-A13 PolarHBondContact O-N 3.01Å; T10-A14 PolarHBondContact O-N 2.93Å
11E94.4Very high89.5Confident99 Ų9970.4 Ų70.446%0.46338%0.377SS..Hα-helixtrans-70.8-41.2177-69.6166.1147.500110.5L7 S8 A13 A14 V15L7-E11 HydrophobicContact CB-CB 4.19Å; L7-E11 HydrophobicContact CD2-CB 3.88Å; L7-E11 HydrophobicContact CG-CB 4.18Å; S8-E11 PolarHBondContact N-OE2 3.45Å; S8-E11 PolarHBondContact O-N 2.81Å; S8-E11 WeakPolarHBondContact OG-CG 3.46Å; S8-E11 PolarHBondContact OG-N 2.81Å; S8-E11 PolarHBondContact OG-OE2 3.12Å; E11-A13 PolarHBondContact O-N 3.04Å; E11-A14 WeakPolarHBondContact O-CB 3.41Å; E11-A14 PolarHBondContact O-N 2.95Å; E11-V15 WeakPolarHBondContact O-CG2 3.47Å; E11-V15 PolarHBondContact O-N 3.11Å
12L94.5Very high91.1Very high1 Ų169.9 Ų69.91%0.00538%0.382CS..Hα-helixtrans-57-42.1173.9-16573.8000110.7S8 V15 L16 I26 R31 E35 I38S8-L12 PolarHBondContact O-N 3.08Å; L12-V15 PolarHBondContact O-N 3.26Å; L12-L16 VanDerWaalsContact O-CG 3.27Å; L12-L16 WeakPolarHBondContact O-CG 3.4Å; L12-L16 PolarHBondContact O-N 3.32Å; L12-I26 HydrophobicContact CD2-CG2 3.99Å; L12-R31 HydrophobicContact CD2-CG 4.06Å; L12-E35 HydrophobicContact CD1-CG 3.96Å; L12-E35 HydrophobicContact CD2-CG 4.28Å; L12-I38 HydrophobicContact CD1-CD1 3.52Å; L12-I38 HydrophobicContact CG-CD1 4.14Å
13A94.8Very high92.1Very high20 Ų2067.1 Ų67.117%0.16537%0.365CS..Hα-helixtrans-61.1-45.517400000112.4D9 T10 E11 V15 L16 R17 I26D9-A13 WeakPolarHBondContact O-CB 3.45Å; D9-A13 PolarHBondContact O-N 3.41Å; T10-A13 WeakPolarHBondContact O-CB 3.37Å; T10-A13 PolarHBondContact O-N 3.01Å; E11-A13 PolarHBondContact O-N 3.04Å; A13-V15 VanDerWaalsContact C-N 3.32Å; A13-V15 PolarHBondContact O-N 3.13Å; A13-L16 PolarHBondContact O-N 3Å; A13-R17 WeakPolarHBondContact O-CG 3.39Å; A13-R17 PolarHBondContact O-N 2.96Å; A13-I26 VanDerWaalsContact CA-CD1 3.41Å; A13-I26 HydrophobicContact CB-CD1 3.27Å
14A95.4Very high92.9Very high57 Ų5763.3 Ų63.347%0.47135%0.354SS..Hα-helixtrans-61.1-43.2179.100000111.2T10 E11 R17 Q18T10-A14 PolarHBondContact O-N 2.93Å; E11-A14 WeakPolarHBondContact O-CB 3.41Å; E11-A14 PolarHBondContact O-N 2.95Å; A14-R17 WeakPolarHBondContact O-CB 3.36Å; A14-R17 PolarHBondContact O-N 3.4Å; A14-Q18 WeakPolarHBondContact O-CB 3.35Å; A14-Q18 PolarHBondContact O-N 2.81Å
15V94.7Very high93.3Very high21 Ų2167.1 Ų67.113%0.12738%0.381CS..Hα-helixtrans-64.6-43176.9176.60000111.4L7 E11 L12 A13 R17 Q18 Y19 I38L7-V15 HydrophobicContact CD2-CG2 3.87Å; E11-V15 WeakPolarHBondContact O-CG2 3.47Å; E11-V15 PolarHBondContact O-N 3.11Å; L12-V15 PolarHBondContact O-N 3.26Å; A13-V15 VanDerWaalsContact C-N 3.32Å; A13-V15 PolarHBondContact O-N 3.13Å; V15-R17 VanDerWaalsContact C-N 3.31Å; V15-R17 PolarHBondContact O-N 3.27Å; V15-Q18 WeakPolarHBondContact O-CB 3.49Å; V15-Q18 PolarHBondContact O-N 3.1Å; V15-Y19 HydrophobicContact CG1-CD2 3.68Å; V15-Y19 HydrophobicContact CG1-CE2 3.23Å; V15-Y19 WeakPolarHBondContact O-CD2 3.48Å; V15-Y19 PolarHBondContact O-N 3.33Å; V15-I38 HydrophobicContact CB-CD1 4Å; V15-I38 HydrophobicContact CG1-CD1 3.61Å; V15-I38 HydrophobicContact CG1-CG1 3.99Å; V15-I38 HydrophobicContact CG1-CG2 3.81Å
16L95.2Very high93.7Very high0 Ų067 Ų670%038%0.376CS..Hα-helixtrans-61.1-40.3174.8-69.3163.4000112L12 A13 Y19 N20 I21 H23 I26 Y34 I38L12-L16 VanDerWaalsContact O-CG 3.27Å; L12-L16 WeakPolarHBondContact O-CG 3.4Å; L12-L16 PolarHBondContact O-N 3.32Å; A13-L16 PolarHBondContact O-N 3Å; L16-Y19 PolarHBondContact O-N 3.47Å; L16-N20 PolarHBondContact O-N 2.87Å; L16-I21 HydrophobicContact CD2-CB 3.98Å; L16-I21 HydrophobicContact CD2-CD1 4.19Å; L16-I21 HydrophobicContact CD2-CG2 3.76Å; L16-I21 PolarHBondContact O-N 2.75Å; L16-H23 HydrophobicContact CB-CB 4.45Å; L16-H23 WeakPolarHBondContact CB-ND1 3.5Å; L16-H23 HydrophobicContact CD1-CB 3.73Å; L16-I26 HydrophobicContact CD1-CD1 4.1Å; L16-I26 HydrophobicContact CD1-CG1 4.38Å; L16-Y34 HydrophobicContact CD1-CD1 3.78Å; L16-Y34 HydrophobicContact CD1-CD2 4.18Å; L16-Y34 HydrophobicContact CD1-CE1 4.46Å; L16-Y34 HydrophobicContact CD1-CG 3.65Å; L16-Y34 HydrophobicContact CD2-CD1 4.05Å; L16-Y34 HydrophobicContact CD2-CG 4.41Å; L16-I38 HydrophobicContact CD2-CD1 3.81Å; L16-I38 HydrophobicContact CD2-CG1 3.61Å; L16-I38 HydrophobicContact CG-CD1 3.82Å; L16-I38 HydrophobicContact CG-CG1 4.15Å
17R94.9Very high93.9Very high183 Ų18364.6 Ų64.669%0.69136%0.361SS*.Hα-helixtrans-64.8-42.5174.5-70.9-178.4-176.7-141.61.4111.6A13 A14 V15 Y19 N20 H23A13-R17 WeakPolarHBondContact O-CG 3.39Å; A13-R17 PolarHBondContact O-N 2.96Å; A14-R17 WeakPolarHBondContact O-CB 3.36Å; A14-R17 PolarHBondContact O-N 3.4Å; V15-R17 VanDerWaalsContact C-N 3.31Å; V15-R17 PolarHBondContact O-N 3.27Å; R17-Y19 VanDerWaalsContact C-N 3.27Å; R17-Y19 PolarHBondContact O-N 2.78Å; R17-N20 PolarHBondContact O-N 3.16Å; R17-H23 VanDerWaalsContact CG-CE1 3.45Å; R17-H23 WeakPolarHBondContact CG-CE1 3.48Å
18Q95.4Very high94.1Very high133 Ų13365.8 Ų65.862%0.62138%0.382SS*.Hα-helixtrans-60.4-38.1178.5-177.7179.68.500112A14 V15 N20A14-Q18 WeakPolarHBondContact O-CB 3.35Å; A14-Q18 PolarHBondContact O-N 2.81Å; V15-Q18 WeakPolarHBondContact O-CB 3.49Å; V15-Q18 PolarHBondContact O-N 3.1Å; Q18-N20 VanDerWaalsContact C-N 3.26Å; Q18-N20 PolarHBondContact O-N 3.45Å
19Y94.4Very high94Very high32 Ų3268.8 Ų68.813%0.12540%0.403CS..THydrogen-bonded Turntrans-86.87.3176.5-60.1-31000113.7V15 L16 R17 I21 I38 Y41 E42 R45V15-Y19 HydrophobicContact CG1-CD2 3.68Å; V15-Y19 HydrophobicContact CG1-CE2 3.23Å; V15-Y19 WeakPolarHBondContact O-CD2 3.48Å; V15-Y19 PolarHBondContact O-N 3.33Å; L16-Y19 PolarHBondContact O-N 3.47Å; R17-Y19 VanDerWaalsContact C-N 3.27Å; R17-Y19 PolarHBondContact O-N 2.78Å; Y19-I21 HydrophobicContact CD2-CD1 4.23Å; Y19-I21 HydrophobicContact CG-CD1 4.43Å; Y19-I21 PolarHBondContact O-N 3.2Å; Y19-I21 VanDerWaalsContact O-N 3.1Å; Y19-I38 HydrophobicContact CD2-CG1 4.37Å; Y19-I38 HydrophobicContact CD2-CG2 4.08Å; Y19-I38 HydrophobicContact CE2-CG2 3.69Å; Y19-Y41 HydrophobicContact CD1-CD1 4.08Å; Y19-Y41 AromaticContact CD1-CE1 3.72Å; Y19-Y41 HydrophobicContact CD1-CE1 3.72Å; Y19-Y41 AromaticContact CD2-CD1 3.94Å; Y19-Y41 HydrophobicContact CD2-CD1 3.94Å; Y19-Y41 HydrophobicContact CD2-CE1 4.39Å; Y19-Y41 AromaticContact CG-CD1 3.65Å; Y19-Y41 HydrophobicContact CG-CD1 3.65Å; Y19-Y41 AromaticContact CG-CE1 3.65Å; Y19-Y41 HydrophobicContact CG-CE1 3.65Å; Y19-E42 HydrophobicContact CE2-CG 4.1Å; Y19-E42 PolarHBondContact OH-OE1 3.16Å; Y19-R45 PolarHBondContact OH-NH1 3.27Å
20N94.7Very high94Very high144 Ų14467.7 Ų67.777%0.7740%0.399SS*.THydrogen-bonded Turntrans52.431.2-176.7-58.1101.2000112.9L16 R17 Q18 P22L16-N20 PolarHBondContact O-N 2.87Å; R17-N20 PolarHBondContact O-N 3.16Å; Q18-N20 VanDerWaalsContact C-N 3.26Å; Q18-N20 PolarHBondContact O-N 3.45Å; N20-P22 WeakPolarHBondContact O-CD 3.44Å
21I93.6Very high94.1Very high13 Ų1365.6 Ų65.67%0.06738%0.379CS..  trans-83.3119179.9-65.2172.5000108.1L16 Y19 H23 K37 I38 Y41L16-I21 HydrophobicContact CD2-CB 3.98Å; L16-I21 HydrophobicContact CD2-CD1 4.19Å; L16-I21 HydrophobicContact CD2-CG2 3.76Å; L16-I21 PolarHBondContact O-N 2.75Å; Y19-I21 HydrophobicContact CD2-CD1 4.23Å; Y19-I21 HydrophobicContact CG-CD1 4.43Å; Y19-I21 PolarHBondContact O-N 3.2Å; Y19-I21 VanDerWaalsContact O-N 3.1Å; I21-H23 PolarHBondContact O-N 2.87Å; I21-H23 PolarHBondContact O-ND1 2.69Å; I21-K37 HydrophobicContact CG2-CD 3.45Å; I21-K37 VanDerWaalsContact CG2-CD 3.45Å; I21-K37 HydrophobicContact CG2-CG 4Å; I21-K37 VanDerWaalsContact CG2-NZ 3.31Å; I21-I38 HydrophobicContact CD1-CG1 4.35Å; I21-Y41 HydrophobicContact CD1-CD1 4.49Å; I21-Y41 HydrophobicContact CD1-CG 4.12Å
22P93.1Very high94Very high103 Ų10366.6 Ų66.667%0.66938%0.382SS*.  trans-64.1127.6176.325.4-32.4000109.5N20 K37N20-P22 WeakPolarHBondContact O-CD 3.44Å; P22-K37 PolarHBondContact O-NZ 3.37Å; P22-K37 VanDerWaalsContact O-NZ 3.08Å
