A0A5K4F4D1_SCHMA Loading...

ACB domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F4D1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 90 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
1M62.4Low91.2Very high219 Ų21967.9 Ų67.9100%1.07935%0.349SS*.  0133.70-80166.4169.200107.6I3M1-I3 PolarHBondContact O-N 2.76Å
2D88.7Confident91.4Very high76 Ų7670.6 Ų70.641%0.40636%0.359SS..  trans-85107.9177.2177.8-2.3000108.8T4 K5 E6D2-T4 PolarHBondContact O-N 3.49Å; D2-T4 VanDerWaalsContact OD1-CB 3.23Å; D2-T4 WeakPolarHBondContact OD1-CB 3.48Å; D2-T4 PolarHBondContact OD1-N 3.13Å; D2-T4 PolarHBondContact OD1-OG1 2.98Å; D2-K5 HydrophobicContact CB-CB 4.32Å; D2-K5 HydrophobicContact CB-CD 4.07Å; D2-K5 HydrophobicContact CB-CG 4.16Å; D2-K5 PolarHBondContact O-N 2.88Å; D2-K5 VanDerWaalsContact O-N 3.15Å; D2-K5 WeakPolarHBondContact OD2-CE 3.42Å; D2-K5 WeakPolarHBondContact OD2-CG 3.13Å; D2-E6 PolarHBondContact O-N 2.87Å
3I91.9Very high91.6Very high39 Ų3970.8 Ų70.820%0.236%0.356CS..Hα-helixtrans-61.5-25.2-177.8-17156.8000112.4M1 E6 F7 K72 K73 V76M1-I3 PolarHBondContact O-N 2.76Å; I3-E6 HydrophobicContact CD1-CB 4.42Å; I3-E6 PolarHBondContact O-N 3.2Å; I3-F7 VanDerWaalsContact O-CB 3.24Å; I3-F7 WeakPolarHBondContact O-CB 3.49Å; I3-F7 PolarHBondContact O-N 3.26Å; I3-K72 HydrophobicContact CG1-CB 3.75Å; I3-K72 HydrophobicContact CG2-CD 4.31Å; I3-K73 HydrophobicContact CD1-CB 4.38Å; I3-V76 HydrophobicContact CD1-CB 4.37Å; I3-V76 HydrophobicContact CD1-CG2 3.98Å
4T92.7Very high91.7Very high50 Ų5067.3 Ų67.331%0.30734%0.34SS..Hα-helixtrans-67.6-45.5176.6-51.50000110.7D2 E6 F7 D8 K72D2-T4 PolarHBondContact O-N 3.49Å; D2-T4 VanDerWaalsContact OD1-CB 3.23Å; D2-T4 WeakPolarHBondContact OD1-CB 3.48Å; D2-T4 PolarHBondContact OD1-N 3.13Å; D2-T4 PolarHBondContact OD1-OG1 2.98Å; T4-E6 VanDerWaalsContact C-N 3.33Å; T4-E6 PolarHBondContact O-N 3.19Å; T4-F7 WeakPolarHBondContact O-CB 3.35Å; T4-F7 PolarHBondContact O-N 3.32Å; T4-D8 PolarHBondContact O-N 2.82Å; T4-K72 PolarHBondContact OG1-NZ 3.25Å
5K94.9Very high91.7Very high151 Ų15172.5 Ų72.566%0.65736%0.36SS*.Hα-helixtrans-62.7-40.5175.8-69.5178.6-171.7-179.70112.2D2 S9D2-K5 HydrophobicContact CB-CB 4.32Å; D2-K5 HydrophobicContact CB-CD 4.07Å; D2-K5 HydrophobicContact CB-CG 4.16Å; D2-K5 PolarHBondContact O-N 2.88Å; D2-K5 VanDerWaalsContact O-N 3.15Å; D2-K5 WeakPolarHBondContact OD2-CE 3.42Å; D2-K5 WeakPolarHBondContact OD2-CG 3.13Å; K5-S9 VanDerWaalsContact O-CB 3.26Å; K5-S9 WeakPolarHBondContact O-CB 3.18Å; K5-S9 PolarHBondContact O-N 2.94Å
6E94.9Very high91.7Very high45 Ų4575.4 Ų75.421%0.2137%0.369CS..Hα-helixtrans-64.3-44.2174.4-77.1-169.1-106.600111.3D2 I3 T4 S9 H10 V76 K80D2-E6 PolarHBondContact O-N 2.87Å; I3-E6 HydrophobicContact CD1-CB 4.42Å; I3-E6 PolarHBondContact O-N 3.2Å; T4-E6 VanDerWaalsContact C-N 3.33Å; T4-E6 PolarHBondContact O-N 3.19Å; E6-S9 PolarHBondContact O-N 2.83Å; E6-H10 WeakPolarHBondContact O-CB 3.42Å; E6-H10 PolarHBondContact O-N 3.49Å; E6-H10 PolarHBondContact O-ND1 3.42Å; E6-V76 HydrophobicContact CB-CG1 4.28Å; E6-V76 HydrophobicContact CB-CG2 3.93Å; E6-K80 IonicContact OE2-NZ 2.74Å; E6-K80 PolarHBondContact OE2-NZ 2.92Å
7F96.5Very high91.8Very high4 Ų471.9 Ų71.92%0.01835%0.352CS..Hα-helixtrans-57.3-51.8177.1170.5-98.9000111.7I3 T4 S9 H10 A11 Y33 A36 T37 K72 Y75 V76I3-F7 VanDerWaalsContact O-CB 3.24Å; I3-F7 WeakPolarHBondContact O-CB 3.49Å; I3-F7 PolarHBondContact O-N 3.26Å; T4-F7 WeakPolarHBondContact O-CB 3.35Å; T4-F7 PolarHBondContact O-N 3.32Å; F7-S9 PolarHBondContact O-N 2.95Å; F7-H10 PolarHBondContact O-N 2.66Å; F7-A11 VanDerWaalsContact O-CB 3.27Å; F7-A11 WeakPolarHBondContact O-CB 3.47Å; F7-A11 PolarHBondContact O-N 3.24Å; F7-Y33 HydrophobicContact CE1-CD2 4.14Å; F7-Y33 AromaticContact CE1-CE2 3.98Å; F7-Y33 HydrophobicContact CE1-CE2 3.98Å; F7-Y33 AromaticContact CE2-CD2 3.94Å; F7-Y33 HydrophobicContact CE2-CD2 3.94Å; F7-Y33 AromaticContact CZ-CD2 3.3Å; F7-Y33 HydrophobicContact CZ-CD2 3.3Å; F7-Y33 AromaticContact CZ-CE2 3.6Å; F7-Y33 HydrophobicContact CZ-CE2 3.6Å; F7-Y33 HydrophobicContact CZ-CG 4.11Å; F7-A36 HydrophobicContact CD2-CB 4.46Å; F7-A36 HydrophobicContact CE2-CB 3.79Å; F7-A36 HydrophobicContact CZ-CB 3.86Å; F7-T37 HydrophobicContact CE1-CG2 3.99Å; F7-T37 HydrophobicContact CZ-CG2 3.98Å; F7-K72 HydrophobicContact CB-CB 4.12Å; F7-K72 HydrophobicContact CB-CD 4.41Å; F7-K72 HydrophobicContact CB-CG 4.05Å; F7-K72 HydrophobicContact CD1-CG 4.38Å; F7-K72 HydrophobicContact CD2-CB 4.17Å; F7-K72 HydrophobicContact CD2-CG 3.96Å; F7-K72 HydrophobicContact CE2-CG 4.5Å; F7-K72 HydrophobicContact CG-CB 4.29Å; F7-K72 HydrophobicContact CG-CG 3.88Å; F7-Y75 AromaticContact CD2-CD1 3.49Å; F7-Y75 HydrophobicContact CD2-CD1 3.49Å; F7-Y75 VanDerWaalsContact CD2-CD1 3.49Å; F7-Y75 HydrophobicContact CD2-CE1 4.19Å; F7-Y75 AromaticContact CD2-CG 3.72Å; F7-Y75 HydrophobicContact CD2-CG 3.72Å; F7-Y75 AromaticContact CE2-CD1 3.64Å; F7-Y75 HydrophobicContact CE2-CD1 3.64Å; F7-Y75 AromaticContact CE2-CD2 3.97Å; F7-Y75 HydrophobicContact CE2-CD2 3.97Å; F7-Y75 HydrophobicContact CE2-CE1 4.13Å; F7-Y75 HydrophobicContact CE2-CE2 4.42Å; F7-Y75 AromaticContact CE2-CG 3.55Å; F7-Y75 HydrophobicContact CE2-CG 3.55Å; F7-V76 HydrophobicContact CB-CG2 4.16Å
8D95Very high91.8Very high87 Ų8775 Ų7547%0.46536%0.364SS..Hα-helixtrans-62.4-44.7-179.8-63.8-31000111.1T4 H10 A11 E12T4-D8 PolarHBondContact O-N 2.82Å; D8-H10 PolarHBondContact O-N 3.05Å; D8-A11 PolarHBondContact O-N 3.43Å; D8-E12 PolarHBondContact O-N 3.25Å; D8-E12 VanDerWaalsContact O-N 3.12Å
9S95.2Very high91.7Very high54 Ų5475.1 Ų75.138%0.37837%0.369SS..Hα-helixtrans-60.9-44.2177.1-1770000112.3K5 E6 F7 E12 K13K5-S9 VanDerWaalsContact O-CB 3.26Å; K5-S9 WeakPolarHBondContact O-CB 3.18Å; K5-S9 PolarHBondContact O-N 2.94Å; E6-S9 PolarHBondContact O-N 2.83Å; F7-S9 PolarHBondContact O-N 2.95Å; S9-E12 PolarHBondContact O-N 3.2Å; S9-K13 VanDerWaalsContact O-CG 3.3Å; S9-K13 WeakPolarHBondContact O-CG 3.42Å; S9-K13 PolarHBondContact O-N 2.85Å
10H95.6Very high91.6Very high16 Ų1679.2 Ų79.27%0.07439%0.385CS..Hα-helixtrans-74.1-31.1-180-72.681.7000112E6 F7 D8 E12 K13 V14 A79 K80E6-H10 WeakPolarHBondContact O-CB 3.42Å; E6-H10 PolarHBondContact O-N 3.49Å; E6-H10 PolarHBondContact O-ND1 3.42Å; F7-H10 PolarHBondContact O-N 2.66Å; D8-H10 PolarHBondContact O-N 3.05Å; H10-E12 VanDerWaalsContact C-N 3.28Å; H10-E12 PolarHBondContact O-N 3.18Å; H10-K13 PolarHBondContact O-N 3.47Å; H10-V14 WeakPolarHBondContact O-CG1 3.35Å; H10-V14 PolarHBondContact O-N 3.01Å; H10-A79 HydrophobicContact CB-CB 3.71Å; H10-K80 VanDerWaalsContact NE2-CE 3.3Å; H10-K80 WeakPolarHBondContact NE2-CE 3.42Å; H10-K80 WeakPolarHBondContact NE2-CG 3.21Å
