A0A2K5UCL9_MACFA Loading...

Origin recognition complex subunit 6

AlphaFold DB , UniProt , Accession A0A2K5UCL9, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene ORC6, Length 252 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
1M58.4Low85.7Confident201 Ų20168.5 Ų68.599%0.9933%0.334SS*.  0-52.30-64.1-155.3-78.600114L5M1-L5 PolarHBondContact O-N 3.38Å
2G67.6Low86.2Confident14 Ų1475.3 Ų75.314%0.14435%0.354CS..Hα-helixtrans-64.8-45.3-176.600000115.7E4 L5 I6G2-E4 PolarHBondContact O-N 3.4Å; G2-L5 PolarHBondContact O-N 3.32Å; G2-I6 PolarHBondContact O-N 3.49Å
3S77.1Confident86.5Confident69 Ų6971.7 Ų71.748%0.48334%0.338SS..Hα-helixtrans-62.1-39.9178.9170.90000112.8L5 I6 G7 E25S3-L5 VanDerWaalsContact C-N 3.34Å; S3-L5 PolarHBondContact O-N 3.49Å; S3-I6 PolarHBondContact O-N 2.92Å; S3-G7 PolarHBondContact O-N 3.32Å; S3-E25 WeakPolarHBondContact CA-OE1 3.43Å; S3-E25 WeakPolarHBondContact CB-OE1 3.47Å; S3-E25 PolarHBondContact OG-OE1 3.21Å
4E87.4Confident86.7Confident115 Ų11571.5 Ų71.554%0.53737%0.365SS..Hα-helixtrans-65-36.7179.4-161-170.1156.500112.8G2 R8G2-E4 PolarHBondContact O-N 3.4Å; E4-R8 VanDerWaalsContact CD-NH1 3.34Å; E4-R8 WeakPolarHBondContact O-CG 3.43Å; E4-R8 PolarHBondContact O-N 2.77Å; E4-R8 IonicContact OE1-CZ 3.64Å; E4-R8 IonicContact OE1-NH1 2.7Å; E4-R8 PolarHBondContact OE1-NH1 3.06Å; E4-R8 IonicContact OE1-NH2 3.91Å
5L91.1Very high86.9Confident26 Ų2667.8 Ų67.814%0.13635%0.346CS..Hα-helixtrans-67.1-44.4175.5-178.762.4000111.5M1 G2 S3 R8 L9 E44 A48M1-L5 PolarHBondContact O-N 3.38Å; G2-L5 PolarHBondContact O-N 3.32Å; S3-L5 VanDerWaalsContact C-N 3.34Å; S3-L5 PolarHBondContact O-N 3.49Å; L5-R8 PolarHBondContact O-N 3.32Å; L5-L9 HydrophobicContact CD1-CD1 3.96Å; L5-L9 HydrophobicContact CD1-CG 4.26Å; L5-L9 HydrophobicContact CG-CD1 3.96Å; L5-L9 WeakPolarHBondContact O-CG 3Å; L5-L9 PolarHBondContact O-N 3.46Å; L5-E44 HydrophobicContact CD2-CB 4.26Å; L5-A48 HydrophobicContact CD2-CB 3.74Å; L5-A48 HydrophobicContact CG-CB 3.97Å
6I93.9Very high86.9Confident0 Ų069.1 Ų69.10%037%0.37CS..Hα-helixtrans-59.6-49.2175.9-68.5-70.9000110.2G2 S3 R8 L9 A10 L21 A24 E25 L28 A48 L52G2-I6 PolarHBondContact O-N 3.49Å; S3-I6 PolarHBondContact O-N 2.92Å; I6-R8 VanDerWaalsContact C-N 3.33Å; I6-R8 PolarHBondContact O-N 3.31Å; I6-L9 PolarHBondContact O-N 3.17Å; I6-A10 WeakPolarHBondContact O-CB 3.22Å; I6-A10 PolarHBondContact O-N 3.37Å; I6-L21 HydrophobicContact CG2-CD2 4.29Å; I6-A24 HydrophobicContact CD1-CB 4.21Å; I6-A24 HydrophobicContact CG2-CB 4.09Å; I6-E25 HydrophobicContact CB-CG 4.1Å; I6-E25 HydrophobicContact CG1-CG 4.12Å; I6-E25 HydrophobicContact CG2-CG 4.01Å; I6-L28 HydrophobicContact CD1-CB 4.43Å; I6-L28 HydrophobicContact CD1-CD2 3.97Å; I6-L28 HydrophobicContact CG1-CD2 3.73Å; I6-A48 HydrophobicContact CD1-CB 3.83Å; I6-L52 HydrophobicContact CD1-CD1 4.35Å; I6-L52 HydrophobicContact CD1-CG 4.11Å; I6-L52 HydrophobicContact CG2-CD2 4.1Å
7G92.7Very high87.2Confident20 Ų2070.3 Ų70.321%0.20637%0.373CS..Hα-helixtrans-63-33.6178.900000114.1S3 R11S3-G7 PolarHBondContact O-N 3.32Å; G7-R11 WeakPolarHBondContact O-CG 3.27Å; G7-R11 PolarHBondContact O-N 3.5Å; G7-R11 PolarHBondContact O-NE 3.2Å; G7-R11 VanDerWaalsContact O-NE 3.1Å
8R93.6Very high87.4Confident113 Ų11371.6 Ų71.643%0.42639%0.386SS..Hα-helixtrans-68.4-46.6172.8-80.4-169.1-70.5-106-4.4112.3E4 L5 I6 R12E4-R8 VanDerWaalsContact CD-NH1 3.34Å; E4-R8 WeakPolarHBondContact O-CG 3.43Å; E4-R8 PolarHBondContact O-N 2.77Å; E4-R8 IonicContact OE1-CZ 3.64Å; E4-R8 IonicContact OE1-NH1 2.7Å; E4-R8 PolarHBondContact OE1-NH1 3.06Å; E4-R8 IonicContact OE1-NH2 3.91Å; L5-R8 PolarHBondContact O-N 3.32Å; I6-R8 VanDerWaalsContact C-N 3.33Å; I6-R8 PolarHBondContact O-N 3.31Å; R8-R12 PolarHBondContact O-N 3.49Å
9L94.4Very high87.6Confident9 Ų972.8 Ų72.85%0.04739%0.392CS..Hα-helixtrans-70.8-38.3-177.8-68.8170.6000111.9L5 I6 R11 R12 L13 T45 A48 V49 L52 L71L5-L9 HydrophobicContact CD1-CD1 3.96Å; L5-L9 HydrophobicContact CD1-CG 4.26Å; L5-L9 HydrophobicContact CG-CD1 3.96Å; L5-L9 WeakPolarHBondContact O-CG 3Å; L5-L9 PolarHBondContact O-N 3.46Å; I6-L9 PolarHBondContact O-N 3.17Å; L9-R11 PolarHBondContact O-N 2.85Å; L9-R12 WeakPolarHBondContact O-CB 3.48Å; L9-R12 PolarHBondContact O-N 3.37Å; L9-L13 WeakPolarHBondContact O-CG 3.47Å; L9-L13 PolarHBondContact O-N 3.42Å; L9-T45 HydrophobicContact CD1-CG2 4.32Å; L9-T45 HydrophobicContact CD2-CG2 4.24Å; L9-A48 HydrophobicContact CD1-CB 3.58Å; L9-V49 HydrophobicContact CD1-CG2 3.9Å; L9-V49 HydrophobicContact CD2-CG2 4.28Å; L9-L52 HydrophobicContact CB-CD1 3.65Å; L9-L71 HydrophobicContact CD2-CD1 4.02Å; L9-L71 HydrophobicContact CD2-CD2 4.02Å; L9-L71 HydrophobicContact CD2-CG 4.05Å
10A93.7Very high87.9Confident1 Ų169.3 Ų69.31%0.00837%0.373CS..Hα-helixtrans-60.2-44.8175.600000112.3I6 R12 L13 G14 L15 L21 L52I6-A10 WeakPolarHBondContact O-CB 3.22Å; I6-A10 PolarHBondContact O-N 3.37Å; A10-R12 VanDerWaalsContact C-N 3.27Å; A10-R12 PolarHBondContact O-N 2.79Å; A10-L13 CarbonylContact O-C 3.54Å; A10-L13 WeakPolarHBondContact O-CA 3.43Å; A10-L13 WeakPolarHBondContact O-CB 3.42Å; A10-L13 PolarHBondContact O-N 3Å; A10-G14 PolarHBondContact O-N 3.38Å; A10-G14 VanDerWaalsContact O-N 3.12Å; A10-L15 CarbonylContact C-O 3.45Å; A10-L15 HydrophobicContact CB-CB 3.97Å; A10-L15 PolarHBondContact O-N 3.09Å; A10-L21 HydrophobicContact CB-CD2 3.23Å; A10-L52 HydrophobicContact CB-CD2 4.07Å
11R93.3Very high88.2Confident185 Ų18567.8 Ų67.870%0.69837%0.365SS*.Hα-helixtrans-57.7-38.5174.6-78.4-177-75.6176.9-5.3112.7G7 L9 L13 G14G7-R11 WeakPolarHBondContact O-CG 3.27Å; G7-R11 PolarHBondContact O-N 3.5Å; G7-R11 PolarHBondContact O-NE 3.2Å; G7-R11 VanDerWaalsContact O-NE 3.1Å; L9-R11 PolarHBondContact O-N 2.85Å; R11-L13 PolarHBondContact O-N 3.26Å; R11-G14 PolarHBondContact O-N 3.22Å
12R91.4Very high89.9Confident150 Ų15067.2 Ų67.257%0.56635%0.352SS*.Hα-helixtrans-67-24.9174.9-69.3-175.963.4179.6-0.2113.4R8 L9 A10R8-R12 PolarHBondContact O-N 3.49Å; L9-R12 WeakPolarHBondContact O-CB 3.48Å; L9-R12 PolarHBondContact O-N 3.37Å; A10-R12 VanDerWaalsContact C-N 3.27Å; A10-R12 PolarHBondContact O-N 2.79Å
13L89.7Confident91.2Very high29 Ų2968.5 Ų68.515%0.15235%0.353CS..THydrogen-bonded Turntrans-92.10.4178-66.5166.2000112.8L9 A10 R11 L15 L52 Y67 L68 L71L9-L13 WeakPolarHBondContact O-CG 3.47Å; L9-L13 PolarHBondContact O-N 3.42Å; A10-L13 CarbonylContact O-C 3.54Å; A10-L13 WeakPolarHBondContact O-CA 3.43Å; A10-L13 WeakPolarHBondContact O-CB 3.42Å; A10-L13 PolarHBondContact O-N 3Å; R11-L13 PolarHBondContact O-N 3.26Å; L13-L15 HydrophobicContact CB-CD1 3.82Å; L13-L15 HydrophobicContact CB-CG 3.84Å; L13-L15 HydrophobicContact CD1-CD1 4Å; L13-L15 PolarHBondContact O-N 2.94Å; L13-L52 HydrophobicContact CD1-CB 4.42Å; L13-L52 HydrophobicContact CD1-CD1 4.1Å; L13-Y67 HydrophobicContact CD2-CD1 3.53Å; L13-Y67 HydrophobicContact CD2-CE1 3.69Å; L13-L68 HydrophobicContact CD1-CD2 3.72Å; L13-L68 HydrophobicContact CD2-CD2 3.63Å; L13-L68 HydrophobicContact CD2-CG 4.36Å; L13-L68 HydrophobicContact CG-CD2 4.35Å; L13-L71 HydrophobicContact CD1-CD2 4.22Å; L13-L71 HydrophobicContact CD2-CD2 4.03Å; L13-L71 HydrophobicContact CG-CD2 4.04Å
14G89.4Confident92.1Very high69 Ų6965.2 Ų65.271%0.71133%0.33SS*.THydrogen-bonded Turntrans70.219.6-173.700000113.6A10 R11A10-G14 PolarHBondContact O-N 3.38Å; A10-G14 VanDerWaalsContact O-N 3.12Å; R11-G14 PolarHBondContact O-N 3.22Å
15L89.4Confident92.5Very high16 Ų1663 Ų638%0.08432%0.32CS..  trans-93.4117.4-179.4-63174.1000109.9A10 L13 M20 L52 L63A10-L15 CarbonylContact C-O 3.45Å; A10-L15 HydrophobicContact CB-CB 3.97Å; A10-L15 PolarHBondContact O-N 3.09Å; L13-L15 HydrophobicContact CB-CD1 3.82Å; L13-L15 HydrophobicContact CB-CG 3.84Å; L13-L15 HydrophobicContact CD1-CD1 4Å; L13-L15 PolarHBondContact O-N 2.94Å; L15-M20 HydrophobicContact CB-SD 4.41Å; L15-M20 HydrophobicContact CD1-SD 3.86Å; L15-M20 HydrophobicContact CD2-CE 4.04Å; L15-M20 HydrophobicContact CD2-SD 3.57Å; L15-M20 VanDerWaalsContact CD2-SD 3.57Å; L15-M20 HydrophobicContact CG-SD 4.15Å; L15-L52 HydrophobicContact CD1-CD2 4.21Å; L15-L63 HydrophobicContact CD1-CD1 4.12Å; L15-L63 HydrophobicContact CD1-CD2 4.38Å; L15-L63 HydrophobicContact CD2-CD2 3.9Å; L15-L63 HydrophobicContact CG-CD2 4.38Å
16A87.1Confident92.7Very high88 Ų8865.3 Ų65.373%0.72733%0.33SS*.  trans-125.3-2.3178.900000113.5
17E91.7Very high92.8Very high90 Ų9065.5 Ų65.542%0.42133%0.331SS..  trans-71119.6-175.3-168.7177.1-165.900111.1D19 M20 L21E17-D19 VanDerWaalsContact C-N 3.34Å; E17-D19 PolarHBondContact O-N 2.87Å; E17-M20 HydrophobicContact CB-CB 4.16Å; E17-M20 PolarHBondContact O-N 3.12Å; E17-L21 WeakPolarHBondContact O-CG 3.31Å; E17-L21 PolarHBondContact O-N 3.31Å; E17-L21 VanDerWaalsContact O-N 3.12Å
18P91.2Very high92.8Very high93 Ų9364.9 Ų64.960%0.60432%0.323SS*.Hα-helixtrans-64.8-36.8-169.424.1-33.5000112.9L21 R22P18-L21 PolarHBondContact O-N 3.29Å; P18-R22 WeakPolarHBondContact O-CB 3Å; P18-R22 PolarHBondContact O-N 2.97Å
19D91.9Very high92.9Very high96 Ų9667.8 Ų67.851%0.51333%0.333SS..Hα-helixtrans-66.6-38.8178.7-71.9-27.5000111.9E17 R22 K23 M59E17-D19 VanDerWaalsContact C-N 3.34Å; E17-D19 PolarHBondContact O-N 2.87Å; D19-R22 PolarHBondContact O-N 3.49Å; D19-K23 WeakPolarHBondContact O-CB 3.42Å; D19-K23 PolarHBondContact O-N 3.14Å; D19-M59 HydrophobicContact CB-CE 3.37Å
20M93.1Very high92.8Very high1 Ų169.4 Ų69.41%0.00534%0.342CS..Hα-helixtrans-64.9-43.2175-171.9-171.2-60.700111.5L15 E17 K23 A24 A55 A56 M59 C61L15-M20 HydrophobicContact CB-SD 4.41Å; L15-M20 HydrophobicContact CD1-SD 3.86Å; L15-M20 HydrophobicContact CD2-CE 4.04Å; L15-M20 HydrophobicContact CD2-SD 3.57Å; L15-M20 VanDerWaalsContact CD2-SD 3.57Å; L15-M20 HydrophobicContact CG-SD 4.15Å; E17-M20 HydrophobicContact CB-CB 4.16Å; E17-M20 PolarHBondContact O-N 3.12Å; M20-K23 PolarHBondContact O-N 2.87Å; M20-A24 WeakPolarHBondContact O-CB 3.42Å; M20-A24 PolarHBondContact O-N 3.43Å; M20-A55 HydrophobicContact CG-CB 3.94Å; M20-A56 HydrophobicContact CE-CB 4.33Å; M20-A56 HydrophobicContact SD-CB 4.02Å; M20-M59 HydrophobicContact CB-CG 4.25Å; M20-M59 HydrophobicContact CE-CB 4.04Å; M20-M59 HydrophobicContact CE-CG 4.21Å; M20-M59 HydrophobicContact CG-CG 4.41Å; M20-C61 HydrophobicContact CE-CB 3.62Å
21L94.1Very high92.8Very high39 Ų3969.6 Ų69.620%0.20434%0.343CS..Hα-helixtrans-62-47.6177.1-63.3-177.5000111.3I6 A10 E17 P18 K23 A24 E25 L52I6-L21 HydrophobicContact CG2-CD2 4.29Å; A10-L21 HydrophobicContact CB-CD2 3.23Å; E17-L21 WeakPolarHBondContact O-CG 3.31Å; E17-L21 PolarHBondContact O-N 3.31Å; E17-L21 VanDerWaalsContact O-N 3.12Å; P18-L21 PolarHBondContact O-N 3.29Å; L21-K23 VanDerWaalsContact C-N 3.25Å; L21-K23 PolarHBondContact O-N 2.89Å; L21-A24 PolarHBondContact O-N 3.19Å; L21-E25 WeakPolarHBondContact O-CG 3.27Å; L21-E25 PolarHBondContact O-N 3.22Å; L21-L52 HydrophobicContact CD2-CD2 4.43Å
22R94.9Very high92.7Very high189 Ų18966.7 Ų66.771%0.71333%0.332SS*.Hα-helixtrans-58.6-40.1176.5-173.4178.3177-178.90.1111.2P18 D19 E25 E26P18-R22 WeakPolarHBondContact O-CB 3Å; P18-R22 PolarHBondContact O-N 2.97Å; D19-R22 PolarHBondContact O-N 3.49Å; R22-E25 PolarHBondContact O-N 3.38Å; R22-E26 PolarHBondContact O-N 3.1Å
23K95.1Very high92.6Very high41 Ų4165.9 Ų65.918%0.17834%0.338CS..Hα-helixtrans-68-41.8177-159.674.1-170158.60112.5D19 M20 L21 E25 E26 Y27 A55 W58D19-K23 WeakPolarHBondContact O-CB 3.42Å; D19-K23 PolarHBondContact O-N 3.14Å; M20-K23 PolarHBondContact O-N 2.87Å; L21-K23 VanDerWaalsContact C-N 3.25Å; L21-K23 PolarHBondContact O-N 2.89Å; K23-E25 VanDerWaalsContact C-N 3.33Å; K23-E25 PolarHBondContact O-N 3.32Å; K23-E26 IonicContact NZ-OE1 2.79Å; K23-E26 PolarHBondContact NZ-OE1 3.09Å; K23-E26 IonicContact NZ-OE2 3.2Å; K23-E26 PolarHBondContact NZ-OE2 3.04Å; K23-E26 WeakPolarHBondContact O-CB 3.39Å; K23-E26 PolarHBondContact O-N 3.25Å; K23-Y27 HydrophobicContact CD-CE1 4.44Å; K23-Y27 WeakPolarHBondContact CE-OH 3.43Å; K23-Y27 HydrophobicContact CG-CD2 4.49Å; K23-Y27 HydrophobicContact CG-CE1 4.24Å; K23-Y27 HydrophobicContact CG-CE2 3.82Å; K23-Y27 PolarHBondContact O-N 3.11Å; K23-A55 HydrophobicContact CB-CB 4.18Å; K23-A55 HydrophobicContact CG-CB 4.48Å; K23-W58 HydrophobicContact CD-CD2 4.5Å; K23-W58 HydrophobicContact CD-CE3 4.29Å; K23-W58 HydrophobicContact CD-CZ3 4.38Å; K23-W58 HydrophobicContact CG-CD2 4.4Å; K23-W58 HydrophobicContact CG-CE3 4.05Å; K23-W58 HydrophobicContact CG-CZ3 4.47Å
24A95.8Very high92.7Very high0 Ų069.8 Ų69.80%035%0.354CS..Hα-helixtrans-64-38.7176.400000112I6 M20 L21 Y27 L28 L52 A55I6-A24 HydrophobicContact CD1-CB 4.21Å; I6-A24 HydrophobicContact CG2-CB 4.09Å; M20-A24 WeakPolarHBondContact O-CB 3.42Å; M20-A24 PolarHBondContact O-N 3.43Å; L21-A24 PolarHBondContact O-N 3.19Å; A24-Y27 PolarHBondContact O-N 3.31Å; A24-L28 WeakPolarHBondContact O-CB 3.4Å; A24-L28 PolarHBondContact O-N 3.09Å; A24-L52 HydrophobicContact CB-CD2 3.71Å; A24-L52 HydrophobicContact CB-CG 4.08Å; A24-A55 HydrophobicContact CB-CB 3.77Å
25E95.4Very high92.7Very high67 Ų6766.8 Ų66.831%0.31332%0.322SS..Hα-helixtrans-64.2-40.7173.8-72.1179177.400112.4S3 I6 L21 R22 K23 L28 R29S3-E25 WeakPolarHBondContact CA-OE1 3.43Å; S3-E25 WeakPolarHBondContact CB-OE1 3.47Å; S3-E25 PolarHBondContact OG-OE1 3.21Å; I6-E25 HydrophobicContact CB-CG 4.1Å; I6-E25 HydrophobicContact CG1-CG 4.12Å; I6-E25 HydrophobicContact CG2-CG 4.01Å; L21-E25 WeakPolarHBondContact O-CG 3.27Å; L21-E25 PolarHBondContact O-N 3.22Å; R22-E25 PolarHBondContact O-N 3.38Å; K23-E25 VanDerWaalsContact C-N 3.33Å; K23-E25 PolarHBondContact O-N 3.32Å; E25-L28 PolarHBondContact O-N 3.1Å; E25-R29 WeakPolarHBondContact O-CB 3.43Å; E25-R29 PolarHBondContact O-N 3.39Å
26E94.8Very high92.6Very high75 Ų7570.3 Ų70.335%0.3534%0.344SS..Hα-helixtrans-58.3-49.7173.6-172.8-165141.900111R22 K23 L28 R29 L30R22-E26 PolarHBondContact O-N 3.1Å; K23-E26 IonicContact NZ-OE1 2.79Å; K23-E26 PolarHBondContact NZ-OE1 3.09Å; K23-E26 IonicContact NZ-OE2 3.2Å; K23-E26 PolarHBondContact NZ-OE2 3.04Å; K23-E26 WeakPolarHBondContact O-CB 3.39Å; K23-E26 PolarHBondContact O-N 3.25Å; E26-L28 VanDerWaalsContact C-N 3.33Å; E26-L28 PolarHBondContact O-N 3.27Å; E26-R29 PolarHBondContact O-N 3.31Å; E26-L30 HydrophobicContact CG-CD1 4.2Å; E26-L30 WeakPolarHBondContact O-CG 3.45Å; E26-L30 PolarHBondContact O-N 2.86Å
27Y95.3Very high92.6Very high5 Ų570 Ų702%0.0235%0.35CS..Hα-helixtrans-62.4-38.9176.7-63.9-21.9000112.4K23 A24 R29 L30 S31 C51 L54 A55 L90 L92K23-Y27 HydrophobicContact CD-CE1 4.44Å; K23-Y27 WeakPolarHBondContact CE-OH 3.43Å; K23-Y27 HydrophobicContact CG-CD2 4.49Å; K23-Y27 HydrophobicContact CG-CE1 4.24Å; K23-Y27 HydrophobicContact CG-CE2 3.82Å; K23-Y27 PolarHBondContact O-N 3.11Å; A24-Y27 PolarHBondContact O-N 3.31Å; Y27-R29 VanDerWaalsContact C-N 3.35Å; Y27-R29 PolarHBondContact O-N 3.41Å; Y27-L30 PolarHBondContact O-N 2.81Å; Y27-S31 VanDerWaalsContact O-CB 3.31Å; Y27-S31 WeakPolarHBondContact O-CB 3.38Å; Y27-S31 PolarHBondContact O-N 3.06Å; Y27-S31 PolarHBondContact O-OG 2.86Å; Y27-S31 VanDerWaalsContact O-OG 3.05Å; Y27-C51 VanDerWaalsContact C-SG 3.59Å; Y27-L54 HydrophobicContact CD2-CB 3.88Å; Y27-L54 HydrophobicContact CE2-CB 3.98Å; Y27-A55 HydrophobicContact CD2-CB 4.29Å; Y27-A55 HydrophobicContact CE2-CB 4.2Å; Y27-L90 HydrophobicContact CG-CD1 4.47Å; Y27-L92 HydrophobicContact CD1-CD1 3.91Å; Y27-L92 HydrophobicContact CD1-CD2 4.33Å; Y27-L92 HydrophobicContact CD2-CD1 4.11Å; Y27-L92 HydrophobicContact CE1-CD1 3.7Å; Y27-L92 HydrophobicContact CE1-CD2 3.5Å; Y27-L92 VanDerWaalsContact CE1-CD2 3.5Å; Y27-L92 HydrophobicContact CE1-CG 4.22Å; Y27-L92 HydrophobicContact CE2-CD1 3.88Å; Y27-L92 HydrophobicContact CG-CD1 4.12Å