23H94.3Very high94Very high55 Ų5571.8 Ų71.826%0.25541%0.409SS..  trans-142143.7-178.757.5-78.9000110.6L16 R17 I21 Y34L16-H23 HydrophobicContact CB-CB 4.45Å; L16-H23 WeakPolarHBondContact CB-ND1 3.5Å; L16-H23 HydrophobicContact CD1-CB 3.73Å; R17-H23 VanDerWaalsContact CG-CE1 3.45Å; R17-H23 WeakPolarHBondContact CG-CE1 3.48Å; I21-H23 PolarHBondContact O-N 2.87Å; I21-H23 PolarHBondContact O-ND1 2.69Å; H23-Y34 HydrophobicContact CB-CD1 4.02Å; H23-Y34 HydrophobicContact CB-CE1 3.42Å; H23-Y34 VanDerWaalsContact CB-CE1 3.42Å; H23-Y34 HydrophobicContact CB-CE2 4.48Å
24G93.3Very high94Very high38 Ų3871.9 Ų71.939%0.39241%0.405SS..  trans-90.9-158167.500000111.5I26 Y34G24-I26 PolarHBondContact O-N 2.69Å; G24-Y34 PolarHBondContact N-OH 3.06Å
25P93.6Very high93.9Very high103 Ų10369.6 Ų69.667%0.66939%0.385SS*.  trans-62.5136.5-179.926.9-34000111.2V27 T30P25-V27 HydrophobicContact CB-CG2 4.04Å; P25-T30 PolarHBondContact O-OG1 3.4Å
26I94Very high93.9Very high30 Ų3074.6 Ų74.615%0.15441%0.405CS..  trans-90.4110.3175.5-63148.3000106.3D9 L12 A13 L16 G24 Y34D9-I26 HydrophobicContact CB-CB 4.49Å; D9-I26 HydrophobicContact CB-CG2 3.79Å; L12-I26 HydrophobicContact CD2-CG2 3.99Å; A13-I26 VanDerWaalsContact CA-CD1 3.41Å; A13-I26 HydrophobicContact CB-CD1 3.27Å; L16-I26 HydrophobicContact CD1-CD1 4.1Å; L16-I26 HydrophobicContact CD1-CG1 4.38Å; G24-I26 PolarHBondContact O-N 2.69Å; I26-Y34 HydrophobicContact CG1-CD2 3.74Å; I26-Y34 HydrophobicContact CG1-CE2 3.83Å
27V94.1Very high93.9Very high77 Ų7778.4 Ų78.447%0.46742%0.421SS..  trans-135159.5-178.4-1640000106.3P25 S29 T30 R31P25-V27 HydrophobicContact CB-CG2 4.04Å; V27-S29 PolarHBondContact O-N 3.15Å; V27-T30 PolarHBondContact N-OG1 2.98Å; V27-T30 CarbonylContact O-C 3.53Å; V27-T30 PolarHBondContact O-N 3.04Å; V27-T30 PolarHBondContact O-OG1 3.07Å; V27-T30 VanDerWaalsContact O-OG1 3.11Å; V27-R31 PolarHBondContact O-N 2.94Å
28G90.7Very high93.9Very high61 Ų6169.7 Ų69.763%0.62939%0.388SS*.Hα-helixtrans-48.4-34.7-175.700000115.2
29S92.2Very high93.8Very high108 Ų10866.4 Ų66.476%0.75537%0.372SS*.Hα-helixtrans-71.2-30.3176.158.10000114.4V27V27-S29 PolarHBondContact O-N 3.15Å
30T93.7Very high93.7Very high37 Ų3769.5 Ų69.523%0.22739%0.388CS..Hα-helixtrans-100.5-14.4-179.458.30000113.1P25 V27 K32 L33 Y34P25-T30 PolarHBondContact O-OG1 3.4Å; V27-T30 PolarHBondContact N-OG1 2.98Å; V27-T30 CarbonylContact O-C 3.53Å; V27-T30 PolarHBondContact O-N 3.04Å; V27-T30 PolarHBondContact O-OG1 3.07Å; V27-T30 VanDerWaalsContact O-OG1 3.11Å; T30-K32 PolarHBondContact O-N 3.27Å; T30-L33 WeakPolarHBondContact O-CB 3.27Å; T30-L33 PolarHBondContact O-N 2.72Å; T30-L33 VanDerWaalsContact O-N 3.16Å; T30-Y34 WeakPolarHBondContact O-CD2 3.18Å; T30-Y34 PolarHBondContact O-N 3.47Å; T30-Y34 VanDerWaalsContact O-N 3.12Å
31R94.3Very high93.6Very high62 Ų6267.1 Ų67.123%0.23437%0.369CS..Hα-helixtrans-55.3-53.4-178.4-175.8179.7172.4135.9-8.8112.1A5 L7 D9 L12 V27 L33 Y34 E35A5-R31 PolarHBondContact O-NH2 2.84Å; L7-R31 PolarHBondContact O-NH2 2.96Å; D9-R31 WeakPolarHBondContact OD1-CD 3.45Å; D9-R31 IonicContact OD1-CZ 3.07Å; D9-R31 IonicContact OD1-NE 3.45Å; D9-R31 IonicContact OD1-NH1 2.94Å; D9-R31 PolarHBondContact OD1-NH1 3.11Å; L12-R31 HydrophobicContact CD2-CG 4.06Å; V27-R31 PolarHBondContact O-N 2.94Å; R31-L33 VanDerWaalsContact C-N 3.26Å; R31-L33 PolarHBondContact O-N 2.97Å; R31-Y34 PolarHBondContact O-N 3.4Å; R31-Y34 VanDerWaalsContact O-N 3.11Å; R31-E35 WeakPolarHBondContact CG-OE1 3.43Å; R31-E35 IonicContact NE-OE1 2.78Å; R31-E35 PolarHBondContact NE-OE1 2.82Å; R31-E35 WeakPolarHBondContact O-CG 3.43Å; R31-E35 PolarHBondContact O-N 2.9Å
32K93.6Very high93.4Very high121 Ų12167.6 Ų67.653%0.52637%0.37SS..Hα-helixtrans-61.5-32.8178.8-77-74.6165.7-156.40113.4T30 E35 K36T30-K32 PolarHBondContact O-N 3.27Å; K32-E35 WeakPolarHBondContact CD-OE2 3.44Å; K32-E35 WeakPolarHBondContact CE-OE2 3.33Å; K32-E35 IonicContact NZ-OE1 3.74Å; K32-E35 IonicContact NZ-OE2 2.69Å; K32-E35 PolarHBondContact NZ-OE2 3.48Å; K32-K36 WeakPolarHBondContact O-CB 3.44Å; K32-K36 PolarHBondContact O-N 2.84Å; K32-K36 VanDerWaalsContact O-N 3.16Å
33L93.7Very high93.2Very high109 Ų10965 Ų6557%0.57135%0.353SS*.Hα-helixtrans-65-44176-179.968000111T30 R31 K37T30-L33 WeakPolarHBondContact O-CB 3.27Å; T30-L33 PolarHBondContact O-N 2.72Å; T30-L33 VanDerWaalsContact O-N 3.16Å; R31-L33 VanDerWaalsContact C-N 3.26Å; R31-L33 PolarHBondContact O-N 2.97Å; L33-K37 WeakPolarHBondContact O-CB 3.43Å; L33-K37 PolarHBondContact O-N 2.86Å
34Y94.9Very high92.9Very high23 Ų2366.9 Ų66.99%0.0936%0.362CS..Hα-helixtrans-73.2-38.9179.7-66.9-51.5000113.4L16 H23 G24 I26 T30 R31 K36 K37 I38L16-Y34 HydrophobicContact CD1-CD1 3.78Å; L16-Y34 HydrophobicContact CD1-CD2 4.18Å; L16-Y34 HydrophobicContact CD1-CE1 4.46Å; L16-Y34 HydrophobicContact CD1-CG 3.65Å; L16-Y34 HydrophobicContact CD2-CD1 4.05Å; L16-Y34 HydrophobicContact CD2-CG 4.41Å; H23-Y34 HydrophobicContact CB-CD1 4.02Å; H23-Y34 HydrophobicContact CB-CE1 3.42Å; H23-Y34 VanDerWaalsContact CB-CE1 3.42Å; H23-Y34 HydrophobicContact CB-CE2 4.48Å; G24-Y34 PolarHBondContact N-OH 3.06Å; I26-Y34 HydrophobicContact CG1-CD2 3.74Å; I26-Y34 HydrophobicContact CG1-CE2 3.83Å; T30-Y34 WeakPolarHBondContact O-CD2 3.18Å; T30-Y34 PolarHBondContact O-N 3.47Å; T30-Y34 VanDerWaalsContact O-N 3.12Å; R31-Y34 PolarHBondContact O-N 3.4Å; R31-Y34 VanDerWaalsContact O-N 3.11Å; Y34-K36 VanDerWaalsContact C-N 3.28Å; Y34-K36 PolarHBondContact O-N 3.39Å; Y34-K37 PolarHBondContact O-N 3.48Å; Y34-K37 VanDerWaalsContact O-N 3.15Å; Y34-I38 WeakPolarHBondContact O-CG1 3.33Å; Y34-I38 PolarHBondContact O-N 2.88Å
35E94.6Very high92.5Very high8 Ų870.5 Ų70.54%0.03736%0.364CS..Hα-helixtrans-52.7-49.4171.1-71.2173.6-162.500110.5L12 R31 K32 K37 I38 F39L12-E35 HydrophobicContact CD1-CG 3.96Å; L12-E35 HydrophobicContact CD2-CG 4.28Å; R31-E35 WeakPolarHBondContact CG-OE1 3.43Å; R31-E35 IonicContact NE-OE1 2.78Å; R31-E35 PolarHBondContact NE-OE1 2.82Å; R31-E35 WeakPolarHBondContact O-CG 3.43Å; R31-E35 PolarHBondContact O-N 2.9Å; K32-E35 WeakPolarHBondContact CD-OE2 3.44Å; K32-E35 WeakPolarHBondContact CE-OE2 3.33Å; K32-E35 IonicContact NZ-OE1 3.74Å; K32-E35 IonicContact NZ-OE2 2.69Å; K32-E35 PolarHBondContact NZ-OE2 3.48Å; E35-K37 PolarHBondContact O-N 3.01Å; E35-I38 PolarHBondContact O-N 3.01Å; E35-F39 PolarHBondContact O-N 3.39Å
36K94.6Very high91.8Very high127 Ų12773.9 Ų73.955%0.55236%0.363SS*.Hα-helixtrans-62.3-42.8177.2-176.2179.7176.1-1790112.3K32 Y34 I38 F39 E40K32-K36 WeakPolarHBondContact O-CB 3.44Å; K32-K36 PolarHBondContact O-N 2.84Å; K32-K36 VanDerWaalsContact O-N 3.16Å; Y34-K36 VanDerWaalsContact C-N 3.28Å; Y34-K36 PolarHBondContact O-N 3.39Å; K36-I38 PolarHBondContact O-N 3Å; K36-F39 PolarHBondContact O-N 3.24Å; K36-E40 WeakPolarHBondContact O-CB 3.4Å; K36-E40 PolarHBondContact O-N 3.2Å
37K94.5Very high90.9Very high80 Ų8082.7 Ų82.735%0.34839%0.394SS..Hα-helixtrans-64.3-40.1-178.5-164.7173.8-176.6-168.80112I21 P22 L33 Y34 E35 Y41I21-K37 HydrophobicContact CG2-CD 3.45Å; I21-K37 VanDerWaalsContact CG2-CD 3.45Å; I21-K37 HydrophobicContact CG2-CG 4Å; I21-K37 VanDerWaalsContact CG2-NZ 3.31Å; P22-K37 PolarHBondContact O-NZ 3.37Å; P22-K37 VanDerWaalsContact O-NZ 3.08Å; L33-K37 WeakPolarHBondContact O-CB 3.43Å; L33-K37 PolarHBondContact O-N 2.86Å; Y34-K37 PolarHBondContact O-N 3.48Å; Y34-K37 VanDerWaalsContact O-N 3.15Å; E35-K37 PolarHBondContact O-N 3.01Å; K37-Y41 WeakPolarHBondContact O-CB 3.25Å; K37-Y41 PolarHBondContact O-N 3.3Å