11A95.1Very high91.7Very high6 Ų675.8 Ų75.85%0.0537%0.369CS..Hα-helixtrans-62.8-36173.400000112F7 D8 V14 K15 Y33 Y75F7-A11 VanDerWaalsContact O-CB 3.27Å; F7-A11 WeakPolarHBondContact O-CB 3.47Å; F7-A11 PolarHBondContact O-N 3.24Å; D8-A11 PolarHBondContact O-N 3.43Å; A11-V14 VanDerWaalsContact O-CG2 3.28Å; A11-V14 WeakPolarHBondContact O-CG2 3.29Å; A11-K15 WeakPolarHBondContact O-CG 3.28Å; A11-Y33 HydrophobicContact CB-CE2 4.34Å; A11-Y75 WeakPolarHBondContact CA-OH 3.45Å; A11-Y75 HydrophobicContact CB-CE1 3.89Å
12E94Very high93.2Very high100 Ų10069 Ų6947%0.46734%0.337SS..Hα-helixtrans-72.9-39.9171.2-67.8-54.4115.500112.3D8 S9 H10 V14 K15D8-E12 PolarHBondContact O-N 3.25Å; D8-E12 VanDerWaalsContact O-N 3.12Å; S9-E12 PolarHBondContact O-N 3.2Å; H10-E12 VanDerWaalsContact C-N 3.28Å; H10-E12 PolarHBondContact O-N 3.18Å; E12-V14 PolarHBondContact O-N 3.28Å; E12-K15 WeakPolarHBondContact O-CB 3.3Å; E12-K15 PolarHBondContact O-N 3.09Å; E12-K15 IonicContact OE1-NZ 2.67Å; E12-K15 PolarHBondContact OE1-NZ 2.8Å; E12-K15 IonicContact OE2-NZ 3.77Å
13K94Very high93.4Very high74 Ų7470.9 Ų70.932%0.32235%0.347SS..Hα-helixtrans-63.7-41.5178.6-74.3172.3-175.6176.90112.7S9 H10 K15 K16 I83 L88S9-K13 VanDerWaalsContact O-CG 3.3Å; S9-K13 WeakPolarHBondContact O-CG 3.42Å; S9-K13 PolarHBondContact O-N 2.85Å; H10-K13 PolarHBondContact O-N 3.47Å; K13-K15 PolarHBondContact O-N 3.31Å; K13-K16 CarbonylContact O-C 3.52Å; K13-K16 WeakPolarHBondContact O-CA 3.31Å; K13-K16 PolarHBondContact O-N 3.43Å; K13-I83 HydrophobicContact CB-CD1 3.65Å; K13-I83 HydrophobicContact CB-CG1 4.41Å; K13-I83 HydrophobicContact CD-CD1 3.96Å; K13-I83 HydrophobicContact CG-CD1 4.42Å; K13-L88 HydrophobicContact CB-CD1 4.29Å; K13-L88 HydrophobicContact CB-CD2 3.87Å; K13-L88 HydrophobicContact CD-CD1 4.19Å; K13-L88 HydrophobicContact CG-CD1 4.12Å; K13-L88 HydrophobicContact CG-CD2 4.44Å; K13-L88 WeakPolarHBondContact O-CD2 3.43Å
14V93.3Very high93.5Very high21 Ų2175.1 Ų75.113%0.12737%0.366CS..Hα-helixtrans-64.9-21.2179.8-64.10000113.2H10 A11 E12 K16 L17 L29 Y75 A79H10-V14 WeakPolarHBondContact O-CG1 3.35Å; H10-V14 PolarHBondContact O-N 3.01Å; A11-V14 VanDerWaalsContact O-CG2 3.28Å; A11-V14 WeakPolarHBondContact O-CG2 3.29Å; E12-V14 PolarHBondContact O-N 3.28Å; V14-K16 VanDerWaalsContact C-N 3.28Å; V14-L17 HydrophobicContact CB-CD1 4.2Å; V14-L17 HydrophobicContact CG1-CD1 4.49Å; V14-L17 WeakPolarHBondContact O-CD1 3.34Å; V14-L17 WeakPolarHBondContact O-CG 3.43Å; V14-L29 HydrophobicContact CB-CD1 4.21Å; V14-L29 HydrophobicContact CG1-CD1 4.18Å; V14-L29 HydrophobicContact CG2-CD1 4.36Å; V14-Y75 VanDerWaalsContact CG2-OH 3.31Å; V14-Y75 WeakPolarHBondContact CG2-OH 3.3Å; V14-A79 HydrophobicContact CG1-CB 3.45Å; V14-A79 VanDerWaalsContact CG1-CB 3.45Å
15K90.6Very high93.6Very high146 Ų14673.4 Ų73.464%0.63536%0.355SS*.Hα-helixtrans-73.5-21.2172-62.8171.3-174.3171.20112.6A11 E12 K13A11-K15 WeakPolarHBondContact O-CG 3.28Å; E12-K15 WeakPolarHBondContact O-CB 3.3Å; E12-K15 PolarHBondContact O-N 3.09Å; E12-K15 IonicContact OE1-NZ 2.67Å; E12-K15 PolarHBondContact OE1-NZ 2.8Å; E12-K15 IonicContact OE2-NZ 3.77Å; K13-K15 PolarHBondContact O-N 3.31Å
16K92.1Very high93.6Very high119 Ų11968.9 Ų68.952%0.51734%0.338SS..THydrogen-bonded Turntrans-104.324.3-178.5-58-176.7178.2-171.10112.4K13 V14 L88 E89K13-K16 CarbonylContact O-C 3.52Å; K13-K16 WeakPolarHBondContact O-CA 3.31Å; K13-K16 PolarHBondContact O-N 3.43Å; V14-K16 VanDerWaalsContact C-N 3.28Å; K16-L88 HydrophobicContact CB-CD2 4.26Å; K16-L88 CarbonylContact O-C 3.59Å; K16-L88 WeakPolarHBondContact O-CA 3.17Å; K16-E89 PolarHBondContact O-N 3.38Å
17L93.1Very high93.6Very high15 Ų1569 Ų698%0.07934%0.339CS..BIsolated β-bridgetrans-72.7132.6176.8-67.1171.9000109.6V14 T19 P21 L82 I83 H86 G87 L88V14-L17 HydrophobicContact CB-CD1 4.2Å; V14-L17 HydrophobicContact CG1-CD1 4.49Å; V14-L17 WeakPolarHBondContact O-CD1 3.34Å; V14-L17 WeakPolarHBondContact O-CG 3.43Å; L17-T19 PolarHBondContact O-N 2.84Å; L17-T19 VanDerWaalsContact O-N 3.13Å; L17-P21 HydrophobicContact CD1-CG 3.62Å; L17-L82 HydrophobicContact CD1-CB 4.07Å; L17-I83 HydrophobicContact CD2-CB 4.33Å; L17-I83 HydrophobicContact CD2-CG1 3.77Å; L17-H86 HydrophobicContact CB-CB 4.42Å; L17-H86 HydrophobicContact CD2-CB 4.37Å; L17-G87 WeakPolarHBondContact CA-O 3.39Å; L17-G87 WeakPolarHBondContact CD2-O 3.4Å; L17-L88 HydrophobicContact CD2-CD2 4.04Å
18K91.9Very high93.6Very high128 Ų12871.1 Ų71.156%0.55735%0.349SS*.SBendtrans-58.3-29.2178-68.6-179.2166.8176.40112.8G87 L88 E89K18-G87 PolarHBondContact N-O 2.84Å; K18-G87 VanDerWaalsContact N-O 3.1Å; K18-L88 WeakPolarHBondContact CE-O 3.16Å; K18-E89 HydrophobicContact CB-CG 4.22Å; K18-E89 HydrophobicContact CG-CB 4.49Å; K18-E89 HydrophobicContact CG-CG 3.67Å
19T91.2Very high93.7Very high77 Ų7767.5 Ų67.547%0.47233%0.33SS..SBendtrans-129.8130.2179.9-58.70000108.8L17 P21L17-T19 PolarHBondContact O-N 2.84Å; L17-T19 VanDerWaalsContact O-N 3.13Å; T19-P21 WeakPolarHBondContact O-CD 3.17Å
20K90Very high93.8Very high156 Ų15668.7 Ų68.768%0.67833%0.327SS*.PPolyproline II helixtrans-62.2125.2175.6-175.6-179.6169.7-174.50109.5L26K20-L26 HydrophobicContact CD-CD1 4.36Å; K20-L26 HydrophobicContact CG-CD1 4.09Å
21P92.4Very high93.9Very high8 Ų868 Ų685%0.05232%0.324CS..PPolyproline II helixtrans-59.6161.8171.9-23.333.7000112.1L17 T19 D25 L26 L82L17-P21 HydrophobicContact CD1-CG 3.62Å; T19-P21 WeakPolarHBondContact O-CD 3.17Å; P21-D25 HydrophobicContact CB-CB 3.75Å; P21-L26 HydrophobicContact CB-CD2 4.33Å; P21-L26 HydrophobicContact CB-CG 4.24Å; P21-L26 HydrophobicContact CG-CD2 4.28Å; P21-L26 WeakPolarHBondContact O-CD1 3.44Å; P21-L82 HydrophobicContact CB-CD1 4.38Å; P21-L82 HydrophobicContact CB-CD2 3.95Å; P21-L82 HydrophobicContact CG-CD1 4.08Å; P21-L82 HydrophobicContact CG-CD2 4.07Å
22N93.9Very high94Very high78 Ų7867.8 Ų67.842%0.41732%0.322SS..PPolyproline II helixtrans-65.1164.6173.463.158.4000111.2H24 D25 L26N22-H24 PolarHBondContact O-N 3.44Å; N22-H24 WeakPolarHBondContact OD1-CA 3.38Å; N22-H24 WeakPolarHBondContact OD1-CB 3.37Å; N22-H24 PolarHBondContact OD1-N 2.85Å; N22-H24 VanDerWaalsContact OD1-N 3.1Å; N22-D25 PolarHBondContact ND2-OD2 3.11Å; N22-D25 PolarHBondContact O-N 3.5Å; N22-D25 PolarHBondContact OD1-N 2.7Å; N22-D25 PolarHBondContact OD1-OD2 3.32Å; N22-L26 WeakPolarHBondContact O-CG 3.34Å; N22-L26 PolarHBondContact O-N 3.37Å
23D92.5Very high94.2Very high115 Ų11567.9 Ų67.962%0.61532%0.319SS*.Hα-helixtrans-60.6-32.7-176.8-69.9-32.7000112.9L26 L27D23-L26 PolarHBondContact O-N 3.36Å; D23-L27 WeakPolarHBondContact O-CB 3.47Å; D23-L27 WeakPolarHBondContact O-CG 3.36Å; D23-L27 PolarHBondContact O-N 3.01Å