28L94.6Very high92.4Very high6 Ų666.9 Ų66.93%0.03134%0.336CS..Hα-helixtrans-65.1-40.2176.2-175.161.7000111.4I6 A24 E25 E26 S31 R32 A48 C51I6-L28 HydrophobicContact CD1-CB 4.43Å; I6-L28 HydrophobicContact CD1-CD2 3.97Å; I6-L28 HydrophobicContact CG1-CD2 3.73Å; A24-L28 WeakPolarHBondContact O-CB 3.4Å; A24-L28 PolarHBondContact O-N 3.09Å; E25-L28 PolarHBondContact O-N 3.1Å; E26-L28 VanDerWaalsContact C-N 3.33Å; E26-L28 PolarHBondContact O-N 3.27Å; L28-S31 WeakPolarHBondContact CA-OG 3.29Å; L28-S31 PolarHBondContact O-OG 3.37Å; L28-R32 WeakPolarHBondContact O-CG 3.35Å; L28-R32 PolarHBondContact O-N 3.37Å; L28-A48 HydrophobicContact CD1-CB 4.43Å; L28-A48 HydrophobicContact CD2-CB 4.35Å; L28-C51 VanDerWaalsContact CA-SG 3.55Å; L28-C51 HydrophobicContact CB-CB 4.32Å; L28-C51 PolarHBondContact N-SG 3.42Å
29R93.8Very high92Very high174 Ų17466.1 Ų66.166%0.65733%0.332SS*.Hα-helixtrans-65.6-44175.4-170178.169125.60.1111.6E25 E26 Y27E25-R29 WeakPolarHBondContact O-CB 3.43Å; E25-R29 PolarHBondContact O-N 3.39Å; E26-R29 PolarHBondContact O-N 3.31Å; Y27-R29 VanDerWaalsContact C-N 3.35Å; Y27-R29 PolarHBondContact O-N 3.41Å
30L93.3Very high91.8Very high43 Ų4366.7 Ų66.723%0.22535%0.35CS..Hα-helixtrans-66.7-39.4178.5-73.3169.9000112.4E26 Y27 R32 L33 K34 L90E26-L30 HydrophobicContact CG-CD1 4.2Å; E26-L30 WeakPolarHBondContact O-CG 3.45Å; E26-L30 PolarHBondContact O-N 2.86Å; Y27-L30 PolarHBondContact O-N 2.81Å; L30-R32 VanDerWaalsContact C-N 3.32Å; L30-R32 PolarHBondContact O-N 3.11Å; L30-L33 PolarHBondContact O-N 3.41Å; L30-K34 PolarHBondContact O-N 3.34Å; L30-L90 HydrophobicContact CB-CD2 3.56Å
31S93.1Very high91.5Very high5 Ų573.9 Ų73.94%0.03538%0.378CS..Hα-helixtrans-66.1-33.9-179.559.50000112.3Y27 L28 L33 K34 C35 F86Y27-S31 VanDerWaalsContact O-CB 3.31Å; Y27-S31 WeakPolarHBondContact O-CB 3.38Å; Y27-S31 PolarHBondContact O-N 3.06Å; Y27-S31 PolarHBondContact O-OG 2.86Å; Y27-S31 VanDerWaalsContact O-OG 3.05Å; L28-S31 WeakPolarHBondContact CA-OG 3.29Å; L28-S31 PolarHBondContact O-OG 3.37Å; S31-L33 PolarHBondContact O-N 3.17Å; S31-L33 VanDerWaalsContact O-N 3.16Å; S31-K34 PolarHBondContact O-N 3.11Å; S31-C35 VanDerWaalsContact O-CA 3.29Å; S31-C35 WeakPolarHBondContact O-CA 3.39Å; S31-C35 WeakPolarHBondContact O-CB 3.31Å; S31-C35 PolarHBondContact O-N 3Å; S31-F86 VanDerWaalsContact CB-CE1 3.43Å
32R90.8Very high91.4Very high125 Ų12572.9 Ų72.947%0.47237%0.373SS..Hα-helixtrans-59.7-26172.3-71168.3179.4-155.3-8.1113.3L28 L30 V36L28-R32 WeakPolarHBondContact O-CG 3.35Å; L28-R32 PolarHBondContact O-N 3.37Å; L30-R32 VanDerWaalsContact C-N 3.32Å; L30-R32 PolarHBondContact O-N 3.11Å; R32-V36 WeakPolarHBondContact O-CG2 3.25Å
33L90.8Very high91.3Very high132 Ų13267.7 Ų67.769%0.69136%0.362SS*.Hα-helixtrans-92.8-44.9177.9-58.9175.7000111.9L30 S31L30-L33 PolarHBondContact O-N 3.41Å; S31-L33 PolarHBondContact O-N 3.17Å; S31-L33 VanDerWaalsContact O-N 3.16Å
34K90.3Very high91.2Very high112 Ų11272.1 Ų72.149%0.48738%0.384SS..Hα-helixtrans-93.8-22.8-171.2-63.1-167.3179-178.60114.4L30 S31 L89L30-K34 PolarHBondContact O-N 3.34Å; S31-K34 PolarHBondContact O-N 3.11Å; K34-L89 WeakPolarHBondContact CD-O 3.28Å
35C89.8Confident91.1Very high6 Ų674.9 Ų74.94%0.04140%0.401CS..  trans-108.318.7-173-55.80000113.3S31 G37 L38 F86 L89S31-C35 VanDerWaalsContact O-CA 3.29Å; S31-C35 WeakPolarHBondContact O-CA 3.39Å; S31-C35 WeakPolarHBondContact O-CB 3.31Å; S31-C35 PolarHBondContact O-N 3Å; C35-G37 PolarHBondContact O-N 3.21Å; C35-G37 VanDerWaalsContact O-N 3.12Å; C35-L38 HydrophobicContact CB-CD1 4.12Å; C35-L38 WeakPolarHBondContact O-CB 3.27Å; C35-L38 PolarHBondContact O-N 2.8Å; C35-F86 HydrophobicContact CB-CE2 4.3Å; C35-F86 HydrophobicContact CB-CZ 4.28Å; C35-L89 HydrophobicContact CB-CD1 4.26Å
36V88.3Confident91.1Very high90 Ų9071.7 Ų71.755%0.54539%0.386SS..G310 helixtrans-53.7-36.1-179.2-177.20000112.1R32 L38 S39R32-V36 WeakPolarHBondContact O-CG2 3.25Å; V36-L38 PolarHBondContact O-N 3.5Å; V36-L38 VanDerWaalsContact O-N 3.13Å; V36-S39 WeakPolarHBondContact O-CB 3.46Å; V36-S39 PolarHBondContact O-N 3.23Å; V36-S39 VanDerWaalsContact O-N 3.17Å; V36-S39 PolarHBondContact O-OG 3.22Å
37G86.6Confident91.1Very high81 Ų8168.8 Ų68.884%0.83537%0.374SS*.G310 helixtrans-65.9-10.717700000115.3C35C35-G37 PolarHBondContact O-N 3.21Å; C35-G37 VanDerWaalsContact O-N 3.12Å
38L86.8Confident91.2Very high25 Ų2568.5 Ų68.513%0.13137%0.373CS..G310 helixtrans-94.2-5.8177.1-58.8179.2000113.1C35 V36 A40 R41 T42 F86 L89C35-L38 HydrophobicContact CB-CD1 4.12Å; C35-L38 WeakPolarHBondContact O-CB 3.27Å; C35-L38 PolarHBondContact O-N 2.8Å; V36-L38 PolarHBondContact O-N 3.5Å; V36-L38 VanDerWaalsContact O-N 3.13Å; L38-A40 PolarHBondContact O-N 2.97Å; L38-R41 WeakPolarHBondContact O-CA 3.4Å; L38-R41 PolarHBondContact O-N 3.11Å; L38-T42 HydrophobicContact CB-CG2 4.45Å; L38-T42 PolarHBondContact O-N 2.94Å; L38-T42 VanDerWaalsContact O-N 3.16Å; L38-T42 PolarHBondContact O-OG1 3.33Å; L38-T42 VanDerWaalsContact O-OG1 3.04Å; L38-F86 HydrophobicContact CD1-CD2 3.6Å; L38-F86 HydrophobicContact CD1-CE2 3.59Å; L38-L89 HydrophobicContact CD1-CD1 4.01Å; L38-L89 HydrophobicContact CG-CD1 4.42Å
39S83.4Confident91.2Very high76 Ų7668.2 Ų68.253%0.53137%0.371SS..THydrogen-bonded Turntrans-55.3-30.6-173.3-54.60000114.3V36 R41V36-S39 WeakPolarHBondContact O-CB 3.46Å; V36-S39 PolarHBondContact O-N 3.23Å; V36-S39 VanDerWaalsContact O-N 3.17Å; V36-S39 PolarHBondContact O-OG 3.22Å; S39-R41 PolarHBondContact O-N 2.98Å
40A86.9Confident91.3Very high108 Ų10860 Ų6089%0.89334%0.34SS*.THydrogen-bonded Turntrans-68.7-17.8175.900000113.8L38L38-A40 PolarHBondContact O-N 2.97Å
41R87.3Confident91.5Very high153 Ų15357.9 Ų57.958%0.57733%0.329SS*.THydrogen-bonded Turntrans-112.7-11.4-176.6-68.9-179.6156.1-161.1-5.3113.4L38 S39L38-R41 WeakPolarHBondContact O-CA 3.4Å; L38-R41 PolarHBondContact O-N 3.11Å; S39-R41 PolarHBondContact O-N 2.98Å
42T92.5Very high91.6Very high18 Ų1857.7 Ų57.711%0.1133%0.328CS..  trans-131.6137-173.156.60000111L38 S46 M50 C82 F86L38-T42 HydrophobicContact CB-CG2 4.45Å; L38-T42 PolarHBondContact O-N 2.94Å; L38-T42 VanDerWaalsContact O-N 3.16Å; L38-T42 PolarHBondContact O-OG1 3.33Å; L38-T42 VanDerWaalsContact O-OG1 3.04Å; T42-S46 WeakPolarHBondContact CA-OG 3.45Å; T42-S46 WeakPolarHBondContact CB-OG 3.44Å; T42-M50 HydrophobicContact CG2-CE 4.42Å; T42-C82 HydrophobicContact CG2-CB 4.11Å; T42-F86 HydrophobicContact CG2-CE2 4.16Å
43T93.4Very high91.8Very high79 Ų7952 Ų5249%0.48531%0.306SS..  trans-91.6169.9169.962.40000110.7T45 S46 S47T43-T45 VanDerWaalsContact C-N 3.26Å; T43-T45 PolarHBondContact O-N 3.36Å; T43-S46 PolarHBondContact N-OG 2.9Å; T43-S46 PolarHBondContact O-N 3.16Å; T43-S46 PolarHBondContact O-OG 3.35Å; T43-S46 VanDerWaalsContact O-OG 3.07Å; T43-S46 PolarHBondContact OG1-N 3.34Å; T43-S46 PolarHBondContact OG1-OG 2.91Å; T43-S47 WeakPolarHBondContact O-CB 3.47Å; T43-S47 PolarHBondContact O-N 3.17Å; T43-S47 PolarHBondContact O-OG 2.81Å
44E91.9Very high92Very high134 Ų13446.1 Ų46.163%0.62628%0.276SS*.Hα-helixtrans-58.1-42.5172.1-62.5-165.2156.100111.5L5 S47 A48L5-E44 HydrophobicContact CD2-CB 4.26Å; E44-S47 PolarHBondContact O-N 3.05Å; E44-A48 WeakPolarHBondContact O-CB 3.43Å; E44-A48 PolarHBondContact O-N 3.45Å
45T94.3Very high92.2Very high58 Ų5840.8 Ų40.836%0.35625%0.252SS..Hα-helixtrans-62.1-49.7175.9-52.20000111.3L9 T43 S47 A48 V49L9-T45 HydrophobicContact CD1-CG2 4.32Å; L9-T45 HydrophobicContact CD2-CG2 4.24Å; T43-T45 VanDerWaalsContact C-N 3.26Å; T43-T45 PolarHBondContact O-N 3.36Å; T45-S47 VanDerWaalsContact C-N 3.28Å; T45-S47 PolarHBondContact O-N 2.86Å; T45-A48 PolarHBondContact O-N 2.92Å; T45-V49 WeakPolarHBondContact O-CG2 3.49Å; T45-V49 PolarHBondContact O-N 3.33Å
46S95.1Very high92.3Very high0 Ų040.5 Ų40.50%025%0.251CS..Hα-helixtrans-63.8-37.2-179.271.60000111.9T42 T43 V49 M50 S72T42-S46 WeakPolarHBondContact CA-OG 3.45Å; T42-S46 WeakPolarHBondContact CB-OG 3.44Å; T43-S46 PolarHBondContact N-OG 2.9Å; T43-S46 PolarHBondContact O-N 3.16Å; T43-S46 PolarHBondContact O-OG 3.35Å; T43-S46 VanDerWaalsContact O-OG 3.07Å; T43-S46 PolarHBondContact OG1-N 3.34Å; T43-S46 PolarHBondContact OG1-OG 2.91Å; S46-V49 PolarHBondContact O-N 3.34Å; S46-M50 VanDerWaalsContact O-CG 3.3Å; S46-M50 WeakPolarHBondContact O-CG 3.31Å; S46-M50 PolarHBondContact O-N 3.32Å; S46-S72 WeakPolarHBondContact CB-O 3.46Å
47S95.5Very high92.5Very high14 Ų1439 Ų3910%0.09825%0.245CC..Hα-helixtrans-65.8-43177.2-550000111.3T43 E44 T45 M50 C51T43-S47 WeakPolarHBondContact O-CB 3.47Å; T43-S47 PolarHBondContact O-N 3.17Å; T43-S47 PolarHBondContact O-OG 2.81Å; E44-S47 PolarHBondContact O-N 3.05Å; T45-S47 VanDerWaalsContact C-N 3.28Å; T45-S47 PolarHBondContact O-N 2.86Å; S47-M50 PolarHBondContact O-N 3.46Å; S47-C51 PolarHBondContact O-N 2.69Å; S47-C51 PolarHBondContact O-SG 3.37Å
48A95.8Very high92.6Very high0 Ų042.2 Ų42.20%023%0.231CC..Hα-helixtrans-63.5-42175.400000112.2L5 I6 L9 L28 E44 T45 C51 L52L5-A48 HydrophobicContact CD2-CB 3.74Å; L5-A48 HydrophobicContact CG-CB 3.97Å; I6-A48 HydrophobicContact CD1-CB 3.83Å; L9-A48 HydrophobicContact CD1-CB 3.58Å; L28-A48 HydrophobicContact CD1-CB 4.43Å; L28-A48 HydrophobicContact CD2-CB 4.35Å; E44-A48 WeakPolarHBondContact O-CB 3.43Å; E44-A48 PolarHBondContact O-N 3.45Å; T45-A48 PolarHBondContact O-N 2.92Å; A48-C51 PolarHBondContact O-N 3.43Å; A48-L52 PolarHBondContact O-N 3.43Å
49V96.6Very high92.7Very high0 Ų043.5 Ų43.50%024%0.237CC..Hα-helixtrans-62.6-43174.5174.90000111.6L9 T45 S46 L52 D53 L68 L71 Y79L9-V49 HydrophobicContact CD1-CG2 3.9Å; L9-V49 HydrophobicContact CD2-CG2 4.28Å; T45-V49 WeakPolarHBondContact O-CG2 3.49Å; T45-V49 PolarHBondContact O-N 3.33Å; S46-V49 PolarHBondContact O-N 3.34Å; V49-L52 PolarHBondContact O-N 3.43Å; V49-D53 PolarHBondContact O-N 3.45Å; V49-L68 HydrophobicContact CG1-CB 4.17Å; V49-L68 HydrophobicContact CG1-CD2 3.75Å; V49-L68 WeakPolarHBondContact CG1-O 3.33Å; V49-L71 HydrophobicContact CG2-CB 4.34Å; V49-L71 HydrophobicContact CG2-CD2 3.95Å; V49-L71 HydrophobicContact CG2-CG 3.81Å; V49-Y79 HydrophobicContact CG1-CE2 4.3Å
50M95.8Very high92.9Very high0 Ų049 Ų490%025%0.252CS..Hα-helixtrans-63.5-41175.4-72.1172.7-169.800111.8T42 S46 S47 L52 D53 L54 L74 Y79 C82 L83 F86T42-M50 HydrophobicContact CG2-CE 4.42Å; S46-M50 VanDerWaalsContact O-CG 3.3Å; S46-M50 WeakPolarHBondContact O-CG 3.31Å; S46-M50 PolarHBondContact O-N 3.32Å; S47-M50 PolarHBondContact O-N 3.46Å; M50-L52 VanDerWaalsContact C-N 3.29Å; M50-L52 PolarHBondContact O-N 3.25Å; M50-D53 PolarHBondContact O-N 2.87Å; M50-L54 WeakPolarHBondContact O-CG 3.32Å; M50-L54 PolarHBondContact O-N 3.22Å; M50-L74 HydrophobicContact CE-CD1 3.3Å; M50-Y79 HydrophobicContact CE-CD2 3.81Å; M50-Y79 HydrophobicContact CE-CE2 4.13Å; M50-Y79 HydrophobicContact CE-CG 4.43Å; M50-Y79 HydrophobicContact CG-CD2 4.5Å; M50-Y79 HydrophobicContact CG-CE2 3.91Å; M50-C82 HydrophobicContact CE-CB 3.39Å; M50-C82 HydrophobicContact SD-CB 3.83Å; M50-L83 HydrophobicContact CB-CD1 3.86Å; M50-L83 HydrophobicContact CG-CD1 3.99Å; M50-F86 HydrophobicContact CB-CD1 4.44Å; M50-F86 HydrophobicContact SD-CD2 4.01Å; M50-F86 HydrophobicContact SD-CE2 3.95Å; M50-F86 HydrophobicContact SD-CG 4.44Å; M50-F86 HydrophobicContact SD-CZ 4.33Å
51C95.8Very high92.9Very high0 Ų045.9 Ų45.90%022%0.223CC..Hα-helixtrans-64.2-35.5177.1-65.80000112.1Y27 L28 S47 A48 A55Y27-C51 VanDerWaalsContact C-SG 3.59Å; L28-C51 VanDerWaalsContact CA-SG 3.55Å; L28-C51 HydrophobicContact CB-CB 4.32Å; L28-C51 PolarHBondContact N-SG 3.42Å; S47-C51 PolarHBondContact O-N 2.69Å; S47-C51 PolarHBondContact O-SG 3.37Å; A48-C51 PolarHBondContact O-N 3.43Å; C51-A55 WeakPolarHBondContact O-CB 3.44Å; C51-A55 PolarHBondContact O-N 3.23Å
52L95.7Very high92.9Very high0 Ų044.3 Ų44.30%023%0.233CC..Hα-helixtrans-66.6-43.2172-78.5163.8000112.3I6 L9 A10 L13 L15 L21 A24 A48 V49 M50 L54 A55 A56I6-L52 HydrophobicContact CD1-CD1 4.35Å; I6-L52 HydrophobicContact CD1-CG 4.11Å; I6-L52 HydrophobicContact CG2-CD2 4.1Å; L9-L52 HydrophobicContact CB-CD1 3.65Å; A10-L52 HydrophobicContact CB-CD2 4.07Å; L13-L52 HydrophobicContact CD1-CB 4.42Å; L13-L52 HydrophobicContact CD1-CD1 4.1Å; L15-L52 HydrophobicContact CD1-CD2 4.21Å; L21-L52 HydrophobicContact CD2-CD2 4.43Å; A24-L52 HydrophobicContact CB-CD2 3.71Å; A24-L52 HydrophobicContact CB-CG 4.08Å; A48-L52 PolarHBondContact O-N 3.43Å; V49-L52 PolarHBondContact O-N 3.43Å; M50-L52 VanDerWaalsContact C-N 3.29Å; M50-L52 PolarHBondContact O-N 3.25Å; L52-L54 VanDerWaalsContact C-N 3.33Å; L52-L54 PolarHBondContact O-N 2.99Å; L52-A55 PolarHBondContact O-N 3.05Å; L52-A56 WeakPolarHBondContact O-CB 3Å; L52-A56 PolarHBondContact O-N 3.16Å
53D95.2Very high92.8Very high5 Ų545.3 Ų45.33%0.02724%0.237CC..Hα-helixtrans-59.1-44.4174.7-1713.5000111.3V49 M50 A56 S57 L68 Y79 L83V49-D53 PolarHBondContact O-N 3.45Å; M50-D53 PolarHBondContact O-N 2.87Å; D53-A56 PolarHBondContact O-N 3.1Å; D53-S57 WeakPolarHBondContact O-CB 3.34Å; D53-S57 PolarHBondContact O-N 3.23Å; D53-S57 PolarHBondContact O-OG 3.48Å; D53-L68 HydrophobicContact CB-CD1 4Å; D53-Y79 PolarHBondContact OD2-OH 2.89Å; D53-Y79 VanDerWaalsContact OD2-OH 3.05Å; D53-L83 HydrophobicContact CB-CD1 4.25Å; D53-L83 VanDerWaalsContact OD2-CD2 3.27Å; D53-L83 WeakPolarHBondContact OD2-CD2 3.14Å
54L94.3Very high92.8Very high9 Ų946.5 Ų46.55%0.04724%0.24CC..Hα-helixtrans-65.7-39.7177.2-66.3169.5000112.7Y27 M50 L52 S57 W58 L83 F86 E87 L90 L92Y27-L54 HydrophobicContact CD2-CB 3.88Å; Y27-L54 HydrophobicContact CE2-CB 3.98Å; M50-L54 WeakPolarHBondContact O-CG 3.32Å; M50-L54 PolarHBondContact O-N 3.22Å; L52-L54 VanDerWaalsContact C-N 3.33Å; L52-L54 PolarHBondContact O-N 2.99Å; L54-S57 PolarHBondContact O-N 2.98Å; L54-W58 PolarHBondContact O-N 3.46Å; L54-L83 HydrophobicContact CD1-CD1 4.29Å; L54-L83 HydrophobicContact CD2-CD1 3.94Å; L54-L83 HydrophobicContact CD2-CG 4.47Å; L54-L83 HydrophobicContact CG-CD1 3.84Å; L54-F86 HydrophobicContact CD1-CB 3.91Å; L54-E87 HydrophobicContact CD2-CG 3.36Å; L54-L90 HydrophobicContact CD1-CD1 4.22Å; L54-L92 HydrophobicContact CB-CD1 4.23Å; L54-L92 HydrophobicContact CD1-CD1 4.04Å; L54-L92 HydrophobicContact CG-CD1 4.49Å
55A94.7Very high92.7Very high0 Ų047.3 Ų47.30%024%0.238CC..Hα-helixtrans-67.6-42.6176.500000112M20 K23 A24 Y27 C51 L52 S57 W58 M59M20-A55 HydrophobicContact CG-CB 3.94Å; K23-A55 HydrophobicContact CB-CB 4.18Å; K23-A55 HydrophobicContact CG-CB 4.48Å; A24-A55 HydrophobicContact CB-CB 3.77Å; Y27-A55 HydrophobicContact CD2-CB 4.29Å; Y27-A55 HydrophobicContact CE2-CB 4.2Å; C51-A55 WeakPolarHBondContact O-CB 3.44Å; C51-A55 PolarHBondContact O-N 3.23Å; L52-A55 PolarHBondContact O-N 3.05Å; A55-S57 VanDerWaalsContact C-N 3.33Å; A55-S57 PolarHBondContact O-N 3.37Å; A55-W58 WeakPolarHBondContact O-CB 3.41Å; A55-W58 PolarHBondContact O-N 3.49Å; A55-M59 PolarHBondContact O-N 2.98Å
56A93.4Very high92.7Very high1 Ų147.1 Ų47.11%0.00824%0.242CC..Hα-helixtrans-63-41.4174.700000111.5M20 L52 D53 W58 M59 K60 C61 L63M20-A56 HydrophobicContact CE-CB 4.33Å; M20-A56 HydrophobicContact SD-CB 4.02Å; L52-A56 WeakPolarHBondContact O-CB 3Å; L52-A56 PolarHBondContact O-N 3.16Å; D53-A56 PolarHBondContact O-N 3.1Å; A56-W58 VanDerWaalsContact C-N 3.32Å; A56-W58 PolarHBondContact O-N 3.06Å; A56-M59 CarbonylContact O-C 3.51Å; A56-M59 PolarHBondContact O-N 2.92Å; A56-K60 PolarHBondContact O-N 2.97Å; A56-C61 HydrophobicContact CB-CB 4.24Å; A56-C61 PolarHBondContact O-N 3.35Å; A56-L63 HydrophobicContact CB-CD1 3.34Å; A56-L63 HydrophobicContact CB-CG 3.8Å
