A0A3Q0KGT3_SCHMA Loading...

F-box domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KGT3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 227 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
1M47.7Very low71.7Confident192 Ų19282.4 Ų82.495%0.94641%0.407SS*.  0112.80-151.8169.978.200105.9H3M1-H3 PolarHBondContact O-N 3.47Å; M1-H3 VanDerWaalsContact O-N 3.12Å
2K54.9Low72.9Confident153 Ų15383.8 Ų83.867%0.66543%0.427SS*.  trans-65.4114.8177.4-148.6-179.7-176.8-1720105.2D4 E78K2-D4 PolarHBondContact O-N 2.82Å; K2-E78 IonicContact NZ-OE1 3.54Å; K2-E78 PolarHBondContact NZ-OE1 3.29Å; K2-E78 IonicContact NZ-OE2 3.47Å; K2-E78 PolarHBondContact NZ-OE2 3.36Å
3H60.9Low74Confident119 Ų11985.2 Ų85.255%0.55144%0.435SS*.  trans-71.682.4174.4-75.9-74.1000107M1 A104 G105M1-H3 PolarHBondContact O-N 3.47Å; M1-H3 VanDerWaalsContact O-N 3.12Å; H3-A104 CarbonylContact O-C 3.58Å; H3-G105 WeakPolarHBondContact O-CA 3.33Å
4D71.8Confident74.7Confident38 Ų3880.2 Ų80.220%0.20341%0.409CS..  trans-71.2144.7172.9177.330.9000109.2K2 T6 T7 V8K2-D4 PolarHBondContact O-N 2.82Å; D4-T6 PolarHBondContact O-N 3.33Å; D4-T6 VanDerWaalsContact O-N 3.16Å; D4-T6 WeakPolarHBondContact OD2-CB 3.39Å; D4-T6 VanDerWaalsContact OD2-CG2 3.25Å; D4-T6 WeakPolarHBondContact OD2-CG2 3.3Å; D4-T6 PolarHBondContact OD2-OG1 2.97Å; D4-T7 WeakPolarHBondContact O-CB 3.43Å; D4-T7 PolarHBondContact O-N 3.21Å; D4-V8 PolarHBondContact O-N 3.25Å
5I74.7Confident75.2Confident0 Ų079.6 Ų79.60%042%0.421CS..Hα-helixtrans-55.4-32.8178.6-173158.7000112.1T7 V8 L9 I25 Y74 I102 L107I5-T7 PolarHBondContact O-N 3.03Å; I5-V8 WeakPolarHBondContact O-CB 3.28Å; I5-V8 PolarHBondContact O-N 3.01Å; I5-L9 HydrophobicContact CD1-CD1 4.2Å; I5-L9 HydrophobicContact CG1-CD1 3.68Å; I5-L9 HydrophobicContact CG1-CG 3.84Å; I5-L9 WeakPolarHBondContact O-CG 3.25Å; I5-L9 PolarHBondContact O-N 3.26Å; I5-I25 HydrophobicContact CD1-CD1 4.33Å; I5-Y74 HydrophobicContact CB-CE1 4.43Å; I5-Y74 HydrophobicContact CD1-CE1 3.88Å; I5-Y74 HydrophobicContact CG2-CD1 3.47Å; I5-Y74 VanDerWaalsContact CG2-CD1 3.47Å; I5-Y74 HydrophobicContact CG2-CD2 3.65Å; I5-Y74 HydrophobicContact CG2-CE1 3.61Å; I5-Y74 HydrophobicContact CG2-CE2 3.75Å; I5-Y74 HydrophobicContact CG2-CG 3.51Å; I5-I102 HydrophobicContact CD1-CB 4.48Å; I5-I102 HydrophobicContact CD1-CG2 3.24Å; I5-L107 HydrophobicContact CD1-CD1 4.23Å; I5-L107 HydrophobicContact CD1-CD2 3.89Å; I5-L107 HydrophobicContact CD1-CG 4.45Å; I5-L107 HydrophobicContact CG1-CD1 4.36Å
6T74.1Confident76Confident46 Ų4685.3 Ų85.328%0.28244%0.437SS..Hα-helixtrans-63.1-30.8178.368.70000111.9D4 K10D4-T6 PolarHBondContact O-N 3.33Å; D4-T6 VanDerWaalsContact O-N 3.16Å; D4-T6 WeakPolarHBondContact OD2-CB 3.39Å; D4-T6 VanDerWaalsContact OD2-CG2 3.25Å; D4-T6 WeakPolarHBondContact OD2-CG2 3.3Å; D4-T6 PolarHBondContact OD2-OG1 2.97Å; T6-K10 VanDerWaalsContact O-CD 3.23Å; T6-K10 WeakPolarHBondContact O-CD 3.42Å; T6-K10 WeakPolarHBondContact O-CG 3.48Å; T6-K10 PolarHBondContact O-N 3.24Å
7T78.6Confident76.8Confident75 Ų7586.1 Ų86.146%0.4643%0.434SS..Hα-helixtrans-75.2-42176.7-58.20000110.7D4 I5 K10D4-T7 WeakPolarHBondContact O-CB 3.43Å; D4-T7 PolarHBondContact O-N 3.21Å; I5-T7 PolarHBondContact O-N 3.03Å; T7-K10 PolarHBondContact O-N 3.15Å
8V79.8Confident77.3Confident22 Ų2291.2 Ų91.213%0.13345%0.453CS..Hα-helixtrans-59.4-53.9176.1168.20000110.6D4 I5 K10 N11 I14 L107 Y109D4-V8 PolarHBondContact O-N 3.25Å; I5-V8 WeakPolarHBondContact O-CB 3.28Å; I5-V8 PolarHBondContact O-N 3.01Å; V8-K10 PolarHBondContact O-N 3.44Å; V8-K10 VanDerWaalsContact O-N 3.16Å; V8-N11 WeakPolarHBondContact O-CB 3.4Å; V8-N11 PolarHBondContact O-N 2.97Å; V8-I14 HydrophobicContact CG1-CD1 3.82Å; V8-I14 VanDerWaalsContact O-CD1 3.3Å; V8-I14 WeakPolarHBondContact O-CD1 3.49Å; V8-L107 HydrophobicContact CG1-CD1 3.83Å; V8-Y109 HydrophobicContact CG1-CE1 3.87Å; V8-Y109 WeakPolarHBondContact CG1-OH 3.45Å
9L78.4Confident77.9Confident32 Ų3287.5 Ų87.517%0.16844%0.435CS..Hα-helixtrans-65.9-19.8-175-66.1175.7000113.4I5 N11 F20 I25 L107I5-L9 HydrophobicContact CD1-CD1 4.2Å; I5-L9 HydrophobicContact CG1-CD1 3.68Å; I5-L9 HydrophobicContact CG1-CG 3.84Å; I5-L9 WeakPolarHBondContact O-CG 3.25Å; I5-L9 PolarHBondContact O-N 3.26Å; L9-N11 PolarHBondContact O-N 3Å; L9-F20 HydrophobicContact CD2-CB 4.27Å; L9-F20 HydrophobicContact CD2-CD2 3.71Å; L9-F20 HydrophobicContact CD2-CE2 4.27Å; L9-F20 HydrophobicContact CD2-CG 4Å; L9-I25 HydrophobicContact CD1-CD1 3.57Å; L9-I25 HydrophobicContact CD2-CD1 4.11Å; L9-I25 HydrophobicContact CG-CD1 4.48Å; L9-L107 HydrophobicContact CD2-CD1 4.18Å
10K82.6Confident78.4Confident161 Ų16184 Ų8470%0.742%0.417SS*.THydrogen-bonded Turntrans-76.4-5.5173.3-75.9170.2-170.7173.70113.7T6 T7 V8T6-K10 VanDerWaalsContact O-CD 3.23Å; T6-K10 WeakPolarHBondContact O-CD 3.42Å; T6-K10 WeakPolarHBondContact O-CG 3.48Å; T6-K10 PolarHBondContact O-N 3.24Å; T7-K10 PolarHBondContact O-N 3.15Å; V8-K10 PolarHBondContact O-N 3.44Å; V8-K10 VanDerWaalsContact O-N 3.16Å
11N85.4Confident78.8Confident68 Ų6884 Ų8436%0.36442%0.418SS..  trans-62.5125.8178.3-174.1-34.1000110.4V8 L9 L13 I14 A15V8-N11 WeakPolarHBondContact O-CB 3.4Å; V8-N11 PolarHBondContact O-N 2.97Å; L9-N11 PolarHBondContact O-N 3Å; N11-L13 PolarHBondContact O-N 3.05Å; N11-L13 WeakPolarHBondContact OD1-CB 3.37Å; N11-L13 PolarHBondContact OD1-N 2.85Å; N11-I14 HydrophobicContact CB-CB 4.31Å; N11-I14 HydrophobicContact CB-CD1 4.03Å; N11-I14 HydrophobicContact CB-CG1 4.25Å; N11-I14 WeakPolarHBondContact O-CB 3.45Å; N11-I14 PolarHBondContact O-N 3.36Å; N11-I14 VanDerWaalsContact O-N 3.08Å; N11-A15 PolarHBondContact O-N 3.16Å
12P86.4Confident80.7Confident100 Ų10078.7 Ų78.765%0.64940%0.398SS*.Hα-helixtrans-61.1-29.2-178.524.4-34.9000113.4A15 Y16P12-A15 PolarHBondContact O-N 3.4Å; P12-Y16 VanDerWaalsContact O-CB 3.31Å; P12-Y16 WeakPolarHBondContact O-CB 3.33Å; P12-Y16 PolarHBondContact O-N 3.25Å
13L86.5Confident82.4Confident101 Ų10178.6 Ų78.653%0.52940%0.4SS..Hα-helixtrans-68.6-36.5176.8-64.9177.5000111.9N11 A15 Y16 Y17N11-L13 PolarHBondContact O-N 3.05Å; N11-L13 WeakPolarHBondContact OD1-CB 3.37Å; N11-L13 PolarHBondContact OD1-N 2.85Å; L13-A15 VanDerWaalsContact C-N 3.31Å; L13-A15 PolarHBondContact O-N 2.87Å; L13-Y16 PolarHBondContact O-N 2.91Å; L13-Y17 HydrophobicContact CB-CD2 4.49Å; L13-Y17 HydrophobicContact CD2-CE2 4.25Å; L13-Y17 WeakPolarHBondContact O-CD2 3.39Å; L13-Y17 PolarHBondContact O-N 3.45Å
14I83.9Confident83.9Confident16 Ų1675.6 Ų75.68%0.08239%0.388CS..Hα-helixtrans-62.7-43.1175.8-79.4172.1000110.3V8 N11 K18 I19 F20 Y109V8-I14 HydrophobicContact CG1-CD1 3.82Å; V8-I14 VanDerWaalsContact O-CD1 3.3Å; V8-I14 WeakPolarHBondContact O-CD1 3.49Å; N11-I14 HydrophobicContact CB-CB 4.31Å; N11-I14 HydrophobicContact CB-CD1 4.03Å; N11-I14 HydrophobicContact CB-CG1 4.25Å; N11-I14 WeakPolarHBondContact O-CB 3.45Å; N11-I14 PolarHBondContact O-N 3.36Å; N11-I14 VanDerWaalsContact O-N 3.08Å; I14-K18 WeakPolarHBondContact O-CA 3.42Å; I14-K18 PolarHBondContact O-N 3.01Å; I14-K18 VanDerWaalsContact O-N 3.1Å; I14-I19 HydrophobicContact CG1-CD1 4.09Å; I14-I19 HydrophobicContact CG2-CB 4.44Å; I14-I19 PolarHBondContact O-N 3.32Å; I14-I19 VanDerWaalsContact O-N 3.1Å; I14-F20 HydrophobicContact CD1-CD2 4.45Å; I14-F20 HydrophobicContact CD1-CE2 4.02Å; I14-F20 HydrophobicContact CG1-CE2 4.32Å; I14-F20 HydrophobicContact CG2-CD2 3.6Å; I14-F20 HydrophobicContact CG2-CE2 4.2Å; I14-Y109 HydrophobicContact CD1-CE1 3.98Å
15A82.8Confident84.8Confident71 Ų7173.9 Ų73.959%0.58738%0.379SS*.Hα-helixtrans-67.9-43176.800000112N11 P12 L13 K18N11-A15 PolarHBondContact O-N 3.16Å; P12-A15 PolarHBondContact O-N 3.4Å; L13-A15 VanDerWaalsContact C-N 3.31Å; L13-A15 PolarHBondContact O-N 2.87Å; A15-K18 PolarHBondContact O-N 3.1Å
16Y88.2Confident85.7Confident171 Ų17174.3 Ų74.367%0.67138%0.383SS*.Hα-helixtrans-62.1-48.8-179-179.9-98.6000112.2P12 L13 K18P12-Y16 VanDerWaalsContact O-CB 3.31Å; P12-Y16 WeakPolarHBondContact O-CB 3.33Å; P12-Y16 PolarHBondContact O-N 3.25Å; L13-Y16 PolarHBondContact O-N 2.91Å; Y16-K18 VanDerWaalsContact C-N 3.26Å; Y16-K18 PolarHBondContact O-N 3.21Å
17Y88.4Confident86.7Confident98 Ų9877 Ų7738%0.38439%0.392SS..THydrogen-bonded Turntrans-852.7179.6-67.3-63.6000113.8L13 I19 I117L13-Y17 HydrophobicContact CB-CD2 4.49Å; L13-Y17 HydrophobicContact CD2-CE2 4.25Å; L13-Y17 WeakPolarHBondContact O-CD2 3.39Å; L13-Y17 PolarHBondContact O-N 3.45Å; Y17-I19 PolarHBondContact O-N 3.39Å; Y17-I117 HydrophobicContact CD1-CD1 3.37Å; Y17-I117 HydrophobicContact CD2-CD1 4.16Å; Y17-I117 HydrophobicContact CE1-CD1 3.29Å; Y17-I117 HydrophobicContact CE1-CG1 4.35Å; Y17-I117 HydrophobicContact CE2-CD1 4.09Å; Y17-I117 HydrophobicContact CG-CD1 3.81Å
18K87.2Confident87.6Confident179 Ų17976.1 Ų76.178%0.77838%0.382SS*.THydrogen-bonded Turntrans50.242.1179.7-57178.8-179177.30112.7I14 A15 Y16 F20I14-K18 WeakPolarHBondContact O-CA 3.42Å; I14-K18 PolarHBondContact O-N 3.01Å; I14-K18 VanDerWaalsContact O-N 3.1Å; A15-K18 PolarHBondContact O-N 3.1Å; Y16-K18 VanDerWaalsContact C-N 3.26Å; Y16-K18 PolarHBondContact O-N 3.21Å; K18-F20 PolarHBondContact O-N 3.14Å
19I88.4Confident88.5Confident21 Ų2178.2 Ų78.211%0.10840%0.401CS..  trans-63.4-32.4-174.6-58.9-177.6000111.1I14 Y17 R112 I113I14-I19 HydrophobicContact CG1-CD1 4.09Å; I14-I19 HydrophobicContact CG2-CB 4.44Å; I14-I19 PolarHBondContact O-N 3.32Å; I14-I19 VanDerWaalsContact O-N 3.1Å; Y17-I19 PolarHBondContact O-N 3.39Å; I19-R112 HydrophobicContact CG2-CB 3.67Å; I19-R112 WeakPolarHBondContact O-CB 3.16Å; I19-I113 HydrophobicContact CD1-CG1 4.22Å
20F86.7Confident89.4Confident17 Ų1777.9 Ų77.98%0.07540%0.403CS..SBendtrans-125.9140.2176.2-57-81.8000110.4L9 I14 K18 I25 L107 Y109L9-F20 HydrophobicContact CD2-CB 4.27Å; L9-F20 HydrophobicContact CD2-CD2 3.71Å; L9-F20 HydrophobicContact CD2-CE2 4.27Å; L9-F20 HydrophobicContact CD2-CG 4Å; I14-F20 HydrophobicContact CD1-CD2 4.45Å; I14-F20 HydrophobicContact CD1-CE2 4.02Å; I14-F20 HydrophobicContact CG1-CE2 4.32Å; I14-F20 HydrophobicContact CG2-CD2 3.6Å; I14-F20 HydrophobicContact CG2-CE2 4.2Å; K18-F20 PolarHBondContact O-N 3.14Å; F20-I25 HydrophobicContact CD1-CG2 4.2Å; F20-L107 HydrophobicContact CE1-CB 4.08Å; F20-L107 HydrophobicContact CE1-CD1 3.86Å; F20-L107 HydrophobicContact CE1-CD2 4.42Å; F20-L107 HydrophobicContact CE1-CG 4.35Å; F20-L107 HydrophobicContact CE2-CD1 3.83Å; F20-L107 HydrophobicContact CZ-CB 3.71Å; F20-L107 HydrophobicContact CZ-CD1 3.43Å; F20-L107 VanDerWaalsContact CZ-CD1 3.43Å; F20-L107 HydrophobicContact CZ-CG 4.1Å; F20-Y109 AromaticContact CE2-CD1 3.72Å; F20-Y109 HydrophobicContact CE2-CD1 3.72Å; F20-Y109 AromaticContact CE2-CE1 3.73Å; F20-Y109 HydrophobicContact CE2-CE1 3.73Å; F20-Y109 AromaticContact CZ-CD1 3.57Å; F20-Y109 HydrophobicContact CZ-CD1 3.57Å; F20-Y109 AromaticContact CZ-CE1 3.72Å; F20-Y109 HydrophobicContact CZ-CE1 3.72Å
21D88.3Confident90Very high84 Ų8475.6 Ų75.645%0.44940%0.397SS..BIsolated β-bridgetrans-78.2118.7160.2-179.8-8.6000108.2E23 N24 I25D21-E23 PolarHBondContact O-N 3.17Å; D21-E23 PolarHBondContact OD1-N 3.49Å; D21-N24 CarbonylContact O-C 3.46Å; D21-N24 VanDerWaalsContact O-C 3.23Å; D21-N24 PolarHBondContact O-N 3.31Å; D21-N24 VanDerWaalsContact O-N 3.14Å; D21-I25 PolarHBondContact O-N 3.41Å
22P85.9Confident90.5Very high80 Ų8072.6 Ų72.652%0.51938%0.382SS..THydrogen-bonded Turntrans-62.1-22.7-179.226.5-35.8000113.5S46P22-S46 WeakPolarHBondContact O-CB 3.41Å; P22-S46 PolarHBondContact O-N 3.34Å; P22-S46 PolarHBondContact O-OG 3.47Å
23E90.6Very high90.9Very high151 Ų15170.9 Ų70.971%0.70637%0.371SS*.THydrogen-bonded Turntrans-88-22.8178.2-60.7-165.4169.600112.9D21 T45D21-E23 PolarHBondContact O-N 3.17Å; D21-E23 PolarHBondContact OD1-N 3.49Å; E23-T45 WeakPolarHBondContact O-CG2 3.25Å
24N92.4Very high91.1Very high56 Ų5670.5 Ų70.530%0.29938%0.382SS..BIsolated β-bridgetrans-146.482.2-178.1-171.1-7.1000111.2D21 L43D21-N24 CarbonylContact O-C 3.46Å; D21-N24 VanDerWaalsContact O-C 3.23Å; D21-N24 PolarHBondContact O-N 3.31Å; D21-N24 VanDerWaalsContact O-N 3.14Å; N24-L43 HydrophobicContact CB-CD1 4.2Å