24H93.8Very high94.3Very high128 Ų12866.8 Ų66.859%0.59331%0.314SS*.Hα-helixtrans-63.9-47.6176.8175.3-85.9000111.6N22 L26 L27 E28N22-H24 PolarHBondContact O-N 3.44Å; N22-H24 WeakPolarHBondContact OD1-CA 3.38Å; N22-H24 WeakPolarHBondContact OD1-CB 3.37Å; N22-H24 PolarHBondContact OD1-N 2.85Å; N22-H24 VanDerWaalsContact OD1-N 3.1Å; H24-L26 VanDerWaalsContact C-N 3.33Å; H24-L26 PolarHBondContact O-N 3.01Å; H24-L27 PolarHBondContact O-N 3.41Å; H24-E28 WeakPolarHBondContact O-CB 3.29Å; H24-E28 PolarHBondContact O-N 2.79Å
25D95.5Very high94.5Very high13 Ų1365.9 Ų65.97%0.0731%0.308CS..Hα-helixtrans-63.7-39177.6-68.6-32.1000111.7P21 N22 E28 L29 K78 L82P21-D25 HydrophobicContact CB-CB 3.75Å; N22-D25 PolarHBondContact ND2-OD2 3.11Å; N22-D25 PolarHBondContact O-N 3.5Å; N22-D25 PolarHBondContact OD1-N 2.7Å; N22-D25 PolarHBondContact OD1-OD2 3.32Å; D25-E28 PolarHBondContact O-N 2.99Å; D25-L29 WeakPolarHBondContact O-CG 3.46Å; D25-L29 PolarHBondContact O-N 2.89Å; D25-K78 WeakPolarHBondContact OD1-CE 3.46Å; D25-K78 IonicContact OD1-NZ 3.38Å; D25-K78 PolarHBondContact OD1-NZ 3.27Å; D25-L82 HydrophobicContact CB-CD1 4.25Å; D25-L82 HydrophobicContact CB-CD2 3.93Å
26L94.6Very high94.8Very high57 Ų5759 Ų5930%0.29828%0.279SS..Hα-helixtrans-67-40.7175.4-69.1173000112.6K20 P21 N22 D23 H24 E28 Y30K20-L26 HydrophobicContact CD-CD1 4.36Å; K20-L26 HydrophobicContact CG-CD1 4.09Å; P21-L26 HydrophobicContact CB-CD2 4.33Å; P21-L26 HydrophobicContact CB-CG 4.24Å; P21-L26 HydrophobicContact CG-CD2 4.28Å; P21-L26 WeakPolarHBondContact O-CD1 3.44Å; N22-L26 WeakPolarHBondContact O-CG 3.34Å; N22-L26 PolarHBondContact O-N 3.37Å; D23-L26 PolarHBondContact O-N 3.36Å; H24-L26 VanDerWaalsContact C-N 3.33Å; H24-L26 PolarHBondContact O-N 3.01Å; L26-E28 VanDerWaalsContact C-N 3.33Å; L26-Y30 VanDerWaalsContact O-CB 3.32Å; L26-Y30 WeakPolarHBondContact O-CB 3.49Å; L26-Y30 PolarHBondContact O-N 3.4Å
27L96.4Very high95Very high46 Ų4656.2 Ų56.224%0.24127%0.272CS..Hα-helixtrans-64.4-40.1175.7-76.2170000111.2D23 H24 Y30 A31 A55 K56 A59D23-L27 WeakPolarHBondContact O-CB 3.47Å; D23-L27 WeakPolarHBondContact O-CG 3.36Å; D23-L27 PolarHBondContact O-N 3.01Å; H24-L27 PolarHBondContact O-N 3.41Å; L27-Y30 PolarHBondContact O-N 2.83Å; L27-A31 WeakPolarHBondContact O-CB 3.29Å; L27-A31 PolarHBondContact O-N 3.49Å; L27-A55 HydrophobicContact CD1-CB 3.99Å; L27-A55 HydrophobicContact CD2-CB 3.91Å; L27-K56 HydrophobicContact CD2-CB 4.38Å; L27-K56 HydrophobicContact CD2-CG 3.71Å; L27-A59 HydrophobicContact CB-CB 4.31Å
28E96.1Very high95.1Very high49 Ų4958.7 Ų58.723%0.22929%0.288CS..Hα-helixtrans-66-47.5176.6-179158.7-136.500112H24 D25 L26 Y30 A31 L32 K63 K78H24-E28 WeakPolarHBondContact O-CB 3.29Å; H24-E28 PolarHBondContact O-N 2.79Å; D25-E28 PolarHBondContact O-N 2.99Å; L26-E28 VanDerWaalsContact C-N 3.33Å; E28-Y30 VanDerWaalsContact C-N 3.3Å; E28-Y30 PolarHBondContact O-N 2.92Å; E28-A31 PolarHBondContact O-N 3.4Å; E28-L32 HydrophobicContact CG-CD1 3.85Å; E28-L32 HydrophobicContact CG-CG 4.44Å; E28-L32 WeakPolarHBondContact O-CB 3.37Å; E28-L32 WeakPolarHBondContact O-CG 3.24Å; E28-L32 PolarHBondContact O-N 2.9Å; E28-K63 IonicContact OE1-NZ 2.83Å; E28-K63 PolarHBondContact OE1-NZ 3.49Å; E28-K78 HydrophobicContact CG-CD 4.49Å; E28-K78 VanDerWaalsContact OE2-CE 3.24Å; E28-K78 WeakPolarHBondContact OE2-CE 3.37Å; E28-K78 IonicContact OE2-NZ 2.69Å; E28-K78 PolarHBondContact OE2-NZ 3.18Å
29L96.8Very high95.3Very high12 Ų1253 Ų536%0.06327%0.266CS..Hα-helixtrans-56.4-46.1172.9-76178.8000111.1V14 D25 L32 Y33 Y75 K78 L82V14-L29 HydrophobicContact CB-CD1 4.21Å; V14-L29 HydrophobicContact CG1-CD1 4.18Å; V14-L29 HydrophobicContact CG2-CD1 4.36Å; D25-L29 WeakPolarHBondContact O-CG 3.46Å; D25-L29 PolarHBondContact O-N 2.89Å; L29-L32 PolarHBondContact O-N 2.94Å; L29-Y33 WeakPolarHBondContact O-CB 3.42Å; L29-Y33 PolarHBondContact O-N 3.5Å; L29-Y75 HydrophobicContact CB-CE2 4.01Å; L29-Y75 HydrophobicContact CD2-CD2 3.99Å; L29-Y75 HydrophobicContact CD2-CE2 3.71Å; L29-Y75 HydrophobicContact CG-CE2 4.44Å; L29-Y75 WeakPolarHBondContact O-CD2 3.33Å; L29-Y75 VanDerWaalsContact O-CE2 3.25Å; L29-Y75 WeakPolarHBondContact O-CE2 3.49Å; L29-K78 HydrophobicContact CD2-CB 4.08Å; L29-K78 HydrophobicContact CD2-CG 3.8Å; L29-K78 HydrophobicContact CG-CG 4.23Å; L29-L82 HydrophobicContact CD1-CD1 3.46Å; L29-L82 VanDerWaalsContact CD1-CD1 3.46Å; L29-L82 HydrophobicContact CD2-CD1 4.22Å; L29-L82 HydrophobicContact CG-CD1 3.89Å
30Y96.2Very high95.5Very high78 Ų7852.2 Ų52.231%0.30626%0.258SS..Hα-helixtrans-59.2-49.1177.9173-91.5000112L26 L27 E28 L32 Y33 K34 K56 W60L26-Y30 VanDerWaalsContact O-CB 3.32Å; L26-Y30 WeakPolarHBondContact O-CB 3.49Å; L26-Y30 PolarHBondContact O-N 3.4Å; L27-Y30 PolarHBondContact O-N 2.83Å; E28-Y30 VanDerWaalsContact C-N 3.3Å; E28-Y30 PolarHBondContact O-N 2.92Å; Y30-L32 PolarHBondContact O-N 3.37Å; Y30-Y33 PolarHBondContact O-N 2.97Å; Y30-K34 HydrophobicContact CD1-CG 4.32Å; Y30-K34 HydrophobicContact CD2-CG 4.36Å; Y30-K34 HydrophobicContact CE1-CG 3.82Å; Y30-K34 HydrophobicContact CE2-CD 4.21Å; Y30-K34 HydrophobicContact CE2-CG 3.9Å; Y30-K34 WeakPolarHBondContact O-CG 3.4Å; Y30-K34 PolarHBondContact O-N 3.49Å; Y30-K56 HydrophobicContact CD1-CB 3.82Å; Y30-K56 HydrophobicContact CD1-CD 4.37Å; Y30-K56 HydrophobicContact CD1-CG 3.82Å; Y30-K56 HydrophobicContact CD2-CD 4.3Å; Y30-K56 HydrophobicContact CE1-CB 3.48Å; Y30-K56 VanDerWaalsContact CE1-CB 3.48Å; Y30-K56 HydrophobicContact CE1-CD 4.2Å; Y30-K56 HydrophobicContact CE1-CG 3.88Å; Y30-K56 HydrophobicContact CE2-CD 4.1Å; Y30-K56 HydrophobicContact CG-CD 4.42Å; Y30-K56 HydrophobicContact CG-CG 4.18Å; Y30-W60 HydrophobicContact CE1-CB 4.45Å
31A97.8Very high95.7Very high1 Ų145 Ų451%0.00823%0.227CC..Hα-helixtrans-60.4-47.6-179.200000112L27 E28 K34 Q35 A59 K63L27-A31 WeakPolarHBondContact O-CB 3.29Å; L27-A31 PolarHBondContact O-N 3.49Å; E28-A31 PolarHBondContact O-N 3.4Å; A31-K34 PolarHBondContact O-N 2.95Å; A31-Q35 WeakPolarHBondContact O-CB 3.42Å; A31-Q35 PolarHBondContact O-N 2.9Å; A31-A59 HydrophobicContact CB-CB 3.82Å; A31-A59 VanDerWaalsContact CB-O 3.29Å; A31-A59 WeakPolarHBondContact CB-O 3.32Å; A31-K63 HydrophobicContact CB-CG 3.91Å
