A0A061AKS3_CAEEL Loading...

Nuclear receptor domain-containing protein

AlphaFold DB , UniProt , Accession A0A061AKS3, Species CAEEL (Caenorhabditis elegans), Gene nhr-38, Length 184 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
1M29.3Very low46.4Very low244 Ų24496.5 Ų96.5100%1.20247%0.47SS*.  0105.70-100.1-178.4-103.500107.5R3M1-R3 PolarHBondContact O-N 3.23Å
2R27.1Very low48.2Very low230 Ų23096.1 Ų96.187%0.86847%0.469SS*.  trans-71.9111.6178.4-88.7177.2173.3168.9-2.2108.4I4R2-I4 HydrophobicContact CB-CG1 4.28Å; R2-I4 PolarHBondContact O-N 3.34Å; R2-I4 VanDerWaalsContact O-N 3.1Å
3R30.6Very low50.1Low248 Ų24890.9 Ų90.994%0.93644%0.443SS*.  trans-74.881.7157-75.1-178.7176.2179.7-2106.3M1 S5M1-R3 PolarHBondContact O-N 3.23Å; R3-S5 PolarHBondContact O-N 3.27Å
4I34.7Very low51.6Low103 Ų10384.6 Ų84.653%0.52841%0.413SS..  trans-78.2114.1156.4-66170.5000103.4R2 T6 I183R2-I4 HydrophobicContact CB-CG1 4.28Å; R2-I4 PolarHBondContact O-N 3.34Å; R2-I4 VanDerWaalsContact O-N 3.1Å; I4-T6 PolarHBondContact O-N 3.24Å; I4-I183 WeakPolarHBondContact CG2-O 3.48Å
5S39.7Very low52.7Low47 Ų4782.5 Ų82.533%0.32940%0.403SS..  trans-70.5118.7-158.752.80000111.9R3 G7R3-S5 PolarHBondContact O-N 3.27Å; S5-G7 PolarHBondContact O-N 3.07Å
6T40.3Very low53.7Low115 Ų11582.8 Ų82.871%0.70640%0.403SS*.THydrogen-bonded Turntrans-6214.8146.145.90000112.9I4I4-T6 PolarHBondContact O-N 3.24Å
7G48Very low54.6Low35 Ų3579.8 Ų79.836%0.36139%0.388SS..THydrogen-bonded Turntrans-134.231.3-169.300000113.6S5 P9S5-G7 PolarHBondContact O-N 3.07Å; G7-P9 WeakPolarHBondContact O-CD 3.2Å
8S58.2Low55.1Low7 Ų775.7 Ų75.75%0.04937%0.368CS..  trans-62.1122.7162164.60000107.5L10 I11 M12 M80S8-L10 PolarHBondContact O-N 3.04Å; S8-I11 PolarHBondContact O-N 2.58Å; S8-M12 PolarHBondContact O-N 3.5Å; S8-M80 WeakPolarHBondContact OG-CE 3.21Å
9P66.7Low55.3Low21 Ų2178.5 Ų78.514%0.13638%0.375CS..Hα-helixtrans-51-37.3-178-32.239.3000112G7 M12 Q13 F79 E81G7-P9 WeakPolarHBondContact O-CD 3.2Å; P9-M12 CarbonylContact O-C 3.6Å; P9-M12 WeakPolarHBondContact O-CB 3.4Å; P9-M12 PolarHBondContact O-N 3.03Å; P9-Q13 VanDerWaalsContact O-CG 3.26Å; P9-Q13 WeakPolarHBondContact O-CG 3.46Å; P9-Q13 PolarHBondContact O-N 3.14Å; P9-F79 HydrophobicContact CB-CE1 4.39Å; P9-F79 HydrophobicContact CB-CE2 4.22Å; P9-F79 HydrophobicContact CB-CZ 4.04Å; P9-F79 WeakPolarHBondContact CB-O 3.11Å; P9-F79 VanDerWaalsContact CG-O 3.27Å; P9-F79 WeakPolarHBondContact CG-O 3.03Å; P9-E81 HydrophobicContact CG-CB 4.41Å; P9-E81 HydrophobicContact CG-CG 3.93Å
10L68.6Low55.3Low0 Ų078.3 Ų78.30%039%0.387CS..Hα-helixtrans-62.5-46.5175.1-175.769.6000114.2S8 M12 Q13 V14 F79 M80 I94 F98 F176 I180S8-L10 PolarHBondContact O-N 3.04Å; L10-M12 VanDerWaalsContact C-N 3.25Å; L10-M12 PolarHBondContact O-N 3.45Å; L10-Q13 WeakPolarHBondContact O-CB 3.46Å; L10-Q13 PolarHBondContact O-N 2.76Å; L10-V14 PolarHBondContact O-N 3.12Å; L10-F79 HydrophobicContact CB-CE1 3.99Å; L10-F79 HydrophobicContact CD1-CE1 4.19Å; L10-M80 HydrophobicContact CB-CE 4.17Å; L10-M80 HydrophobicContact CB-SD 3.64Å; L10-M80 HydrophobicContact CD2-CE 4.39Å; L10-M80 HydrophobicContact CD2-SD 4.22Å; L10-I94 HydrophobicContact CD2-CG2 3.64Å; L10-F98 HydrophobicContact CD1-CE2 3.5Å; L10-F98 VanDerWaalsContact CD1-CE2 3.5Å; L10-F98 HydrophobicContact CD1-CZ 3.68Å; L10-F98 HydrophobicContact CD2-CE2 3.58Å; L10-F98 HydrophobicContact CD2-CZ 4.32Å; L10-F98 HydrophobicContact CG-CE2 4.13Å; L10-F176 HydrophobicContact CD2-CE2 3.97Å; L10-F176 HydrophobicContact CD2-CZ 3.91Å; L10-F176 HydrophobicContact CG-CZ 4.42Å; L10-I180 HydrophobicContact CD2-CD1 4.43Å; L10-I180 HydrophobicContact CD2-CG1 4.35Å
11I66.9Low55.1Low11 Ų1180.9 Ų80.96%0.05640%0.398CS..Hα-helixtrans-66.1-37.6178.1-61.7179.5000109.2S8 Q13 V14 I15 I180 L184S8-I11 PolarHBondContact O-N 2.58Å; I11-Q13 VanDerWaalsContact C-N 3.33Å; I11-Q13 PolarHBondContact O-N 3.15Å; I11-V14 PolarHBondContact O-N 3.46Å; I11-I15 HydrophobicContact CG2-CD1 3.69Å; I11-I15 HydrophobicContact CG2-CG1 4.22Å; I11-I15 WeakPolarHBondContact O-CB 3.33Å; I11-I15 VanDerWaalsContact O-CG1 3.3Å; I11-I15 WeakPolarHBondContact O-CG1 3.46Å; I11-I15 PolarHBondContact O-N 2.9Å; I11-I180 HydrophobicContact CD1-CG2 3.62Å; I11-I180 HydrophobicContact CG1-CG2 3.79Å; I11-L184 HydrophobicContact CD1-CD1 4.11Å; I11-L184 HydrophobicContact CD1-CD2 3.61Å; I11-L184 HydrophobicContact CD1-CG 3.89Å
12M68Low56.2Low92 Ų9275.4 Ų75.445%0.45337%0.368SS..Hα-helixtrans-62.1-40173.3-165.4138.5170.900111.3S8 P9 L10 V14 I15 E16S8-M12 PolarHBondContact O-N 3.5Å; P9-M12 CarbonylContact O-C 3.6Å; P9-M12 WeakPolarHBondContact O-CB 3.4Å; P9-M12 PolarHBondContact O-N 3.03Å; L10-M12 VanDerWaalsContact C-N 3.25Å; L10-M12 PolarHBondContact O-N 3.45Å; M12-V14 PolarHBondContact O-N 3.43Å; M12-I15 PolarHBondContact O-N 2.9Å; M12-E16 WeakPolarHBondContact CE-OE1 3.48Å; M12-E16 HydrophobicContact CG-CG 4.03Å; M12-E16 WeakPolarHBondContact CG-OE1 3.44Å; M12-E16 WeakPolarHBondContact O-CB 3.23Å; M12-E16 WeakPolarHBondContact O-CG 3.36Å; M12-E16 PolarHBondContact O-N 3.22Å
13Q73.2Confident57.3Low29 Ų2966.5 Ų66.514%0.13635%0.348CS..Hα-helixtrans-61.1-43.5173.3-67.5-50.1-55.900112.9P9 L10 I11 E16 H17 L63 N65 F79P9-Q13 VanDerWaalsContact O-CG 3.26Å; P9-Q13 WeakPolarHBondContact O-CG 3.46Å; P9-Q13 PolarHBondContact O-N 3.14Å; L10-Q13 WeakPolarHBondContact O-CB 3.46Å; L10-Q13 PolarHBondContact O-N 2.76Å; I11-Q13 VanDerWaalsContact C-N 3.33Å; I11-Q13 PolarHBondContact O-N 3.15Å; Q13-E16 PolarHBondContact NE2-OE2 3.14Å; Q13-H17 WeakPolarHBondContact O-CB 3.5Å; Q13-H17 PolarHBondContact O-N 3.19Å; Q13-L63 HydrophobicContact CB-CD1 4.19Å; Q13-L63 HydrophobicContact CG-CD1 3.78Å; Q13-N65 VanDerWaalsContact OE1-CG 3.22Å; Q13-N65 PolarHBondContact OE1-ND2 3.37Å; Q13-F79 HydrophobicContact CG-CZ 4.19Å
14V71Confident58.1Low3 Ų358.4 Ų58.42%0.01833%0.329CS..Hα-helixtrans-64.2-48.4176.5176.60000110.5L10 I11 M12 F18 F29 L39 F42L10-V14 PolarHBondContact O-N 3.12Å; I11-V14 PolarHBondContact O-N 3.46Å; M12-V14 PolarHBondContact O-N 3.43Å; V14-F18 HydrophobicContact CG1-CD2 4.34Å; V14-F18 HydrophobicContact CG1-CE2 4.34Å; V14-F18 WeakPolarHBondContact O-CD2 3.19Å; V14-F18 PolarHBondContact O-N 3.42Å; V14-F29 HydrophobicContact CG1-CE1 4.17Å; V14-F29 HydrophobicContact CG1-CZ 4.08Å; V14-L39 HydrophobicContact CG1-CD1 4.45Å; V14-F42 HydrophobicContact CB-CD2 4.42Å; V14-F42 HydrophobicContact CB-CE2 4.45Å; V14-F42 HydrophobicContact CG2-CD1 3.89Å; V14-F42 HydrophobicContact CG2-CD2 4Å; V14-F42 HydrophobicContact CG2-CE1 3.77Å; V14-F42 HydrophobicContact CG2-CE2 3.86Å; V14-F42 HydrophobicContact CG2-CG 4.01Å; V14-F42 HydrophobicContact CG2-CZ 3.74Å
15I67.6Low59Low53 Ų5355.2 Ų55.227%0.27231%0.313SS..Hα-helixtrans-64-50.2-179.9-68172.9000109.9I11 M12 H17 F18 Y19I11-I15 HydrophobicContact CG2-CD1 3.69Å; I11-I15 HydrophobicContact CG2-CG1 4.22Å; I11-I15 WeakPolarHBondContact O-CB 3.33Å; I11-I15 VanDerWaalsContact O-CG1 3.3Å; I11-I15 WeakPolarHBondContact O-CG1 3.46Å; I11-I15 PolarHBondContact O-N 2.9Å; M12-I15 PolarHBondContact O-N 2.9Å; I15-H17 VanDerWaalsContact C-N 3.34Å; I15-H17 PolarHBondContact O-N 3.19Å; I15-F18 CarbonylContact O-C 3.26Å; I15-F18 PolarHBondContact O-N 3.1Å; I15-Y19 HydrophobicContact CG2-CD2 4.39Å; I15-Y19 WeakPolarHBondContact O-CA 3.46Å; I15-Y19 WeakPolarHBondContact O-CB 3.47Å; I15-Y19 PolarHBondContact O-N 3.3Å
16E68.9Low59.6Low87 Ų8759 Ų5941%0.40733%0.329SS..Hα-helixtrans-59.4-42.5-179.3-76.3176.9166.100112.3M12 Q13 F18 Y19 A20M12-E16 WeakPolarHBondContact CE-OE1 3.48Å; M12-E16 HydrophobicContact CG-CG 4.03Å; M12-E16 WeakPolarHBondContact CG-OE1 3.44Å; M12-E16 WeakPolarHBondContact O-CB 3.23Å; M12-E16 WeakPolarHBondContact O-CG 3.36Å; M12-E16 PolarHBondContact O-N 3.22Å; Q13-E16 PolarHBondContact NE2-OE2 3.14Å; E16-F18 PolarHBondContact O-N 2.83Å; E16-Y19 PolarHBondContact O-N 2.86Å; E16-A20 WeakPolarHBondContact O-CB 3.26Å; E16-A20 PolarHBondContact O-N 3.41Å; E16-A20 VanDerWaalsContact O-N 3.1Å
17H69.3Low60.2Low32 Ų3260.8 Ų60.815%0.14834%0.335CS..Hα-helixtrans-56.7-38.1178.3176.564.5000112Q13 I15 H21 F42 E45 P64Q13-H17 WeakPolarHBondContact O-CB 3.5Å; Q13-H17 PolarHBondContact O-N 3.19Å; I15-H17 VanDerWaalsContact C-N 3.34Å; I15-H17 PolarHBondContact O-N 3.19Å; H17-H21 PolarHBondContact O-CD2 3.07Å; H17-F42 HydrophobicContact CB-CD2 4.33Å; H17-F42 AromaticContact CD2-CD2 3.94Å; H17-E45 IonicContact CE1-OE2 2.81Å; H17-E45 PolarHBondContact CE1-OE2 3.15Å; H17-E45 IonicContact NE2-OE2 3.2Å; H17-E45 PolarHBondContact NE2-OE2 3.34Å; H17-P64 VanDerWaalsContact CE1-CB 3.41Å; H17-P64 WeakPolarHBondContact CE1-CB 3.36Å; H17-P64 WeakPolarHBondContact ND1-CB 3.49Å
18F63.1Low60.6Low5 Ų564.6 Ų64.62%0.02235%0.347CS..Hα-helixtrans-96.6-28.4178.4-64.6-61.3000114.3V14 I15 E16 A20 H21 F22 L25 F38 V41 F42V14-F18 HydrophobicContact CG1-CD2 4.34Å; V14-F18 HydrophobicContact CG1-CE2 4.34Å; V14-F18 WeakPolarHBondContact O-CD2 3.19Å; V14-F18 PolarHBondContact O-N 3.42Å; I15-F18 CarbonylContact O-C 3.26Å; I15-F18 PolarHBondContact O-N 3.1Å; E16-F18 PolarHBondContact O-N 2.83Å; F18-A20 VanDerWaalsContact C-N 3.27Å; F18-A20 PolarHBondContact O-N 2.87Å; F18-H21 CarbonylContact O-C 3.59Å; F18-H21 PolarHBondContact O-N 3.22Å; F18-F22 HydrophobicContact CB-CD2 4.14Å; F18-F22 HydrophobicContact CD1-CD2 4.11Å; F18-F22 AromaticContact CD1-CE2 3.91Å; F18-F22 HydrophobicContact CD1-CE2 3.91Å; F18-F22 WeakPolarHBondContact O-CD2 3.43Å; F18-F22 PolarHBondContact O-N 3.39Å; F18-L25 HydrophobicContact CB-CD1 3.75Å; F18-F38 HydrophobicContact CD1-CB 4.42Å; F18-F38 AromaticContact CD1-CD1 3.78Å; F18-F38 HydrophobicContact CD1-CD1 3.78Å; F18-F38 HydrophobicContact CD1-CE1 4.42Å; F18-F38 HydrophobicContact CD1-CG 4.32Å; F18-F38 HydrophobicContact CD2-CB 3.79Å; F18-F38 HydrophobicContact CD2-CG 4.33Å; F18-F38 HydrophobicContact CE1-CB 4.35Å; F18-F38 AromaticContact CE1-CD1 3.97Å; F18-F38 HydrophobicContact CE1-CD1 3.97Å; F18-F38 HydrophobicContact CE2-CB 3.68Å; F18-F38 WeakPolarHBondContact CE2-O 3.33Å; F18-F38 HydrophobicContact CG-CB 4.16Å; F18-F38 HydrophobicContact CG-CD1 4.12Å; F18-F38 HydrophobicContact CG-CG 4.22Å; F18-F38 HydrophobicContact CZ-CB 4Å; F18-F38 HydrophobicContact CZ-CD1 4.45Å; F18-F38 WeakPolarHBondContact CZ-O 3.16Å; F18-V41 HydrophobicContact CE1-CB 4.17Å; F18-V41 HydrophobicContact CE1-CG1 3.88Å; F18-V41 HydrophobicContact CZ-CB 3.89Å; F18-V41 HydrophobicContact CZ-CG1 3.92Å; F18-F42 HydrophobicContact CE2-CB 3.78Å; F18-F42 HydrophobicContact CZ-CB 3.95Å
19Y60Low60.8Low129 Ų12965 Ų6551%0.50635%0.348SS..Hα-helixtrans-63-38.3177.8-170.3-78.4000110.4I15 E16 H21 G23 S24I15-Y19 HydrophobicContact CG2-CD2 4.39Å; I15-Y19 WeakPolarHBondContact O-CA 3.46Å; I15-Y19 WeakPolarHBondContact O-CB 3.47Å; I15-Y19 PolarHBondContact O-N 3.3Å; E16-Y19 PolarHBondContact O-N 2.86Å; Y19-H21 PolarHBondContact O-N 3.2Å; Y19-G23 PolarHBondContact O-N 3.11Å; Y19-S24 VanDerWaalsContact CE2-CA 3.42Å
20A54Low60.5Low74 Ų7465.9 Ų65.961%0.61235%0.35SS*.Hα-helixtrans-61.9-18173.400000113.6E16 F18E16-A20 WeakPolarHBondContact O-CB 3.26Å; E16-A20 PolarHBondContact O-N 3.41Å; E16-A20 VanDerWaalsContact O-N 3.1Å; F18-A20 VanDerWaalsContact C-N 3.27Å; F18-A20 PolarHBondContact O-N 2.87Å
21H52.3Low60.2Low134 Ų13470.2 Ų70.262%0.6238%0.381SS*.Hα-helixtrans-115.9-28.2-172.9-65.2-17.4000113.9H17 F18 Y19H17-H21 PolarHBondContact O-CD2 3.07Å; F18-H21 CarbonylContact O-C 3.59Å; F18-H21 PolarHBondContact O-N 3.22Å; Y19-H21 PolarHBondContact O-N 3.2Å
22F52Low60.3Low129 Ų12973 Ų7357%0.56640%0.396SS*.Hα-helixtrans-121.7-13.3-170.8-63.4-76000114.7F18 F38F18-F22 HydrophobicContact CB-CD2 4.14Å; F18-F22 HydrophobicContact CD1-CD2 4.11Å; F18-F22 AromaticContact CD1-CE2 3.91Å; F18-F22 HydrophobicContact CD1-CE2 3.91Å; F18-F22 WeakPolarHBondContact O-CD2 3.43Å; F18-F22 PolarHBondContact O-N 3.39Å; F22-F38 HydrophobicContact CD1-CE1 4.45Å; F22-F38 HydrophobicContact CD1-CZ 4.39Å; F22-F38 AromaticContact CD2-CE1 3.84Å; F22-F38 HydrophobicContact CD2-CE1 3.84Å; F22-F38 HydrophobicContact CD2-CZ 4.17Å; F22-F38 HydrophobicContact CE1-CE1 4.36Å; F22-F38 HydrophobicContact CE2-CD1 4.4Å; F22-F38 AromaticContact CE2-CE1 3.74Å; F22-F38 HydrophobicContact CE2-CE1 3.74Å; F22-F38 HydrophobicContact CE2-CZ 4.47Å; F22-F38 HydrophobicContact CG-CE1 4.21Å; F22-F38 HydrophobicContact CG-CZ 4.13Å; F22-F38 HydrophobicContact CZ-CE1 4.02Å
23G49.3Very low60.3Low43 Ų4371.6 Ų71.644%0.44339%0.393SS..SBendtrans71.5139.7-178.600000113.3Y19 L25Y19-G23 PolarHBondContact O-N 3.11Å; G23-L25 PolarHBondContact O-N 2.97Å
24S48.6Very low60.4Low77 Ų7774.7 Ų74.754%0.53841%0.41SS..  trans13.488.9-175.1760000117.6Y19 D26Y19-S24 VanDerWaalsContact CE2-CA 3.42Å; S24-D26 PolarHBondContact O-N 3.44Å
25L53.3Low60.7Low37 Ų3774.6 Ų74.619%0.19441%0.41CS..  trans-70.6106.3157.8-72.9172.2000108.1F18 G23 F29 F38F18-L25 HydrophobicContact CB-CD1 3.75Å; G23-L25 PolarHBondContact O-N 2.97Å; L25-F29 HydrophobicContact CD1-CD2 3.74Å; L25-F29 HydrophobicContact CD1-CE2 3.81Å; L25-F29 HydrophobicContact CD2-CD2 3.73Å; L25-F29 HydrophobicContact CD2-CE2 4.2Å; L25-F29 HydrophobicContact CG-CD2 4.19Å; L25-F38 HydrophobicContact CD2-CD2 4.25Å; L25-F38 HydrophobicContact CD2-CE2 4.06Å
26D52.1Low61.3Low125 Ų12574.8 Ų74.867%0.66841%0.412SS*.  trans-63160.2173.5-83.2-30.6000111.2S24 N28 F29S24-D26 PolarHBondContact O-N 3.44Å; D26-N28 PolarHBondContact O-N 3.18Å; D26-F29 PolarHBondContact O-N 2.76Å; D26-F29 VanDerWaalsContact O-N 3.16Å
27N52.3Low62.1Low154 Ų15472.1 Ų72.182%0.82440%0.4SS*.THydrogen-bonded Turntrans-54.6-2.6-177.6-70.1-34.5000115.9
28N57.8Low62.8Low114 Ų11472 Ų7261%0.6140%0.399SS*.THydrogen-bonded Turntrans-9910.9179.7-74.9-11.1000114.2D26 M30 S31 D32D26-N28 PolarHBondContact O-N 3.18Å; N28-M30 PolarHBondContact O-N 3.37Å; N28-M30 VanDerWaalsContact O-N 3.08Å; N28-S31 WeakPolarHBondContact CB-OG 3.47Å; N28-S31 WeakPolarHBondContact O-CA 3.29Å; N28-S31 PolarHBondContact O-N 3.33Å; N28-S31 PolarHBondContact O-OG 3.39Å; N28-D32 PolarHBondContact O-N 2.99Å; N28-D32 VanDerWaalsContact O-N 3.13Å
29F61.7Low63.9Low16 Ų1671.8 Ų71.87%0.0740%0.398CS..G310 helixtrans-44.4-44.4179.7177.9-93.3000113.7V14 L25 D26 S31 D32 G35 F38V14-F29 HydrophobicContact CG1-CE1 4.17Å; V14-F29 HydrophobicContact CG1-CZ 4.08Å; L25-F29 HydrophobicContact CD1-CD2 3.74Å; L25-F29 HydrophobicContact CD1-CE2 3.81Å; L25-F29 HydrophobicContact CD2-CD2 3.73Å; L25-F29 HydrophobicContact CD2-CE2 4.2Å; L25-F29 HydrophobicContact CG-CD2 4.19Å; D26-F29 PolarHBondContact O-N 2.76Å; D26-F29 VanDerWaalsContact O-N 3.16Å; F29-S31 PolarHBondContact O-N 3.04Å; F29-D32 PolarHBondContact O-N 2.84Å; F29-G35 WeakPolarHBondContact CZ-O 3.32Å; F29-G35 WeakPolarHBondContact O-CA 3.49Å; F29-F38 HydrophobicContact CD2-CD2 4.37Å; F29-F38 HydrophobicContact CE2-CB 3.55Å; F29-F38 AromaticContact CE2-CD2 3.65Å; F29-F38 HydrophobicContact CE2-CD2 3.65Å; F29-F38 HydrophobicContact CE2-CG 4.04Å; F29-F38 HydrophobicContact CZ-CB 3.6Å
30M61.4Low65.3Low39 Ų3965.8 Ų65.819%0.19238%0.375CS..G310 helixtrans-69.4-19.4-177.9-64.9-60.8167.800114.2N28 K177 I180 L184N28-M30 PolarHBondContact O-N 3.37Å; N28-M30 VanDerWaalsContact O-N 3.08Å; M30-K177 WeakPolarHBondContact O-CE 3.24Å; M30-K177 PolarHBondContact O-NZ 3.16Å; M30-K177 HydrophobicContact SD-CG 4.5Å; M30-I180 HydrophobicContact CE-CG2 4.09Å; M30-L184 HydrophobicContact CG-CD1 3.86Å