25I91.9Very high91.3Very high3 Ų376.5 Ų76.52%0.01542%0.422CS..SBendtrans-69.2-47.9171.5-66.2-176000109.1I5 L9 F20 D21 I44 L107 R112I5-I25 HydrophobicContact CD1-CD1 4.33Å; L9-I25 HydrophobicContact CD1-CD1 3.57Å; L9-I25 HydrophobicContact CD2-CD1 4.11Å; L9-I25 HydrophobicContact CG-CD1 4.48Å; F20-I25 HydrophobicContact CD1-CG2 4.2Å; D21-I25 PolarHBondContact O-N 3.41Å; I25-I44 HydrophobicContact CB-CG2 4.47Å; I25-I44 PolarHBondContact N-O 3.31Å; I25-L107 HydrophobicContact CG2-CD2 4.46Å; I25-R112 VanDerWaalsContact O-CZ 3.22Å; I25-R112 PolarHBondContact O-NH1 3.43Å; I25-R112 PolarHBondContact O-NH2 3.18Å
26A93.4Very high91.5Very high9 Ų974.7 Ų74.77%0.07441%0.405CS..EExtended strand (participates in β ladder)trans-153.8153.2176.100000110.7F28 I44 Y98 I102A26-F28 HydrophobicContact CB-CE2 3.91Å; A26-F28 HydrophobicContact CB-CZ 4.31Å; A26-I44 HydrophobicContact CB-CB 4.37Å; A26-I44 HydrophobicContact CB-CD1 4.14Å; A26-I44 PolarHBondContact N-O 3Å; A26-I44 PolarHBondContact O-N 3.29Å; A26-Y98 HydrophobicContact CB-CE1 3.71Å; A26-I102 HydrophobicContact CB-CD1 4.44Å
27Q95.9Very high91.6Very high103 Ų10374 Ų7448%0.48141%0.406SS..EExtended strand (participates in β ladder)trans-142.9136.4-177.6-177.2177.876.900110.2H41 L42 L43Q27-H41 WeakPolarHBondContact CG-NE2 3.31Å; Q27-H41 PolarHBondContact NE2-CE1 3.19Å; Q27-H41 VanDerWaalsContact NE2-CE1 3.28Å; Q27-H41 PolarHBondContact NE2-NE2 2.82Å; Q27-L42 CarbonylContact C-O 3.51Å; Q27-L42 VanDerWaalsContact CA-O 3.31Å; Q27-L42 WeakPolarHBondContact CA-O 3.27Å; Q27-L43 HydrophobicContact CB-CD1 4.39Å
28F97.6Very high91.8Very high56 Ų5670.8 Ų70.825%0.24640%0.395CS..EExtended strand (participates in β ladder)trans-132.4143.9177.9-55.4-86.9000109.9A26 H41 L42 I44 M91 T95 Y98A26-F28 HydrophobicContact CB-CE2 3.91Å; A26-F28 HydrophobicContact CB-CZ 4.31Å; F28-H41 CarbonylContact O-C 3.23Å; F28-H41 WeakPolarHBondContact O-CA 3.35Å; F28-H41 PolarHBondContact O-CD2 2.7Å; F28-L42 HydrophobicContact CB-CB 4.3Å; F28-L42 HydrophobicContact CD2-CD2 4.07Å; F28-L42 HydrophobicContact CD2-CG 4.49Å; F28-L42 PolarHBondContact N-O 3.17Å; F28-L42 PolarHBondContact O-N 3.02Å; F28-I44 HydrophobicContact CE2-CD1 4.09Å; F28-M91 HydrophobicContact CB-CE 4.29Å; F28-M91 HydrophobicContact CB-SD 3.7Å; F28-T95 HydrophobicContact CB-CG2 4.39Å; F28-T95 HydrophobicContact CD1-CG2 3.99Å; F28-T95 HydrophobicContact CD2-CG2 3.99Å; F28-T95 HydrophobicContact CE1-CG2 4.28Å; F28-T95 HydrophobicContact CE2-CG2 4.27Å; F28-T95 HydrophobicContact CG-CG2 3.84Å; F28-T95 HydrophobicContact CZ-CG2 4.41Å; F28-Y98 AromaticContact CE2-CD1 3.85Å; F28-Y98 HydrophobicContact CE2-CD1 3.85Å; F28-Y98 HydrophobicContact CE2-CE1 4.02Å; F28-Y98 AromaticContact CZ-CD1 3.47Å; F28-Y98 HydrophobicContact CZ-CD1 3.47Å; F28-Y98 VanDerWaalsContact CZ-CD1 3.47Å; F28-Y98 AromaticContact CZ-CE1 3.63Å; F28-Y98 HydrophobicContact CZ-CE1 3.63Å; F28-Y98 HydrophobicContact CZ-CG 4.33Å
29A97.4Very high92.2Very high66 Ų6665.8 Ų65.855%0.54537%0.374SS..EExtended strand (participates in β ladder)trans-134.5133.8176.300000108.9F39 Y40A29-F39 HydrophobicContact CB-CE2 3.93Å; A29-F39 HydrophobicContact CB-CZ 3.72Å; A29-Y40 WeakPolarHBondContact CA-O 3.41Å
30A97.4Very high92.6Very high24 Ų2465.6 Ų65.620%0.19837%0.372CS..EExtended strand (participates in β ladder)trans-153.4160.2-177.900000110.9Y40 V90 M91A30-Y40 PolarHBondContact N-O 3.36Å; A30-Y40 PolarHBondContact O-N 2.87Å; A30-V90 HydrophobicContact CB-CG1 3.88Å; A30-M91 HydrophobicContact CB-CG 3.94Å
31I96.2Very high93.2Very high113 Ų11365.8 Ų65.858%0.57937%0.373SS*.EExtended strand (participates in β ladder)trans-103134172.9-61.4172.7000107.3K37 F39I31-K37 HydrophobicContact CG2-CB 4.4Å; I31-F39 HydrophobicContact CG1-CD2 4.29Å
32A95Very high93.6Very high5 Ų561.8 Ų61.84%0.04135%0.351CS..PPolyproline II helixtrans-58.7143.417700000111.2D38 Y40 V90A32-D38 WeakPolarHBondContact CB-O 3.38Å; A32-D38 PolarHBondContact N-O 3.1Å; A32-Y40 HydrophobicContact CB-CD2 4.14Å; A32-Y40 HydrophobicContact CB-CE2 3.86Å; A32-V90 HydrophobicContact CB-CG2 4.17Å
33P94.4Very high94.2Very high64 Ų6459 Ų5942%0.41633%0.332SS..PPolyproline II helixtrans-68.8161.6174.330.1-35.7000111.1S36 R89P33-S36 CarbonylContact C-O 3.56Å; P33-S36 VanDerWaalsContact C-O 3.27Å; P33-S36 PolarHBondContact O-N 3.48Å; P33-S36 VanDerWaalsContact O-N 3.16Å; P33-R89 HydrophobicContact CG-CG 4.15Å
34A90.9Very high94.4Very high94 Ų9451.8 Ų51.878%0.77730%0.298SS*.THydrogen-bonded Turntrans-51.1142.2174.500000111.2
35P88.7Confident94.5Very high141 Ų14149.5 Ų49.592%0.91629%0.286SS*.THydrogen-bonded Turncis-83.9-8.810.234-36.6000114.6
36S86.9Confident94.4Very high33 Ų3350.9 Ų50.923%0.23130%0.296CS..  trans-78.7156.6176.6-1780000110.8P33 D38P33-S36 CarbonylContact C-O 3.56Å; P33-S36 VanDerWaalsContact C-O 3.27Å; P33-S36 PolarHBondContact O-N 3.48Å; P33-S36 VanDerWaalsContact O-N 3.16Å; S36-D38 WeakPolarHBondContact OG-CB 3.39Å; S36-D38 PolarHBondContact OG-N 2.91Å; S36-D38 PolarHBondContact OG-OD2 3.32Å
37K89.9Confident94.3Very high158 Ų15854.4 Ų54.469%0.68732%0.317SS*.  trans-13022.9165.8-68.4-171.6176.9-176.30110.6I31 I56I31-K37 HydrophobicContact CG2-CB 4.4Å; K37-I56 WeakPolarHBondContact O-CB 3.46Å; K37-I56 WeakPolarHBondContact O-CG1 3.48Å
38D93.2Very high94.2Very high30 Ų3052.8 Ų52.816%0.1631%0.308CS..  trans-65.9141.8-177.9-63.2-23.6000109.8A32 S36 Y40 W54 R55 I56A32-D38 WeakPolarHBondContact CB-O 3.38Å; A32-D38 PolarHBondContact N-O 3.1Å; S36-D38 WeakPolarHBondContact OG-CB 3.39Å; S36-D38 PolarHBondContact OG-N 2.91Å; S36-D38 PolarHBondContact OG-OD2 3.32Å; D38-Y40 HydrophobicContact CB-CD2 4.4Å; D38-Y40 HydrophobicContact CB-CE2 3.85Å; D38-W54 WeakPolarHBondContact CA-O 3.05Å; D38-W54 WeakPolarHBondContact CB-O 3.44Å; D38-R55 VanDerWaalsContact OD1-CA 3.25Å; D38-R55 WeakPolarHBondContact OD1-CA 3.37Å; D38-I56 PolarHBondContact OD1-N 2.93Å
39F95Very high94.2Very high74 Ų7450.1 Ų50.133%0.32530%0.297SS..EExtended strand (participates in β ladder)trans-86.7132.7177.9177-105.2000109.2A29 I31 H41 W53 W54A29-F39 HydrophobicContact CB-CE2 3.93Å; A29-F39 HydrophobicContact CB-CZ 3.72Å; I31-F39 HydrophobicContact CG1-CD2 4.29Å; F39-H41 HydrophobicContact CE1-CB 4.29Å; F39-W53 CarbonylContact O-C 3.6Å; F39-W53 WeakPolarHBondContact O-CA 3.39Å; F39-W54 HydrophobicContact CB-CB 4.48Å; F39-W54 HydrophobicContact CD1-CD2 4.14Å; F39-W54 AromaticContact CD1-CE3 3.42Å; F39-W54 HydrophobicContact CD1-CE3 3.42Å; F39-W54 VanDerWaalsContact CD1-CE3 3.42Å; F39-W54 AromaticContact CD1-CZ3 3.76Å; F39-W54 HydrophobicContact CD1-CZ3 3.76Å; F39-W54 AromaticContact CE1-CE3 3.99Å; F39-W54 HydrophobicContact CE1-CE3 3.99Å; F39-W54 AromaticContact CE1-CZ3 3.84Å; F39-W54 HydrophobicContact CE1-CZ3 3.84Å; F39-W54 HydrophobicContact CG-CE3 4.48Å; F39-W54 PolarHBondContact N-O 2.99Å; F39-W54 PolarHBondContact O-N 2.91Å
40Y97.7Very high94.2Very high16 Ų1648.9 Ų48.96%0.06328%0.279CS..EExtended strand (participates in β ladder)trans-118.4143.9178.3-78-110.9000110.5A29 A30 A32 D38 L51 R52 W53 R89 V90A29-Y40 WeakPolarHBondContact CA-O 3.41Å; A30-Y40 PolarHBondContact N-O 3.36Å; A30-Y40 PolarHBondContact O-N 2.87Å; A32-Y40 HydrophobicContact CB-CD2 4.14Å; A32-Y40 HydrophobicContact CB-CE2 3.86Å; D38-Y40 HydrophobicContact CB-CD2 4.4Å; D38-Y40 HydrophobicContact CB-CE2 3.85Å; Y40-L51 HydrophobicContact CD1-CD1 4Å; Y40-L51 HydrophobicContact CD1-CD2 4.46Å; Y40-L51 HydrophobicContact CD1-CG 4.29Å; Y40-R52 CarbonylContact C-O 3.48Å; Y40-R52 VanDerWaalsContact CA-O 3.32Å; Y40-R52 WeakPolarHBondContact CA-O 3.43Å; Y40-W53 HydrophobicContact CD1-CB 3.75Å; Y40-W53 HydrophobicContact CD2-CB 4Å; Y40-W53 HydrophobicContact CE1-CB 3.65Å; Y40-W53 HydrophobicContact CE1-CD2 4.32Å; Y40-W53 HydrophobicContact CE1-CE3 4.32Å; Y40-W53 HydrophobicContact CE1-CG 4.07Å; Y40-W53 HydrophobicContact CE2-CB 3.86Å; Y40-W53 HydrophobicContact CG-CB 3.93Å; Y40-R89 PolarHBondContact OH-NH2 2.97Å; Y40-V90 HydrophobicContact CD1-CG2 4.36Å; Y40-V90 HydrophobicContact CD2-CG1 3.95Å; Y40-V90 HydrophobicContact CD2-CG2 4.17Å; Y40-V90 HydrophobicContact CE1-CG2 4.37Å; Y40-V90 HydrophobicContact CE2-CG2 4.2Å; Y40-V90 HydrophobicContact CG-CB 4.48Å; Y40-V90 HydrophobicContact CG-CG1 3.87Å; Y40-V90 HydrophobicContact CG-CG2 4.27Å
41H97.9Very high94.2Very high22 Ų2248 Ų4810%0.10227%0.271CS..EExtended strand (participates in β ladder)trans-134.5121.5177.3179.6-118.6000109.2Q27 F28 F39 R52 W54Q27-H41 WeakPolarHBondContact CG-NE2 3.31Å; Q27-H41 PolarHBondContact NE2-CE1 3.19Å; Q27-H41 VanDerWaalsContact NE2-CE1 3.28Å; Q27-H41 PolarHBondContact NE2-NE2 2.82Å; F28-H41 CarbonylContact O-C 3.23Å; F28-H41 WeakPolarHBondContact O-CA 3.35Å; F28-H41 PolarHBondContact O-CD2 2.7Å; F39-H41 HydrophobicContact CE1-CB 4.29Å; H41-R52 HydrophobicContact CB-CB 4.36Å; H41-R52 PolarHBondContact N-O 3.28Å; H41-R52 PolarHBondContact O-N 3.47Å; H41-W54 HydrophobicContact CB-CH2 3.81Å; H41-W54 HydrophobicContact CB-CZ3 3.46Å; H41-W54 VanDerWaalsContact CB-CZ3 3.46Å
42L98.4Very high94.3Very high0 Ų045.8 Ų45.80%026%0.255CS..EExtended strand (participates in β ladder)trans-107.1122174178.864.7000108Q27 F28 I44 F49 K50 L51 I87 M91 T95 C99Q27-L42 CarbonylContact C-O 3.51Å; Q27-L42 VanDerWaalsContact CA-O 3.31Å; Q27-L42 WeakPolarHBondContact CA-O 3.27Å; F28-L42 HydrophobicContact CB-CB 4.3Å; F28-L42 HydrophobicContact CD2-CD2 4.07Å; F28-L42 HydrophobicContact CD2-CG 4.49Å; F28-L42 PolarHBondContact N-O 3.17Å; F28-L42 PolarHBondContact O-N 3.02Å; L42-I44 HydrophobicContact CG-CG1 4.29Å; L42-F49 HydrophobicContact CD1-CD1 4.3Å; L42-K50 WeakPolarHBondContact CA-O 3.49Å; L42-L51 HydrophobicContact CB-CD1 4.13Å; L42-L51 HydrophobicContact CD1-CB 4.27Å; L42-L51 HydrophobicContact CD1-CD1 4.25Å; L42-I87 HydrophobicContact CD1-CD1 4.15Å; L42-I87 HydrophobicContact CD2-CD1 3.79Å; L42-I87 HydrophobicContact CD2-CG1 4.16Å; L42-M91 HydrophobicContact CB-CE 3.59Å; L42-M91 HydrophobicContact CB-SD 3.82Å; L42-M91 HydrophobicContact CD2-SD 4.09Å; L42-T95 HydrophobicContact CD2-CG2 4.45Å; L42-C99 VanDerWaalsContact CD2-SG 3.58Å
43L97.7Very high94.3Very high20 Ų2049.2 Ų49.211%0.10527%0.267CS..EExtended strand (participates in β ladder)trans-116.5123.4173.6176.765.2000109.3N24 Q27 T45 K50N24-L43 HydrophobicContact CB-CD1 4.2Å; Q27-L43 HydrophobicContact CB-CD1 4.39Å; L43-T45 HydrophobicContact CD2-CG2 4.26Å; L43-T45 HydrophobicContact CG-CG2 4.12Å; L43-K50 HydrophobicContact CB-CB 4.4Å; L43-K50 HydrophobicContact CD2-CD 4.49Å; L43-K50 PolarHBondContact N-O 3Å; L43-K50 PolarHBondContact O-N 3.45Å
44I95.4Very high94.2Very high0 Ų050.4 Ų50.40%026%0.263CS..EExtended strand (participates in β ladder)trans-105.8118.5177.3-50.3-179.5000107.6I25 A26 F28 L42 F49 Y74 I102I25-I44 HydrophobicContact CB-CG2 4.47Å; I25-I44 PolarHBondContact N-O 3.31Å; A26-I44 HydrophobicContact CB-CB 4.37Å; A26-I44 HydrophobicContact CB-CD1 4.14Å; A26-I44 PolarHBondContact N-O 3Å; A26-I44 PolarHBondContact O-N 3.29Å; F28-I44 HydrophobicContact CE2-CD1 4.09Å; L42-I44 HydrophobicContact CG-CG1 4.29Å; I44-F49 HydrophobicContact CB-CD1 4.47Å; I44-F49 HydrophobicContact CB-CE1 4.41Å; I44-F49 HydrophobicContact CD1-CD1 4.03Å; I44-F49 HydrophobicContact CD1-CE1 3.53Å; I44-F49 HydrophobicContact CD1-CZ 4.46Å; I44-F49 HydrophobicContact CG1-CD1 3.71Å; I44-F49 HydrophobicContact CG1-CE1 3.7Å; I44-F49 HydrophobicContact CG2-CD1 4.25Å; I44-F49 HydrophobicContact CG2-CE1 3.91Å; I44-F49 HydrophobicContact CG2-CZ 4.1Å; I44-Y74 VanDerWaalsContact CG2-OH 3.28Å; I44-Y74 WeakPolarHBondContact CG2-OH 3.47Å; I44-I102 HydrophobicContact CD1-CD1 3.71Å; I44-I102 HydrophobicContact CG2-CD1 4.38Å; I44-I102 HydrophobicContact CG2-CG2 4.25Å
45T93.5Very high94.2Very high8 Ų852.7 Ų52.75%0.04925%0.252CS..  trans-107.4173.317870.10000109.8E23 L43 T47 K48 Y74E23-T45 WeakPolarHBondContact O-CG2 3.25Å; L43-T45 HydrophobicContact CD2-CG2 4.26Å; L43-T45 HydrophobicContact CG-CG2 4.12Å; T45-T47 PolarHBondContact O-N 3Å; T45-T47 PolarHBondContact OG1-N 3Å; T45-K48 HydrophobicContact CG2-CG 4.5Å; T45-K48 PolarHBondContact N-O 2.94Å; T45-K48 WeakPolarHBondContact OG1-CG 3.4Å; T45-K48 PolarHBondContact OG1-N 3.39Å; T45-K48 PolarHBondContact OG1-O 2.88Å; T45-Y74 WeakPolarHBondContact O-CE2 3.41Å; T45-Y74 PolarHBondContact O-OH 3.01Å