32L98Very high95.7Very high3 Ų351 Ų512%0.01626%0.259CS..Hα-helixtrans-65-40.3178.1-69.6170.7000111.6E28 L29 Y30 Q35 A36 K63 L74 Y75E28-L32 HydrophobicContact CG-CD1 3.85Å; E28-L32 HydrophobicContact CG-CG 4.44Å; E28-L32 WeakPolarHBondContact O-CB 3.37Å; E28-L32 WeakPolarHBondContact O-CG 3.24Å; E28-L32 PolarHBondContact O-N 2.9Å; L29-L32 PolarHBondContact O-N 2.94Å; Y30-L32 PolarHBondContact O-N 3.37Å; L32-Q35 PolarHBondContact O-N 3.28Å; L32-A36 WeakPolarHBondContact O-CB 3.23Å; L32-A36 PolarHBondContact O-N 3.41Å; L32-K63 HydrophobicContact CD2-CD 4.09Å; L32-K63 HydrophobicContact CD2-CG 4.37Å; L32-L74 HydrophobicContact CD1-CB 3.93Å; L32-L74 HydrophobicContact CD2-CB 3.65Å; L32-L74 HydrophobicContact CD2-CD1 3.93Å; L32-L74 HydrophobicContact CD2-CG 4.47Å; L32-L74 HydrophobicContact CG-CB 4.42Å; L32-Y75 HydrophobicContact CB-CD2 3.93Å
33Y97.5Very high95.6Very high102 Ų10250.9 Ų50.940%0.426%0.261SS..Hα-helixtrans-61.2-46.3175.6-176.2-90.5000111.7F7 A11 L29 Y30 A36 T37 Y75F7-Y33 HydrophobicContact CE1-CD2 4.14Å; F7-Y33 AromaticContact CE1-CE2 3.98Å; F7-Y33 HydrophobicContact CE1-CE2 3.98Å; F7-Y33 AromaticContact CE2-CD2 3.94Å; F7-Y33 HydrophobicContact CE2-CD2 3.94Å; F7-Y33 AromaticContact CZ-CD2 3.3Å; F7-Y33 HydrophobicContact CZ-CD2 3.3Å; F7-Y33 AromaticContact CZ-CE2 3.6Å; F7-Y33 HydrophobicContact CZ-CE2 3.6Å; F7-Y33 HydrophobicContact CZ-CG 4.11Å; A11-Y33 HydrophobicContact CB-CE2 4.34Å; L29-Y33 WeakPolarHBondContact O-CB 3.42Å; L29-Y33 PolarHBondContact O-N 3.5Å; Y30-Y33 PolarHBondContact O-N 2.97Å; Y33-A36 PolarHBondContact O-N 3.38Å; Y33-T37 HydrophobicContact CD1-CG2 4.42Å; Y33-T37 HydrophobicContact CE1-CG2 4.07Å; Y33-T37 HydrophobicContact CE2-CG2 4.29Å; Y33-T37 WeakPolarHBondContact O-CB 3.24Å; Y33-T37 WeakPolarHBondContact O-CG2 3.42Å; Y33-T37 PolarHBondContact O-N 2.98Å; Y33-T37 PolarHBondContact O-OG1 3.39Å; Y33-Y75 HydrophobicContact CD2-CE2 4.18Å; Y33-Y75 HydrophobicContact CG-CE2 4.46Å
34K97.1Very high95.5Very high50 Ų5050.7 Ų50.722%0.21727%0.268CS..Hα-helixtrans-65.5-42.5177.5-70.3-62.4-60.7-179.50111.8Y30 A31 A36 T37 V38 G39 W60Y30-K34 HydrophobicContact CD1-CG 4.32Å; Y30-K34 HydrophobicContact CD2-CG 4.36Å; Y30-K34 HydrophobicContact CE1-CG 3.82Å; Y30-K34 HydrophobicContact CE2-CD 4.21Å; Y30-K34 HydrophobicContact CE2-CG 3.9Å; Y30-K34 WeakPolarHBondContact O-CG 3.4Å; Y30-K34 PolarHBondContact O-N 3.49Å; A31-K34 PolarHBondContact O-N 2.95Å; K34-A36 VanDerWaalsContact C-N 3.35Å; K34-A36 PolarHBondContact O-N 2.89Å; K34-T37 PolarHBondContact O-N 3.28Å; K34-T37 PolarHBondContact O-OG1 3.49Å; K34-V38 WeakPolarHBondContact O-CA 3.37Å; K34-V38 VanDerWaalsContact O-CB 3.31Å; K34-V38 WeakPolarHBondContact O-CB 3.34Å; K34-V38 PolarHBondContact O-N 2.92Å; K34-G39 PolarHBondContact O-N 3.43Å; K34-W60 HydrophobicContact CB-CD2 3.54Å; K34-W60 HydrophobicContact CB-CE3 4.13Å; K34-W60 HydrophobicContact CB-CG 3.69Å; K34-W60 HydrophobicContact CB-CZ2 4.19Å; K34-W60 HydrophobicContact CG-CD2 4.15Å; K34-W60 HydrophobicContact CG-CE3 4.26Å; K34-W60 HydrophobicContact CG-CG 4.45Å
35Q97.7Very high95.3Very high2 Ų247.4 Ų47.41%0.00926%0.26CS..Hα-helixtrans-64.9-39176.2-166.866.810.200111.9A31 L32 G39 D40 K63 I66 A71A31-Q35 WeakPolarHBondContact O-CB 3.42Å; A31-Q35 PolarHBondContact O-N 2.9Å; L32-Q35 PolarHBondContact O-N 3.28Å; Q35-G39 WeakPolarHBondContact O-CA 3.49Å; Q35-G39 PolarHBondContact O-N 2.83Å; Q35-G39 VanDerWaalsContact OE1-C 3.24Å; Q35-G39 PolarHBondContact OE1-O 2.79Å; Q35-D40 PolarHBondContact NE2-OD1 3.38Å; Q35-K63 HydrophobicContact CB-CB 4.25Å; Q35-K63 VanDerWaalsContact CD-O 3.25Å; Q35-K63 HydrophobicContact CG-CB 4.19Å; Q35-K63 PolarHBondContact NE2-O 3.39Å; Q35-I66 HydrophobicContact CG-CB 4.34Å; Q35-I66 PolarHBondContact NE2-O 3.01Å; Q35-A71 HydrophobicContact CB-CB 3.89Å; Q35-A71 HydrophobicContact CG-CB 3.87Å
36A97.1Very high95.1Very high3 Ų348.4 Ų48.43%0.02527%0.267CS..Hα-helixtrans-67.3-36.7177.500000113.5F7 L32 Y33 K34 A71 K72F7-A36 HydrophobicContact CD2-CB 4.46Å; F7-A36 HydrophobicContact CE2-CB 3.79Å; F7-A36 HydrophobicContact CZ-CB 3.86Å; L32-A36 WeakPolarHBondContact O-CB 3.23Å; L32-A36 PolarHBondContact O-N 3.41Å; Y33-A36 PolarHBondContact O-N 3.38Å; K34-A36 VanDerWaalsContact C-N 3.35Å; K34-A36 PolarHBondContact O-N 2.89Å; A36-A71 HydrophobicContact CB-CB 3.97Å; A36-K72 HydrophobicContact CB-CG 3.66Å
37T95.9Very high94.8Very high60 Ų6048.3 Ų48.337%0.36828%0.28SS..Hα-helixtrans-96.2-42-172.953.50000113.3F7 Y33 K34F7-T37 HydrophobicContact CE1-CG2 3.99Å; F7-T37 HydrophobicContact CZ-CG2 3.98Å; Y33-T37 HydrophobicContact CD1-CG2 4.42Å; Y33-T37 HydrophobicContact CE1-CG2 4.07Å; Y33-T37 HydrophobicContact CE2-CG2 4.29Å; Y33-T37 WeakPolarHBondContact O-CB 3.24Å; Y33-T37 WeakPolarHBondContact O-CG2 3.42Å; Y33-T37 PolarHBondContact O-N 2.98Å; Y33-T37 PolarHBondContact O-OG1 3.39Å; K34-T37 PolarHBondContact O-N 3.28Å; K34-T37 PolarHBondContact O-OG1 3.49Å
38V95.6Very high94Very high67 Ų6752.2 Ų52.241%0.40630%0.3SS..THydrogen-bonded Turntrans-98.5-42.7-178.8-175.20000110.4K34 W60 R68K34-V38 WeakPolarHBondContact O-CA 3.37Å; K34-V38 VanDerWaalsContact O-CB 3.31Å; K34-V38 WeakPolarHBondContact O-CB 3.34Å; K34-V38 PolarHBondContact O-N 2.92Å; V38-W60 HydrophobicContact CB-CH2 4.26Å; V38-W60 HydrophobicContact CB-CZ2 3.78Å; V38-W60 HydrophobicContact CG1-CH2 3.96Å; V38-W60 HydrophobicContact CG1-CZ2 3.73Å; V38-W60 HydrophobicContact CG2-CZ2 4.41Å; V38-R68 PolarHBondContact O-NH2 3.4Å
39G95.3Very high93.8Very high9 Ų958 Ų589%0.09333%0.331CS..  trans96.1-154-166.200000110.8K34 Q35 N41 W60K34-G39 PolarHBondContact O-N 3.43Å; Q35-G39 WeakPolarHBondContact O-CA 3.49Å; Q35-G39 PolarHBondContact O-N 2.83Å; Q35-G39 VanDerWaalsContact OE1-C 3.24Å; Q35-G39 PolarHBondContact OE1-O 2.79Å; G39-N41 PolarHBondContact O-N 3.33Å; G39-W60 WeakPolarHBondContact O-CZ2 3.26Å; G39-W60 PolarHBondContact O-NE1 3.44Å
40D95.8Very high93.6Very high59 Ų5961.2 Ų61.232%0.31635%0.348SS..SBendtrans-54.1136.7-174.8-73.4-13.1000113.2Q35 N42 K64 G65Q35-D40 PolarHBondContact NE2-OD1 3.38Å; D40-N42 PolarHBondContact O-N 2.98Å; D40-N42 PolarHBondContact O-ND2 3.09Å; D40-N42 VanDerWaalsContact O-ND2 3.13Å; D40-K64 HydrophobicContact CB-CG 4.06Å; D40-K64 WeakPolarHBondContact OD1-CA 3.25Å; D40-G65 PolarHBondContact OD1-N 3.41Å
41N94.2Very high93.3Very high4 Ų463.7 Ų63.72%0.02137%0.366CS..  trans-69.4113.4173.5-170.40.8000110.2G39 T43 W57 W60 N61G39-N41 PolarHBondContact O-N 3.33Å; N41-T43 WeakPolarHBondContact OD1-CB 3.21Å; N41-T43 PolarHBondContact OD1-N 2.91Å; N41-T43 PolarHBondContact OD1-OG1 2.84Å; N41-W57 PolarHBondContact ND2-NE1 2.82Å; N41-W57 PolarHBondContact ND2-O 3.38Å; N41-W60 HydrophobicContact CB-CD2 3.61Å; N41-W60 HydrophobicContact CB-CE3 3.98Å; N41-W60 HydrophobicContact CB-CG 3.9Å; N41-W60 HydrophobicContact CB-CH2 4.45Å; N41-W60 HydrophobicContact CB-CZ2 4.12Å; N41-W60 HydrophobicContact CB-CZ3 4.38Å; N41-N61 HydrophobicContact CB-CB 4.41Å