57S90.8Very high92.8Very high59 Ų5951.1 Ų51.141%0.41326%0.258SS..Hα-helixtrans-60.4-39.8174-64.80000112.2D53 L54 A55 K60D53-S57 WeakPolarHBondContact O-CB 3.34Å; D53-S57 PolarHBondContact O-N 3.23Å; D53-S57 PolarHBondContact O-OG 3.48Å; L54-S57 PolarHBondContact O-N 2.98Å; A55-S57 VanDerWaalsContact C-N 3.33Å; A55-S57 PolarHBondContact O-N 3.37Å; S57-K60 PolarHBondContact O-N 3.37Å; S57-K60 VanDerWaalsContact O-N 3.15Å
58W89.2Confident92.8Very high147 Ų14750.4 Ų50.456%0.55725%0.253SS*.Hα-helixtrans-64.1-39.6175.1-178.677.9000112.4K23 L54 A55 A56 K60K23-W58 HydrophobicContact CD-CD2 4.5Å; K23-W58 HydrophobicContact CD-CE3 4.29Å; K23-W58 HydrophobicContact CD-CZ3 4.38Å; K23-W58 HydrophobicContact CG-CD2 4.4Å; K23-W58 HydrophobicContact CG-CE3 4.05Å; K23-W58 HydrophobicContact CG-CZ3 4.47Å; L54-W58 PolarHBondContact O-N 3.46Å; A55-W58 WeakPolarHBondContact O-CB 3.41Å; A55-W58 PolarHBondContact O-N 3.49Å; A56-W58 VanDerWaalsContact C-N 3.32Å; A56-W58 PolarHBondContact O-N 3.06Å; W58-K60 PolarHBondContact O-N 3.04Å
59M88.9Confident92.8Very high52 Ų5251.5 Ų51.526%0.25626%0.259SS..THydrogen-bonded Turntrans-78.7-0.1173.9-70.1-60.8-136.800114.1D19 M20 A55 A56 C61D19-M59 HydrophobicContact CB-CE 3.37Å; M20-M59 HydrophobicContact CB-CG 4.25Å; M20-M59 HydrophobicContact CE-CB 4.04Å; M20-M59 HydrophobicContact CE-CG 4.21Å; M20-M59 HydrophobicContact CG-CG 4.41Å; A55-M59 PolarHBondContact O-N 2.98Å; A56-M59 CarbonylContact O-C 3.51Å; A56-M59 PolarHBondContact O-N 2.92Å; M59-C61 HydrophobicContact CB-CB 4.43Å; M59-C61 PolarHBondContact O-N 3.34Å
60K87.9Confident92.7Very high191 Ų19159.4 Ų59.483%0.8329%0.293SS*.THydrogen-bonded Turntrans55.130.8-172.4-54.1178179.6174.10113.1A56 S57 W58 P62A56-K60 PolarHBondContact O-N 2.97Å; S57-K60 PolarHBondContact O-N 3.37Å; S57-K60 VanDerWaalsContact O-N 3.15Å; W58-K60 PolarHBondContact O-N 3.04Å; K60-P62 WeakPolarHBondContact O-CD 3.33Å
61C87Confident92.7Very high43 Ų4360.2 Ų60.229%0.29130%0.297SS..  trans-87.4116.9175.3-176.20000109.5M20 A56 M59 L63M20-C61 HydrophobicContact CE-CB 3.62Å; A56-C61 HydrophobicContact CB-CB 4.24Å; A56-C61 PolarHBondContact O-N 3.35Å; M59-C61 HydrophobicContact CB-CB 4.43Å; M59-C61 PolarHBondContact O-N 3.34Å; C61-L63 PolarHBondContact O-N 2.87Å
62P87.4Confident92.6Very high120 Ų12060.5 Ų60.578%0.77930%0.299SS*.  trans-72.5130179.829.4-33.2000110.6K60K60-P62 WeakPolarHBondContact O-CD 3.33Å
63L90.4Very high92.6Very high39 Ų3963.7 Ų63.720%0.20433%0.332CS..  trans-121.2150.6175-65.9-177.9000111.6L15 A56 C61 R65 L68L15-L63 HydrophobicContact CD1-CD1 4.12Å; L15-L63 HydrophobicContact CD1-CD2 4.38Å; L15-L63 HydrophobicContact CD2-CD2 3.9Å; L15-L63 HydrophobicContact CG-CD2 4.38Å; A56-L63 HydrophobicContact CB-CD1 3.34Å; A56-L63 HydrophobicContact CB-CG 3.8Å; C61-L63 PolarHBondContact O-N 2.87Å; L63-R65 PolarHBondContact O-N 3.31Å; L63-L68 HydrophobicContact CB-CD1 3.83Å; L63-L68 HydrophobicContact CD1-CD1 4.08Å; L63-L68 HydrophobicContact CD1-CD2 4.42Å
64D92.4Very high92.6Very high104 Ų10465 Ų6556%0.55634%0.339SS*.  trans-70.6101170.8179.211.9000110.6A66 Y67 L68D64-A66 PolarHBondContact O-N 2.92Å; D64-A66 WeakPolarHBondContact OD1-CB 3.45Å; D64-A66 PolarHBondContact OD1-N 3.48Å; D64-Y67 PolarHBondContact O-N 3.46Å; D64-Y67 WeakPolarHBondContact OD2-CB 3.46Å; D64-Y67 PolarHBondContact OD2-N 3.07Å; D64-L68 WeakPolarHBondContact O-CG 3.43Å; D64-L68 PolarHBondContact O-N 3.02Å
65R91.5Very high92.6Very high151 Ų15169.2 Ų69.257%0.5736%0.361SS*.Hα-helixtrans-59.4-32.9176.3-71.6-177.2171.1167.9-1.6113L63 Y67 L68 I69L63-R65 PolarHBondContact O-N 3.31Å; R65-Y67 VanDerWaalsContact C-N 3.34Å; R65-L68 PolarHBondContact O-N 2.92Å; R65-I69 VanDerWaalsContact O-CD1 3.32Å; R65-I69 WeakPolarHBondContact O-CD1 3.18Å; R65-I69 WeakPolarHBondContact O-CG1 3.21Å; R65-I69 PolarHBondContact O-N 2.79Å
66A94.4Very high92.6Very high54 Ų5475.8 Ų75.845%0.44639%0.39SS..Hα-helixtrans-67.2-40.2178.600000110.8D64 K70D64-A66 PolarHBondContact O-N 2.92Å; D64-A66 WeakPolarHBondContact OD1-CB 3.45Å; D64-A66 PolarHBondContact OD1-N 3.48Å; A66-K70 WeakPolarHBondContact O-CG 3.43Å; A66-K70 PolarHBondContact O-N 3.41Å
67Y95.6Very high92.6Very high84 Ų8484.3 Ų84.333%0.32943%0.427SS..Hα-helixtrans-66.6-42.8173.9-172-106.7000112.5L13 D64 R65 I69 K70 L71L13-Y67 HydrophobicContact CD2-CD1 3.53Å; L13-Y67 HydrophobicContact CD2-CE1 3.69Å; D64-Y67 PolarHBondContact O-N 3.46Å; D64-Y67 WeakPolarHBondContact OD2-CB 3.46Å; D64-Y67 PolarHBondContact OD2-N 3.07Å; R65-Y67 VanDerWaalsContact C-N 3.34Å; Y67-I69 VanDerWaalsContact C-N 3.35Å; Y67-I69 PolarHBondContact O-N 3.18Å; Y67-K70 WeakPolarHBondContact O-CB 3.26Å; Y67-K70 PolarHBondContact O-N 3.14Å; Y67-L71 HydrophobicContact CE1-CD2 4.35Å; Y67-L71 WeakPolarHBondContact O-CB 3.33Å; Y67-L71 PolarHBondContact O-N 3.15Å
68L95.1Very high92.8Very high0 Ų083.3 Ų83.30%042%0.418CS..Hα-helixtrans-58.4-44.4175.6-71.3168.5000112.4L13 V49 D53 L63 D64 R65 K70 L71 S72L13-L68 HydrophobicContact CD1-CD2 3.72Å; L13-L68 HydrophobicContact CD2-CD2 3.63Å; L13-L68 HydrophobicContact CD2-CG 4.36Å; L13-L68 HydrophobicContact CG-CD2 4.35Å; V49-L68 HydrophobicContact CG1-CB 4.17Å; V49-L68 HydrophobicContact CG1-CD2 3.75Å; V49-L68 WeakPolarHBondContact CG1-O 3.33Å; D53-L68 HydrophobicContact CB-CD1 4Å; L63-L68 HydrophobicContact CB-CD1 3.83Å; L63-L68 HydrophobicContact CD1-CD1 4.08Å; L63-L68 HydrophobicContact CD1-CD2 4.42Å; D64-L68 WeakPolarHBondContact O-CG 3.43Å; D64-L68 PolarHBondContact O-N 3.02Å; R65-L68 PolarHBondContact O-N 2.92Å; L68-K70 VanDerWaalsContact C-N 3.34Å; L68-K70 PolarHBondContact O-N 2.95Å; L68-L71 PolarHBondContact O-N 2.89Å; L68-S72 WeakPolarHBondContact O-CB 3.14Å; L68-S72 PolarHBondContact O-N 3.34Å; L68-S72 PolarHBondContact O-OG 3.39Å
69I96.1Very high93.1Very high23 Ų2376.5 Ų76.512%0.11839%0.393CS..Hα-helixtrans-59.5-46.8176.6-68.8162.2000110.1R65 Y67 L71 S72 G73 L74 K76 Y79R65-I69 VanDerWaalsContact O-CD1 3.32Å; R65-I69 WeakPolarHBondContact O-CD1 3.18Å; R65-I69 WeakPolarHBondContact O-CG1 3.21Å; R65-I69 PolarHBondContact O-N 2.79Å; Y67-I69 VanDerWaalsContact C-N 3.35Å; Y67-I69 PolarHBondContact O-N 3.18Å; I69-L71 PolarHBondContact O-N 3.38Å; I69-S72 PolarHBondContact O-N 3.35Å; I69-S72 PolarHBondContact O-OG 2.97Å; I69-G73 PolarHBondContact O-N 2.56Å; I69-L74 WeakPolarHBondContact CG2-O 3.5Å; I69-K76 HydrophobicContact CD1-CB 4.29Å; I69-K76 HydrophobicContact CD1-CG 4Å; I69-Y79 HydrophobicContact CB-CG 4.47Å; I69-Y79 HydrophobicContact CD1-CD1 4.31Å; I69-Y79 HydrophobicContact CG1-CD1 3.54Å; I69-Y79 HydrophobicContact CG1-CD2 4.21Å; I69-Y79 HydrophobicContact CG1-CE1 4.03Å; I69-Y79 HydrophobicContact CG1-CG 3.63Å
70K95.5Very high93.3Very high166 Ų16678.9 Ų78.972%0.72240%0.403SS*.Hα-helixtrans-61.4-44.7176.2-71.2176.4-177178.90111.9A66 Y67 L68 S72 G73A66-K70 WeakPolarHBondContact O-CG 3.43Å; A66-K70 PolarHBondContact O-N 3.41Å; Y67-K70 WeakPolarHBondContact O-CB 3.26Å; Y67-K70 PolarHBondContact O-N 3.14Å; L68-K70 VanDerWaalsContact C-N 3.34Å; L68-K70 PolarHBondContact O-N 2.95Å; K70-S72 VanDerWaalsContact C-N 3.28Å; K70-S72 PolarHBondContact O-N 3.46Å; K70-G73 PolarHBondContact O-N 3.43Å; K70-G73 VanDerWaalsContact O-N 3.09Å
71L94.7Very high93.4Very high17 Ų1772.4 Ų72.49%0.08938%0.382CS..Hα-helixtrans-64.2-33.5-179.3-173.361.9000112.4L9 L13 V49 Y67 L68 I69 G73L9-L71 HydrophobicContact CD2-CD1 4.02Å; L9-L71 HydrophobicContact CD2-CD2 4.02Å; L9-L71 HydrophobicContact CD2-CG 4.05Å; L13-L71 HydrophobicContact CD1-CD2 4.22Å; L13-L71 HydrophobicContact CD2-CD2 4.03Å; L13-L71 HydrophobicContact CG-CD2 4.04Å; V49-L71 HydrophobicContact CG2-CB 4.34Å; V49-L71 HydrophobicContact CG2-CD2 3.95Å; V49-L71 HydrophobicContact CG2-CG 3.81Å; Y67-L71 HydrophobicContact CE1-CD2 4.35Å; Y67-L71 WeakPolarHBondContact O-CB 3.33Å; Y67-L71 PolarHBondContact O-N 3.15Å; L68-L71 PolarHBondContact O-N 2.89Å; I69-L71 PolarHBondContact O-N 3.38Å; L71-G73 VanDerWaalsContact C-N 3.28Å; L71-G73 PolarHBondContact O-N 3.02Å
72S94.5Very high93.7Very high5 Ų570.4 Ų70.44%0.03537%0.368CS..Hα-helixtrans-73.4-16.6175.373.70000114.2S46 L68 I69 K70 L74 Y79S46-S72 WeakPolarHBondContact CB-O 3.46Å; L68-S72 WeakPolarHBondContact O-CB 3.14Å; L68-S72 PolarHBondContact O-N 3.34Å; L68-S72 PolarHBondContact O-OG 3.39Å; I69-S72 PolarHBondContact O-N 3.35Å; I69-S72 PolarHBondContact O-OG 2.97Å; K70-S72 VanDerWaalsContact C-N 3.28Å; K70-S72 PolarHBondContact O-N 3.46Å; S72-L74 PolarHBondContact O-N 3.36Å; S72-L74 WeakPolarHBondContact OG-CB 3.3Å; S72-L74 PolarHBondContact OG-N 2.98Å; S72-Y79 VanDerWaalsContact OG-CD2 3.27Å; S72-Y79 WeakPolarHBondContact OG-CD2 3.37Å
73G95Very high94Very high68 Ų6865.5 Ų65.570%0.70134%0.336SS*.THydrogen-bonded Turntrans68.419.3-173.500000114.1I69 K70 L71I69-G73 PolarHBondContact O-N 2.56Å; K70-G73 PolarHBondContact O-N 3.43Å; K70-G73 VanDerWaalsContact O-N 3.09Å; L71-G73 VanDerWaalsContact C-N 3.28Å; L71-G73 PolarHBondContact O-N 3.02Å
74L95.1Very high93.9Very high33 Ų3368.2 Ų68.217%0.17335%0.346CS..  trans-105.3154.2-179.9-62.3-179.7000110.9M50 I69 S72 T78 Y79M50-L74 HydrophobicContact CE-CD1 3.3Å; I69-L74 WeakPolarHBondContact CG2-O 3.5Å; S72-L74 PolarHBondContact O-N 3.36Å; S72-L74 WeakPolarHBondContact OG-CB 3.3Å; S72-L74 PolarHBondContact OG-N 2.98Å; L74-T78 HydrophobicContact CD1-CG2 4.44Å; L74-T78 HydrophobicContact CD2-CG2 4.28Å; L74-Y79 HydrophobicContact CB-CD2 4.5Å; L74-Y79 HydrophobicContact CD1-CD2 4.23Å
75N95.2Very high93.8Very high96 Ų9665 Ų6551%0.51333%0.332SS..  trans-72.8158.5166.273.457.1000110.4K77 T78 Y79N75-K77 VanDerWaalsContact C-N 3.32Å; N75-K77 PolarHBondContact O-N 3.2Å; N75-K77 PolarHBondContact OD1-N 3.39Å; N75-K77 VanDerWaalsContact OD1-N 3.11Å; N75-T78 PolarHBondContact ND2-OG1 3.08Å; N75-T78 VanDerWaalsContact ND2-OG1 3.08Å; N75-T78 PolarHBondContact O-N 3.27Å; N75-T78 WeakPolarHBondContact OD1-CB 3.06Å; N75-T78 PolarHBondContact OD1-N 3.33Å; N75-T78 PolarHBondContact OD1-OG1 3.1Å; N75-T78 VanDerWaalsContact OD1-OG1 3.12Å; N75-Y79 WeakPolarHBondContact O-CB 3.46Å; N75-Y79 PolarHBondContact O-N 3.29Å
76K94.7Very high93.8Very high138 Ų13858 Ų5860%0.631%0.305SS*.Hα-helixtrans-55.8-41.4-176.2-177.4173.1-177.9178.60113.6I69 Q80I69-K76 HydrophobicContact CD1-CB 4.29Å; I69-K76 HydrophobicContact CD1-CG 4Å; K76-Q80 WeakPolarHBondContact O-CG 3.36Å; K76-Q80 PolarHBondContact O-N 3.47Å
77K93.5Very high93.6Very high180 Ų18057.3 Ų57.378%0.78329%0.293SS*.Hα-helixtrans-69.1-46.7-177.8-69.1-175.2179.8178.40111.3N75 Q80 S81N75-K77 VanDerWaalsContact C-N 3.32Å; N75-K77 PolarHBondContact O-N 3.2Å; N75-K77 PolarHBondContact OD1-N 3.39Å; N75-K77 VanDerWaalsContact OD1-N 3.11Å; K77-Q80 PolarHBondContact O-N 3.15Å; K77-S81 WeakPolarHBondContact O-CB 3.46Å; K77-S81 PolarHBondContact O-N 3.41Å
78T93.8Very high93.1Very high38 Ų3855.3 Ų55.323%0.23329%0.29CS..Hα-helixtrans-64-44.9176.8-58.60000110.5L74 N75 Q80 S81 C82L74-T78 HydrophobicContact CD1-CG2 4.44Å; L74-T78 HydrophobicContact CD2-CG2 4.28Å; N75-T78 PolarHBondContact ND2-OG1 3.08Å; N75-T78 VanDerWaalsContact ND2-OG1 3.08Å; N75-T78 PolarHBondContact O-N 3.27Å; N75-T78 WeakPolarHBondContact OD1-CB 3.06Å; N75-T78 PolarHBondContact OD1-N 3.33Å; N75-T78 PolarHBondContact OD1-OG1 3.1Å; N75-T78 VanDerWaalsContact OD1-OG1 3.12Å; T78-Q80 PolarHBondContact O-N 2.99Å; T78-S81 PolarHBondContact O-N 3.19Å; T78-C82 VanDerWaalsContact O-CB 3.27Å; T78-C82 WeakPolarHBondContact O-CB 3.44Å; T78-C82 PolarHBondContact O-N 3.33Å; T78-C82 PolarHBondContact O-SG 3.16Å; T78-C82 VanDerWaalsContact O-SG 3.37Å
79Y95.9Very high92.7Very high4 Ų459 Ų592%0.01631%0.309CS..Hα-helixtrans-56.6-52.1177.1-174.3-92.1000111.5V49 M50 D53 I69 S72 L74 N75 S81 C82 L83V49-Y79 HydrophobicContact CG1-CE2 4.3Å; M50-Y79 HydrophobicContact CE-CD2 3.81Å; M50-Y79 HydrophobicContact CE-CE2 4.13Å; M50-Y79 HydrophobicContact CE-CG 4.43Å; M50-Y79 HydrophobicContact CG-CD2 4.5Å; M50-Y79 HydrophobicContact CG-CE2 3.91Å; D53-Y79 PolarHBondContact OD2-OH 2.89Å; D53-Y79 VanDerWaalsContact OD2-OH 3.05Å; I69-Y79 HydrophobicContact CB-CG 4.47Å; I69-Y79 HydrophobicContact CD1-CD1 4.31Å; I69-Y79 HydrophobicContact CG1-CD1 3.54Å; I69-Y79 HydrophobicContact CG1-CD2 4.21Å; I69-Y79 HydrophobicContact CG1-CE1 4.03Å; I69-Y79 HydrophobicContact CG1-CG 3.63Å; S72-Y79 VanDerWaalsContact OG-CD2 3.27Å; S72-Y79 WeakPolarHBondContact OG-CD2 3.37Å; L74-Y79 HydrophobicContact CB-CD2 4.5Å; L74-Y79 HydrophobicContact CD1-CD2 4.23Å; N75-Y79 WeakPolarHBondContact O-CB 3.46Å; N75-Y79 PolarHBondContact O-N 3.29Å; Y79-S81 PolarHBondContact O-N 2.83Å; Y79-C82 PolarHBondContact O-N 3.21Å; Y79-L83 HydrophobicContact CE1-CB 4.46Å; Y79-L83 HydrophobicContact CE1-CD2 3.98Å; Y79-L83 WeakPolarHBondContact O-CB 3.37Å; Y79-L83 PolarHBondContact O-N 2.84Å
80Q92.9Very high92.4Very high103 Ų10358.5 Ų58.548%0.48131%0.307SS..Hα-helixtrans-64-40.8179.6-72.8-162-1000112.8K76 K77 T78 K84K76-Q80 WeakPolarHBondContact O-CG 3.36Å; K76-Q80 PolarHBondContact O-N 3.47Å; K77-Q80 PolarHBondContact O-N 3.15Å; T78-Q80 PolarHBondContact O-N 2.99Å; Q80-K84 VanDerWaalsContact O-CB 3.29Å; Q80-K84 WeakPolarHBondContact O-CB 3.46Å; Q80-K84 PolarHBondContact O-N 3.39Å
81S91.4Very high91.8Very high54 Ų5453.4 Ų53.438%0.37830%0.302SS..Hα-helixtrans-64.3-43.2177.3176.90000112K77 T78 Y79 S85K77-S81 WeakPolarHBondContact O-CB 3.46Å; K77-S81 PolarHBondContact O-N 3.41Å; T78-S81 PolarHBondContact O-N 3.19Å; Y79-S81 PolarHBondContact O-N 2.83Å; S81-S85 WeakPolarHBondContact O-CB 3.36Å; S81-S85 PolarHBondContact O-N 3.32Å; S81-S85 PolarHBondContact O-OG 3.13Å
82C92.9Very high91.3Very high1 Ų155.1 Ų55.11%0.00731%0.311CS..Hα-helixtrans-68.8-48177.2-73.90000111.4T42 M50 T78 Y79 K84 S85 F86T42-C82 HydrophobicContact CG2-CB 4.11Å; M50-C82 HydrophobicContact CE-CB 3.39Å; M50-C82 HydrophobicContact SD-CB 3.83Å; T78-C82 VanDerWaalsContact O-CB 3.27Å; T78-C82 WeakPolarHBondContact O-CB 3.44Å; T78-C82 PolarHBondContact O-N 3.33Å; T78-C82 PolarHBondContact O-SG 3.16Å; T78-C82 VanDerWaalsContact O-SG 3.37Å; Y79-C82 PolarHBondContact O-N 3.21Å; C82-K84 VanDerWaalsContact C-N 3.27Å; C82-K84 PolarHBondContact O-N 3.42Å; C82-S85 CarbonylContact O-C 3.46Å; C82-S85 WeakPolarHBondContact O-CA 3.48Å; C82-S85 WeakPolarHBondContact O-CB 3.11Å; C82-S85 PolarHBondContact O-N 3.34Å; C82-F86 VanDerWaalsContact O-CD2 3.28Å; C82-F86 WeakPolarHBondContact O-CD2 3.21Å; C82-F86 PolarHBondContact O-N 2.99Å
83L93.1Very high90.1Very high18 Ų1856.3 Ų56.39%0.09432%0.317CS..Hα-helixtrans-55.1-45.3176.2-174.471.4000110.8M50 D53 L54 Y79 S85 F86 E87M50-L83 HydrophobicContact CB-CD1 3.86Å; M50-L83 HydrophobicContact CG-CD1 3.99Å; D53-L83 HydrophobicContact CB-CD1 4.25Å; D53-L83 VanDerWaalsContact OD2-CD2 3.27Å; D53-L83 WeakPolarHBondContact OD2-CD2 3.14Å; L54-L83 HydrophobicContact CD1-CD1 4.29Å; L54-L83 HydrophobicContact CD2-CD1 3.94Å; L54-L83 HydrophobicContact CD2-CG 4.47Å; L54-L83 HydrophobicContact CG-CD1 3.84Å; Y79-L83 HydrophobicContact CE1-CB 4.46Å; Y79-L83 HydrophobicContact CE1-CD2 3.98Å; Y79-L83 WeakPolarHBondContact O-CB 3.37Å; Y79-L83 PolarHBondContact O-N 2.84Å; L83-S85 VanDerWaalsContact C-N 3.28Å; L83-S85 PolarHBondContact O-N 3.04Å; L83-F86 WeakPolarHBondContact O-CB 3.47Å; L83-F86 PolarHBondContact O-N 3.23Å; L83-F86 VanDerWaalsContact O-N 3.15Å; L83-E87 WeakPolarHBondContact O-CG 3.14Å; L83-E87 PolarHBondContact O-N 3.01Å
84K89.5Confident88.6Confident96 Ų9656.9 Ų56.942%0.41731%0.31SS..Hα-helixtrans-63.2-35.6176.3-169.153.9175.8174.40112.8Q80 C82 E87 C88Q80-K84 VanDerWaalsContact O-CB 3.29Å; Q80-K84 WeakPolarHBondContact O-CB 3.46Å; Q80-K84 PolarHBondContact O-N 3.39Å; C82-K84 VanDerWaalsContact C-N 3.27Å; C82-K84 PolarHBondContact O-N 3.42Å; K84-E87 WeakPolarHBondContact CD-OE2 3.3Å; K84-E87 IonicContact NZ-OE2 2.66Å; K84-E87 PolarHBondContact NZ-OE2 3.2Å; K84-E87 PolarHBondContact O-N 3.29Å; K84-C88 PolarHBondContact O-N 3.07Å; K84-C88 VanDerWaalsContact O-N 3.09Å; K84-C88 PolarHBondContact O-SG 3.18Å; K84-C88 VanDerWaalsContact O-SG 3.33Å