46S89.7Confident94Very high32 Ų3250.8 Ų50.822%0.22423%0.233CC..SBendtrans-57.9-17.7173.653.40000115.6P22P22-S46 WeakPolarHBondContact O-CB 3.41Å; P22-S46 PolarHBondContact O-N 3.34Å; P22-S46 PolarHBondContact O-OG 3.47Å
47T90.6Very high93.8Very high84 Ų8451.1 Ų51.152%0.51523%0.234SC..SBendtrans-124.2-22.7-175.2530000114.8T45 Y74T45-T47 PolarHBondContact O-N 3Å; T45-T47 PolarHBondContact OG1-N 3Å; T47-Y74 WeakPolarHBondContact O-CD2 3.33Å
48K94.2Very high92.9Very high69 Ų6950 Ų5030%0.325%0.245SC..EExtended strand (participates in β ladder)trans-155155.6-170.155.1-179.4157.2-172.70113.9T45 K50 I71 A72T45-K48 HydrophobicContact CG2-CG 4.5Å; T45-K48 PolarHBondContact N-O 2.94Å; T45-K48 WeakPolarHBondContact OG1-CG 3.4Å; T45-K48 PolarHBondContact OG1-N 3.39Å; T45-K48 PolarHBondContact OG1-O 2.88Å; K48-K50 HydrophobicContact CD-CG 4.3Å; K48-K50 HydrophobicContact CG-CG 4.41Å; K48-I71 HydrophobicContact CB-CG2 4.18Å; K48-I71 HydrophobicContact CD-CG2 3.6Å; K48-I71 HydrophobicContact CG-CG2 4.38Å; K48-A72 CarbonylContact C-O 3.52Å; K48-A72 VanDerWaalsContact CA-O 3.22Å; K48-A72 WeakPolarHBondContact CA-O 3.38Å; K48-A72 VanDerWaalsContact CB-O 3.25Å; K48-A72 WeakPolarHBondContact CB-O 3.19Å
49F96.9Very high92Very high0 Ų057.9 Ų57.90%027%0.273CS..EExtended strand (participates in β ladder)trans-90.1137.7161.9-66.8-100.7000109.4L42 I44 I71 A72 Y74 F77 M83 C99 I102 C103L42-F49 HydrophobicContact CD1-CD1 4.3Å; I44-F49 HydrophobicContact CB-CD1 4.47Å; I44-F49 HydrophobicContact CB-CE1 4.41Å; I44-F49 HydrophobicContact CD1-CD1 4.03Å; I44-F49 HydrophobicContact CD1-CE1 3.53Å; I44-F49 HydrophobicContact CD1-CZ 4.46Å; I44-F49 HydrophobicContact CG1-CD1 3.71Å; I44-F49 HydrophobicContact CG1-CE1 3.7Å; I44-F49 HydrophobicContact CG2-CD1 4.25Å; I44-F49 HydrophobicContact CG2-CE1 3.91Å; I44-F49 HydrophobicContact CG2-CZ 4.1Å; F49-I71 WeakPolarHBondContact O-CA 3.41Å; F49-A72 PolarHBondContact N-O 2.97Å; F49-A72 PolarHBondContact O-N 3.14Å; F49-Y74 HydrophobicContact CD2-CD1 4.37Å; F49-Y74 HydrophobicContact CD2-CE1 4.24Å; F49-Y74 AromaticContact CE2-CD1 3.44Å; F49-Y74 HydrophobicContact CE2-CD1 3.44Å; F49-Y74 VanDerWaalsContact CE2-CD1 3.44Å; F49-Y74 AromaticContact CE2-CE1 3.26Å; F49-Y74 HydrophobicContact CE2-CE1 3.26Å; F49-Y74 HydrophobicContact CE2-CG 4.21Å; F49-Y74 AromaticContact CE2-CZ 3.95Å; F49-Y74 HydrophobicContact CZ-CD1 4.17Å; F49-Y74 AromaticContact CZ-CE1 3.67Å; F49-Y74 HydrophobicContact CZ-CE1 3.67Å; F49-F77 HydrophobicContact CB-CD2 4.14Å; F49-F77 HydrophobicContact CD1-CD2 4.1Å; F49-F77 HydrophobicContact CD1-CE2 4.01Å; F49-F77 HydrophobicContact CD1-CG 4.44Å; F49-F77 HydrophobicContact CD1-CZ 4.25Å; F49-F77 HydrophobicContact CD2-CB 3.76Å; F49-F77 HydrophobicContact CD2-CD1 4.18Å; F49-F77 AromaticContact CD2-CD2 3.97Å; F49-F77 HydrophobicContact CD2-CD2 3.97Å; F49-F77 AromaticContact CD2-CG 3.69Å; F49-F77 HydrophobicContact CD2-CG 3.69Å; F49-F77 HydrophobicContact CE1-CD1 4.39Å; F49-F77 HydrophobicContact CE1-CE1 4.14Å; F49-F77 HydrophobicContact CE1-CE2 4.32Å; F49-F77 HydrophobicContact CE1-CZ 4.1Å; F49-F77 HydrophobicContact CE2-CB 4.06Å; F49-F77 AromaticContact CE2-CD1 3.83Å; F49-F77 HydrophobicContact CE2-CD1 3.83Å; F49-F77 HydrophobicContact CE2-CD2 4.41Å; F49-F77 HydrophobicContact CE2-CE1 4.35Å; F49-F77 AromaticContact CE2-CG 3.83Å; F49-F77 HydrophobicContact CE2-CG 3.83Å; F49-F77 HydrophobicContact CG-CB 4.42Å; F49-F77 AromaticContact CG-CD2 3.81Å; F49-F77 HydrophobicContact CG-CD2 3.81Å; F49-F77 HydrophobicContact CG-CE2 4.18Å; F49-F77 HydrophobicContact CG-CG 4.02Å; F49-F77 AromaticContact CZ-CD1 3.96Å; F49-F77 HydrophobicContact CZ-CD1 3.96Å; F49-F77 HydrophobicContact CZ-CE1 4.02Å; F49-F77 HydrophobicContact CZ-CG 4.29Å; F49-F77 HydrophobicContact CZ-CZ 4.44Å; F49-M83 HydrophobicContact CB-SD 4.19Å; F49-C99 HydrophobicContact CE1-CB 3.77Å; F49-C99 HydrophobicContact CZ-CB 4.35Å; F49-I102 HydrophobicContact CZ-CG2 4.49Å; F49-C103 VanDerWaalsContact CE2-SG 3.51Å; F49-C103 VanDerWaalsContact CZ-SG 3.58Å
50K97.7Very high90.6Very high39 Ų3962.6 Ų62.617%0.1730%0.302CS..EExtended strand (participates in β ladder)trans-126.6111.7171-58.4-177.7-173170.70108.5L42 L43 K48 S70 I71L42-K50 WeakPolarHBondContact CA-O 3.49Å; L43-K50 HydrophobicContact CB-CB 4.4Å; L43-K50 HydrophobicContact CD2-CD 4.49Å; L43-K50 PolarHBondContact N-O 3Å; L43-K50 PolarHBondContact O-N 3.45Å; K48-K50 HydrophobicContact CD-CG 4.3Å; K48-K50 HydrophobicContact CG-CG 4.41Å; K50-S70 WeakPolarHBondContact CA-O 3.39Å; K50-I71 HydrophobicContact CG-CG1 4.23Å; K50-I71 HydrophobicContact CG-CG2 4.39Å
51L98.2Very high89.3Confident5 Ų564.3 Ų64.33%0.02631%0.312CS..EExtended strand (participates in β ladder)trans-100.9116.2172.1-175.960.7000108.8Y40 L42 W53 E69 S70 M83 E86 I87 M91Y40-L51 HydrophobicContact CD1-CD1 4Å; Y40-L51 HydrophobicContact CD1-CD2 4.46Å; Y40-L51 HydrophobicContact CD1-CG 4.29Å; L42-L51 HydrophobicContact CB-CD1 4.13Å; L42-L51 HydrophobicContact CD1-CB 4.27Å; L42-L51 HydrophobicContact CD1-CD1 4.25Å; L51-W53 HydrophobicContact CG-CE3 4.47Å; L51-W53 WeakPolarHBondContact O-CZ3 3.42Å; L51-E69 CarbonylContact O-C 3.56Å; L51-E69 WeakPolarHBondContact O-CA 3.41Å; L51-S70 PolarHBondContact N-O 3.12Å; L51-S70 PolarHBondContact O-N 3.42Å; L51-M83 HydrophobicContact CB-CE 4.44Å; L51-M83 HydrophobicContact CB-SD 4.29Å; L51-M83 HydrophobicContact CD2-CG 4.07Å; L51-E86 HydrophobicContact CD2-CB 3.98Å; L51-I87 HydrophobicContact CD2-CG1 4.47Å; L51-M91 HydrophobicContact CD1-CE 4.23Å
52R97.3Very high87.7Confident67 Ų6765 Ų6525%0.25333%0.325SS..EExtended strand (participates in β ladder)trans-112.3146.9177.2-66170.3-177.7156.8-3.6110.1Y40 H41 W54 G68 E69Y40-R52 CarbonylContact C-O 3.48Å; Y40-R52 VanDerWaalsContact CA-O 3.32Å; Y40-R52 WeakPolarHBondContact CA-O 3.43Å; H41-R52 HydrophobicContact CB-CB 4.36Å; H41-R52 PolarHBondContact N-O 3.28Å; H41-R52 PolarHBondContact O-N 3.47Å; R52-W54 HydrophobicContact CB-CE3 4.47Å; R52-W54 HydrophobicContact CB-CH2 3.62Å; R52-W54 HydrophobicContact CB-CZ2 4.44Å; R52-W54 HydrophobicContact CB-CZ3 3.64Å; R52-W54 HydrophobicContact CG-CH2 4.48Å; R52-G68 CarbonylContact C-O 3.54Å; R52-G68 VanDerWaalsContact CA-O 3.25Å; R52-G68 WeakPolarHBondContact CA-O 3.39Å; R52-E69 HydrophobicContact CG-CB 4.18Å; R52-E69 HydrophobicContact CG-CG 3.85Å; R52-E69 IonicContact CZ-OE2 2.67Å; R52-E69 VanDerWaalsContact CZ-OE2 3.24Å; R52-E69 IonicContact NE-OE2 2.71Å; R52-E69 PolarHBondContact NE-OE2 3.28Å; R52-E69 IonicContact NH2-OE2 3.28Å; R52-E69 PolarHBondContact NH2-OE2 3.5Å
53W95.3Very high86.3Confident77 Ų7769.6 Ų69.629%0.29236%0.363SS..EExtended strand (participates in β ladder)trans-140.3142.8172.761.492.6000112.4F39 Y40 L51 P67 G68F39-W53 CarbonylContact O-C 3.6Å; F39-W53 WeakPolarHBondContact O-CA 3.39Å; Y40-W53 HydrophobicContact CD1-CB 3.75Å; Y40-W53 HydrophobicContact CD2-CB 4Å; Y40-W53 HydrophobicContact CE1-CB 3.65Å; Y40-W53 HydrophobicContact CE1-CD2 4.32Å; Y40-W53 HydrophobicContact CE1-CE3 4.32Å; Y40-W53 HydrophobicContact CE1-CG 4.07Å; Y40-W53 HydrophobicContact CE2-CB 3.86Å; Y40-W53 HydrophobicContact CG-CB 3.93Å; L51-W53 HydrophobicContact CG-CE3 4.47Å; L51-W53 WeakPolarHBondContact O-CZ3 3.42Å; W53-P67 CarbonylContact O-C 3.53Å; W53-P67 VanDerWaalsContact O-CA 3.27Å; W53-P67 WeakPolarHBondContact O-CA 3.5Å; W53-G68 PolarHBondContact N-O 3.16Å; W53-G68 PolarHBondContact O-N 2.95Å
54W93.3Very high85.2Confident89 Ų8975.9 Ų75.934%0.33739%0.389SS..EExtended strand (participates in β ladder)trans-114.6120.8176.8-66-106.9000108D38 F39 H41 R52 I56 P67D38-W54 WeakPolarHBondContact CA-O 3.05Å; D38-W54 WeakPolarHBondContact CB-O 3.44Å; F39-W54 HydrophobicContact CB-CB 4.48Å; F39-W54 HydrophobicContact CD1-CD2 4.14Å; F39-W54 AromaticContact CD1-CE3 3.42Å; F39-W54 HydrophobicContact CD1-CE3 3.42Å; F39-W54 VanDerWaalsContact CD1-CE3 3.42Å; F39-W54 AromaticContact CD1-CZ3 3.76Å; F39-W54 HydrophobicContact CD1-CZ3 3.76Å; F39-W54 AromaticContact CE1-CE3 3.99Å; F39-W54 HydrophobicContact CE1-CE3 3.99Å; F39-W54 AromaticContact CE1-CZ3 3.84Å; F39-W54 HydrophobicContact CE1-CZ3 3.84Å; F39-W54 HydrophobicContact CG-CE3 4.48Å; F39-W54 PolarHBondContact N-O 2.99Å; F39-W54 PolarHBondContact O-N 2.91Å; H41-W54 HydrophobicContact CB-CH2 3.81Å; H41-W54 HydrophobicContact CB-CZ3 3.46Å; H41-W54 VanDerWaalsContact CB-CZ3 3.46Å; R52-W54 HydrophobicContact CB-CE3 4.47Å; R52-W54 HydrophobicContact CB-CH2 3.62Å; R52-W54 HydrophobicContact CB-CZ2 4.44Å; R52-W54 HydrophobicContact CB-CZ3 3.64Å; R52-W54 HydrophobicContact CG-CH2 4.48Å; W54-I56 PolarHBondContact O-N 3.45Å; W54-P67 VanDerWaalsContact CD1-CG 3.49Å; W54-P67 HydrophobicContact CD2-CB 4.17Å; W54-P67 HydrophobicContact CG-CB 4.17Å; W54-P67 HydrophobicContact CG-CG 4.3Å; W54-P67 HydrophobicContact CZ2-CB 4.45Å
55R89.9Confident84.4Confident142 Ų14279.8 Ų79.854%0.53641%0.407SS..  trans-70.9124178-169.5178.9174173.2-1.6109.8D38 T57D38-R55 VanDerWaalsContact OD1-CA 3.25Å; D38-R55 WeakPolarHBondContact OD1-CA 3.37Å; R55-T57 HydrophobicContact CG-CG2 4.12Å
56I85.6Confident83.9Confident101 Ų10187.3 Ų87.352%0.51844%0.441SS..  trans-97112.5178.2-58.7-57.2000108.9K37 D38 W54K37-I56 WeakPolarHBondContact O-CB 3.46Å; K37-I56 WeakPolarHBondContact O-CG1 3.48Å; D38-I56 PolarHBondContact OD1-N 2.93Å; W54-I56 PolarHBondContact O-N 3.45Å
57T81.9Confident83.8Confident41 Ų4188.9 Ų88.925%0.25245%0.45SS..  trans-114.3139.4179.459.10000111.1R55 R59 F65R55-T57 HydrophobicContact CG-CG2 4.12Å; T57-R59 VanDerWaalsContact C-N 3.32Å; T57-R59 PolarHBondContact O-N 3.39Å; T57-R59 PolarHBondContact OG1-O 3.08Å; T57-F65 HydrophobicContact CG2-CD2 4.13Å; T57-F65 HydrophobicContact CG2-CE2 3.88Å
58S72.6Confident83.9Confident133 Ų13385.8 Ų85.893%0.9344%0.435SS*.SBendtrans-69-29.1177.3175.70000113.4
59R72.8Confident84Confident197 Ų19786.9 Ų86.974%0.74344%0.441SS*.SBendtrans-83.7153.3177.6-64.1-172.3-172.3-102.8-0109.1T57 D61T57-R59 VanDerWaalsContact C-N 3.32Å; T57-R59 PolarHBondContact O-N 3.39Å; T57-R59 PolarHBondContact OG1-O 3.08Å; R59-D61 HydrophobicContact CB-CB 4.44Å; R59-D61 VanDerWaalsContact CB-OD2 3.25Å; R59-D61 WeakPolarHBondContact CB-OD2 3.41Å; R59-D61 PolarHBondContact O-N 3.15Å
60N67Low84Confident173 Ų17388.8 Ų88.893%0.92545%0.454SS*.G310 helixtrans-66.823.1176.2-135.915.3000113.5G62N60-G62 PolarHBondContact O-N 3.48Å
61D69.9Low84Confident52 Ų5290.7 Ų90.728%0.27847%0.466SS..G310 helixtrans-78.1-0.3173.6-67.5-48.5000112.2R59 A63 K64 F65R59-D61 HydrophobicContact CB-CB 4.44Å; R59-D61 VanDerWaalsContact CB-OD2 3.25Å; R59-D61 WeakPolarHBondContact CB-OD2 3.41Å; R59-D61 PolarHBondContact O-N 3.15Å; D61-A63 PolarHBondContact O-N 3.08Å; D61-A63 VanDerWaalsContact O-N 3.17Å; D61-K64 HydrophobicContact CB-CD 4.15Å; D61-K64 VanDerWaalsContact O-CB 3.23Å; D61-K64 WeakPolarHBondContact O-CB 3.3Å; D61-K64 PolarHBondContact O-N 2.97Å; D61-K64 WeakPolarHBondContact OD1-CE 3.35Å; D61-K64 IonicContact OD1-NZ 3.28Å; D61-K64 PolarHBondContact OD1-NZ 3.29Å; D61-F65 HydrophobicContact CB-CE2 4.28Å; D61-F65 WeakPolarHBondContact O-CD2 3.41Å
62G64Low83.9Confident36 Ų3690.5 Ų90.537%0.37147%0.465SS..G310 helixtrans-54.6-35.1-178.700000113.3N60 K64 F65N60-G62 PolarHBondContact O-N 3.48Å; G62-K64 PolarHBondContact O-N 3.24Å; G62-K64 VanDerWaalsContact O-N 3.1Å; G62-F65 PolarHBondContact O-N 2.98Å
63A69.5Low83.7Confident97 Ų9790 Ų9080%0.80247%0.469SS*.G310 helixtrans-62-17.2175.600000114D61D61-A63 PolarHBondContact O-N 3.08Å; D61-A63 VanDerWaalsContact O-N 3.17Å
64K74.1Confident83.6Confident151 Ų15186.8 Ų86.866%0.65746%0.457SS*.G310 helixtrans-84.2-17.3177.3-58.5174.8178.4165.20112.8D61 G62D61-K64 HydrophobicContact CB-CD 4.15Å; D61-K64 VanDerWaalsContact O-CB 3.23Å; D61-K64 WeakPolarHBondContact O-CB 3.3Å; D61-K64 PolarHBondContact O-N 2.97Å; D61-K64 WeakPolarHBondContact OD1-CE 3.35Å; D61-K64 IonicContact OD1-NZ 3.28Å; D61-K64 PolarHBondContact OD1-NZ 3.29Å; G62-K64 PolarHBondContact O-N 3.24Å; G62-K64 VanDerWaalsContact O-N 3.1Å
65F77.5Confident83.5Confident82 Ų8289.7 Ų89.736%0.3648%0.475SS..  trans-106.2116.3-175.1-63.4-73000110.2T57 D61 G62T57-F65 HydrophobicContact CG2-CD2 4.13Å; T57-F65 HydrophobicContact CG2-CE2 3.88Å; D61-F65 HydrophobicContact CB-CE2 4.28Å; D61-F65 WeakPolarHBondContact O-CD2 3.41Å; G62-F65 PolarHBondContact O-N 2.98Å