38I94.1Very high89.3Confident0 Ų086.1 Ų86.10%041%0.409CS..Hα-helixtrans-63.6-49.9173.3-72.3164000110.4Y4 L12 V15 L16 Y19 I21 Y34 E35 K36 E40 Y41 E42Y4-I38 HydrophobicContact CD1-CG2 3.88Å; Y4-I38 HydrophobicContact CE1-CG2 3.4Å; Y4-I38 HydrophobicContact CE2-CG2 4.23Å; Y4-I38 HydrophobicContact CG-CG2 4.47Å; L12-I38 HydrophobicContact CD1-CD1 3.52Å; L12-I38 HydrophobicContact CG-CD1 4.14Å; V15-I38 HydrophobicContact CB-CD1 4Å; V15-I38 HydrophobicContact CG1-CD1 3.61Å; V15-I38 HydrophobicContact CG1-CG1 3.99Å; V15-I38 HydrophobicContact CG1-CG2 3.81Å; L16-I38 HydrophobicContact CD2-CD1 3.81Å; L16-I38 HydrophobicContact CD2-CG1 3.61Å; L16-I38 HydrophobicContact CG-CD1 3.82Å; L16-I38 HydrophobicContact CG-CG1 4.15Å; Y19-I38 HydrophobicContact CD2-CG1 4.37Å; Y19-I38 HydrophobicContact CD2-CG2 4.08Å; Y19-I38 HydrophobicContact CE2-CG2 3.69Å; I21-I38 HydrophobicContact CD1-CG1 4.35Å; Y34-I38 WeakPolarHBondContact O-CG1 3.33Å; Y34-I38 PolarHBondContact O-N 2.88Å; E35-I38 PolarHBondContact O-N 3.01Å; K36-I38 PolarHBondContact O-N 3Å; I38-E40 VanDerWaalsContact C-N 3.29Å; I38-E40 PolarHBondContact O-N 2.9Å; I38-Y41 PolarHBondContact O-N 3.49Å; I38-E42 WeakPolarHBondContact O-CB 3.28Å; I38-E42 PolarHBondContact O-N 3.44Å
39F93.3Very high87.2Confident63 Ų6386.6 Ų86.628%0.27640%0.403SS..Hα-helixtrans-57.4-43.8179.7175.4-85.8000112.1M1 Y4 E35 K36 E42 T43M1-F39 HydrophobicContact CE-CD1 3.14Å; M1-F39 HydrophobicContact CE-CD2 4.28Å; M1-F39 HydrophobicContact CE-CE1 3.08Å; M1-F39 HydrophobicContact CE-CE2 4.22Å; M1-F39 HydrophobicContact CE-CG 3.78Å; M1-F39 HydrophobicContact CE-CZ 3.66Å; M1-F39 HydrophobicContact SD-CB 3.86Å; M1-F39 HydrophobicContact SD-CD1 3.38Å; M1-F39 WeakPolarHBondContact SD-CD1 3.39Å; M1-F39 HydrophobicContact SD-CD2 3.64Å; M1-F39 HydrophobicContact SD-CE1 3.78Å; M1-F39 HydrophobicContact SD-CE2 4Å; M1-F39 HydrophobicContact SD-CG 3.31Å; M1-F39 WeakPolarHBondContact SD-CG 3.44Å; M1-F39 HydrophobicContact SD-CZ 4.06Å; Y4-F39 HydrophobicContact CD2-CB 4.3Å; Y4-F39 HydrophobicContact CE2-CB 4Å; Y4-F39 HydrophobicContact CE2-CD2 4.2Å; E35-F39 PolarHBondContact O-N 3.39Å; K36-F39 PolarHBondContact O-N 3.24Å; F39-E42 PolarHBondContact O-N 3.42Å; F39-T43 VanDerWaalsContact CE1-OG1 3.31Å; F39-T43 WeakPolarHBondContact CE1-OG1 3.29Å; F39-T43 WeakPolarHBondContact O-CB 3.3Å; F39-T43 PolarHBondContact O-N 3.41Å; F39-T43 PolarHBondContact O-OG1 2.91Å
40E92.7Very high85.2Confident97 Ų9787 Ų8745%0.45340%0.403SS..Hα-helixtrans-64.5-45.9178.8-178.4173.2178.300111.3K36 I38 E42 T43 Q44K36-E40 WeakPolarHBondContact O-CB 3.4Å; K36-E40 PolarHBondContact O-N 3.2Å; I38-E40 VanDerWaalsContact C-N 3.29Å; I38-E40 PolarHBondContact O-N 2.9Å; E40-E42 VanDerWaalsContact C-N 3.33Å; E40-E42 PolarHBondContact O-N 3.48Å; E40-T43 PolarHBondContact O-N 3.07Å; E40-Q44 WeakPolarHBondContact O-CB 3.49Å; E40-Q44 VanDerWaalsContact O-CG 3.29Å; E40-Q44 WeakPolarHBondContact O-CG 3.38Å; E40-Q44 PolarHBondContact O-N 2.9Å; E40-Q44 PolarHBondContact OE1-NE2 2.9Å; E40-Q44 VanDerWaalsContact OE1-NE2 3.16Å
41Y93Very high83Confident95 Ų9590.8 Ų90.837%0.37343%0.428SS..Hα-helixtrans-58.6-45.4175.7-177.7-98.5000111.7Y19 I21 K37 I38 Q44 R45Y19-Y41 HydrophobicContact CD1-CD1 4.08Å; Y19-Y41 AromaticContact CD1-CE1 3.72Å; Y19-Y41 HydrophobicContact CD1-CE1 3.72Å; Y19-Y41 AromaticContact CD2-CD1 3.94Å; Y19-Y41 HydrophobicContact CD2-CD1 3.94Å; Y19-Y41 HydrophobicContact CD2-CE1 4.39Å; Y19-Y41 AromaticContact CG-CD1 3.65Å; Y19-Y41 HydrophobicContact CG-CD1 3.65Å; Y19-Y41 AromaticContact CG-CE1 3.65Å; Y19-Y41 HydrophobicContact CG-CE1 3.65Å; I21-Y41 HydrophobicContact CD1-CD1 4.49Å; I21-Y41 HydrophobicContact CD1-CG 4.12Å; K37-Y41 WeakPolarHBondContact O-CB 3.25Å; K37-Y41 PolarHBondContact O-N 3.3Å; I38-Y41 PolarHBondContact O-N 3.49Å; Y41-Q44 PolarHBondContact O-N 3.46Å; Y41-R45 WeakPolarHBondContact O-CG 3.49Å; Y41-R45 PolarHBondContact O-N 3.03Å
42E89.9Confident80.3Confident22 Ų2295.1 Ų95.110%0.10346%0.456CS..Hα-helixtrans-61.2-42.8175.3-84.1-150.7-151.300113.2Y4 Y19 I38 F39 E40 Q44 R45 R46Y4-E42 PolarHBondContact OH-OE1 2.89Å; Y4-E42 PolarHBondContact OH-OE2 3.37Å; Y19-E42 HydrophobicContact CE2-CG 4.1Å; Y19-E42 PolarHBondContact OH-OE1 3.16Å; I38-E42 WeakPolarHBondContact O-CB 3.28Å; I38-E42 PolarHBondContact O-N 3.44Å; F39-E42 PolarHBondContact O-N 3.42Å; E40-E42 VanDerWaalsContact C-N 3.33Å; E40-E42 PolarHBondContact O-N 3.48Å; E42-Q44 VanDerWaalsContact C-N 3.34Å; E42-R45 WeakPolarHBondContact O-CG 3.31Å; E42-R46 WeakPolarHBondContact O-CB 3.34Å; E42-R46 VanDerWaalsContact O-CG 3.29Å; E42-R46 WeakPolarHBondContact O-CG 3.06Å; E42-R46 PolarHBondContact O-N 3.4Å; E42-R46 IonicContact OE2-CZ 3.67Å; E42-R46 IonicContact OE2-NE 3.8Å; E42-R46 IonicContact OE2-NH2 2.75Å; E42-R46 PolarHBondContact OE2-NH2 2.87Å
43T89.2Confident78Confident49 Ų4994.7 Ų94.730%0.30147%0.468SS..Hα-helixtrans-63.9-42.7178-58.80000110.8F39 E40 R46 R47F39-T43 VanDerWaalsContact CE1-OG1 3.31Å; F39-T43 WeakPolarHBondContact CE1-OG1 3.29Å; F39-T43 WeakPolarHBondContact O-CB 3.3Å; F39-T43 PolarHBondContact O-N 3.41Å; F39-T43 PolarHBondContact O-OG1 2.91Å; E40-T43 PolarHBondContact O-N 3.07Å; T43-R46 PolarHBondContact O-N 3.48Å; T43-R47 WeakPolarHBondContact O-CG 3.31Å; T43-R47 PolarHBondContact O-N 2.87Å
44Q88.1Confident75.3Confident95 Ų9594.7 Ų94.744%0.44448%0.478SS..Hα-helixtrans-64.5-48.3178.6-71.7175.914.200111.6E40 Y41 E42 R46 R47 L48E40-Q44 WeakPolarHBondContact O-CB 3.49Å; E40-Q44 VanDerWaalsContact O-CG 3.29Å; E40-Q44 WeakPolarHBondContact O-CG 3.38Å; E40-Q44 PolarHBondContact O-N 2.9Å; E40-Q44 PolarHBondContact OE1-NE2 2.9Å; E40-Q44 VanDerWaalsContact OE1-NE2 3.16Å; Y41-Q44 PolarHBondContact O-N 3.46Å; E42-Q44 VanDerWaalsContact C-N 3.34Å; Q44-R46 VanDerWaalsContact C-N 3.31Å; Q44-R46 PolarHBondContact O-N 2.88Å; Q44-R47 PolarHBondContact O-N 3.33Å; Q44-R47 VanDerWaalsContact O-N 3.12Å; Q44-L48 VanDerWaalsContact O-CG 3.32Å; Q44-L48 WeakPolarHBondContact O-CG 3.38Å; Q44-L48 PolarHBondContact O-N 3.47Å
45R83.3Confident73.1Confident114 Ų11499.2 Ų99.243%0.4351%0.512SS..Hα-helixtrans-65.1-31.7178.364.8-174.8-95.7-129.6-3.7113.4Y19 Y41 E42 S49Y19-R45 PolarHBondContact OH-NH1 3.27Å; Y41-R45 WeakPolarHBondContact O-CG 3.49Å; Y41-R45 PolarHBondContact O-N 3.03Å; E42-R45 WeakPolarHBondContact O-CG 3.31Å; R45-S49 PolarHBondContact O-N 3.16Å; R45-S49 PolarHBondContact O-OG 3.43Å
46R79.6Confident70.4Confident174 Ų174103.2 Ų103.266%0.65754%0.541SS*.Hα-helixtrans-69-36.3172.6-72.4-176.9-159.5-174.78.5111.9E42 T43 Q44E42-R46 WeakPolarHBondContact O-CB 3.34Å; E42-R46 VanDerWaalsContact O-CG 3.29Å; E42-R46 WeakPolarHBondContact O-CG 3.06Å; E42-R46 PolarHBondContact O-N 3.4Å; E42-R46 IonicContact OE2-CZ 3.67Å; E42-R46 IonicContact OE2-NE 3.8Å; E42-R46 IonicContact OE2-NH2 2.75Å; E42-R46 PolarHBondContact OE2-NH2 2.87Å; T43-R46 PolarHBondContact O-N 3.48Å; Q44-R46 VanDerWaalsContact C-N 3.31Å; Q44-R46 PolarHBondContact O-N 2.88Å
47R74.3Confident67.7Low214 Ų214101.8 Ų101.881%0.80855%0.547SS*.Hα-helixtrans-74.3-26.6176.8-74.8-166.9172-163.3-1.9114.3T43 Q44T43-R47 WeakPolarHBondContact O-CG 3.31Å; T43-R47 PolarHBondContact O-N 2.87Å; Q44-R47 PolarHBondContact O-N 3.33Å; Q44-R47 VanDerWaalsContact O-N 3.12Å
48L61.9Low65.2Low150 Ų150107.8 Ų107.879%0.78557%0.574SS**Hα-helixtrans-87.6-8.8178.4-65.8171.4000113.4Q44Q44-L48 VanDerWaalsContact O-CG 3.32Å; Q44-L48 WeakPolarHBondContact O-CG 3.38Å; Q44-L48 PolarHBondContact O-N 3.47Å
49S46.6Very low62.5Low70 Ų70112.3 Ų112.349%0.4961%0.605SS.*SBendtrans-84.4138.1169.6-580000109.2R45R45-S49 PolarHBondContact O-N 3.16Å; R45-S49 PolarHBondContact O-OG 3.43Å
50P49.3Very low59.9Low116 Ų116120.8 Ų120.875%0.75364%0.637SS**  trans-54.5136.3176.4-21.931.2000110.3N52P50-N52 PolarHBondContact O-N 3.04Å
51P48Very low57.2Low118 Ų118126.7 Ų126.777%0.76666%0.656SS**  trans-67.8107.4-174.726.9-32.4000109.3S53P51-S53 PolarHBondContact O-N 2.9Å
52N37.8Very low54.4Low153 Ų153130.2 Ų130.282%0.81867%0.673SS**  trans-68.4108.114851.3-13.8000106.5P50 S54P50-N52 PolarHBondContact O-N 3.04Å; N52-S54 PolarHBondContact O-N 3.22Å
53S44Very low52.1Low111 Ų111134.2 Ų134.278%0.77670%0.704SS**SBendtrans-39.3104.6-179.2-42.90000112.9P51P51-S53 PolarHBondContact O-N 2.9Å