31S62.3Low67Low92 Ų9263 Ų6364%0.64335%0.35SS*.G310 helixtrans-101.3-6.7178.155.90000114N28 F29N28-S31 WeakPolarHBondContact CB-OG 3.47Å; N28-S31 WeakPolarHBondContact O-CA 3.29Å; N28-S31 PolarHBondContact O-N 3.33Å; N28-S31 PolarHBondContact O-OG 3.39Å; F29-S31 PolarHBondContact O-N 3.04Å
32D69.1Low68.8Low70 Ų7056.7 Ų56.737%0.37432%0.321SS..SBendtrans-87.3131.4178.5-166.9-35.3000110.2N28 F29 L34 G35N28-D32 PolarHBondContact O-N 2.99Å; N28-D32 VanDerWaalsContact O-N 3.13Å; F29-D32 PolarHBondContact O-N 2.84Å; D32-L34 PolarHBondContact O-N 2.99Å; D32-L34 VanDerWaalsContact O-N 3.16Å; D32-L34 WeakPolarHBondContact OD1-CB 3.37Å; D32-L34 PolarHBondContact OD1-N 2.99Å; D32-G35 WeakPolarHBondContact O-CA 3.35Å; D32-G35 PolarHBondContact O-N 2.89Å
33P67.6Low70.6Confident61 Ų6150.6 Ų50.640%0.39630%0.295SS..Hα-helixtrans-52.3-29.9169.9-26.534.3000114.4G35 P132P33-G35 VanDerWaalsContact C-N 3.32Å; P33-P132 HydrophobicContact CB-CG 4.37Å
34L75.2Confident72.7Confident94 Ų9449.2 Ų49.249%0.49228%0.276SS..Hα-helixtrans-69.8-31173-65.2176.9000112.1D32 D36 I37 F38D32-L34 PolarHBondContact O-N 2.99Å; D32-L34 VanDerWaalsContact O-N 3.16Å; D32-L34 WeakPolarHBondContact OD1-CB 3.37Å; D32-L34 PolarHBondContact OD1-N 2.99Å; L34-D36 VanDerWaalsContact C-N 3.29Å; L34-D36 PolarHBondContact O-N 3.08Å; L34-I37 HydrophobicContact CD2-CD1 4.24Å; L34-I37 PolarHBondContact O-N 2.96Å; L34-F38 HydrophobicContact CB-CD2 4.28Å; L34-F38 HydrophobicContact CB-CE2 3.91Å; L34-F38 WeakPolarHBondContact O-CD2 3.39Å; L34-F38 WeakPolarHBondContact O-CG 3.43Å; L34-F38 PolarHBondContact O-N 3.49Å
35G76.4Confident74.7Confident2 Ų248.7 Ų48.72%0.02127%0.265CS..Hα-helixtrans-62.5-35176.100000113.2F29 D32 P33 I37 F38 L39F29-G35 WeakPolarHBondContact CZ-O 3.32Å; F29-G35 WeakPolarHBondContact O-CA 3.49Å; D32-G35 WeakPolarHBondContact O-CA 3.35Å; D32-G35 PolarHBondContact O-N 2.89Å; P33-G35 VanDerWaalsContact C-N 3.32Å; G35-I37 VanDerWaalsContact C-N 3.35Å; G35-F38 PolarHBondContact O-N 2.9Å; G35-L39 VanDerWaalsContact O-CB 3.25Å; G35-L39 WeakPolarHBondContact O-CB 3.33Å; G35-L39 PolarHBondContact O-N 3.38Å
36D79.9Confident76.4Confident57 Ų5747 Ų4731%0.30526%0.257SS..Hα-helixtrans-65.5-38.5174.1-76.4-28.3000112.4L34 L40 K177L34-D36 VanDerWaalsContact C-N 3.29Å; L34-D36 PolarHBondContact O-N 3.08Å; D36-L40 WeakPolarHBondContact O-CB 3.4Å; D36-L40 PolarHBondContact O-N 3.39Å; D36-K177 WeakPolarHBondContact OD1-CD 3.38Å; D36-K177 WeakPolarHBondContact OD1-CE 3.34Å; D36-K177 IonicContact OD1-NZ 2.63Å; D36-K177 PolarHBondContact OD1-NZ 2.84Å; D36-K177 IonicContact OD2-NZ 3.34Å; D36-K177 PolarHBondContact OD2-NZ 3.16Å
37I85.6Confident78.4Confident30 Ų3041.2 Ų41.215%0.15423%0.226CC..Hα-helixtrans-67.9-48.7177.1-58.9170.4000109.6L34 G35 L39 L40 V41 I127 A130 V131L34-I37 HydrophobicContact CD2-CD1 4.24Å; L34-I37 PolarHBondContact O-N 2.96Å; G35-I37 VanDerWaalsContact C-N 3.35Å; I37-L39 PolarHBondContact O-N 3.45Å; I37-L40 WeakPolarHBondContact O-CB 3.36Å; I37-L40 PolarHBondContact O-N 2.92Å; I37-V41 WeakPolarHBondContact O-CG2 3.49Å; I37-V41 PolarHBondContact O-N 3.4Å; I37-I127 HydrophobicContact CG2-CG2 4.32Å; I37-A130 HydrophobicContact CG1-CB 4.12Å; I37-V131 HydrophobicContact CD1-CG2 3.71Å; I37-V131 HydrophobicContact CG1-CG2 4.37Å
38F84.6Confident80.3Confident30 Ų3035.3 Ų35.313%0.13220%0.195CC..Hα-helixtrans-61.2-45.7178.1-68.3-43.5000111.8F18 F22 L25 F29 L34 G35 L40 V41 F42F18-F38 HydrophobicContact CD1-CB 4.42Å; F18-F38 AromaticContact CD1-CD1 3.78Å; F18-F38 HydrophobicContact CD1-CD1 3.78Å; F18-F38 HydrophobicContact CD1-CE1 4.42Å; F18-F38 HydrophobicContact CD1-CG 4.32Å; F18-F38 HydrophobicContact CD2-CB 3.79Å; F18-F38 HydrophobicContact CD2-CG 4.33Å; F18-F38 HydrophobicContact CE1-CB 4.35Å; F18-F38 AromaticContact CE1-CD1 3.97Å; F18-F38 HydrophobicContact CE1-CD1 3.97Å; F18-F38 HydrophobicContact CE2-CB 3.68Å; F18-F38 WeakPolarHBondContact CE2-O 3.33Å; F18-F38 HydrophobicContact CG-CB 4.16Å; F18-F38 HydrophobicContact CG-CD1 4.12Å; F18-F38 HydrophobicContact CG-CG 4.22Å; F18-F38 HydrophobicContact CZ-CB 4Å; F18-F38 HydrophobicContact CZ-CD1 4.45Å; F18-F38 WeakPolarHBondContact CZ-O 3.16Å; F22-F38 HydrophobicContact CD1-CE1 4.45Å; F22-F38 HydrophobicContact CD1-CZ 4.39Å; F22-F38 AromaticContact CD2-CE1 3.84Å; F22-F38 HydrophobicContact CD2-CE1 3.84Å; F22-F38 HydrophobicContact CD2-CZ 4.17Å; F22-F38 HydrophobicContact CE1-CE1 4.36Å; F22-F38 HydrophobicContact CE2-CD1 4.4Å; F22-F38 AromaticContact CE2-CE1 3.74Å; F22-F38 HydrophobicContact CE2-CE1 3.74Å; F22-F38 HydrophobicContact CE2-CZ 4.47Å; F22-F38 HydrophobicContact CG-CE1 4.21Å; F22-F38 HydrophobicContact CG-CZ 4.13Å; F22-F38 HydrophobicContact CZ-CE1 4.02Å; L25-F38 HydrophobicContact CD2-CD2 4.25Å; L25-F38 HydrophobicContact CD2-CE2 4.06Å; F29-F38 HydrophobicContact CD2-CD2 4.37Å; F29-F38 HydrophobicContact CE2-CB 3.55Å; F29-F38 AromaticContact CE2-CD2 3.65Å; F29-F38 HydrophobicContact CE2-CD2 3.65Å; F29-F38 HydrophobicContact CE2-CG 4.04Å; F29-F38 HydrophobicContact CZ-CB 3.6Å; L34-F38 HydrophobicContact CB-CD2 4.28Å; L34-F38 HydrophobicContact CB-CE2 3.91Å; L34-F38 WeakPolarHBondContact O-CD2 3.39Å; L34-F38 WeakPolarHBondContact O-CG 3.43Å; L34-F38 PolarHBondContact O-N 3.49Å; G35-F38 PolarHBondContact O-N 2.9Å; F38-L40 VanDerWaalsContact C-N 3.28Å; F38-L40 PolarHBondContact O-N 2.87Å; F38-V41 PolarHBondContact O-N 2.76Å; F38-V41 VanDerWaalsContact O-N 3.15Å; F38-F42 PolarHBondContact O-N 2.92Å
39L86Confident81.8Confident1 Ų131.4 Ų31.41%0.00517%0.174CC..Hα-helixtrans-60-40.7176.1-173.363.5000111.7V14 G35 I37 F42 V43 T173 F176 K177V14-L39 HydrophobicContact CG1-CD1 4.45Å; G35-L39 VanDerWaalsContact O-CB 3.25Å; G35-L39 WeakPolarHBondContact O-CB 3.33Å; G35-L39 PolarHBondContact O-N 3.38Å; I37-L39 PolarHBondContact O-N 3.45Å; L39-F42 PolarHBondContact O-N 3.14Å; L39-V43 WeakPolarHBondContact O-CB 3.38Å; L39-V43 WeakPolarHBondContact O-CG2 3.35Å; L39-V43 PolarHBondContact O-N 3Å; L39-T173 HydrophobicContact CB-CG2 4.44Å; L39-T173 HydrophobicContact CD2-CG2 4.17Å; L39-T173 HydrophobicContact CG-CG2 4.01Å; L39-F176 HydrophobicContact CD1-CD1 3.77Å; L39-F176 HydrophobicContact CD1-CE1 3.62Å; L39-F176 HydrophobicContact CD2-CD1 4.41Å; L39-F176 HydrophobicContact CG-CD1 4.29Å; L39-K177 HydrophobicContact CD2-CB 3.55Å; L39-K177 HydrophobicContact CD2-CD 4.35Å; L39-K177 HydrophobicContact CD2-CG 3.9Å
40L90.7Very high83.2Confident2 Ų230.7 Ų30.71%0.0117%0.171CC..Hα-helixtrans-62.7-43.5175.1-177.6138.3000112.1D36 I37 F38 F42 V43 F44 C126 I127 A130 I169 H170 T173D36-L40 WeakPolarHBondContact O-CB 3.4Å; D36-L40 PolarHBondContact O-N 3.39Å; I37-L40 WeakPolarHBondContact O-CB 3.36Å; I37-L40 PolarHBondContact O-N 2.92Å; F38-L40 VanDerWaalsContact C-N 3.28Å; F38-L40 PolarHBondContact O-N 2.87Å; L40-F42 VanDerWaalsContact C-N 3.34Å; L40-F42 PolarHBondContact O-N 2.9Å; L40-V43 PolarHBondContact O-N 3.4Å; L40-F44 VanDerWaalsContact O-CB 3.28Å; L40-F44 WeakPolarHBondContact O-CB 3.05Å; L40-F44 PolarHBondContact O-N 3.22Å; L40-C126 HydrophobicContact CD1-CB 4.21Å; L40-C126 HydrophobicContact CD2-CB 3.74Å; L40-I127 HydrophobicContact CD2-CG1 4.29Å; L40-A130 HydrophobicContact CD1-CB 4.12Å; L40-I169 HydrophobicContact CD1-CG2 4.18Å; L40-I169 HydrophobicContact CG-CG2 4.26Å; L40-H170 WeakPolarHBondContact CD1-CE1 3.36Å; L40-H170 WeakPolarHBondContact CD1-ND1 3.34Å; L40-T173 HydrophobicContact CB-CG2 4.08Å
41V89.7Confident84.7Confident16 Ų1629.3 Ų29.310%0.09717%0.166CC..Hα-helixtrans-59.8-46.9176.6171.10000110.4F18 I37 F38 V43 F44 E45 F123 I127F18-V41 HydrophobicContact CE1-CB 4.17Å; F18-V41 HydrophobicContact CE1-CG1 3.88Å; F18-V41 HydrophobicContact CZ-CB 3.89Å; F18-V41 HydrophobicContact CZ-CG1 3.92Å; I37-V41 WeakPolarHBondContact O-CG2 3.49Å; I37-V41 PolarHBondContact O-N 3.4Å; F38-V41 PolarHBondContact O-N 2.76Å; F38-V41 VanDerWaalsContact O-N 3.15Å; V41-V43 PolarHBondContact O-N 3.34Å; V41-F44 WeakPolarHBondContact O-CB 3.3Å; V41-F44 PolarHBondContact O-N 2.79Å; V41-E45 WeakPolarHBondContact O-CG 3.48Å; V41-E45 PolarHBondContact O-N 3.19Å; V41-F123 HydrophobicContact CG1-CE2 4.34Å; V41-F123 HydrophobicContact CG1-CZ 4.36Å; V41-F123 HydrophobicContact CG2-CE2 4.01Å; V41-F123 HydrophobicContact CG2-CZ 4.07Å; V41-I127 HydrophobicContact CG2-CD1 4.05Å; V41-I127 HydrophobicContact CG2-CG1 4.29Å
42F88.4Confident85.9Confident1 Ų129.7 Ų29.70%0.00416%0.164CC..Hα-helixtrans-59.8-47.1177.7178.8-86.6000112V14 H17 F18 F38 L39 L40 F44 E45 A46 L63 P64 F98V14-F42 HydrophobicContact CB-CD2 4.42Å; V14-F42 HydrophobicContact CB-CE2 4.45Å; V14-F42 HydrophobicContact CG2-CD1 3.89Å; V14-F42 HydrophobicContact CG2-CD2 4Å; V14-F42 HydrophobicContact CG2-CE1 3.77Å; V14-F42 HydrophobicContact CG2-CE2 3.86Å; V14-F42 HydrophobicContact CG2-CG 4.01Å; V14-F42 HydrophobicContact CG2-CZ 3.74Å; H17-F42 HydrophobicContact CB-CD2 4.33Å; H17-F42 AromaticContact CD2-CD2 3.94Å; F18-F42 HydrophobicContact CE2-CB 3.78Å; F18-F42 HydrophobicContact CZ-CB 3.95Å; F38-F42 PolarHBondContact O-N 2.92Å; L39-F42 PolarHBondContact O-N 3.14Å; L40-F42 VanDerWaalsContact C-N 3.34Å; L40-F42 PolarHBondContact O-N 2.9Å; F42-F44 VanDerWaalsContact C-N 3.33Å; F42-F44 PolarHBondContact O-N 3.24Å; F42-E45 PolarHBondContact O-N 2.99Å; F42-A46 VanDerWaalsContact O-CB 3.25Å; F42-A46 WeakPolarHBondContact O-CB 3.43Å; F42-A46 PolarHBondContact O-N 3.37Å; F42-L63 HydrophobicContact CZ-CD2 4.08Å; F42-P64 HydrophobicContact CD2-CG 3.65Å; F42-P64 VanDerWaalsContact CE2-CD 3.49Å; F42-P64 HydrophobicContact CE2-CG 3.78Å; F42-P64 HydrophobicContact CG-CG 4.25Å; F42-P64 HydrophobicContact CZ-CG 4.46Å; F42-F98 HydrophobicContact CE1-CZ 4.47Å
43V90.6Very high86.7Confident2 Ų230.9 Ų30.91%0.01217%0.166CC..Hα-helixtrans-62.5-42.4177.9166.90000111L39 L40 V41 C47 L101 T173 F176L39-V43 WeakPolarHBondContact O-CB 3.38Å; L39-V43 WeakPolarHBondContact O-CG2 3.35Å; L39-V43 PolarHBondContact O-N 3Å; L40-V43 PolarHBondContact O-N 3.4Å; V41-V43 PolarHBondContact O-N 3.34Å; V43-C47 WeakPolarHBondContact O-CB 3.19Å; V43-C47 PolarHBondContact O-N 3.41Å; V43-C47 PolarHBondContact O-SG 2.87Å; V43-L101 HydrophobicContact CG1-CD1 3.75Å; V43-L101 HydrophobicContact CG1-CD2 3.49Å; V43-L101 VanDerWaalsContact CG1-CD2 3.49Å; V43-L101 HydrophobicContact CG1-CG 4.24Å; V43-L101 HydrophobicContact CG2-CD1 4.11Å; V43-T173 WeakPolarHBondContact CG1-OG1 3.18Å; V43-T173 HydrophobicContact CG2-CG2 4.42Å; V43-F176 HydrophobicContact CG2-CD1 3.71Å; V43-F176 HydrophobicContact CG2-CE1 4.15Å
44F92.7Very high87.3Confident14 Ų1428.1 Ų28.16%0.06115%0.149CC..Hα-helixtrans-59.2-54.1177.9-173.9-83.7000110.9L40 V41 F42 A46 C47 V48 F109 L122 F123 I169L40-F44 VanDerWaalsContact O-CB 3.28Å; L40-F44 WeakPolarHBondContact O-CB 3.05Å; L40-F44 PolarHBondContact O-N 3.22Å; V41-F44 WeakPolarHBondContact O-CB 3.3Å; V41-F44 PolarHBondContact O-N 2.79Å; F42-F44 VanDerWaalsContact C-N 3.33Å; F42-F44 PolarHBondContact O-N 3.24Å; F44-A46 PolarHBondContact O-N 3.35Å; F44-C47 PolarHBondContact O-N 3.31Å; F44-V48 HydrophobicContact CD1-CG2 3.99Å; F44-V48 HydrophobicContact CE1-CG2 3.66Å; F44-V48 HydrophobicContact CZ-CG2 4.19Å; F44-V48 WeakPolarHBondContact O-CG2 3.44Å; F44-V48 PolarHBondContact O-N 2.98Å; F44-F109 HydrophobicContact CD2-CZ 4.44Å; F44-F109 HydrophobicContact CE2-CZ 4.13Å; F44-F109 HydrophobicContact CZ-CZ 4.43Å; F44-L122 HydrophobicContact CE2-CD2 4.09Å; F44-L122 HydrophobicContact CE2-CG 4Å; F44-F123 HydrophobicContact CB-CD2 4.48Å; F44-F123 AromaticContact CD1-CD2 3.6Å; F44-F123 HydrophobicContact CD1-CD2 3.6Å; F44-F123 HydrophobicContact CD1-CE2 4.1Å; F44-F123 HydrophobicContact CD2-CD2 4.11Å; F44-F123 HydrophobicContact CE1-CB 4.02Å; F44-F123 AromaticContact CE1-CD2 3.75Å; F44-F123 HydrophobicContact CE1-CD2 3.75Å; F44-F123 HydrophobicContact CE1-CG 4.24Å; F44-F123 HydrophobicContact CE2-CB 4.13Å; F44-F123 HydrophobicContact CE2-CD2 4.25Å; F44-F123 AromaticContact CG-CD2 3.8Å; F44-F123 HydrophobicContact CG-CD2 3.8Å; F44-F123 HydrophobicContact CG-CE2 4.32Å; F44-F123 HydrophobicContact CZ-CB 3.72Å; F44-F123 HydrophobicContact CZ-CD2 4.09Å; F44-F123 HydrophobicContact CZ-CG 4.37Å; F44-I169 HydrophobicContact CD2-CD1 3.88Å; F44-I169 HydrophobicContact CE2-CD1 4.01Å
45E90.8Very high87.5Confident66 Ų6625.6 Ų25.631%0.30815%0.146SC..Hα-helixtrans-62.2-44-179.7-72.1-174.5-171.300112.2H17 V41 F42 C47 V48 L49 P64H17-E45 IonicContact CE1-OE2 2.81Å; H17-E45 PolarHBondContact CE1-OE2 3.15Å; H17-E45 IonicContact NE2-OE2 3.2Å; H17-E45 PolarHBondContact NE2-OE2 3.34Å; V41-E45 WeakPolarHBondContact O-CG 3.48Å; V41-E45 PolarHBondContact O-N 3.19Å; F42-E45 PolarHBondContact O-N 2.99Å; E45-C47 VanDerWaalsContact C-N 3.29Å; E45-C47 PolarHBondContact O-N 3.04Å; E45-V48 PolarHBondContact O-N 3.31Å; E45-L49 WeakPolarHBondContact O-CB 3.5Å; E45-L49 WeakPolarHBondContact O-CG 3.27Å; E45-L49 PolarHBondContact O-N 2.96Å; E45-P64 HydrophobicContact CB-CB 4.42Å; E45-P64 HydrophobicContact CB-CG 3.98Å
46A90.4Very high87.8Confident1 Ų133 Ų331%0.00818%0.183CC..Hα-helixtrans-58.6-42.217600000111.5F42 F44 T50 L61 F62F42-A46 VanDerWaalsContact O-CB 3.25Å; F42-A46 WeakPolarHBondContact O-CB 3.43Å; F42-A46 PolarHBondContact O-N 3.37Å; F44-A46 PolarHBondContact O-N 3.35Å; A46-T50 WeakPolarHBondContact O-CB 3.4Å; A46-T50 PolarHBondContact O-N 3.44Å; A46-T50 PolarHBondContact O-OG1 2.84Å; A46-L61 HydrophobicContact CB-CD1 4.49Å; A46-F62 WeakPolarHBondContact CA-O 3.41Å
47C92.5Very high87.9Confident3 Ų337.5 Ų37.52%0.0220%0.202CC..Hα-helixtrans-68.8-39.8178-68.80000112.3V43 F44 E45 T50 A51 V105 S106 F109V43-C47 WeakPolarHBondContact O-CB 3.19Å; V43-C47 PolarHBondContact O-N 3.41Å; V43-C47 PolarHBondContact O-SG 2.87Å; F44-C47 PolarHBondContact O-N 3.31Å; E45-C47 VanDerWaalsContact C-N 3.29Å; E45-C47 PolarHBondContact O-N 3.04Å; C47-T50 PolarHBondContact O-N 2.92Å; C47-A51 VanDerWaalsContact O-CB 3.29Å; C47-A51 WeakPolarHBondContact O-CB 3.33Å; C47-A51 PolarHBondContact O-N 2.7Å; C47-V105 HydrophobicContact CB-CB 4.2Å; C47-V105 HydrophobicContact CB-CG1 3.71Å; C47-S106 VanDerWaalsContact CA-OG 3.29Å; C47-S106 WeakPolarHBondContact CA-OG 3.48Å; C47-S106 WeakPolarHBondContact O-CB 3.49Å; C47-S106 PolarHBondContact O-OG 3.37Å; C47-S106 VanDerWaalsContact O-OG 3.09Å; C47-F109 HydrophobicContact CB-CD2 4.11Å; C47-F109 HydrophobicContact CB-CE2 3.56Å
48V92.1Very high87.8Confident31 Ų3136.4 Ų36.419%0.18820%0.197CC..Hα-helixtrans-64.8-46.2176.3172.50000110.8F44 E45 T50 A51 T52 F109 L119F44-V48 HydrophobicContact CD1-CG2 3.99Å; F44-V48 HydrophobicContact CE1-CG2 3.66Å; F44-V48 HydrophobicContact CZ-CG2 4.19Å; F44-V48 WeakPolarHBondContact O-CG2 3.44Å; F44-V48 PolarHBondContact O-N 2.98Å; E45-V48 PolarHBondContact O-N 3.31Å; V48-T50 VanDerWaalsContact C-N 3.32Å; V48-T50 PolarHBondContact O-N 3.09Å; V48-A51 PolarHBondContact O-N 3.44Å; V48-T52 WeakPolarHBondContact O-CG2 3.45Å; V48-T52 PolarHBondContact O-N 3.43Å; V48-T52 PolarHBondContact O-OG1 2.71Å; V48-F109 HydrophobicContact CB-CD2 4.38Å; V48-F109 HydrophobicContact CB-CE2 4.23Å; V48-F109 HydrophobicContact CG2-CD2 3.82Å; V48-F109 HydrophobicContact CG2-CE2 3.37Å; V48-F109 HydrophobicContact CG2-CZ 3.91Å; V48-L119 HydrophobicContact CG2-CD2 4.26Å