85S89.6Confident87.2Confident37 Ų3759.4 Ų59.426%0.25932%0.324SS..Hα-helixtrans-69.2-38.3175.7-560000111.5S81 C82 L83 C88 L89S81-S85 WeakPolarHBondContact O-CB 3.36Å; S81-S85 PolarHBondContact O-N 3.32Å; S81-S85 PolarHBondContact O-OG 3.13Å; C82-S85 CarbonylContact O-C 3.46Å; C82-S85 WeakPolarHBondContact O-CA 3.48Å; C82-S85 WeakPolarHBondContact O-CB 3.11Å; C82-S85 PolarHBondContact O-N 3.34Å; L83-S85 VanDerWaalsContact C-N 3.28Å; L83-S85 PolarHBondContact O-N 3.04Å; S85-C88 PolarHBondContact O-N 2.54Å; S85-L89 WeakPolarHBondContact O-CB 3.35Å; S85-L89 VanDerWaalsContact O-CG 3.24Å; S85-L89 WeakPolarHBondContact O-CG 3.44Å; S85-L89 PolarHBondContact O-N 3.49Å
86F92.4Very high86.1Confident2 Ų256.5 Ų56.51%0.00931%0.308CS..Hα-helixtrans-61.4-48.3172.2-87.5-119.2000110.8S31 C35 L38 T42 M50 L54 C82 L83 C88 L89 L90S31-F86 VanDerWaalsContact CB-CE1 3.43Å; C35-F86 HydrophobicContact CB-CE2 4.3Å; C35-F86 HydrophobicContact CB-CZ 4.28Å; L38-F86 HydrophobicContact CD1-CD2 3.6Å; L38-F86 HydrophobicContact CD1-CE2 3.59Å; T42-F86 HydrophobicContact CG2-CE2 4.16Å; M50-F86 HydrophobicContact CB-CD1 4.44Å; M50-F86 HydrophobicContact SD-CD2 4.01Å; M50-F86 HydrophobicContact SD-CE2 3.95Å; M50-F86 HydrophobicContact SD-CG 4.44Å; M50-F86 HydrophobicContact SD-CZ 4.33Å; L54-F86 HydrophobicContact CD1-CB 3.91Å; C82-F86 VanDerWaalsContact O-CD2 3.28Å; C82-F86 WeakPolarHBondContact O-CD2 3.21Å; C82-F86 PolarHBondContact O-N 2.99Å; L83-F86 WeakPolarHBondContact O-CB 3.47Å; L83-F86 PolarHBondContact O-N 3.23Å; L83-F86 VanDerWaalsContact O-N 3.15Å; F86-C88 VanDerWaalsContact C-N 3.3Å; F86-C88 PolarHBondContact O-N 2.94Å; F86-L89 PolarHBondContact O-N 3.2Å; F86-L90 HydrophobicContact CD1-CD1 4.31Å; F86-L90 WeakPolarHBondContact O-CB 3.36Å; F86-L90 WeakPolarHBondContact O-CG 3.45Å; F86-L90 PolarHBondContact O-N 2.82Å
87E89.8Confident85.5Confident41 Ų4151.3 Ų51.319%0.19229%0.294CS..Hα-helixtrans-52.6-49.5174.7-70.1178.6166.300111.6L54 L83 K84 G91 L92L54-E87 HydrophobicContact CD2-CG 3.36Å; L83-E87 WeakPolarHBondContact O-CG 3.14Å; L83-E87 PolarHBondContact O-N 3.01Å; K84-E87 WeakPolarHBondContact CD-OE2 3.3Å; K84-E87 IonicContact NZ-OE2 2.66Å; K84-E87 PolarHBondContact NZ-OE2 3.2Å; K84-E87 PolarHBondContact O-N 3.29Å; E87-G91 PolarHBondContact O-N 3.11Å; E87-G91 VanDerWaalsContact O-N 3.07Å; E87-L92 PolarHBondContact O-N 2.91Å
88C84.3Confident85.3Confident41 Ų4144.1 Ų44.128%0.27726%0.263SS..Hα-helixtrans-64.6-48.4-178.8-72.70000113.2K84 S85 F86 G91 N93K84-C88 PolarHBondContact O-N 3.07Å; K84-C88 VanDerWaalsContact O-N 3.09Å; K84-C88 PolarHBondContact O-SG 3.18Å; K84-C88 VanDerWaalsContact O-SG 3.33Å; S85-C88 PolarHBondContact O-N 2.54Å; F86-C88 VanDerWaalsContact C-N 3.3Å; F86-C88 PolarHBondContact O-N 2.94Å; C88-G91 PolarHBondContact O-N 3.31Å; C88-N93 WeakPolarHBondContact CA-ND2 3.38Å; C88-N93 PolarHBondContact SG-ND2 2.81Å; C88-N93 PolarHBondContact SG-OD1 3.4Å
89L87.8Confident85.1Confident77 Ų7750.6 Ų50.640%0.40328%0.284SS..Hα-helixtrans-72-33.8-175.7-70.1169000112K34 C35 L38 S85 F86 G91K34-L89 WeakPolarHBondContact CD-O 3.28Å; C35-L89 HydrophobicContact CB-CD1 4.26Å; L38-L89 HydrophobicContact CD1-CD1 4.01Å; L38-L89 HydrophobicContact CG-CD1 4.42Å; S85-L89 WeakPolarHBondContact O-CB 3.35Å; S85-L89 VanDerWaalsContact O-CG 3.24Å; S85-L89 WeakPolarHBondContact O-CG 3.44Å; S85-L89 PolarHBondContact O-N 3.49Å; F86-L89 PolarHBondContact O-N 3.2Å; L89-G91 VanDerWaalsContact C-N 3.28Å
90L89.4Confident84.8Confident13 Ų1355.2 Ų55.27%0.06831%0.308CS..Hα-helixtrans-79.4-12.6175.9-62.6-178.6000112.7Y27 L30 L54 F86 L92Y27-L90 HydrophobicContact CG-CD1 4.47Å; L30-L90 HydrophobicContact CB-CD2 3.56Å; L54-L90 HydrophobicContact CD1-CD1 4.22Å; F86-L90 HydrophobicContact CD1-CD1 4.31Å; F86-L90 WeakPolarHBondContact O-CB 3.36Å; F86-L90 WeakPolarHBondContact O-CG 3.45Å; F86-L90 PolarHBondContact O-N 2.82Å; L90-L92 VanDerWaalsContact C-N 3.35Å; L90-L92 HydrophobicContact CB-CD1 3.79Å; L90-L92 HydrophobicContact CB-CG 3.69Å; L90-L92 HydrophobicContact CD1-CD1 3.86Å; L90-L92 HydrophobicContact CG-CD1 4.49Å
91G83.2Confident84.6Confident59 Ų5950.3 Ų50.361%0.60829%0.286SS*.THydrogen-bonded Turntrans75.525.6-177.300000112.9E87 C88 L89 N93E87-G91 PolarHBondContact O-N 3.11Å; E87-G91 VanDerWaalsContact O-N 3.07Å; C88-G91 PolarHBondContact O-N 3.31Å; L89-G91 VanDerWaalsContact C-N 3.28Å; G91-N93 VanDerWaalsContact C-N 3.34Å
92L83.1Confident84.6Confident53 Ų5347.8 Ų47.828%0.27727%0.268SS..  trans-94.17.3-178.8-53.3175.6000112.7Y27 L54 E87 L90 S94Y27-L92 HydrophobicContact CD1-CD1 3.91Å; Y27-L92 HydrophobicContact CD1-CD2 4.33Å; Y27-L92 HydrophobicContact CD2-CD1 4.11Å; Y27-L92 HydrophobicContact CE1-CD1 3.7Å; Y27-L92 HydrophobicContact CE1-CD2 3.5Å; Y27-L92 VanDerWaalsContact CE1-CD2 3.5Å; Y27-L92 HydrophobicContact CE1-CG 4.22Å; Y27-L92 HydrophobicContact CE2-CD1 3.88Å; Y27-L92 HydrophobicContact CG-CD1 4.12Å; L54-L92 HydrophobicContact CB-CD1 4.23Å; L54-L92 HydrophobicContact CD1-CD1 4.04Å; L54-L92 HydrophobicContact CG-CD1 4.49Å; E87-L92 PolarHBondContact O-N 2.91Å; L90-L92 VanDerWaalsContact C-N 3.35Å; L90-L92 HydrophobicContact CB-CD1 3.79Å; L90-L92 HydrophobicContact CB-CG 3.69Å; L90-L92 HydrophobicContact CD1-CD1 3.86Å; L90-L92 HydrophobicContact CG-CD1 4.49Å; L92-S94 PolarHBondContact O-N 3.25Å
93N69.1Low84.6Confident30 Ų3052.1 Ų52.116%0.1629%0.294CS..  trans-54.3117.1175.9-76.7-34.6000108.8C88 G91 N95C88-N93 WeakPolarHBondContact CA-ND2 3.38Å; C88-N93 PolarHBondContact SG-ND2 2.81Å; C88-N93 PolarHBondContact SG-OD1 3.4Å; G91-N93 VanDerWaalsContact C-N 3.34Å; N93-N95 PolarHBondContact O-N 3.1Å
94S64Low84.4Confident80 Ų8057.2 Ų57.256%0.55932%0.318SS*.  trans-52.5117.1168.5490000107.7L92 I96L92-S94 PolarHBondContact O-N 3.25Å; S94-I96 VanDerWaalsContact C-N 3.33Å; S94-I96 PolarHBondContact O-N 3.49Å
95N66.1Low84.5Confident87 Ų8754 Ų5447%0.46530%0.304SS..  trans-61.4100.7172.5-68.9-31.6000107N93 G97 S136N93-N95 PolarHBondContact O-N 3.1Å; N95-G97 PolarHBondContact O-N 2.98Å; N95-S136 PolarHBondContact ND2-OG 3.32Å; N95-S136 PolarHBondContact OD1-O 3.42Å; N95-S136 PolarHBondContact OD1-OG 3Å
96I72.2Confident84.5Confident34 Ų3457.3 Ų57.317%0.17433%0.327CS..  trans-75.6112.8176.3-59.9169.8000105.5S94 D100 L101 T141 T164S94-I96 VanDerWaalsContact C-N 3.33Å; S94-I96 PolarHBondContact O-N 3.49Å; I96-D100 HydrophobicContact CG2-CB 4.01Å; I96-L101 HydrophobicContact CG2-CB 3.91Å; I96-L101 HydrophobicContact CG2-CD1 4.21Å; I96-T141 PolarHBondContact O-OG1 3.08Å; I96-T164 HydrophobicContact CD1-CG2 4Å
97G82Confident84.5Confident30 Ų3057.3 Ų57.331%0.30933%0.327SS..  trans-58.8149.217600000110.5N95 R99 D100 L101N95-G97 PolarHBondContact O-N 2.98Å; G97-R99 PolarHBondContact O-N 2.88Å; G97-R99 VanDerWaalsContact O-N 3.11Å; G97-D100 PolarHBondContact O-N 3.01Å; G97-D100 VanDerWaalsContact O-N 3.11Å; G97-L101 PolarHBondContact O-N 2.9Å
98I89.7Confident84.7Confident28 Ų2859.1 Ų59.114%0.14434%0.341CS..Hα-helixtrans-54-35.6177.8-58166.2000110.7A102 V111 A114 L118 T141 L145I98-A102 VanDerWaalsContact O-CB 3.29Å; I98-A102 WeakPolarHBondContact O-CB 3.49Å; I98-A102 PolarHBondContact O-N 3.36Å; I98-V111 HydrophobicContact CG2-CG1 4.27Å; I98-A114 HydrophobicContact CG2-CB 3.84Å; I98-L118 HydrophobicContact CD1-CD1 3.5Å; I98-L118 HydrophobicContact CG1-CD1 4.19Å; I98-T141 HydrophobicContact CG1-CG2 3.88Å; I98-L145 HydrophobicContact CG2-CD1 4.37Å
99R89.2Confident85Confident175 Ų17562.9 Ų62.966%0.6636%0.355SS*.Hα-helixtrans-68.3-47.9178.5-171.9171.8-70.8-145.3-1.9112.3G97 L101 A102 V103G97-R99 PolarHBondContact O-N 2.88Å; G97-R99 VanDerWaalsContact O-N 3.11Å; R99-L101 VanDerWaalsContact C-N 3.27Å; R99-L101 PolarHBondContact O-N 3.46Å; R99-A102 PolarHBondContact O-N 3.5Å; R99-A102 VanDerWaalsContact O-N 3.17Å; R99-V103 WeakPolarHBondContact O-CG2 3.38Å; R99-V103 PolarHBondContact O-N 3.43Å
100D88.3Confident85.3Confident100 Ų10059.2 Ų59.254%0.53534%0.335SS..Hα-helixtrans-61.9-40.8178.1-58.5-39.5000110.8I96 G97 V103 Q104I96-D100 HydrophobicContact CG2-CB 4.01Å; G97-D100 PolarHBondContact O-N 3.01Å; G97-D100 VanDerWaalsContact O-N 3.11Å; D100-V103 PolarHBondContact O-N 3.36Å; D100-Q104 WeakPolarHBondContact O-CG 3.3Å; D100-Q104 PolarHBondContact O-N 3.04Å
101L88.9Confident85.6Confident1 Ų159.2 Ų59.21%0.00534%0.336CS..Hα-helixtrans-64-43.2175.4-166.469.2000111.5I96 G97 R99 V103 Q104 F105 L145 T164I96-L101 HydrophobicContact CG2-CB 3.91Å; I96-L101 HydrophobicContact CG2-CD1 4.21Å; G97-L101 PolarHBondContact O-N 2.9Å; R99-L101 VanDerWaalsContact C-N 3.27Å; R99-L101 PolarHBondContact O-N 3.46Å; L101-V103 VanDerWaalsContact C-N 3.28Å; L101-V103 PolarHBondContact O-N 3.45Å; L101-Q104 WeakPolarHBondContact O-CB 3.47Å; L101-Q104 PolarHBondContact O-N 3.42Å; L101-Q104 VanDerWaalsContact O-N 3.16Å; L101-F105 HydrophobicContact CD1-CD2 3.82Å; L101-F105 HydrophobicContact CD1-CE2 3.59Å; L101-F105 HydrophobicContact CG-CD2 4.02Å; L101-F105 HydrophobicContact CG-CE2 4.25Å; L101-F105 WeakPolarHBondContact O-CD2 3.04Å; L101-F105 PolarHBondContact O-N 2.99Å; L101-L145 HydrophobicContact CB-CD2 3.98Å; L101-L145 HydrophobicContact CD2-CB 4.31Å; L101-L145 HydrophobicContact CD2-CD2 3.66Å; L101-L145 HydrophobicContact CG-CD2 3.63Å; L101-T164 HydrophobicContact CD1-CG2 3.69Å
102A92.3Very high86.1Confident0 Ų062 Ų620%034%0.337CS..Hα-helixtrans-64.2-33178.200000113I98 R99 S106 C107 T108 V111 L145I98-A102 VanDerWaalsContact O-CB 3.29Å; I98-A102 WeakPolarHBondContact O-CB 3.49Å; I98-A102 PolarHBondContact O-N 3.36Å; R99-A102 PolarHBondContact O-N 3.5Å; R99-A102 VanDerWaalsContact O-N 3.17Å; A102-S106 WeakPolarHBondContact O-CA 3.4Å; A102-S106 PolarHBondContact O-N 2.7Å; A102-C107 PolarHBondContact O-N 3.35Å; A102-T108 HydrophobicContact CB-CG2 4.46Å; A102-V111 HydrophobicContact CB-CG2 3.27Å; A102-L145 HydrophobicContact CB-CD1 3.99Å; A102-L145 HydrophobicContact CB-CD2 4.17Å
103V92.2Very high86.6Confident93 Ų9360.4 Ų60.456%0.56433%0.328SS*.Hα-helixtrans-66.3-45.7171.4173.80000110.9R99 D100 L101 F105 S106 T108R99-V103 WeakPolarHBondContact O-CG2 3.38Å; R99-V103 PolarHBondContact O-N 3.43Å; D100-V103 PolarHBondContact O-N 3.36Å; L101-V103 VanDerWaalsContact C-N 3.28Å; L101-V103 PolarHBondContact O-N 3.45Å; V103-F105 PolarHBondContact O-N 3.32Å; V103-S106 PolarHBondContact O-N 3.12Å; V103-T108 HydrophobicContact CG2-CG2 4.07Å
104Q88.9Confident87.8Confident125 Ų12559 Ų5958%0.58432%0.32SS*.Hα-helixtrans-60-30.9178.3-73.1-179.2-12.700113.6D100 L101D100-Q104 WeakPolarHBondContact O-CG 3.3Å; D100-Q104 PolarHBondContact O-N 3.04Å; L101-Q104 WeakPolarHBondContact O-CB 3.47Å; L101-Q104 PolarHBondContact O-N 3.42Å; L101-Q104 VanDerWaalsContact O-N 3.16Å
105F91.3Very high89.2Confident28 Ų2857 Ų5712%0.12331%0.306CS..THydrogen-bonded Turntrans-104.26.3-177.5-77.1-87.3000113.7L101 V103 C107 V156 K160 M161L101-F105 HydrophobicContact CD1-CD2 3.82Å; L101-F105 HydrophobicContact CD1-CE2 3.59Å; L101-F105 HydrophobicContact CG-CD2 4.02Å; L101-F105 HydrophobicContact CG-CE2 4.25Å; L101-F105 WeakPolarHBondContact O-CD2 3.04Å; L101-F105 PolarHBondContact O-N 2.99Å; V103-F105 PolarHBondContact O-N 3.32Å; F105-C107 VanDerWaalsContact C-N 3.28Å; F105-C107 PolarHBondContact O-N 3.22Å; F105-V156 HydrophobicContact CB-CG1 3.84Å; F105-V156 HydrophobicContact CD1-CG1 3.51Å; F105-V156 HydrophobicContact CE1-CG1 4.46Å; F105-V156 HydrophobicContact CG-CG1 4.04Å; F105-K160 HydrophobicContact CE1-CB 3.6Å; F105-K160 HydrophobicContact CZ-CB 3.83Å; F105-M161 HydrophobicContact CD1-CG 3.65Å; F105-M161 HydrophobicContact CD1-SD 4.34Å; F105-M161 HydrophobicContact CD2-CG 4.4Å; F105-M161 HydrophobicContact CE1-CB 4.24Å; F105-M161 HydrophobicContact CE1-CG 3.23Å; F105-M161 HydrophobicContact CE1-SD 4.46Å; F105-M161 HydrophobicContact CE2-CG 4.09Å; F105-M161 HydrophobicContact CG-CG 4.21Å; F105-M161 HydrophobicContact CZ-CB 4.24Å; F105-M161 HydrophobicContact CZ-CG 3.49Å; F105-M161 VanDerWaalsContact CZ-CG 3.49Å
106S90.6Very high90.6Very high107 Ų10758.5 Ų58.575%0.74831%0.309SS*.THydrogen-bonded Turntrans50.943.5-178.4-53.90000113.5A102 V103A102-S106 WeakPolarHBondContact O-CA 3.4Å; A102-S106 PolarHBondContact O-N 2.7Å; V103-S106 PolarHBondContact O-N 3.12Å
107C92.4Very high91.6Very high2 Ų256.9 Ų56.91%0.01430%0.301CS..  trans-132.344.9-177.659.80000112.3A102 F105 E109 A110 C149 L154 V156A102-C107 PolarHBondContact O-N 3.35Å; F105-C107 VanDerWaalsContact C-N 3.28Å; F105-C107 PolarHBondContact O-N 3.22Å; C107-E109 PolarHBondContact O-N 3.27Å; C107-A110 WeakPolarHBondContact O-CB 3.39Å; C107-A110 PolarHBondContact O-N 3.3Å; C107-C149 VanDerWaalsContact CB-SG 3.58Å; C107-L154 HydrophobicContact CB-CD1 4.25Å; C107-V156 HydrophobicContact CB-CG2 4.3Å
108T93.4Very high92.2Very high79 Ų7956 Ų5649%0.48529%0.289SS..G310 helixtrans-60.5-24.7-176.754.70000113.8A102 V103 A110 V111A102-T108 HydrophobicContact CB-CG2 4.46Å; V103-T108 HydrophobicContact CG2-CG2 4.07Å; T108-A110 PolarHBondContact O-N 2.88Å; T108-V111 WeakPolarHBondContact O-CB 3.36Å; T108-V111 VanDerWaalsContact O-CG2 3.27Å; T108-V111 WeakPolarHBondContact O-CG2 3.36Å; T108-V111 PolarHBondContact O-N 2.87Å
109E91.9Very high92.3Very high120 Ų12061.5 Ų61.556%0.56131%0.312SS*.G310 helixtrans-64.1-28.6176.5-52.587.7168.300111.9C107 V111 L154C107-E109 PolarHBondContact O-N 3.27Å; E109-V111 VanDerWaalsContact C-N 3.34Å; E109-V111 PolarHBondContact O-N 2.97Å; E109-L154 HydrophobicContact CB-CD1 4.26Å
110A94Very high92.4Very high0 Ų055.4 Ų55.40%030%0.296CS..G310 helixtrans-80.6-9.1-177.800000114.3C107 T108 N112 M113 A114 L145 A148 C149 L152 L154C107-A110 WeakPolarHBondContact O-CB 3.39Å; C107-A110 PolarHBondContact O-N 3.3Å; T108-A110 PolarHBondContact O-N 2.88Å; A110-N112 PolarHBondContact O-N 2.73Å; A110-M113 PolarHBondContact O-N 3.34Å; A110-A114 VanDerWaalsContact O-CB 3.31Å; A110-A114 WeakPolarHBondContact O-CB 3.17Å; A110-A114 PolarHBondContact O-N 3.33Å; A110-L145 HydrophobicContact CB-CD1 3.87Å; A110-A148 HydrophobicContact CB-CB 3.91Å; A110-C149 VanDerWaalsContact CB-SG 3.52Å; A110-L152 HydrophobicContact CB-CD1 4.05Å; A110-L154 HydrophobicContact CB-CD1 4.07Å
111V94.4Very high92.6Very high13 Ų1351.7 Ų51.78%0.07928%0.275CS..Hα-helixtrans-59.6-45.1-173.4173.10000112.3I98 A102 T108 E109 A114 S115I98-V111 HydrophobicContact CG2-CG1 4.27Å; A102-V111 HydrophobicContact CB-CG2 3.27Å; T108-V111 WeakPolarHBondContact O-CB 3.36Å; T108-V111 VanDerWaalsContact O-CG2 3.27Å; T108-V111 WeakPolarHBondContact O-CG2 3.36Å; T108-V111 PolarHBondContact O-N 2.87Å; E109-V111 VanDerWaalsContact C-N 3.34Å; E109-V111 PolarHBondContact O-N 2.97Å; V111-A114 PolarHBondContact O-N 2.94Å; V111-S115 WeakPolarHBondContact O-CB 3.49Å; V111-S115 PolarHBondContact O-N 3.46Å; V111-S115 PolarHBondContact O-OG 3.43Å
112N93.7Very high92.6Very high118 Ų11855.8 Ų55.863%0.63129%0.294SS*.Hα-helixtrans-65.3-43.6-179-71.7-20.9000111A110 S115 K116A110-N112 PolarHBondContact O-N 2.73Å; N112-S115 PolarHBondContact O-N 3.24Å; N112-K116 WeakPolarHBondContact O-CG 3.41Å; N112-K116 PolarHBondContact O-N 3.49Å; N112-K116 VanDerWaalsContact O-N 3.09Å