54S37.8Very low49.6Very low110 Ų110138.2 Ų138.277%0.76972%0.723SS**  trans-159.992.5151.8-800000108.2N52 S56N52-S54 PolarHBondContact O-N 3.22Å; S54-S56 PolarHBondContact O-N 3.22Å; S54-S56 VanDerWaalsContact O-N 3.14Å
55S48.4Very low47.6Very low117 Ų117141.9 Ų141.982%0.81875%0.745SS**  trans-49.3113.3164.1-177.50000109.7
56S38Very low45.5Very low92 Ų92144.1 Ų144.164%0.64377%0.765SS**  trans-146.669.7152.958.60000108.5S54 F58S54-S56 PolarHBondContact O-N 3.22Å; S54-S56 VanDerWaalsContact O-N 3.14Å; S56-F58 PolarHBondContact O-N 3.34Å
57S39Very low43.6Very low98 Ų98140.9 Ų140.969%0.68577%0.769SS**  trans-48.3108.5145.138.60000107.9S59S57-S59 VanDerWaalsContact C-N 3.28Å; S57-S59 PolarHBondContact O-N 3Å
58F40.7Very low41.9Very low205 Ų205135.4 Ų135.490%0.89977%0.77SS**  trans-60.490.8171.9-93.5-95.7000109S56S56-F58 PolarHBondContact O-N 3.34Å
59S37.1Very low40.9Very low95 Ų95134 Ų13466%0.66477%0.772SS**  trans-80.7129.4159.458.20000107.9S57 R61S57-S59 VanDerWaalsContact C-N 3.28Å; S57-S59 PolarHBondContact O-N 3Å; S59-R61 PolarHBondContact O-N 2.97Å
60Y40.2Very low41.1Very low242 Ų242137.6 Ų137.695%0.94979%0.791SS**  trans-63.7105.3164.6-101.4-99.7000108.1
61R34.7Very low40.5Very low221 Ų221139.3 Ų139.383%0.83479%0.794SS**  trans-126.8101.9162.5-101.5-97-167.31542.6106.7S59 S63S59-R61 PolarHBondContact O-N 2.97Å; R61-S63 PolarHBondContact O-N 3.49Å
62F35Very low40.3Very low168 Ų168137.7 Ų137.774%0.73779%0.786SS**  trans-55.8120.3165-177.1-106.6000108.3D64F62-D64 WeakPolarHBondContact CE1-OD1 3.31Å; F62-D64 WeakPolarHBondContact CE1-OD2 3.43Å; F62-D64 WeakPolarHBondContact CZ-OD1 3.43Å
63S41.6Very low41.1Very low107 Ų107137.6 Ų137.675%0.74879%0.785SS**  trans-97.8105.6175.2-660000108.3R61R61-S63 PolarHBondContact O-N 3.49Å
64D36.5Very low41.4Very low132 Ų132141.1 Ų141.171%0.70679%0.792SS**  trans-94.6122.5154.6-77.2-18.8000107.7F62F62-D64 WeakPolarHBondContact CE1-OD1 3.31Å; F62-D64 WeakPolarHBondContact CE1-OD2 3.43Å; F62-D64 WeakPolarHBondContact CZ-OD1 3.43Å
65L46.5Very low42Very low172 Ų172145.6 Ų145.690%0.90179%0.793SS**  trans-94.1122.3169.7-76.9161.2000107.8
66D38.9Very low42.2Very low162 Ų162147.4 Ų147.487%0.86679%0.793SS**  trans-151.2153.3139.4-155.19.9000111.8
67S38.7Very low43.2Very low105 Ų105149.7 Ų149.773%0.73480%0.798SS**  trans-92.4149.3-153.4-60.90000115.2
68A39.3Very low43.6Very low99 Ų99150.7 Ų150.782%0.81880%0.802SS**  trans53110.1141.500000120.7
69S40.2Very low43.7Very low120 Ų120148.5 Ų148.584%0.83979%0.792SS**  -166.5125.8120.962.30000110.8
70V51Low44.5Very low147 Ų147153.4 Ų153.489%0.89180%0.801SS**  trans-67.3121.9168.4174.50000108.5
71D36.8Very low45.3Very low151 Ų151149.2 Ų149.281%0.80779%0.791SS**  trans-166.9132.4137.8-150.213.8000113.8
72S44.5Very low46Very low85 Ų85145.6 Ų145.659%0.59479%0.788SS**  trans44.3112.4145.8-161.60000123.1
73D53.7Low46.8Very low150 Ų150142 Ų14280%0.80279%0.789SS**  trans25.2109.2130.1-53.2-34.9000120.1
74M50.7Low47.2Very low186 Ų186144.3 Ų144.392%0.91679%0.792SS**  trans-159.296.4137.2-134.4161.961.800110.2D76M74-D76 PolarHBondContact O-N 2.85Å
75Y49.8Very low47.7Very low203 Ų203144.8 Ų144.880%0.79679%0.794SS**  trans-61.7129160.2-92.2-95.8000108.2L77Y75-L77 HydrophobicContact CD1-CD1 4.27Å
76D53.9Low47.5Very low155 Ų155147.2 Ų147.283%0.82979%0.793SS**  trans-151.2113.7137.3-109.2-22.5000109.8M74 P78M74-D76 PolarHBondContact O-N 2.85Å; D76-P78 WeakPolarHBondContact O-CD 3.29Å
77L58.5Low47.7Very low140 Ų140148.9 Ų148.973%0.73380%0.795SS**PPolyproline II helixtrans-75.5121.8168.6-76.8122.1000108.9Y75 K79Y75-L77 HydrophobicContact CD1-CD1 4.27Å; L77-K79 PolarHBondContact O-N 3.27Å
78P46.8Very low48.2Very low120 Ų120148.5 Ų148.578%0.77979%0.793SS**PPolyproline II helixtrans-76.8120.6156.8-10.128.1000108.4D76D76-P78 WeakPolarHBondContact O-CD 3.29Å
79K43.6Very low48.4Very low158 Ų158152.9 Ų152.969%0.68779%0.794SS**PPolyproline II helixtrans-56.2136.3177-70.4166.7177168.30110.4L77 E81L77-K79 PolarHBondContact O-N 3.27Å; K79-E81 PolarHBondContact O-N 3.42Å
80K53Low48.5Very low198 Ų198156.4 Ų156.486%0.86180%0.797SS**SBendtrans-11.186.4144.244.9155.8-179.61630115.6
81E57.1Low47.9Very low155 Ų155159.7 Ų159.772%0.72480%0.795SS**  trans-157.30.2160.453.2-155.8-169.900116.9K79 A83K79-E81 PolarHBondContact O-N 3.42Å; E81-A83 PolarHBondContact O-N 2.93Å
82D49.8Very low47.8Very low145 Ų145157.8 Ų157.878%0.77578%0.784SS**THydrogen-bonded Turntrans-83.730.1-173.4-61.2-20000115.6
83A52.9Low47.5Very low93 Ų93159.9 Ų159.977%0.76979%0.789SS**THydrogen-bonded Turntrans-87.2-1.9177.200000114.4E81E81-A83 PolarHBondContact O-N 2.93Å
84L49.1Very low46.7Very low155 Ų155160.1 Ų160.181%0.81279%0.79SS**SBendtrans-132.223.5-169.2-63.4179.8000116.1
85L47.2Very low46.5Very low142 Ų142161.4 Ų161.474%0.74379%0.786SS**SBendtrans-121.841.7-179-90.5172.4000114.7
86Y42.5Very low46Very low223 Ų223160.4 Ų160.488%0.87578%0.782SS**SBendtrans-140.630.2162.3-146.4-95.8000113.4
87Q43.1Very low46.2Very low196 Ų196161.7 Ų161.792%0.91678%0.783SS**SBendtrans-119.356.4166-165.3163.71900109.7
88S48Very low45.3Very low98 Ų98161.6 Ų161.669%0.68578%0.779SS**  trans-152.560.2170.955.80000110.4
89K43.6Very low45.1Very low191 Ų191161 Ų16183%0.8378%0.778SS**  trans-127.582.5157.2-168.2-177.2-176.7178.90108.7
90E43.7Very low45Very low194 Ų194163.8 Ų163.891%0.90779%0.786SS**  trans-165.9106.7138.9-146.7121.6-138.300107.5
91Y38.6Very low44.2Very low216 Ų216158.7 Ų158.785%0.84777%0.767SS**  trans-130.6107167.9-148.6-88.9000102.9
92N33.6Very low43.2Very low110 Ų110154.1 Ų154.159%0.58875%0.75SS**  172.9143.788.6-145-19.8000112
93D37.7Very low42.7Very low129 Ų129152.7 Ų152.769%0.6975%0.747SS**  trans22.3116.9150.2-88.8-37000121.6
94D38.2Very low42.1Very low155 Ų155155.5 Ų155.583%0.82974%0.738SS**  -157.581.912945.4-11.4000110.6Y96D94-Y96 PolarHBondContact O-N 3.36Å
95Y45.8Very low41.7Very low214 Ų214154.8 Ų154.884%0.83974%0.74SS**  20.397.1129.4-126.6-94.8000116.2
96Y39.8Very low41.3Very low182 Ų182159.6 Ų159.671%0.71475%0.75SS**  trans-163.199.4144-131.7-116000111.4D94 E98D94-Y96 PolarHBondContact O-N 3.36Å; Y96-E98 HydrophobicContact CD1-CB 4.2Å; Y96-E98 HydrophobicContact CD1-CG 3.78Å; Y96-E98 HydrophobicContact CE1-CB 4.32Å; Y96-E98 HydrophobicContact CE1-CG 3.56Å; Y96-E98 WeakPolarHBondContact CE1-OE1 3.47Å; Y96-E98 WeakPolarHBondContact CE1-OE2 3.28Å; Y96-E98 PolarHBondContact OH-OE1 2.91Å
97E57.7Low41.7Very low181 Ų181151 Ų15185%0.84673%0.729SS**  trans-83.299.4163.5-88.7-88.1-177.700108.1
98E38.7Very low41.2Very low138 Ų138149.9 Ų149.965%0.64572%0.724SS**  trans-132.192.7165.3-77.7-170.3178.500111.4Y96 Y100Y96-E98 HydrophobicContact CD1-CB 4.2Å; Y96-E98 HydrophobicContact CD1-CG 3.78Å; Y96-E98 HydrophobicContact CE1-CB 4.32Å; Y96-E98 HydrophobicContact CE1-CG 3.56Å; Y96-E98 WeakPolarHBondContact CE1-OE1 3.47Å; Y96-E98 WeakPolarHBondContact CE1-OE2 3.28Å; Y96-E98 PolarHBondContact OH-OE1 2.91Å; E98-Y100 PolarHBondContact O-N 3.39Å
99S44.1Very low41Very low109 Ų109148.5 Ų148.576%0.76271%0.713SS**  trans-46.5127.1158.9-85.60000111.4L101S99-L101 PolarHBondContact O-N 2.8Å
100Y40.8Very low40.5Very low215 Ų215147 Ų14784%0.84371%0.709SS**  trans-44.9133.7161.8-66.9-96.8000110.9E98E98-Y100 PolarHBondContact O-N 3.39Å
101L35.9Very low40.3Very low91 Ų91141 Ų14148%0.47669%0.688SS.*  171.2119.9121.7-85.8152000113.9S99 V112 G113S99-L101 PolarHBondContact O-N 2.8Å; L101-V112 PolarHBondContact O-N 2.87Å; L101-G113 VanDerWaalsContact CB-N 3.32Å; L101-G113 VanDerWaalsContact CD2-N 3.29Å
102T36Very low40.2Very low60 Ų60135.8 Ų135.837%0.36868%0.678SS.*  trans105.5113.3139.4-51.40000119.9S111 V112 G113T102-S111 WeakPolarHBondContact CG2-O 3.32Å; T102-V112 WeakPolarHBondContact OG1-CA 3.37Å; T102-V112 PolarHBondContact OG1-N 3.27Å; T102-V112 VanDerWaalsContact OG1-N 3.12Å; T102-V112 PolarHBondContact OG1-O 3.04Å; T102-G113 PolarHBondContact OG1-N 3.37Å