49L90.7Very high87.7Confident32 Ų3238.3 Ų38.317%0.16821%0.208CC..Hα-helixtrans-63-41.1176.8-73.6171000111.6E45 T52 K53 F62 L63 M66E45-L49 WeakPolarHBondContact O-CB 3.5Å; E45-L49 WeakPolarHBondContact O-CG 3.27Å; E45-L49 PolarHBondContact O-N 2.96Å; L49-T52 WeakPolarHBondContact CA-OG1 3.47Å; L49-T52 PolarHBondContact O-N 2.88Å; L49-T52 PolarHBondContact O-OG1 3.23Å; L49-K53 VanDerWaalsContact O-CB 3.32Å; L49-K53 WeakPolarHBondContact O-CB 3.16Å; L49-K53 PolarHBondContact O-N 2.87Å; L49-F62 HydrophobicContact CB-CB 3.91Å; L49-L63 WeakPolarHBondContact CD1-O 3.32Å; L49-M66 HydrophobicContact CD2-SD 4.26Å
50T91.6Very high87.7Confident0 Ų043.2 Ų43.20%023%0.227CC..Hα-helixtrans-66.6-40.6177.1-61.40000111.5A46 C47 V48 T52 G54 L58 R60 F62 V102A46-T50 WeakPolarHBondContact O-CB 3.4Å; A46-T50 PolarHBondContact O-N 3.44Å; A46-T50 PolarHBondContact O-OG1 2.84Å; C47-T50 PolarHBondContact O-N 2.92Å; V48-T50 VanDerWaalsContact C-N 3.32Å; V48-T50 PolarHBondContact O-N 3.09Å; T50-T52 VanDerWaalsContact C-N 3.29Å; T50-T52 PolarHBondContact O-N 3.46Å; T50-G54 WeakPolarHBondContact O-CA 3.29Å; T50-G54 PolarHBondContact O-N 2.97Å; T50-L58 HydrophobicContact CG2-CD2 4.08Å; T50-L58 WeakPolarHBondContact O-CD2 3.16Å; T50-R60 WeakPolarHBondContact CG2-O 3.27Å; T50-F62 PolarHBondContact OG1-N 2.87Å; T50-F62 PolarHBondContact OG1-O 3.32Å; T50-V102 HydrophobicContact CG2-CB 4.44Å; T50-V102 HydrophobicContact CG2-CG1 3.67Å; T50-V102 HydrophobicContact CG2-CG2 4Å
51A91.1Very high87.5Confident10 Ų1043.1 Ų43.18%0.08323%0.226CC..Hα-helixtrans-60.9-38.817500000112.5C47 V48 S106 F109 Q110C47-A51 VanDerWaalsContact O-CB 3.29Å; C47-A51 WeakPolarHBondContact O-CB 3.33Å; C47-A51 PolarHBondContact O-N 2.7Å; V48-A51 PolarHBondContact O-N 3.44Å; A51-S106 VanDerWaalsContact CB-O 3.27Å; A51-S106 WeakPolarHBondContact CB-O 3.36Å; A51-F109 HydrophobicContact CB-CB 3.53Å; A51-F109 HydrophobicContact CB-CD2 4.09Å; A51-F109 HydrophobicContact CB-CG 4.34Å; A51-Q110 HydrophobicContact CB-CG 3.98Å; A51-Q110 VanDerWaalsContact O-CG 3.26Å; A51-Q110 WeakPolarHBondContact O-CG 3.31Å; A51-Q110 PolarHBondContact O-NE2 3.29Å
52T87.8Confident87.4Confident100 Ų10043.6 Ų43.661%0.61323%0.227SC*.Hα-helixtrans-83.2-33.3-17752.30000113.4V48 L49 T50V48-T52 WeakPolarHBondContact O-CG2 3.45Å; V48-T52 PolarHBondContact O-N 3.43Å; V48-T52 PolarHBondContact O-OG1 2.71Å; L49-T52 WeakPolarHBondContact CA-OG1 3.47Å; L49-T52 PolarHBondContact O-N 2.88Å; L49-T52 PolarHBondContact O-OG1 3.23Å; T50-T52 VanDerWaalsContact C-N 3.29Å; T50-T52 PolarHBondContact O-N 3.46Å
53K86.7Confident87.3Confident96 Ų9643.5 Ų43.542%0.41723%0.227SC..Hα-helixtrans-116.3-18.9-171.6-60.9-174.2175-170.30115.2L49 G55 F62 M66L49-K53 VanDerWaalsContact O-CB 3.32Å; L49-K53 WeakPolarHBondContact O-CB 3.16Å; L49-K53 PolarHBondContact O-N 2.87Å; K53-G55 PolarHBondContact O-N 3.21Å; K53-G55 VanDerWaalsContact O-N 3.1Å; K53-F62 VanDerWaalsContact C-CE2 3.49Å; K53-F62 HydrophobicContact CB-CD1 4.07Å; K53-F62 HydrophobicContact CB-CD2 3.96Å; K53-F62 HydrophobicContact CB-CE1 3.89Å; K53-F62 HydrophobicContact CB-CE2 3.78Å; K53-F62 HydrophobicContact CB-CG 4.1Å; K53-F62 HydrophobicContact CB-CZ 3.73Å; K53-F62 HydrophobicContact CD-CD1 4.14Å; K53-F62 HydrophobicContact CD-CE1 4.17Å; K53-F62 WeakPolarHBondContact O-CE2 3.19Å; K53-M66 PolarHBondContact NZ-SD 3.5Å
54G79.7Confident86.9Confident3 Ų344.3 Ų44.33%0.03123%0.232CC..SBendtrans-70.42.4-17900000115.2T50 L58T50-G54 WeakPolarHBondContact O-CA 3.29Å; T50-G54 PolarHBondContact O-N 2.97Å; G54-L58 WeakPolarHBondContact O-CA 3.49Å; G54-L58 PolarHBondContact O-N 2.93Å
55G80.5Confident86.3Confident41 Ų4147.1 Ų47.142%0.42325%0.248SC..THydrogen-bonded Turntrans64.9-174.4-17600000112.8K53 Q57 Q110K53-G55 PolarHBondContact O-N 3.21Å; K53-G55 VanDerWaalsContact O-N 3.1Å; G55-Q57 VanDerWaalsContact C-N 3.29Å; G55-Q57 PolarHBondContact O-N 3.31Å; G55-Q110 PolarHBondContact O-NE2 3.19Å
56I81.3Confident85.9Confident157 Ų15748.9 Ų48.981%0.80526%0.257SS*.THydrogen-bonded Turntrans-68.8-31.4-176.3-63.2169.6000111.5
57Q82.1Confident85.6Confident151 Ų15151.5 Ų51.571%0.70627%0.273SS*.THydrogen-bonded Turntrans-82.4-19.8-174.7-66.1-175.4-800112.8G55 D59G55-Q57 VanDerWaalsContact C-N 3.29Å; G55-Q57 PolarHBondContact O-N 3.31Å; Q57-D59 HydrophobicContact CB-CB 4.47Å; Q57-D59 PolarHBondContact O-N 3.09Å
58L84.5Confident85.2Confident7 Ų756 Ų564%0.03729%0.293CS..THydrogen-bonded Turntrans52.241.9-175.7-59.6175.2000111.5T50 G54 R60 V102 R107T50-L58 HydrophobicContact CG2-CD2 4.08Å; T50-L58 WeakPolarHBondContact O-CD2 3.16Å; G54-L58 WeakPolarHBondContact O-CA 3.49Å; G54-L58 PolarHBondContact O-N 2.93Å; L58-R60 VanDerWaalsContact C-N 3.25Å; L58-V102 HydrophobicContact CB-CG1 3.75Å; L58-V102 HydrophobicContact CD1-CG1 4.46Å; L58-R107 HydrophobicContact CD1-CB 3.89Å
59D82.7Confident84.9Confident71 Ų7154.9 Ų54.938%0.3829%0.286SS..  trans-82.2-617961.6-31.1000112.5Q57 L71Q57-D59 HydrophobicContact CB-CB 4.47Å; Q57-D59 PolarHBondContact O-N 3.09Å; D59-L71 WeakPolarHBondContact O-CB 3.44Å; D59-L71 PolarHBondContact O-N 2.88Å
60R85.4Confident84.6Confident103 Ų10356.3 Ų56.339%0.38929%0.294SS..EExtended strand (participates in β ladder)trans-125.7131.4-178.6-59.2-172.9-178.5161.88111.1T50 L58 F62 I69 D70T50-R60 WeakPolarHBondContact CG2-O 3.27Å; L58-R60 VanDerWaalsContact C-N 3.25Å; R60-F62 HydrophobicContact CB-CD2 4.33Å; R60-F62 HydrophobicContact CB-CE2 3.88Å; R60-I69 CarbonylContact C-O 3.59Å; R60-I69 WeakPolarHBondContact CA-O 3.25Å; R60-D70 VanDerWaalsContact CG-OD1 3.3Å; R60-D70 WeakPolarHBondContact CG-OD1 3.43Å; R60-D70 IonicContact NE-OD1 3.1Å; R60-D70 PolarHBondContact NE-OD1 3.42Å
61L86Confident84Confident1 Ų157.9 Ų57.91%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-86.3123.3166.8173.663.7000108.9A46 L63 H68 I69 L71 F98 V102A46-L61 HydrophobicContact CB-CD1 4.49Å; L61-L63 HydrophobicContact CD1-CD2 4.46Å; L61-L63 HydrophobicContact CD2-CD2 3.84Å; L61-L63 HydrophobicContact CG-CD2 3.9Å; L61-H68 CarbonylContact O-C 3.57Å; L61-H68 WeakPolarHBondContact O-CA 3.28Å; L61-I69 HydrophobicContact CD2-CD1 4.38Å; L61-I69 PolarHBondContact N-O 3.24Å; L61-I69 PolarHBondContact O-N 3.49Å; L61-L71 HydrophobicContact CB-CD2 3.91Å; L61-L71 HydrophobicContact CB-CG 4.16Å; L61-F98 HydrophobicContact CD1-CD1 4.1Å; L61-F98 HydrophobicContact CD1-CE1 4.25Å; L61-F98 HydrophobicContact CD2-CB 4.5Å; L61-F98 HydrophobicContact CD2-CD1 3.68Å; L61-F98 HydrophobicContact CD2-CD2 4.13Å; L61-F98 HydrophobicContact CD2-CE1 3.79Å; L61-F98 HydrophobicContact CD2-CE2 4.16Å; L61-F98 HydrophobicContact CD2-CG 3.88Å; L61-F98 HydrophobicContact CD2-CZ 4.02Å; L61-V102 HydrophobicContact CD1-CG2 3.84Å
62F87.7Confident83.6Confident25 Ų2560.2 Ų60.211%0.1132%0.318CS..EExtended strand (participates in β ladder)trans-99.8126169.3-76.7-97.4000109.7A46 L49 T50 K53 R60 H68A46-F62 WeakPolarHBondContact CA-O 3.41Å; L49-F62 HydrophobicContact CB-CB 3.91Å; T50-F62 PolarHBondContact OG1-N 2.87Å; T50-F62 PolarHBondContact OG1-O 3.32Å; K53-F62 VanDerWaalsContact C-CE2 3.49Å; K53-F62 HydrophobicContact CB-CD1 4.07Å; K53-F62 HydrophobicContact CB-CD2 3.96Å; K53-F62 HydrophobicContact CB-CE1 3.89Å; K53-F62 HydrophobicContact CB-CE2 3.78Å; K53-F62 HydrophobicContact CB-CG 4.1Å; K53-F62 HydrophobicContact CB-CZ 3.73Å; K53-F62 HydrophobicContact CD-CD1 4.14Å; K53-F62 HydrophobicContact CD-CE1 4.17Å; K53-F62 WeakPolarHBondContact O-CE2 3.19Å; R60-F62 HydrophobicContact CB-CD2 4.33Å; R60-F62 HydrophobicContact CB-CE2 3.88Å; F62-H68 HydrophobicContact CD1-CB 3.9Å; F62-H68 HydrophobicContact CD2-CB 4.43Å; F62-H68 HydrophobicContact CE1-CB 3.8Å; F62-H68 HydrophobicContact CE2-CB 4.31Å; F62-H68 HydrophobicContact CG-CB 4.23Å; F62-H68 HydrophobicContact CZ-CB 4.02Å
63L85.8Confident83.3Confident0 Ų059.5 Ų59.50%031%0.308CS..PPolyproline II helixtrans-87.4158.8174.9-56.3-174.3000110.5Q13 F42 L49 L61 N65 M66 V67 I69 F79Q13-L63 HydrophobicContact CB-CD1 4.19Å; Q13-L63 HydrophobicContact CG-CD1 3.78Å; F42-L63 HydrophobicContact CZ-CD2 4.08Å; L49-L63 WeakPolarHBondContact CD1-O 3.32Å; L61-L63 HydrophobicContact CD1-CD2 4.46Å; L61-L63 HydrophobicContact CD2-CD2 3.84Å; L61-L63 HydrophobicContact CG-CD2 3.9Å; L63-N65 WeakPolarHBondContact CB-OD1 3.38Å; L63-N65 PolarHBondContact O-N 3.24Å; L63-N65 VanDerWaalsContact O-N 3.09Å; L63-M66 WeakPolarHBondContact O-CA 3.46Å; L63-M66 PolarHBondContact O-N 2.95Å; L63-V67 HydrophobicContact CD1-CB 4.35Å; L63-V67 HydrophobicContact CD1-CG1 4.36Å; L63-V67 PolarHBondContact N-O 3.29Å; L63-I69 HydrophobicContact CD1-CD1 4.03Å; L63-I69 HydrophobicContact CG-CD1 4.36Å; L63-F79 HydrophobicContact CD1-CZ 4.19Å
64P84Confident83.1Confident19 Ų1960.4 Ų60.412%0.12331%0.314CS..THydrogen-bonded Turntrans-53.8-29.9-180-31.739.8000115.4H17 F42 E45 M66H17-P64 VanDerWaalsContact CE1-CB 3.41Å; H17-P64 WeakPolarHBondContact CE1-CB 3.36Å; H17-P64 WeakPolarHBondContact ND1-CB 3.49Å; F42-P64 HydrophobicContact CD2-CG 3.65Å; F42-P64 VanDerWaalsContact CE2-CD 3.49Å; F42-P64 HydrophobicContact CE2-CG 3.78Å; F42-P64 HydrophobicContact CG-CG 4.25Å; F42-P64 HydrophobicContact CZ-CG 4.46Å; E45-P64 HydrophobicContact CB-CB 4.42Å; E45-P64 HydrophobicContact CB-CG 3.98Å; P64-M66 PolarHBondContact O-N 3.21Å
65N79.7Confident83.3Confident72 Ų7262.1 Ų62.139%0.38532%0.324SS..THydrogen-bonded Turntrans-84.712.7176.574.6-23.8000114.4Q13 L63 V67Q13-N65 VanDerWaalsContact OE1-CG 3.22Å; Q13-N65 PolarHBondContact OE1-ND2 3.37Å; L63-N65 WeakPolarHBondContact CB-OD1 3.38Å; L63-N65 PolarHBondContact O-N 3.24Å; L63-N65 VanDerWaalsContact O-N 3.09Å; N65-V67 WeakPolarHBondContact ND2-CG2 3.42Å; N65-V67 PolarHBondContact O-N 3.48Å; N65-V67 WeakPolarHBondContact OD1-CB 3.4Å; N65-V67 WeakPolarHBondContact OD1-CG2 3.48Å; N65-V67 PolarHBondContact OD1-N 2.89Å
66M81.6Confident83.4Confident104 Ų10460.2 Ų60.251%0.51230%0.304SS..SBendtrans71.13.1-178.5-53.3-70.7-151.700116.3L49 K53 L63 P64L49-M66 HydrophobicContact CD2-SD 4.26Å; K53-M66 PolarHBondContact NZ-SD 3.5Å; L63-M66 WeakPolarHBondContact O-CA 3.46Å; L63-M66 PolarHBondContact O-N 2.95Å; P64-M66 PolarHBondContact O-N 3.21Å
67V83.8Confident83.5Confident55 Ų5553.5 Ų53.533%0.33327%0.27SS..  trans-63.9141.1166.5173.50000108.6L63 N65L63-V67 HydrophobicContact CD1-CB 4.35Å; L63-V67 HydrophobicContact CD1-CG1 4.36Å; L63-V67 PolarHBondContact N-O 3.29Å; N65-V67 WeakPolarHBondContact ND2-CG2 3.42Å; N65-V67 PolarHBondContact O-N 3.48Å; N65-V67 WeakPolarHBondContact OD1-CB 3.4Å; N65-V67 WeakPolarHBondContact OD1-CG2 3.48Å; N65-V67 PolarHBondContact OD1-N 2.89Å
68H85.2Confident83.4Confident97 Ų9752.1 Ų52.145%0.44926%0.263SS..EExtended strand (participates in β ladder)trans-123.1148.9174.467.7-81.4000111.4L61 F62L61-H68 CarbonylContact O-C 3.57Å; L61-H68 WeakPolarHBondContact O-CA 3.28Å; F62-H68 HydrophobicContact CD1-CB 3.9Å; F62-H68 HydrophobicContact CD2-CB 4.43Å; F62-H68 HydrophobicContact CE1-CB 3.8Å; F62-H68 HydrophobicContact CE2-CB 4.31Å; F62-H68 HydrophobicContact CG-CB 4.23Å; F62-H68 HydrophobicContact CZ-CB 4.02Å
69I84.5Confident83.3Confident8 Ų853.7 Ų53.74%0.04127%0.27CS..EExtended strand (participates in β ladder)trans-132.5126.2-179.2-54158000107.1R60 L61 L63 L71 F76 F79R60-I69 CarbonylContact C-O 3.59Å; R60-I69 WeakPolarHBondContact CA-O 3.25Å; L61-I69 HydrophobicContact CD2-CD1 4.38Å; L61-I69 PolarHBondContact N-O 3.24Å; L61-I69 PolarHBondContact O-N 3.49Å; L63-I69 HydrophobicContact CD1-CD1 4.03Å; L63-I69 HydrophobicContact CG-CD1 4.36Å; I69-L71 PolarHBondContact O-N 2.69Å; I69-F76 HydrophobicContact CG2-CD2 4.12Å; I69-F79 HydrophobicContact CD1-CD1 3.44Å; I69-F79 VanDerWaalsContact CD1-CD1 3.44Å; I69-F79 HydrophobicContact CD1-CD2 3.84Å; I69-F79 HydrophobicContact CD1-CE1 3.42Å; I69-F79 VanDerWaalsContact CD1-CE1 3.42Å; I69-F79 HydrophobicContact CD1-CE2 3.84Å; I69-F79 HydrophobicContact CD1-CG 3.64Å; I69-F79 HydrophobicContact CD1-CZ 3.64Å; I69-F79 HydrophobicContact CG1-CB 4.43Å; I69-F79 HydrophobicContact CG1-CD1 4.21Å; I69-F79 HydrophobicContact CG1-CD2 3.92Å; I69-F79 HydrophobicContact CG1-CE2 4.25Å; I69-F79 HydrophobicContact CG1-CG 3.9Å; I69-F79 HydrophobicContact CG2-CB 4.18Å; I69-F79 HydrophobicContact CG2-CG 4.43Å
70D85.1Confident83Confident62 Ų6250.6 Ų50.633%0.33225%0.253SS..EExtended strand (participates in β ladder)trans-66.3130.1171.7-67-29.6000109.2R60 S72 P75R60-D70 VanDerWaalsContact CG-OD1 3.3Å; R60-D70 WeakPolarHBondContact CG-OD1 3.43Å; R60-D70 IonicContact NE-OD1 3.1Å; R60-D70 PolarHBondContact NE-OD1 3.42Å; D70-S72 PolarHBondContact O-N 2.87Å; D70-P75 HydrophobicContact CB-CB 4.08Å; D70-P75 HydrophobicContact CB-CG 4.17Å
71L78.6Confident82.8Confident34 Ų3452.8 Ų52.818%0.17827%0.268CS..SBendtrans-77.941.5-179.5-70.9173.8000112.5D59 L61 I69 L95 V102D59-L71 WeakPolarHBondContact O-CB 3.44Å; D59-L71 PolarHBondContact O-N 2.88Å; L61-L71 HydrophobicContact CB-CD2 3.91Å; L61-L71 HydrophobicContact CB-CG 4.16Å; I69-L71 PolarHBondContact O-N 2.69Å; L71-L95 HydrophobicContact CD2-CD1 4.15Å; L71-V102 HydrophobicContact CD1-CB 3.91Å; L71-V102 HydrophobicContact CD1-CG1 3.76Å; L71-V102 HydrophobicContact CD1-CG2 3.99Å
72S83.9Confident81.9Confident59 Ų5953.8 Ų53.841%0.41328%0.275SS..SBendtrans-107.4153.1166.755.30000109.6D70 Q74 P75 F76D70-S72 PolarHBondContact O-N 2.87Å; S72-Q74 VanDerWaalsContact C-N 3.31Å; S72-Q74 PolarHBondContact O-N 3.35Å; S72-P75 WeakPolarHBondContact O-CD 3.37Å; S72-P75 WeakPolarHBondContact OG-CD 3.49Å; S72-P75 WeakPolarHBondContact OG-CG 3.23Å; S72-F76 WeakPolarHBondContact O-CB 3.38Å; S72-F76 PolarHBondContact O-N 2.94Å; S72-F76 VanDerWaalsContact O-N 3.17Å
73E80.9Confident80.9Confident85 Ų8559.6 Ų59.640%0.39730%0.302SS..Hα-helixtrans-56.5-45.2-171.5-174.1177.1-168.300112.1F76 L77 R92 L95E73-F76 PolarHBondContact O-N 2.92Å; E73-L77 HydrophobicContact CG-CD1 3.85Å; E73-L77 HydrophobicContact CG-CG 4.32Å; E73-L77 WeakPolarHBondContact O-CB 3.48Å; E73-L77 VanDerWaalsContact O-CG 3.23Å; E73-L77 WeakPolarHBondContact O-CG 3.24Å; E73-L77 PolarHBondContact O-N 3.27Å; E73-R92 IonicContact OE1-CZ 3.43Å; E73-R92 IonicContact OE1-NE 3.87Å; E73-R92 PolarHBondContact OE1-NE 3.15Å; E73-R92 IonicContact OE1-NH2 2.62Å; E73-R92 PolarHBondContact OE1-NH2 3.2Å; E73-L95 HydrophobicContact CB-CD2 4.2Å; E73-L95 HydrophobicContact CG-CD2 4.46Å
74Q82.9Confident79.5Confident115 Ų11568.3 Ų68.354%0.53734%0.343SS..Hα-helixtrans-67.9-53.9-173.9-176.76820.300113.2S72 F76 L77 E78S72-Q74 VanDerWaalsContact C-N 3.31Å; S72-Q74 PolarHBondContact O-N 3.35Å; Q74-F76 VanDerWaalsContact C-N 3.26Å; Q74-F76 PolarHBondContact O-N 2.83Å; Q74-L77 PolarHBondContact O-N 3.49Å; Q74-E78 WeakPolarHBondContact CG-OE1 3.32Å; Q74-E78 PolarHBondContact NE2-OE1 2.98Å; Q74-E78 WeakPolarHBondContact O-CG 3.33Å; Q74-E78 PolarHBondContact O-N 3.41Å
75P83.1Confident78.3Confident39 Ų3976.2 Ų76.225%0.25338%0.378SS..Hα-helixtrans-59.5-34.8175-26.337.2000113.6D70 S72 F79D70-P75 HydrophobicContact CB-CB 4.08Å; D70-P75 HydrophobicContact CB-CG 4.17Å; S72-P75 WeakPolarHBondContact O-CD 3.37Å; S72-P75 WeakPolarHBondContact OG-CD 3.49Å; S72-P75 WeakPolarHBondContact OG-CG 3.23Å; P75-F79 WeakPolarHBondContact O-CB 3.46Å; P75-F79 PolarHBondContact O-N 3.21Å