113M93.8Very high92.4Very high18 Ų1860.5 Ų60.59%0.08933%0.327CS..Hα-helixtrans-66.1-45.5179-172.263.9-168.400111.5A110 S115 K116 I117 A148 I151 L152 G183 I186 D187A110-M113 PolarHBondContact O-N 3.34Å; M113-S115 VanDerWaalsContact C-N 3.3Å; M113-S115 PolarHBondContact O-N 2.61Å; M113-K116 PolarHBondContact O-N 2.95Å; M113-I117 HydrophobicContact CE-CD1 4.03Å; M113-I117 HydrophobicContact CE-CG1 4.1Å; M113-I117 HydrophobicContact CG-CD1 4.02Å; M113-I117 VanDerWaalsContact O-CG1 3.27Å; M113-I117 WeakPolarHBondContact O-CG1 3.4Å; M113-I117 PolarHBondContact O-N 3.19Å; M113-A148 HydrophobicContact CB-CB 3.9Å; M113-A148 HydrophobicContact CG-CB 3.89Å; M113-I151 HydrophobicContact CE-CD1 4.16Å; M113-L152 HydrophobicContact CB-CD1 4.29Å; M113-G183 WeakPolarHBondContact CE-O 3.16Å; M113-I186 HydrophobicContact CE-CB 3.7Å; M113-I186 HydrophobicContact CE-CG2 3.74Å; M113-I186 HydrophobicContact SD-CG2 3.96Å; M113-D187 HydrophobicContact CE-CB 4.1Å
114A95.1Very high92.1Very high0 Ų059.8 Ų59.80%033%0.326CS..Hα-helixtrans-59.4-40.6176.500000112.2I98 A110 V111 I117 L118 A144 L145 A148I98-A114 HydrophobicContact CG2-CB 3.84Å; A110-A114 VanDerWaalsContact O-CB 3.31Å; A110-A114 WeakPolarHBondContact O-CB 3.17Å; A110-A114 PolarHBondContact O-N 3.33Å; V111-A114 PolarHBondContact O-N 2.94Å; A114-I117 PolarHBondContact O-N 3.33Å; A114-L118 PolarHBondContact O-N 3.44Å; A114-A144 HydrophobicContact CB-CB 4.29Å; A114-L145 HydrophobicContact CB-CB 4.48Å; A114-L145 HydrophobicContact CB-CD1 4.27Å; A114-A148 HydrophobicContact CB-CB 3.93Å
115S93.9Very high91.9Very high38 Ų3854.9 Ų54.927%0.26630%0.303SS..Hα-helixtrans-65.6-41.1177.3-57.50000112.2V111 N112 M113 L118 K119V111-S115 WeakPolarHBondContact O-CB 3.49Å; V111-S115 PolarHBondContact O-N 3.46Å; V111-S115 PolarHBondContact O-OG 3.43Å; N112-S115 PolarHBondContact O-N 3.24Å; M113-S115 VanDerWaalsContact C-N 3.3Å; M113-S115 PolarHBondContact O-N 2.61Å; S115-L118 PolarHBondContact O-N 3.34Å; S115-K119 WeakPolarHBondContact O-CG 3.34Å; S115-K119 PolarHBondContact O-N 3.45Å
116K94.1Very high91.5Very high120 Ų12057 Ų5752%0.52232%0.32SS..Hα-helixtrans-63.5-45.2174.3-70.7179.3-179-176.20111.3N112 M113 L118 K119 S120 I186N112-K116 WeakPolarHBondContact O-CG 3.41Å; N112-K116 PolarHBondContact O-N 3.49Å; N112-K116 VanDerWaalsContact O-N 3.09Å; M113-K116 PolarHBondContact O-N 2.95Å; K116-L118 VanDerWaalsContact C-N 3.33Å; K116-L118 PolarHBondContact O-N 2.93Å; K116-K119 PolarHBondContact O-N 3.47Å; K116-S120 PolarHBondContact O-N 3.02Å; K116-S120 PolarHBondContact O-OG 3.05Å; K116-I186 HydrophobicContact CB-CD1 4.17Å; K116-I186 HydrophobicContact CB-CG2 4.27Å; K116-I186 HydrophobicContact CD-CG2 3.95Å
117I94.6Very high90.6Very high0 Ų059.5 Ų59.50%032%0.32CS..Hα-helixtrans-56.7-44.9177.8-72.6169.4000111.5M113 A114 Y121 A144 A148 I151 L179 I186M113-I117 HydrophobicContact CE-CD1 4.03Å; M113-I117 HydrophobicContact CE-CG1 4.1Å; M113-I117 HydrophobicContact CG-CD1 4.02Å; M113-I117 VanDerWaalsContact O-CG1 3.27Å; M113-I117 WeakPolarHBondContact O-CG1 3.4Å; M113-I117 PolarHBondContact O-N 3.19Å; A114-I117 PolarHBondContact O-N 3.33Å; I117-Y121 VanDerWaalsContact O-CB 3.31Å; I117-Y121 WeakPolarHBondContact O-CB 3.47Å; I117-Y121 PolarHBondContact O-N 3.4Å; I117-A144 HydrophobicContact CG2-CB 4.48Å; I117-A148 HydrophobicContact CD1-CB 4.14Å; I117-I151 HydrophobicContact CD1-CD1 4Å; I117-L179 HydrophobicContact CG2-CB 3.7Å; I117-L179 HydrophobicContact CG2-CD2 3.84Å; I117-L179 HydrophobicContact CG2-CG 4.2Å; I117-I186 HydrophobicContact CG1-CD1 4.05Å
118L92.7Very high89.4Confident11 Ų1165.3 Ų65.36%0.05836%0.355CS..Hα-helixtrans-66-43.6179.1-77.4168.6000112.9I98 A114 S115 K116 S120 Y121 E122 L135 F140 A144I98-L118 HydrophobicContact CD1-CD1 3.5Å; I98-L118 HydrophobicContact CG1-CD1 4.19Å; A114-L118 PolarHBondContact O-N 3.44Å; S115-L118 PolarHBondContact O-N 3.34Å; K116-L118 VanDerWaalsContact C-N 3.33Å; K116-L118 PolarHBondContact O-N 2.93Å; L118-S120 PolarHBondContact O-N 3.49Å; L118-Y121 WeakPolarHBondContact O-CB 3.48Å; L118-Y121 PolarHBondContact O-N 2.82Å; L118-E122 PolarHBondContact O-N 2.94Å; L118-L135 HydrophobicContact CD2-CD2 4.24Å; L118-F140 HydrophobicContact CD2-CB 3.89Å; L118-A144 HydrophobicContact CD1-CB 3.71Å; L118-A144 HydrophobicContact CD2-CB 3.81Å; L118-A144 HydrophobicContact CG-CB 3.47Å; L118-A144 VanDerWaalsContact CG-CB 3.47Å
119K92Very high88.3Confident143 Ų14366.7 Ų66.762%0.62236%0.356SS*.Hα-helixtrans-62.3-43.3177-71.4179.4178.1-1730112.1S115 K116 Y121 E122 S123S115-K119 WeakPolarHBondContact O-CG 3.34Å; S115-K119 PolarHBondContact O-N 3.45Å; K116-K119 PolarHBondContact O-N 3.47Å; K119-Y121 VanDerWaalsContact C-N 3.31Å; K119-E122 WeakPolarHBondContact O-CB 3.22Å; K119-E122 PolarHBondContact O-N 3.27Å; K119-S123 PolarHBondContact O-N 3.33Å; K119-S123 VanDerWaalsContact O-N 3.09Å; K119-S123 PolarHBondContact O-OG 3.19Å; K119-S123 VanDerWaalsContact O-OG 3.04Å
120S91.8Very high87.3Confident48 Ų4864.1 Ų64.134%0.33634%0.344SS..Hα-helixtrans-67-34.1175.5-63.50000112K116 L118 S124 I182K116-S120 PolarHBondContact O-N 3.02Å; K116-S120 PolarHBondContact O-OG 3.05Å; L118-S120 PolarHBondContact O-N 3.49Å; S120-S124 WeakPolarHBondContact O-CB 3.41Å; S120-S124 PolarHBondContact O-N 2.97Å; S120-S124 VanDerWaalsContact O-N 3.11Å; S120-I182 VanDerWaalsContact CB-CG2 3.47Å
121Y92Very high85.9Confident22 Ų2270.6 Ų70.69%0.08638%0.384CS..Hα-helixtrans-63.6-48.2173.4-179.9-111.7000111.5I117 L118 K119 S123 S124 L125 L133 L135 F140 L175 L179 I182I117-Y121 VanDerWaalsContact O-CB 3.31Å; I117-Y121 WeakPolarHBondContact O-CB 3.47Å; I117-Y121 PolarHBondContact O-N 3.4Å; L118-Y121 WeakPolarHBondContact O-CB 3.48Å; L118-Y121 PolarHBondContact O-N 2.82Å; K119-Y121 VanDerWaalsContact C-N 3.31Å; Y121-S123 VanDerWaalsContact C-N 3.33Å; Y121-S123 PolarHBondContact O-N 3.39Å; Y121-S124 PolarHBondContact O-N 3.07Å; Y121-S124 VanDerWaalsContact O-N 3.09Å; Y121-S124 PolarHBondContact O-OG 3.12Å; Y121-L125 HydrophobicContact CD1-CD1 4.19Å; Y121-L125 HydrophobicContact CE1-CD1 3.79Å; Y121-L125 HydrophobicContact CE2-CD2 4.3Å; Y121-L125 WeakPolarHBondContact O-CG 3.27Å; Y121-L125 PolarHBondContact O-N 3.3Å; Y121-L133 HydrophobicContact CE1-CD2 4.21Å; Y121-L135 HydrophobicContact CD1-CD2 4.14Å; Y121-L135 HydrophobicContact CE1-CD2 4.44Å; Y121-F140 HydrophobicContact CE1-CD1 4.18Å; Y121-F140 AromaticContact CE1-CE1 3.97Å; Y121-F140 HydrophobicContact CE1-CE1 3.97Å; Y121-L175 HydrophobicContact CE1-CD1 4.35Å; Y121-L175 HydrophobicContact CE2-CD1 4.4Å; Y121-L179 HydrophobicContact CD1-CD2 4.11Å; Y121-L179 HydrophobicContact CD2-CD2 3.64Å; Y121-L179 HydrophobicContact CE2-CD2 4.31Å; Y121-L179 HydrophobicContact CG-CD2 3.52Å; Y121-I182 HydrophobicContact CD2-CD1 3.75Å; Y121-I182 HydrophobicContact CG-CD1 4.32Å
122E89.9Confident84.7Confident87 Ų8777.4 Ų77.441%0.40742%0.419SS..Hα-helixtrans-54-49.4175.5-162.4176.6-178.500112.1L118 K119 S124 L125 Q130 L135L118-E122 PolarHBondContact O-N 2.94Å; K119-E122 WeakPolarHBondContact O-CB 3.22Å; K119-E122 PolarHBondContact O-N 3.27Å; E122-S124 PolarHBondContact O-N 2.85Å; E122-L125 PolarHBondContact O-N 3.07Å; E122-Q130 PolarHBondContact O-NE2 2.88Å; E122-L135 HydrophobicContact CB-CD1 3.77Å; E122-L135 HydrophobicContact CG-CD1 3.87Å
123S88.3Confident83.9Confident99 Ų9973.8 Ų73.869%0.69240%0.4SS*.Hα-helixtrans-66.7-22.7-179.2-58.50000113.2K119 Y121K119-S123 PolarHBondContact O-N 3.33Å; K119-S123 VanDerWaalsContact O-N 3.09Å; K119-S123 PolarHBondContact O-OG 3.19Å; K119-S123 VanDerWaalsContact O-OG 3.04Å; Y121-S123 VanDerWaalsContact C-N 3.33Å; Y121-S123 PolarHBondContact O-N 3.39Å
124S86.1Confident83.4Confident77 Ų7776.3 Ų76.354%0.53841%0.414SS..Hα-helixtrans-83.8-12.2179.575.20000114S120 Y121 E122S120-S124 WeakPolarHBondContact O-CB 3.41Å; S120-S124 PolarHBondContact O-N 2.97Å; S120-S124 VanDerWaalsContact O-N 3.11Å; Y121-S124 PolarHBondContact O-N 3.07Å; Y121-S124 VanDerWaalsContact O-N 3.09Å; Y121-S124 PolarHBondContact O-OG 3.12Å; E122-S124 PolarHBondContact O-N 2.85Å
125L84.8Confident82.8Confident22 Ų2277.6 Ų77.612%0.11542%0.421CS..SBendtrans-87.5148.8-176.5-68.6171.3000111.9Y121 E122 Q130 L133Y121-L125 HydrophobicContact CD1-CD1 4.19Å; Y121-L125 HydrophobicContact CE1-CD1 3.79Å; Y121-L125 HydrophobicContact CE2-CD2 4.3Å; Y121-L125 WeakPolarHBondContact O-CG 3.27Å; Y121-L125 PolarHBondContact O-N 3.3Å; E122-L125 PolarHBondContact O-N 3.07Å; L125-Q130 HydrophobicContact CB-CG 4.23Å; L125-Q130 PolarHBondContact O-NE2 3.29Å; L125-L133 HydrophobicContact CD1-CD2 3.4Å
126P82Confident82.2Confident72 Ų7277.9 Ų77.947%0.46842%0.422SS..  trans-59.4147171.1-20.832000112.1T128 Q129 Q130P126-T128 PolarHBondContact O-N 3.23Å; P126-T128 VanDerWaalsContact O-N 3.1Å; P126-Q129 PolarHBondContact O-N 3.43Å; P126-Q130 PolarHBondContact O-N 3.01Å
127Q71.4Confident81.7Confident161 Ų16178.1 Ų78.175%0.75242%0.42SS*.Hα-helixtrans-56.3-31.1-176-130.5158.69.200113.8Q129 Q130Q127-Q129 VanDerWaalsContact C-N 3.31Å; Q127-Q129 PolarHBondContact O-N 3.02Å; Q127-Q130 PolarHBondContact O-N 3.18Å
128T67.4Low81.4Confident123 Ų12378.7 Ų78.776%0.75542%0.424SS*.Hα-helixtrans-67.5-27.4174.8460000113.8P126P126-T128 PolarHBondContact O-N 3.23Å; P126-T128 VanDerWaalsContact O-N 3.1Å
129Q71.1Confident81.2Confident108 Ų10879.5 Ų79.551%0.50543%0.428SS..Hα-helixtrans-90.1-22177.7-68-179.113.900112.4P126 Q127 L133P126-Q129 PolarHBondContact O-N 3.43Å; Q127-Q129 VanDerWaalsContact C-N 3.31Å; Q127-Q129 PolarHBondContact O-N 3.02Å; Q129-L133 VanDerWaalsContact O-CB 3.3Å; Q129-L133 WeakPolarHBondContact O-CB 3.29Å
130Q69.8Low81.2Confident67 Ų6773.5 Ų73.531%0.31340%0.402SS..Hα-helixtrans-67.9-35.6-179.5-68.71779.600112.8E122 L125 P126 Q127 D132 L133E122-Q130 PolarHBondContact O-NE2 2.88Å; L125-Q130 HydrophobicContact CB-CG 4.23Å; L125-Q130 PolarHBondContact O-NE2 3.29Å; P126-Q130 PolarHBondContact O-N 3.01Å; Q127-Q130 PolarHBondContact O-N 3.18Å; Q130-D132 PolarHBondContact O-N 2.9Å; Q130-L133 PolarHBondContact O-N 2.93Å
131V65.2Low81.2Confident136 Ų13671.5 Ų71.582%0.82439%0.387SS*.THydrogen-bonded Turntrans-70.1-29.5-1741790000113.3
132D69.1Low81.3Confident155 Ų15570.4 Ų70.483%0.82938%0.383SS*.THydrogen-bonded Turntrans-99.3-0.8-178.6-16645000112.8Q130 D134Q130-D132 PolarHBondContact O-N 2.9Å; D132-D134 PolarHBondContact O-N 3.24Å
133L77.4Confident81.5Confident43 Ų4366.3 Ų66.323%0.22536%0.364CS..  trans-95.1102.6-172.2-165.183.4000112Y121 L125 Q129 Q130 L135 F140Y121-L133 HydrophobicContact CE1-CD2 4.21Å; L125-L133 HydrophobicContact CD1-CD2 3.4Å; Q129-L133 VanDerWaalsContact O-CB 3.3Å; Q129-L133 WeakPolarHBondContact O-CB 3.29Å; Q130-L133 PolarHBondContact O-N 2.93Å; L133-L135 HydrophobicContact CD2-CD2 3.43Å; L133-L135 VanDerWaalsContact CD2-CD2 3.43Å; L133-L135 HydrophobicContact CD2-CG 4.02Å; L133-L135 HydrophobicContact CG-CD2 3.99Å; L133-L135 HydrophobicContact CG-CG 4.45Å; L133-L135 PolarHBondContact O-N 2.97Å; L133-F140 HydrophobicContact CD1-CE1 3.96Å; L133-F140 HydrophobicContact CD1-CE2 4.05Å; L133-F140 HydrophobicContact CD1-CZ 3.38Å; L133-F140 HydrophobicContact CG-CE2 4.42Å; L133-F140 HydrophobicContact CG-CZ 4.11Å
134D82.2Confident81.8Confident71 Ų7161.6 Ų61.638%0.3833%0.331SS..  trans-85.9101.6168.4-179.510.8000111.4D132 S136 R137 F140D132-D134 PolarHBondContact O-N 3.24Å; D134-S136 VanDerWaalsContact CG-OG 3.24Å; D134-S136 PolarHBondContact O-N 3.05Å; D134-S136 VanDerWaalsContact OD1-CB 3.26Å; D134-S136 WeakPolarHBondContact OD1-CB 3.4Å; D134-S136 PolarHBondContact OD1-N 2.95Å; D134-S136 PolarHBondContact OD1-OG 2.93Å; D134-S136 PolarHBondContact OD2-OG 3.32Å; D134-R137 HydrophobicContact CB-CG 3.95Å; D134-R137 WeakPolarHBondContact O-CG 3.2Å; D134-R137 PolarHBondContact O-N 3.49Å; D134-R137 WeakPolarHBondContact OD2-CG 3.5Å; D134-F140 WeakPolarHBondContact O-CD2 3.22Å; D134-F140 WeakPolarHBondContact O-CE2 3.34Å
135L83.7Confident82.3Confident27 Ų2757.9 Ų57.914%0.14131%0.305CS..THydrogen-bonded Turntrans-72.2-11.6176.7-65.5179.1000114.1L118 Y121 E122 L133 R137 F140L118-L135 HydrophobicContact CD2-CD2 4.24Å; Y121-L135 HydrophobicContact CD1-CD2 4.14Å; Y121-L135 HydrophobicContact CE1-CD2 4.44Å; E122-L135 HydrophobicContact CB-CD1 3.77Å; E122-L135 HydrophobicContact CG-CD1 3.87Å; L133-L135 HydrophobicContact CD2-CD2 3.43Å; L133-L135 VanDerWaalsContact CD2-CD2 3.43Å; L133-L135 HydrophobicContact CD2-CG 4.02Å; L133-L135 HydrophobicContact CG-CD2 3.99Å; L133-L135 HydrophobicContact CG-CG 4.45Å; L133-L135 PolarHBondContact O-N 2.97Å; L135-R137 PolarHBondContact O-N 2.92Å; L135-F140 HydrophobicContact CD2-CB 4.26Å; L135-F140 HydrophobicContact CD2-CD1 3.94Å; L135-F140 HydrophobicContact CD2-CD2 4.34Å; L135-F140 HydrophobicContact CD2-CE1 4.41Å; L135-F140 HydrophobicContact CD2-CG 3.92Å
136S80.6Confident82.8Confident43 Ų4357.3 Ų57.330%0.30130%0.302SS..THydrogen-bonded Turntrans-78.3-11.217776.40000112.7N95 D134N95-S136 PolarHBondContact ND2-OG 3.32Å; N95-S136 PolarHBondContact OD1-O 3.42Å; N95-S136 PolarHBondContact OD1-OG 3Å; D134-S136 VanDerWaalsContact CG-OG 3.24Å; D134-S136 PolarHBondContact O-N 3.05Å; D134-S136 VanDerWaalsContact OD1-CB 3.26Å; D134-S136 WeakPolarHBondContact OD1-CB 3.4Å; D134-S136 PolarHBondContact OD1-N 2.95Å; D134-S136 PolarHBondContact OD1-OG 2.93Å; D134-S136 PolarHBondContact OD2-OG 3.32Å
137R84.5Confident83.4Confident125 Ų12553.9 Ų53.947%0.47228%0.28SS..SBendtrans-62.5141.9177.5-62.8-178.474.3-175.65.2111.1D134 L135 L139 F140 T141D134-R137 HydrophobicContact CB-CG 3.95Å; D134-R137 WeakPolarHBondContact O-CG 3.2Å; D134-R137 PolarHBondContact O-N 3.49Å; D134-R137 WeakPolarHBondContact OD2-CG 3.5Å; L135-R137 PolarHBondContact O-N 2.92Å; R137-L139 PolarHBondContact O-N 2.83Å; R137-F140 HydrophobicContact CB-CD2 4.16Å; R137-F140 PolarHBondContact O-N 3.15Å; R137-T141 PolarHBondContact O-N 3.07Å
138P86.9Confident84.6Confident12 Ų1246.2 Ų46.28%0.07824%0.244CC..Hα-helixtrans-51.5-29179.3-30.335.5000114.8T141 S142 T164P138-T141 WeakPolarHBondContact CA-OG1 3.4Å; P138-T141 PolarHBondContact O-OG1 3.31Å; P138-S142 WeakPolarHBondContact O-CB 3.16Å; P138-S142 PolarHBondContact O-N 2.6Å; P138-S142 PolarHBondContact O-OG 3.3Å; P138-T164 WeakPolarHBondContact CB-O 3.47Å
139L89.2Confident85.9Confident28 Ų2840.4 Ų40.415%0.14721%0.208CC..Hα-helixtrans-55.2-51.4174174.159.8000112.5R137 A143 V167 F172 L175R137-L139 PolarHBondContact O-N 2.83Å; L139-A143 WeakPolarHBondContact O-CB 3.41Å; L139-A143 PolarHBondContact O-N 3.05Å; L139-A143 VanDerWaalsContact O-N 3.15Å; L139-V167 HydrophobicContact CD1-CB 4.44Å; L139-V167 HydrophobicContact CD1-CG1 4.06Å; L139-V167 HydrophobicContact CD1-CG2 3.53Å; L139-V167 HydrophobicContact CD2-CG1 4.3Å; L139-F172 HydrophobicContact CD1-CD2 4.31Å; L139-L175 HydrophobicContact CD1-CD2 3.9Å; L139-L175 HydrophobicContact CD2-CD2 4.43Å; L139-L175 HydrophobicContact CG-CD2 3.77Å
140F91.8Very high87Confident18 Ų1839.2 Ų39.28%0.07920%0.202CC..Hα-helixtrans-76.9-44.7-174.7-64.1-72.7000111.2L118 Y121 L133 D134 L135 R137 S142 A143 A144 L175L118-F140 HydrophobicContact CD2-CB 3.89Å; Y121-F140 HydrophobicContact CE1-CD1 4.18Å; Y121-F140 AromaticContact CE1-CE1 3.97Å; Y121-F140 HydrophobicContact CE1-CE1 3.97Å; L133-F140 HydrophobicContact CD1-CE1 3.96Å; L133-F140 HydrophobicContact CD1-CE2 4.05Å; L133-F140 HydrophobicContact CD1-CZ 3.38Å; L133-F140 HydrophobicContact CG-CE2 4.42Å; L133-F140 HydrophobicContact CG-CZ 4.11Å; D134-F140 WeakPolarHBondContact O-CD2 3.22Å; D134-F140 WeakPolarHBondContact O-CE2 3.34Å; L135-F140 HydrophobicContact CD2-CB 4.26Å; L135-F140 HydrophobicContact CD2-CD1 3.94Å; L135-F140 HydrophobicContact CD2-CD2 4.34Å; L135-F140 HydrophobicContact CD2-CE1 4.41Å; L135-F140 HydrophobicContact CD2-CG 3.92Å; R137-F140 HydrophobicContact CB-CD2 4.16Å; R137-F140 PolarHBondContact O-N 3.15Å; F140-S142 PolarHBondContact O-N 2.89Å; F140-A143 PolarHBondContact O-N 3.35Å; F140-A144 VanDerWaalsContact O-CB 3.25Å; F140-A144 WeakPolarHBondContact O-CB 3.31Å; F140-A144 PolarHBondContact O-N 2.96Å; F140-L175 HydrophobicContact CD1-CD1 4.4Å; F140-L175 HydrophobicContact CD1-CD2 3.79Å; F140-L175 HydrophobicContact CE1-CD1 4.38Å; F140-L175 HydrophobicContact CE1-CD2 4.08Å