66H83.4Confident83.7Confident166 Ų16688.2 Ų88.277%0.76947%0.474SS*.PPolyproline II helixtrans-79.9151.5165.9-63.9-65.7000110.1G68H66-G68 PolarHBondContact O-N 3.22Å
67P88.5Confident84.1Confident65 Ų6583.4 Ų83.442%0.42245%0.449SS..PPolyproline II helixtrans-61136.1174.6-16.831000109.7W53 W54W53-P67 CarbonylContact O-C 3.53Å; W53-P67 VanDerWaalsContact O-CA 3.27Å; W53-P67 WeakPolarHBondContact O-CA 3.5Å; W54-P67 VanDerWaalsContact CD1-CG 3.49Å; W54-P67 HydrophobicContact CD2-CB 4.17Å; W54-P67 HydrophobicContact CG-CB 4.17Å; W54-P67 HydrophobicContact CG-CG 4.3Å; W54-P67 HydrophobicContact CZ2-CB 4.45Å
68G92.8Very high84.6Confident19 Ų1985.3 Ų85.320%0.19646%0.455CS..EExtended strand (participates in β ladder)trans-77.8147.1167.800000109.9R52 W53 H66R52-G68 CarbonylContact C-O 3.54Å; R52-G68 VanDerWaalsContact CA-O 3.25Å; R52-G68 WeakPolarHBondContact CA-O 3.39Å; W53-G68 PolarHBondContact N-O 3.16Å; W53-G68 PolarHBondContact O-N 2.95Å; H66-G68 PolarHBondContact O-N 3.22Å
69E95.5Very high85.6Confident92 Ų9286 Ų8643%0.4344%0.444SS..EExtended strand (participates in β ladder)trans-135.9137.5174.8-173.6175.758.900109.1L51 R52 I71L51-E69 CarbonylContact O-C 3.56Å; L51-E69 WeakPolarHBondContact O-CA 3.41Å; R52-E69 HydrophobicContact CG-CB 4.18Å; R52-E69 HydrophobicContact CG-CG 3.85Å; R52-E69 IonicContact CZ-OE2 2.67Å; R52-E69 VanDerWaalsContact CZ-OE2 3.24Å; R52-E69 IonicContact NE-OE2 2.71Å; R52-E69 PolarHBondContact NE-OE2 3.28Å; R52-E69 IonicContact NH2-OE2 3.28Å; R52-E69 PolarHBondContact NH2-OE2 3.5Å; E69-I71 HydrophobicContact CG-CD1 4.31Å; E69-I71 HydrophobicContact CG-CG1 3.84Å; E69-I71 WeakPolarHBondContact OE1-CD1 3.28Å
70S96.5Very high86.7Confident40 Ų4078.6 Ų78.628%0.2842%0.419SS..EExtended strand (participates in β ladder)trans-124.7130.2168-1790000107.9K50 L51 M83K50-S70 WeakPolarHBondContact CA-O 3.39Å; L51-S70 PolarHBondContact N-O 3.12Å; L51-S70 PolarHBondContact O-N 3.42Å; S70-M83 WeakPolarHBondContact OG-CE 3.48Å
71I97.6Very high88.1Confident79 Ų7975.8 Ų75.841%0.40540%0.404SS..EExtended strand (participates in β ladder)trans-122.5135-177.3-54.7-177.7000107.6K48 F49 K50 E69K48-I71 HydrophobicContact CB-CG2 4.18Å; K48-I71 HydrophobicContact CD-CG2 3.6Å; K48-I71 HydrophobicContact CG-CG2 4.38Å; F49-I71 WeakPolarHBondContact O-CA 3.41Å; K50-I71 HydrophobicContact CG-CG1 4.23Å; K50-I71 HydrophobicContact CG-CG2 4.39Å; E69-I71 HydrophobicContact CG-CD1 4.31Å; E69-I71 HydrophobicContact CG-CG1 3.84Å; E69-I71 WeakPolarHBondContact OE1-CD1 3.28Å
72A96.7Very high89.4Confident1 Ų182.6 Ų82.61%0.00843%0.426CS..EExtended strand (participates in β ladder)trans-137.8137.117300000109.6K48 F49 E76 F77 M83K48-A72 CarbonylContact C-O 3.52Å; K48-A72 VanDerWaalsContact CA-O 3.22Å; K48-A72 WeakPolarHBondContact CA-O 3.38Å; K48-A72 VanDerWaalsContact CB-O 3.25Å; K48-A72 WeakPolarHBondContact CB-O 3.19Å; F49-A72 PolarHBondContact N-O 2.97Å; F49-A72 PolarHBondContact O-N 3.14Å; A72-E76 HydrophobicContact CB-CB 4.01Å; A72-F77 HydrophobicContact CB-CB 4.03Å; A72-M83 HydrophobicContact CB-CE 3.96Å; A72-M83 HydrophobicContact CB-SD 4.46Å
73T94.3Very high91Very high57 Ų5781.1 Ų81.135%0.3541%0.409SS..EExtended strand (participates in β ladder)trans-63.8169.8161.7600000110.4E75 E76 F77T73-E75 VanDerWaalsContact C-N 3.3Å; T73-E75 PolarHBondContact O-N 3.41Å; T73-E76 WeakPolarHBondContact CB-OE2 3.4Å; T73-E76 WeakPolarHBondContact CG2-OE2 3.37Å; T73-E76 PolarHBondContact N-OE2 3.41Å; T73-E76 PolarHBondContact O-N 2.62Å; T73-E76 WeakPolarHBondContact OG1-CB 3.09Å; T73-E76 WeakPolarHBondContact OG1-CG 3.31Å; T73-E76 PolarHBondContact OG1-N 2.73Å; T73-E76 PolarHBondContact OG1-OE2 3.46Å; T73-F77 VanDerWaalsContact O-CB 3.25Å; T73-F77 WeakPolarHBondContact O-CB 3.45Å; T73-F77 PolarHBondContact O-N 2.88Å
74Y91.9Very high92.3Very high10 Ų1077.4 Ų77.44%0.03938%0.375CS..Hα-helixtrans-59.9-39.3176.9-78.8-83.6000113.2I5 I44 T45 T47 F49 E78 I102 C103I5-Y74 HydrophobicContact CB-CE1 4.43Å; I5-Y74 HydrophobicContact CD1-CE1 3.88Å; I5-Y74 HydrophobicContact CG2-CD1 3.47Å; I5-Y74 VanDerWaalsContact CG2-CD1 3.47Å; I5-Y74 HydrophobicContact CG2-CD2 3.65Å; I5-Y74 HydrophobicContact CG2-CE1 3.61Å; I5-Y74 HydrophobicContact CG2-CE2 3.75Å; I5-Y74 HydrophobicContact CG2-CG 3.51Å; I44-Y74 VanDerWaalsContact CG2-OH 3.28Å; I44-Y74 WeakPolarHBondContact CG2-OH 3.47Å; T45-Y74 WeakPolarHBondContact O-CE2 3.41Å; T45-Y74 PolarHBondContact O-OH 3.01Å; T47-Y74 WeakPolarHBondContact O-CD2 3.33Å; F49-Y74 HydrophobicContact CD2-CD1 4.37Å; F49-Y74 HydrophobicContact CD2-CE1 4.24Å; F49-Y74 AromaticContact CE2-CD1 3.44Å; F49-Y74 HydrophobicContact CE2-CD1 3.44Å; F49-Y74 VanDerWaalsContact CE2-CD1 3.44Å; F49-Y74 AromaticContact CE2-CE1 3.26Å; F49-Y74 HydrophobicContact CE2-CE1 3.26Å; F49-Y74 HydrophobicContact CE2-CG 4.21Å; F49-Y74 AromaticContact CE2-CZ 3.95Å; F49-Y74 HydrophobicContact CZ-CD1 4.17Å; F49-Y74 AromaticContact CZ-CE1 3.67Å; F49-Y74 HydrophobicContact CZ-CE1 3.67Å; Y74-E78 PolarHBondContact O-N 3.5Å; Y74-E78 VanDerWaalsContact O-N 3.14Å; Y74-I102 HydrophobicContact CE1-CG2 3.66Å; Y74-C103 HydrophobicContact CD1-CB 4.35Å; Y74-C103 VanDerWaalsContact CD1-SG 3.6Å
75E90.7Very high93.5Very high150 Ų15074.9 Ų74.970%0.70137%0.369SS*.Hα-helixtrans-69.6-42178-63.2-179.4175.100111.8T73T73-E75 VanDerWaalsContact C-N 3.3Å; T73-E75 PolarHBondContact O-N 3.41Å
76E95Very high94.3Very high111 Ų11173.1 Ų73.152%0.51936%0.362SS..Hα-helixtrans-66-44175.8-71.8164.3157.600111.2A72 T73 E78 Q79 D80A72-E76 HydrophobicContact CB-CB 4.01Å; T73-E76 WeakPolarHBondContact CB-OE2 3.4Å; T73-E76 WeakPolarHBondContact CG2-OE2 3.37Å; T73-E76 PolarHBondContact N-OE2 3.41Å; T73-E76 PolarHBondContact O-N 2.62Å; T73-E76 WeakPolarHBondContact OG1-CB 3.09Å; T73-E76 WeakPolarHBondContact OG1-CG 3.31Å; T73-E76 PolarHBondContact OG1-N 2.73Å; T73-E76 PolarHBondContact OG1-OE2 3.46Å; E76-E78 VanDerWaalsContact C-N 3.32Å; E76-E78 PolarHBondContact O-N 3.38Å; E76-Q79 CarbonylContact O-C 3.27Å; E76-Q79 PolarHBondContact O-N 3.43Å; E76-Q79 VanDerWaalsContact O-N 3.11Å; E76-D80 WeakPolarHBondContact O-CB 3.4Å; E76-D80 PolarHBondContact O-N 3.24Å
77F95.1Very high95Very high0 Ų065.2 Ų65.20%033%0.325CS..Hα-helixtrans-60.3-42.1179.8-179.8-94.8000111.5F49 A72 T73 Q79 D80 M83 H84 I87 C99 L100 C103F49-F77 HydrophobicContact CB-CD2 4.14Å; F49-F77 HydrophobicContact CD1-CD2 4.1Å; F49-F77 HydrophobicContact CD1-CE2 4.01Å; F49-F77 HydrophobicContact CD1-CG 4.44Å; F49-F77 HydrophobicContact CD1-CZ 4.25Å; F49-F77 HydrophobicContact CD2-CB 3.76Å; F49-F77 HydrophobicContact CD2-CD1 4.18Å; F49-F77 AromaticContact CD2-CD2 3.97Å; F49-F77 HydrophobicContact CD2-CD2 3.97Å; F49-F77 AromaticContact CD2-CG 3.69Å; F49-F77 HydrophobicContact CD2-CG 3.69Å; F49-F77 HydrophobicContact CE1-CD1 4.39Å; F49-F77 HydrophobicContact CE1-CE1 4.14Å; F49-F77 HydrophobicContact CE1-CE2 4.32Å; F49-F77 HydrophobicContact CE1-CZ 4.1Å; F49-F77 HydrophobicContact CE2-CB 4.06Å; F49-F77 AromaticContact CE2-CD1 3.83Å; F49-F77 HydrophobicContact CE2-CD1 3.83Å; F49-F77 HydrophobicContact CE2-CD2 4.41Å; F49-F77 HydrophobicContact CE2-CE1 4.35Å; F49-F77 AromaticContact CE2-CG 3.83Å; F49-F77 HydrophobicContact CE2-CG 3.83Å; F49-F77 HydrophobicContact CG-CB 4.42Å; F49-F77 AromaticContact CG-CD2 3.81Å; F49-F77 HydrophobicContact CG-CD2 3.81Å; F49-F77 HydrophobicContact CG-CE2 4.18Å; F49-F77 HydrophobicContact CG-CG 4.02Å; F49-F77 AromaticContact CZ-CD1 3.96Å; F49-F77 HydrophobicContact CZ-CD1 3.96Å; F49-F77 HydrophobicContact CZ-CE1 4.02Å; F49-F77 HydrophobicContact CZ-CG 4.29Å; F49-F77 HydrophobicContact CZ-CZ 4.44Å; A72-F77 HydrophobicContact CB-CB 4.03Å; T73-F77 VanDerWaalsContact O-CB 3.25Å; T73-F77 WeakPolarHBondContact O-CB 3.45Å; T73-F77 PolarHBondContact O-N 2.88Å; F77-Q79 PolarHBondContact O-N 2.9Å; F77-D80 PolarHBondContact O-N 3.37Å; F77-M83 HydrophobicContact CD2-CG 4.22Å; F77-M83 HydrophobicContact CD2-SD 3.59Å; F77-M83 VanDerWaalsContact CD2-SD 3.59Å; F77-M83 HydrophobicContact CE2-CB 4.43Å; F77-M83 HydrophobicContact CE2-CG 3.97Å; F77-M83 HydrophobicContact CE2-SD 3.76Å; F77-H84 AromaticContact CD1-NE2 3.64Å; F77-H84 AromaticContact CE1-CD2 3.73Å; F77-H84 AromaticContact CE1-NE2 3.34Å; F77-H84 VanDerWaalsContact CE1-NE2 3.34Å; F77-H84 WeakPolarHBondContact CE1-NE2 3.14Å; F77-H84 AromaticContact CE2-CD2 3.83Å; F77-H84 AromaticContact CZ-CD2 3.45Å; F77-H84 VanDerWaalsContact CZ-CD2 3.45Å; F77-H84 WeakPolarHBondContact CZ-CD2 3.35Å; F77-H84 AromaticContact CZ-NE2 3.6Å; F77-H84 PolarHBondContact O-CE1 3.07Å; F77-H84 PolarHBondContact O-NE2 3.23Å; F77-I87 HydrophobicContact CE2-CD1 3.65Å; F77-I87 HydrophobicContact CZ-CD1 3.91Å; F77-C99 HydrophobicContact CE1-CB 3.86Å; F77-C99 HydrophobicContact CZ-CB 3.65Å; F77-L100 HydrophobicContact CE1-CD2 4.21Å; F77-C103 WeakPolarHBondContact CD1-SG 3.45Å
78E92Very high95.5Very high81 Ų8165.3 Ų65.338%0.37932%0.322SS..Hα-helixtrans-55.3-26.9178.5-169.1176.6-172.700112.7K2 Y74 E76K2-E78 IonicContact NZ-OE1 3.54Å; K2-E78 PolarHBondContact NZ-OE1 3.29Å; K2-E78 IonicContact NZ-OE2 3.47Å; K2-E78 PolarHBondContact NZ-OE2 3.36Å; Y74-E78 PolarHBondContact O-N 3.5Å; Y74-E78 VanDerWaalsContact O-N 3.14Å; E76-E78 VanDerWaalsContact C-N 3.32Å; E76-E78 PolarHBondContact O-N 3.38Å
79Q93.1Very high95.6Very high146 Ų14670.1 Ų70.168%0.68233%0.334SS*.THydrogen-bonded Turntrans-1081.5178.8-53.9-57.4-43.800113.7E76 F77 D81E76-Q79 CarbonylContact O-C 3.27Å; E76-Q79 PolarHBondContact O-N 3.43Å; E76-Q79 VanDerWaalsContact O-N 3.11Å; F77-Q79 PolarHBondContact O-N 2.9Å; Q79-D81 PolarHBondContact O-N 2.92Å
80D95.8Very high95.7Very high42 Ų4266.5 Ų66.523%0.22532%0.318CS..  trans-91.177.9-176-168.6-14.1000111.3E76 F77 R82 M83 H84E76-D80 WeakPolarHBondContact O-CB 3.4Å; E76-D80 PolarHBondContact O-N 3.24Å; F77-D80 PolarHBondContact O-N 3.37Å; D80-R82 PolarHBondContact O-N 3.49Å; D80-R82 VanDerWaalsContact O-N 3.11Å; D80-R82 WeakPolarHBondContact OD1-CA 3.17Å; D80-R82 WeakPolarHBondContact OD1-CB 3.45Å; D80-R82 PolarHBondContact OD1-N 3.49Å; D80-R82 VanDerWaalsContact OD1-N 3.09Å; D80-M83 HydrophobicContact CB-CB 4.15Å; D80-M83 PolarHBondContact O-N 3Å; D80-M83 VanDerWaalsContact O-N 3.14Å; D80-M83 PolarHBondContact OD1-N 3.15Å; D80-M83 WeakPolarHBondContact OD2-CB 3.42Å; D80-H84 VanDerWaalsContact O-CG 3.3Å; D80-H84 PolarHBondContact O-N 3.19Å; D80-H84 PolarHBondContact O-ND1 3.06Å
81D96.4Very high95.8Very high115 Ų11565.9 Ų65.962%0.61531%0.311SS*.Hα-helixtrans-55.4-28.8174.8-75.2-23.6000112.7Q79 H84 N85Q79-D81 PolarHBondContact O-N 2.92Å; D81-H84 IonicContact OD1-ND1 3.44Å; D81-N85 WeakPolarHBondContact O-CB 3.44Å; D81-N85 PolarHBondContact O-N 2.76Å; D81-N85 PolarHBondContact O-ND2 2.87Å
82R96.7Very high95.7Very high195 Ų19563.4 Ų63.474%0.73631%0.305SS*.Hα-helixtrans-69.5-48.8179-177.6-178.2175.6179-2.1110D80 H84 N85 E86D80-R82 PolarHBondContact O-N 3.49Å; D80-R82 VanDerWaalsContact O-N 3.11Å; D80-R82 WeakPolarHBondContact OD1-CA 3.17Å; D80-R82 WeakPolarHBondContact OD1-CB 3.45Å; D80-R82 PolarHBondContact OD1-N 3.49Å; D80-R82 VanDerWaalsContact OD1-N 3.09Å; R82-H84 VanDerWaalsContact C-N 3.33Å; R82-N85 PolarHBondContact O-N 3.23Å; R82-E86 WeakPolarHBondContact O-CG 3.26Å; R82-E86 PolarHBondContact O-N 2.99Å
83M97.4Very high95.8Very high4 Ų468.9 Ų68.92%0.0233%0.331CS..Hα-helixtrans-64.8-38.8177.2-167175.2-61.200111.6F49 L51 S70 A72 F77 D80 N85 E86 I87F49-M83 HydrophobicContact CB-SD 4.19Å; L51-M83 HydrophobicContact CB-CE 4.44Å; L51-M83 HydrophobicContact CB-SD 4.29Å; L51-M83 HydrophobicContact CD2-CG 4.07Å; S70-M83 WeakPolarHBondContact OG-CE 3.48Å; A72-M83 HydrophobicContact CB-CE 3.96Å; A72-M83 HydrophobicContact CB-SD 4.46Å; F77-M83 HydrophobicContact CD2-CG 4.22Å; F77-M83 HydrophobicContact CD2-SD 3.59Å; F77-M83 VanDerWaalsContact CD2-SD 3.59Å; F77-M83 HydrophobicContact CE2-CB 4.43Å; F77-M83 HydrophobicContact CE2-CG 3.97Å; F77-M83 HydrophobicContact CE2-SD 3.76Å; D80-M83 HydrophobicContact CB-CB 4.15Å; D80-M83 PolarHBondContact O-N 3Å; D80-M83 VanDerWaalsContact O-N 3.14Å; D80-M83 PolarHBondContact OD1-N 3.15Å; D80-M83 WeakPolarHBondContact OD2-CB 3.42Å; M83-N85 PolarHBondContact O-N 3.17Å; M83-E86 PolarHBondContact O-N 2.86Å; M83-I87 HydrophobicContact CG-CD1 4.01Å; M83-I87 HydrophobicContact CG-CG1 4.45Å; M83-I87 WeakPolarHBondContact O-CG1 3.28Å; M83-I87 PolarHBondContact O-N 3.37Å