76F83.6Confident77.6Confident0 Ų075.8 Ų75.80%038%0.378CS..Hα-helixtrans-67.9-44.7176.8-174.3-91.3000112I69 S72 E73 Q74 E78 F79 M80 I94 L95 F98I69-F76 HydrophobicContact CG2-CD2 4.12Å; S72-F76 WeakPolarHBondContact O-CB 3.38Å; S72-F76 PolarHBondContact O-N 2.94Å; S72-F76 VanDerWaalsContact O-N 3.17Å; E73-F76 PolarHBondContact O-N 2.92Å; Q74-F76 VanDerWaalsContact C-N 3.26Å; Q74-F76 PolarHBondContact O-N 2.83Å; F76-E78 VanDerWaalsContact C-N 3.3Å; F76-E78 PolarHBondContact O-N 3.44Å; F76-F79 PolarHBondContact O-N 2.94Å; F76-M80 HydrophobicContact CD1-CG 3.99Å; F76-M80 HydrophobicContact CE1-CG 3.59Å; F76-M80 HydrophobicContact CE1-SD 4.3Å; F76-M80 HydrophobicContact CZ-CG 3.96Å; F76-M80 HydrophobicContact CZ-SD 4.12Å; F76-M80 VanDerWaalsContact O-CG 3.25Å; F76-M80 WeakPolarHBondContact O-CG 2.94Å; F76-M80 PolarHBondContact O-N 2.91Å; F76-I94 HydrophobicContact CE1-CB 4.43Å; F76-I94 HydrophobicContact CE1-CG2 4.36Å; F76-I94 HydrophobicContact CZ-CB 4.28Å; F76-I94 HydrophobicContact CZ-CG2 3.73Å; F76-L95 HydrophobicContact CB-CD1 3.94Å; F76-L95 HydrophobicContact CB-CD2 4.29Å; F76-L95 HydrophobicContact CD1-CB 3.68Å; F76-L95 HydrophobicContact CD1-CD1 4.16Å; F76-L95 HydrophobicContact CD1-CD2 4.35Å; F76-L95 HydrophobicContact CD1-CG 4.27Å; F76-L95 HydrophobicContact CD2-CD1 3.79Å; F76-L95 HydrophobicContact CE1-CB 3.73Å; F76-L95 HydrophobicContact CE2-CD1 4.36Å; F76-L95 HydrophobicContact CG-CB 4.13Å; F76-L95 HydrophobicContact CG-CD1 3.68Å; F76-L95 HydrophobicContact CG-CD2 4.39Å; F76-L95 HydrophobicContact CG-CG 4.27Å; F76-L95 HydrophobicContact CZ-CB 4.22Å; F76-F98 HydrophobicContact CE2-CD2 4.05Å; F76-F98 HydrophobicContact CZ-CD2 4.25Å
77L81.9Confident77.2Confident17 Ų1775.6 Ų75.69%0.08938%0.379CS..Hα-helixtrans-64.5-36.4176.3-71.3177.5000112.1E73 Q74 M80 E81 C82 L88 Y91E73-L77 HydrophobicContact CG-CD1 3.85Å; E73-L77 HydrophobicContact CG-CG 4.32Å; E73-L77 WeakPolarHBondContact O-CB 3.48Å; E73-L77 VanDerWaalsContact O-CG 3.23Å; E73-L77 WeakPolarHBondContact O-CG 3.24Å; E73-L77 PolarHBondContact O-N 3.27Å; Q74-L77 PolarHBondContact O-N 3.49Å; L77-M80 PolarHBondContact O-N 2.89Å; L77-E81 PolarHBondContact O-N 2.9Å; L77-C82 HydrophobicContact CB-CB 4.38Å; L77-C82 HydrophobicContact CD2-CB 4.25Å; L77-C82 WeakPolarHBondContact O-CB 3.21Å; L77-C82 PolarHBondContact O-N 3.43Å; L77-C82 VanDerWaalsContact O-N 3.08Å; L77-L88 HydrophobicContact CD1-CD1 4.27Å; L77-L88 HydrophobicContact CD1-CD2 4.4Å; L77-L88 HydrophobicContact CD2-CD2 4.45Å; L77-Y91 HydrophobicContact CD2-CG 4.2Å
78E80.8Confident77Confident121 Ų12175.3 Ų75.357%0.56538%0.375SS*.Hα-helixtrans-63.5-45.8173.1-74.4172-168.600111.5Q74 F76 M80 E81Q74-E78 WeakPolarHBondContact CG-OE1 3.32Å; Q74-E78 PolarHBondContact NE2-OE1 2.98Å; Q74-E78 WeakPolarHBondContact O-CG 3.33Å; Q74-E78 PolarHBondContact O-N 3.41Å; F76-E78 VanDerWaalsContact C-N 3.3Å; F76-E78 PolarHBondContact O-N 3.44Å; E78-M80 VanDerWaalsContact C-N 3.26Å; E78-M80 PolarHBondContact O-N 3.42Å; E78-E81 PolarHBondContact O-N 3.4Å
79F81.6Confident76.8Confident41 Ų4174.8 Ų74.818%0.1838%0.376CS..Hα-helixtrans-59.8-37.5173.9169-99.3000112.4P9 L10 Q13 L63 I69 P75 F76 E81P9-F79 HydrophobicContact CB-CE1 4.39Å; P9-F79 HydrophobicContact CB-CE2 4.22Å; P9-F79 HydrophobicContact CB-CZ 4.04Å; P9-F79 WeakPolarHBondContact CB-O 3.11Å; P9-F79 VanDerWaalsContact CG-O 3.27Å; P9-F79 WeakPolarHBondContact CG-O 3.03Å; L10-F79 HydrophobicContact CB-CE1 3.99Å; L10-F79 HydrophobicContact CD1-CE1 4.19Å; Q13-F79 HydrophobicContact CG-CZ 4.19Å; L63-F79 HydrophobicContact CD1-CZ 4.19Å; I69-F79 HydrophobicContact CD1-CD1 3.44Å; I69-F79 VanDerWaalsContact CD1-CD1 3.44Å; I69-F79 HydrophobicContact CD1-CD2 3.84Å; I69-F79 HydrophobicContact CD1-CE1 3.42Å; I69-F79 VanDerWaalsContact CD1-CE1 3.42Å; I69-F79 HydrophobicContact CD1-CE2 3.84Å; I69-F79 HydrophobicContact CD1-CG 3.64Å; I69-F79 HydrophobicContact CD1-CZ 3.64Å; I69-F79 HydrophobicContact CG1-CB 4.43Å; I69-F79 HydrophobicContact CG1-CD1 4.21Å; I69-F79 HydrophobicContact CG1-CD2 3.92Å; I69-F79 HydrophobicContact CG1-CE2 4.25Å; I69-F79 HydrophobicContact CG1-CG 3.9Å; I69-F79 HydrophobicContact CG2-CB 4.18Å; I69-F79 HydrophobicContact CG2-CG 4.43Å; P75-F79 WeakPolarHBondContact O-CB 3.46Å; P75-F79 PolarHBondContact O-N 3.21Å; F76-F79 PolarHBondContact O-N 2.94Å; F79-E81 PolarHBondContact O-N 2.88Å
80M77.7Confident76.5Confident5 Ų575.8 Ų75.83%0.02538%0.383CS..THydrogen-bonded Turntrans-75.71.2177.1-66.5-64.1-67.700113.3S8 L10 F76 L77 E78 C82 Y91 I94S8-M80 WeakPolarHBondContact OG-CE 3.21Å; L10-M80 HydrophobicContact CB-CE 4.17Å; L10-M80 HydrophobicContact CB-SD 3.64Å; L10-M80 HydrophobicContact CD2-CE 4.39Å; L10-M80 HydrophobicContact CD2-SD 4.22Å; F76-M80 HydrophobicContact CD1-CG 3.99Å; F76-M80 HydrophobicContact CE1-CG 3.59Å; F76-M80 HydrophobicContact CE1-SD 4.3Å; F76-M80 HydrophobicContact CZ-CG 3.96Å; F76-M80 HydrophobicContact CZ-SD 4.12Å; F76-M80 VanDerWaalsContact O-CG 3.25Å; F76-M80 WeakPolarHBondContact O-CG 2.94Å; F76-M80 PolarHBondContact O-N 2.91Å; L77-M80 PolarHBondContact O-N 2.89Å; E78-M80 VanDerWaalsContact C-N 3.26Å; E78-M80 PolarHBondContact O-N 3.42Å; M80-C82 PolarHBondContact O-N 2.85Å; M80-Y91 HydrophobicContact CB-CD1 3.8Å; M80-Y91 HydrophobicContact CB-CE1 4.09Å; M80-Y91 HydrophobicContact CE-CD1 3.83Å; M80-Y91 HydrophobicContact CE-CE1 4.04Å; M80-Y91 HydrophobicContact CG-CD1 4.16Å; M80-I94 HydrophobicContact CE-CD1 4.11Å
81E79.7Confident76.2Confident149 Ų14974.4 Ų74.470%0.69637%0.373SS*.THydrogen-bonded Turntrans51.138.7-176-65-179.6177.500112.3P9 L77 E78 F79 E83P9-E81 HydrophobicContact CG-CB 4.41Å; P9-E81 HydrophobicContact CG-CG 3.93Å; L77-E81 PolarHBondContact O-N 2.9Å; E78-E81 PolarHBondContact O-N 3.4Å; F79-E81 PolarHBondContact O-N 2.88Å; E81-E83 PolarHBondContact O-N 3.45Å
82C68.3Low76.4Confident23 Ų2377.4 Ų77.416%0.15538%0.382CS..  trans-70.6117.9-175.1-165.40000111.2L77 M80 L88 Y91L77-C82 HydrophobicContact CB-CB 4.38Å; L77-C82 HydrophobicContact CD2-CB 4.25Å; L77-C82 WeakPolarHBondContact O-CB 3.21Å; L77-C82 PolarHBondContact O-N 3.43Å; L77-C82 VanDerWaalsContact O-N 3.08Å; M80-C82 PolarHBondContact O-N 2.85Å; C82-L88 WeakPolarHBondContact SG-CD2 3.38Å; C82-Y91 VanDerWaalsContact SG-CD2 3.52Å; C82-Y91 WeakPolarHBondContact SG-CE2 3.23Å
83E65.7Low76.5Confident147 Ų14778.6 Ų78.669%0.68738%0.384SS*.  trans-65.3134.9174.6-68.6-177.5178.200111.3E81 H85 V86E81-E83 PolarHBondContact O-N 3.45Å; E83-H85 PolarHBondContact O-N 3.48Å; E83-V86 HydrophobicContact CB-CG2 3.83Å; E83-V86 PolarHBondContact O-N 2.83Å; E83-V86 VanDerWaalsContact O-N 3.08Å
84Q58Low76.6Confident182 Ų18274.6 Ų74.685%0.8537%0.365SS*.THydrogen-bonded Turntrans-60.9-6.2-173.2-66.7-177.6-11.800115.8
85H57.1Low76.7Confident185 Ų18569.8 Ų69.886%0.85634%0.343SS*.THydrogen-bonded Turntrans-11210.4-179.3-61.1-46.5000113.9E83E83-H85 PolarHBondContact O-N 3.48Å
86V65.7Low76.9Confident63 Ų6372.6 Ų72.638%0.38236%0.356SS..SBendtrans-98.6151.5-176.5-178.40000111.3E83 L88 Y91E83-V86 HydrophobicContact CB-CG2 3.83Å; E83-V86 PolarHBondContact O-N 2.83Å; E83-V86 VanDerWaalsContact O-N 3.08Å; V86-L88 PolarHBondContact O-N 3.34Å; V86-L88 VanDerWaalsContact O-N 3.09Å; V86-Y91 HydrophobicContact CG1-CE2 4.29Å
87N73.6Confident77Confident100 Ų10073.4 Ų73.454%0.53536%0.362SS..  trans-58.9112.3169.3177.810.1000109.8N89 P90N87-N89 VanDerWaalsContact C-N 3.34Å; N87-N89 PolarHBondContact O-N 2.82Å; N87-N89 WeakPolarHBondContact OD1-CB 3.43Å; N87-N89 PolarHBondContact OD1-N 2.99Å; N87-N89 VanDerWaalsContact OD1-N 3.17Å; N87-N89 PolarHBondContact OD1-ND2 3.47Å; N87-P90 VanDerWaalsContact O-CD 3.24Å; N87-P90 WeakPolarHBondContact O-CD 3.47Å
88L80.1Confident77Confident50 Ų5072.7 Ų72.726%0.26236%0.358SS..  trans-78.1-14.7-175.6-58.9-179.5000114.1L77 C82 V86 P90 Y91 R92L77-L88 HydrophobicContact CD1-CD1 4.27Å; L77-L88 HydrophobicContact CD1-CD2 4.4Å; L77-L88 HydrophobicContact CD2-CD2 4.45Å; C82-L88 WeakPolarHBondContact SG-CD2 3.38Å; V86-L88 PolarHBondContact O-N 3.34Å; V86-L88 VanDerWaalsContact O-N 3.09Å; L88-P90 VanDerWaalsContact C-CD 3.43Å; L88-Y91 PolarHBondContact O-N 3.11Å; L88-Y91 VanDerWaalsContact O-N 3.13Å; L88-R92 PolarHBondContact O-N 3.15Å
89N80Confident77.3Confident86 Ų8668 Ų6846%0.4634%0.339SS..Hα-helixtrans-54.2-41.4-173.6-70.9-18.4000114.3N87 R92 N93N87-N89 VanDerWaalsContact C-N 3.34Å; N87-N89 PolarHBondContact O-N 2.82Å; N87-N89 WeakPolarHBondContact OD1-CB 3.43Å; N87-N89 PolarHBondContact OD1-N 2.99Å; N87-N89 VanDerWaalsContact OD1-N 3.17Å; N87-N89 PolarHBondContact OD1-ND2 3.47Å; N89-R92 PolarHBondContact O-N 2.82Å; N89-N93 VanDerWaalsContact O-CG 3.25Å; N89-N93 PolarHBondContact O-N 2.92Å; N89-N93 PolarHBondContact O-ND2 3.34Å; N89-N93 PolarHBondContact O-OD1 3.38Å
90P77.3Confident77.4Confident29 Ų2969.4 Ų69.419%0.18834%0.344CS..Hα-helixtrans-65.3-40.6178.3-19.833.6000112.9N87 L88 R92 N93 I94 I183N87-P90 VanDerWaalsContact O-CD 3.24Å; N87-P90 WeakPolarHBondContact O-CD 3.47Å; L88-P90 VanDerWaalsContact C-CD 3.43Å; P90-R92 PolarHBondContact O-N 2.89Å; P90-N93 WeakPolarHBondContact O-CB 3.18Å; P90-N93 PolarHBondContact O-N 3.22Å; P90-I94 PolarHBondContact O-N 3.42Å; P90-I94 VanDerWaalsContact O-N 3.12Å; P90-I183 HydrophobicContact CB-CD1 3.65Å; P90-I183 HydrophobicContact CB-CG1 3.49Å; P90-I183 VanDerWaalsContact CB-CG1 3.49Å
91Y80.4Confident77.8Confident33 Ų3369.2 Ų69.213%0.12934%0.344CS..Hα-helixtrans-66.6-37.5177.1-59.2-84.6000112.2L77 M80 C82 V86 L88 N93 I94 L95 I183L77-Y91 HydrophobicContact CD2-CG 4.2Å; M80-Y91 HydrophobicContact CB-CD1 3.8Å; M80-Y91 HydrophobicContact CB-CE1 4.09Å; M80-Y91 HydrophobicContact CE-CD1 3.83Å; M80-Y91 HydrophobicContact CE-CE1 4.04Å; M80-Y91 HydrophobicContact CG-CD1 4.16Å; C82-Y91 VanDerWaalsContact SG-CD2 3.52Å; C82-Y91 WeakPolarHBondContact SG-CE2 3.23Å; V86-Y91 HydrophobicContact CG1-CE2 4.29Å; L88-Y91 PolarHBondContact O-N 3.11Å; L88-Y91 VanDerWaalsContact O-N 3.13Å; Y91-N93 VanDerWaalsContact C-N 3.32Å; Y91-N93 PolarHBondContact O-N 3.22Å; Y91-I94 PolarHBondContact O-N 3.24Å; Y91-L95 PolarHBondContact O-N 2.84Å; Y91-I183 HydrophobicContact CD1-CD1 3.99Å; Y91-I183 HydrophobicContact CE1-CD1 4.13Å; Y91-I183 HydrophobicContact CG-CD1 4.26Å
92R82.6Confident78.1Confident97 Ų9762.1 Ų62.137%0.36631%0.311SS..Hα-helixtrans-61.8-39.5171.8-71.7176.2173.4161.1-3.4112.1E73 L88 N89 P90 I94 L95 N96E73-R92 IonicContact OE1-CZ 3.43Å; E73-R92 IonicContact OE1-NE 3.87Å; E73-R92 PolarHBondContact OE1-NE 3.15Å; E73-R92 IonicContact OE1-NH2 2.62Å; E73-R92 PolarHBondContact OE1-NH2 3.2Å; L88-R92 PolarHBondContact O-N 3.15Å; N89-R92 PolarHBondContact O-N 2.82Å; P90-R92 PolarHBondContact O-N 2.89Å; R92-I94 VanDerWaalsContact C-N 3.32Å; R92-I94 PolarHBondContact O-N 3.17Å; R92-L95 PolarHBondContact O-N 2.98Å; R92-N96 WeakPolarHBondContact O-CB 3.42Å; R92-N96 PolarHBondContact O-N 3.48Å; R92-N96 PolarHBondContact O-ND2 3.24Å
93N84.8Confident78.8Confident83 Ų8366.5 Ų66.544%0.44433%0.329SS..Hα-helixtrans-62.9-41176.1-68.2-17.8000111.3N89 P90 Y91 N96 S97 A179N89-N93 VanDerWaalsContact O-CG 3.25Å; N89-N93 PolarHBondContact O-N 2.92Å; N89-N93 PolarHBondContact O-ND2 3.34Å; N89-N93 PolarHBondContact O-OD1 3.38Å; P90-N93 WeakPolarHBondContact O-CB 3.18Å; P90-N93 PolarHBondContact O-N 3.22Å; Y91-N93 VanDerWaalsContact C-N 3.32Å; Y91-N93 PolarHBondContact O-N 3.22Å; N93-N96 PolarHBondContact O-N 2.93Å; N93-S97 PolarHBondContact O-N 3.35Å; N93-S97 PolarHBondContact O-OG 3.44Å; N93-A179 HydrophobicContact CB-CB 4.44Å
94I83.3Confident79.8Confident2 Ų262.5 Ų62.51%0.0131%0.312CS..Hα-helixtrans-63.4-48.3174.3-61.3-176.8000111L10 F76 M80 P90 Y91 R92 N96 S97 F98 F176 A179 I180 I183L10-I94 HydrophobicContact CD2-CG2 3.64Å; F76-I94 HydrophobicContact CE1-CB 4.43Å; F76-I94 HydrophobicContact CE1-CG2 4.36Å; F76-I94 HydrophobicContact CZ-CB 4.28Å; F76-I94 HydrophobicContact CZ-CG2 3.73Å; M80-I94 HydrophobicContact CE-CD1 4.11Å; P90-I94 PolarHBondContact O-N 3.42Å; P90-I94 VanDerWaalsContact O-N 3.12Å; Y91-I94 PolarHBondContact O-N 3.24Å; R92-I94 VanDerWaalsContact C-N 3.32Å; R92-I94 PolarHBondContact O-N 3.17Å; I94-N96 VanDerWaalsContact C-N 3.29Å; I94-N96 PolarHBondContact O-N 2.84Å; I94-S97 PolarHBondContact O-N 2.95Å; I94-F98 HydrophobicContact CG2-CD2 3.92Å; I94-F98 HydrophobicContact CG2-CE2 4.13Å; I94-F98 PolarHBondContact O-N 3.24Å; I94-F176 HydrophobicContact CG2-CE2 3.97Å; I94-A179 HydrophobicContact CG1-CB 3.94Å; I94-I180 HydrophobicContact CD1-CG1 4.15Å; I94-I183 HydrophobicContact CD1-CD1 3.21Å; I94-I183 HydrophobicContact CD1-CG1 3.96Å; I94-I183 HydrophobicContact CG1-CD1 4.01Å
95L85.6Confident81.4Confident13 Ų1353.9 Ų53.97%0.06827%0.271CS..Hα-helixtrans-56.6-43.8176.717557.8000111.7L71 E73 F76 Y91 R92 F98 S99L71-L95 HydrophobicContact CD2-CD1 4.15Å; E73-L95 HydrophobicContact CB-CD2 4.2Å; E73-L95 HydrophobicContact CG-CD2 4.46Å; F76-L95 HydrophobicContact CB-CD1 3.94Å; F76-L95 HydrophobicContact CB-CD2 4.29Å; F76-L95 HydrophobicContact CD1-CB 3.68Å; F76-L95 HydrophobicContact CD1-CD1 4.16Å; F76-L95 HydrophobicContact CD1-CD2 4.35Å; F76-L95 HydrophobicContact CD1-CG 4.27Å; F76-L95 HydrophobicContact CD2-CD1 3.79Å; F76-L95 HydrophobicContact CE1-CB 3.73Å; F76-L95 HydrophobicContact CE2-CD1 4.36Å; F76-L95 HydrophobicContact CG-CB 4.13Å; F76-L95 HydrophobicContact CG-CD1 3.68Å; F76-L95 HydrophobicContact CG-CD2 4.39Å; F76-L95 HydrophobicContact CG-CG 4.27Å; F76-L95 HydrophobicContact CZ-CB 4.22Å; Y91-L95 PolarHBondContact O-N 2.84Å; R92-L95 PolarHBondContact O-N 2.98Å; L95-F98 PolarHBondContact O-N 2.92Å; L95-S99 VanDerWaalsContact O-CB 3.31Å; L95-S99 WeakPolarHBondContact O-CB 3.38Å; L95-S99 PolarHBondContact O-N 3.47Å; L95-S99 PolarHBondContact O-OG 2.61Å
96N87.1Confident83Confident98 Ų9845 Ų4552%0.52423%0.231SC..Hα-helixtrans-64.9-44.1178.5-70.9-22.2000111.6R92 N93 I94 F98 S99 F100R92-N96 WeakPolarHBondContact O-CB 3.42Å; R92-N96 PolarHBondContact O-N 3.48Å; R92-N96 PolarHBondContact O-ND2 3.24Å; N93-N96 PolarHBondContact O-N 2.93Å; I94-N96 VanDerWaalsContact C-N 3.29Å; I94-N96 PolarHBondContact O-N 2.84Å; N96-F98 VanDerWaalsContact C-N 3.33Å; N96-F98 PolarHBondContact O-N 3.24Å; N96-S99 PolarHBondContact O-N 2.63Å; N96-F100 WeakPolarHBondContact O-CB 3.49Å; N96-F100 PolarHBondContact O-N 3.27Å
97S85.3Confident84.2Confident17 Ų1747.7 Ų47.712%0.11923%0.234CC..Hα-helixtrans-61.9-39.8175.4-70.30000112N93 I94 F100 L101 A175N93-S97 PolarHBondContact O-N 3.35Å; N93-S97 PolarHBondContact O-OG 3.44Å; I94-S97 PolarHBondContact O-N 2.95Å; S97-F100 WeakPolarHBondContact O-CB 3.39Å; S97-L101 PolarHBondContact O-N 2.95Å; S97-A175 PolarHBondContact OG-O 3.5Å; S97-A175 VanDerWaalsContact OG-O 3.14Å