141T92.6Very high88.1Confident5 Ų537.1 Ų37.13%0.03119%0.192CC..Hα-helixtrans-63.7-42.2-179.259.60000111.9I96 I98 R137 P138 L145I96-T141 PolarHBondContact O-OG1 3.08Å; I98-T141 HydrophobicContact CG1-CG2 3.88Å; R137-T141 PolarHBondContact O-N 3.07Å; P138-T141 WeakPolarHBondContact CA-OG1 3.4Å; P138-T141 PolarHBondContact O-OG1 3.31Å; T141-L145 WeakPolarHBondContact O-CB 3.19Å; T141-L145 PolarHBondContact O-N 3.09Å
142S92.8Very high89.4Confident0 Ų033.8 Ų33.80%017%0.17CC..Hα-helixtrans-71.7-40.1176.363.50000113.5P138 F140 A144 L145 L146 M161 S165 F172P138-S142 WeakPolarHBondContact O-CB 3.16Å; P138-S142 PolarHBondContact O-N 2.6Å; P138-S142 PolarHBondContact O-OG 3.3Å; F140-S142 PolarHBondContact O-N 2.89Å; S142-A144 PolarHBondContact O-N 3.45Å; S142-L145 PolarHBondContact O-N 3.44Å; S142-L146 PolarHBondContact O-N 2.82Å; S142-M161 WeakPolarHBondContact O-CE 3.42Å; S142-S165 WeakPolarHBondContact OG-CB 3.27Å; S142-F172 WeakPolarHBondContact OG-CE2 3.36Å
143A94.8Very high90.4Very high0 Ų035.6 Ų35.60%017%0.17CC..Hα-helixtrans-64.1-42.6176.400000111.7L139 F140 L146 S147 F172 L175 L179L139-A143 WeakPolarHBondContact O-CB 3.41Å; L139-A143 PolarHBondContact O-N 3.05Å; L139-A143 VanDerWaalsContact O-N 3.15Å; F140-A143 PolarHBondContact O-N 3.35Å; A143-L146 PolarHBondContact O-N 3.36Å; A143-S147 WeakPolarHBondContact O-CB 3.43Å; A143-S147 PolarHBondContact O-N 2.91Å; A143-S147 PolarHBondContact O-OG 3.37Å; A143-S147 VanDerWaalsContact O-OG 3.14Å; A143-F172 HydrophobicContact CB-CD2 4.4Å; A143-F172 HydrophobicContact CB-CE2 3.93Å; A143-F172 HydrophobicContact CB-CZ 4.43Å; A143-L175 HydrophobicContact CB-CB 4.35Å; A143-L175 HydrophobicContact CB-CD2 3.59Å; A143-L175 HydrophobicContact CB-CG 3.77Å; A143-L179 HydrophobicContact CB-CD1 3.77Å
144A95.4Very high91.1Very high0 Ų036.3 Ų36.30%017%0.174CC..Hα-helixtrans-64.1-43.7178.200000112.4A114 I117 L118 F140 S142 S147 A148 L179A114-A144 HydrophobicContact CB-CB 4.29Å; I117-A144 HydrophobicContact CG2-CB 4.48Å; L118-A144 HydrophobicContact CD1-CB 3.71Å; L118-A144 HydrophobicContact CD2-CB 3.81Å; L118-A144 HydrophobicContact CG-CB 3.47Å; L118-A144 VanDerWaalsContact CG-CB 3.47Å; F140-A144 VanDerWaalsContact O-CB 3.25Å; F140-A144 WeakPolarHBondContact O-CB 3.31Å; F140-A144 PolarHBondContact O-N 2.96Å; S142-A144 PolarHBondContact O-N 3.45Å; A144-S147 PolarHBondContact O-N 2.9Å; A144-A148 WeakPolarHBondContact O-CB 3.48Å; A144-A148 PolarHBondContact O-N 2.89Å; A144-L179 HydrophobicContact CB-CD1 4Å
145L95.1Very high91.6Very high0 Ų043.1 Ų43.10%020%0.2CC..Hα-helixtrans-63.5-42.1177-172.467.6000111.2I98 L101 A102 A110 A114 T141 S142 S147 A148 C149 M161I98-L145 HydrophobicContact CG2-CD1 4.37Å; L101-L145 HydrophobicContact CB-CD2 3.98Å; L101-L145 HydrophobicContact CD2-CB 4.31Å; L101-L145 HydrophobicContact CD2-CD2 3.66Å; L101-L145 HydrophobicContact CG-CD2 3.63Å; A102-L145 HydrophobicContact CB-CD1 3.99Å; A102-L145 HydrophobicContact CB-CD2 4.17Å; A110-L145 HydrophobicContact CB-CD1 3.87Å; A114-L145 HydrophobicContact CB-CB 4.48Å; A114-L145 HydrophobicContact CB-CD1 4.27Å; T141-L145 WeakPolarHBondContact O-CB 3.19Å; T141-L145 PolarHBondContact O-N 3.09Å; S142-L145 PolarHBondContact O-N 3.44Å; L145-S147 PolarHBondContact O-N 3.5Å; L145-A148 PolarHBondContact O-N 3.43Å; L145-C149 WeakPolarHBondContact O-CB 3.36Å; L145-C149 PolarHBondContact O-N 3.36Å; L145-C149 PolarHBondContact O-SG 3.01Å; L145-M161 HydrophobicContact CB-CE 3.98Å; L145-M161 HydrophobicContact CD2-CE 4.21Å; L145-M161 HydrophobicContact CG-CE 4.23Å
146L95.6Very high92Very high9 Ų943.3 Ų43.35%0.04720%0.202CC..Hα-helixtrans-64.4-44178.2-178.961.4000110.7S142 A143 A148 C149 K150 K158 M161 F172S142-L146 PolarHBondContact O-N 2.82Å; A143-L146 PolarHBondContact O-N 3.36Å; L146-A148 VanDerWaalsContact C-N 3.35Å; L146-C149 PolarHBondContact O-N 3.38Å; L146-K150 WeakPolarHBondContact O-CG 3.5Å; L146-K150 PolarHBondContact O-N 3.43Å; L146-K158 HydrophobicContact CD2-CD 4.44Å; L146-K158 HydrophobicContact CD2-CG 4.01Å; L146-M161 HydrophobicContact CB-CE 3.54Å; L146-M161 HydrophobicContact CB-SD 3.78Å; L146-M161 HydrophobicContact CD1-SD 3.71Å; L146-M161 HydrophobicContact CG-SD 4.24Å; L146-F172 HydrophobicContact CB-CZ 4.44Å; L146-F172 HydrophobicContact CD2-CE1 3.53Å; L146-F172 HydrophobicContact CD2-CZ 3.98Å
147S95.6Very high92.6Very high0 Ų044.5 Ų44.50%021%0.205CC..Hα-helixtrans-61.8-42.8177.5-67.80000111.7A143 A144 L145 K150 I151 C176A143-S147 WeakPolarHBondContact O-CB 3.43Å; A143-S147 PolarHBondContact O-N 2.91Å; A143-S147 PolarHBondContact O-OG 3.37Å; A143-S147 VanDerWaalsContact O-OG 3.14Å; A144-S147 PolarHBondContact O-N 2.9Å; L145-S147 PolarHBondContact O-N 3.5Å; S147-K150 PolarHBondContact O-N 2.92Å; S147-I151 WeakPolarHBondContact O-CD1 3.33Å; S147-I151 VanDerWaalsContact O-CG1 3.31Å; S147-I151 WeakPolarHBondContact O-CG1 3.24Å; S147-I151 PolarHBondContact O-N 3.23Å; S147-C176 PolarHBondContact OG-O 3.24Å
148A95.9Very high92.8Very high0 Ų042 Ų420%020%0.198CC..Hα-helixtrans-61.4-46.2174.200000112.2A110 M113 A114 I117 A144 L145 L146 K150 I151 L152A110-A148 HydrophobicContact CB-CB 3.91Å; M113-A148 HydrophobicContact CB-CB 3.9Å; M113-A148 HydrophobicContact CG-CB 3.89Å; A114-A148 HydrophobicContact CB-CB 3.93Å; I117-A148 HydrophobicContact CD1-CB 4.14Å; A144-A148 WeakPolarHBondContact O-CB 3.48Å; A144-A148 PolarHBondContact O-N 2.89Å; L145-A148 PolarHBondContact O-N 3.43Å; L146-A148 VanDerWaalsContact C-N 3.35Å; A148-K150 VanDerWaalsContact C-N 3.3Å; A148-K150 PolarHBondContact O-N 3.43Å; A148-I151 PolarHBondContact O-N 3.06Å; A148-I151 VanDerWaalsContact O-N 3.16Å; A148-L152 WeakPolarHBondContact O-CG 3.4Å; A148-L152 PolarHBondContact O-N 2.83Å
149C95Very high93Very high1 Ų146.9 Ų46.91%0.00722%0.223CC..Hα-helixtrans-60-38.8177.2-68.60000112.4C107 A110 L145 L146 L152 K153 L154 V156C107-C149 VanDerWaalsContact CB-SG 3.58Å; A110-C149 VanDerWaalsContact CB-SG 3.52Å; L145-C149 WeakPolarHBondContact O-CB 3.36Å; L145-C149 PolarHBondContact O-N 3.36Å; L145-C149 PolarHBondContact O-SG 3.01Å; L146-C149 PolarHBondContact O-N 3.38Å; C149-L152 CarbonylContact O-C 3.53Å; C149-L152 PolarHBondContact O-N 3.3Å; C149-K153 CarbonylContact O-C 3.58Å; C149-K153 PolarHBondContact O-N 3.41Å; C149-L154 HydrophobicContact CB-CB 4.08Å; C149-L154 PolarHBondContact O-N 3.11Å; C149-V156 HydrophobicContact CB-CG2 3.57Å
150K93.9Very high93Very high83 Ų8351.9 Ų51.936%0.36124%0.244SC..Hα-helixtrans-63.1-42.7174.9-73.4-179.4-178.4-172.80112.7L146 S147 A148 K153 E180L146-K150 WeakPolarHBondContact O-CG 3.5Å; L146-K150 PolarHBondContact O-N 3.43Å; S147-K150 PolarHBondContact O-N 2.92Å; A148-K150 VanDerWaalsContact C-N 3.3Å; A148-K150 PolarHBondContact O-N 3.43Å; K150-K153 PolarHBondContact O-N 3.19Å; K150-E180 WeakPolarHBondContact CD-OE2 3.37Å; K150-E180 IonicContact NZ-OE2 2.73Å; K150-E180 PolarHBondContact NZ-OE2 3.29Å
151I93.1Very high92.9Very high23 Ų2351 Ų5112%0.11824%0.24CC..Hα-helixtrans-64.9-46180-66.9159.4000109.8M113 I117 S147 A148 K153 G183 Q184 D187M113-I151 HydrophobicContact CE-CD1 4.16Å; I117-I151 HydrophobicContact CD1-CD1 4Å; S147-I151 WeakPolarHBondContact O-CD1 3.33Å; S147-I151 VanDerWaalsContact O-CG1 3.31Å; S147-I151 WeakPolarHBondContact O-CG1 3.24Å; S147-I151 PolarHBondContact O-N 3.23Å; A148-I151 PolarHBondContact O-N 3.06Å; A148-I151 VanDerWaalsContact O-N 3.16Å; I151-K153 PolarHBondContact O-N 3.18Å; I151-G183 VanDerWaalsContact CD1-C 3.44Å; I151-G183 VanDerWaalsContact CD1-CA 3.42Å; I151-Q184 HydrophobicContact CG1-CG 4.39Å; I151-D187 HydrophobicContact CG2-CB 3.68Å
152L91.7Very high92.8Very high67 Ų6751.6 Ų51.635%0.35124%0.243SC..THydrogen-bonded Turntrans-77.73.8177.2-61.2176.3000113.8A110 M113 A148 C149 L154A110-L152 HydrophobicContact CB-CD1 4.05Å; M113-L152 HydrophobicContact CB-CD1 4.29Å; A148-L152 WeakPolarHBondContact O-CG 3.4Å; A148-L152 PolarHBondContact O-N 2.83Å; C149-L152 CarbonylContact O-C 3.53Å; C149-L152 PolarHBondContact O-N 3.3Å; L152-L154 HydrophobicContact CB-CD1 4.24Å; L152-L154 HydrophobicContact CB-CG 4.01Å; L152-L154 HydrophobicContact CD1-CD1 4.43Å; L152-L154 PolarHBondContact O-N 3.26Å
153K91.7Very high92.4Very high193 Ų19355.2 Ų55.284%0.83927%0.274SS*.THydrogen-bonded Turntrans55.830.8-179.4-56174.8-177.5172.90114.2C149 K150 I151C149-K153 CarbonylContact O-C 3.58Å; C149-K153 PolarHBondContact O-N 3.41Å; K150-K153 PolarHBondContact O-N 3.19Å; I151-K153 PolarHBondContact O-N 3.18Å
154L92.1Very high91.9Very high58 Ų5857.1 Ų57.130%0.30429%0.285SS..  trans-80.5137.4174.9-58.9176.6000110.8C107 E109 A110 C149 L152 V156C107-L154 HydrophobicContact CB-CD1 4.25Å; E109-L154 HydrophobicContact CB-CD1 4.26Å; A110-L154 HydrophobicContact CB-CD1 4.07Å; C149-L154 HydrophobicContact CB-CB 4.08Å; C149-L154 PolarHBondContact O-N 3.11Å; L152-L154 HydrophobicContact CB-CD1 4.24Å; L152-L154 HydrophobicContact CB-CG 4.01Å; L152-L154 HydrophobicContact CD1-CD1 4.43Å; L152-L154 PolarHBondContact O-N 3.26Å; L154-V156 HydrophobicContact CB-CG2 4.44Å
155K91.3Very high91.4Very high214 Ų21457.5 Ų57.593%0.9329%0.288SS*.  trans-83.7118.7178-173.8176.4-179.7178.60110
156V92.6Very high90.7Very high31 Ų3160.1 Ų60.119%0.18832%0.315CS..  trans-136.8147.8-178.8-160.30000110.7F105 C107 C149 L154 K158 M161F105-V156 HydrophobicContact CB-CG1 3.84Å; F105-V156 HydrophobicContact CD1-CG1 3.51Å; F105-V156 HydrophobicContact CE1-CG1 4.46Å; F105-V156 HydrophobicContact CG-CG1 4.04Å; C107-V156 HydrophobicContact CB-CG2 4.3Å; C149-V156 HydrophobicContact CB-CG2 3.57Å; L154-V156 HydrophobicContact CB-CG2 4.44Å; V156-K158 PolarHBondContact O-N 3.18Å; V156-K158 VanDerWaalsContact O-N 3.08Å; V156-M161 HydrophobicContact CB-SD 4.34Å; V156-M161 HydrophobicContact CG1-CG 4.37Å; V156-M161 HydrophobicContact CG1-SD 3.66Å
157D92.2Very high90.1Very high68 Ų6861.8 Ų61.836%0.36433%0.325SS..  trans-7497.3175.8-172.9-24.9000111.3N159 K160 M161D157-N159 VanDerWaalsContact C-N 3.29Å; D157-N159 PolarHBondContact O-N 3.05Å; D157-N159 PolarHBondContact OD1-N 3.49Å; D157-K160 HydrophobicContact CB-CB 4.16Å; D157-K160 HydrophobicContact CB-CD 4.1Å; D157-K160 HydrophobicContact CB-CG 4.31Å; D157-K160 PolarHBondContact O-N 3.38Å; D157-K160 PolarHBondContact OD1-N 3.34Å; D157-K160 VanDerWaalsContact OD1-N 3.08Å; D157-K160 WeakPolarHBondContact OD2-CD 3.16Å; D157-K160 WeakPolarHBondContact OD2-CE 3.44Å; D157-K160 VanDerWaalsContact OD2-CG 3.3Å; D157-K160 WeakPolarHBondContact OD2-CG 3.32Å; D157-K160 IonicContact OD2-NZ 2.82Å; D157-M161 PolarHBondContact O-N 3.18Å; D157-M161 VanDerWaalsContact O-N 3.16Å
158K90.4Very high89.7Confident72 Ų7269.9 Ų69.931%0.31336%0.361SS..Hα-helixtrans-58.7-37.4178.8-177.1177.2179.8-174.80113L146 V156 M161 V162 D173L146-K158 HydrophobicContact CD2-CD 4.44Å; L146-K158 HydrophobicContact CD2-CG 4.01Å; V156-K158 PolarHBondContact O-N 3.18Å; V156-K158 VanDerWaalsContact O-N 3.08Å; K158-M161 PolarHBondContact O-N 3.47Å; K158-V162 HydrophobicContact CG-CG2 4.39Å; K158-V162 VanDerWaalsContact O-CG2 3.28Å; K158-V162 WeakPolarHBondContact O-CG2 3.32Å; K158-V162 PolarHBondContact O-N 2.95Å; K158-D173 WeakPolarHBondContact CE-OD1 3.36Å; K158-D173 IonicContact NZ-OD1 3.59Å; K158-D173 PolarHBondContact NZ-OD1 3.38Å; K158-D173 IonicContact NZ-OD2 3.69Å
159N90.4Very high89.4Confident115 Ų11575.6 Ų75.662%0.61539%0.385SS*.Hα-helixtrans-68.9-41.1-175.3-70.7-24.8000110.7D157 V162 A163D157-N159 VanDerWaalsContact C-N 3.29Å; D157-N159 PolarHBondContact O-N 3.05Å; D157-N159 PolarHBondContact OD1-N 3.49Å; N159-V162 PolarHBondContact O-N 3.46Å; N159-A163 PolarHBondContact O-N 3.49Å
160K89.3Confident89.3Confident132 Ų13279.2 Ų79.257%0.57442%0.415SS*.Hα-helixtrans-64.9-38.2173.6-73.4-179.8-170.2172.10112.4F105 D157 A163 T164F105-K160 HydrophobicContact CE1-CB 3.6Å; F105-K160 HydrophobicContact CZ-CB 3.83Å; D157-K160 HydrophobicContact CB-CB 4.16Å; D157-K160 HydrophobicContact CB-CD 4.1Å; D157-K160 HydrophobicContact CB-CG 4.31Å; D157-K160 PolarHBondContact O-N 3.38Å; D157-K160 PolarHBondContact OD1-N 3.34Å; D157-K160 VanDerWaalsContact OD1-N 3.08Å; D157-K160 WeakPolarHBondContact OD2-CD 3.16Å; D157-K160 WeakPolarHBondContact OD2-CE 3.44Å; D157-K160 VanDerWaalsContact OD2-CG 3.3Å; D157-K160 WeakPolarHBondContact OD2-CG 3.32Å; D157-K160 IonicContact OD2-NZ 2.82Å; K160-A163 PolarHBondContact O-N 2.79Å; K160-T164 PolarHBondContact O-N 2.83Å; K160-T164 PolarHBondContact O-OG1 3.25Å
161M89.5Confident89.1Confident0 Ų079.7 Ų79.70%042%0.421CS..Hα-helixtrans-64.7-43.4175.5-70-172.275.900112.3F105 S142 L145 L146 V156 D157 K158 A163 T164 S165 F172F105-M161 HydrophobicContact CD1-CG 3.65Å; F105-M161 HydrophobicContact CD1-SD 4.34Å; F105-M161 HydrophobicContact CD2-CG 4.4Å; F105-M161 HydrophobicContact CE1-CB 4.24Å; F105-M161 HydrophobicContact CE1-CG 3.23Å; F105-M161 HydrophobicContact CE1-SD 4.46Å; F105-M161 HydrophobicContact CE2-CG 4.09Å; F105-M161 HydrophobicContact CG-CG 4.21Å; F105-M161 HydrophobicContact CZ-CB 4.24Å; F105-M161 HydrophobicContact CZ-CG 3.49Å; F105-M161 VanDerWaalsContact CZ-CG 3.49Å; S142-M161 WeakPolarHBondContact O-CE 3.42Å; L145-M161 HydrophobicContact CB-CE 3.98Å; L145-M161 HydrophobicContact CD2-CE 4.21Å; L145-M161 HydrophobicContact CG-CE 4.23Å; L146-M161 HydrophobicContact CB-CE 3.54Å; L146-M161 HydrophobicContact CB-SD 3.78Å; L146-M161 HydrophobicContact CD1-SD 3.71Å; L146-M161 HydrophobicContact CG-SD 4.24Å; V156-M161 HydrophobicContact CB-SD 4.34Å; V156-M161 HydrophobicContact CG1-CG 4.37Å; V156-M161 HydrophobicContact CG1-SD 3.66Å; D157-M161 PolarHBondContact O-N 3.18Å; D157-M161 VanDerWaalsContact O-N 3.16Å; K158-M161 PolarHBondContact O-N 3.47Å; M161-A163 VanDerWaalsContact C-N 3.31Å; M161-A163 PolarHBondContact O-N 2.92Å; M161-T164 WeakPolarHBondContact O-CB 3.49Å; M161-T164 PolarHBondContact O-N 3.45Å; M161-T164 VanDerWaalsContact O-N 3.13Å; M161-S165 PolarHBondContact O-N 3.31Å; M161-S165 VanDerWaalsContact O-N 3.07Å; M161-F172 HydrophobicContact CB-CZ 4.33Å
162V89.8Confident89.1Confident17 Ų1778.6 Ų78.610%0.10342%0.415CS..Hα-helixtrans-58.9-44.3174.31740000110.4K158 N159 T164 S165 K169 F172K158-V162 HydrophobicContact CG-CG2 4.39Å; K158-V162 VanDerWaalsContact O-CG2 3.28Å; K158-V162 WeakPolarHBondContact O-CG2 3.32Å; K158-V162 PolarHBondContact O-N 2.95Å; N159-V162 PolarHBondContact O-N 3.46Å; V162-T164 VanDerWaalsContact C-N 3.28Å; V162-T164 PolarHBondContact O-N 3.1Å; V162-S165 WeakPolarHBondContact O-CB 3.27Å; V162-S165 PolarHBondContact O-N 3.01Å; V162-S165 PolarHBondContact O-OG 3.35Å; V162-K169 HydrophobicContact CG1-CB 4.14Å; V162-F172 HydrophobicContact CB-CD1 4.4Å; V162-F172 HydrophobicContact CG2-CD1 3.43Å; V162-F172 VanDerWaalsContact CG2-CD1 3.43Å; V162-F172 HydrophobicContact CG2-CE1 3.66Å; V162-F172 HydrophobicContact CG2-CG 4.08Å
163A86.1Confident89.2Confident77 Ų7777.1 Ų77.164%0.63641%0.408SS*.Hα-helixtrans-60.9-38177.100000112.4N159 K160 M161 S165 G166N159-A163 PolarHBondContact O-N 3.49Å; K160-A163 PolarHBondContact O-N 2.79Å; M161-A163 VanDerWaalsContact C-N 3.31Å; M161-A163 PolarHBondContact O-N 2.92Å; A163-S165 VanDerWaalsContact C-N 3.31Å; A163-S165 PolarHBondContact O-N 3.35Å; A163-G166 PolarHBondContact O-N 3.37Å