42N91.6Very high92.9Very high135 Ų13571.8 Ų71.872%0.72240%0.401SS*.  trans-115.917.1174-62.7-61.5000112D40D40-N42 PolarHBondContact O-N 2.98Å; D40-N42 PolarHBondContact O-ND2 3.09Å; D40-N42 VanDerWaalsContact O-ND2 3.13Å
43T92.2Very high92.6Very high75 Ų7572.5 Ų72.546%0.4641%0.409SS..SBendtrans-90.5152.7178.767.60000110.8N41 W57 W60N41-T43 WeakPolarHBondContact OD1-CB 3.21Å; N41-T43 PolarHBondContact OD1-N 2.91Å; N41-T43 PolarHBondContact OD1-OG1 2.84Å; T43-W57 WeakPolarHBondContact O-CZ2 3.17Å; T43-W57 PolarHBondContact O-NE1 3.35Å; T43-W57 PolarHBondContact OG1-NE1 3.45Å; T43-W60 HydrophobicContact CG2-CZ3 4.4Å
44S90.6Very high92.5Very high111 Ų11171 Ų7178%0.77641%0.405SS*.PPolyproline II helixtrans-65.1142.8173.9-58.10000111.4W57S44-W57 PolarHBondContact O-NE1 2.97Å
45S89.3Confident92.3Very high59 Ų5970.2 Ų70.241%0.41341%0.408SS..PPolyproline II helixtrans-58.1133.2173.3174.10000109.7
46P91Very high92.2Very high35 Ų3574.5 Ų74.523%0.22743%0.426CS..PPolyproline II helixtrans-64.4160174.428.2-33.9000110.9K54 W57P46-K54 HydrophobicContact CG-CB 4.11Å; P46-K54 VanDerWaalsContact CG-N 3.32Å; P46-W57 HydrophobicContact CG-CB 4.04Å
47G88.7Confident92.2Very high54 Ų5476.7 Ų76.756%0.55743%0.434SS*.PPolyproline II helixtrans-62.7154.6-18000000112.9L49 D50G47-L49 PolarHBondContact O-N 3.15Å; G47-L49 VanDerWaalsContact O-N 3.09Å; G47-D50 PolarHBondContact O-N 3.18Å
48I79.8Confident92.1Very high129 Ų12977.6 Ų77.666%0.66244%0.436SS*.THydrogen-bonded Turntrans-61.6-20.6-175.759169.9000114.5D50 L51I48-D50 VanDerWaalsContact C-N 3.31Å; I48-L51 WeakPolarHBondContact O-CD2 3.24Å
49L91.9Very high92.2Very high170 Ų17075.6 Ų75.689%0.8943%0.427SS*.THydrogen-bonded Turntrans-74.5-21.4176.1-61177.9000112.4G47 L51G47-L49 PolarHBondContact O-N 3.15Å; G47-L49 VanDerWaalsContact O-N 3.09Å; L49-L51 PolarHBondContact O-N 3.21Å
50D92.3Very high92.3Very high79 Ų7975.8 Ų75.842%0.42243%0.425SS..  trans-95.676.5174.6-177.111.4000110.8G47 I48 K52 G53 K54G47-D50 PolarHBondContact O-N 3.18Å; I48-D50 VanDerWaalsContact C-N 3.31Å; D50-K52 VanDerWaalsContact C-N 3.27Å; D50-K52 PolarHBondContact O-N 3.5Å; D50-G53 PolarHBondContact O-N 2.86Å; D50-G53 PolarHBondContact OD1-N 2.92Å; D50-G53 VanDerWaalsContact OD2-CA 3.29Å; D50-G53 WeakPolarHBondContact OD2-CA 3.38Å; D50-K54 VanDerWaalsContact O-CB 3.24Å; D50-K54 WeakPolarHBondContact O-CB 3.41Å; D50-K54 PolarHBondContact O-N 3.19Å
51L90.1Very high92.3Very high130 Ų13075.7 Ų75.768%0.68142%0.424SS*.Hα-helixtrans-59.9-37.3-178.9-62.3178.9000112.6I48 L49 A55I48-L51 WeakPolarHBondContact O-CD2 3.24Å; L49-L51 PolarHBondContact O-N 3.21Å; L51-A55 WeakPolarHBondContact O-CB 3.32Å; L51-A55 PolarHBondContact O-N 2.93Å
52K89Confident92.3Very high172 Ų17278.5 Ų78.575%0.74845%0.454SS*.Hα-helixtrans-72.7-45.3-179.3-70.8-179.2-178.3173.70111.2D50 K54 A55 K56D50-K52 VanDerWaalsContact C-N 3.27Å; D50-K52 PolarHBondContact O-N 3.5Å; K52-K54 VanDerWaalsContact C-N 3.31Å; K52-A55 PolarHBondContact O-N 3.26Å; K52-K56 WeakPolarHBondContact O-CB 3.4Å; K52-K56 WeakPolarHBondContact O-CG 3.24Å; K52-K56 PolarHBondContact O-N 3.32Å
53G92.8Very high92.5Very high17 Ų1774.3 Ų74.318%0.17543%0.429CS..Hα-helixtrans-61.3-42.2173.200000111.3D50 A55 K56 W57D50-G53 PolarHBondContact O-N 2.86Å; D50-G53 PolarHBondContact OD1-N 2.92Å; D50-G53 VanDerWaalsContact OD2-CA 3.29Å; D50-G53 WeakPolarHBondContact OD2-CA 3.38Å; G53-A55 PolarHBondContact O-N 2.87Å; G53-K56 WeakPolarHBondContact O-CB 3.15Å; G53-K56 PolarHBondContact O-N 2.99Å; G53-W57 VanDerWaalsContact O-CB 3.29Å; G53-W57 WeakPolarHBondContact O-CB 3.5Å; G53-W57 PolarHBondContact O-N 3.34Å
54K93.8Very high92.6Very high71 Ų7175.9 Ų75.931%0.30943%0.43SS..Hα-helixtrans-62.5-43.2176.6-172.9169.9-178.4175.30112P46 D50 K52 W57 N58P46-K54 HydrophobicContact CG-CB 4.11Å; P46-K54 VanDerWaalsContact CG-N 3.32Å; D50-K54 VanDerWaalsContact O-CB 3.24Å; D50-K54 WeakPolarHBondContact O-CB 3.41Å; D50-K54 PolarHBondContact O-N 3.19Å; K52-K54 VanDerWaalsContact C-N 3.31Å; K54-W57 PolarHBondContact O-N 3.47Å; K54-N58 VanDerWaalsContact O-CB 3.28Å; K54-N58 WeakPolarHBondContact O-CB 3.33Å; K54-N58 PolarHBondContact O-N 3.4Å; K54-N58 PolarHBondContact O-ND2 3.44Å
55A94.6Very high92.8Very high34 Ų3473.7 Ų73.728%0.28143%0.425SS..Hα-helixtrans-61.7-45.2174.900000111.9L27 L51 K52 G53 N58 A59L27-A55 HydrophobicContact CD1-CB 3.99Å; L27-A55 HydrophobicContact CD2-CB 3.91Å; L51-A55 WeakPolarHBondContact O-CB 3.32Å; L51-A55 PolarHBondContact O-N 2.93Å; K52-A55 PolarHBondContact O-N 3.26Å; G53-A55 PolarHBondContact O-N 2.87Å; A55-N58 PolarHBondContact O-N 3.4Å; A55-A59 VanDerWaalsContact O-CB 3.32Å; A55-A59 WeakPolarHBondContact O-CB 3.34Å; A55-A59 PolarHBondContact O-N 2.92Å
56K95.1Very high93.1Very high91 Ų9172.6 Ų72.640%0.39641%0.414SS..Hα-helixtrans-61.2-45.6175.5-80179.4-179.9-1790112.5L27 Y30 K52 G53 A59 W60L27-K56 HydrophobicContact CD2-CB 4.38Å; L27-K56 HydrophobicContact CD2-CG 3.71Å; Y30-K56 HydrophobicContact CD1-CB 3.82Å; Y30-K56 HydrophobicContact CD1-CD 4.37Å; Y30-K56 HydrophobicContact CD1-CG 3.82Å; Y30-K56 HydrophobicContact CD2-CD 4.3Å; Y30-K56 HydrophobicContact CE1-CB 3.48Å; Y30-K56 VanDerWaalsContact CE1-CB 3.48Å; Y30-K56 HydrophobicContact CE1-CD 4.2Å; Y30-K56 HydrophobicContact CE1-CG 3.88Å; Y30-K56 HydrophobicContact CE2-CD 4.1Å; Y30-K56 HydrophobicContact CG-CD 4.42Å; Y30-K56 HydrophobicContact CG-CG 4.18Å; K52-K56 WeakPolarHBondContact O-CB 3.4Å; K52-K56 WeakPolarHBondContact O-CG 3.24Å; K52-K56 PolarHBondContact O-N 3.32Å; G53-K56 WeakPolarHBondContact O-CB 3.15Å; G53-K56 PolarHBondContact O-N 2.99Å; K56-A59 PolarHBondContact O-N 3.43Å; K56-W60 WeakPolarHBondContact O-CB 3.49Å; K56-W60 PolarHBondContact O-N 2.69Å
57W96Very high93.3Very high49 Ų4974.1 Ų74.119%0.18643%0.425CS..Hα-helixtrans-63.7-45.6178.5-174.197.4000110.9N41 T43 S44 P46 G53 K54 W60 N61N41-W57 PolarHBondContact ND2-NE1 2.82Å; N41-W57 PolarHBondContact ND2-O 3.38Å; T43-W57 WeakPolarHBondContact O-CZ2 3.17Å; T43-W57 PolarHBondContact O-NE1 3.35Å; T43-W57 PolarHBondContact OG1-NE1 3.45Å; S44-W57 PolarHBondContact O-NE1 2.97Å; P46-W57 HydrophobicContact CG-CB 4.04Å; G53-W57 VanDerWaalsContact O-CB 3.29Å; G53-W57 WeakPolarHBondContact O-CB 3.5Å; G53-W57 PolarHBondContact O-N 3.34Å; K54-W57 PolarHBondContact O-N 3.47Å; W57-W60 PolarHBondContact O-N 2.94Å; W57-N61 HydrophobicContact CD2-CB 4.48Å; W57-N61 HydrophobicContact CE3-CB 4.15Å; W57-N61 HydrophobicContact CH2-CB 4.13Å; W57-N61 HydrophobicContact CZ2-CB 4.47Å; W57-N61 HydrophobicContact CZ3-CB 3.96Å; W57-N61 WeakPolarHBondContact O-CB 3.3Å; W57-N61 PolarHBondContact O-N 3.45Å