98F82.5Confident85Confident3 Ų343.9 Ų43.91%0.01322%0.215CC..Hα-helixtrans-67.8-44.6173.8-95.8-56.1000113.1L10 F42 L61 F76 I94 L95 N96 F100 L101 V102 F176L10-F98 HydrophobicContact CD1-CE2 3.5Å; L10-F98 VanDerWaalsContact CD1-CE2 3.5Å; L10-F98 HydrophobicContact CD1-CZ 3.68Å; L10-F98 HydrophobicContact CD2-CE2 3.58Å; L10-F98 HydrophobicContact CD2-CZ 4.32Å; L10-F98 HydrophobicContact CG-CE2 4.13Å; F42-F98 HydrophobicContact CE1-CZ 4.47Å; L61-F98 HydrophobicContact CD1-CD1 4.1Å; L61-F98 HydrophobicContact CD1-CE1 4.25Å; L61-F98 HydrophobicContact CD2-CB 4.5Å; L61-F98 HydrophobicContact CD2-CD1 3.68Å; L61-F98 HydrophobicContact CD2-CD2 4.13Å; L61-F98 HydrophobicContact CD2-CE1 3.79Å; L61-F98 HydrophobicContact CD2-CE2 4.16Å; L61-F98 HydrophobicContact CD2-CG 3.88Å; L61-F98 HydrophobicContact CD2-CZ 4.02Å; F76-F98 HydrophobicContact CE2-CD2 4.05Å; F76-F98 HydrophobicContact CZ-CD2 4.25Å; I94-F98 HydrophobicContact CG2-CD2 3.92Å; I94-F98 HydrophobicContact CG2-CE2 4.13Å; I94-F98 PolarHBondContact O-N 3.24Å; L95-F98 PolarHBondContact O-N 2.92Å; N96-F98 VanDerWaalsContact C-N 3.33Å; N96-F98 PolarHBondContact O-N 3.24Å; F98-F100 PolarHBondContact O-N 3.34Å; F98-L101 HydrophobicContact CD1-CD1 4.43Å; F98-L101 WeakPolarHBondContact O-CB 3.32Å; F98-L101 PolarHBondContact O-N 3.2Å; F98-L101 VanDerWaalsContact O-N 3.11Å; F98-V102 WeakPolarHBondContact O-CG2 3.25Å; F98-V102 PolarHBondContact O-N 3.1Å; F98-F176 HydrophobicContact CD1-CE2 4.34Å; F98-F176 HydrophobicContact CD2-CD2 4.21Å; F98-F176 AromaticContact CD2-CE2 3.57Å; F98-F176 HydrophobicContact CD2-CE2 3.57Å; F98-F176 HydrophobicContact CD2-CZ 4.28Å; F98-F176 HydrophobicContact CE1-CD2 4.42Å; F98-F176 HydrophobicContact CE1-CE1 4.39Å; F98-F176 AromaticContact CE1-CE2 3.89Å; F98-F176 HydrophobicContact CE1-CE2 3.89Å; F98-F176 AromaticContact CE1-CZ 3.84Å; F98-F176 HydrophobicContact CE1-CZ 3.84Å; F98-F176 HydrophobicContact CE2-CD2 4.07Å; F98-F176 AromaticContact CE2-CE2 3.06Å; F98-F176 HydrophobicContact CE2-CE2 3.06Å; F98-F176 AromaticContact CE2-CZ 3.37Å; F98-F176 HydrophobicContact CE2-CZ 3.37Å; F98-F176 HydrophobicContact CG-CD2 4.48Å; F98-F176 HydrophobicContact CG-CE2 4.18Å; F98-F176 HydrophobicContact CZ-CD2 4.16Å; F98-F176 AromaticContact CZ-CE1 3.95Å; F98-F176 HydrophobicContact CZ-CE1 3.95Å; F98-F176 AromaticContact CZ-CE2 3.23Å; F98-F176 HydrophobicContact CZ-CE2 3.23Å; F98-F176 AromaticContact CZ-CZ 3.06Å; F98-F176 HydrophobicContact CZ-CZ 3.06Å
99S86.1Confident85.6Confident23 Ų2342.1 Ų42.116%0.16121%0.205CC..Hα-helixtrans-60.1-39.2177.8-60.80000110.4L95 N96 V102 Q103L95-S99 VanDerWaalsContact O-CB 3.31Å; L95-S99 WeakPolarHBondContact O-CB 3.38Å; L95-S99 PolarHBondContact O-N 3.47Å; L95-S99 PolarHBondContact O-OG 2.61Å; N96-S99 PolarHBondContact O-N 2.63Å; S99-V102 PolarHBondContact O-N 2.93Å; S99-Q103 VanDerWaalsContact O-CB 3.23Å; S99-Q103 WeakPolarHBondContact O-CB 3.28Å; S99-Q103 WeakPolarHBondContact O-CG 3.39Å; S99-Q103 PolarHBondContact O-N 3.39Å
100F85Confident86.1Confident69 Ų6941.1 Ų41.130%0.30320%0.198SC..Hα-helixtrans-61-49.2172.2176.7-90.1000112N96 S97 F98 V102 Q103 L104N96-F100 WeakPolarHBondContact O-CB 3.49Å; N96-F100 PolarHBondContact O-N 3.27Å; S97-F100 WeakPolarHBondContact O-CB 3.39Å; F98-F100 PolarHBondContact O-N 3.34Å; F100-V102 PolarHBondContact O-N 2.92Å; F100-Q103 PolarHBondContact O-N 3.08Å; F100-L104 HydrophobicContact CD1-CD1 4.08Å; F100-L104 HydrophobicContact CD2-CD1 3.48Å; F100-L104 VanDerWaalsContact CD2-CD1 3.48Å; F100-L104 HydrophobicContact CE1-CD1 3.7Å; F100-L104 HydrophobicContact CE2-CD1 3.06Å; F100-L104 HydrophobicContact CE2-CG 4.42Å; F100-L104 HydrophobicContact CG-CD1 3.99Å; F100-L104 HydrophobicContact CZ-CD1 3.17Å; F100-L104 WeakPolarHBondContact O-CB 3.47Å; F100-L104 PolarHBondContact O-N 3.45Å
101L85.9Confident86.7Confident1 Ų144 Ų441%0.00522%0.218CC..Hα-helixtrans-57.6-47.3176.2-85.3168.5000111.8V43 S97 F98 V105 S106 F176V43-L101 HydrophobicContact CG1-CD1 3.75Å; V43-L101 HydrophobicContact CG1-CD2 3.49Å; V43-L101 VanDerWaalsContact CG1-CD2 3.49Å; V43-L101 HydrophobicContact CG1-CG 4.24Å; V43-L101 HydrophobicContact CG2-CD1 4.11Å; S97-L101 PolarHBondContact O-N 2.95Å; F98-L101 HydrophobicContact CD1-CD1 4.43Å; F98-L101 WeakPolarHBondContact O-CB 3.32Å; F98-L101 PolarHBondContact O-N 3.2Å; F98-L101 VanDerWaalsContact O-N 3.11Å; L101-V105 HydrophobicContact CD2-CG2 3.96Å; L101-V105 WeakPolarHBondContact O-CA 3.43Å; L101-V105 WeakPolarHBondContact O-CB 3.45Å; L101-V105 PolarHBondContact O-N 2.73Å; L101-S106 PolarHBondContact O-N 3.13Å; L101-F176 HydrophobicContact CD1-CB 3.92Å; L101-F176 HydrophobicContact CD1-CG 4.23Å
102V85.6Confident87Confident1 Ų143.6 Ų43.61%0.00622%0.221CC..Iπ-helixtrans-65.7-49.4179.4170.60000111.3T50 L58 L61 L71 F98 S99 F100 L104 S106 R107T50-V102 HydrophobicContact CG2-CB 4.44Å; T50-V102 HydrophobicContact CG2-CG1 3.67Å; T50-V102 HydrophobicContact CG2-CG2 4Å; L58-V102 HydrophobicContact CB-CG1 3.75Å; L58-V102 HydrophobicContact CD1-CG1 4.46Å; L61-V102 HydrophobicContact CD1-CG2 3.84Å; L71-V102 HydrophobicContact CD1-CB 3.91Å; L71-V102 HydrophobicContact CD1-CG1 3.76Å; L71-V102 HydrophobicContact CD1-CG2 3.99Å; F98-V102 WeakPolarHBondContact O-CG2 3.25Å; F98-V102 PolarHBondContact O-N 3.1Å; S99-V102 PolarHBondContact O-N 2.93Å; F100-V102 PolarHBondContact O-N 2.92Å; V102-L104 VanDerWaalsContact C-N 3.32Å; V102-L104 PolarHBondContact O-N 3.44Å; V102-S106 WeakPolarHBondContact O-CB 3.33Å; V102-S106 PolarHBondContact O-N 2.93Å; V102-R107 PolarHBondContact O-N 2.81Å
103Q83.6Confident87.3Confident114 Ų11445.4 Ų45.453%0.53324%0.237SC..Iπ-helixtrans-67.7-29.9-175.9-73.3-1772.300113.9S99 F100 R107S99-Q103 VanDerWaalsContact O-CB 3.23Å; S99-Q103 WeakPolarHBondContact O-CB 3.28Å; S99-Q103 WeakPolarHBondContact O-CG 3.39Å; S99-Q103 PolarHBondContact O-N 3.39Å; F100-Q103 PolarHBondContact O-N 3.08Å; Q103-R107 WeakPolarHBondContact O-CB 3.46Å
104L86.4Confident87.5Confident64 Ų6442.3 Ų42.334%0.33522%0.22SC..Iπ-helixtrans-96.9-53.6179.9-68.8172.3000112F100 V102 S108F100-L104 HydrophobicContact CD1-CD1 4.08Å; F100-L104 HydrophobicContact CD2-CD1 3.48Å; F100-L104 VanDerWaalsContact CD2-CD1 3.48Å; F100-L104 HydrophobicContact CE1-CD1 3.7Å; F100-L104 HydrophobicContact CE2-CD1 3.06Å; F100-L104 HydrophobicContact CE2-CG 4.42Å; F100-L104 HydrophobicContact CG-CD1 3.99Å; F100-L104 HydrophobicContact CZ-CD1 3.17Å; F100-L104 WeakPolarHBondContact O-CB 3.47Å; F100-L104 PolarHBondContact O-N 3.45Å; V102-L104 VanDerWaalsContact C-N 3.32Å; V102-L104 PolarHBondContact O-N 3.44Å; L104-S108 WeakPolarHBondContact O-CB 3.44Å; L104-S108 PolarHBondContact O-N 2.86Å; L104-S108 PolarHBondContact O-OG 3.01Å
105V90.9Very high87.8Confident0 Ų046.3 Ų46.30%024%0.241CC..Iπ-helixtrans-78.5-50.5-173-176.60000111.1C47 L101 R107 S108 F109 T165 Q168 I169C47-V105 HydrophobicContact CB-CB 4.2Å; C47-V105 HydrophobicContact CB-CG1 3.71Å; L101-V105 HydrophobicContact CD2-CG2 3.96Å; L101-V105 WeakPolarHBondContact O-CA 3.43Å; L101-V105 WeakPolarHBondContact O-CB 3.45Å; L101-V105 PolarHBondContact O-N 2.73Å; V105-R107 PolarHBondContact O-N 3.46Å; V105-S108 WeakPolarHBondContact O-CB 3.37Å; V105-S108 PolarHBondContact O-N 3.38Å; V105-S108 VanDerWaalsContact O-N 3.15Å; V105-F109 HydrophobicContact CG1-CD2 4.35Å; V105-F109 HydrophobicContact CG1-CE1 4.17Å; V105-F109 HydrophobicContact CG1-CE2 3.73Å; V105-F109 HydrophobicContact CG1-CZ 3.65Å; V105-F109 WeakPolarHBondContact O-CG 3.47Å; V105-F109 PolarHBondContact O-N 3Å; V105-T165 HydrophobicContact CG1-CG2 4.5Å; V105-Q168 HydrophobicContact CG2-CB 4.14Å; V105-I169 HydrophobicContact CB-CG1 4.46Å; V105-I169 HydrophobicContact CG1-CD1 4.14Å; V105-I169 HydrophobicContact CG1-CG1 3.49Å; V105-I169 VanDerWaalsContact CG1-CG1 3.49Å; V105-I169 HydrophobicContact CG2-CG1 4.09Å
106S91.3Very high88.1Confident0 Ų053.2 Ų53.20%027%0.273CS..Iπ-helixtrans-66.1-33.2-178.6-51.20000111.3C47 A51 L101 V102 F109 Q110C47-S106 VanDerWaalsContact CA-OG 3.29Å; C47-S106 WeakPolarHBondContact CA-OG 3.48Å; C47-S106 WeakPolarHBondContact O-CB 3.49Å; C47-S106 PolarHBondContact O-OG 3.37Å; C47-S106 VanDerWaalsContact O-OG 3.09Å; A51-S106 VanDerWaalsContact CB-O 3.27Å; A51-S106 WeakPolarHBondContact CB-O 3.36Å; L101-S106 PolarHBondContact O-N 3.13Å; V102-S106 WeakPolarHBondContact O-CB 3.33Å; V102-S106 PolarHBondContact O-N 2.93Å; S106-F109 WeakPolarHBondContact O-CB 3.41Å; S106-F109 PolarHBondContact O-N 3.39Å; S106-Q110 PolarHBondContact O-N 3.37Å
107R90.4Very high88.3Confident118 Ų11852.3 Ų52.345%0.44527%0.273SS..Hα-helixtrans-67.6-41.2172.7-169.4163.9-73.9175.30.5112.5L58 V102 Q103 V105 F109 Q110 S111L58-R107 HydrophobicContact CD1-CB 3.89Å; V102-R107 PolarHBondContact O-N 2.81Å; Q103-R107 WeakPolarHBondContact O-CB 3.46Å; V105-R107 PolarHBondContact O-N 3.46Å; R107-F109 VanDerWaalsContact C-N 3.28Å; R107-F109 PolarHBondContact O-N 3.36Å; R107-Q110 PolarHBondContact O-N 3.25Å; R107-S111 WeakPolarHBondContact O-CB 3.36Å; R107-S111 PolarHBondContact O-N 2.84Å; R107-S111 PolarHBondContact O-OG 2.99Å
108S91.2Very high88.8Confident20 Ų2052.5 Ų52.514%0.1427%0.272CS..Hα-helixtrans-58.2-41172.4-70.60000111.4L104 V105 S111 C112 Q168L104-S108 WeakPolarHBondContact O-CB 3.44Å; L104-S108 PolarHBondContact O-N 2.86Å; L104-S108 PolarHBondContact O-OG 3.01Å; V105-S108 WeakPolarHBondContact O-CB 3.37Å; V105-S108 PolarHBondContact O-N 3.38Å; V105-S108 VanDerWaalsContact O-N 3.15Å; S108-S111 PolarHBondContact O-N 2.97Å; S108-S111 PolarHBondContact O-OG 3.24Å; S108-C112 WeakPolarHBondContact O-CB 3.45Å; S108-C112 PolarHBondContact O-N 3.3Å; S108-C112 PolarHBondContact O-SG 2.94Å; S108-Q168 PolarHBondContact OG-OE1 2.97Å
109F91.6Very high89.3Confident13 Ų1354.2 Ų54.26%0.05728%0.281CS..Hα-helixtrans-62.1-43.6174.2-64.6-22.5000112.9F44 C47 V48 A51 V105 S106 R107 N113 F114 L122 T165 I169F44-F109 HydrophobicContact CD2-CZ 4.44Å; F44-F109 HydrophobicContact CE2-CZ 4.13Å; F44-F109 HydrophobicContact CZ-CZ 4.43Å; C47-F109 HydrophobicContact CB-CD2 4.11Å; C47-F109 HydrophobicContact CB-CE2 3.56Å; V48-F109 HydrophobicContact CB-CD2 4.38Å; V48-F109 HydrophobicContact CB-CE2 4.23Å; V48-F109 HydrophobicContact CG2-CD2 3.82Å; V48-F109 HydrophobicContact CG2-CE2 3.37Å; V48-F109 HydrophobicContact CG2-CZ 3.91Å; A51-F109 HydrophobicContact CB-CB 3.53Å; A51-F109 HydrophobicContact CB-CD2 4.09Å; A51-F109 HydrophobicContact CB-CG 4.34Å; V105-F109 HydrophobicContact CG1-CD2 4.35Å; V105-F109 HydrophobicContact CG1-CE1 4.17Å; V105-F109 HydrophobicContact CG1-CE2 3.73Å; V105-F109 HydrophobicContact CG1-CZ 3.65Å; V105-F109 WeakPolarHBondContact O-CG 3.47Å; V105-F109 PolarHBondContact O-N 3Å; S106-F109 WeakPolarHBondContact O-CB 3.41Å; S106-F109 PolarHBondContact O-N 3.39Å; R107-F109 VanDerWaalsContact C-N 3.28Å; R107-F109 PolarHBondContact O-N 3.36Å; F109-N113 PolarHBondContact O-N 3.48Å; F109-F114 AromaticContact CD1-CD2 3.64Å; F109-F114 HydrophobicContact CD1-CD2 3.64Å; F109-F114 AromaticContact CD1-CE2 3.81Å; F109-F114 HydrophobicContact CD1-CE2 3.81Å; F109-F114 HydrophobicContact CE1-CD2 4.17Å; F109-F114 HydrophobicContact CE1-CE2 4.19Å; F109-L122 HydrophobicContact CD1-CD2 4.5Å; F109-L122 HydrophobicContact CE1-CD2 3.57Å; F109-L122 HydrophobicContact CZ-CD2 4.3Å; F109-T165 HydrophobicContact CD1-CG2 4.11Å; F109-T165 HydrophobicContact CE1-CG2 3.66Å; F109-I169 HydrophobicContact CE1-CD1 4.32Å; F109-I169 HydrophobicContact CZ-CD1 4.04Å
110Q90.4Very high89.7Confident65 Ų6556.2 Ų56.230%0.30430%0.295SS..Hα-helixtrans-64.9-43.1175.7-73-176-28.300112.6A51 G55 S106 R107A51-Q110 HydrophobicContact CB-CG 3.98Å; A51-Q110 VanDerWaalsContact O-CG 3.26Å; A51-Q110 WeakPolarHBondContact O-CG 3.31Å; A51-Q110 PolarHBondContact O-NE2 3.29Å; G55-Q110 PolarHBondContact O-NE2 3.19Å; S106-Q110 PolarHBondContact O-N 3.37Å; R107-Q110 PolarHBondContact O-N 3.25Å
111S89.8Confident90.2Very high89 Ų8954.5 Ų54.562%0.62229%0.289SS*.Hα-helixtrans-76.4-38.3-175.165.20000113.1R107 S108 N113R107-S111 WeakPolarHBondContact O-CB 3.36Å; R107-S111 PolarHBondContact O-N 2.84Å; R107-S111 PolarHBondContact O-OG 2.99Å; S108-S111 PolarHBondContact O-N 2.97Å; S108-S111 PolarHBondContact O-OG 3.24Å; S111-N113 VanDerWaalsContact C-N 3.28Å
112C88.3Confident90.7Very high26 Ų2654.4 Ų54.418%0.17629%0.289CS..Hα-helixtrans-78.5-19.4178.4-56.90000111.4S108 F114 Q161S108-C112 WeakPolarHBondContact O-CB 3.45Å; S108-C112 PolarHBondContact O-N 3.3Å; S108-C112 PolarHBondContact O-SG 2.94Å; C112-F114 VanDerWaalsContact C-N 3.28Å; C112-F114 HydrophobicContact CB-CD1 3.85Å; C112-F114 HydrophobicContact CB-CD2 4.24Å; C112-F114 HydrophobicContact CB-CE1 3.51Å; C112-F114 HydrophobicContact CB-CE2 3.92Å; C112-F114 HydrophobicContact CB-CG 4.2Å; C112-F114 HydrophobicContact CB-CZ 3.55Å; C112-F114 PolarHBondContact O-N 2.79Å; C112-Q161 HydrophobicContact CB-CG 4.44Å
113N87.8Confident91.2Very high134 Ų13457.4 Ų57.472%0.71730%0.301SS*.THydrogen-bonded Turntrans50.349.5-179.4-171.454.2000111.6F109 S111 D115F109-N113 PolarHBondContact O-N 3.48Å; S111-N113 VanDerWaalsContact C-N 3.28Å; N113-D115 PolarHBondContact O-N 3.17Å
114F89.4Confident91.7Very high18 Ų1855.3 Ų55.38%0.07929%0.289CS..  trans-60.1125.2-179.3-64.6-47000110.2F109 C112 L118 L119 L122 Q161 I162 T165F109-F114 AromaticContact CD1-CD2 3.64Å; F109-F114 HydrophobicContact CD1-CD2 3.64Å; F109-F114 AromaticContact CD1-CE2 3.81Å; F109-F114 HydrophobicContact CD1-CE2 3.81Å; F109-F114 HydrophobicContact CE1-CD2 4.17Å; F109-F114 HydrophobicContact CE1-CE2 4.19Å; C112-F114 VanDerWaalsContact C-N 3.28Å; C112-F114 HydrophobicContact CB-CD1 3.85Å; C112-F114 HydrophobicContact CB-CD2 4.24Å; C112-F114 HydrophobicContact CB-CE1 3.51Å; C112-F114 HydrophobicContact CB-CE2 3.92Å; C112-F114 HydrophobicContact CB-CG 4.2Å; C112-F114 HydrophobicContact CB-CZ 3.55Å; C112-F114 PolarHBondContact O-N 2.79Å; F114-L118 HydrophobicContact CB-CB 4.13Å; F114-L118 HydrophobicContact CD1-CB 3.89Å; F114-L118 HydrophobicContact CD1-CD1 4Å; F114-L118 HydrophobicContact CG-CB 4.33Å; F114-L119 HydrophobicContact CB-CD2 3.7Å; F114-L119 HydrophobicContact CB-CG 3.69Å; F114-L119 HydrophobicContact CD2-CD2 4.11Å; F114-L119 HydrophobicContact CG-CD2 4.35Å; F114-L122 HydrophobicContact CD2-CD2 4.25Å; F114-L122 HydrophobicContact CE2-CD2 3.9Å; F114-Q161 HydrophobicContact CE1-CB 3.8Å; F114-Q161 HydrophobicContact CZ-CB 3.82Å; F114-I162 HydrophobicContact CE1-CG1 4.28Å; F114-I162 HydrophobicContact CZ-CG1 4.44Å; F114-T165 HydrophobicContact CE2-CG2 4.23Å
115D90.4Very high92.1Very high87 Ų8752.8 Ų52.847%0.46528%0.275SS..  trans-79.2175168.663.84.3000110.8N113 P117 L118 L119N113-D115 PolarHBondContact O-N 3.17Å; D115-P117 WeakPolarHBondContact OD1-CD 3.37Å; D115-L118 PolarHBondContact O-N 2.8Å; D115-L118 WeakPolarHBondContact OD1-CB 3.33Å; D115-L118 VanDerWaalsContact OD1-CG 3.23Å; D115-L118 WeakPolarHBondContact OD1-CG 3.26Å; D115-L118 PolarHBondContact OD1-N 2.88Å; D115-L118 VanDerWaalsContact OD1-N 3.12Å; D115-L119 WeakPolarHBondContact O-CB 3.46Å; D115-L119 WeakPolarHBondContact O-CG 3.36Å; D115-L119 PolarHBondContact O-N 3.37Å
116E90.6Very high92.3Very high158 Ų15852.8 Ų52.874%0.73828%0.275SS*.Hα-helixtrans-57-42.1-176.5-177178.9-169.100113.7L119 S120E116-L119 PolarHBondContact O-N 3.02Å; E116-S120 WeakPolarHBondContact O-CB 3.31Å; E116-S120 PolarHBondContact O-N 2.92Å; E116-S120 PolarHBondContact O-OG 2.96Å
117P93Very high92.4Very high78 Ų7854.8 Ų54.851%0.50629%0.286SS..Hα-helixtrans-59.3-47.8173.2-26.234.7000113.9D115 S120 I121D115-P117 WeakPolarHBondContact OD1-CD 3.37Å; P117-S120 WeakPolarHBondContact O-CB 3.36Å; P117-S120 PolarHBondContact O-N 3.3Å; P117-I121 WeakPolarHBondContact O-CG1 3.42Å; P117-I121 PolarHBondContact O-N 2.83Å
118L94.8Very high92.4Very high22 Ų2249.8 Ų49.812%0.11527%0.268CS..Hα-helixtrans-67.3-39.2-179.6-67.6177.1000111.7F114 D115 S120 I121 L122 L151 S158 I162F114-L118 HydrophobicContact CB-CB 4.13Å; F114-L118 HydrophobicContact CD1-CB 3.89Å; F114-L118 HydrophobicContact CD1-CD1 4Å; F114-L118 HydrophobicContact CG-CB 4.33Å; D115-L118 PolarHBondContact O-N 2.8Å; D115-L118 WeakPolarHBondContact OD1-CB 3.33Å; D115-L118 VanDerWaalsContact OD1-CG 3.23Å; D115-L118 WeakPolarHBondContact OD1-CG 3.26Å; D115-L118 PolarHBondContact OD1-N 2.88Å; D115-L118 VanDerWaalsContact OD1-N 3.12Å; L118-S120 VanDerWaalsContact C-N 3.3Å; L118-S120 PolarHBondContact O-N 3.33Å; L118-I121 PolarHBondContact O-N 3.46Å; L118-L122 WeakPolarHBondContact O-CB 3.45Å; L118-L122 PolarHBondContact O-N 2.9Å; L118-L151 HydrophobicContact CD2-CD1 3.76Å; L118-L151 HydrophobicContact CD2-CD2 4.09Å; L118-S158 WeakPolarHBondContact CD1-OG 3.27Å; L118-I162 HydrophobicContact CB-CD1 4.44Å; L118-I162 HydrophobicContact CD2-CD1 4.09Å