103T40.7Very low40.4Very low115 Ų115132.3 Ų132.371%0.70667%0.669SS**  trans15.8125148.562.20000120
104R40.3Very low40.1Very low152 Ų152134 Ų13457%0.57467%0.674SS**  trans-157.3101.1131.8-112154.2178.8-134.422.4111Y106 G107 E108 P109R104-Y106 PolarHBondContact O-N 3.4Å; R104-G107 WeakPolarHBondContact CD-O 3.38Å; R104-G107 VanDerWaalsContact CG-O 3.3Å; R104-G107 WeakPolarHBondContact CG-O 3.41Å; R104-G107 PolarHBondContact NH1-O 3.49Å; R104-E108 PolarHBondContact NH1-O 2.89Å; R104-P109 VanDerWaalsContact CD-C 3.48Å; R104-P109 WeakPolarHBondContact CD-O 3.4Å; R104-P109 PolarHBondContact NE-O 3.26Å; R104-P109 VanDerWaalsContact NH1-N 3.14Å; R104-P109 PolarHBondContact NH1-O 3.35Å; R104-P109 PolarHBondContact NH2-O 2.78Å
105T39.9Very low40Very low139 Ų139131.2 Ų131.285%0.85367%0.667SS**SBendtrans-42.6124.8147.6-46.70000108G107T105-G107 PolarHBondContact O-N 2.97Å
106Y39.8Very low39.7Very low243 Ų243130.9 Ų130.995%0.95367%0.67SS**SBendtrans2.297179.6-110.5-98.4000116.2R104R104-Y106 PolarHBondContact O-N 3.4Å
107G50.1Low39.2Very low42 Ų42127.6 Ų127.643%0.43367%0.673SS.*SBendtrans145.968.7-18000000110.2R104 T105R104-G107 WeakPolarHBondContact CD-O 3.38Å; R104-G107 VanDerWaalsContact CG-O 3.3Å; R104-G107 WeakPolarHBondContact CG-O 3.41Å; R104-G107 PolarHBondContact NH1-O 3.49Å; T105-G107 PolarHBondContact O-N 2.97Å
108E32.9Very low38Very low173 Ų173128.5 Ų128.581%0.80868%0.675SS**  trans-22.6142.1158.4-176.7-176.614900114.7R104R104-E108 PolarHBondContact NH1-O 2.89Å
109P42.3Very low37.7Very low70 Ų70133 Ų13346%0.45569%0.686SS.*  cis-132-180-21.438.4-19.5000114.7R104R104-P109 VanDerWaalsContact CD-C 3.48Å; R104-P109 WeakPolarHBondContact CD-O 3.4Å; R104-P109 PolarHBondContact NE-O 3.26Å; R104-P109 VanDerWaalsContact NH1-N 3.14Å; R104-P109 PolarHBondContact NH1-O 3.35Å; R104-P109 PolarHBondContact NH2-O 2.78Å
110E34.5Very low37.5Very low160 Ų160135.6 Ų135.675%0.74869%0.686SS**  trans91.1105.6154.4-60.4-175.2-174.900124.3
111S37.9Very low37.6Very low67 Ų67131.3 Ų131.347%0.46969%0.685SS.*  97.5135.5111.581.50000124.9T102T102-S111 WeakPolarHBondContact CG2-O 3.32Å
112V37.8Very low37.4Very low106 Ų106130 Ų13064%0.64269%0.694SS**  trans88.9128.2149.9-157.60000123.2L101 T102L101-V112 PolarHBondContact O-N 2.87Å; T102-V112 WeakPolarHBondContact OG1-CA 3.37Å; T102-V112 PolarHBondContact OG1-N 3.27Å; T102-V112 VanDerWaalsContact OG1-N 3.12Å; T102-V112 PolarHBondContact OG1-O 3.04Å
113G36.5Very low37.1Very low38 Ų38134.3 Ų134.339%0.39272%0.72SS.*  trans65148.114700000119.5L101 T102L101-G113 VanDerWaalsContact CB-N 3.32Å; L101-G113 VanDerWaalsContact CD2-N 3.29Å; T102-G113 PolarHBondContact OG1-N 3.37Å
114M33.3Very low36.6Very low163 Ų163134 Ų13480%0.80372%0.723SS**  cis176148.60.4172.175.592.300106.5
115S36.1Very low36.2Very low98 Ų98134.5 Ų134.569%0.68574%0.736SS**  trans73.7127.4153650000124.9
116K39.7Very low35.9Very low207 Ų207132.5 Ų132.590%0.973%0.733SS**  trans70.2131.9132.9-75.8179.2177.2176.80122.2
117S27.8Very low35.4Very low112 Ų112128.2 Ų128.278%0.78373%0.727SS**  trans91.9123.7149-166.90000117.7
118F32.3Very low34.5Very low201 Ų201132 Ų13288%0.88274%0.741SS**  trans-141.794.7149.8-157.7-102.2000110.9
119R32.9Very low34.6Very low233 Ų233131.3 Ų131.388%0.87974%0.738SS**  trans-111.8128.4149.9-160-173.6-144-155.26.7105.5
120Q40.8Very low34.6Very low162 Ų162133.4 Ų133.476%0.75775%0.749SS**  trans-19.8150.4168.9-69.8-176-1300116.1
121P41.3Very low34.5Very low126 Ų126135 Ų13582%0.81875%0.754SS**  -154.3173.471.435.4-11.9000116.6
122G32Very low34.4Very low64 Ų64140.4 Ų140.466%0.6677%0.772SS**  trans-77.2-170.9176.600000114.9
123T30Very low34.2Very low149 Ų149142.9 Ų142.991%0.91478%0.776SS**  trans171.3160.2140.933.20000111.8
124S31Very low34Very low110 Ų110148.3 Ų148.377%0.76979%0.791SS**  trans99.9126.4162.9-151.30000114.4
125L32.1Very low33.9Very low162 Ų162146.7 Ų146.785%0.84879%0.79SS**  cis-168.2139.78.1-163.9102.3000107.3
126A33.2Very low33.7Very low96 Ų96151.6 Ų151.679%0.79379%0.794SS**  trans175.1108.513700000110.6
127D29Very low33.5Very low154 Ų154147.5 Ų147.582%0.82478%0.782SS**  trans-70.9141.2161.1-113.2-33.4000110.2
128T32Very low33.8Very low121 Ų121148.5 Ų148.574%0.74278%0.778SS**  165.2130.2121.234.80000114.3
129H34Very low34Very low158 Ų158144.7 Ų144.773%0.73177%0.766SS**  trans68.5107145.8-73.5-74.3000122.7
130T42.5Very low33.9Very low114 Ų114143 Ų14370%0.69977%0.765SS**  6.8120.2123.3-55.40000116.5
131F33.5Very low33.3Very low194 Ų194140.6 Ų140.685%0.85177%0.766SS**  -161.8128.6129.6-82.4-64.2000111.7
132H35Very low32.6Very low181 Ų181140 Ų14084%0.83877%0.765SS**  trans-66.4130.3154.1-88.8-95.7000109.2
133H34.2Very low32.4Very low157 Ų157141 Ų14173%0.72776%0.763SS**  171.6129.5119.4-119.7-36.6000112.6
134Q31Very low32.7Very low152 Ų152142.4 Ų142.471%0.7176%0.759SS**  trans64.5145.8130.2-98.4-171.283.600121.7
135V32.4Very low32.9Very low129 Ų129145.2 Ų145.278%0.78276%0.759SS**  trans86.9130161.4-173.30000114
136R32.1Very low33.2Very low201 Ų201146.2 Ų146.276%0.75876%0.76SS**  cis175.5144.5-10.2-170.299.9177.4171-4.4104.6
137D35.1Very low33.1Very low122 Ų122145.2 Ų145.265%0.65276%0.759SS**  trans66129.2158.2-55.7-22.9000116.6
138D34.2Very low33.6Very low133 Ų133147.4 Ų147.471%0.71176%0.761SS**  cis-169.2142.239.7-110.1-26.5000112.4
139I36.1Very low33.5Very low121 Ų121148.2 Ų148.262%0.62176%0.761SS**  trans72.2105.7140.3-52.6157.6000119.3
140F30.3Very low33.7Very low196 Ų196150.2 Ų150.286%0.8676%0.762SS**  176.7120.9111.5-96.3-69.8000110.7
141S27.6Very low33.2Very low112 Ų112152.4 Ų152.478%0.78376%0.764SS**  trans145.6118.9135.1-68.30000114.7
142S27.3Very low33.4Very low113 Ų113154.3 Ų154.379%0.7977%0.766SS**  trans57.8120.3131.4172.40000121.1
143S28.2Very low34.3Very low87 Ų87150.7 Ų150.761%0.60876%0.759SS**  155118.711665.50000110.6
144E36Very low34.2Very low178 Ų178150.7 Ų150.783%0.83276%0.762SS**  90.9161.3112.6-72.8-177.9129.700114.2
145E35.6Very low34.4Very low168 Ų168153.5 Ų153.579%0.78577%0.768SS**  trans85107.7179.9-53.4-74.7141.100114.8
146E38.4Very low34.5Very low184 Ų184151.2 Ų151.286%0.8677%0.771SS**  61.5119.767-168.2162.2-173.300113.6
147G31.2Very low34.7Very low75 Ų75151.3 Ų151.377%0.77377%0.771SS**  trans159.9106.6172.100000115.7
148K38.4Very low34.6Very low199 Ų199152.9 Ų152.987%0.86578%0.779SS**  trans-59144.8163.1-69.9159.8172159.60110.8
149D31.5Very low35.1Very low139 Ų139152.5 Ų152.574%0.74379%0.787SS**  173.2155.1105-111.8-34.9000113.9
150R36.6Very low35.1Very low199 Ų199151.6 Ų151.675%0.75179%0.787SS**  trans-7.6145.8155.9-62.8161.693142.17.5116.3
151E32.6Very low35.3Very low161 Ų161152.2 Ų152.275%0.75279%0.785SS**  cis-177.8152.447.6-135.2150.9-138.900109.2
152R36.9Very low36.3Very low233 Ų233155.6 Ų155.688%0.87979%0.788SS**  trans-85.6-165.8170.9-54.2-179.8170.8-146.4-1.6110.2
153P54.9Low36.6Very low106 Ų106154.3 Ų154.369%0.68878%0.78SS**  cis-132.4-173.3-27.220.94.2000112.1
154I31.2Very low37.5Very low157 Ų157157.8 Ų157.881%0.80579%0.79SS**  trans-169.3119.5135-91.7146.2000111.9
155Y36.8Very low37.7Very low211 Ų211152.4 Ų152.483%0.82778%0.776SS**  trans28.8134.9157.2-68.8-88.2000126
156G33.4Very low37.8Very low81 Ų81152 Ų15284%0.83577%0.774SS**  trans-173.862.3158.700000110.8
157R35.9Very low37.7Very low202 Ų202153.3 Ų153.376%0.76277%0.772SS**  trans-77.8132.2175.6-177-179.4-168.7175.92.1107.8
158D33.3Very low38.4Very low155 Ų155159.5 Ų159.583%0.82977%0.772SS**  trans178.1107.4139.9-82.7-16.9000111.8
159S45.1Very low38.6Very low126 Ų126155.9 Ų155.988%0.88177%0.769SS**  trans171.8126.5131.1-174.40000109.2
160V36.3Very low38.9Very low102 Ų102154.7 Ų154.762%0.61876%0.762SS**  trans-124.5133.5-158162.60000107.5
161Y35.2Very low39.2Very low208 Ų208150.4 Ų150.482%0.81676%0.762SS**  trans8097.4161.1-87.2-119.9000120.5