164T84.4Confident89.3Confident40 Ų4076.7 Ų76.725%0.24540%0.401CS..Hα-helixtrans-67.4-31.5178.4-52.10000112.4I96 L101 P138 K160 M161 V162 G166I96-T164 HydrophobicContact CD1-CG2 4Å; L101-T164 HydrophobicContact CD1-CG2 3.69Å; P138-T164 WeakPolarHBondContact CB-O 3.47Å; K160-T164 PolarHBondContact O-N 2.83Å; K160-T164 PolarHBondContact O-OG1 3.25Å; M161-T164 WeakPolarHBondContact O-CB 3.49Å; M161-T164 PolarHBondContact O-N 3.45Å; M161-T164 VanDerWaalsContact O-N 3.13Å; V162-T164 VanDerWaalsContact C-N 3.28Å; V162-T164 PolarHBondContact O-N 3.1Å; T164-G166 PolarHBondContact O-N 2.83Å
165S83.9Confident89.4Confident8 Ų874.5 Ų74.56%0.05639%0.389CS..Hα-helixtrans-67.4-19.9178.777.80000114.3S142 M161 V162 A163 V167 F172S142-S165 WeakPolarHBondContact OG-CB 3.27Å; M161-S165 PolarHBondContact O-N 3.31Å; M161-S165 VanDerWaalsContact O-N 3.07Å; V162-S165 WeakPolarHBondContact O-CB 3.27Å; V162-S165 PolarHBondContact O-N 3.01Å; V162-S165 PolarHBondContact O-OG 3.35Å; A163-S165 VanDerWaalsContact C-N 3.31Å; A163-S165 PolarHBondContact O-N 3.35Å; S165-V167 PolarHBondContact O-N 3.33Å; S165-V167 WeakPolarHBondContact OG-CG2 3.32Å; S165-V167 PolarHBondContact OG-N 3.04Å; S165-F172 VanDerWaalsContact CB-CD2 3.47Å; S165-F172 WeakPolarHBondContact OG-CD2 3.37Å
166G79.5Confident89.6Confident54 Ų5464.3 Ų64.356%0.55735%0.345SS*.THydrogen-bonded Turntrans69.29.4-179.100000115.2A163 T164A163-G166 PolarHBondContact O-N 3.37Å; T164-G166 PolarHBondContact O-N 2.83Å
167V84.4Confident89.6Confident45 Ų4569.7 Ų69.727%0.27337%0.366SS..SBendtrans-117.9167-179.6-56.10000112.7L139 S165 I171 F172L139-V167 HydrophobicContact CD1-CB 4.44Å; L139-V167 HydrophobicContact CD1-CG1 4.06Å; L139-V167 HydrophobicContact CD1-CG2 3.53Å; L139-V167 HydrophobicContact CD2-CG1 4.3Å; S165-V167 PolarHBondContact O-N 3.33Å; S165-V167 WeakPolarHBondContact OG-CG2 3.32Å; S165-V167 PolarHBondContact OG-N 3.04Å; V167-I171 HydrophobicContact CB-CB 4.48Å; V167-I171 HydrophobicContact CG2-CB 4.23Å; V167-I171 HydrophobicContact CG2-CG2 4.33Å; V167-F172 HydrophobicContact CG2-CB 3.91Å
168K86.6Confident89.7Confident170 Ų17070.4 Ų70.474%0.73937%0.367SS*.  trans-62.5140.6172.3-64.8-176.6-178.5179.10110.4A170 I171 F172K168-A170 PolarHBondContact O-N 2.94Å; K168-I171 HydrophobicContact CB-CD1 4.42Å; K168-I171 PolarHBondContact O-N 3.42Å; K168-F172 PolarHBondContact O-N 2.95Å
169K90.6Very high89.9Confident119 Ų11967 Ų6752%0.51735%0.352SS..Hα-helixtrans-47.1-40.7178.7-177.3178.8176.6-176.90113.7V162 I171 F172 D173V162-K169 HydrophobicContact CG1-CB 4.14Å; K169-I171 PolarHBondContact O-N 3.34Å; K169-F172 PolarHBondContact O-N 2.94Å; K169-D173 WeakPolarHBondContact CG-OD2 3.37Å; K169-D173 VanDerWaalsContact O-CB 3.3Å; K169-D173 WeakPolarHBondContact O-CB 3.3Å; K169-D173 PolarHBondContact O-N 3.1Å
170A91.1Very high90.1Very high77 Ų7763.8 Ų63.864%0.63633%0.334SS*.Hα-helixtrans-62.4-40.2-179.900000113.5K168 R174K168-A170 PolarHBondContact O-N 2.94Å; A170-R174 WeakPolarHBondContact O-CB 3.16Å; A170-R174 PolarHBondContact O-N 3.43Å; A170-R174 VanDerWaalsContact O-N 3.1Å
171I90.7Very high90.3Very high93 Ų9364.2 Ų64.248%0.47734%0.335SS..Hα-helixtrans-68.2-46.4177.9-59.1174.4000109.2V167 K168 K169 D173 R174 L175V167-I171 HydrophobicContact CB-CB 4.48Å; V167-I171 HydrophobicContact CG2-CB 4.23Å; V167-I171 HydrophobicContact CG2-CG2 4.33Å; K168-I171 HydrophobicContact CB-CD1 4.42Å; K168-I171 PolarHBondContact O-N 3.42Å; K169-I171 PolarHBondContact O-N 3.34Å; I171-D173 PolarHBondContact O-N 3.36Å; I171-R174 PolarHBondContact O-N 2.94Å; I171-L175 PolarHBondContact O-N 3.25Å; I171-L175 VanDerWaalsContact O-N 3.11Å
172F93.1Very high90.5Very high0 Ų065.4 Ų65.40%034%0.342CS..Hα-helixtrans-59.3-47.8177.7-175.1-97.2000112.3L139 S142 A143 L146 M161 V162 S165 V167 K168 K169 R174 L175 C176L139-F172 HydrophobicContact CD1-CD2 4.31Å; S142-F172 WeakPolarHBondContact OG-CE2 3.36Å; A143-F172 HydrophobicContact CB-CD2 4.4Å; A143-F172 HydrophobicContact CB-CE2 3.93Å; A143-F172 HydrophobicContact CB-CZ 4.43Å; L146-F172 HydrophobicContact CB-CZ 4.44Å; L146-F172 HydrophobicContact CD2-CE1 3.53Å; L146-F172 HydrophobicContact CD2-CZ 3.98Å; M161-F172 HydrophobicContact CB-CZ 4.33Å; V162-F172 HydrophobicContact CB-CD1 4.4Å; V162-F172 HydrophobicContact CG2-CD1 3.43Å; V162-F172 VanDerWaalsContact CG2-CD1 3.43Å; V162-F172 HydrophobicContact CG2-CE1 3.66Å; V162-F172 HydrophobicContact CG2-CG 4.08Å; S165-F172 VanDerWaalsContact CB-CD2 3.47Å; S165-F172 WeakPolarHBondContact OG-CD2 3.37Å; V167-F172 HydrophobicContact CG2-CB 3.91Å; K168-F172 PolarHBondContact O-N 2.95Å; K169-F172 PolarHBondContact O-N 2.94Å; F172-R174 VanDerWaalsContact C-N 3.31Å; F172-R174 PolarHBondContact O-N 2.93Å; F172-L175 PolarHBondContact O-N 2.76Å; F172-C176 WeakPolarHBondContact CE1-SG 3.39Å; F172-C176 PolarHBondContact O-N 3.27Å; F172-C176 PolarHBondContact O-SG 3.43Å
173D93.7Very high90.5Very high37 Ų3764.6 Ų64.620%0.19834%0.337CS..Hα-helixtrans-63.3-36.8179.7-80.2-23.4000112K158 K169 I171 K177K158-D173 WeakPolarHBondContact CE-OD1 3.36Å; K158-D173 IonicContact NZ-OD1 3.59Å; K158-D173 PolarHBondContact NZ-OD1 3.38Å; K158-D173 IonicContact NZ-OD2 3.69Å; K169-D173 WeakPolarHBondContact CG-OD2 3.37Å; K169-D173 VanDerWaalsContact O-CB 3.3Å; K169-D173 WeakPolarHBondContact O-CB 3.3Å; K169-D173 PolarHBondContact O-N 3.1Å; I171-D173 PolarHBondContact O-N 3.36Å; D173-K177 WeakPolarHBondContact O-CG 3.28Å; D173-K177 PolarHBondContact O-N 3.46Å; D173-K177 VanDerWaalsContact O-N 3.1Å
174R93.9Very high90.8Very high184 Ų18464.8 Ų64.869%0.69433%0.325SS*.Hα-helixtrans-62.1-48.8174.6-179.3-179.4175.1179.30.1111.2A170 I171 F172 K177 Q178A170-R174 WeakPolarHBondContact O-CB 3.16Å; A170-R174 PolarHBondContact O-N 3.43Å; A170-R174 VanDerWaalsContact O-N 3.1Å; I171-R174 PolarHBondContact O-N 2.94Å; F172-R174 VanDerWaalsContact C-N 3.31Å; F172-R174 PolarHBondContact O-N 2.93Å; R174-K177 PolarHBondContact O-N 2.91Å; R174-Q178 PolarHBondContact O-N 3.29Å
175L93.9Very high91.1Very high11 Ų1169.3 Ų69.36%0.05834%0.343CS..Hα-helixtrans-62.6-45.1178.5-178.960.1000111.2Y121 L139 F140 A143 I171 F172 K177 Q178 L179Y121-L175 HydrophobicContact CE1-CD1 4.35Å; Y121-L175 HydrophobicContact CE2-CD1 4.4Å; L139-L175 HydrophobicContact CD1-CD2 3.9Å; L139-L175 HydrophobicContact CD2-CD2 4.43Å; L139-L175 HydrophobicContact CG-CD2 3.77Å; F140-L175 HydrophobicContact CD1-CD1 4.4Å; F140-L175 HydrophobicContact CD1-CD2 3.79Å; F140-L175 HydrophobicContact CE1-CD1 4.38Å; F140-L175 HydrophobicContact CE1-CD2 4.08Å; A143-L175 HydrophobicContact CB-CB 4.35Å; A143-L175 HydrophobicContact CB-CD2 3.59Å; A143-L175 HydrophobicContact CB-CG 3.77Å; I171-L175 PolarHBondContact O-N 3.25Å; I171-L175 VanDerWaalsContact O-N 3.11Å; F172-L175 PolarHBondContact O-N 2.76Å; L175-K177 VanDerWaalsContact C-N 3.29Å; L175-K177 PolarHBondContact O-N 2.77Å; L175-Q178 WeakPolarHBondContact O-CB 3.34Å; L175-Q178 PolarHBondContact O-N 3.16Å; L175-L179 HydrophobicContact CD1-CD1 4.17Å; L175-L179 HydrophobicContact CD1-CD2 4.49Å; L175-L179 HydrophobicContact CD1-CG 4.1Å; L175-L179 HydrophobicContact CG-CD1 3.98Å; L175-L179 HydrophobicContact CG-CG 4.29Å; L175-L179 WeakPolarHBondContact O-CG 3.29Å; L175-L179 PolarHBondContact O-N 3.12Å
176C94.5Very high91.3Very high1 Ų170.6 Ų70.61%0.00735%0.349CS..Hα-helixtrans-55.6-43.7177-69.30000112.1S147 F172 Q178 L179 E180S147-C176 PolarHBondContact OG-O 3.24Å; F172-C176 WeakPolarHBondContact CE1-SG 3.39Å; F172-C176 PolarHBondContact O-N 3.27Å; F172-C176 PolarHBondContact O-SG 3.43Å; C176-Q178 VanDerWaalsContact C-N 3.3Å; C176-Q178 PolarHBondContact O-N 3.38Å; C176-L179 PolarHBondContact O-N 3.35Å; C176-E180 WeakPolarHBondContact O-CB 3.4Å; C176-E180 PolarHBondContact O-N 3.49Å
177K94.4Very high91.4Very high144 Ų14471.7 Ų71.763%0.62634%0.342SS*.Hα-helixtrans-62.3-35.2176.9-74.1175-178.8-179.20112.8D173 R174 L175 K181D173-K177 WeakPolarHBondContact O-CG 3.28Å; D173-K177 PolarHBondContact O-N 3.46Å; D173-K177 VanDerWaalsContact O-N 3.1Å; R174-K177 PolarHBondContact O-N 2.91Å; L175-K177 VanDerWaalsContact C-N 3.29Å; L175-K177 PolarHBondContact O-N 2.77Å; K177-K181 WeakPolarHBondContact O-CG 3.18Å; K177-K181 PolarHBondContact O-N 3.49Å
178Q93.8Very high91.1Very high83 Ų8378.2 Ų78.239%0.38836%0.361SS..Hα-helixtrans-69.4-48.2176.2-67.4-179.8-98.600110.8R174 L175 C176 E180 K181 I182R174-Q178 PolarHBondContact O-N 3.29Å; L175-Q178 WeakPolarHBondContact O-CB 3.34Å; L175-Q178 PolarHBondContact O-N 3.16Å; C176-Q178 VanDerWaalsContact C-N 3.3Å; C176-Q178 PolarHBondContact O-N 3.38Å; Q178-E180 VanDerWaalsContact C-N 3.33Å; Q178-E180 PolarHBondContact O-N 3.29Å; Q178-K181 PolarHBondContact O-N 2.78Å; Q178-I182 PolarHBondContact O-N 3.25Å
179L94.6Very high89.7Confident0 Ų078 Ų780%036%0.363CS..Hα-helixtrans-66.9-33-179.8-64.7-176.4000112.8I117 Y121 A143 A144 L175 C176 I182 G183I117-L179 HydrophobicContact CG2-CB 3.7Å; I117-L179 HydrophobicContact CG2-CD2 3.84Å; I117-L179 HydrophobicContact CG2-CG 4.2Å; Y121-L179 HydrophobicContact CD1-CD2 4.11Å; Y121-L179 HydrophobicContact CD2-CD2 3.64Å; Y121-L179 HydrophobicContact CE2-CD2 4.31Å; Y121-L179 HydrophobicContact CG-CD2 3.52Å; A143-L179 HydrophobicContact CB-CD1 3.77Å; A144-L179 HydrophobicContact CB-CD1 4Å; L175-L179 HydrophobicContact CD1-CD1 4.17Å; L175-L179 HydrophobicContact CD1-CD2 4.49Å; L175-L179 HydrophobicContact CD1-CG 4.1Å; L175-L179 HydrophobicContact CG-CD1 3.98Å; L175-L179 HydrophobicContact CG-CG 4.29Å; L175-L179 WeakPolarHBondContact O-CG 3.29Å; L175-L179 PolarHBondContact O-N 3.12Å; C176-L179 PolarHBondContact O-N 3.35Å; L179-I182 HydrophobicContact CD2-CD1 4.46Å; L179-I182 PolarHBondContact O-N 3.09Å; L179-G183 PolarHBondContact O-N 3.45Å
180E94.2Very high87.9Confident47 Ų4777.6 Ų77.622%0.2237%0.373CS..Hα-helixtrans-65.4-38.5176.4-172.7173.2165.100111.7K150 C176 Q178 G183 Q184K150-E180 WeakPolarHBondContact CD-OE2 3.37Å; K150-E180 IonicContact NZ-OE2 2.73Å; K150-E180 PolarHBondContact NZ-OE2 3.29Å; C176-E180 WeakPolarHBondContact O-CB 3.4Å; C176-E180 PolarHBondContact O-N 3.49Å; Q178-E180 VanDerWaalsContact C-N 3.33Å; Q178-E180 PolarHBondContact O-N 3.29Å; E180-G183 PolarHBondContact O-N 3.36Å; E180-Q184 WeakPolarHBondContact O-CB 3.44Å; E180-Q184 VanDerWaalsContact O-CG 3.27Å; E180-Q184 WeakPolarHBondContact O-CG 3.49Å; E180-Q184 PolarHBondContact O-N 3.35Å
181K93.5Very high85.9Confident141 Ų14177.5 Ų77.561%0.61338%0.379SS*.Hα-helixtrans-64.4-40.9174.4-71.3177.3-178-176.40112.4K177 Q178 Q185K177-K181 WeakPolarHBondContact O-CG 3.18Å; K177-K181 PolarHBondContact O-N 3.49Å; Q178-K181 PolarHBondContact O-N 2.78Å; K181-Q185 WeakPolarHBondContact O-CG 3.44Å; K181-Q185 PolarHBondContact O-N 2.81Å
182I93.1Very high83.5Confident26 Ų2679.6 Ų79.613%0.13339%0.391CS..Hα-helixtrans-65.3-46.5176.5-65.2172.2000109.3S120 Y121 Q178 L179 Q184 Q185 I186S120-I182 VanDerWaalsContact CB-CG2 3.47Å; Y121-I182 HydrophobicContact CD2-CD1 3.75Å; Y121-I182 HydrophobicContact CG-CD1 4.32Å; Q178-I182 PolarHBondContact O-N 3.25Å; L179-I182 HydrophobicContact CD2-CD1 4.46Å; L179-I182 PolarHBondContact O-N 3.09Å; I182-Q184 PolarHBondContact O-N 3.12Å; I182-Q185 WeakPolarHBondContact O-CB 3.15Å; I182-Q185 PolarHBondContact O-N 3.38Å; I182-Q185 VanDerWaalsContact O-N 3.1Å; I182-I186 HydrophobicContact CG2-CD1 3.83Å; I182-I186 WeakPolarHBondContact O-CG1 3.34Å; I182-I186 PolarHBondContact O-N 3.32Å; I182-I186 VanDerWaalsContact O-N 3.12Å
183G91.3Very high81Confident0 Ų085.6 Ų85.60%042%0.423CS..Hα-helixtrans-63.1-38.9178.600000113.5M113 I151 L179 E180 Q185 I186 D187M113-G183 WeakPolarHBondContact CE-O 3.16Å; I151-G183 VanDerWaalsContact CD1-C 3.44Å; I151-G183 VanDerWaalsContact CD1-CA 3.42Å; L179-G183 PolarHBondContact O-N 3.45Å; E180-G183 PolarHBondContact O-N 3.36Å; G183-Q185 PolarHBondContact O-N 2.69Å; G183-I186 PolarHBondContact O-N 2.86Å; G183-I186 VanDerWaalsContact O-N 3.14Å; G183-D187 WeakPolarHBondContact O-CB 3.44Å; G183-D187 PolarHBondContact O-N 3.41Å
184Q91.7Very high78.5Confident81 Ų8188.4 Ų88.438%0.37945%0.451SS..Hα-helixtrans-63-28.6174-75.11730.700113.2I151 E180 I182 R188I151-Q184 HydrophobicContact CG1-CG 4.39Å; E180-Q184 WeakPolarHBondContact O-CB 3.44Å; E180-Q184 VanDerWaalsContact O-CG 3.27Å; E180-Q184 WeakPolarHBondContact O-CG 3.49Å; E180-Q184 PolarHBondContact O-N 3.35Å; I182-Q184 PolarHBondContact O-N 3.12Å; Q184-R188 WeakPolarHBondContact O-CD 3.38Å; Q184-R188 VanDerWaalsContact O-CG 3.22Å; Q184-R188 WeakPolarHBondContact O-CG 3.48Å; Q184-R188 PolarHBondContact O-N 3.08Å
185Q89.7Confident75.8Confident135 Ų13584.4 Ų84.463%0.63146%0.458SS*.Hα-helixtrans-73.1-39.5173.5-68.4169.818.600111.1K181 I182 G183K181-Q185 WeakPolarHBondContact O-CG 3.44Å; K181-Q185 PolarHBondContact O-N 2.81Å; I182-Q185 WeakPolarHBondContact O-CB 3.15Å; I182-Q185 PolarHBondContact O-N 3.38Å; I182-Q185 VanDerWaalsContact O-N 3.1Å; G183-Q185 PolarHBondContact O-N 2.69Å
186I88.4Confident73.2Confident34 Ų3488.5 Ų88.517%0.17449%0.485CS..Hα-helixtrans-69.8-38.1178.7-63.3162.6000111.9M113 K116 I117 I182 G183 R188 E189M113-I186 HydrophobicContact CE-CB 3.7Å; M113-I186 HydrophobicContact CE-CG2 3.74Å; M113-I186 HydrophobicContact SD-CG2 3.96Å; K116-I186 HydrophobicContact CB-CD1 4.17Å; K116-I186 HydrophobicContact CB-CG2 4.27Å; K116-I186 HydrophobicContact CD-CG2 3.95Å; I117-I186 HydrophobicContact CG1-CD1 4.05Å; I182-I186 HydrophobicContact CG2-CD1 3.83Å; I182-I186 WeakPolarHBondContact O-CG1 3.34Å; I182-I186 PolarHBondContact O-N 3.32Å; I182-I186 VanDerWaalsContact O-N 3.12Å; G183-I186 PolarHBondContact O-N 2.86Å; G183-I186 VanDerWaalsContact O-N 3.14Å; I186-R188 VanDerWaalsContact C-N 3.31Å; I186-R188 PolarHBondContact O-N 3.48Å; I186-E189 WeakPolarHBondContact O-CB 3.46Å; I186-E189 PolarHBondContact O-N 3.3Å
187D82.6Confident70.5Confident77 Ų7794.2 Ų94.241%0.41252%0.522SS..Hα-helixtrans-73.2-23.8-178.3-171.864.7000113.1M113 I151 G183 E189 P190M113-D187 HydrophobicContact CE-CB 4.1Å; I151-D187 HydrophobicContact CG2-CB 3.68Å; G183-D187 WeakPolarHBondContact O-CB 3.44Å; G183-D187 PolarHBondContact O-N 3.41Å; D187-E189 VanDerWaalsContact C-N 3.29Å; D187-P190 WeakPolarHBondContact O-CD 3.36Å
188R77.6Confident67.9Low182 Ų18298 Ų9869%0.68753%0.532SS*.THydrogen-bonded Turntrans-79.1-10.4174.1-72175.1-176.1-167.70113.6Q184 I186Q184-R188 WeakPolarHBondContact O-CD 3.38Å; Q184-R188 VanDerWaalsContact O-CG 3.22Å; Q184-R188 WeakPolarHBondContact O-CG 3.48Å; Q184-R188 PolarHBondContact O-N 3.08Å; I186-R188 VanDerWaalsContact C-N 3.31Å; I186-R188 PolarHBondContact O-N 3.48Å
189E57.2Low65.2Low167 Ų167103.9 Ų103.978%0.7856%0.556SS**THydrogen-bonded Turntrans-82.1-0-175.2-96.4-113.2141.200117.9I186 D187 G191I186-E189 WeakPolarHBondContact O-CB 3.46Å; I186-E189 PolarHBondContact O-N 3.3Å; D187-E189 VanDerWaalsContact C-N 3.29Å; E189-G191 PolarHBondContact O-N 3.04Å
190P52.5Low62.5Low110 Ų110112.4 Ų112.471%0.71459%0.594SS**THydrogen-bonded Turntrans-96.882.717034.7-24.6000110.4D187D187-P190 WeakPolarHBondContact O-CD 3.36Å
191G48.4Very low59.6Low75 Ų75119.3 Ų119.377%0.77362%0.623SS**THydrogen-bonded Turntrans105.58.7151.400000119.1E189E189-G191 PolarHBondContact O-N 3.04Å
192D41.3Very low56.7Low137 Ų137122 Ų12273%0.73363%0.634SS**  trans-148.6145.7171-136.4-16.9000113.1
193L40.7Very low53.8Low125 Ų125127.6 Ų127.665%0.65466%0.663SS**  trans9291.1174.3-49.1175.5000116.7A195L193-A195 PolarHBondContact O-N 3.33Å
194A41.3Very low50.9Low97 Ų97133.2 Ų133.280%0.80270%0.697SS**SBend-8119.7113.400000113.1
195A37.2Very low48.1Very low100 Ų100135.5 Ų135.583%0.82672%0.716SS**  trans-45.1125.2-172.800000114.5L193L193-A195 PolarHBondContact O-N 3.33Å
196P39.4Very low45.2Very low97 Ų97137.9 Ų137.963%0.6373%0.727SS**  trans-85.4153.216130.3-24.6000110.5R198P196-R198 PolarHBondContact O-N 3.41Å