119L93.8Very high92.4Very high39 Ų3951.4 Ų51.420%0.20427%0.274CS..Hα-helixtrans-60.8-40.6172.9-74.1173.9000111.7V48 F114 D115 E116 L122 F123V48-L119 HydrophobicContact CG2-CD2 4.26Å; F114-L119 HydrophobicContact CB-CD2 3.7Å; F114-L119 HydrophobicContact CB-CG 3.69Å; F114-L119 HydrophobicContact CD2-CD2 4.11Å; F114-L119 HydrophobicContact CG-CD2 4.35Å; D115-L119 WeakPolarHBondContact O-CB 3.46Å; D115-L119 WeakPolarHBondContact O-CG 3.36Å; D115-L119 PolarHBondContact O-N 3.37Å; E116-L119 PolarHBondContact O-N 3.02Å; L119-L122 PolarHBondContact O-N 3.29Å; L119-F123 VanDerWaalsContact O-CB 3.24Å; L119-F123 WeakPolarHBondContact O-CB 3.23Å; L119-F123 PolarHBondContact O-N 3.4Å
120S93.8Very high92.3Very high64 Ų6451.7 Ų51.745%0.44828%0.279SS..Hα-helixtrans-66.2-42.8178.5-60.40000112E116 P117 L118 F123 Y124E116-S120 WeakPolarHBondContact O-CB 3.31Å; E116-S120 PolarHBondContact O-N 2.92Å; E116-S120 PolarHBondContact O-OG 2.96Å; P117-S120 WeakPolarHBondContact O-CB 3.36Å; P117-S120 PolarHBondContact O-N 3.3Å; L118-S120 VanDerWaalsContact C-N 3.3Å; L118-S120 PolarHBondContact O-N 3.33Å; S120-F123 PolarHBondContact O-N 2.94Å; S120-Y124 WeakPolarHBondContact O-CB 3.43Å; S120-Y124 PolarHBondContact O-N 3.46Å
121I95.8Very high92.1Very high33 Ų3350.2 Ų50.217%0.16927%0.274CS..Hα-helixtrans-63.8-45.8175.3-67.1168.1000110.3P117 L118 Y124 K125 L148 L151 I162P117-I121 WeakPolarHBondContact O-CG1 3.42Å; P117-I121 PolarHBondContact O-N 2.83Å; L118-I121 PolarHBondContact O-N 3.46Å; I121-Y124 PolarHBondContact O-N 2.95Å; I121-K125 WeakPolarHBondContact O-CB 3.34Å; I121-K125 PolarHBondContact O-N 2.84Å; I121-L148 HydrophobicContact CG2-CD2 3.95Å; I121-L151 HydrophobicContact CD1-CD2 4.41Å; I121-L151 HydrophobicContact CG2-CD2 4.37Å; I121-I162 HydrophobicContact CB-CD1 3.95Å; I121-I162 HydrophobicContact CG2-CD1 3.71Å
122L96.7Very high91.7Very high0 Ų048.5 Ų48.50%026%0.261CS..Hα-helixtrans-61.3-46.917817962000111.3F44 F109 F114 L118 L119 Y124 K125 C126 I162 T165 I169F44-L122 HydrophobicContact CE2-CD2 4.09Å; F44-L122 HydrophobicContact CE2-CG 4Å; F109-L122 HydrophobicContact CD1-CD2 4.5Å; F109-L122 HydrophobicContact CE1-CD2 3.57Å; F109-L122 HydrophobicContact CZ-CD2 4.3Å; F114-L122 HydrophobicContact CD2-CD2 4.25Å; F114-L122 HydrophobicContact CE2-CD2 3.9Å; L118-L122 WeakPolarHBondContact O-CB 3.45Å; L118-L122 PolarHBondContact O-N 2.9Å; L119-L122 PolarHBondContact O-N 3.29Å; L122-Y124 PolarHBondContact O-N 3.39Å; L122-K125 WeakPolarHBondContact O-CB 3.33Å; L122-K125 PolarHBondContact O-N 3.26Å; L122-C126 PolarHBondContact O-N 2.86Å; L122-C126 PolarHBondContact O-SG 3.36Å; L122-I162 HydrophobicContact CB-CD1 4.31Å; L122-I162 HydrophobicContact CB-CG1 4.22Å; L122-I162 HydrophobicContact CB-CG2 4.44Å; L122-I162 HydrophobicContact CD1-CB 4.39Å; L122-I162 HydrophobicContact CD1-CG2 3.92Å; L122-I162 WeakPolarHBondContact CD1-O 3.46Å; L122-T165 HydrophobicContact CD2-CG2 3.92Å; L122-I169 HydrophobicContact CD1-CD1 4.37Å; L122-I169 HydrophobicContact CD2-CD1 4.06Å; L122-I169 HydrophobicContact CG-CD1 4.3Å
123F95.2Very high91.5Very high63 Ų6353.5 Ų53.528%0.27628%0.284SS..Hα-helixtrans-59.5-47.3177.3-177.8-116.2000111.8V41 F44 L119 S120 K125 C126 I127V41-F123 HydrophobicContact CG1-CE2 4.34Å; V41-F123 HydrophobicContact CG1-CZ 4.36Å; V41-F123 HydrophobicContact CG2-CE2 4.01Å; V41-F123 HydrophobicContact CG2-CZ 4.07Å; F44-F123 HydrophobicContact CB-CD2 4.48Å; F44-F123 AromaticContact CD1-CD2 3.6Å; F44-F123 HydrophobicContact CD1-CD2 3.6Å; F44-F123 HydrophobicContact CD1-CE2 4.1Å; F44-F123 HydrophobicContact CD2-CD2 4.11Å; F44-F123 HydrophobicContact CE1-CB 4.02Å; F44-F123 AromaticContact CE1-CD2 3.75Å; F44-F123 HydrophobicContact CE1-CD2 3.75Å; F44-F123 HydrophobicContact CE1-CG 4.24Å; F44-F123 HydrophobicContact CE2-CB 4.13Å; F44-F123 HydrophobicContact CE2-CD2 4.25Å; F44-F123 AromaticContact CG-CD2 3.8Å; F44-F123 HydrophobicContact CG-CD2 3.8Å; F44-F123 HydrophobicContact CG-CE2 4.32Å; F44-F123 HydrophobicContact CZ-CB 3.72Å; F44-F123 HydrophobicContact CZ-CD2 4.09Å; F44-F123 HydrophobicContact CZ-CG 4.37Å; L119-F123 VanDerWaalsContact O-CB 3.24Å; L119-F123 WeakPolarHBondContact O-CB 3.23Å; L119-F123 PolarHBondContact O-N 3.4Å; S120-F123 PolarHBondContact O-N 2.94Å; F123-K125 VanDerWaalsContact C-N 3.34Å; F123-K125 PolarHBondContact O-N 2.99Å; F123-C126 PolarHBondContact O-N 3.32Å; F123-I127 HydrophobicContact CD1-CD1 3.87Å; F123-I127 HydrophobicContact CD2-CD1 4.18Å; F123-I127 HydrophobicContact CD2-CG1 4.45Å; F123-I127 HydrophobicContact CE1-CD1 3.31Å; F123-I127 HydrophobicContact CE1-CG1 4.46Å; F123-I127 HydrophobicContact CE2-CD1 3.67Å; F123-I127 HydrophobicContact CE2-CG1 4.19Å; F123-I127 HydrophobicContact CG-CD1 4.29Å; F123-I127 HydrophobicContact CZ-CD1 3.23Å; F123-I127 HydrophobicContact CZ-CG1 4.23Å; F123-I127 PolarHBondContact O-N 3.25Å
124Y94.4Very high91.3Very high71 Ų7154.5 Ų54.528%0.27829%0.289SS..Hα-helixtrans-61.3-42.2177.6-176.7-110.9000112S120 I121 L122 T128 A140 N143 R144 L147S120-Y124 WeakPolarHBondContact O-CB 3.43Å; S120-Y124 PolarHBondContact O-N 3.46Å; I121-Y124 PolarHBondContact O-N 2.95Å; L122-Y124 PolarHBondContact O-N 3.39Å; Y124-T128 HydrophobicContact CD2-CG2 4.25Å; Y124-T128 HydrophobicContact CE1-CG2 4.17Å; Y124-T128 HydrophobicContact CE2-CG2 3.83Å; Y124-T128 WeakPolarHBondContact O-CB 3.43Å; Y124-T128 VanDerWaalsContact O-CG2 3.31Å; Y124-T128 WeakPolarHBondContact O-CG2 3.49Å; Y124-T128 PolarHBondContact O-N 3.45Å; Y124-T128 VanDerWaalsContact O-N 3.08Å; Y124-T128 PolarHBondContact O-OG1 3.03Å; Y124-A140 WeakPolarHBondContact OH-CA 3.33Å; Y124-A140 PolarHBondContact OH-O 3.1Å; Y124-N143 HydrophobicContact CE1-CB 4.4Å; Y124-R144 HydrophobicContact CD1-CB 4.21Å; Y124-R144 HydrophobicContact CE1-CB 3.75Å; Y124-L147 HydrophobicContact CD1-CD1 3.96Å; Y124-L147 HydrophobicContact CE1-CD1 4.13Å
125K95.4Very high90.9Very high10 Ų1060.9 Ų60.94%0.04332%0.317CS..Hα-helixtrans-58.4-51.1172.2175.2-179.4169.268.80111.1I121 L122 F123 I127 T128 E129 R144 L148 I162 Q163 S166I121-K125 WeakPolarHBondContact O-CB 3.34Å; I121-K125 PolarHBondContact O-N 2.84Å; L122-K125 WeakPolarHBondContact O-CB 3.33Å; L122-K125 PolarHBondContact O-N 3.26Å; F123-K125 VanDerWaalsContact C-N 3.34Å; F123-K125 PolarHBondContact O-N 2.99Å; K125-I127 PolarHBondContact O-N 2.79Å; K125-T128 PolarHBondContact O-N 3.48Å; K125-T128 PolarHBondContact O-OG1 3.49Å; K125-E129 WeakPolarHBondContact CE-OE2 3.4Å; K125-E129 VanDerWaalsContact NZ-CD 3.35Å; K125-E129 IonicContact NZ-OE1 2.7Å; K125-E129 PolarHBondContact NZ-OE1 3.15Å; K125-E129 IonicContact NZ-OE2 3.13Å; K125-E129 PolarHBondContact NZ-OE2 2.91Å; K125-E129 WeakPolarHBondContact O-CB 3.26Å; K125-E129 WeakPolarHBondContact O-CG 3.34Å; K125-E129 PolarHBondContact O-N 3.4Å; K125-R144 HydrophobicContact CB-CG 4.37Å; K125-L148 HydrophobicContact CD-CD1 4.05Å; K125-L148 HydrophobicContact CD-CD2 4.27Å; K125-L148 HydrophobicContact CG-CD1 4.4Å; K125-I162 HydrophobicContact CD-CG2 3.84Å; K125-Q163 VanDerWaalsContact CE-OE1 3.29Å; K125-S166 WeakPolarHBondContact CE-OG 3.25Å
126C95Very high90.6Very high0 Ų060 Ų600%031%0.308CS..Hα-helixtrans-62.7-42.7-177.5-64.90000112.6L40 L122 F123 E129 A130 S166 H170L40-C126 HydrophobicContact CD1-CB 4.21Å; L40-C126 HydrophobicContact CD2-CB 3.74Å; L122-C126 PolarHBondContact O-N 2.86Å; L122-C126 PolarHBondContact O-SG 3.36Å; F123-C126 PolarHBondContact O-N 3.32Å; C126-E129 PolarHBondContact O-N 2.85Å; C126-A130 WeakPolarHBondContact O-CB 3.47Å; C126-A130 PolarHBondContact O-N 3.34Å; C126-S166 PolarHBondContact SG-OG 3.07Å; C126-H170 WeakPolarHBondContact CA-NE2 3.37Å; C126-H170 PolarHBondContact O-CE1 3.08Å; C126-H170 PolarHBondContact O-NE2 2.86Å
127I91.8Very high90.5Very high43 Ų4358.6 Ų58.622%0.22130%0.301CS..Hα-helixtrans-63.7-48.5178-72.9180000111.2I37 L40 V41 F123 K125 E129 A130 V131I37-I127 HydrophobicContact CG2-CG2 4.32Å; L40-I127 HydrophobicContact CD2-CG1 4.29Å; V41-I127 HydrophobicContact CG2-CD1 4.05Å; V41-I127 HydrophobicContact CG2-CG1 4.29Å; F123-I127 HydrophobicContact CD1-CD1 3.87Å; F123-I127 HydrophobicContact CD2-CD1 4.18Å; F123-I127 HydrophobicContact CD2-CG1 4.45Å; F123-I127 HydrophobicContact CE1-CD1 3.31Å; F123-I127 HydrophobicContact CE1-CG1 4.46Å; F123-I127 HydrophobicContact CE2-CD1 3.67Å; F123-I127 HydrophobicContact CE2-CG1 4.19Å; F123-I127 HydrophobicContact CG-CD1 4.29Å; F123-I127 HydrophobicContact CZ-CD1 3.23Å; F123-I127 HydrophobicContact CZ-CG1 4.23Å; F123-I127 PolarHBondContact O-N 3.25Å; K125-I127 PolarHBondContact O-N 2.79Å; I127-E129 PolarHBondContact O-N 3.37Å; I127-A130 WeakPolarHBondContact O-CB 3.33Å; I127-A130 PolarHBondContact O-N 3.21Å; I127-A130 VanDerWaalsContact O-N 3.1Å; I127-V131 PolarHBondContact O-N 3.01Å
128T91.3Very high90.2Very high12 Ų1259.4 Ų59.47%0.07431%0.307CS..Hα-helixtrans-63.5-33.3-178.451.40000111.9Y124 K125 R136 A140 R144Y124-T128 HydrophobicContact CD2-CG2 4.25Å; Y124-T128 HydrophobicContact CE1-CG2 4.17Å; Y124-T128 HydrophobicContact CE2-CG2 3.83Å; Y124-T128 WeakPolarHBondContact O-CB 3.43Å; Y124-T128 VanDerWaalsContact O-CG2 3.31Å; Y124-T128 WeakPolarHBondContact O-CG2 3.49Å; Y124-T128 PolarHBondContact O-N 3.45Å; Y124-T128 VanDerWaalsContact O-N 3.08Å; Y124-T128 PolarHBondContact O-OG1 3.03Å; K125-T128 PolarHBondContact O-N 3.48Å; K125-T128 PolarHBondContact O-OG1 3.49Å; T128-R136 PolarHBondContact O-NE 3.26Å; T128-A140 HydrophobicContact CG2-CB 4.12Å; T128-R144 WeakPolarHBondContact OG1-CD 3.25Å
129E91.1Very high89.9Confident55 Ų5564.6 Ų64.626%0.25733%0.329SS..Hα-helixtrans-77.6-21.6175.2-73.1177.7171.600113.8K125 C126 I127 R136 S166 H170K125-E129 WeakPolarHBondContact CE-OE2 3.4Å; K125-E129 VanDerWaalsContact NZ-CD 3.35Å; K125-E129 IonicContact NZ-OE1 2.7Å; K125-E129 PolarHBondContact NZ-OE1 3.15Å; K125-E129 IonicContact NZ-OE2 3.13Å; K125-E129 PolarHBondContact NZ-OE2 2.91Å; K125-E129 WeakPolarHBondContact O-CB 3.26Å; K125-E129 WeakPolarHBondContact O-CG 3.34Å; K125-E129 PolarHBondContact O-N 3.4Å; C126-E129 PolarHBondContact O-N 2.85Å; I127-E129 PolarHBondContact O-N 3.37Å; E129-R136 PolarHBondContact O-NH2 2.73Å; E129-S166 PolarHBondContact OE2-OG 3.23Å; E129-H170 WeakPolarHBondContact CB-NE2 3.42Å; E129-H170 IonicContact OE2-CD2 2.73Å; E129-H170 IonicContact OE2-NE2 3.28Å
130A88.9Confident89.7Confident19 Ų1964 Ų6416%0.15733%0.33CS..Hα-helixtrans-70.9-31.1175.500000112.7I37 L40 C126 I127I37-A130 HydrophobicContact CG1-CB 4.12Å; L40-A130 HydrophobicContact CD1-CB 4.12Å; C126-A130 WeakPolarHBondContact O-CB 3.47Å; C126-A130 PolarHBondContact O-N 3.34Å; I127-A130 WeakPolarHBondContact O-CB 3.33Å; I127-A130 PolarHBondContact O-N 3.21Å; I127-A130 VanDerWaalsContact O-N 3.1Å
131V86.4Confident89.4Confident33 Ų3362.6 Ų62.620%0.232%0.317CS..SBendtrans-66.6134.4177.6-177.50000109.3I37 I127 F135 R136I37-V131 HydrophobicContact CD1-CG2 3.71Å; I37-V131 HydrophobicContact CG1-CG2 4.37Å; I127-V131 PolarHBondContact O-N 3.01Å; V131-F135 HydrophobicContact CG1-CB 4.05Å; V131-R136 HydrophobicContact CB-CG 3.88Å; V131-R136 HydrophobicContact CG1-CG 3.81Å; V131-R136 PolarHBondContact O-NE 3.1Å; V131-R136 PolarHBondContact O-NH2 2.97Å; V131-R136 VanDerWaalsContact O-NH2 3.08Å
132P82.7Confident89.3Confident54 Ų5465.5 Ų65.535%0.35134%0.336SS..  trans-64.6142.5175.6-1526.1000111.2P33 N134 F135 R136P33-P132 HydrophobicContact CB-CG 4.37Å; P132-N134 PolarHBondContact O-N 3.49Å; P132-F135 HydrophobicContact CB-CD2 3.97Å; P132-F135 HydrophobicContact CG-CD2 4.05Å; P132-F135 PolarHBondContact O-N 2.86Å; P132-R136 PolarHBondContact O-N 3.48Å
133I83.8Confident89.2Confident131 Ų13168 Ų6867%0.67235%0.349SS*.G310 helixtrans-50.2-40.2-172.2-64.2172.1000112.7F135 R136I133-F135 PolarHBondContact O-N 2.94Å; I133-R136 PolarHBondContact O-N 3.45Å
134N83.6Confident89.2Confident154 Ų15466 Ų6682%0.82434%0.34SS*.G310 helixtrans-68.1-15.3-178.6-61.3-19.2000114.2P132P132-N134 PolarHBondContact O-N 3.49Å
135F81.6Confident89.2Confident152 Ų15266.1 Ų66.167%0.66735%0.346SS*.G310 helixtrans-113.40.4179.3-59-73.6000112.6V131 P132 I133 H137V131-F135 HydrophobicContact CG1-CB 4.05Å; P132-F135 HydrophobicContact CB-CD2 3.97Å; P132-F135 HydrophobicContact CG-CD2 4.05Å; P132-F135 PolarHBondContact O-N 2.86Å; I133-F135 PolarHBondContact O-N 2.94Å; F135-H137 PolarHBondContact O-N 3.32Å
136R83.9Confident89.2Confident69 Ų6968.5 Ų68.526%0.2636%0.364SS..  trans-71.2132177.4-72.1-177-165.8-179.22110.3T128 E129 V131 P132 I133T128-R136 PolarHBondContact O-NE 3.26Å; E129-R136 PolarHBondContact O-NH2 2.73Å; V131-R136 HydrophobicContact CB-CG 3.88Å; V131-R136 HydrophobicContact CG1-CG 3.81Å; V131-R136 PolarHBondContact O-NE 3.1Å; V131-R136 PolarHBondContact O-NH2 2.97Å; V131-R136 VanDerWaalsContact O-NH2 3.08Å; P132-R136 PolarHBondContact O-N 3.48Å; I133-R136 PolarHBondContact O-N 3.45Å
137H87.1Confident89.3Confident129 Ų12972.2 Ų72.260%0.59738%0.383SS*.  trans-77.7124.7171.5-166.6-73.6000109.2F135 F139 A140 D141F135-H137 PolarHBondContact O-N 3.32Å; H137-F139 VanDerWaalsContact ND1-CB 3.26Å; H137-F139 WeakPolarHBondContact ND1-CB 3.48Å; H137-F139 PolarHBondContact ND1-N 3.25Å; H137-F139 PolarHBondContact O-N 3.42Å; H137-F139 VanDerWaalsContact O-N 3.11Å; H137-A140 HydrophobicContact CB-CB 4.49Å; H137-A140 WeakPolarHBondContact O-CB 3.41Å; H137-A140 PolarHBondContact O-N 2.73Å; H137-D141 PolarHBondContact O-N 3.43Å
138C87.6Confident89.5Confident94 Ų9470.6 Ų70.664%0.63538%0.375SS*.Hα-helixtrans-53.8-37.6-175.5600000113.5A140 D141 V142C138-A140 VanDerWaalsContact C-N 3.3Å; C138-A140 PolarHBondContact O-N 3.4Å; C138-D141 PolarHBondContact O-N 3.26Å; C138-V142 WeakPolarHBondContact O-CG2 3.38Å; C138-V142 PolarHBondContact O-N 3.19Å
139F89Confident89.8Confident131 Ų13173.1 Ų73.158%0.57539%0.39SS*.Hα-helixtrans-59.6-37.1175.2-174.7-111.1000113.3H137 N143H137-F139 VanDerWaalsContact ND1-CB 3.26Å; H137-F139 WeakPolarHBondContact ND1-CB 3.48Å; H137-F139 PolarHBondContact ND1-N 3.25Å; H137-F139 PolarHBondContact O-N 3.42Å; H137-F139 VanDerWaalsContact O-N 3.11Å; F139-N143 VanDerWaalsContact CD1-ND2 3.33Å; F139-N143 WeakPolarHBondContact CD1-ND2 3.41Å; F139-N143 WeakPolarHBondContact CE1-ND2 3.26Å; F139-N143 WeakPolarHBondContact CZ-ND2 3.18Å; F139-N143 WeakPolarHBondContact O-CB 3.4Å; F139-N143 VanDerWaalsContact O-CG 3.23Å; F139-N143 PolarHBondContact O-N 3.42Å; F139-N143 PolarHBondContact O-ND2 3.08Å
140A88.1Confident90.1Very high27 Ų2773.9 Ų73.922%0.22340%0.396CS..Hα-helixtrans-68-42.6-179.400000111.3Y124 T128 H137 C138 R144Y124-A140 WeakPolarHBondContact OH-CA 3.33Å; Y124-A140 PolarHBondContact OH-O 3.1Å; T128-A140 HydrophobicContact CG2-CB 4.12Å; H137-A140 HydrophobicContact CB-CB 4.49Å; H137-A140 WeakPolarHBondContact O-CB 3.41Å; H137-A140 PolarHBondContact O-N 2.73Å; C138-A140 VanDerWaalsContact C-N 3.3Å; C138-A140 PolarHBondContact O-N 3.4Å; A140-R144 WeakPolarHBondContact O-CB 3.16Å; A140-R144 PolarHBondContact O-N 3.11Å