84H98.1Very high95.9Very high20 Ų2075 Ų759%0.09335%0.352CS..Hα-helixtrans-56.6-49.6173.3-66.7159.8000112.3F77 D80 D81 R82 E86 I87 L88 L96F77-H84 AromaticContact CD1-NE2 3.64Å; F77-H84 AromaticContact CE1-CD2 3.73Å; F77-H84 AromaticContact CE1-NE2 3.34Å; F77-H84 VanDerWaalsContact CE1-NE2 3.34Å; F77-H84 WeakPolarHBondContact CE1-NE2 3.14Å; F77-H84 AromaticContact CE2-CD2 3.83Å; F77-H84 AromaticContact CZ-CD2 3.45Å; F77-H84 VanDerWaalsContact CZ-CD2 3.45Å; F77-H84 WeakPolarHBondContact CZ-CD2 3.35Å; F77-H84 AromaticContact CZ-NE2 3.6Å; F77-H84 PolarHBondContact O-CE1 3.07Å; F77-H84 PolarHBondContact O-NE2 3.23Å; D80-H84 VanDerWaalsContact O-CG 3.3Å; D80-H84 PolarHBondContact O-N 3.19Å; D80-H84 PolarHBondContact O-ND1 3.06Å; D81-H84 IonicContact OD1-ND1 3.44Å; R82-H84 VanDerWaalsContact C-N 3.33Å; H84-E86 VanDerWaalsContact C-N 3.33Å; H84-E86 PolarHBondContact O-N 3.03Å; H84-I87 PolarHBondContact O-N 3.22Å; H84-L88 VanDerWaalsContact O-CB 3.28Å; H84-L88 WeakPolarHBondContact O-CB 3.39Å; H84-L88 PolarHBondContact O-N 3.26Å; H84-L96 HydrophobicContact CB-CD1 3.91Å; H84-L96 HydrophobicContact CB-CD2 4.47Å
85N97.8Very high96.1Very high98 Ų9875.4 Ų75.452%0.52436%0.356SS..Hα-helixtrans-64.4-36.6179.7-76.9-47.9000112.4D81 R82 M83 R89D81-N85 WeakPolarHBondContact O-CB 3.44Å; D81-N85 PolarHBondContact O-N 2.76Å; D81-N85 PolarHBondContact O-ND2 2.87Å; R82-N85 PolarHBondContact O-N 3.23Å; M83-N85 PolarHBondContact O-N 3.17Å; N85-R89 VanDerWaalsContact O-CB 3.25Å; N85-R89 WeakPolarHBondContact O-CB 3.17Å; N85-R89 PolarHBondContact O-N 3.22Å
86E96Very high96.5Very high44 Ų4469.1 Ų69.121%0.20633%0.327CS..Hα-helixtrans-65.8-47.3174.9-71.4-67.1137.900112L51 R82 M83 H84 L88 R89 V90L51-E86 HydrophobicContact CD2-CB 3.98Å; R82-E86 WeakPolarHBondContact O-CG 3.26Å; R82-E86 PolarHBondContact O-N 2.99Å; M83-E86 PolarHBondContact O-N 2.86Å; H84-E86 VanDerWaalsContact C-N 3.33Å; H84-E86 PolarHBondContact O-N 3.03Å; E86-L88 PolarHBondContact O-N 3.46Å; E86-R89 VanDerWaalsContact CD-NH1 3.27Å; E86-R89 PolarHBondContact O-N 3.38Å; E86-R89 IonicContact OE1-CZ 2.77Å; E86-R89 IonicContact OE1-NH1 3.77Å; E86-R89 PolarHBondContact OE1-NH1 3.03Å; E86-R89 IonicContact OE1-NH2 2.71Å; E86-R89 IonicContact OE2-CZ 3.23Å; E86-R89 VanDerWaalsContact OE2-CZ 3.22Å; E86-R89 IonicContact OE2-NH1 3.6Å; E86-R89 PolarHBondContact OE2-NH1 3.26Å; E86-R89 IonicContact OE2-NH2 2.74Å; E86-R89 PolarHBondContact OE2-NH2 2.75Å; E86-V90 WeakPolarHBondContact O-CB 3.32Å; E86-V90 WeakPolarHBondContact O-CG2 3.37Å; E86-V90 PolarHBondContact O-N 3.19Å
87I97.9Very high96.6Very high1 Ų166.8 Ų66.81%0.00532%0.318CS..Hα-helixtrans-61.6-45.2175.9-67.5169000110.2L42 L51 F77 M83 H84 R89 V90 M91 G92 T95 L96L42-I87 HydrophobicContact CD1-CD1 4.15Å; L42-I87 HydrophobicContact CD2-CD1 3.79Å; L42-I87 HydrophobicContact CD2-CG1 4.16Å; L51-I87 HydrophobicContact CD2-CG1 4.47Å; F77-I87 HydrophobicContact CE2-CD1 3.65Å; F77-I87 HydrophobicContact CZ-CD1 3.91Å; M83-I87 HydrophobicContact CG-CD1 4.01Å; M83-I87 HydrophobicContact CG-CG1 4.45Å; M83-I87 WeakPolarHBondContact O-CG1 3.28Å; M83-I87 PolarHBondContact O-N 3.37Å; H84-I87 PolarHBondContact O-N 3.22Å; I87-R89 PolarHBondContact O-N 3.13Å; I87-V90 PolarHBondContact O-N 2.92Å; I87-M91 HydrophobicContact CG2-CB 4.32Å; I87-M91 CarbonylContact O-C 3.54Å; I87-M91 WeakPolarHBondContact O-CA 3.43Å; I87-M91 WeakPolarHBondContact O-CB 3.5Å; I87-M91 PolarHBondContact O-N 3.23Å; I87-G92 PolarHBondContact O-N 3.16Å; I87-T95 HydrophobicContact CG2-CG2 4.05Å; I87-L96 HydrophobicContact CG2-CB 4.16Å; I87-L96 HydrophobicContact CG2-CD1 4.47Å
88L97.8Very high96.6Very high67 Ų6769.4 Ų69.435%0.35133%0.328SS..Hα-helixtrans-59.3-46.7177.5-178.661.3000111.5H84 E86 G92 H93 L96H84-L88 VanDerWaalsContact O-CB 3.28Å; H84-L88 WeakPolarHBondContact O-CB 3.39Å; H84-L88 PolarHBondContact O-N 3.26Å; E86-L88 PolarHBondContact O-N 3.46Å; L88-G92 WeakPolarHBondContact O-CA 3.16Å; L88-G92 PolarHBondContact O-N 3.21Å; L88-G92 VanDerWaalsContact O-N 3.08Å; L88-H93 HydrophobicContact CD1-CB 4.08Å; L88-L96 HydrophobicContact CB-CD2 4.1Å; L88-L96 HydrophobicContact CD1-CD2 4.37Å
89R96.2Very high96.7Very high119 Ų11965.5 Ų65.545%0.44931%0.31SS..Hα-helixtrans-64.1-42.2-179.2-171.9-173.575.3-136.6-4.6112.1P33 Y40 N85 E86 I87P33-R89 HydrophobicContact CG-CG 4.15Å; Y40-R89 PolarHBondContact OH-NH2 2.97Å; N85-R89 VanDerWaalsContact O-CB 3.25Å; N85-R89 WeakPolarHBondContact O-CB 3.17Å; N85-R89 PolarHBondContact O-N 3.22Å; E86-R89 VanDerWaalsContact CD-NH1 3.27Å; E86-R89 PolarHBondContact O-N 3.38Å; E86-R89 IonicContact OE1-CZ 2.77Å; E86-R89 IonicContact OE1-NH1 3.77Å; E86-R89 PolarHBondContact OE1-NH1 3.03Å; E86-R89 IonicContact OE1-NH2 2.71Å; E86-R89 IonicContact OE2-CZ 3.23Å; E86-R89 VanDerWaalsContact OE2-CZ 3.22Å; E86-R89 IonicContact OE2-NH1 3.6Å; E86-R89 PolarHBondContact OE2-NH1 3.26Å; E86-R89 IonicContact OE2-NH2 2.74Å; E86-R89 PolarHBondContact OE2-NH2 2.75Å; I87-R89 PolarHBondContact O-N 3.13Å
90V97.2Very high96.8Very high16 Ų1661.7 Ų61.710%0.09729%0.294CS..Hα-helixtrans-95-37.3-1701800000112.9A30 A32 Y40 E86 I87A30-V90 HydrophobicContact CB-CG1 3.88Å; A32-V90 HydrophobicContact CB-CG2 4.17Å; Y40-V90 HydrophobicContact CD1-CG2 4.36Å; Y40-V90 HydrophobicContact CD2-CG1 3.95Å; Y40-V90 HydrophobicContact CD2-CG2 4.17Å; Y40-V90 HydrophobicContact CE1-CG2 4.37Å; Y40-V90 HydrophobicContact CE2-CG2 4.2Å; Y40-V90 HydrophobicContact CG-CB 4.48Å; Y40-V90 HydrophobicContact CG-CG1 3.87Å; Y40-V90 HydrophobicContact CG-CG2 4.27Å; E86-V90 WeakPolarHBondContact O-CB 3.32Å; E86-V90 WeakPolarHBondContact O-CG2 3.37Å; E86-V90 PolarHBondContact O-N 3.19Å; I87-V90 PolarHBondContact O-N 2.92Å
91M97.2Very high96.6Very high27 Ų2762.8 Ų62.813%0.13330%0.3CS..Hα-helixtrans-115.1-8.4-172.6-53.1-175.9177.400113.5F28 A30 L42 L51 I87 T95F28-M91 HydrophobicContact CB-CE 4.29Å; F28-M91 HydrophobicContact CB-SD 3.7Å; A30-M91 HydrophobicContact CB-CG 3.94Å; L42-M91 HydrophobicContact CB-CE 3.59Å; L42-M91 HydrophobicContact CB-SD 3.82Å; L42-M91 HydrophobicContact CD2-SD 4.09Å; L51-M91 HydrophobicContact CD1-CE 4.23Å; I87-M91 HydrophobicContact CG2-CB 4.32Å; I87-M91 CarbonylContact O-C 3.54Å; I87-M91 WeakPolarHBondContact O-CA 3.43Å; I87-M91 WeakPolarHBondContact O-CB 3.5Å; I87-M91 PolarHBondContact O-N 3.23Å; M91-T95 HydrophobicContact CB-CG2 3.74Å; M91-T95 HydrophobicContact CG-CG2 4.45Å; M91-T95 PolarHBondContact O-OG1 3.48Å; M91-T95 HydrophobicContact SD-CG2 3.91Å
92G96.9Very high96.4Very high27 Ų2757.3 Ų57.328%0.27827%0.27SS..  trans82.3173.8174.200000115.2I87 L88 K94 T95 L96I87-G92 PolarHBondContact O-N 3.16Å; L88-G92 WeakPolarHBondContact O-CA 3.16Å; L88-G92 PolarHBondContact O-N 3.21Å; L88-G92 VanDerWaalsContact O-N 3.08Å; G92-K94 PolarHBondContact O-N 3.2Å; G92-T95 PolarHBondContact O-N 3.41Å; G92-L96 PolarHBondContact O-N 3.5Å
93H97.4Very high96Very high117 Ų11748.8 Ų48.854%0.54224%0.241SC..Hα-helixtrans-61.1-40.8-171.8-156.1-73.6000113L88 T95 L96 D97L88-H93 HydrophobicContact CD1-CB 4.08Å; H93-T95 VanDerWaalsContact C-N 3.27Å; H93-T95 PolarHBondContact O-N 3.33Å; H93-L96 PolarHBondContact O-N 2.96Å; H93-D97 IonicContact CE1-OD1 2.62Å; H93-D97 PolarHBondContact CE1-OD1 3.37Å; H93-D97 IonicContact CE1-OD2 2.71Å; H93-D97 PolarHBondContact CE1-OD2 3.28Å; H93-D97 VanDerWaalsContact CE1-OD2 3.28Å; H93-D97 IonicContact CG-OD2 3.47Å; H93-D97 IonicContact ND1-OD1 3.54Å; H93-D97 PolarHBondContact ND1-OD1 3.25Å; H93-D97 IonicContact ND1-OD2 3.22Å; H93-D97 PolarHBondContact ND1-OD2 3.21Å; H93-D97 WeakPolarHBondContact O-CB 3.28Å; H93-D97 VanDerWaalsContact O-CG 3.26Å; H93-D97 PolarHBondContact O-N 3.24Å
94K97Very high95.5Very high184 Ų18451 Ų5180%0.826%0.26SS*.Hα-helixtrans-59.8-38.7-179.9-64.7-174.7179.2-177.30112.4G92 Y98G92-K94 PolarHBondContact O-N 3.2Å; K94-Y98 WeakPolarHBondContact O-CB 3.14Å; K94-Y98 PolarHBondContact O-N 2.85Å
95T97.3Very high94.9Very high19 Ų1950.5 Ų50.512%0.11726%0.26CS..Hα-helixtrans-72-43.7179.5-51.20000110.5F28 L42 I87 M91 G92 H93 Y98 C99F28-T95 HydrophobicContact CB-CG2 4.39Å; F28-T95 HydrophobicContact CD1-CG2 3.99Å; F28-T95 HydrophobicContact CD2-CG2 3.99Å; F28-T95 HydrophobicContact CE1-CG2 4.28Å; F28-T95 HydrophobicContact CE2-CG2 4.27Å; F28-T95 HydrophobicContact CG-CG2 3.84Å; F28-T95 HydrophobicContact CZ-CG2 4.41Å; L42-T95 HydrophobicContact CD2-CG2 4.45Å; I87-T95 HydrophobicContact CG2-CG2 4.05Å; M91-T95 HydrophobicContact CB-CG2 3.74Å; M91-T95 HydrophobicContact CG-CG2 4.45Å; M91-T95 PolarHBondContact O-OG1 3.48Å; M91-T95 HydrophobicContact SD-CG2 3.91Å; G92-T95 PolarHBondContact O-N 3.41Å; H93-T95 VanDerWaalsContact C-N 3.27Å; H93-T95 PolarHBondContact O-N 3.33Å; T95-Y98 WeakPolarHBondContact O-CB 3.22Å; T95-Y98 PolarHBondContact O-N 3.23Å; T95-C99 PolarHBondContact O-N 3.31Å; T95-C99 PolarHBondContact O-SG 2.92Å
96L97.8Very high94.4Very high19 Ų1952.5 Ų52.510%0.09926%0.264CS..Hα-helixtrans-60.8-47.9175.5179.363.4000111.5H84 I87 L88 G92 H93 Y98 C99 L100H84-L96 HydrophobicContact CB-CD1 3.91Å; H84-L96 HydrophobicContact CB-CD2 4.47Å; I87-L96 HydrophobicContact CG2-CB 4.16Å; I87-L96 HydrophobicContact CG2-CD1 4.47Å; L88-L96 HydrophobicContact CB-CD2 4.1Å; L88-L96 HydrophobicContact CD1-CD2 4.37Å; G92-L96 PolarHBondContact O-N 3.5Å; H93-L96 PolarHBondContact O-N 2.96Å; L96-Y98 PolarHBondContact O-N 2.8Å; L96-C99 WeakPolarHBondContact O-CB 3.42Å; L96-C99 PolarHBondContact O-N 2.95Å; L96-C99 VanDerWaalsContact O-N 3.11Å; L96-L100 HydrophobicContact CD1-CD1 4.34Å; L96-L100 HydrophobicContact CD1-CG 4.3Å; L96-L100 HydrophobicContact CG-CD1 4.06Å; L96-L100 HydrophobicContact CG-CG 4.44Å; L96-L100 WeakPolarHBondContact O-CG 3.28Å; L96-L100 PolarHBondContact O-N 3.31Å
97D96.6Very high93.8Very high62 Ų6251.1 Ų51.133%0.33226%0.258SS..Hα-helixtrans-57.9-40.5176.7-70.8-25.1000111.3H93 L100 N101H93-D97 IonicContact CE1-OD1 2.62Å; H93-D97 PolarHBondContact CE1-OD1 3.37Å; H93-D97 IonicContact CE1-OD2 2.71Å; H93-D97 PolarHBondContact CE1-OD2 3.28Å; H93-D97 VanDerWaalsContact CE1-OD2 3.28Å; H93-D97 IonicContact CG-OD2 3.47Å; H93-D97 IonicContact ND1-OD1 3.54Å; H93-D97 PolarHBondContact ND1-OD1 3.25Å; H93-D97 IonicContact ND1-OD2 3.22Å; H93-D97 PolarHBondContact ND1-OD2 3.21Å; H93-D97 WeakPolarHBondContact O-CB 3.28Å; H93-D97 VanDerWaalsContact O-CG 3.26Å; H93-D97 PolarHBondContact O-N 3.24Å; D97-L100 PolarHBondContact O-N 3.33Å; D97-N101 VanDerWaalsContact O-CB 3.29Å; D97-N101 WeakPolarHBondContact O-CB 3.33Å; D97-N101 VanDerWaalsContact O-CG 3.24Å; D97-N101 PolarHBondContact O-N 2.66Å; D97-N101 PolarHBondContact O-ND2 2.74Å
98Y95.5Very high93.3Very high54 Ų5453.5 Ų53.521%0.21227%0.271CS..Hα-helixtrans-62.4-46.5175.9-173.9-99.8000111.3A26 F28 K94 T95 L96 L100 N101 I102 D108 R112A26-Y98 HydrophobicContact CB-CE1 3.71Å; F28-Y98 AromaticContact CE2-CD1 3.85Å; F28-Y98 HydrophobicContact CE2-CD1 3.85Å; F28-Y98 HydrophobicContact CE2-CE1 4.02Å; F28-Y98 AromaticContact CZ-CD1 3.47Å; F28-Y98 HydrophobicContact CZ-CD1 3.47Å; F28-Y98 VanDerWaalsContact CZ-CD1 3.47Å; F28-Y98 AromaticContact CZ-CE1 3.63Å; F28-Y98 HydrophobicContact CZ-CE1 3.63Å; F28-Y98 HydrophobicContact CZ-CG 4.33Å; K94-Y98 WeakPolarHBondContact O-CB 3.14Å; K94-Y98 PolarHBondContact O-N 2.85Å; T95-Y98 WeakPolarHBondContact O-CB 3.22Å; T95-Y98 PolarHBondContact O-N 3.23Å; L96-Y98 PolarHBondContact O-N 2.8Å; Y98-L100 PolarHBondContact O-N 3.39Å; Y98-N101 PolarHBondContact O-N 3.3Å; Y98-I102 HydrophobicContact CD1-CD1 3.62Å; Y98-I102 HydrophobicContact CD1-CG1 4.34Å; Y98-I102 HydrophobicContact CE1-CD1 3.28Å; Y98-I102 HydrophobicContact CE1-CG1 4.16Å; Y98-I102 VanDerWaalsContact O-CG1 3.29Å; Y98-I102 WeakPolarHBondContact O-CG1 3.4Å; Y98-I102 PolarHBondContact O-N 3.41Å; Y98-D108 VanDerWaalsContact OH-CG 3.27Å; Y98-D108 PolarHBondContact OH-OD1 3.47Å; Y98-D108 PolarHBondContact OH-OD2 3.04Å; Y98-R112 PolarHBondContact OH-NH2 3.14Å; Y98-R112 VanDerWaalsContact OH-NH2 3.13Å