162Q48.2Very low39.3Very low183 Ų183149.6 Ų149.686%0.85576%0.763SS**  -157.889.2122.6-146.8149.447.600106.6
163S32.1Very low39.3Very low87 Ų87145.1 Ų145.161%0.60876%0.761SS**  35.994.673-166.30000112.1
164I47.6Very low38.3Very low159 Ų159144.9 Ų144.982%0.81576%0.762SS**  -162.4130.4115.7-78.9130.3000106.7
165A39.8Very low38.7Very low66 Ų66148.6 Ų148.655%0.54577%0.766SS.*  trans-91.9176.5-167.700000113.4
166H38.8Very low38.4Very low159 Ų159143.9 Ų143.974%0.73676%0.764SS**  trans107.999.1147.3-51.9-60.5000118.5
167Y36.3Very low38.7Very low212 Ų212145.7 Ų145.783%0.83176%0.763SS**  trans46.5122.7131.5-59.6-79.3000121.5
168R45.2Very low39Very low204 Ų204144.8 Ų144.877%0.7777%0.773SS**  trans-31145.8146.8-169-172.5-155.9-146.74.6113.4
169P42.7Very low39.3Very low124 Ų124141.1 Ų141.181%0.80577%0.772SS**  trans-124.5145.514228.5-13.1000113.3
170I37.3Very low38.8Very low114 Ų114143 Ų14359%0.58577%0.771SS**  trans-88155.9174.9-67.1155.2000108.2
171S42.7Very low38.7Very low108 Ų108143.4 Ų143.476%0.75578%0.778SS**  trans-41.5140.3173.352.90000117.3
172N35Very low38.7Very low145 Ų145144 Ų14478%0.77578%0.781SS**  trans-158121150.5521.3000114
173V38Very low37.8Very low138 Ų138146 Ų14684%0.83678%0.782SS**  43.3116.9126.1173.90000119.9
174S33.8Very low38.8Very low102 Ų102146.9 Ų146.971%0.71379%0.786SS**  trans73.1118.9137-154.90000119.5
175R39.3Very low38Very low235 Ų235145.3 Ų145.389%0.88778%0.784SS**  179.9138111.8-97.3169.3163.2-152.4-5.9113.3
176S30.1Very low37.7Very low111 Ų111147 Ų14778%0.77679%0.792SS**  trans-44.9143.5166.551.10000116.1
177S40.7Very low37.7Very low119 Ų119144.6 Ų144.683%0.83279%0.792SS**  trans-148.1113143.961.10000110.5
178L42.1Very low37.6Very low184 Ų184140.3 Ų140.396%0.96379%0.788SS**  trans-67.8133.1168.8-72.7155.8000109.6
179G38.6Very low37Very low78 Ų78136 Ų13680%0.80479%0.789SS**  trans-143.2109.5171.200000109
180L34.2Very low36.7Very low166 Ų166134.5 Ų134.587%0.86978%0.782SS**  trans-80.6133.6-171.1-173.274.8000111.6
181S34Very low36.8Very low110 Ų110134.9 Ų134.977%0.76979%0.79SS**  trans-153103.315662.30000113
182Y35.4Very low36.6Very low221 Ų221134.6 Ų134.687%0.86779%0.787SS**  trans26.4121.4143.7-75.9-98.4000121.5
183Y30.2Very low36.6Very low224 Ų224132.7 Ų132.788%0.87879%0.786SS**  trans-70-175.9160.2-84.5-79000112.9
184P53.1Low36.4Very low106 Ų106131.2 Ų131.269%0.68878%0.781SS**  cis-131.4174.9-28.827.5-6.9000112.2
185T31.2Very low36.4Very low126 Ų126131.1 Ų131.177%0.77378%0.781SS**  trans156131.9133.9-68.60000113.3
186S33.6Very low36.6Very low102 Ų102124.7 Ų124.771%0.71377%0.772SS**  trans-8.7141157.1-45.80000120.5
187S37.8Very low37.2Very low107 Ų107125.3 Ų125.375%0.74878%0.776SS**  174.1105.7128.1-74.20000108.7
188T34.7Very low37.4Very low122 Ų122125.1 Ų125.175%0.74877%0.772SS**  52121.19952.70000116.8
189S33.2Very low37.7Very low113 Ų113121.7 Ų121.779%0.7976%0.763SS**  trans68.9142.7155.182.60000114.6
190S34.8Very low37.9Very low93 Ų93122.7 Ų122.765%0.6576%0.758SS**  cis-172153.22741.80000108.3
191V39.6Very low38.4Very low123 Ų123125 Ų12575%0.74576%0.756SS**  trans41.4116139.6-48.60000119.7
192S39.1Very low39Very low101 Ų101125.7 Ų125.771%0.70675%0.75SS**  trans40.9123.8136.451.60000119.1
193S34.9Very low39.6Very low106 Ų106122.4 Ų122.474%0.74175%0.753SS**  172.3150.1102.6-73.30000112.7
194S34Very low40.7Very low106 Ų106121.3 Ų121.374%0.74175%0.747SS**  trans90.9120.3142.776.70000120.2
195S34.7Very low40.5Very low101 Ų101127.9 Ų127.971%0.70676%0.758SS**  91122.1124.772.80000119.5
196S42.2Very low41.1Very low100 Ų100126.5 Ų126.570%0.69976%0.76SS**  trans59.996.1136.860.50000117.6
197S43.2Very low42Very low123 Ų123128.7 Ų128.786%0.8676%0.762SS**PPolyproline II helixtrans-60.8124.6148.6-55.90000109
198P45.5Very low42.3Very low115 Ų115131.8 Ų131.875%0.74776%0.757SS**PPolyproline II helixtrans-80.9135.8-176.630.5-31.1000111.3
199S47.7Very low42.9Very low112 Ų112132.1 Ų132.178%0.78376%0.761SS**PPolyproline II helixtrans-76.5128.616261.60000110.4
200S43.7Very low43.3Very low100 Ų100132.3 Ų132.370%0.69975%0.75SS**  trans-165.1137.6164.155.70000108.4
201W43.4Very low43.9Very low215 Ų215136.4 Ų136.481%0.81476%0.756SS**  cis-177.7147.8-6.8-104.4116.3000103
202L46.4Very low43.9Very low124 Ų124139.8 Ų139.865%0.64976%0.764SS**  trans74.2101.7146.1-58.1161000119.9R204L202-R204 HydrophobicContact CD2-CB 4.19Å
203T48.6Very low44.1Very low151 Ų151139.3 Ų139.393%0.92677%0.765SS**  -127.699.1119.3-40.10000108.8
204R53.5Low45Very low202 Ų202139.9 Ų139.976%0.76277%0.767SS**  trans-95.9107.7175.3-174-169.3-138.3-100.93.8107.9L202L202-R204 HydrophobicContact CD2-CB 4.19Å
205R48.9Very low45.1Very low243 Ų243143 Ų14392%0.91777%0.773SS**  trans-159.5137.2154.3-73.1-157.4179.4168.70.4107.4
206A43.6Very low45.3Very low97 Ų97142.5 Ų142.580%0.80278%0.775SS**  cis-158.2165.7-7.900000107.6
207I51.5Low45.2Very low148 Ų148142.3 Ų142.376%0.75978%0.78SS**PPolyproline II helixtrans-71.1134.7-163.4-70.2151.7000112.7
208R45.5Very low45.1Very low173 Ų173144.2 Ų144.265%0.65378%0.78SS**PPolyproline II helixtrans-51.1141.9160.5168-177.7178.687.1-12.7112.6E210R208-E210 HydrophobicContact CG-CB 4.21Å; R208-E210 IonicContact CZ-OE2 3.49Å; R208-E210 IonicContact NE-OE2 3.2Å; R208-E210 PolarHBondContact NE-OE2 3.45Å; R208-E210 VanDerWaalsContact NH2-CG 3.28Å; R208-E210 IonicContact NH2-OE2 3.97Å; R208-E210 PolarHBondContact NH2-OE2 2.87Å; R208-E210 VanDerWaalsContact NH2-OE2 3.07Å
209P46.2Very low44.8Very low128 Ų128141.8 Ų141.883%0.83178%0.775SS**PPolyproline II helixtrans-100.8133.7137.932.8-24.4000109.4
210E43.2Very low44.9Very low117 Ų117144.8 Ų144.855%0.54778%0.777SS.*PPolyproline II helixtrans-99.1159.9-178.5-178.5172.1122.600110.1R208R208-E210 HydrophobicContact CG-CB 4.21Å; R208-E210 IonicContact CZ-OE2 3.49Å; R208-E210 IonicContact NE-OE2 3.2Å; R208-E210 PolarHBondContact NE-OE2 3.45Å; R208-E210 VanDerWaalsContact NH2-CG 3.28Å; R208-E210 IonicContact NH2-OE2 3.97Å; R208-E210 PolarHBondContact NH2-OE2 2.87Å; R208-E210 VanDerWaalsContact NH2-OE2 3.07Å
211K45.6Very low45.3Very low179 Ų179146.4 Ų146.478%0.77878%0.778SS**  trans90.3107.7168-47.7-172.2-175.5-175.10112.3
212Q40.1Very low46.3Very low195 Ų195146.8 Ų146.891%0.91178%0.779SS**  -139.415050.1-69.41597.100112.7
213A44.3Very low46.8Very low90 Ų90148.4 Ų148.474%0.74478%0.783SS**  trans-97.2-162.6177.100000109.7
214P53.4Low47.5Very low119 Ų119145.6 Ų145.677%0.77377%0.766SS**  -115.8134-11226.9-5.8000111.7
215I37.1Very low48.6Very low170 Ų170140.2 Ų140.287%0.87276%0.757SS**  trans-129.9101.7169.6-60.5-178.9000109.5
216A37.3Very low50.1Low91 Ų91135.1 Ų135.175%0.75275%0.747SS**  trans62.5134.4137.700000121.7
217A41.5Very low51.8Low96 Ų96140.2 Ų140.279%0.79375%0.746SS**  trans70.5118.3155.600000115
218L39.7Very low53.5Low164 Ų164134.6 Ų134.686%0.85972%0.724SS**  -155.6143.251.6-167.871.8000107.9Q220L218-Q220 PolarHBondContact O-N 2.78Å
219G39.9Very low55.5Low63 Ų63132.3 Ų132.365%0.64972%0.721SS**  trans-48.9139.5177.200000111.2D221G219-D221 PolarHBondContact O-N 3.18Å
220Q50.1Low57.7Low176 Ų176131.2 Ų131.282%0.82271%0.708SS**  trans-67.483.3157.4-69.9-147.3-39.700106.6L218 R222L218-Q220 PolarHBondContact O-N 2.78Å; Q220-R222 PolarHBondContact O-N 2.62Å; Q220-R222 VanDerWaalsContact O-N 3.11Å
221D52.5Low60.1Low134 Ų134131.1 Ų131.172%0.71771%0.71SS**  trans-58.8112.8176.1-132.7-11.7000106.6G219 Q223G219-D221 PolarHBondContact O-N 3.18Å; D221-Q223 PolarHBondContact O-N 2.98Å
222R63.3Low62.5Low222 Ų222128.4 Ų128.484%0.83870%0.703SS**  trans2471.9156.8-64172166.7-161.1-3.2113.5Q220 V224Q220-R222 PolarHBondContact O-N 2.62Å; Q220-R222 VanDerWaalsContact O-N 3.11Å; R222-V224 PolarHBondContact O-N 3.12Å
223Q57.7Low65.1Low158 Ų158125.9 Ų125.974%0.73869%0.69SS**  trans-65.890.7159.2-77.3-177.5-1100106.2D221 P225D221-Q223 PolarHBondContact O-N 2.98Å; Q223-P225 WeakPolarHBondContact O-CD 3.18Å; Q223-P225 VanDerWaalsContact O-N 3.08Å