141D88.1Confident90.5Very high35 Ų3573.7 Ų73.719%0.18739%0.393CS..Hα-helixtrans-63.5-48.3175-76.4-43.2000111.4H137 C138 N143 R144 D145H137-D141 PolarHBondContact O-N 3.43Å; C138-D141 PolarHBondContact O-N 3.26Å; D141-N143 VanDerWaalsContact C-N 3.34Å; D141-N143 PolarHBondContact O-N 2.67Å; D141-R144 PolarHBondContact O-N 3.49Å; D141-R144 IonicContact OD1-CZ 3Å; D141-R144 VanDerWaalsContact OD1-CZ 3.28Å; D141-R144 IonicContact OD1-NH1 3.22Å; D141-R144 PolarHBondContact OD1-NH1 3.18Å; D141-R144 IonicContact OD1-NH2 3.64Å; D141-R144 PolarHBondContact OD1-NH2 2.8Å; D141-R144 VanDerWaalsContact OD1-NH2 3.13Å; D141-D145 WeakPolarHBondContact O-CB 3.17Å; D141-D145 PolarHBondContact O-N 2.97Å
142V93.4Very high91.1Very high93 Ų9375.5 Ų75.556%0.56440%0.401SS*.Hα-helixtrans-58.8-44.8178.11710000111.4C138 D145 S146C138-V142 WeakPolarHBondContact O-CG2 3.38Å; C138-V142 PolarHBondContact O-N 3.19Å; V142-D145 PolarHBondContact O-N 2.7Å; V142-S146 WeakPolarHBondContact O-CB 2.93Å; V142-S146 PolarHBondContact O-N 2.81Å
143N93.9Very high91.8Very high52 Ų5281.6 Ų81.628%0.27842%0.417SS..Hα-helixtrans-65.3-41.3177.8-73.5-16.2000112.4Y124 F139 D141 D145 S146 L147Y124-N143 HydrophobicContact CE1-CB 4.4Å; F139-N143 VanDerWaalsContact CD1-ND2 3.33Å; F139-N143 WeakPolarHBondContact CD1-ND2 3.41Å; F139-N143 WeakPolarHBondContact CE1-ND2 3.26Å; F139-N143 WeakPolarHBondContact CZ-ND2 3.18Å; F139-N143 WeakPolarHBondContact O-CB 3.4Å; F139-N143 VanDerWaalsContact O-CG 3.23Å; F139-N143 PolarHBondContact O-N 3.42Å; F139-N143 PolarHBondContact O-ND2 3.08Å; D141-N143 VanDerWaalsContact C-N 3.34Å; D141-N143 PolarHBondContact O-N 2.67Å; N143-D145 VanDerWaalsContact C-N 3.34Å; N143-S146 PolarHBondContact O-N 3.22Å; N143-L147 WeakPolarHBondContact O-CB 3.04Å; N143-L147 WeakPolarHBondContact O-CG 3.49Å; N143-L147 PolarHBondContact O-N 3.36Å
144R95.3Very high92.4Very high21 Ų2181 Ų818%0.07942%0.42CS..Hα-helixtrans-59.6-49.7176.1177.6-158.361-131.7-9109.6Y124 K125 T128 A140 D141 S146 L147 L148Y124-R144 HydrophobicContact CD1-CB 4.21Å; Y124-R144 HydrophobicContact CE1-CB 3.75Å; K125-R144 HydrophobicContact CB-CG 4.37Å; T128-R144 WeakPolarHBondContact OG1-CD 3.25Å; A140-R144 WeakPolarHBondContact O-CB 3.16Å; A140-R144 PolarHBondContact O-N 3.11Å; D141-R144 PolarHBondContact O-N 3.49Å; D141-R144 IonicContact OD1-CZ 3Å; D141-R144 VanDerWaalsContact OD1-CZ 3.28Å; D141-R144 IonicContact OD1-NH1 3.22Å; D141-R144 PolarHBondContact OD1-NH1 3.18Å; D141-R144 IonicContact OD1-NH2 3.64Å; D141-R144 PolarHBondContact OD1-NH2 2.8Å; D141-R144 VanDerWaalsContact OD1-NH2 3.13Å; R144-S146 VanDerWaalsContact C-N 3.31Å; R144-S146 PolarHBondContact O-N 3.4Å; R144-L147 PolarHBondContact O-N 3.26Å; R144-L148 HydrophobicContact CG-CD1 3.76Å; R144-L148 HydrophobicContact CG-CG 4.35Å; R144-L148 WeakPolarHBondContact O-CB 3.38Å; R144-L148 VanDerWaalsContact O-CG 3.28Å; R144-L148 WeakPolarHBondContact O-CG 3.44Å; R144-L148 PolarHBondContact O-N 2.85Å
145D95.1Very high93Very high75 Ų7576.5 Ų76.540%0.40140%0.395SS..Hα-helixtrans-67-36-176.1-64.1-13.1000111.2D141 V142 N143 T149D141-D145 WeakPolarHBondContact O-CB 3.17Å; D141-D145 PolarHBondContact O-N 2.97Å; V142-D145 PolarHBondContact O-N 2.7Å; N143-D145 VanDerWaalsContact C-N 3.34Å; D145-T149 VanDerWaalsContact O-CB 3.23Å; D145-T149 WeakPolarHBondContact O-CB 3.35Å; D145-T149 PolarHBondContact O-N 3.41Å; D145-T149 PolarHBondContact O-OG1 2.93Å
146S96.4Very high93.7Very high60 Ų6072.8 Ų72.842%0.4239%0.386SS..Hα-helixtrans-62-50.6171.9-167.30000111.6V142 N143 R144 L148 T149 D150V142-S146 WeakPolarHBondContact O-CB 2.93Å; V142-S146 PolarHBondContact O-N 2.81Å; N143-S146 PolarHBondContact O-N 3.22Å; R144-S146 VanDerWaalsContact C-N 3.31Å; R144-S146 PolarHBondContact O-N 3.4Å; S146-L148 VanDerWaalsContact C-N 3.33Å; S146-L148 PolarHBondContact O-N 3.46Å; S146-T149 WeakPolarHBondContact O-CB 3.12Å; S146-T149 PolarHBondContact O-N 3.34Å; S146-D150 PolarHBondContact O-N 3.22Å
147L96.2Very high94.3Very high77 Ų7773.8 Ų73.840%0.40340%0.4SS..Hα-helixtrans-58.5-44.8178.2-77168000111.8Y124 N143 R144 D150 L151Y124-L147 HydrophobicContact CD1-CD1 3.96Å; Y124-L147 HydrophobicContact CE1-CD1 4.13Å; N143-L147 WeakPolarHBondContact O-CB 3.04Å; N143-L147 WeakPolarHBondContact O-CG 3.49Å; N143-L147 PolarHBondContact O-N 3.36Å; R144-L147 PolarHBondContact O-N 3.26Å; L147-D150 PolarHBondContact O-N 3.49Å; L147-L151 WeakPolarHBondContact O-CB 3.43Å; L147-L151 PolarHBondContact O-N 3.19Å
148L97.3Very high94.7Very high10 Ų1068.2 Ų68.25%0.05238%0.375CS..Hα-helixtrans-68.3-35.8178.6-70.4174.5000112.2I121 K125 R144 S146 N152 F159 I162I121-L148 HydrophobicContact CG2-CD2 3.95Å; K125-L148 HydrophobicContact CD-CD1 4.05Å; K125-L148 HydrophobicContact CD-CD2 4.27Å; K125-L148 HydrophobicContact CG-CD1 4.4Å; R144-L148 HydrophobicContact CG-CD1 3.76Å; R144-L148 HydrophobicContact CG-CG 4.35Å; R144-L148 WeakPolarHBondContact O-CB 3.38Å; R144-L148 VanDerWaalsContact O-CG 3.28Å; R144-L148 WeakPolarHBondContact O-CG 3.44Å; R144-L148 PolarHBondContact O-N 2.85Å; S146-L148 VanDerWaalsContact C-N 3.33Å; S146-L148 PolarHBondContact O-N 3.46Å; L148-N152 WeakPolarHBondContact O-CB 3.2Å; L148-N152 PolarHBondContact O-N 3.49Å; L148-F159 HydrophobicContact CB-CD2 4.4Å; L148-F159 HydrophobicContact CB-CE2 4.09Å; L148-F159 HydrophobicContact CD2-CD2 4.48Å; L148-F159 VanDerWaalsContact O-CD2 3.32Å; L148-F159 WeakPolarHBondContact O-CD2 3.37Å; L148-I162 HydrophobicContact CD2-CG2 3.93Å
149T97.5Very high95.1Very high64 Ų6466 Ų6639%0.39336%0.355SS..Hα-helixtrans-65.1-44.3174.6-62.90000110.9D145 S146 N152 R153D145-T149 VanDerWaalsContact O-CB 3.23Å; D145-T149 WeakPolarHBondContact O-CB 3.35Å; D145-T149 PolarHBondContact O-N 3.41Å; D145-T149 PolarHBondContact O-OG1 2.93Å; S146-T149 WeakPolarHBondContact O-CB 3.12Å; S146-T149 PolarHBondContact O-N 3.34Å; T149-N152 PolarHBondContact O-N 3.39Å; T149-R153 WeakPolarHBondContact O-CG 3.37Å; T149-R153 PolarHBondContact O-N 3.03Å; T149-R153 VanDerWaalsContact O-N 3.14Å
150D97Very high95.5Very high72 Ų7265.6 Ų65.639%0.38536%0.355SS..Hα-helixtrans-67.8-41.3178.4-69.8-25.9000111.1S146 L147 N152 R153 V154S146-D150 PolarHBondContact O-N 3.22Å; L147-D150 PolarHBondContact O-N 3.49Å; D150-N152 PolarHBondContact O-N 3.26Å; D150-R153 WeakPolarHBondContact O-CB 3.05Å; D150-R153 PolarHBondContact O-N 3.12Å; D150-R153 VanDerWaalsContact O-N 3.14Å; D150-R153 IonicContact OD1-NH1 3.27Å; D150-R153 PolarHBondContact OD1-NH1 3.49Å; D150-V154 WeakPolarHBondContact O-CG2 3.4Å; D150-V154 PolarHBondContact O-N 3.22Å; D150-V154 VanDerWaalsContact O-N 3.15Å
151L97.2Very high95.9Very high15 Ų1566.7 Ų66.78%0.07936%0.356CS..Hα-helixtrans-58.2-47.7172.4-178.163.2000111.5L118 I121 L147 R153 V154 D155 F159 I162L118-L151 HydrophobicContact CD2-CD1 3.76Å; L118-L151 HydrophobicContact CD2-CD2 4.09Å; I121-L151 HydrophobicContact CD1-CD2 4.41Å; I121-L151 HydrophobicContact CG2-CD2 4.37Å; L147-L151 WeakPolarHBondContact O-CB 3.43Å; L147-L151 PolarHBondContact O-N 3.19Å; L151-R153 PolarHBondContact O-N 3.02Å; L151-V154 HydrophobicContact CD1-CG2 4.4Å; L151-V154 WeakPolarHBondContact O-CG2 3.33Å; L151-V154 PolarHBondContact O-N 3.14Å; L151-V154 VanDerWaalsContact O-N 3.14Å; L151-D155 HydrophobicContact CD1-CB 4.16Å; L151-D155 CarbonylContact O-C 3.51Å; L151-D155 VanDerWaalsContact O-C 3.26Å; L151-D155 WeakPolarHBondContact O-CA 3.19Å; L151-D155 PolarHBondContact O-N 2.93Å; L151-F159 HydrophobicContact CD2-CB 4.22Å; L151-F159 HydrophobicContact CG-CB 4.08Å; L151-I162 HydrophobicContact CD2-CD1 3.55Å; L151-I162 HydrophobicContact CD2-CG1 4.44Å
152N98Very high96.3Very high71 Ų7165 Ų6538%0.3835%0.347SS..Hα-helixtrans-60.7-29178.8-170.932.4000112.9L148 T149 D150 P156 F159L148-N152 WeakPolarHBondContact O-CB 3.2Å; L148-N152 PolarHBondContact O-N 3.49Å; T149-N152 PolarHBondContact O-N 3.39Å; D150-N152 PolarHBondContact O-N 3.26Å; N152-P156 WeakPolarHBondContact O-CG 3.34Å; N152-F159 HydrophobicContact CB-CB 4.07Å; N152-F159 HydrophobicContact CB-CD1 3.97Å; N152-F159 HydrophobicContact CB-CD2 3.69Å; N152-F159 HydrophobicContact CB-CE1 4.33Å; N152-F159 HydrophobicContact CB-CE2 4.04Å; N152-F159 HydrophobicContact CB-CG 3.63Å; N152-F159 HydrophobicContact CB-CZ 4.36Å; N152-F159 WeakPolarHBondContact OD1-CD1 3.36Å
153R97Very high96.4Very high181 Ų18163.2 Ų63.268%0.68333%0.332SS*.Hα-helixtrans-74.1-37.8176.8-72.2168.3177.6162.7-3.4112.6T149 D150 L151T149-R153 WeakPolarHBondContact O-CG 3.37Å; T149-R153 PolarHBondContact O-N 3.03Å; T149-R153 VanDerWaalsContact O-N 3.14Å; D150-R153 WeakPolarHBondContact O-CB 3.05Å; D150-R153 PolarHBondContact O-N 3.12Å; D150-R153 VanDerWaalsContact O-N 3.14Å; D150-R153 IonicContact OD1-NH1 3.27Å; D150-R153 PolarHBondContact OD1-NH1 3.49Å; L151-R153 PolarHBondContact O-N 3.02Å
154V96.8Very high96.5Very high120 Ų12064.8 Ų64.873%0.72734%0.341SS*.Hα-helixtrans-93.2-35.7-174.1-57.60000112.8D150 L151D150-V154 WeakPolarHBondContact O-CG2 3.4Å; D150-V154 PolarHBondContact O-N 3.22Å; D150-V154 VanDerWaalsContact O-N 3.15Å; L151-V154 HydrophobicContact CD1-CG2 4.4Å; L151-V154 WeakPolarHBondContact O-CG2 3.33Å; L151-V154 PolarHBondContact O-N 3.14Å; L151-V154 VanDerWaalsContact O-N 3.14Å
155D96.3Very high96.4Very high58 Ų5863.9 Ų63.931%0.3134%0.337SS..  trans-147.683.6-178.7-172-9.5000110.9L151 V157 S158 F159L151-D155 HydrophobicContact CD1-CB 4.16Å; L151-D155 CarbonylContact O-C 3.51Å; L151-D155 VanDerWaalsContact O-C 3.26Å; L151-D155 WeakPolarHBondContact O-CA 3.19Å; L151-D155 PolarHBondContact O-N 2.93Å; D155-V157 PolarHBondContact O-N 3.3Å; D155-V157 PolarHBondContact OD1-N 3.25Å; D155-S158 VanDerWaalsContact CG-CB 3.44Å; D155-S158 PolarHBondContact O-N 3.22Å; D155-S158 PolarHBondContact OD1-N 3Å; D155-S158 PolarHBondContact OD1-OG 3.22Å; D155-S158 WeakPolarHBondContact OD2-CB 3.46Å; D155-S158 PolarHBondContact OD2-OG 3.44Å; D155-F159 PolarHBondContact O-N 3.08Å
156P96.3Very high96.5Very high74 Ų7460.3 Ų60.348%0.48132%0.318SS..Hα-helixtrans-61.1-28.4178.7-18.226.6000113.7N152 F159 E160N152-P156 WeakPolarHBondContact O-CG 3.34Å; P156-F159 WeakPolarHBondContact O-CB 3.4Å; P156-E160 PolarHBondContact O-N 3.17Å
157V96.4Very high96.4Very high90 Ų9060.3 Ų60.355%0.54532%0.322SS..Hα-helixtrans-71.3-50.4-178.1177.10000109.4D155 F159 E160 Q161D155-V157 PolarHBondContact O-N 3.3Å; D155-V157 PolarHBondContact OD1-N 3.25Å; V157-F159 VanDerWaalsContact C-N 3.26Å; V157-F159 PolarHBondContact O-N 3.37Å; V157-E160 PolarHBondContact O-N 3.33Å; V157-Q161 WeakPolarHBondContact O-CG 3.42Å; V157-Q161 PolarHBondContact O-N 3.07Å
158S95.6Very high96.2Very high12 Ų1259.1 Ų59.18%0.08431%0.314CS..Hα-helixtrans-62.6-36.1175.1-65.80000111.7L118 D155 Q161 I162L118-S158 WeakPolarHBondContact CD1-OG 3.27Å; D155-S158 VanDerWaalsContact CG-CB 3.44Å; D155-S158 PolarHBondContact O-N 3.22Å; D155-S158 PolarHBondContact OD1-N 3Å; D155-S158 PolarHBondContact OD1-OG 3.22Å; D155-S158 WeakPolarHBondContact OD2-CB 3.46Å; D155-S158 PolarHBondContact OD2-OG 3.44Å; S158-Q161 PolarHBondContact O-N 3.02Å; S158-I162 WeakPolarHBondContact O-CB 3.45Å; S158-I162 WeakPolarHBondContact O-CG1 3.43Å; S158-I162 PolarHBondContact O-N 2.94Å
159F97.3Very high96.1Very high48 Ų4858.6 Ų58.621%0.21131%0.311CS..Hα-helixtrans-56.8-51.1171.3167.8-97.2000112L148 L151 N152 D155 P156 V157 Q161 I162 Q163L148-F159 HydrophobicContact CB-CD2 4.4Å; L148-F159 HydrophobicContact CB-CE2 4.09Å; L148-F159 HydrophobicContact CD2-CD2 4.48Å; L148-F159 VanDerWaalsContact O-CD2 3.32Å; L148-F159 WeakPolarHBondContact O-CD2 3.37Å; L151-F159 HydrophobicContact CD2-CB 4.22Å; L151-F159 HydrophobicContact CG-CB 4.08Å; N152-F159 HydrophobicContact CB-CB 4.07Å; N152-F159 HydrophobicContact CB-CD1 3.97Å; N152-F159 HydrophobicContact CB-CD2 3.69Å; N152-F159 HydrophobicContact CB-CE1 4.33Å; N152-F159 HydrophobicContact CB-CE2 4.04Å; N152-F159 HydrophobicContact CB-CG 3.63Å; N152-F159 HydrophobicContact CB-CZ 4.36Å; N152-F159 WeakPolarHBondContact OD1-CD1 3.36Å; D155-F159 PolarHBondContact O-N 3.08Å; P156-F159 WeakPolarHBondContact O-CB 3.4Å; V157-F159 VanDerWaalsContact C-N 3.26Å; V157-F159 PolarHBondContact O-N 3.37Å; F159-Q161 VanDerWaalsContact C-N 3.33Å; F159-Q161 PolarHBondContact O-N 2.93Å; F159-I162 PolarHBondContact O-N 3.32Å; F159-Q163 HydrophobicContact CD1-CG 4.44Å; F159-Q163 HydrophobicContact CD2-CG 4.46Å; F159-Q163 HydrophobicContact CE1-CG 4.03Å; F159-Q163 HydrophobicContact CE2-CG 4.08Å; F159-Q163 HydrophobicContact CZ-CG 3.83Å; F159-Q163 WeakPolarHBondContact O-CG 3.3Å; F159-Q163 PolarHBondContact O-N 2.93Å
160E96.9Very high95.9Very high122 Ų12256.9 Ų56.957%0.5730%0.299SS*.Hα-helixtrans-61.2-42.8179.1-170.9-176.9172.900111.5P156 V157 I162 Q163 N164P156-E160 PolarHBondContact O-N 3.17Å; V157-E160 PolarHBondContact O-N 3.33Å; E160-I162 VanDerWaalsContact C-N 3.34Å; E160-I162 PolarHBondContact O-N 2.87Å; E160-Q163 PolarHBondContact O-N 3.28Å; E160-N164 WeakPolarHBondContact O-CB 3.44Å; E160-N164 PolarHBondContact O-N 3.4Å; E160-N164 PolarHBondContact O-ND2 3.19Å
161Q95.9Very high95.6Very high51 Ų5158.5 Ų58.524%0.23830%0.304CS..Hα-helixtrans-60-42.1175.6-69.8173.1-9.100112.1C112 F114 V157 S158 F159 N164 T165C112-Q161 HydrophobicContact CB-CG 4.44Å; F114-Q161 HydrophobicContact CE1-CB 3.8Å; F114-Q161 HydrophobicContact CZ-CB 3.82Å; V157-Q161 WeakPolarHBondContact O-CG 3.42Å; V157-Q161 PolarHBondContact O-N 3.07Å; S158-Q161 PolarHBondContact O-N 3.02Å; F159-Q161 VanDerWaalsContact C-N 3.33Å; F159-Q161 PolarHBondContact O-N 2.93Å; Q161-N164 PolarHBondContact O-N 2.92Å; Q161-T165 VanDerWaalsContact O-CB 3.25Å; Q161-T165 WeakPolarHBondContact O-CB 3.4Å; Q161-T165 PolarHBondContact O-N 3.31Å; Q161-T165 PolarHBondContact O-OG1 3.41Å
162I96.3Very high95.2Very high0 Ų057.9 Ų57.90%030%0.301CS..Hα-helixtrans-64-43.3175.4-75.9-172.7000111.3F114 L118 I121 L122 K125 L148 L151 S158 F159 E160 S166F114-I162 HydrophobicContact CE1-CG1 4.28Å; F114-I162 HydrophobicContact CZ-CG1 4.44Å; L118-I162 HydrophobicContact CB-CD1 4.44Å; L118-I162 HydrophobicContact CD2-CD1 4.09Å; I121-I162 HydrophobicContact CB-CD1 3.95Å; I121-I162 HydrophobicContact CG2-CD1 3.71Å; L122-I162 HydrophobicContact CB-CD1 4.31Å; L122-I162 HydrophobicContact CB-CG1 4.22Å; L122-I162 HydrophobicContact CB-CG2 4.44Å; L122-I162 HydrophobicContact CD1-CB 4.39Å; L122-I162 HydrophobicContact CD1-CG2 3.92Å; L122-I162 WeakPolarHBondContact CD1-O 3.46Å; K125-I162 HydrophobicContact CD-CG2 3.84Å; L148-I162 HydrophobicContact CD2-CG2 3.93Å; L151-I162 HydrophobicContact CD2-CD1 3.55Å; L151-I162 HydrophobicContact CD2-CG1 4.44Å; S158-I162 WeakPolarHBondContact O-CB 3.45Å; S158-I162 WeakPolarHBondContact O-CG1 3.43Å; S158-I162 PolarHBondContact O-N 2.94Å; F159-I162 PolarHBondContact O-N 3.32Å; E160-I162 VanDerWaalsContact C-N 3.34Å; E160-I162 PolarHBondContact O-N 2.87Å; I162-S166 VanDerWaalsContact O-CB 3.27Å; I162-S166 WeakPolarHBondContact O-CB 3.43Å; I162-S166 PolarHBondContact O-N 3.06Å
163Q96.3Very high94.8Very high55 Ų5555 Ų5526%0.25729%0.286SS..Hα-helixtrans-60.3-49.1177.7-65.1-59.5-26.600111.2K125 F159 E160 A167K125-Q163 VanDerWaalsContact CE-OE1 3.29Å; F159-Q163 HydrophobicContact CD1-CG 4.44Å; F159-Q163 HydrophobicContact CD2-CG 4.46Å; F159-Q163 HydrophobicContact CE1-CG 4.03Å; F159-Q163 HydrophobicContact CE2-CG 4.08Å; F159-Q163 HydrophobicContact CZ-CG 3.83Å; F159-Q163 WeakPolarHBondContact O-CG 3.3Å; F159-Q163 PolarHBondContact O-N 2.93Å; E160-Q163 PolarHBondContact O-N 3.28Å; Q163-A167 PolarHBondContact O-N 2.84Å