99C95.3Very high92.7Very high0 Ų053.8 Ų53.80%027%0.267CS..Hα-helixtrans-59.2-45.4175.3-62.50000112.7L42 F49 F77 T95 L96 I102 C103L42-C99 VanDerWaalsContact CD2-SG 3.58Å; F49-C99 HydrophobicContact CE1-CB 3.77Å; F49-C99 HydrophobicContact CZ-CB 4.35Å; F77-C99 HydrophobicContact CE1-CB 3.86Å; F77-C99 HydrophobicContact CZ-CB 3.65Å; T95-C99 PolarHBondContact O-N 3.31Å; T95-C99 PolarHBondContact O-SG 2.92Å; L96-C99 WeakPolarHBondContact O-CB 3.42Å; L96-C99 PolarHBondContact O-N 2.95Å; L96-C99 VanDerWaalsContact O-N 3.11Å; C99-I102 WeakPolarHBondContact O-CB 3.13Å; C99-I102 PolarHBondContact O-N 3.21Å; C99-C103 PolarHBondContact O-N 2.89Å; C99-C103 PolarHBondContact O-SG 3.28Å
100L94.1Very high92.4Very high65 Ų6551.6 Ų51.634%0.3426%0.264SS..Hα-helixtrans-65.6-38.7178.3-68.8173.6000112.1F77 L96 D97 Y98 I102 C103 A104F77-L100 HydrophobicContact CE1-CD2 4.21Å; L96-L100 HydrophobicContact CD1-CD1 4.34Å; L96-L100 HydrophobicContact CD1-CG 4.3Å; L96-L100 HydrophobicContact CG-CD1 4.06Å; L96-L100 HydrophobicContact CG-CG 4.44Å; L96-L100 WeakPolarHBondContact O-CG 3.28Å; L96-L100 PolarHBondContact O-N 3.31Å; D97-L100 PolarHBondContact O-N 3.33Å; Y98-L100 PolarHBondContact O-N 3.39Å; L100-I102 VanDerWaalsContact C-N 3.35Å; L100-C103 WeakPolarHBondContact O-CB 3.4Å; L100-C103 PolarHBondContact O-N 3.4Å; L100-A104 PolarHBondContact O-N 2.92Å
101N92.5Very high91.9Very high65 Ų6554 Ų5435%0.34828%0.279SS..Hα-helixtrans-63.7-41.1174.6-79.2-47.8000111.5D97 Y98 C103 A104 G105 K106D97-N101 VanDerWaalsContact O-CB 3.29Å; D97-N101 WeakPolarHBondContact O-CB 3.33Å; D97-N101 VanDerWaalsContact O-CG 3.24Å; D97-N101 PolarHBondContact O-N 2.66Å; D97-N101 PolarHBondContact O-ND2 2.74Å; Y98-N101 PolarHBondContact O-N 3.3Å; N101-C103 PolarHBondContact O-N 3.36Å; N101-A104 CarbonylContact O-C 3.58Å; N101-A104 PolarHBondContact O-N 3.23Å; N101-A104 VanDerWaalsContact O-N 3.14Å; N101-G105 PolarHBondContact O-N 3.31Å; N101-K106 CarbonylContact C-O 3.59Å; N101-K106 HydrophobicContact CB-CB 4.1Å; N101-K106 WeakPolarHBondContact O-CA 3.3Å; N101-K106 WeakPolarHBondContact O-CB 3.33Å; N101-K106 PolarHBondContact O-N 3.33Å; N101-K106 WeakPolarHBondContact OD1-CD 3.33Å
102I91Very high91.5Very high0 Ų055.7 Ų55.70%028%0.284CS..Hα-helixtrans-57.1-48.8172.7-69.3175.6000110.1I5 A26 I44 F49 Y74 Y98 C99 L100 A104 G105 L107I5-I102 HydrophobicContact CD1-CB 4.48Å; I5-I102 HydrophobicContact CD1-CG2 3.24Å; A26-I102 HydrophobicContact CB-CD1 4.44Å; I44-I102 HydrophobicContact CD1-CD1 3.71Å; I44-I102 HydrophobicContact CG2-CD1 4.38Å; I44-I102 HydrophobicContact CG2-CG2 4.25Å; F49-I102 HydrophobicContact CZ-CG2 4.49Å; Y74-I102 HydrophobicContact CE1-CG2 3.66Å; Y98-I102 HydrophobicContact CD1-CD1 3.62Å; Y98-I102 HydrophobicContact CD1-CG1 4.34Å; Y98-I102 HydrophobicContact CE1-CD1 3.28Å; Y98-I102 HydrophobicContact CE1-CG1 4.16Å; Y98-I102 VanDerWaalsContact O-CG1 3.29Å; Y98-I102 WeakPolarHBondContact O-CG1 3.4Å; Y98-I102 PolarHBondContact O-N 3.41Å; C99-I102 WeakPolarHBondContact O-CB 3.13Å; C99-I102 PolarHBondContact O-N 3.21Å; L100-I102 VanDerWaalsContact C-N 3.35Å; I102-A104 PolarHBondContact O-N 3.39Å; I102-G105 PolarHBondContact O-N 3.32Å; I102-L107 HydrophobicContact CB-CD2 4.23Å; I102-L107 HydrophobicContact CG1-CD2 3.82Å; I102-L107 HydrophobicContact CG2-CD2 4Å
103C89.2Confident91.2Very high16 Ų1655.7 Ų55.711%0.10828%0.277CS..Hα-helixtrans-58.5-36.1176.3-68.50000113.1F49 Y74 F77 C99 L100 N101 G105F49-C103 VanDerWaalsContact CE2-SG 3.51Å; F49-C103 VanDerWaalsContact CZ-SG 3.58Å; Y74-C103 HydrophobicContact CD1-CB 4.35Å; Y74-C103 VanDerWaalsContact CD1-SG 3.6Å; F77-C103 WeakPolarHBondContact CD1-SG 3.45Å; C99-C103 PolarHBondContact O-N 2.89Å; C99-C103 PolarHBondContact O-SG 3.28Å; L100-C103 WeakPolarHBondContact O-CB 3.4Å; L100-C103 PolarHBondContact O-N 3.4Å; N101-C103 PolarHBondContact O-N 3.36Å; C103-G105 PolarHBondContact O-N 2.87Å
104A87.2Confident90.9Very high51 Ų5151.8 Ų51.842%0.42126%0.262SS..THydrogen-bonded Turntrans-776.917600000114H3 L100 N101 I102 K106H3-A104 CarbonylContact O-C 3.58Å; L100-A104 PolarHBondContact O-N 2.92Å; N101-A104 CarbonylContact O-C 3.58Å; N101-A104 PolarHBondContact O-N 3.23Å; N101-A104 VanDerWaalsContact O-N 3.14Å; I102-A104 PolarHBondContact O-N 3.39Å; A104-K106 VanDerWaalsContact C-N 3.27Å; A104-K106 HydrophobicContact CB-CG 4.49Å; A104-K106 PolarHBondContact O-N 3.23Å
105G84.8Confident90.6Very high9 Ų947 Ų479%0.09325%0.245CC..THydrogen-bonded Turntrans75.511.4-178.800000114.4H3 N101 I102 C103 L107 Y109H3-G105 WeakPolarHBondContact O-CA 3.33Å; N101-G105 PolarHBondContact O-N 3.31Å; I102-G105 PolarHBondContact O-N 3.32Å; C103-G105 PolarHBondContact O-N 2.87Å; G105-L107 PolarHBondContact O-N 3.48Å; G105-Y109 PolarHBondContact O-OH 3.31Å
106K88.2Confident90.2Very high140 Ų14052.6 Ų52.661%0.60927%0.27SS*.  trans-93.193.1178.9-61.2174.9-176.8173.90109.4N101 A104N101-K106 CarbonylContact C-O 3.59Å; N101-K106 HydrophobicContact CB-CB 4.1Å; N101-K106 WeakPolarHBondContact O-CA 3.3Å; N101-K106 WeakPolarHBondContact O-CB 3.33Å; N101-K106 PolarHBondContact O-N 3.33Å; N101-K106 WeakPolarHBondContact OD1-CD 3.33Å; A104-K106 VanDerWaalsContact C-N 3.27Å; A104-K106 HydrophobicContact CB-CG 4.49Å; A104-K106 PolarHBondContact O-N 3.23Å
107L83.7Confident89.9Confident16 Ų1653.9 Ų53.98%0.08428%0.277CS..  trans-101.6155.1177.7-59.5171000111.5I5 V8 L9 F20 I25 I102 G105 Y109I5-L107 HydrophobicContact CD1-CD1 4.23Å; I5-L107 HydrophobicContact CD1-CD2 3.89Å; I5-L107 HydrophobicContact CD1-CG 4.45Å; I5-L107 HydrophobicContact CG1-CD1 4.36Å; V8-L107 HydrophobicContact CG1-CD1 3.83Å; L9-L107 HydrophobicContact CD2-CD1 4.18Å; F20-L107 HydrophobicContact CE1-CB 4.08Å; F20-L107 HydrophobicContact CE1-CD1 3.86Å; F20-L107 HydrophobicContact CE1-CD2 4.42Å; F20-L107 HydrophobicContact CE1-CG 4.35Å; F20-L107 HydrophobicContact CE2-CD1 3.83Å; F20-L107 HydrophobicContact CZ-CB 3.71Å; F20-L107 HydrophobicContact CZ-CD1 3.43Å; F20-L107 VanDerWaalsContact CZ-CD1 3.43Å; F20-L107 HydrophobicContact CZ-CG 4.1Å; I25-L107 HydrophobicContact CG2-CD2 4.46Å; I102-L107 HydrophobicContact CB-CD2 4.23Å; I102-L107 HydrophobicContact CG1-CD2 3.82Å; I102-L107 HydrophobicContact CG2-CD2 4Å; G105-L107 PolarHBondContact O-N 3.48Å; L107-Y109 VanDerWaalsContact C-N 3.25Å; L107-Y109 HydrophobicContact CB-CD1 4.3Å; L107-Y109 HydrophobicContact CB-CD2 4.34Å; L107-Y109 HydrophobicContact CB-CE1 3.86Å; L107-Y109 HydrophobicContact CB-CE2 3.91Å; L107-Y109 HydrophobicContact CD1-CE1 4Å; L107-Y109 HydrophobicContact CG-CE1 4.46Å; L107-Y109 WeakPolarHBondContact O-CD2 3.39Å; L107-Y109 WeakPolarHBondContact O-CE2 3.28Å; L107-Y109 PolarHBondContact O-N 3.37Å; L107-Y109 VanDerWaalsContact O-N 3.08Å
108D86.5Confident89.7Confident51 Ų5151 Ų5127%0.27326%0.261SS..  trans-82.858.8176.253.8-13.6000111.7Y98 L110 V111 R112Y98-D108 VanDerWaalsContact OH-CG 3.27Å; Y98-D108 PolarHBondContact OH-OD1 3.47Å; Y98-D108 PolarHBondContact OH-OD2 3.04Å; D108-L110 VanDerWaalsContact C-N 3.28Å; D108-L110 PolarHBondContact O-N 2.77Å; D108-V111 HydrophobicContact CB-CG2 4.02Å; D108-V111 WeakPolarHBondContact O-CG2 3.34Å; D108-V111 PolarHBondContact O-N 2.84Å; D108-R112 IonicContact OD1-CZ 3.16Å; D108-R112 IonicContact OD1-NE 3.98Å; D108-R112 PolarHBondContact OD1-NE 3.21Å; D108-R112 IonicContact OD1-NH2 3.26Å; D108-R112 PolarHBondContact OD1-NH2 3.08Å; D108-R112 IonicContact OD2-NE 3.24Å; D108-R112 IonicContact OD2-NH2 2.88Å
109Y85.4Confident89.5Confident72 Ų7250.7 Ų50.728%0.28227%0.265SS..G310 helixtrans-56.4-40.8-175.8-52.9-81.9000113V8 I14 F20 G105 L107 V111 R112 I113V8-Y109 HydrophobicContact CG1-CE1 3.87Å; V8-Y109 WeakPolarHBondContact CG1-OH 3.45Å; I14-Y109 HydrophobicContact CD1-CE1 3.98Å; F20-Y109 AromaticContact CE2-CD1 3.72Å; F20-Y109 HydrophobicContact CE2-CD1 3.72Å; F20-Y109 AromaticContact CE2-CE1 3.73Å; F20-Y109 HydrophobicContact CE2-CE1 3.73Å; F20-Y109 AromaticContact CZ-CD1 3.57Å; F20-Y109 HydrophobicContact CZ-CD1 3.57Å; F20-Y109 AromaticContact CZ-CE1 3.72Å; F20-Y109 HydrophobicContact CZ-CE1 3.72Å; G105-Y109 PolarHBondContact O-OH 3.31Å; L107-Y109 VanDerWaalsContact C-N 3.25Å; L107-Y109 HydrophobicContact CB-CD1 4.3Å; L107-Y109 HydrophobicContact CB-CD2 4.34Å; L107-Y109 HydrophobicContact CB-CE1 3.86Å; L107-Y109 HydrophobicContact CB-CE2 3.91Å; L107-Y109 HydrophobicContact CD1-CE1 4Å; L107-Y109 HydrophobicContact CG-CE1 4.46Å; L107-Y109 WeakPolarHBondContact O-CD2 3.39Å; L107-Y109 WeakPolarHBondContact O-CE2 3.28Å; L107-Y109 PolarHBondContact O-N 3.37Å; L107-Y109 VanDerWaalsContact O-N 3.08Å; Y109-V111 VanDerWaalsContact C-N 3.28Å; Y109-V111 PolarHBondContact O-N 3.47Å; Y109-R112 PolarHBondContact O-N 3.46Å; Y109-I113 WeakPolarHBondContact O-CG1 3.34Å; Y109-I113 PolarHBondContact O-N 3.28Å; Y109-I113 VanDerWaalsContact O-N 3.08Å
110L88.5Confident89.4Confident73 Ų7355.9 Ų55.938%0.38229%0.289SS..G310 helixtrans-60.7-35.4-169.7-164.970.6000112.8D108 R112 L118 L133 F140D108-L110 VanDerWaalsContact C-N 3.28Å; D108-L110 PolarHBondContact O-N 2.77Å; L110-R112 VanDerWaalsContact C-N 3.26Å; L110-R112 PolarHBondContact O-N 3.17Å; L110-L118 HydrophobicContact CD1-CD2 3.73Å; L110-L118 HydrophobicContact CG-CD2 4.14Å; L110-L118 WeakPolarHBondContact O-CD1 3.19Å; L110-L118 VanDerWaalsContact O-CD2 3.22Å; L110-L118 WeakPolarHBondContact O-CD2 3.5Å; L110-L133 HydrophobicContact CD2-CD1 4.23Å; L110-F140 HydrophobicContact CB-CZ 4.3Å; L110-F140 HydrophobicContact CD2-CE1 4.19Å; L110-F140 HydrophobicContact CD2-CE2 4.18Å; L110-F140 HydrophobicContact CD2-CZ 3.63Å; L110-F140 HydrophobicContact CG-CE1 4.15Å; L110-F140 HydrophobicContact CG-CZ 3.61Å
111V87.8Confident89.3Confident66 Ų6656 Ų5640%0.429%0.289SS..G310 helixtrans-82.8-3.4178.5-63.70000113.4D108 Y109 F140D108-V111 HydrophobicContact CB-CG2 4.02Å; D108-V111 WeakPolarHBondContact O-CG2 3.34Å; D108-V111 PolarHBondContact O-N 2.84Å; Y109-V111 VanDerWaalsContact C-N 3.28Å; Y109-V111 PolarHBondContact O-N 3.47Å; V111-F140 HydrophobicContact CG1-CE2 3.53Å; V111-F140 HydrophobicContact CG1-CZ 3.86Å
112R89.6Confident89.4Confident63 Ų6353 Ų5324%0.23827%0.273CS..THydrogen-bonded Turntrans-113.5-13.8-175.6-62.8177.2-177.3-95.42.6113.9I19 I25 Y98 D108 Y109 L110I19-R112 HydrophobicContact CG2-CB 3.67Å; I19-R112 WeakPolarHBondContact O-CB 3.16Å; I25-R112 VanDerWaalsContact O-CZ 3.22Å; I25-R112 PolarHBondContact O-NH1 3.43Å; I25-R112 PolarHBondContact O-NH2 3.18Å; Y98-R112 PolarHBondContact OH-NH2 3.14Å; Y98-R112 VanDerWaalsContact OH-NH2 3.13Å; D108-R112 IonicContact OD1-CZ 3.16Å; D108-R112 IonicContact OD1-NE 3.98Å; D108-R112 PolarHBondContact OD1-NE 3.21Å; D108-R112 IonicContact OD1-NH2 3.26Å; D108-R112 PolarHBondContact OD1-NH2 3.08Å; D108-R112 IonicContact OD2-NE 3.24Å; D108-R112 IonicContact OD2-NH2 2.88Å; Y109-R112 PolarHBondContact O-N 3.46Å; L110-R112 VanDerWaalsContact C-N 3.26Å; L110-R112 PolarHBondContact O-N 3.17Å
113I90.4Very high89.3Confident28 Ų2855.3 Ų55.314%0.14428%0.284CS..SBendtrans-66.4141.9176.2-70.3164.1000108.4I19 Y109 I117 L118 I121I19-I113 HydrophobicContact CD1-CG1 4.22Å; Y109-I113 WeakPolarHBondContact O-CG1 3.34Å; Y109-I113 PolarHBondContact O-N 3.28Å; Y109-I113 VanDerWaalsContact O-N 3.08Å; I113-I117 HydrophobicContact CG2-CB 3.56Å; I113-I117 HydrophobicContact CG2-CD1 4.2Å; I113-I117 HydrophobicContact CG2-CG1 4.44Å; I113-I117 HydrophobicContact CG2-CG2 3.69Å; I113-L118 HydrophobicContact CB-CD1 4.36Å; I113-L118 HydrophobicContact CB-CD2 4.04Å; I113-L118 HydrophobicContact CB-CG 3.92Å; I113-L118 HydrophobicContact CG2-CD2 4.23Å; I113-L118 HydrophobicContact CG2-CG 3.89Å; I113-L118 WeakPolarHBondContact O-CD1 3.4Å; I113-I121 HydrophobicContact CD1-CD1 4.42Å
114P90.5Very high89.4Confident35 Ų3563.4 Ų63.423%0.22731%0.313CS..  trans-53.8145.1174-26.834.2000113.2E116 I117 L118P114-E116 WeakPolarHBondContact CB-OE2 3.1Å; P114-E116 PolarHBondContact O-N 3.18Å; P114-E116 VanDerWaalsContact O-N 3.13Å; P114-I117 HydrophobicContact CG-CD1 4.38Å; P114-I117 PolarHBondContact O-N 3.44Å; P114-I117 VanDerWaalsContact O-N 3.11Å; P114-L118 PolarHBondContact O-N 2.89Å; P114-L118 VanDerWaalsContact O-N 3.09Å
115N90.3Very high89.6Confident82 Ų8264 Ų6444%0.43931%0.309SS..Hα-helixtrans-55-36.1-175.8-79-1000112.4I117 L118 V119 Y139N115-I117 VanDerWaalsContact C-N 3.32Å; N115-I117 PolarHBondContact O-N 3.49Å; N115-L118 PolarHBondContact O-N 3.47Å; N115-V119 VanDerWaalsContact O-CG2 3.28Å; N115-V119 WeakPolarHBondContact O-CG2 3.36Å; N115-V119 PolarHBondContact O-N 3.12Å; N115-Y139 PolarHBondContact OD1-OH 3.3Å