224V61.7Low67.6Low93 Ų93127 Ų12756%0.56468%0.683SS**  trans-49.3120.6163.4-178.10000104.3R222 L226R222-V224 PolarHBondContact O-N 3.12Å; V224-L226 PolarHBondContact O-N 3.36Å; V224-L226 VanDerWaalsContact O-N 3.07Å
225P77.9Confident69.7Low89 Ų89125.5 Ų125.558%0.57867%0.671SS**  trans-51.5127.7-178.218.1-29.3000106.8Q223 W227 G228Q223-P225 WeakPolarHBondContact O-CD 3.18Å; Q223-P225 VanDerWaalsContact O-N 3.08Å; P225-W227 CarbonylContact O-C 3.57Å; P225-W227 PolarHBondContact O-N 3.49Å; P225-G228 PolarHBondContact O-N 3.04Å
226L79.2Confident72.5Confident136 Ų136122.7 Ų122.771%0.71265%0.653SS**Hα-helixtrans-52.6-21.9-171.8-65.1167.9000112.6V224 Q229 L230V224-L226 PolarHBondContact O-N 3.36Å; V224-L226 VanDerWaalsContact O-N 3.07Å; L226-Q229 PolarHBondContact O-N 2.95Å; L226-L230 PolarHBondContact O-N 3.31Å
227W80.9Confident75.3Confident204 Ų204120.2 Ų120.277%0.77363%0.633SS**Hα-helixtrans-56.2-41.9167.4-66.1111.7000114.8P225 Q229 L230 L231P225-W227 CarbonylContact O-C 3.57Å; P225-W227 PolarHBondContact O-N 3.49Å; W227-Q229 VanDerWaalsContact C-N 3.34Å; W227-L230 PolarHBondContact O-N 2.84Å; W227-L231 WeakPolarHBondContact O-CB 3.47Å; W227-L231 PolarHBondContact O-N 3.12Å
228G87.2Confident78Confident30 Ų30118.3 Ų118.331%0.30962%0.616SS.*Hα-helixtrans-65.5-37.6175.400000112P225 L231 L232P225-G228 PolarHBondContact O-N 3.04Å; G228-L231 PolarHBondContact O-N 3.46Å; G228-L232 VanDerWaalsContact O-CB 3.31Å; G228-L232 WeakPolarHBondContact O-CB 3.5Å; G228-L232 PolarHBondContact O-N 3.22Å
229Q86.3Confident80.7Confident125 Ų125116 Ų11658%0.58460%0.6SS**Hα-helixtrans-67.4-39.2173.9-174.8174.8-18.200111.7L226 W227 L232 F233L226-Q229 PolarHBondContact O-N 2.95Å; W227-Q229 VanDerWaalsContact C-N 3.34Å; Q229-L232 PolarHBondContact O-N 3.3Å; Q229-F233 VanDerWaalsContact O-CB 3.28Å; Q229-F233 WeakPolarHBondContact O-CB 3.36Å; Q229-F233 PolarHBondContact O-N 3.18Å
230L93.3Very high83.3Confident105 Ų105117.2 Ų117.255%0.5559%0.591SS.*Hα-helixtrans-67.6-38.6175.3-172.6130.6000112.3L226 W227 F233 L234L226-L230 PolarHBondContact O-N 3.31Å; W227-L230 PolarHBondContact O-N 2.84Å; L230-F233 PolarHBondContact O-N 2.82Å; L230-L234 WeakPolarHBondContact O-CB 3.29Å; L230-L234 PolarHBondContact O-N 2.82Å
231L94.2Very high85.4Confident114 Ų114113.4 Ų113.460%0.59758%0.576SS**Hα-helixtrans-66.1-44174.4-176.9138.5000111.5W227 G228 F233 L234 V235W227-L231 WeakPolarHBondContact O-CB 3.47Å; W227-L231 PolarHBondContact O-N 3.12Å; G228-L231 PolarHBondContact O-N 3.46Å; L231-F233 VanDerWaalsContact C-N 3.32Å; L231-F233 PolarHBondContact O-N 3.43Å; L231-L234 PolarHBondContact O-N 3.34Å; L231-V235 HydrophobicContact CD2-CG2 4.5Å; L231-V235 WeakPolarHBondContact O-CG2 3.4Å; L231-V235 PolarHBondContact O-N 2.86Å
232L94.3Very high87.4Confident122 Ų122113.4 Ų113.464%0.63957%0.57SS**Hα-helixtrans-61.4-43.1174.6-175.870.6000111.2G228 Q229 L234 V235 F236G228-L232 VanDerWaalsContact O-CB 3.31Å; G228-L232 WeakPolarHBondContact O-CB 3.5Å; G228-L232 PolarHBondContact O-N 3.22Å; Q229-L232 PolarHBondContact O-N 3.3Å; L232-L234 VanDerWaalsContact C-N 3.35Å; L232-L234 PolarHBondContact O-N 3.22Å; L232-V235 PolarHBondContact O-N 3.45Å; L232-F236 VanDerWaalsContact O-CB 3.28Å; L232-F236 WeakPolarHBondContact O-CB 3.14Å; L232-F236 PolarHBondContact O-N 3.37Å
233F95.9Very high88.8Confident142 Ų142105 Ų10562%0.62354%0.543SS*.Hα-helixtrans-62-41175.9179.1-98000112.1Q229 L230 L231 F236 A237Q229-F233 VanDerWaalsContact O-CB 3.28Å; Q229-F233 WeakPolarHBondContact O-CB 3.36Å; Q229-F233 PolarHBondContact O-N 3.18Å; L230-F233 PolarHBondContact O-N 2.82Å; L231-F233 VanDerWaalsContact C-N 3.32Å; L231-F233 PolarHBondContact O-N 3.43Å; F233-F236 PolarHBondContact O-N 3.49Å; F233-A237 VanDerWaalsContact O-CB 3.29Å; F233-A237 WeakPolarHBondContact O-CB 3.39Å; F233-A237 PolarHBondContact O-N 3.14Å
234L96.5Very high90.4Very high115 Ų115103.8 Ų103.860%0.60253%0.532SS*.Hα-helixtrans-66.4-42.7177.3-176.1127.1000112.2L230 L231 L232 F236 A237 A238L230-L234 WeakPolarHBondContact O-CB 3.29Å; L230-L234 PolarHBondContact O-N 2.82Å; L231-L234 PolarHBondContact O-N 3.34Å; L232-L234 VanDerWaalsContact C-N 3.35Å; L232-L234 PolarHBondContact O-N 3.22Å; L234-F236 VanDerWaalsContact C-N 3.33Å; L234-A237 PolarHBondContact O-N 2.75Å; L234-A238 WeakPolarHBondContact O-CB 3.48Å; L234-A238 PolarHBondContact O-N 2.83Å
235V96.8Very high91.8Very high86 Ų86106 Ų10652%0.52153%0.532SS..Hα-helixtrans-61.7-44.1173.9171.90000110.6L231 L232 A238 F239L231-V235 HydrophobicContact CD2-CG2 4.5Å; L231-V235 WeakPolarHBondContact O-CG2 3.4Å; L231-V235 PolarHBondContact O-N 2.86Å; L232-V235 PolarHBondContact O-N 3.45Å; V235-A238 PolarHBondContact O-N 3.06Å; V235-F239 WeakPolarHBondContact O-CB 3.22Å; V235-F239 PolarHBondContact O-N 3.08Å
236F96.7Very high92.1Very high111 Ų111104.2 Ų104.249%0.48752%0.521SS..Hα-helixtrans-64.5-42.4177.5-178.1-105.9000112.3L232 F233 L234 F239 L240L232-F236 VanDerWaalsContact O-CB 3.28Å; L232-F236 WeakPolarHBondContact O-CB 3.14Å; L232-F236 PolarHBondContact O-N 3.37Å; F233-F236 PolarHBondContact O-N 3.49Å; L234-F236 VanDerWaalsContact C-N 3.33Å; F236-F239 WeakPolarHBondContact O-CB 3.46Å; F236-F239 PolarHBondContact O-N 2.85Å; F236-L240 HydrophobicContact CD1-CD1 3.92Å; F236-L240 HydrophobicContact CD1-CG 4.36Å; F236-L240 HydrophobicContact CE1-CD1 3.39Å; F236-L240 HydrophobicContact CE1-CG 4Å; F236-L240 HydrophobicContact CE2-CG 4.44Å; F236-L240 HydrophobicContact CZ-CD1 3.81Å; F236-L240 HydrophobicContact CZ-CD2 4.14Å; F236-L240 HydrophobicContact CZ-CG 4.03Å; F236-L240 WeakPolarHBondContact O-CG 3.28Å; F236-L240 PolarHBondContact O-N 2.91Å
237A96.8Very high92.3Very high40 Ų40102.1 Ų102.133%0.33151%0.51SS..Hα-helixtrans-64.2-42176.200000112F233 L234 F239 L240 L241F233-A237 VanDerWaalsContact O-CB 3.29Å; F233-A237 WeakPolarHBondContact O-CB 3.39Å; F233-A237 PolarHBondContact O-N 3.14Å; L234-A237 PolarHBondContact O-N 2.75Å; A237-F239 VanDerWaalsContact C-N 3.34Å; A237-L240 PolarHBondContact O-N 3.45Å; A237-L241 WeakPolarHBondContact O-CB 3.41Å; A237-L241 PolarHBondContact O-N 3.44Å
238A96.4Very high91.9Very high55 Ų5596.4 Ų96.446%0.45549%0.492SS..Hα-helixtrans-64.3-39174.100000111.9L234 V235 L241 F242L234-A238 WeakPolarHBondContact O-CB 3.48Å; L234-A238 PolarHBondContact O-N 2.83Å; V235-A238 PolarHBondContact O-N 3.06Å; A238-L241 WeakPolarHBondContact O-CB 3.5Å; A238-L241 PolarHBondContact O-N 3.3Å; A238-F242 WeakPolarHBondContact O-CB 3.14Å; A238-F242 PolarHBondContact O-N 3.1Å
239F96.4Very high90.8Very high116 Ų11698.8 Ų98.851%0.50951%0.508SS..Hα-helixtrans-63.4-45.1173.8174-97.6000111.9V235 F236 A237 L241 F242 V243V235-F239 WeakPolarHBondContact O-CB 3.22Å; V235-F239 PolarHBondContact O-N 3.08Å; F236-F239 WeakPolarHBondContact O-CB 3.46Å; F236-F239 PolarHBondContact O-N 2.85Å; A237-F239 VanDerWaalsContact C-N 3.34Å; F239-L241 VanDerWaalsContact C-N 3.31Å; F239-L241 PolarHBondContact O-N 2.79Å; F239-F242 WeakPolarHBondContact O-CB 3.04Å; F239-F242 PolarHBondContact O-N 3.46Å; F239-V243 HydrophobicContact CD1-CG2 4.25Å; F239-V243 HydrophobicContact CD2-CG2 4.33Å; F239-V243 HydrophobicContact CE1-CG2 3.79Å; F239-V243 HydrophobicContact CE2-CG2 3.88Å; F239-V243 HydrophobicContact CZ-CG2 3.59Å; F239-V243 WeakPolarHBondContact O-CG2 3.35Å; F239-V243 PolarHBondContact O-N 3.31Å
240L94.9Very high89.6Confident88 Ų88101.1 Ų101.146%0.46152%0.519SS..Hα-helixtrans-62.1-39.5174.9-72.7-179.6000112F236 A237 V243 Y244F236-L240 HydrophobicContact CD1-CD1 3.92Å; F236-L240 HydrophobicContact CD1-CG 4.36Å; F236-L240 HydrophobicContact CE1-CD1 3.39Å; F236-L240 HydrophobicContact CE1-CG 4Å; F236-L240 HydrophobicContact CE2-CG 4.44Å; F236-L240 HydrophobicContact CZ-CD1 3.81Å; F236-L240 HydrophobicContact CZ-CD2 4.14Å; F236-L240 HydrophobicContact CZ-CG 4.03Å; F236-L240 WeakPolarHBondContact O-CG 3.28Å; F236-L240 PolarHBondContact O-N 2.91Å; A237-L240 PolarHBondContact O-N 3.45Å; L240-V243 PolarHBondContact O-N 3.45Å; L240-Y244 WeakPolarHBondContact O-CB 3.45Å; L240-Y244 PolarHBondContact O-N 2.81Å