164N95.1Very high94.5Very high85 Ų8553.9 Ų53.946%0.45528%0.282SS..Hα-helixtrans-65.6-45.9-178.5-70.3-26.2000111.7E160 Q161 A167 Q168E160-N164 WeakPolarHBondContact O-CB 3.44Å; E160-N164 PolarHBondContact O-N 3.4Å; E160-N164 PolarHBondContact O-ND2 3.19Å; Q161-N164 PolarHBondContact O-N 2.92Å; N164-A167 PolarHBondContact O-N 3.48Å; N164-Q168 WeakPolarHBondContact O-CG 3.38Å; N164-Q168 PolarHBondContact O-N 3.07Å; N164-Q168 VanDerWaalsContact O-N 3.15Å
165T94.8Very high94Very high2 Ų249.9 Ų49.91%0.01226%0.261CS..Hα-helixtrans-68.1-38.3-178.3-50.50000111.3V105 F109 F114 L122 Q161 A167 Q168 I169V105-T165 HydrophobicContact CG1-CG2 4.5Å; F109-T165 HydrophobicContact CD1-CG2 4.11Å; F109-T165 HydrophobicContact CE1-CG2 3.66Å; F114-T165 HydrophobicContact CE2-CG2 4.23Å; L122-T165 HydrophobicContact CD2-CG2 3.92Å; Q161-T165 VanDerWaalsContact O-CB 3.25Å; Q161-T165 WeakPolarHBondContact O-CB 3.4Å; Q161-T165 PolarHBondContact O-N 3.31Å; Q161-T165 PolarHBondContact O-OG1 3.41Å; T165-A167 VanDerWaalsContact C-N 3.33Å; T165-A167 PolarHBondContact O-N 2.85Å; T165-Q168 WeakPolarHBondContact O-CB 3.39Å; T165-Q168 PolarHBondContact O-N 2.81Å; T165-I169 HydrophobicContact CG2-CD1 3.98Å; T165-I169 HydrophobicContact CG2-CG1 4.45Å; T165-I169 VanDerWaalsContact O-CG1 3.32Å; T165-I169 WeakPolarHBondContact O-CG1 3.36Å; T165-I169 PolarHBondContact O-N 3.19Å
166S95.6Very high93.5Very high0 Ų047.1 Ų47.10%025%0.247CC..Hα-helixtrans-58.8-45.9174.9-171.10000111.5K125 C126 E129 I162 Q168 I169 H170K125-S166 WeakPolarHBondContact CE-OG 3.25Å; C126-S166 PolarHBondContact SG-OG 3.07Å; E129-S166 PolarHBondContact OE2-OG 3.23Å; I162-S166 VanDerWaalsContact O-CB 3.27Å; I162-S166 WeakPolarHBondContact O-CB 3.43Å; I162-S166 PolarHBondContact O-N 3.06Å; S166-Q168 VanDerWaalsContact C-N 3.31Å; S166-Q168 PolarHBondContact O-N 3.23Å; S166-I169 PolarHBondContact O-N 3.38Å; S166-H170 PolarHBondContact O-CD2 3.04Å; S166-H170 PolarHBondContact O-N 3.18Å
167A94.1Very high93Very high59 Ų5945.4 Ų45.449%0.48823%0.231SC..Hα-helixtrans-60.4-41.4178.300000112.1Q163 N164 T165 H170 Q171Q163-A167 PolarHBondContact O-N 2.84Å; N164-A167 PolarHBondContact O-N 3.48Å; T165-A167 VanDerWaalsContact C-N 3.33Å; T165-A167 PolarHBondContact O-N 2.85Å; A167-H170 PolarHBondContact O-N 3.17Å; A167-Q171 WeakPolarHBondContact O-CB 3.48Å; A167-Q171 PolarHBondContact O-N 3.13Å
168Q93.1Very high92.4Very high52 Ų5246.3 Ų46.324%0.24323%0.233CC..Hα-helixtrans-63.5-43.6175.7-69.3174.8-9.400112V105 S108 N164 T165 S166 Q171 G172V105-Q168 HydrophobicContact CG2-CB 4.14Å; S108-Q168 PolarHBondContact OG-OE1 2.97Å; N164-Q168 WeakPolarHBondContact O-CG 3.38Å; N164-Q168 PolarHBondContact O-N 3.07Å; N164-Q168 VanDerWaalsContact O-N 3.15Å; T165-Q168 WeakPolarHBondContact O-CB 3.39Å; T165-Q168 PolarHBondContact O-N 2.81Å; S166-Q168 VanDerWaalsContact C-N 3.31Å; S166-Q168 PolarHBondContact O-N 3.23Å; Q168-Q171 PolarHBondContact O-N 3.09Å; Q168-G172 PolarHBondContact O-N 3.26Å
169I93.8Very high91.8Very high0 Ų046 Ų460%023%0.232CC..Hα-helixtrans-58.8-52.7175.8-69.3159.6000109.7L40 F44 V105 F109 L122 T165 S166 Q171 G172 T173L40-I169 HydrophobicContact CD1-CG2 4.18Å; L40-I169 HydrophobicContact CG-CG2 4.26Å; F44-I169 HydrophobicContact CD2-CD1 3.88Å; F44-I169 HydrophobicContact CE2-CD1 4.01Å; V105-I169 HydrophobicContact CB-CG1 4.46Å; V105-I169 HydrophobicContact CG1-CD1 4.14Å; V105-I169 HydrophobicContact CG1-CG1 3.49Å; V105-I169 VanDerWaalsContact CG1-CG1 3.49Å; V105-I169 HydrophobicContact CG2-CG1 4.09Å; F109-I169 HydrophobicContact CE1-CD1 4.32Å; F109-I169 HydrophobicContact CZ-CD1 4.04Å; L122-I169 HydrophobicContact CD1-CD1 4.37Å; L122-I169 HydrophobicContact CD2-CD1 4.06Å; L122-I169 HydrophobicContact CG-CD1 4.3Å; T165-I169 HydrophobicContact CG2-CD1 3.98Å; T165-I169 HydrophobicContact CG2-CG1 4.45Å; T165-I169 VanDerWaalsContact O-CG1 3.32Å; T165-I169 WeakPolarHBondContact O-CG1 3.36Å; T165-I169 PolarHBondContact O-N 3.19Å; S166-I169 PolarHBondContact O-N 3.38Å; I169-Q171 VanDerWaalsContact C-N 3.34Å; I169-Q171 PolarHBondContact O-N 3.47Å; I169-G172 PolarHBondContact O-N 2.66Å; I169-T173 WeakPolarHBondContact O-CB 3.08Å; I169-T173 PolarHBondContact O-N 3.14Å; I169-T173 PolarHBondContact O-OG1 3.22Å
170H93.3Very high90.9Very high28 Ų2843.8 Ų43.813%0.1322%0.222CC..Hα-helixtrans-62.2-38.1179.9-78.3-69.5000113.8L40 C126 E129 S166 A167 R174L40-H170 WeakPolarHBondContact CD1-CE1 3.36Å; L40-H170 WeakPolarHBondContact CD1-ND1 3.34Å; C126-H170 WeakPolarHBondContact CA-NE2 3.37Å; C126-H170 PolarHBondContact O-CE1 3.08Å; C126-H170 PolarHBondContact O-NE2 2.86Å; E129-H170 WeakPolarHBondContact CB-NE2 3.42Å; E129-H170 IonicContact OE2-CD2 2.73Å; E129-H170 IonicContact OE2-NE2 3.28Å; S166-H170 PolarHBondContact O-CD2 3.04Å; S166-H170 PolarHBondContact O-N 3.18Å; A167-H170 PolarHBondContact O-N 3.17Å; H170-R174 WeakPolarHBondContact O-CG 3.4Å; H170-R174 PolarHBondContact O-N 3.49Å; H170-R174 PolarHBondContact O-NE 3.46Å
171Q91.5Very high89.9Confident106 Ų10640.2 Ų40.250%0.49521%0.21SC..Hα-helixtrans-66.4-47.5175.5-178.4180-0.100111.2A167 Q168 I169 R174 A175A167-Q171 WeakPolarHBondContact O-CB 3.48Å; A167-Q171 PolarHBondContact O-N 3.13Å; Q168-Q171 PolarHBondContact O-N 3.09Å; I169-Q171 VanDerWaalsContact C-N 3.34Å; I169-Q171 PolarHBondContact O-N 3.47Å; Q171-R174 PolarHBondContact O-N 3.43Å; Q171-A175 PolarHBondContact O-N 2.89Å
172G89.1Confident88.6Confident1 Ų140.8 Ų40.81%0.0122%0.22CC..Hα-helixtrans-65.2-42.4-179.400000112.5Q168 I169 R174 A175 F176Q168-G172 PolarHBondContact O-N 3.26Å; I169-G172 PolarHBondContact O-N 2.66Å; G172-R174 VanDerWaalsContact C-N 3.31Å; G172-R174 PolarHBondContact O-N 3.4Å; G172-A175 PolarHBondContact O-N 3.36Å; G172-F176 VanDerWaalsContact O-CB 3.26Å; G172-F176 WeakPolarHBondContact O-CB 3.42Å; G172-F176 PolarHBondContact O-N 3.46Å
173T90.1Very high87.2Confident10 Ų1042 Ų426%0.06123%0.226CC..Hα-helixtrans-59.6-41.2174.9-59.10000111.7L39 L40 V43 I169 F176 K177L39-T173 HydrophobicContact CB-CG2 4.44Å; L39-T173 HydrophobicContact CD2-CG2 4.17Å; L39-T173 HydrophobicContact CG-CG2 4.01Å; L40-T173 HydrophobicContact CB-CG2 4.08Å; V43-T173 WeakPolarHBondContact CG1-OG1 3.18Å; V43-T173 HydrophobicContact CG2-CG2 4.42Å; I169-T173 WeakPolarHBondContact O-CB 3.08Å; I169-T173 PolarHBondContact O-N 3.14Å; I169-T173 PolarHBondContact O-OG1 3.22Å; T173-F176 PolarHBondContact O-N 3.43Å; T173-K177 WeakPolarHBondContact O-CB 3.3Å; T173-K177 PolarHBondContact O-N 3.08Å
174R89.1Confident85.5Confident159 Ų15944.9 Ų44.960%0.624%0.243SC*.Hα-helixtrans-64.3-49.5175.5-76.8179.1-74.2172.3-3.5112H170 Q171 G172 F176 K177 D178H170-R174 WeakPolarHBondContact O-CG 3.4Å; H170-R174 PolarHBondContact O-N 3.49Å; H170-R174 PolarHBondContact O-NE 3.46Å; Q171-R174 PolarHBondContact O-N 3.43Å; G172-R174 VanDerWaalsContact C-N 3.31Å; G172-R174 PolarHBondContact O-N 3.4Å; R174-F176 PolarHBondContact O-N 2.62Å; R174-K177 WeakPolarHBondContact O-CB 3.34Å; R174-K177 PolarHBondContact O-N 3.26Å; R174-D178 VanDerWaalsContact O-CG 3.32Å; R174-D178 PolarHBondContact O-N 2.72Å
175A87.2Confident85Confident36 Ų3642.9 Ų42.930%0.29823%0.232SC..Hα-helixtrans-60.7-34.1177.100000112.4S97 Q171 G172 A179S97-A175 PolarHBondContact OG-O 3.5Å; S97-A175 VanDerWaalsContact OG-O 3.14Å; Q171-A175 PolarHBondContact O-N 2.89Å; G172-A175 PolarHBondContact O-N 3.36Å; A175-A179 WeakPolarHBondContact O-CB 3.47Å; A175-A179 PolarHBondContact O-N 2.9Å
176F85.8Confident84.5Confident0 Ų045 Ų450%024%0.244CC..Hα-helixtrans-69.7-45.5175-179-123.2000112.1L10 L39 V43 I94 F98 L101 G172 T173 R174 D178 A179 I180L10-F176 HydrophobicContact CD2-CE2 3.97Å; L10-F176 HydrophobicContact CD2-CZ 3.91Å; L10-F176 HydrophobicContact CG-CZ 4.42Å; L39-F176 HydrophobicContact CD1-CD1 3.77Å; L39-F176 HydrophobicContact CD1-CE1 3.62Å; L39-F176 HydrophobicContact CD2-CD1 4.41Å; L39-F176 HydrophobicContact CG-CD1 4.29Å; V43-F176 HydrophobicContact CG2-CD1 3.71Å; V43-F176 HydrophobicContact CG2-CE1 4.15Å; I94-F176 HydrophobicContact CG2-CE2 3.97Å; F98-F176 HydrophobicContact CD1-CE2 4.34Å; F98-F176 HydrophobicContact CD2-CD2 4.21Å; F98-F176 AromaticContact CD2-CE2 3.57Å; F98-F176 HydrophobicContact CD2-CE2 3.57Å; F98-F176 HydrophobicContact CD2-CZ 4.28Å; F98-F176 HydrophobicContact CE1-CD2 4.42Å; F98-F176 HydrophobicContact CE1-CE1 4.39Å; F98-F176 AromaticContact CE1-CE2 3.89Å; F98-F176 HydrophobicContact CE1-CE2 3.89Å; F98-F176 AromaticContact CE1-CZ 3.84Å; F98-F176 HydrophobicContact CE1-CZ 3.84Å; F98-F176 HydrophobicContact CE2-CD2 4.07Å; F98-F176 AromaticContact CE2-CE2 3.06Å; F98-F176 HydrophobicContact CE2-CE2 3.06Å; F98-F176 AromaticContact CE2-CZ 3.37Å; F98-F176 HydrophobicContact CE2-CZ 3.37Å; F98-F176 HydrophobicContact CG-CD2 4.48Å; F98-F176 HydrophobicContact CG-CE2 4.18Å; F98-F176 HydrophobicContact CZ-CD2 4.16Å; F98-F176 AromaticContact CZ-CE1 3.95Å; F98-F176 HydrophobicContact CZ-CE1 3.95Å; F98-F176 AromaticContact CZ-CE2 3.23Å; F98-F176 HydrophobicContact CZ-CE2 3.23Å; F98-F176 AromaticContact CZ-CZ 3.06Å; F98-F176 HydrophobicContact CZ-CZ 3.06Å; L101-F176 HydrophobicContact CD1-CB 3.92Å; L101-F176 HydrophobicContact CD1-CG 4.23Å; G172-F176 VanDerWaalsContact O-CB 3.26Å; G172-F176 WeakPolarHBondContact O-CB 3.42Å; G172-F176 PolarHBondContact O-N 3.46Å; T173-F176 PolarHBondContact O-N 3.43Å; R174-F176 PolarHBondContact O-N 2.62Å; F176-D178 VanDerWaalsContact C-N 3.33Å; F176-D178 PolarHBondContact O-N 2.98Å; F176-A179 PolarHBondContact O-N 3.24Å; F176-I180 HydrophobicContact CD1-CD1 3.81Å; F176-I180 HydrophobicContact CD2-CD1 4Å; F176-I180 HydrophobicContact CD2-CG1 4.25Å; F176-I180 HydrophobicContact CE1-CD1 3.3Å; F176-I180 HydrophobicContact CE1-CG1 4.48Å; F176-I180 HydrophobicContact CE2-CD1 3.46Å; F176-I180 VanDerWaalsContact CE2-CD1 3.46Å; F176-I180 HydrophobicContact CE2-CG1 3.81Å; F176-I180 HydrophobicContact CG-CD1 4.14Å; F176-I180 HydrophobicContact CZ-CD1 3.1Å; F176-I180 HydrophobicContact CZ-CG1 3.96Å; F176-I180 WeakPolarHBondContact O-CG1 3.21Å; F176-I180 PolarHBondContact O-N 2.86Å
177K85.9Confident83.8Confident37 Ų3747.5 Ų47.516%0.16126%0.257CS..Hα-helixtrans-56.1-47.8173.7-172.3178.2176.6176.90111.6M30 D36 L39 T173 R174 A179 I180 S181M30-K177 WeakPolarHBondContact O-CE 3.24Å; M30-K177 PolarHBondContact O-NZ 3.16Å; M30-K177 HydrophobicContact SD-CG 4.5Å; D36-K177 WeakPolarHBondContact OD1-CD 3.38Å; D36-K177 WeakPolarHBondContact OD1-CE 3.34Å; D36-K177 IonicContact OD1-NZ 2.63Å; D36-K177 PolarHBondContact OD1-NZ 2.84Å; D36-K177 IonicContact OD2-NZ 3.34Å; D36-K177 PolarHBondContact OD2-NZ 3.16Å; L39-K177 HydrophobicContact CD2-CB 3.55Å; L39-K177 HydrophobicContact CD2-CD 4.35Å; L39-K177 HydrophobicContact CD2-CG 3.9Å; T173-K177 WeakPolarHBondContact O-CB 3.3Å; T173-K177 PolarHBondContact O-N 3.08Å; R174-K177 WeakPolarHBondContact O-CB 3.34Å; R174-K177 PolarHBondContact O-N 3.26Å; K177-A179 VanDerWaalsContact C-N 3.32Å; K177-A179 PolarHBondContact O-N 2.75Å; K177-I180 PolarHBondContact O-N 3.32Å; K177-S181 VanDerWaalsContact O-CB 3.3Å; K177-S181 WeakPolarHBondContact O-CB 3.46Å; K177-S181 PolarHBondContact O-N 3Å; K177-S181 PolarHBondContact O-OG 3.15Å
178D84.5Confident83.2Confident110 Ų11046.8 Ų46.859%0.58824%0.244SC*.Hα-helixtrans-62.3-41.9179.2-67.7-19.4000111R174 F176 S181 S182R174-D178 VanDerWaalsContact O-CG 3.32Å; R174-D178 PolarHBondContact O-N 2.72Å; F176-D178 VanDerWaalsContact C-N 3.33Å; F176-D178 PolarHBondContact O-N 2.98Å; D178-S181 PolarHBondContact O-N 2.73Å; D178-S182 PolarHBondContact O-N 3.13Å; D178-S182 VanDerWaalsContact O-N 3.14Å
179A82.5Confident82.6Confident6 Ų646.5 Ų46.55%0.0524%0.244CC..Hα-helixtrans-64.5-44.8178.200000112.4N93 I94 A175 F176 K177 S182N93-A179 HydrophobicContact CB-CB 4.44Å; I94-A179 HydrophobicContact CG1-CB 3.94Å; A175-A179 WeakPolarHBondContact O-CB 3.47Å; A175-A179 PolarHBondContact O-N 2.9Å; F176-A179 PolarHBondContact O-N 3.24Å; K177-A179 VanDerWaalsContact C-N 3.32Å; K177-A179 PolarHBondContact O-N 2.75Å; A179-S182 PolarHBondContact O-N 3.44Å; A179-S182 PolarHBondContact O-OG 3.1Å
180I77.7Confident81.9Confident1 Ų149.6 Ų49.61%0.00526%0.26CS..Hα-helixtrans-66-42.8176.2-65.9165.2000111.2L10 I11 M30 I94 F176 K177 S182 I183 L184L10-I180 HydrophobicContact CD2-CD1 4.43Å; L10-I180 HydrophobicContact CD2-CG1 4.35Å; I11-I180 HydrophobicContact CD1-CG2 3.62Å; I11-I180 HydrophobicContact CG1-CG2 3.79Å; M30-I180 HydrophobicContact CE-CG2 4.09Å; I94-I180 HydrophobicContact CD1-CG1 4.15Å; F176-I180 HydrophobicContact CD1-CD1 3.81Å; F176-I180 HydrophobicContact CD2-CD1 4Å; F176-I180 HydrophobicContact CD2-CG1 4.25Å; F176-I180 HydrophobicContact CE1-CD1 3.3Å; F176-I180 HydrophobicContact CE1-CG1 4.48Å; F176-I180 HydrophobicContact CE2-CD1 3.46Å; F176-I180 VanDerWaalsContact CE2-CD1 3.46Å; F176-I180 HydrophobicContact CE2-CG1 3.81Å; F176-I180 HydrophobicContact CG-CD1 4.14Å; F176-I180 HydrophobicContact CZ-CD1 3.1Å; F176-I180 HydrophobicContact CZ-CG1 3.96Å; F176-I180 WeakPolarHBondContact O-CG1 3.21Å; F176-I180 PolarHBondContact O-N 2.86Å; K177-I180 PolarHBondContact O-N 3.32Å; I180-S182 PolarHBondContact O-N 3.46Å; I180-S182 VanDerWaalsContact O-N 3.15Å; I180-I183 PolarHBondContact O-N 3.4Å; I180-L184 HydrophobicContact CG2-CD1 4.23Å
181S75.6Confident81.1Confident46 Ų4651.1 Ų51.132%0.32227%0.269SS..Hα-helixtrans-61.6-24.4180-57.50000112.4K177 D178 I183K177-S181 VanDerWaalsContact O-CB 3.3Å; K177-S181 WeakPolarHBondContact O-CB 3.46Å; K177-S181 PolarHBondContact O-N 3Å; K177-S181 PolarHBondContact O-OG 3.15Å; D178-S181 PolarHBondContact O-N 2.73Å; S181-I183 PolarHBondContact O-N 3.34Å
182S69.3Low80.3Confident64 Ų6446.9 Ų46.945%0.44825%0.252SS..THydrogen-bonded Turntrans-70.1-13.4175.578.70000114.7D178 A179 I180D178-S182 PolarHBondContact O-N 3.13Å; D178-S182 VanDerWaalsContact O-N 3.14Å; A179-S182 PolarHBondContact O-N 3.44Å; A179-S182 PolarHBondContact O-OG 3.1Å; I180-S182 PolarHBondContact O-N 3.46Å; I180-S182 VanDerWaalsContact O-N 3.15Å
183I67.9Low79.5Confident25 Ų2550.8 Ų50.813%0.12827%0.272CS..THydrogen-bonded Turntrans-102.3-22.2179.8-52.7-162.1000112.2I4 P90 Y91 I94 I180 S181I4-I183 WeakPolarHBondContact CG2-O 3.48Å; P90-I183 HydrophobicContact CB-CD1 3.65Å; P90-I183 HydrophobicContact CB-CG1 3.49Å; P90-I183 VanDerWaalsContact CB-CG1 3.49Å; Y91-I183 HydrophobicContact CD1-CD1 3.99Å; Y91-I183 HydrophobicContact CE1-CD1 4.13Å; Y91-I183 HydrophobicContact CG-CD1 4.26Å; I94-I183 HydrophobicContact CD1-CD1 3.21Å; I94-I183 HydrophobicContact CD1-CG1 3.96Å; I94-I183 HydrophobicContact CG1-CD1 4.01Å; I180-I183 PolarHBondContact O-N 3.4Å; S181-I183 PolarHBondContact O-N 3.34Å
184L58.8Low78.6Confident115 Ų11554.5 Ų54.560%0.60229%0.291SS*.  trans-80.30177.8-70.1173.5000111.6I11 M30 I180I11-L184 HydrophobicContact CD1-CD1 4.11Å; I11-L184 HydrophobicContact CD1-CD2 3.61Å; I11-L184 HydrophobicContact CD1-CG 3.89Å; M30-L184 HydrophobicContact CG-CD1 3.86Å; I180-L184 HydrophobicContact CG2-CD1 4.23Å

Retrieved 184 of 184 residues in 40.3 ms (Link to these results)

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