116E89Confident89.9Confident138 Ų13867.6 Ų67.665%0.64533%0.326SS*.Hα-helixtrans-61.1-43.6-177.6-54.575.4-16100110.9P114 E120P114-E116 WeakPolarHBondContact CB-OE2 3.1Å; P114-E116 PolarHBondContact O-N 3.18Å; P114-E116 VanDerWaalsContact O-N 3.13Å; E116-E120 WeakPolarHBondContact O-CG 3.37Å; E116-E120 PolarHBondContact O-N 3.13Å
117I91.1Very high89.9Confident46 Ų4663.7 Ų63.724%0.23631%0.311CS..Hα-helixtrans-75.3-35.9179.5-55.3172.3000110.4Y17 I113 P114 N115 E120 I121Y17-I117 HydrophobicContact CD1-CD1 3.37Å; Y17-I117 HydrophobicContact CD2-CD1 4.16Å; Y17-I117 HydrophobicContact CE1-CD1 3.29Å; Y17-I117 HydrophobicContact CE1-CG1 4.35Å; Y17-I117 HydrophobicContact CE2-CD1 4.09Å; Y17-I117 HydrophobicContact CG-CD1 3.81Å; I113-I117 HydrophobicContact CG2-CB 3.56Å; I113-I117 HydrophobicContact CG2-CD1 4.2Å; I113-I117 HydrophobicContact CG2-CG1 4.44Å; I113-I117 HydrophobicContact CG2-CG2 3.69Å; P114-I117 HydrophobicContact CG-CD1 4.38Å; P114-I117 PolarHBondContact O-N 3.44Å; P114-I117 VanDerWaalsContact O-N 3.11Å; N115-I117 VanDerWaalsContact C-N 3.32Å; N115-I117 PolarHBondContact O-N 3.49Å; I117-E120 WeakPolarHBondContact O-CB 3.44Å; I117-E120 PolarHBondContact O-N 3.09Å; I117-I121 HydrophobicContact CG2-CD1 3.98Å; I117-I121 HydrophobicContact CG2-CG1 4.43Å; I117-I121 WeakPolarHBondContact O-CG1 3.15Å; I117-I121 PolarHBondContact O-N 3.25Å
118L92.7Very high90.2Very high1 Ų169.3 Ų69.31%0.00534%0.337CS..Hα-helixtrans-64.1-41.3176.7-76.3172.2000112.3L110 I113 P114 N115 E120 I121 I122 Y139 F140 I143L110-L118 HydrophobicContact CD1-CD2 3.73Å; L110-L118 HydrophobicContact CG-CD2 4.14Å; L110-L118 WeakPolarHBondContact O-CD1 3.19Å; L110-L118 VanDerWaalsContact O-CD2 3.22Å; L110-L118 WeakPolarHBondContact O-CD2 3.5Å; I113-L118 HydrophobicContact CB-CD1 4.36Å; I113-L118 HydrophobicContact CB-CD2 4.04Å; I113-L118 HydrophobicContact CB-CG 3.92Å; I113-L118 HydrophobicContact CG2-CD2 4.23Å; I113-L118 HydrophobicContact CG2-CG 3.89Å; I113-L118 WeakPolarHBondContact O-CD1 3.4Å; P114-L118 PolarHBondContact O-N 2.89Å; P114-L118 VanDerWaalsContact O-N 3.09Å; N115-L118 PolarHBondContact O-N 3.47Å; L118-E120 VanDerWaalsContact C-N 3.31Å; L118-E120 PolarHBondContact O-N 2.79Å; L118-I121 PolarHBondContact O-N 3.11Å; L118-I122 WeakPolarHBondContact O-CB 3.36Å; L118-I122 WeakPolarHBondContact O-CD1 2.95Å; L118-I122 WeakPolarHBondContact O-CG1 3.49Å; L118-I122 PolarHBondContact O-N 3.41Å; L118-Y139 HydrophobicContact CD1-CE1 3.84Å; L118-Y139 WeakPolarHBondContact CD1-OH 3.31Å; L118-F140 HydrophobicContact CD2-CE1 4.49Å; L118-I143 HydrophobicContact CD1-CD1 4.38Å
119V92.2Very high90.6Very high48 Ų4870.2 Ų70.229%0.29134%0.342SS..Hα-helixtrans-59.9-44.6175.3169.60000110.3N115 I122 F123 I143 L149N115-V119 VanDerWaalsContact O-CG2 3.28Å; N115-V119 WeakPolarHBondContact O-CG2 3.36Å; N115-V119 PolarHBondContact O-N 3.12Å; V119-I122 PolarHBondContact O-N 3.13Å; V119-F123 VanDerWaalsContact O-CB 3.31Å; V119-F123 WeakPolarHBondContact O-CB 3.48Å; V119-F123 PolarHBondContact O-N 3.38Å; V119-I143 HydrophobicContact CG2-CG2 4.01Å; V119-L149 HydrophobicContact CG1-CD1 4.2Å
120E91.9Very high91Very high109 Ų10966.8 Ų66.851%0.50933%0.329SS..Hα-helixtrans-60.1-48.2174.8-68.5-63.7150.900111.9E116 I117 L118 I122 F123 Y124E116-E120 WeakPolarHBondContact O-CG 3.37Å; E116-E120 PolarHBondContact O-N 3.13Å; I117-E120 WeakPolarHBondContact O-CB 3.44Å; I117-E120 PolarHBondContact O-N 3.09Å; L118-E120 VanDerWaalsContact C-N 3.31Å; L118-E120 PolarHBondContact O-N 2.79Å; E120-I122 VanDerWaalsContact C-N 3.33Å; E120-I122 PolarHBondContact O-N 2.68Å; E120-F123 WeakPolarHBondContact O-CB 3.45Å; E120-F123 PolarHBondContact O-N 2.88Å; E120-Y124 WeakPolarHBondContact O-CD2 3.34Å; E120-Y124 PolarHBondContact O-N 3.03Å
121I92.9Very high91.1Very high67 Ų6766.3 Ų66.334%0.34433%0.326SS..Hα-helixtrans-58.5-47.2177.8-68.9165.8000110.7I113 I117 L118 F123 Y124I113-I121 HydrophobicContact CD1-CD1 4.42Å; I117-I121 HydrophobicContact CG2-CD1 3.98Å; I117-I121 HydrophobicContact CG2-CG1 4.43Å; I117-I121 WeakPolarHBondContact O-CG1 3.15Å; I117-I121 PolarHBondContact O-N 3.25Å; L118-I121 PolarHBondContact O-N 3.11Å; I121-F123 VanDerWaalsContact C-N 3.27Å; I121-F123 PolarHBondContact O-N 3.4Å; I121-Y124 PolarHBondContact O-N 3.04Å; I121-Y124 VanDerWaalsContact O-N 3.16Å
122I93.5Very high91.5Very high2 Ų267 Ų671%0.0133%0.327CS..Hα-helixtrans-64.1-36.1-178.8-68166.4000110.6L118 V119 E120 Y124 L125 V130 L133 I143 L149L118-I122 WeakPolarHBondContact O-CB 3.36Å; L118-I122 WeakPolarHBondContact O-CD1 2.95Å; L118-I122 WeakPolarHBondContact O-CG1 3.49Å; L118-I122 PolarHBondContact O-N 3.41Å; V119-I122 PolarHBondContact O-N 3.13Å; E120-I122 VanDerWaalsContact C-N 3.33Å; E120-I122 PolarHBondContact O-N 2.68Å; I122-Y124 PolarHBondContact O-N 2.69Å; I122-L125 WeakPolarHBondContact O-CB 3.3Å; I122-L125 PolarHBondContact O-N 3.15Å; I122-V130 HydrophobicContact CG2-CG1 3.99Å; I122-V130 HydrophobicContact CG2-CG2 3.94Å; I122-L133 HydrophobicContact CD1-CD2 4.14Å; I122-L133 HydrophobicContact CG1-CD2 3.83Å; I122-I143 HydrophobicContact CD1-CB 4.33Å; I122-I143 HydrophobicContact CD1-CG2 3.49Å; I122-I143 VanDerWaalsContact CD1-CG2 3.49Å; I122-L149 HydrophobicContact CG2-CD1 4.24Å; I122-L149 HydrophobicContact CG2-CD2 3.66Å
123F90.3Very high91.7Very high49 Ų4965.4 Ų65.422%0.21532%0.323CS..Hα-helixtrans-61.8-29.3176.8179.3-99.8000113.1V119 E120 I121 L149 E152 I153 N156V119-F123 VanDerWaalsContact O-CB 3.31Å; V119-F123 WeakPolarHBondContact O-CB 3.48Å; V119-F123 PolarHBondContact O-N 3.38Å; E120-F123 WeakPolarHBondContact O-CB 3.45Å; E120-F123 PolarHBondContact O-N 2.88Å; I121-F123 VanDerWaalsContact C-N 3.27Å; I121-F123 PolarHBondContact O-N 3.4Å; F123-L149 HydrophobicContact CB-CD1 4.33Å; F123-E152 HydrophobicContact CD2-CB 4.07Å; F123-E152 HydrophobicContact CE2-CB 3.72Å; F123-I153 HydrophobicContact CD2-CG1 4.13Å; F123-I153 HydrophobicContact CE2-CG1 4.47Å; F123-N156 HydrophobicContact CE2-CB 4.02Å; F123-N156 HydrophobicContact CZ-CB 3.7Å
124Y90.4Very high91.9Very high185 Ų18564.2 Ų64.273%0.72532%0.318SS*.THydrogen-bonded Turntrans-83-6.4174.2-72-74.6000114.5E120 I121 I122E120-Y124 WeakPolarHBondContact O-CD2 3.34Å; E120-Y124 PolarHBondContact O-N 3.03Å; I121-Y124 PolarHBondContact O-N 3.04Å; I121-Y124 VanDerWaalsContact O-N 3.16Å; I122-Y124 PolarHBondContact O-N 2.69Å
125L92.4Very high92.1Very high63 Ų6367.9 Ų67.933%0.3334%0.34SS..SBendtrans-77.1152.9175.7-60.9-179.5000111I122 D129 V130 L133I122-L125 WeakPolarHBondContact O-CB 3.3Å; I122-L125 PolarHBondContact O-N 3.15Å; L125-D129 HydrophobicContact CB-CB 4.13Å; L125-D129 HydrophobicContact CD1-CB 4.48Å; L125-V130 HydrophobicContact CB-CG2 3.78Å; L125-L133 HydrophobicContact CD1-CD2 3.98Å
126N90Very high92.3Very high85 Ų8568.3 Ų68.346%0.45535%0.346SS..  trans-69.1160.7169.471.739.9000110E128 D129 V130N126-E128 PolarHBondContact O-N 3.43Å; N126-E128 PolarHBondContact OD1-N 3.32Å; N126-E128 VanDerWaalsContact OD1-N 3.17Å; N126-D129 VanDerWaalsContact CG-OD2 3.24Å; N126-D129 PolarHBondContact ND2-OD2 3.29Å; N126-D129 PolarHBondContact O-N 3.27Å; N126-D129 VanDerWaalsContact OD1-CB 3.28Å; N126-D129 WeakPolarHBondContact OD1-CB 3.49Å; N126-D129 PolarHBondContact OD1-N 3.07Å; N126-D129 PolarHBondContact OD1-OD2 3.21Å; N126-V130 WeakPolarHBondContact O-CG2 3.44Å; N126-V130 PolarHBondContact O-N 3.06Å
127L89Confident92.4Very high58 Ų5863.8 Ų63.830%0.30433%0.329SS..Hα-helixtrans-60.6-33.8-174.8-63.5-178.6000113.4I131 W150 I153 L179L127-I131 WeakPolarHBondContact O-CD1 3.41Å; L127-I131 VanDerWaalsContact O-CG1 3.26Å; L127-I131 WeakPolarHBondContact O-CG1 3.29Å; L127-I131 PolarHBondContact O-N 2.6Å; L127-I131 VanDerWaalsContact O-N 3.14Å; L127-W150 HydrophobicContact CD2-CH2 4.48Å; L127-W150 HydrophobicContact CD2-CZ3 4Å; L127-I153 HydrophobicContact CD2-CG2 3.51Å; L127-L179 HydrophobicContact CD1-CD2 3.98Å; L127-L179 HydrophobicContact CD2-CD2 4.07Å
128E90.7Very high92.5Very high134 Ų13470.1 Ų70.163%0.62636%0.355SS*.Hα-helixtrans-66.9-44.5179-177173.8179.100111N126 I131 N132N126-E128 PolarHBondContact O-N 3.43Å; N126-E128 PolarHBondContact OD1-N 3.32Å; N126-E128 VanDerWaalsContact OD1-N 3.17Å; E128-I131 PolarHBondContact O-N 3.49Å; E128-N132 WeakPolarHBondContact O-CB 3.29Å; E128-N132 VanDerWaalsContact O-CG 3.27Å; E128-N132 PolarHBondContact O-N 3.25Å; E128-N132 PolarHBondContact O-ND2 3.33Å
129D94.5Very high92.6Very high70 Ų7073.3 Ų73.337%0.37437%0.368SS..Hα-helixtrans-66.3-38.8177.9-69.4-25.1000111.6L125 N126 I131 N132 L133L125-D129 HydrophobicContact CB-CB 4.13Å; L125-D129 HydrophobicContact CD1-CB 4.48Å; N126-D129 VanDerWaalsContact CG-OD2 3.24Å; N126-D129 PolarHBondContact ND2-OD2 3.29Å; N126-D129 PolarHBondContact O-N 3.27Å; N126-D129 VanDerWaalsContact OD1-CB 3.28Å; N126-D129 WeakPolarHBondContact OD1-CB 3.49Å; N126-D129 PolarHBondContact OD1-N 3.07Å; N126-D129 PolarHBondContact OD1-OD2 3.21Å; D129-I131 VanDerWaalsContact C-N 3.32Å; D129-I131 PolarHBondContact O-N 3.08Å; D129-N132 PolarHBondContact O-N 2.93Å; D129-L133 WeakPolarHBondContact O-CB 3.48Å; D129-L133 PolarHBondContact O-N 3.44Å
130V93.2Very high92.7Very high1 Ų171.4 Ų71.41%0.00636%0.355CS..Hα-helixtrans-60.5-43.7173.2177.30000110.7I122 L125 N126 G134 C144 L149 W150I122-V130 HydrophobicContact CG2-CG1 3.99Å; I122-V130 HydrophobicContact CG2-CG2 3.94Å; L125-V130 HydrophobicContact CB-CG2 3.78Å; N126-V130 WeakPolarHBondContact O-CG2 3.44Å; N126-V130 PolarHBondContact O-N 3.06Å; V130-G134 PolarHBondContact O-N 3.49Å; V130-G134 VanDerWaalsContact O-N 3.08Å; V130-C144 HydrophobicContact CG1-CB 4.06Å; V130-L149 HydrophobicContact CG1-CD2 4.49Å; V130-W150 HydrophobicContact CG1-CH2 4.38Å; V130-W150 HydrophobicContact CG1-CZ2 4.04Å
131I90.9Very high92.9Very high63 Ų6371 Ų7132%0.32335%0.354SS..Hα-helixtrans-65.7-48.6178.2-68.4165.5000110.2L127 E128 D129 L133 G134 T135 W150 F180L127-I131 WeakPolarHBondContact O-CD1 3.41Å; L127-I131 VanDerWaalsContact O-CG1 3.26Å; L127-I131 WeakPolarHBondContact O-CG1 3.29Å; L127-I131 PolarHBondContact O-N 2.6Å; L127-I131 VanDerWaalsContact O-N 3.14Å; E128-I131 PolarHBondContact O-N 3.49Å; D129-I131 VanDerWaalsContact C-N 3.32Å; D129-I131 PolarHBondContact O-N 3.08Å; I131-L133 PolarHBondContact O-N 3.08Å; I131-G134 PolarHBondContact O-N 3.37Å; I131-T135 PolarHBondContact O-N 2.9Å; I131-W150 HydrophobicContact CG1-CH2 4.43Å; I131-F180 HydrophobicContact CD1-CE2 4.48Å; I131-F180 HydrophobicContact CD1-CZ 3.88Å
132N95.4Very high92.9Very high80 Ų8074.5 Ų74.543%0.42837%0.368SS..Hα-helixtrans-60.9-45.3-180-72.7-27.8000111.1E128 D129 G134 T135E128-N132 WeakPolarHBondContact O-CB 3.29Å; E128-N132 VanDerWaalsContact O-CG 3.27Å; E128-N132 PolarHBondContact O-N 3.25Å; E128-N132 PolarHBondContact O-ND2 3.33Å; D129-N132 PolarHBondContact O-N 2.93Å; N132-G134 VanDerWaalsContact C-N 3.31Å; N132-G134 PolarHBondContact O-N 2.99Å; N132-T135 PolarHBondContact O-N 3.2Å; N132-T135 PolarHBondContact O-OG1 3.21Å
133L94.7Very high92.9Very high29 Ų2975.1 Ų75.115%0.15237%0.372CS..Hα-helixtrans-58-43175.7-177.561.9000111.9L110 I122 L125 D129 I131 T135 T136 F140L110-L133 HydrophobicContact CD2-CD1 4.23Å; I122-L133 HydrophobicContact CD1-CD2 4.14Å; I122-L133 HydrophobicContact CG1-CD2 3.83Å; L125-L133 HydrophobicContact CD1-CD2 3.98Å; D129-L133 WeakPolarHBondContact O-CB 3.48Å; D129-L133 PolarHBondContact O-N 3.44Å; I131-L133 PolarHBondContact O-N 3.08Å; L133-T135 PolarHBondContact O-N 2.88Å; L133-T136 WeakPolarHBondContact O-CB 3.13Å; L133-T136 PolarHBondContact O-N 3.12Å; L133-T136 PolarHBondContact O-OG1 3.41Å; L133-F140 HydrophobicContact CD1-CB 4.5Å; L133-F140 HydrophobicContact CD1-CD1 4.08Å; L133-F140 HydrophobicContact CD1-CD2 3.96Å; L133-F140 HydrophobicContact CD1-CE1 4.37Å; L133-F140 HydrophobicContact CD1-CE2 4.25Å; L133-F140 HydrophobicContact CD1-CG 3.91Å; L133-F140 HydrophobicContact CD1-CZ 4.48Å; L133-F140 HydrophobicContact CD2-CD1 4.06Å; L133-F140 HydrophobicContact CD2-CE1 4.42Å; L133-F140 HydrophobicContact CG-CB 4.2Å; L133-F140 HydrophobicContact CG-CD1 3.95Å; L133-F140 HydrophobicContact CG-CG 3.97Å; L133-F140 WeakPolarHBondContact O-CB 3.25Å