58N95.1Very high93.6Very high79 Ų7978.2 Ų78.242%0.42242%0.424SS..Hα-helixtrans-60.7-45.5175.7-75.5-14.2000111.5K54 A55 N61 G62K54-N58 VanDerWaalsContact O-CB 3.28Å; K54-N58 WeakPolarHBondContact O-CB 3.33Å; K54-N58 PolarHBondContact O-N 3.4Å; K54-N58 PolarHBondContact O-ND2 3.44Å; A55-N58 PolarHBondContact O-N 3.4Å; N58-N61 PolarHBondContact O-N 2.95Å; N58-G62 PolarHBondContact O-N 3.43Å
59A96.3Very high94.3Very high25 Ų2578.6 Ų78.621%0.20742%0.423CS..Hα-helixtrans-62.5-45.517900000111.3L27 A31 A55 K56 G62 K63L27-A59 HydrophobicContact CB-CB 4.31Å; A31-A59 HydrophobicContact CB-CB 3.82Å; A31-A59 VanDerWaalsContact CB-O 3.29Å; A31-A59 WeakPolarHBondContact CB-O 3.32Å; A55-A59 VanDerWaalsContact O-CB 3.32Å; A55-A59 WeakPolarHBondContact O-CB 3.34Å; A55-A59 PolarHBondContact O-N 2.92Å; K56-A59 PolarHBondContact O-N 3.43Å; A59-G62 PolarHBondContact O-N 2.82Å; A59-K63 PolarHBondContact O-N 2.85Å
60W97.7Very high94.5Very high14 Ų1475.2 Ų75.25%0.05340%0.402CS..Hα-helixtrans-65.6-45.9176.4-17817.1000111.8Y30 K34 V38 G39 N41 T43 K56 W57 G62 K63Y30-W60 HydrophobicContact CE1-CB 4.45Å; K34-W60 HydrophobicContact CB-CD2 3.54Å; K34-W60 HydrophobicContact CB-CE3 4.13Å; K34-W60 HydrophobicContact CB-CG 3.69Å; K34-W60 HydrophobicContact CB-CZ2 4.19Å; K34-W60 HydrophobicContact CG-CD2 4.15Å; K34-W60 HydrophobicContact CG-CE3 4.26Å; K34-W60 HydrophobicContact CG-CG 4.45Å; V38-W60 HydrophobicContact CB-CH2 4.26Å; V38-W60 HydrophobicContact CB-CZ2 3.78Å; V38-W60 HydrophobicContact CG1-CH2 3.96Å; V38-W60 HydrophobicContact CG1-CZ2 3.73Å; V38-W60 HydrophobicContact CG2-CZ2 4.41Å; G39-W60 WeakPolarHBondContact O-CZ2 3.26Å; G39-W60 PolarHBondContact O-NE1 3.44Å; N41-W60 HydrophobicContact CB-CD2 3.61Å; N41-W60 HydrophobicContact CB-CE3 3.98Å; N41-W60 HydrophobicContact CB-CG 3.9Å; N41-W60 HydrophobicContact CB-CH2 4.45Å; N41-W60 HydrophobicContact CB-CZ2 4.12Å; N41-W60 HydrophobicContact CB-CZ3 4.38Å; T43-W60 HydrophobicContact CG2-CZ3 4.4Å; K56-W60 WeakPolarHBondContact O-CB 3.49Å; K56-W60 PolarHBondContact O-N 2.69Å; W57-W60 PolarHBondContact O-N 2.94Å; W60-G62 PolarHBondContact O-N 2.74Å; W60-K63 PolarHBondContact O-N 3.2Å
61N96Very high94.7Very high57 Ų5771.5 Ų71.531%0.30538%0.382SS..Hα-helixtrans-61.5-32.1176.8-169.362.1000112.2N41 W57 N58 K63 K64N41-N61 HydrophobicContact CB-CB 4.41Å; W57-N61 HydrophobicContact CD2-CB 4.48Å; W57-N61 HydrophobicContact CE3-CB 4.15Å; W57-N61 HydrophobicContact CH2-CB 4.13Å; W57-N61 HydrophobicContact CZ2-CB 4.47Å; W57-N61 HydrophobicContact CZ3-CB 3.96Å; W57-N61 WeakPolarHBondContact O-CB 3.3Å; W57-N61 PolarHBondContact O-N 3.45Å; N58-N61 PolarHBondContact O-N 2.95Å; N61-K63 PolarHBondContact O-N 3.3Å; N61-K64 WeakPolarHBondContact O-CB 3.39Å; N61-K64 PolarHBondContact O-N 2.87Å
62G95Very high95.1Very high63 Ų6367 Ų6765%0.64936%0.357SS*.THydrogen-bonded Turntrans-69.3-13.7174.300000114.9N58 A59 W60N58-G62 PolarHBondContact O-N 3.43Å; A59-G62 PolarHBondContact O-N 2.82Å; W60-G62 PolarHBondContact O-N 2.74Å
63K95.7Very high95.5Very high46 Ų4665.9 Ų65.920%0.235%0.352CS..THydrogen-bonded Turntrans-98.46.5173.3-59.2-61.7-176.2177.90112.7E28 A31 L32 Q35 A59 W60 N61 I66E28-K63 IonicContact OE1-NZ 2.83Å; E28-K63 PolarHBondContact OE1-NZ 3.49Å; A31-K63 HydrophobicContact CB-CG 3.91Å; L32-K63 HydrophobicContact CD2-CD 4.09Å; L32-K63 HydrophobicContact CD2-CG 4.37Å; Q35-K63 HydrophobicContact CB-CB 4.25Å; Q35-K63 VanDerWaalsContact CD-O 3.25Å; Q35-K63 HydrophobicContact CG-CB 4.19Å; Q35-K63 PolarHBondContact NE2-O 3.39Å; A59-K63 PolarHBondContact O-N 2.85Å; W60-K63 PolarHBondContact O-N 3.2Å; N61-K63 PolarHBondContact O-N 3.3Å; K63-I66 HydrophobicContact CB-CD1 4.13Å; K63-I66 HydrophobicContact CD-CD1 3.86Å; K63-I66 WeakPolarHBondContact O-CB 3.45Å; K63-I66 WeakPolarHBondContact O-CG1 3.35Å; K63-I66 PolarHBondContact O-N 3.23Å
64K94.3Very high95.7Very high108 Ų10868 Ų6847%0.4736%0.36SS..THydrogen-bonded Turntrans-57.2139.7178-174.7172-175.4164.30111.1D40 N61 I66D40-K64 HydrophobicContact CB-CG 4.06Å; D40-K64 WeakPolarHBondContact OD1-CA 3.25Å; N61-K64 WeakPolarHBondContact O-CB 3.39Å; N61-K64 PolarHBondContact O-N 2.87Å; K64-I66 VanDerWaalsContact C-N 3.29Å; K64-I66 PolarHBondContact O-N 3.1Å
65G94.9Very high95.8Very high66 Ų6665.2 Ų65.268%0.6835%0.347SS*.THydrogen-bonded Turntrans87.7-15.1-177.700000114.5D40D40-G65 PolarHBondContact OD1-N 3.41Å
66I95.5Very high96Very high36 Ų3663.8 Ų63.819%0.18534%0.335CS..  trans-73.7130.3170.6-59.8176.6000108.6Q35 K63 K64 E70 A71 L74Q35-I66 HydrophobicContact CG-CB 4.34Å; Q35-I66 PolarHBondContact NE2-O 3.01Å; K63-I66 HydrophobicContact CB-CD1 4.13Å; K63-I66 HydrophobicContact CD-CD1 3.86Å; K63-I66 WeakPolarHBondContact O-CB 3.45Å; K63-I66 WeakPolarHBondContact O-CG1 3.35Å; K63-I66 PolarHBondContact O-N 3.23Å; K64-I66 VanDerWaalsContact C-N 3.29Å; K64-I66 PolarHBondContact O-N 3.1Å; I66-E70 HydrophobicContact CG2-CB 3.7Å; I66-E70 HydrophobicContact CG2-CG 3.71Å; I66-A71 HydrophobicContact CG2-CB 4.19Å; I66-L74 HydrophobicContact CD1-CD1 4.28Å
67C95.2Very high96Very high66 Ų6664.8 Ų64.845%0.44634%0.344SS..  trans-70.4159.3178.277.20000111.5E69 E70 A71C67-E69 VanDerWaalsContact C-N 3.27Å; C67-E69 PolarHBondContact O-N 3.12Å; C67-E70 PolarHBondContact O-N 3.44Å; C67-E70 PolarHBondContact SG-N 2.83Å; C67-E70 VanDerWaalsContact SG-N 3.43Å; C67-A71 WeakPolarHBondContact O-CB 3.27Å; C67-A71 PolarHBondContact O-N 3.45Å
68R94.9Very high96.1Very high140 Ų14064 Ų6453%0.52834%0.342SS..Hα-helixtrans-59-37.7-176.7-68.1-176179.5168-1112.8V38 A71 K72V38-R68 PolarHBondContact O-NH2 3.4Å; R68-A71 PolarHBondContact O-N 2.89Å; R68-K72 VanDerWaalsContact O-CG 3.3Å; R68-K72 WeakPolarHBondContact O-CG 3.3Å; R68-K72 PolarHBondContact O-N 3.44Å
69E94.3Very high96.1Very high138 Ų13860.2 Ų60.265%0.64532%0.322SS*.Hα-helixtrans-67.1-43.9179.9-67.7-179.688.600112.1C67 K72 K73C67-E69 VanDerWaalsContact C-N 3.27Å; C67-E69 PolarHBondContact O-N 3.12Å; E69-K72 PolarHBondContact O-N 3.32Å; E69-K73 PolarHBondContact O-N 2.95Å
70E95.9Very high96.1Very high99 Ų9963.5 Ų63.546%0.46333%0.332SS..Hα-helixtrans-65.5-42.1175.5-175.7178.2170.100111.3I66 C67 K72 K73 L74I66-E70 HydrophobicContact CG2-CB 3.7Å; I66-E70 HydrophobicContact CG2-CG 3.71Å; C67-E70 PolarHBondContact O-N 3.44Å; C67-E70 PolarHBondContact SG-N 2.83Å; C67-E70 VanDerWaalsContact SG-N 3.43Å; E70-K72 VanDerWaalsContact C-N 3.31Å; E70-K72 PolarHBondContact O-N 3.29Å; E70-K73 WeakPolarHBondContact O-CB 3.44Å; E70-K73 PolarHBondContact O-N 3.2Å; E70-K73 VanDerWaalsContact O-N 3.11Å; E70-L74 HydrophobicContact CG-CD1 4.2Å; E70-L74 HydrophobicContact CG-CG 4.47Å; E70-L74 WeakPolarHBondContact O-CG 3.42Å; E70-L74 PolarHBondContact O-N 2.73Å