197P36.7Very low42.8Very low120 Ų120140.4 Ų140.478%0.77975%0.754SS**  trans-70.7126.7-160.928-33.3000111.1K199P197-K199 PolarHBondContact O-N 3.39Å
198R40.5Very low40.3Very low223 Ų223142.9 Ų142.984%0.84277%0.774SS**  trans-50.4106.1161.1-70.1178172-173.9-2.6107.9P196 K200P196-R198 PolarHBondContact O-N 3.41Å; R198-K200 HydrophobicContact CB-CG 4.36Å; R198-K200 PolarHBondContact O-N 2.82Å
199K37.2Very low38.2Very low208 Ų208138.4 Ų138.490%0.90478%0.776SS**  trans-67.681.7158.8-73.1-167.2179.7-1750107.3P197 K201P197-K199 PolarHBondContact O-N 3.39Å; K199-K201 PolarHBondContact O-N 3.07Å
200K38.2Very low37.3Very low179 Ų179139.4 Ų139.478%0.77878%0.777SS**  trans-54.6109.3163.6-67.1-180179.5179.40105.9R198 K202R198-K200 HydrophobicContact CB-CG 4.36Å; R198-K200 PolarHBondContact O-N 2.82Å; K200-K202 PolarHBondContact O-N 3.16Å; K200-K202 VanDerWaalsContact O-N 3.1Å
201K34.2Very low36.4Very low191 Ų191141.2 Ų141.283%0.8378%0.776SS**  trans-56.9116.2153.9-76.8-177.7175.4-175.40105.1K199 I203K199-K201 PolarHBondContact O-N 3.07Å; K201-I203 PolarHBondContact O-N 2.66Å
202K31.2Very low36Very low197 Ų197147.3 Ų147.386%0.85779%0.787SS**  trans-65.388.6174.6-165.2177.1-175.7-177.80106.8K200K200-K202 PolarHBondContact O-N 3.16Å; K200-K202 VanDerWaalsContact O-N 3.1Å
203I32.6Very low35.5Very low145 Ų145148.5 Ų148.574%0.74479%0.786SS**  trans-94.8108159.2-65.5170.9000103.6K201 V205K201-I203 PolarHBondContact O-N 2.66Å; I203-V205 PolarHBondContact O-N 3.04Å
204V30.9Very low35.5Very low117 Ų117152.5 Ų152.571%0.70980%0.798SS**  trans-55.3123.6165.7166.40000106.5E206V204-E206 PolarHBondContact O-N 2.82Å
205V32.5Very low35.1Very low129 Ų129154 Ų15478%0.78280%0.797SS**  trans-66.4118.6173.5171.10000107.4I203I203-V205 PolarHBondContact O-N 3.04Å
206E28.3Very low34.8Very low185 Ų185157.9 Ų157.986%0.86480%0.798SS**  trans-139.3110.9141-136.1178.5-176.100106.9V204V204-E206 PolarHBondContact O-N 2.82Å
207A38.2Very low34.7Very low88 Ų88161.9 Ų161.973%0.72781%0.808SS**PPolyproline II helixtrans-82.2133.6176.400000108.8
208P30.9Very low34.4Very low129 Ų129164.4 Ų164.484%0.83881%0.812SS**PPolyproline II helixtrans-102116156.626.7-12.4000108.9
209A33.7Very low34.1Very low87 Ų87159.6 Ų159.672%0.71981%0.809SS**PPolyproline II helixtrans-70.6145.8159.600000109.9
210K37.8Very low33.8Very low189 Ų189159 Ų15982%0.82281%0.809SS**  trans60.9112.9149.3-71.4-175.3178.8-176.20118.5
211E32.3Very low33.8Very low148 Ų148159.6 Ų159.669%0.69281%0.812SS**  148.7119.4117.4-89.3166.6-159.800110.9K213E211-K213 VanDerWaalsContact C-N 3.27Å; E211-K213 PolarHBondContact O-N 3.29Å
212M41.3Very low33.9Very low202 Ų202156.1 Ų156.1100%0.99581%0.809SS**  trans-63.990.2163.2-72.4171.6159.200108.4
213K30.6Very low34.3Very low162 Ų162156.3 Ų156.370%0.70481%0.813SS**  trans-91.8108162.8-79.5-178.7-179.3173.40108.8E211 V215E211-K213 VanDerWaalsContact C-N 3.27Å; E211-K213 PolarHBondContact O-N 3.29Å; K213-V215 PolarHBondContact O-N 3.17Å
214K40.7Very low34.8Very low210 Ų210158.2 Ų158.291%0.91382%0.816SS**  trans-49.3111.7159.6-169.1177.9-177.2-173.50107.7
215V32.3Very low35.4Very low129 Ų129158.4 Ų158.478%0.78281%0.813SS**  trans-121.5128.1169.1177.10000107.2K213K213-V215 PolarHBondContact O-N 3.17Å
216E32.4Very low36.1Very low181 Ų181159.6 Ų159.685%0.84681%0.81SS**  trans-60.3149.7-176.1-73164.3138.500113.5
217E37.1Very low37.1Very low181 Ų181157.3 Ų157.385%0.84680%0.803SS**  trans-21.3116.4160.6-168.2172.8-175.900116.9
218M30.3Very low37.8Very low173 Ų173159.1 Ų159.185%0.85280%0.8SS**  trans-138.7129.3146.6-83.5-175.165.100109.6H220M218-H220 PolarHBondContact O-N 3.13Å
219P32.8Very low39Very low121 Ų121157 Ų15779%0.78679%0.785SS**  trans-77.2116.9-177.9-6.122.2000111.1K221P219-K221 PolarHBondContact O-N 3.07Å
220H32.4Very low40.1Very low195 Ų195159.1 Ų159.190%0.90378%0.78SS**  trans-72113.2167.7-94.1-56.9000110.4M218M218-H220 PolarHBondContact O-N 3.13Å
221K36.5Very low41.5Very low192 Ų192155.5 Ų155.584%0.83577%0.77SS**PPolyproline II helixtrans-64.7137.8166.3-79.5176.9177.1174.50109.9P219 Q223P219-K221 PolarHBondContact O-N 3.07Å; K221-Q223 PolarHBondContact O-N 2.68Å
222P37.6Very low43.3Very low119 Ų119155 Ų15577%0.77376%0.762SS**PPolyproline II helixtrans-67.1131.9174.926-31000110.5K224P222-K224 PolarHBondContact O-N 2.88Å
223Q38.9Very low45.1Very low200 Ų200149.7 Ų149.794%0.93574%0.735SS**PPolyproline II helixtrans-59.1121.5172.6-70.7178.7-74.700109.2K221K221-Q223 PolarHBondContact O-N 2.68Å
224K42.8Very low47.3Very low185 Ų185148.2 Ų148.280%0.80473%0.731SS**PPolyproline II helixtrans-83138.5167.7-86.9-179.6170.9-177.70108.3P222 E226P222-K224 PolarHBondContact O-N 2.88Å; K224-E226 VanDerWaalsContact C-N 3.3Å; K224-E226 PolarHBondContact O-N 2.88Å
225D44.6Very low49.1Very low121 Ų121145.3 Ų145.365%0.64771%0.714SS**  trans-61.188.7168.4-77.5-51.6000110.1D227 L228 T229D225-D227 PolarHBondContact O-N 3.13Å; D225-L228 HydrophobicContact CB-CD1 4.25Å; D225-T229 PolarHBondContact O-OG1 3.35Å; D225-T229 VanDerWaalsContact O-OG1 3.13Å
226E47.2Very low51.3Low155 Ų155143.3 Ų143.372%0.72470%0.695SS**Hα-helixtrans-65.7-22175.9-69.4-179.4166.900111.9K224 T229 Q230K224-E226 VanDerWaalsContact C-N 3.3Å; K224-E226 PolarHBondContact O-N 2.88Å; E226-T229 PolarHBondContact O-N 3.49Å; E226-Q230 PolarHBondContact O-N 3.49Å
227D49.8Very low53.6Low136 Ų136142.8 Ų142.873%0.72769%0.685SS**Hα-helixtrans-71.1-34.9-177.5-152.630000113.1D225D225-D227 PolarHBondContact O-N 3.13Å
228L51Low55.7Low126 Ų126141 Ų14166%0.6668%0.675SS**Hα-helixtrans-79.8-19.5176.4-72.5168.6000113.2D225D225-L228 HydrophobicContact CB-CD1 4.25Å
229T57.7Low58.1Low86 Ų86136.8 Ų136.853%0.52866%0.655SS.*Hα-helixtrans-83.1-31.1-174.5-41.10000111.2D225 E226 E233D225-T229 PolarHBondContact O-OG1 3.35Å; D225-T229 VanDerWaalsContact O-OG1 3.13Å; E226-T229 PolarHBondContact O-N 3.49Å; T229-E233 PolarHBondContact O-N 3.37Å
230Q55.5Low60.3Low130 Ų130136.2 Ų136.261%0.60765%0.645SS**Hα-helixtrans-68.4-42.3176.8-73.3179.7-1600112.1E226 Y232 E233 E234E226-Q230 PolarHBondContact O-N 3.49Å; Q230-Y232 VanDerWaalsContact C-N 3.3Å; Q230-Y232 PolarHBondContact O-N 3.28Å; Q230-E233 PolarHBondContact O-N 3.34Å; Q230-E234 PolarHBondContact O-N 3.07Å; Q230-E234 VanDerWaalsContact O-N 3.12Å
231D67.6Low62.6Low113 Ų113132.6 Ų132.660%0.60463%0.628SS**Hα-helixtrans-65.3-33.3-177.5-154.425.5000112.3W235D231-W235 VanDerWaalsContact O-CB 3.28Å; D231-W235 WeakPolarHBondContact O-CB 3.25Å; D231-W235 PolarHBondContact O-N 3.12Å
232Y70.4Confident64.4Low137 Ų137128 Ų12854%0.53761%0.613SS.*Hα-helixtrans-70.4-41.6175.9-177.3-99.5000113.3Q230 W235 K236Q230-Y232 VanDerWaalsContact C-N 3.3Å; Q230-Y232 PolarHBondContact O-N 3.28Å; Y232-W235 HydrophobicContact CD2-CE3 4.39Å; Y232-W235 HydrophobicContact CE2-CE3 4.27Å; Y232-W235 HydrophobicContact CE2-CZ3 4.2Å; Y232-K236 HydrophobicContact CE1-CD 4.31Å; Y232-K236 VanDerWaalsContact O-CB 3.25Å; Y232-K236 WeakPolarHBondContact O-CB 3.42Å; Y232-K236 PolarHBondContact O-N 3.36Å
233E79.2Confident66.2Low92 Ų92124.6 Ų124.643%0.4360%0.595SS.*Hα-helixtrans-70.5-35.8-179.6-73.5-63.8156.200111.9T229 Q230 R237T229-E233 PolarHBondContact O-N 3.37Å; Q230-E233 PolarHBondContact O-N 3.34Å; E233-R237 WeakPolarHBondContact O-CB 3.28Å; E233-R237 PolarHBondContact O-N 3.47Å
234E76.3Confident68Low130 Ų130117.1 Ų117.161%0.60757%0.567SS**Hα-helixtrans-67.9-45.1173.8-70.6-168.3171.700111.9Q230 K236 R237 K238Q230-E234 PolarHBondContact O-N 3.07Å; Q230-E234 VanDerWaalsContact O-N 3.12Å; E234-K236 PolarHBondContact O-N 2.91Å; E234-R237 PolarHBondContact O-N 3.01Å; E234-K238 WeakPolarHBondContact O-CB 3.5Å; E234-K238 PolarHBondContact O-N 3.08Å; E234-K238 VanDerWaalsContact O-N 3.08Å
235W79.6Confident69.5Low149 Ų149112.1 Ų112.156%0.56455%0.549SS*.Hα-helixtrans-59.1-46174.3176.582.7000112D231 Y232 R237 K238 I239D231-W235 VanDerWaalsContact O-CB 3.28Å; D231-W235 WeakPolarHBondContact O-CB 3.25Å; D231-W235 PolarHBondContact O-N 3.12Å; Y232-W235 HydrophobicContact CD2-CE3 4.39Å; Y232-W235 HydrophobicContact CE2-CE3 4.27Å; Y232-W235 HydrophobicContact CE2-CZ3 4.2Å; W235-R237 PolarHBondContact O-N 3.26Å; W235-K238 PolarHBondContact O-N 3.45Å; W235-I239 HydrophobicContact CD2-CG1 4.14Å; W235-I239 HydrophobicContact CH2-CG1 4.35Å; W235-I239 HydrophobicContact CZ2-CD1 4.27Å; W235-I239 HydrophobicContact CZ2-CG1 3.82Å; W235-I239 WeakPolarHBondContact O-CG1 3.48Å; W235-I239 PolarHBondContact O-N 3.03Å
236K77.3Confident70.7Confident87 Ų87109.1 Ų109.138%0.37854%0.541SS..Hα-helixtrans-61.5-43178.8-179.4-176.9173.1-167.50112.1Y232 E234 K238 I239 L240Y232-K236 HydrophobicContact CE1-CD 4.31Å; Y232-K236 VanDerWaalsContact O-CB 3.25Å; Y232-K236 WeakPolarHBondContact O-CB 3.42Å; Y232-K236 PolarHBondContact O-N 3.36Å; E234-K236 PolarHBondContact O-N 2.91Å; K236-K238 VanDerWaalsContact C-N 3.32Å; K236-K238 PolarHBondContact O-N 3.48Å; K236-I239 PolarHBondContact O-N 3.04Å; K236-L240 HydrophobicContact CG-CD1 4.12Å; K236-L240 WeakPolarHBondContact O-CG 3.42Å; K236-L240 PolarHBondContact O-N 3.37Å; K236-L240 VanDerWaalsContact O-N 3.08Å
237R81.7Confident71.7Confident171 Ų171108.4 Ų108.465%0.64554%0.537SS*.Hα-helixtrans-61.3-43.9177.7-155.9-175.9-55.8170.65.9110.8E233 E234 W235 L240 E241E233-R237 WeakPolarHBondContact O-CB 3.28Å; E233-R237 PolarHBondContact O-N 3.47Å; E234-R237 PolarHBondContact O-N 3.01Å; W235-R237 PolarHBondContact O-N 3.26Å; R237-L240 PolarHBondContact O-N 3.39Å; R237-E241 WeakPolarHBondContact O-CB 3.42Å; R237-E241 PolarHBondContact O-N 3Å
238K80Confident72.6Confident143 Ų143109 Ų10962%0.62253%0.534SS*.Hα-helixtrans-64.4-39.6178.8-166.4170.6-173.7172.90113.1E234 W235 K236 N242E234-K238 WeakPolarHBondContact O-CB 3.5Å; E234-K238 PolarHBondContact O-N 3.08Å; E234-K238 VanDerWaalsContact O-N 3.08Å; W235-K238 PolarHBondContact O-N 3.45Å; K236-K238 VanDerWaalsContact C-N 3.32Å; K236-K238 PolarHBondContact O-N 3.48Å; K238-N242 WeakPolarHBondContact O-CB 3.45Å; K238-N242 PolarHBondContact O-N 3.42Å; K238-N242 VanDerWaalsContact O-N 3.09Å
239I81.8Confident73.1Confident85 Ų85106.6 Ų106.644%0.43653%0.532SS..Hα-helixtrans-66.8-43.7176.4-67.8-64.8000111.5W235 K236 N242 A243W235-I239 HydrophobicContact CD2-CG1 4.14Å; W235-I239 HydrophobicContact CH2-CG1 4.35Å; W235-I239 HydrophobicContact CZ2-CD1 4.27Å; W235-I239 HydrophobicContact CZ2-CG1 3.82Å; W235-I239 WeakPolarHBondContact O-CG1 3.48Å; W235-I239 PolarHBondContact O-N 3.03Å; K236-I239 PolarHBondContact O-N 3.04Å; I239-N242 PolarHBondContact O-N 3.5Å; I239-A243 WeakPolarHBondContact O-CB 3.42Å; I239-A243 PolarHBondContact O-N 3.08Å
240L79.2Confident73.2Confident109 Ų109108.2 Ų108.257%0.57154%0.542SS*.Hα-helixtrans-66.5-39.1179.7-72.6170.9000112.3K236 R237 A243 A244K236-L240 HydrophobicContact CG-CD1 4.12Å; K236-L240 WeakPolarHBondContact O-CG 3.42Å; K236-L240 PolarHBondContact O-N 3.37Å; K236-L240 VanDerWaalsContact O-N 3.08Å; R237-L240 PolarHBondContact O-N 3.39Å; L240-A243 PolarHBondContact O-N 2.98Å; L240-A244 WeakPolarHBondContact O-CB 3.42Å; L240-A244 PolarHBondContact O-N 3.09Å
241E79.7Confident73.3Confident118 Ų118106.1 Ų106.155%0.55155%0.547SS*.Hα-helixtrans-68.2-42.3177.6-171.7169.3-156.600112.1R237 A243 A244 N245R237-E241 WeakPolarHBondContact O-CB 3.42Å; R237-E241 PolarHBondContact O-N 3Å; E241-A243 VanDerWaalsContact C-N 3.33Å; E241-A243 PolarHBondContact O-N 2.89Å; E241-A244 PolarHBondContact O-N 3.29Å; E241-N245 WeakPolarHBondContact O-CB 3.3Å; E241-N245 VanDerWaalsContact O-CG 3.25Å; E241-N245 PolarHBondContact O-N 3.37Å; E241-N245 PolarHBondContact O-ND2 3.43Å
242N75.4Confident72.3Confident97 Ų97112.5 Ų112.552%0.51957%0.573SS.*Hα-helixtrans-61.5-40.6173.8-80.8-11.6000112.3K238 I239 A246K238-N242 WeakPolarHBondContact O-CB 3.45Å; K238-N242 PolarHBondContact O-N 3.42Å; K238-N242 VanDerWaalsContact O-N 3.09Å; I239-N242 PolarHBondContact O-N 3.5Å; N242-A246 VanDerWaalsContact O-CB 3.3Å; N242-A246 WeakPolarHBondContact O-CB 3.39Å; N242-A246 PolarHBondContact O-N 2.93Å
243A75.6Confident72.4Confident47 Ų47111.3 Ų111.339%0.38858%0.575SS.*Hα-helixtrans-65.8-42.2176.500000112I239 L240 E241 A246 Q247I239-A243 WeakPolarHBondContact O-CB 3.42Å; I239-A243 PolarHBondContact O-N 3.08Å; L240-A243 PolarHBondContact O-N 2.98Å; E241-A243 VanDerWaalsContact C-N 3.33Å; E241-A243 PolarHBondContact O-N 2.89Å; A243-A246 PolarHBondContact O-N 2.68Å; A243-Q247 WeakPolarHBondContact O-CG 3.4Å; A243-Q247 PolarHBondContact O-N 3.02Å
244A76.1Confident72.1Confident42 Ų42112.3 Ų112.335%0.34758%0.582SS.*Hα-helixtrans-65.9-40.1177.200000112.2L240 E241 Q247 K248L240-A244 WeakPolarHBondContact O-CB 3.42Å; L240-A244 PolarHBondContact O-N 3.09Å; E241-A244 PolarHBondContact O-N 3.29Å; A244-Q247 PolarHBondContact O-N 3.31Å; A244-K248 WeakPolarHBondContact O-CG 3.38Å; A244-K248 PolarHBondContact O-N 3.03Å
245N73.5Confident71.8Confident80 Ų80111.3 Ų111.343%0.42858%0.581SS.*Hα-helixtrans-68.7-37176.2-69.9-19.4000111.8E241 Q247 K248 A249E241-N245 WeakPolarHBondContact O-CB 3.3Å; E241-N245 VanDerWaalsContact O-CG 3.25Å; E241-N245 PolarHBondContact O-N 3.37Å; E241-N245 PolarHBondContact O-ND2 3.43Å; N245-Q247 VanDerWaalsContact C-N 3.34Å; N245-K248 PolarHBondContact O-N 2.92Å; N245-A249 WeakPolarHBondContact O-CB 3.41Å; N245-A249 PolarHBondContact O-N 3.3Å
246A69.4Low71.4Confident58 Ų58109.1 Ų109.148%0.47958%0.582SS.*Hα-helixtrans-64.2-38.1173.700000112.2N242 A243 A249 T250N242-A246 VanDerWaalsContact O-CB 3.3Å; N242-A246 WeakPolarHBondContact O-CB 3.39Å; N242-A246 PolarHBondContact O-N 2.93Å; A243-A246 PolarHBondContact O-N 2.68Å; A246-A249 PolarHBondContact O-N 3.21Å; A246-T250 PolarHBondContact O-N 3.46Å; A246-T250 PolarHBondContact O-OG1 3.39Å
247Q69Low71Confident140 Ų140110.4 Ų110.465%0.65460%0.595SS**Hα-helixtrans-68.4-36.2174.4-73179.86.700112.7A243 A244 N245 T250 A251A243-Q247 WeakPolarHBondContact O-CG 3.4Å; A243-Q247 PolarHBondContact O-N 3.02Å; A244-Q247 PolarHBondContact O-N 3.31Å; N245-Q247 VanDerWaalsContact C-N 3.34Å; Q247-T250 WeakPolarHBondContact CA-OG1 3.46Å; Q247-T250 PolarHBondContact O-N 3.39Å; Q247-T250 PolarHBondContact O-OG1 3.38Å; Q247-A251 WeakPolarHBondContact O-CB 3.48Å; Q247-A251 PolarHBondContact O-N 3.38Å
248K67.9Low70.3Confident149 Ų149106.4 Ų106.465%0.64859%0.591SS**Hα-helixtrans-69.2-37.4174.1-71.9177.6-178.6179.70112.2A244 N245 T250 A251A244-K248 WeakPolarHBondContact O-CG 3.38Å; A244-K248 PolarHBondContact O-N 3.03Å; N245-K248 PolarHBondContact O-N 2.92Å; K248-T250 VanDerWaalsContact C-N 3.27Å; K248-T250 PolarHBondContact O-N 3.47Å; K248-A251 PolarHBondContact O-N 3.32Å
249A62.5Low69.6Low75 Ų75103.8 Ų103.862%0.6259%0.589SS**THydrogen-bonded Turntrans-74.9-10.3177.200000114.5N245 A246N245-A249 WeakPolarHBondContact O-CB 3.41Å; N245-A249 PolarHBondContact O-N 3.3Å; A246-A249 PolarHBondContact O-N 3.21Å
250T59.3Low68.7Low120 Ų120105.2 Ų105.274%0.73660%0.601SS**THydrogen-bonded Turntrans-103-1.617331.20000113A246 Q247 K248A246-T250 PolarHBondContact O-N 3.46Å; A246-T250 PolarHBondContact O-OG1 3.39Å; Q247-T250 WeakPolarHBondContact CA-OG1 3.46Å; Q247-T250 PolarHBondContact O-N 3.39Å; Q247-T250 PolarHBondContact O-OG1 3.38Å; K248-T250 VanDerWaalsContact C-N 3.27Å; K248-T250 PolarHBondContact O-N 3.47Å
251A57.3Low67.8Low87 Ų87104.9 Ų104.972%0.71960%0.603SS**  trans-109.98.4178.400000113.3Q247 K248Q247-A251 WeakPolarHBondContact O-CB 3.48Å; Q247-A251 PolarHBondContact O-N 3.38Å; K248-A251 PolarHBondContact O-N 3.32Å
252E47.7Very low66.7Low246 Ų246103.7 Ų103.7100%1.1561%0.608SS**  trans-106.20164.5-81.6-173.515800111

Retrieved 252 of 252 residues in 46.6 ms (Link to these results)

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