241L94.5Very high88Confident96 Ų96103.3 Ų103.350%0.50353%0.526SS..Hα-helixtrans-62.7-45.3174.2-168.786.9000110.8A237 A238 F239 Y244 Y245A237-L241 WeakPolarHBondContact O-CB 3.41Å; A237-L241 PolarHBondContact O-N 3.44Å; A238-L241 WeakPolarHBondContact O-CB 3.5Å; A238-L241 PolarHBondContact O-N 3.3Å; F239-L241 VanDerWaalsContact C-N 3.31Å; F239-L241 PolarHBondContact O-N 2.79Å; L241-Y244 WeakPolarHBondContact O-CB 3.43Å; L241-Y244 PolarHBondContact O-N 3.03Å; L241-Y245 HydrophobicContact CD1-CE2 3.95Å; L241-Y245 HydrophobicContact CD2-CD2 4.34Å; L241-Y245 HydrophobicContact CD2-CE2 3.94Å; L241-Y245 HydrophobicContact CG-CD2 3.86Å; L241-Y245 HydrophobicContact CG-CE2 3.65Å; L241-Y245 WeakPolarHBondContact O-CD2 3.13Å; L241-Y245 PolarHBondContact O-N 2.78Å
242F94.1Very high86.3Confident135 Ų135100.5 Ų100.559%0.59253%0.525SS*.Hα-helixtrans-59.7-50.4176.5173-98.1000111.4A238 F239 Y244 Y245 S246A238-F242 WeakPolarHBondContact O-CB 3.14Å; A238-F242 PolarHBondContact O-N 3.1Å; F239-F242 WeakPolarHBondContact O-CB 3.04Å; F239-F242 PolarHBondContact O-N 3.46Å; F242-Y244 VanDerWaalsContact C-N 3.32Å; F242-Y244 PolarHBondContact O-N 3.06Å; F242-Y245 CarbonylContact O-C 3.54Å; F242-Y245 PolarHBondContact O-N 3.42Å; F242-Y245 VanDerWaalsContact O-N 3.14Å; F242-S246 PolarHBondContact O-N 2.9Å; F242-S246 PolarHBondContact O-OG 2.98Å; F242-S246 VanDerWaalsContact O-OG 3.06Å
243V93.1Very high84.6Confident45 Ų4599.6 Ų99.627%0.27352%0.521SS..Hα-helixtrans-61.6-41.6177.4171.40000111.1F239 L240 Y245 S246 I247F239-V243 HydrophobicContact CD1-CG2 4.25Å; F239-V243 HydrophobicContact CD2-CG2 4.33Å; F239-V243 HydrophobicContact CE1-CG2 3.79Å; F239-V243 HydrophobicContact CE2-CG2 3.88Å; F239-V243 HydrophobicContact CZ-CG2 3.59Å; F239-V243 WeakPolarHBondContact O-CG2 3.35Å; F239-V243 PolarHBondContact O-N 3.31Å; L240-V243 PolarHBondContact O-N 3.45Å; V243-Y245 VanDerWaalsContact C-N 3.31Å; V243-Y245 PolarHBondContact O-N 3.14Å; V243-S246 PolarHBondContact O-N 3.2Å; V243-S246 VanDerWaalsContact O-N 3.15Å; V243-I247 HydrophobicContact CG1-CD1 3.62Å; V243-I247 HydrophobicContact CG1-CG1 4.19Å; V243-I247 WeakPolarHBondContact O-CB 3.32Å; V243-I247 VanDerWaalsContact O-CG1 3.28Å; V243-I247 WeakPolarHBondContact O-CG1 3.34Å; V243-I247 PolarHBondContact O-N 3.36Å
244Y92Very high82.9Confident132 Ų13297.7 Ų97.752%0.51852%0.523SS..Hα-helixtrans-59.7-41174.6173.6-108.1000112.2L240 L241 F242 Q248L240-Y244 WeakPolarHBondContact O-CB 3.45Å; L240-Y244 PolarHBondContact O-N 2.81Å; L241-Y244 WeakPolarHBondContact O-CB 3.43Å; L241-Y244 PolarHBondContact O-N 3.03Å; F242-Y244 VanDerWaalsContact C-N 3.32Å; F242-Y244 PolarHBondContact O-N 3.06Å; Y244-Q248 HydrophobicContact CE2-CG 4.42Å; Y244-Q248 VanDerWaalsContact CZ-CD 3.41Å; Y244-Q248 WeakPolarHBondContact O-CB 3.4Å; Y244-Q248 WeakPolarHBondContact O-CG 3.16Å; Y244-Q248 PolarHBondContact O-N 2.8Å; Y244-Q248 VanDerWaalsContact O-N 3.1Å; Y244-Q248 PolarHBondContact O-NE2 3.15Å; Y244-Q248 PolarHBondContact OH-OE1 3.14Å
245Y89.5Confident81Confident141 Ų141100.7 Ų100.755%0.55353%0.531SS*.Hα-helixtrans-70.6-36.4172.6-81.1-65.6000112.6L241 F242 V243 Q248 A249L241-Y245 HydrophobicContact CD1-CE2 3.95Å; L241-Y245 HydrophobicContact CD2-CD2 4.34Å; L241-Y245 HydrophobicContact CD2-CE2 3.94Å; L241-Y245 HydrophobicContact CG-CD2 3.86Å; L241-Y245 HydrophobicContact CG-CE2 3.65Å; L241-Y245 WeakPolarHBondContact O-CD2 3.13Å; L241-Y245 PolarHBondContact O-N 2.78Å; F242-Y245 CarbonylContact O-C 3.54Å; F242-Y245 PolarHBondContact O-N 3.42Å; F242-Y245 VanDerWaalsContact O-N 3.14Å; V243-Y245 VanDerWaalsContact C-N 3.31Å; V243-Y245 PolarHBondContact O-N 3.14Å; Y245-Q248 PolarHBondContact O-N 3.06Å; Y245-A249 WeakPolarHBondContact O-CB 3.48Å; Y245-A249 PolarHBondContact O-N 2.9Å
246S84.1Confident79.1Confident50 Ų50106.5 Ų106.535%0.3554%0.544SS..Hα-helixtrans-67.6-40.2177-60.60000112.4F242 V243 A249 E250F242-S246 PolarHBondContact O-N 2.9Å; F242-S246 PolarHBondContact O-OG 2.98Å; F242-S246 VanDerWaalsContact O-OG 3.06Å; V243-S246 PolarHBondContact O-N 3.2Å; V243-S246 VanDerWaalsContact O-N 3.15Å; S246-A249 PolarHBondContact O-N 3.22Å; S246-E250 PolarHBondContact O-N 3Å
247I85.2Confident77.2Confident93 Ų93109.1 Ų109.148%0.47756%0.56SS.*Hα-helixtrans-65.4-44174.7-68.3168.6000110V243 A249 E250 E251V243-I247 HydrophobicContact CG1-CD1 3.62Å; V243-I247 HydrophobicContact CG1-CG1 4.19Å; V243-I247 WeakPolarHBondContact O-CB 3.32Å; V243-I247 VanDerWaalsContact O-CG1 3.28Å; V243-I247 WeakPolarHBondContact O-CG1 3.34Å; V243-I247 PolarHBondContact O-N 3.36Å; I247-A249 VanDerWaalsContact C-N 3.32Å; I247-A249 PolarHBondContact O-N 3.07Å; I247-E250 PolarHBondContact O-N 3.4Å; I247-E251 PolarHBondContact O-N 3.1Å; I247-E251 VanDerWaalsContact O-N 3.08Å
248Q70.9Confident75Confident84 Ų84114.2 Ų114.239%0.39358%0.581SS.*Hα-helixtrans-69.6-27.1174.7-77.1174.9110.200113.8Y244 Y245 E250 E251Y244-Q248 HydrophobicContact CE2-CG 4.42Å; Y244-Q248 VanDerWaalsContact CZ-CD 3.41Å; Y244-Q248 WeakPolarHBondContact O-CB 3.4Å; Y244-Q248 WeakPolarHBondContact O-CG 3.16Å; Y244-Q248 PolarHBondContact O-N 2.8Å; Y244-Q248 VanDerWaalsContact O-N 3.1Å; Y244-Q248 PolarHBondContact O-NE2 3.15Å; Y244-Q248 PolarHBondContact OH-OE1 3.14Å; Y245-Q248 PolarHBondContact O-N 3.06Å; Q248-E250 VanDerWaalsContact C-N 3.32Å; Q248-E251 CarbonylContact O-C 3.45Å
249A64.1Low73.3Confident79 Ų79121.1 Ų121.165%0.65362%0.622SS**Hα-helixtrans-73.9-26.6175.500000111.9Y245 S246 I247Y245-A249 WeakPolarHBondContact O-CB 3.48Å; Y245-A249 PolarHBondContact O-N 2.9Å; S246-A249 PolarHBondContact O-N 3.22Å; I247-A249 VanDerWaalsContact C-N 3.32Å; I247-A249 PolarHBondContact O-N 3.07Å
250E62.4Low72.2Confident175 Ų175121.4 Ų121.482%0.81863%0.628SS**Hα-helixtrans-80.2-32.1173.5-161.9173.5-177.800111.7S246 I247 Q248 G252S246-E250 PolarHBondContact O-N 3Å; I247-E250 PolarHBondContact O-N 3.4Å; Q248-E250 VanDerWaalsContact C-N 3.32Å; E250-G252 PolarHBondContact O-N 2.9Å; E250-G252 VanDerWaalsContact O-N 3.1Å
251E58.3Low71Confident150 Ų150123.2 Ų123.270%0.70164%0.636SS**THydrogen-bonded Turntrans-82.539.1166.7-63.4-173.4-161.300112.5I247 Q248 N253I247-E251 PolarHBondContact O-N 3.1Å; I247-E251 VanDerWaalsContact O-N 3.08Å; Q248-E251 CarbonylContact O-C 3.45Å; E251-N253 PolarHBondContact O-N 2.94Å
252G59.8Low69.7Low56 Ų56124.7 Ų124.758%0.57764%0.644SS**  trans-50102.7170.300000110.3E250E250-G252 PolarHBondContact O-N 2.9Å; E250-G252 VanDerWaalsContact O-N 3.1Å
253N58.6Low68.2Low103 Ų103124.1 Ų124.155%0.55165%0.647SS**  trans-19.6116169.4-90.6-35.2000113E251 F255 W256E251-N253 PolarHBondContact O-N 2.94Å; N253-F255 PolarHBondContact O-N 3.42Å; N253-W256 PolarHBondContact ND2-NE1 3.42Å; N253-W256 VanDerWaalsContact ND2-NE1 3.2Å
254P59.8Low66.7Low102 Ų102129 Ų12966%0.66267%0.67SS**THydrogen-bonded Turntrans-718.7-179.429.6-35.6000114.1
255F57.3Low65Low177 Ų177128.8 Ų128.878%0.77668%0.68SS**THydrogen-bonded Turntrans-114.14.9-172.6-63.8-69.9000114.5N253N253-F255 PolarHBondContact O-N 3.42Å
256W56.9Low63.2Low209 Ų209127.9 Ų127.979%0.79269%0.689SS**  trans-101.231.1175.1-62106.3000113.7N253N253-W256 PolarHBondContact ND2-NE1 3.42Å; N253-W256 VanDerWaalsContact ND2-NE1 3.2Å
257M56.1Low61.6Low166 Ų166133.9 Ų133.982%0.81872%0.716SS**  trans-86.3107.2158-85.7105.699.500109.2
258D50.3Low59.7Low146 Ų146137.3 Ų137.378%0.78174%0.736SS**  trans10147.6156-52.5-36.2000120.4
259P61.7Low58.6Low201 Ų201142.2 Ų142.2100%1.30577%0.767SS**  trans-89.20132.133.4-29000112.7

Retrieved 259 of 259 residues in 47.7 ms (Link to these results)

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