71A97.5Very high96Very high0 Ų066.3 Ų66.30%035%0.353CS..Hα-helixtrans-59-41.2174.800000112.2Q35 A36 I66 C67 R68 Y75Q35-A71 HydrophobicContact CB-CB 3.89Å; Q35-A71 HydrophobicContact CG-CB 3.87Å; A36-A71 HydrophobicContact CB-CB 3.97Å; I66-A71 HydrophobicContact CG2-CB 4.19Å; C67-A71 WeakPolarHBondContact O-CB 3.27Å; C67-A71 PolarHBondContact O-N 3.45Å; R68-A71 PolarHBondContact O-N 2.89Å; A71-Y75 WeakPolarHBondContact O-CB 3.31Å; A71-Y75 PolarHBondContact O-N 3.19Å
72K97.5Very high95.9Very high36 Ų3663.7 Ų63.716%0.15734%0.339CS..Hα-helixtrans-63.1-43.8173.3-71173.1177.1176.90111.7I3 T4 F7 A36 R68 E69 E70 Y75 V76I3-K72 HydrophobicContact CG1-CB 3.75Å; I3-K72 HydrophobicContact CG2-CD 4.31Å; T4-K72 PolarHBondContact OG1-NZ 3.25Å; F7-K72 HydrophobicContact CB-CB 4.12Å; F7-K72 HydrophobicContact CB-CD 4.41Å; F7-K72 HydrophobicContact CB-CG 4.05Å; F7-K72 HydrophobicContact CD1-CG 4.38Å; F7-K72 HydrophobicContact CD2-CB 4.17Å; F7-K72 HydrophobicContact CD2-CG 3.96Å; F7-K72 HydrophobicContact CE2-CG 4.5Å; F7-K72 HydrophobicContact CG-CB 4.29Å; F7-K72 HydrophobicContact CG-CG 3.88Å; A36-K72 HydrophobicContact CB-CG 3.66Å; R68-K72 VanDerWaalsContact O-CG 3.3Å; R68-K72 WeakPolarHBondContact O-CG 3.3Å; R68-K72 PolarHBondContact O-N 3.44Å; E69-K72 PolarHBondContact O-N 3.32Å; E70-K72 VanDerWaalsContact C-N 3.31Å; E70-K72 PolarHBondContact O-N 3.29Å; K72-Y75 WeakPolarHBondContact O-CB 3.41Å; K72-Y75 PolarHBondContact O-N 2.86Å; K72-V76 WeakPolarHBondContact O-CG2 3.44Å; K72-V76 PolarHBondContact O-N 2.81Å
73K96.5Very high95.9Very high148 Ų14862.1 Ų62.164%0.64332%0.315SS*.Hα-helixtrans-59.2-49.3177.7-171.5-177.6178.5-175.40111.7I3 E69 E70 Y75 V76 D77I3-K73 HydrophobicContact CD1-CB 4.38Å; E69-K73 PolarHBondContact O-N 2.95Å; E70-K73 WeakPolarHBondContact O-CB 3.44Å; E70-K73 PolarHBondContact O-N 3.2Å; E70-K73 VanDerWaalsContact O-N 3.11Å; K73-Y75 VanDerWaalsContact C-N 3.33Å; K73-Y75 PolarHBondContact O-N 3.38Å; K73-V76 PolarHBondContact O-N 2.86Å; K73-D77 PolarHBondContact O-N 3.49Å
74L97.2Very high95.8Very high63 Ų6364.1 Ų64.133%0.3334%0.34SS..Hα-helixtrans-62.6-39.6176.6-68.6172.5000111.7L32 I66 E70 D77 K78L32-L74 HydrophobicContact CD1-CB 3.93Å; L32-L74 HydrophobicContact CD2-CB 3.65Å; L32-L74 HydrophobicContact CD2-CD1 3.93Å; L32-L74 HydrophobicContact CD2-CG 4.47Å; L32-L74 HydrophobicContact CG-CB 4.42Å; I66-L74 HydrophobicContact CD1-CD1 4.28Å; E70-L74 HydrophobicContact CG-CD1 4.2Å; E70-L74 HydrophobicContact CG-CG 4.47Å; E70-L74 WeakPolarHBondContact O-CG 3.42Å; E70-L74 PolarHBondContact O-N 2.73Å; L74-D77 PolarHBondContact O-N 3.06Å; L74-K78 WeakPolarHBondContact O-CB 3.28Å; L74-K78 PolarHBondContact O-N 3.05Å
75Y97.6Very high95.8Very high12 Ų1265.6 Ų65.65%0.04735%0.347CS..Hα-helixtrans-62-47.1176.6-174.7-84.9000111.6F7 A11 V14 L29 L32 Y33 A71 K72 K73 D77 K78 A79F7-Y75 AromaticContact CD2-CD1 3.49Å; F7-Y75 HydrophobicContact CD2-CD1 3.49Å; F7-Y75 VanDerWaalsContact CD2-CD1 3.49Å; F7-Y75 HydrophobicContact CD2-CE1 4.19Å; F7-Y75 AromaticContact CD2-CG 3.72Å; F7-Y75 HydrophobicContact CD2-CG 3.72Å; F7-Y75 AromaticContact CE2-CD1 3.64Å; F7-Y75 HydrophobicContact CE2-CD1 3.64Å; F7-Y75 AromaticContact CE2-CD2 3.97Å; F7-Y75 HydrophobicContact CE2-CD2 3.97Å; F7-Y75 HydrophobicContact CE2-CE1 4.13Å; F7-Y75 HydrophobicContact CE2-CE2 4.42Å; F7-Y75 AromaticContact CE2-CG 3.55Å; F7-Y75 HydrophobicContact CE2-CG 3.55Å; A11-Y75 WeakPolarHBondContact CA-OH 3.45Å; A11-Y75 HydrophobicContact CB-CE1 3.89Å; V14-Y75 VanDerWaalsContact CG2-OH 3.31Å; V14-Y75 WeakPolarHBondContact CG2-OH 3.3Å; L29-Y75 HydrophobicContact CB-CE2 4.01Å; L29-Y75 HydrophobicContact CD2-CD2 3.99Å; L29-Y75 HydrophobicContact CD2-CE2 3.71Å; L29-Y75 HydrophobicContact CG-CE2 4.44Å; L29-Y75 WeakPolarHBondContact O-CD2 3.33Å; L29-Y75 VanDerWaalsContact O-CE2 3.25Å; L29-Y75 WeakPolarHBondContact O-CE2 3.49Å; L32-Y75 HydrophobicContact CB-CD2 3.93Å; Y33-Y75 HydrophobicContact CD2-CE2 4.18Å; Y33-Y75 HydrophobicContact CG-CE2 4.46Å; A71-Y75 WeakPolarHBondContact O-CB 3.31Å; A71-Y75 PolarHBondContact O-N 3.19Å; K72-Y75 WeakPolarHBondContact O-CB 3.41Å; K72-Y75 PolarHBondContact O-N 2.86Å; K73-Y75 VanDerWaalsContact C-N 3.33Å; K73-Y75 PolarHBondContact O-N 3.38Å; Y75-D77 VanDerWaalsContact C-N 3.35Å; Y75-K78 PolarHBondContact O-N 3.44Å; Y75-A79 HydrophobicContact CE1-CB 4.42Å; Y75-A79 VanDerWaalsContact O-CB 3.24Å; Y75-A79 WeakPolarHBondContact O-CB 3.43Å; Y75-A79 PolarHBondContact O-N 3.36Å
76V97.3Very high95.7Very high4 Ų464 Ų642%0.02432%0.322CS..Hα-helixtrans-62.4-43.4178.81700000110.8I3 E6 F7 K72 K73 A79 K80I3-V76 HydrophobicContact CD1-CB 4.37Å; I3-V76 HydrophobicContact CD1-CG2 3.98Å; E6-V76 HydrophobicContact CB-CG1 4.28Å; E6-V76 HydrophobicContact CB-CG2 3.93Å; F7-V76 HydrophobicContact CB-CG2 4.16Å; K72-V76 WeakPolarHBondContact O-CG2 3.44Å; K72-V76 PolarHBondContact O-N 2.81Å; K73-V76 PolarHBondContact O-N 2.86Å; V76-A79 PolarHBondContact O-N 3.3Å; V76-K80 HydrophobicContact CG1-CD 3.99Å; V76-K80 VanDerWaalsContact CG1-CE 3.45Å; V76-K80 HydrophobicContact CG1-CG 4.42Å; V76-K80 WeakPolarHBondContact O-CB 3.15Å; V76-K80 VanDerWaalsContact O-CG 3.3Å; V76-K80 WeakPolarHBondContact O-CG 3.36Å; V76-K80 PolarHBondContact O-N 2.97Å
77D96.6Very high95.5Very high111 Ų11163.4 Ų63.459%0.59432%0.324SS*.Hα-helixtrans-59.8-50176.3-173.6-97.7000111.6K73 L74 Y75 A79 K80 C81K73-D77 PolarHBondContact O-N 3.49Å; L74-D77 PolarHBondContact O-N 3.06Å; Y75-D77 VanDerWaalsContact C-N 3.35Å; D77-A79 VanDerWaalsContact C-N 3.33Å; D77-A79 PolarHBondContact O-N 3.34Å; D77-K80 PolarHBondContact O-N 2.78Å; D77-C81 PolarHBondContact O-N 2.67Å
78K96.3Very high95.2Very high32 Ų3262.9 Ų62.914%0.13932%0.317CS..Hα-helixtrans-59.8-44176.5-172.269-178.7-160.40111.9D25 E28 L29 L74 Y75 C81 L82D25-K78 WeakPolarHBondContact OD1-CE 3.46Å; D25-K78 IonicContact OD1-NZ 3.38Å; D25-K78 PolarHBondContact OD1-NZ 3.27Å; E28-K78 HydrophobicContact CG-CD 4.49Å; E28-K78 VanDerWaalsContact OE2-CE 3.24Å; E28-K78 WeakPolarHBondContact OE2-CE 3.37Å; E28-K78 IonicContact OE2-NZ 2.69Å; E28-K78 PolarHBondContact OE2-NZ 3.18Å; L29-K78 HydrophobicContact CD2-CB 4.08Å; L29-K78 HydrophobicContact CD2-CG 3.8Å; L29-K78 HydrophobicContact CG-CG 4.23Å; L74-K78 WeakPolarHBondContact O-CB 3.28Å; L74-K78 PolarHBondContact O-N 3.05Å; Y75-K78 PolarHBondContact O-N 3.44Å; K78-C81 WeakPolarHBondContact O-CB 3.44Å; K78-C81 PolarHBondContact O-N 3.34Å; K78-L82 HydrophobicContact CG-CD1 4.22Å; K78-L82 WeakPolarHBondContact O-CG 3.05Å; K78-L82 PolarHBondContact O-N 3.41Å
79A96.2Very high94.7Very high0 Ų061.8 Ų61.80%032%0.318CS..Hα-helixtrans-62.3-44.1177.200000111.8H10 V14 Y75 V76 D77 C81 L82 I83H10-A79 HydrophobicContact CB-CB 3.71Å; V14-A79 HydrophobicContact CG1-CB 3.45Å; V14-A79 VanDerWaalsContact CG1-CB 3.45Å; Y75-A79 HydrophobicContact CE1-CB 4.42Å; Y75-A79 VanDerWaalsContact O-CB 3.24Å; Y75-A79 WeakPolarHBondContact O-CB 3.43Å; Y75-A79 PolarHBondContact O-N 3.36Å; V76-A79 PolarHBondContact O-N 3.3Å; D77-A79 VanDerWaalsContact C-N 3.33Å; D77-A79 PolarHBondContact O-N 3.34Å; A79-C81 VanDerWaalsContact C-N 3.33Å; A79-C81 PolarHBondContact O-N 3.5Å; A79-L82 PolarHBondContact O-N 2.84Å; A79-I83 WeakPolarHBondContact O-CB 3.39Å; A79-I83 WeakPolarHBondContact O-CD1 3.33Å; A79-I83 WeakPolarHBondContact O-CG1 3.4Å; A79-I83 PolarHBondContact O-N 3.25Å
80K95.5Very high93.8Very high94 Ų9464 Ų6441%0.40935%0.349SS..Hα-helixtrans-59-44.2174.8-75.6172.9-178.5169.60111.2E6 H10 V76 D77 L82 I83 A84E6-K80 IonicContact OE2-NZ 2.74Å; E6-K80 PolarHBondContact OE2-NZ 2.92Å; H10-K80 VanDerWaalsContact NE2-CE 3.3Å; H10-K80 WeakPolarHBondContact NE2-CE 3.42Å; H10-K80 WeakPolarHBondContact NE2-CG 3.21Å; V76-K80 HydrophobicContact CG1-CD 3.99Å; V76-K80 VanDerWaalsContact CG1-CE 3.45Å; V76-K80 HydrophobicContact CG1-CG 4.42Å; V76-K80 WeakPolarHBondContact O-CB 3.15Å; V76-K80 VanDerWaalsContact O-CG 3.3Å; V76-K80 WeakPolarHBondContact O-CG 3.36Å; V76-K80 PolarHBondContact O-N 2.97Å; D77-K80 PolarHBondContact O-N 2.78Å; K80-L82 PolarHBondContact O-N 3.28Å; K80-I83 PolarHBondContact O-N 3.46Å; K80-A84 WeakPolarHBondContact O-CB 3.38Å; K80-A84 PolarHBondContact O-N 2.82Å
81C95.4Very high93.7Very high73 Ų7362.3 Ų62.349%0.49334%0.343SS..Hα-helixtrans-59.1-46.9175.5-1770000111.9D77 K78 A79 A84 K85D77-C81 PolarHBondContact O-N 2.67Å; K78-C81 WeakPolarHBondContact O-CB 3.44Å; K78-C81 PolarHBondContact O-N 3.34Å; A79-C81 VanDerWaalsContact C-N 3.33Å; A79-C81 PolarHBondContact O-N 3.5Å; C81-A84 PolarHBondContact O-N 3.44Å; C81-K85 WeakPolarHBondContact O-CB 3.35Å; C81-K85 PolarHBondContact O-N 2.9Å
82L95.6Very high93.5Very high2 Ų265.6 Ų65.61%0.0136%0.361CS..Hα-helixtrans-68.3-38.4179.8-68.5172.8000112.8L17 P21 D25 L29 K78 A79 K80 K85 H86L17-L82 HydrophobicContact CD1-CB 4.07Å; P21-L82 HydrophobicContact CB-CD1 4.38Å; P21-L82 HydrophobicContact CB-CD2 3.95Å; P21-L82 HydrophobicContact CG-CD1 4.08Å; P21-L82 HydrophobicContact CG-CD2 4.07Å; D25-L82 HydrophobicContact CB-CD1 4.25Å; D25-L82 HydrophobicContact CB-CD2 3.93Å; L29-L82 HydrophobicContact CD1-CD1 3.46Å; L29-L82 VanDerWaalsContact CD1-CD1 3.46Å; L29-L82 HydrophobicContact CD2-CD1 4.22Å; L29-L82 HydrophobicContact CG-CD1 3.89Å; K78-L82 HydrophobicContact CG-CD1 4.22Å; K78-L82 WeakPolarHBondContact O-CG 3.05Å; K78-L82 PolarHBondContact O-N 3.41Å; A79-L82 PolarHBondContact O-N 2.84Å; K80-L82 PolarHBondContact O-N 3.28Å; L82-K85 PolarHBondContact O-N 3.1Å; L82-H86 WeakPolarHBondContact O-CB 3.45Å; L82-H86 PolarHBondContact O-CD2 3.45Å; L82-H86 PolarHBondContact O-N 2.94Å
83I94.3Very high93.2Very high31 Ų3167.2 Ų67.216%0.15937%0.373CS..Hα-helixtrans-61.6-45.3173.5-71.9163.6000110.4K13 L17 A79 K80 K85 G87 L88K13-I83 HydrophobicContact CB-CD1 3.65Å; K13-I83 HydrophobicContact CB-CG1 4.41Å; K13-I83 HydrophobicContact CD-CD1 3.96Å; K13-I83 HydrophobicContact CG-CD1 4.42Å; L17-I83 HydrophobicContact CD2-CB 4.33Å; L17-I83 HydrophobicContact CD2-CG1 3.77Å; A79-I83 WeakPolarHBondContact O-CB 3.39Å; A79-I83 WeakPolarHBondContact O-CD1 3.33Å; A79-I83 WeakPolarHBondContact O-CG1 3.4Å; A79-I83 PolarHBondContact O-N 3.25Å; K80-I83 PolarHBondContact O-N 3.46Å; I83-K85 VanDerWaalsContact C-N 3.3Å; I83-K85 PolarHBondContact O-N 3.13Å; I83-G87 WeakPolarHBondContact O-CA 3.43Å; I83-G87 PolarHBondContact O-N 2.8Å; I83-L88 HydrophobicContact CD1-CD1 4.43Å; I83-L88 HydrophobicContact CG1-CD1 4.34Å; I83-L88 HydrophobicContact CG1-CD2 4.05Å; I83-L88 HydrophobicContact CG1-CG 4.21Å; I83-L88 HydrophobicContact CG2-CD1 3.75Å; I83-L88 HydrophobicContact CG2-CG 3.86Å
84A93.9Very high93.1Very high88 Ų8862.5 Ų62.573%0.72736%0.357SS*.Hα-helixtrans-64.6-35.8177.100000112.1K80 C81K80-A84 WeakPolarHBondContact O-CB 3.38Å; K80-A84 PolarHBondContact O-N 2.82Å; C81-A84 PolarHBondContact O-N 3.44Å
85K93.7Very high92.8Very high138 Ų13862.4 Ų62.460%0.636%0.358SS*.Hα-helixtrans-78.7-42.8-177.8-175.2175.3-179.6177.50114C81 L82 I83C81-K85 WeakPolarHBondContact O-CB 3.35Å; C81-K85 PolarHBondContact O-N 2.9Å; L82-K85 PolarHBondContact O-N 3.1Å; I83-K85 VanDerWaalsContact C-N 3.3Å; I83-K85 PolarHBondContact O-N 3.13Å
86H92.8Very high92.5Very high33 Ų3365.8 Ų65.815%0.15338%0.379CS..Hα-helixtrans-103.7-19.2-172.9-64.7-68.5000113.1L17 L82L17-H86 HydrophobicContact CB-CB 4.42Å; L17-H86 HydrophobicContact CD2-CB 4.37Å; L82-H86 WeakPolarHBondContact O-CB 3.45Å; L82-H86 PolarHBondContact O-CD2 3.45Å; L82-H86 PolarHBondContact O-N 2.94Å
87G91.2Very high92.1Very high24 Ų2470.2 Ų70.225%0.24740%0.404CS..  trans74.4164.3-172.100000113L17 K18 I83L17-G87 WeakPolarHBondContact CA-O 3.39Å; L17-G87 WeakPolarHBondContact CD2-O 3.4Å; K18-G87 PolarHBondContact N-O 2.84Å; K18-G87 VanDerWaalsContact N-O 3.1Å; I83-G87 WeakPolarHBondContact O-CA 3.43Å; I83-G87 PolarHBondContact O-N 2.8Å
88L89.1Confident91.8Very high54 Ų5467.1 Ų67.128%0.28339%0.39SS..BIsolated β-bridgetrans-105.1137.8175-72.5168.7000110.5K13 K16 L17 K18 I83 S90K13-L88 HydrophobicContact CB-CD1 4.29Å; K13-L88 HydrophobicContact CB-CD2 3.87Å; K13-L88 HydrophobicContact CD-CD1 4.19Å; K13-L88 HydrophobicContact CG-CD1 4.12Å; K13-L88 HydrophobicContact CG-CD2 4.44Å; K13-L88 WeakPolarHBondContact O-CD2 3.43Å; K16-L88 HydrophobicContact CB-CD2 4.26Å; K16-L88 CarbonylContact O-C 3.59Å; K16-L88 WeakPolarHBondContact O-CA 3.17Å; L17-L88 HydrophobicContact CD2-CD2 4.04Å; K18-L88 WeakPolarHBondContact CE-O 3.16Å; I83-L88 HydrophobicContact CD1-CD1 4.43Å; I83-L88 HydrophobicContact CG1-CD1 4.34Å; I83-L88 HydrophobicContact CG1-CD2 4.05Å; I83-L88 HydrophobicContact CG1-CG 4.21Å; I83-L88 HydrophobicContact CG2-CD1 3.75Å; I83-L88 HydrophobicContact CG2-CG 3.86Å; L88-S90 PolarHBondContact O-N 3.43Å
89E83.9Confident91.4Very high117 Ų11770 Ų7055%0.54741%0.411SS..  trans-62127.2165.7-64.6-175.6118.800108.4K16 K18K16-E89 PolarHBondContact O-N 3.38Å; K18-E89 HydrophobicContact CB-CG 4.22Å; K18-E89 HydrophobicContact CG-CB 4.49Å; K18-E89 HydrophobicContact CG-CG 3.67Å
90S75.4Confident91Very high186 Ų18676.4 Ų76.4100%1.30145%0.448SS*.  trans-77.10-179.6-67.20000111.6L88L88-S90 PolarHBondContact O-N 3.43Å

Retrieved 90 of 90 residues in 110.5 ms (Link to these results)

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