134G94.2Very high93.1Very high4 Ų472.9 Ų72.94%0.04136%0.362CS..THydrogen-bonded Turntrans-62.4-9.4176.400000115.3V130 I131 N132 H141V130-G134 PolarHBondContact O-N 3.49Å; V130-G134 VanDerWaalsContact O-N 3.08Å; I131-G134 PolarHBondContact O-N 3.37Å; N132-G134 VanDerWaalsContact C-N 3.31Å; N132-G134 PolarHBondContact O-N 2.99Å; G134-H141 WeakPolarHBondContact O-CA 3.34Å; G134-H141 WeakPolarHBondContact O-CB 3.23Å; G134-H141 PolarHBondContact O-ND1 3.39Å; G134-H141 VanDerWaalsContact O-ND1 3.15Å
135T95.3Very high93.2Very high111 Ų11166.9 Ų66.968%0.68134%0.342SS*.THydrogen-bonded Turntrans-97.2-8.5175.268.30000113.6I131 N132 L133I131-T135 PolarHBondContact O-N 2.9Å; N132-T135 PolarHBondContact O-N 3.2Å; N132-T135 PolarHBondContact O-OG1 3.21Å; L133-T135 PolarHBondContact O-N 2.88Å
136T93.5Very high93.2Very high91 Ų9165.2 Ų65.256%0.55834%0.336SS*.THydrogen-bonded Turntrans-80.3-31.2-172.6630000114L133 F140L133-T136 WeakPolarHBondContact O-CB 3.13Å; L133-T136 PolarHBondContact O-N 3.12Å; L133-T136 PolarHBondContact O-OG1 3.41Å; T136-F140 WeakPolarHBondContact OG1-CD2 3.34Å
137S92.3Very high93.3Very high43 Ų4364.9 Ų64.930%0.30133%0.334SS..  trans-157.1160.6-179.879.90000111.3Y139 F140 H141S137-Y139 PolarHBondContact O-N 2.85Å; S137-Y139 PolarHBondContact OG-N 3.41Å; S137-F140 PolarHBondContact O-N 3.08Å; S137-F140 VanDerWaalsContact OG-CD2 3.28Å; S137-F140 WeakPolarHBondContact OG-CD2 3.43Å; S137-F140 PolarHBondContact OG-N 2.94Å; S137-H141 VanDerWaalsContact O-CB 3.3Å; S137-H141 WeakPolarHBondContact O-CB 3.46Å; S137-H141 PolarHBondContact O-N 3.42Å
138K93.6Very high93.5Very high180 Ų18066 Ų6678%0.78335%0.347SS*.Hα-helixtrans-59.1-39.1173.2-67.6-176.9177.9-1780111.9H141 E142K138-H141 WeakPolarHBondContact O-CB 3.45Å; K138-H141 PolarHBondContact O-N 2.77Å; K138-E142 PolarHBondContact O-N 3.43Å
139Y93Very high93.5Very high68 Ų6859.7 Ų59.727%0.26732%0.318SS..Hα-helixtrans-61.9-50.2178.7175.6-112.5000112N115 L118 S137 H141 E142 I143N115-Y139 PolarHBondContact OD1-OH 3.3Å; L118-Y139 HydrophobicContact CD1-CE1 3.84Å; L118-Y139 WeakPolarHBondContact CD1-OH 3.31Å; S137-Y139 PolarHBondContact O-N 2.85Å; S137-Y139 PolarHBondContact OG-N 3.41Å; Y139-H141 VanDerWaalsContact C-N 3.29Å; Y139-H141 PolarHBondContact O-N 3.18Å; Y139-E142 PolarHBondContact O-N 2.83Å; Y139-I143 HydrophobicContact CD1-CD1 4.28Å; Y139-I143 HydrophobicContact CD2-CD1 4.31Å; Y139-I143 HydrophobicContact CE1-CD1 3.76Å; Y139-I143 HydrophobicContact CE2-CD1 3.77Å; Y139-I143 VanDerWaalsContact CZ-CD1 3.48Å; Y139-I143 PolarHBondContact O-N 3.16Å
140F95Very high93.4Very high7 Ų756.4 Ų56.43%0.03130%0.3CS..Hα-helixtrans-69.4-29.7175.6-73.5-59.1000112.6L110 V111 L118 L133 T136 S137 E142 I143 C144L110-F140 HydrophobicContact CB-CZ 4.3Å; L110-F140 HydrophobicContact CD2-CE1 4.19Å; L110-F140 HydrophobicContact CD2-CE2 4.18Å; L110-F140 HydrophobicContact CD2-CZ 3.63Å; L110-F140 HydrophobicContact CG-CE1 4.15Å; L110-F140 HydrophobicContact CG-CZ 3.61Å; V111-F140 HydrophobicContact CG1-CE2 3.53Å; V111-F140 HydrophobicContact CG1-CZ 3.86Å; L118-F140 HydrophobicContact CD2-CE1 4.49Å; L133-F140 HydrophobicContact CD1-CB 4.5Å; L133-F140 HydrophobicContact CD1-CD1 4.08Å; L133-F140 HydrophobicContact CD1-CD2 3.96Å; L133-F140 HydrophobicContact CD1-CE1 4.37Å; L133-F140 HydrophobicContact CD1-CE2 4.25Å; L133-F140 HydrophobicContact CD1-CG 3.91Å; L133-F140 HydrophobicContact CD1-CZ 4.48Å; L133-F140 HydrophobicContact CD2-CD1 4.06Å; L133-F140 HydrophobicContact CD2-CE1 4.42Å; L133-F140 HydrophobicContact CG-CB 4.2Å; L133-F140 HydrophobicContact CG-CD1 3.95Å; L133-F140 HydrophobicContact CG-CG 3.97Å; L133-F140 WeakPolarHBondContact O-CB 3.25Å; T136-F140 WeakPolarHBondContact OG1-CD2 3.34Å; S137-F140 PolarHBondContact O-N 3.08Å; S137-F140 VanDerWaalsContact OG-CD2 3.28Å; S137-F140 WeakPolarHBondContact OG-CD2 3.43Å; S137-F140 PolarHBondContact OG-N 2.94Å; F140-E142 VanDerWaalsContact C-N 3.32Å; F140-E142 PolarHBondContact O-N 3.4Å; F140-I143 PolarHBondContact O-N 3.23Å; F140-C144 WeakPolarHBondContact O-CB 3.34Å; F140-C144 PolarHBondContact O-N 3.25Å; F140-C144 PolarHBondContact O-SG 2.88Å
141H95.5Very high93.3Very high102 Ų10259.5 Ų59.547%0.47231%0.311SS..Hα-helixtrans-59.2-44.2174-171.680.1000111.6G134 S137 K138 Y139 N145G134-H141 WeakPolarHBondContact O-CA 3.34Å; G134-H141 WeakPolarHBondContact O-CB 3.23Å; G134-H141 PolarHBondContact O-ND1 3.39Å; G134-H141 VanDerWaalsContact O-ND1 3.15Å; S137-H141 VanDerWaalsContact O-CB 3.3Å; S137-H141 WeakPolarHBondContact O-CB 3.46Å; S137-H141 PolarHBondContact O-N 3.42Å; K138-H141 WeakPolarHBondContact O-CB 3.45Å; K138-H141 PolarHBondContact O-N 2.77Å; Y139-H141 VanDerWaalsContact C-N 3.29Å; Y139-H141 PolarHBondContact O-N 3.18Å; H141-N145 PolarHBondContact CE1-ND2 3.43Å; H141-N145 VanDerWaalsContact CE1-ND2 3.28Å; H141-N145 PolarHBondContact ND1-ND2 3.1Å; H141-N145 VanDerWaalsContact O-CB 3.28Å; H141-N145 WeakPolarHBondContact O-CB 3.43Å; H141-N145 PolarHBondContact O-N 2.98Å; H141-N145 PolarHBondContact O-ND2 3.1Å
142E94.4Very high93.3Very high140 Ų14060.6 Ų60.665%0.65432%0.315SS*.Hα-helixtrans-65.3-47178.3-71.6171-17000111.5K138 Y139 F140 N145 S146K138-E142 PolarHBondContact O-N 3.43Å; Y139-E142 PolarHBondContact O-N 2.83Å; F140-E142 VanDerWaalsContact C-N 3.32Å; F140-E142 PolarHBondContact O-N 3.4Å; E142-N145 PolarHBondContact O-N 3.16Å; E142-S146 PolarHBondContact O-N 3.29Å; E142-S146 VanDerWaalsContact O-N 3.13Å
143I93.2Very high93Very high15 Ų1557.2 Ų57.28%0.07730%0.297CS..Hα-helixtrans-66.3-50.2-178.8-59.4172.7000111.1L118 V119 I122 Y139 F140 N145 S146 L149L118-I143 HydrophobicContact CD1-CD1 4.38Å; V119-I143 HydrophobicContact CG2-CG2 4.01Å; I122-I143 HydrophobicContact CD1-CB 4.33Å; I122-I143 HydrophobicContact CD1-CG2 3.49Å; I122-I143 VanDerWaalsContact CD1-CG2 3.49Å; Y139-I143 HydrophobicContact CD1-CD1 4.28Å; Y139-I143 HydrophobicContact CD2-CD1 4.31Å; Y139-I143 HydrophobicContact CE1-CD1 3.76Å; Y139-I143 HydrophobicContact CE2-CD1 3.77Å; Y139-I143 VanDerWaalsContact CZ-CD1 3.48Å; Y139-I143 PolarHBondContact O-N 3.16Å; F140-I143 PolarHBondContact O-N 3.23Å; I143-N145 PolarHBondContact O-N 3.28Å; I143-S146 WeakPolarHBondContact O-CB 3.39Å; I143-S146 PolarHBondContact O-N 3.3Å; I143-S146 VanDerWaalsContact O-N 3.12Å; I143-S146 PolarHBondContact O-OG 2.85Å; I143-L149 WeakPolarHBondContact O-CD2 3.45Å
144C93.9Very high92.7Very high2 Ų257.2 Ų57.21%0.01430%0.295CS..Hα-helixtrans-71.9-7.2-177.1-59.60000113.4V130 F140 W150V130-C144 HydrophobicContact CG1-CB 4.06Å; F140-C144 WeakPolarHBondContact O-CB 3.34Å; F140-C144 PolarHBondContact O-N 3.25Å; F140-C144 PolarHBondContact O-SG 2.88Å; C144-W150 PolarHBondContact O-NE1 3.29Å
145N92.5Very high92.5Very high58 Ų5858 Ų5831%0.3130%0.299SS..THydrogen-bonded Turntrans-114.88.3172.5-66.9-69.2000113H141 E142 I143 D147 K176H141-N145 PolarHBondContact CE1-ND2 3.43Å; H141-N145 VanDerWaalsContact CE1-ND2 3.28Å; H141-N145 PolarHBondContact ND1-ND2 3.1Å; H141-N145 VanDerWaalsContact O-CB 3.28Å; H141-N145 WeakPolarHBondContact O-CB 3.43Å; H141-N145 PolarHBondContact O-N 2.98Å; H141-N145 PolarHBondContact O-ND2 3.1Å; E142-N145 PolarHBondContact O-N 3.16Å; I143-N145 PolarHBondContact O-N 3.28Å; N145-D147 PolarHBondContact O-N 3.43Å; N145-K176 PolarHBondContact OD1-NZ 2.93Å
146S92.7Very high92.1Very high29 Ų2956.9 Ų56.920%0.20329%0.289CS..  trans-65.7133.217764.70000111.4E142 I143 S148 L149 W150E142-S146 PolarHBondContact O-N 3.29Å; E142-S146 VanDerWaalsContact O-N 3.13Å; I143-S146 WeakPolarHBondContact O-CB 3.39Å; I143-S146 PolarHBondContact O-N 3.3Å; I143-S146 VanDerWaalsContact O-N 3.12Å; I143-S146 PolarHBondContact O-OG 2.85Å; S146-S148 PolarHBondContact O-N 2.89Å; S146-L149 PolarHBondContact O-N 2.74Å; S146-L149 WeakPolarHBondContact OG-CB 3.28Å; S146-W150 VanDerWaalsContact O-CD1 3.23Å; S146-W150 PolarHBondContact O-N 2.71Å
147D92.7Very high91.6Very high77 Ų7756.5 Ų56.541%0.41229%0.287SS..Hα-helixtrans-63.7-33.4-175.9-163.660.7000111.7N145 W150 R151 G174 W175N145-D147 PolarHBondContact O-N 3.43Å; D147-W150 PolarHBondContact O-N 3.23Å; D147-R151 PolarHBondContact O-N 2.95Å; D147-G174 WeakPolarHBondContact OD1-CA 3.32Å; D147-W175 VanDerWaalsContact O-CD1 3.25Å; D147-W175 VanDerWaalsContact OD1-CD1 3.3Å; D147-W175 PolarHBondContact OD1-N 2.91Å; D147-W175 PolarHBondContact OD2-NE1 2.88Å
148S91.8Very high91.2Very high81 Ų8157.3 Ų57.357%0.56629%0.29SS*.Hα-helixtrans-62.1-45.4174.451.30000113S146 W150 R151 E152S146-S148 PolarHBondContact O-N 2.89Å; S148-W150 VanDerWaalsContact C-N 3.35Å; S148-W150 PolarHBondContact O-N 3.44Å; S148-R151 WeakPolarHBondContact O-CB 3.43Å; S148-R151 PolarHBondContact O-N 3.14Å; S148-E152 PolarHBondContact O-N 3.48Å
149L92Very high90.5Very high3 Ų355.8 Ų55.82%0.01629%0.289CS..Hα-helixtrans-60.7-46.5176.6174.969000110.6V119 I122 F123 V130 I143 S146 R151 E152 I153V119-L149 HydrophobicContact CG1-CD1 4.2Å; I122-L149 HydrophobicContact CG2-CD1 4.24Å; I122-L149 HydrophobicContact CG2-CD2 3.66Å; F123-L149 HydrophobicContact CB-CD1 4.33Å; V130-L149 HydrophobicContact CG1-CD2 4.49Å; I143-L149 WeakPolarHBondContact O-CD2 3.45Å; S146-L149 PolarHBondContact O-N 2.74Å; S146-L149 WeakPolarHBondContact OG-CB 3.28Å; L149-R151 VanDerWaalsContact C-N 3.3Å; L149-R151 PolarHBondContact O-N 2.99Å; L149-E152 PolarHBondContact O-N 3.27Å; L149-I153 HydrophobicContact CD1-CD1 4.18Å; L149-I153 HydrophobicContact CD1-CG1 4.49Å; L149-I153 HydrophobicContact CD2-CD1 4.44Å; L149-I153 HydrophobicContact CG-CD1 3.87Å; L149-I153 WeakPolarHBondContact O-CG1 3.42Å; L149-I153 PolarHBondContact O-N 2.97Å
150W92.1Very high90Very high1 Ų155.8 Ų55.80%0.00430%0.299CS..Hα-helixtrans-68.2-28.9-179.5-74.2102000113.2L127 V130 I131 C144 S146 D147 S148 I153 Y154 W175 K176 L179 F180L127-W150 HydrophobicContact CD2-CH2 4.48Å; L127-W150 HydrophobicContact CD2-CZ3 4Å; V130-W150 HydrophobicContact CG1-CH2 4.38Å; V130-W150 HydrophobicContact CG1-CZ2 4.04Å; I131-W150 HydrophobicContact CG1-CH2 4.43Å; C144-W150 PolarHBondContact O-NE1 3.29Å; S146-W150 VanDerWaalsContact O-CD1 3.23Å; S146-W150 PolarHBondContact O-N 2.71Å; D147-W150 PolarHBondContact O-N 3.23Å; S148-W150 VanDerWaalsContact C-N 3.35Å; S148-W150 PolarHBondContact O-N 3.44Å; W150-I153 HydrophobicContact CD2-CD1 4.34Å; W150-I153 HydrophobicContact CE3-CB 4.45Å; W150-I153 HydrophobicContact CE3-CD1 4.08Å; W150-I153 HydrophobicContact CE3-CG2 4.21Å; W150-I153 HydrophobicContact CZ3-CD1 4.27Å; W150-I153 HydrophobicContact CZ3-CG2 4.32Å; W150-Y154 WeakPolarHBondContact O-CB 3.42Å; W150-Y154 PolarHBondContact O-N 2.76Å; W150-W175 HydrophobicContact CB-CB 3.57Å; W150-K176 HydrophobicContact CB-CB 4.29Å; W150-K176 HydrophobicContact CD2-CB 3.71Å; W150-K176 HydrophobicContact CD2-CD 4.24Å; W150-K176 HydrophobicContact CD2-CG 3.77Å; W150-K176 HydrophobicContact CE3-CB 4.28Å; W150-K176 HydrophobicContact CE3-CG 4.14Å; W150-K176 HydrophobicContact CG-CB 3.67Å; W150-K176 HydrophobicContact CG-CG 4.24Å; W150-K176 HydrophobicContact CH2-CG 4.29Å; W150-K176 HydrophobicContact CZ2-CD 3.77Å; W150-K176 HydrophobicContact CZ2-CG 3.93Å; W150-K176 HydrophobicContact CZ3-CG 4.37Å; W150-L179 HydrophobicContact CE3-CD2 3.89Å; W150-L179 HydrophobicContact CZ3-CD2 3.68Å; W150-F180 HydrophobicContact CH2-CE2 4.06Å; W150-F180 HydrophobicContact CH2-CZ 4.42Å; W150-F180 AromaticContact CZ3-CE2 3.97Å; W150-F180 HydrophobicContact CZ3-CE2 3.97Å; W150-F180 HydrophobicContact CZ3-CZ 4.4Å
151R91.6Very high89.6Confident65 Ų6562 Ų6225%0.24533%0.329CS..Hα-helixtrans-60.4-50.5170-173.8-178.4-178.9-76.5-4.9111.1D147 S148 L149 I153 Y154 V155 E167 W175D147-R151 PolarHBondContact O-N 2.95Å; S148-R151 WeakPolarHBondContact O-CB 3.43Å; S148-R151 PolarHBondContact O-N 3.14Å; L149-R151 VanDerWaalsContact C-N 3.3Å; L149-R151 PolarHBondContact O-N 2.99Å; R151-I153 VanDerWaalsContact C-N 3.34Å; R151-I153 PolarHBondContact O-N 3.3Å; R151-Y154 WeakPolarHBondContact O-CB 3.28Å; R151-Y154 PolarHBondContact O-N 3.13Å; R151-V155 WeakPolarHBondContact O-CG2 3.21Å; R151-V155 PolarHBondContact O-N 3.2Å; R151-E167 IonicContact NH2-OE1 3.94Å; R151-W175 HydrophobicContact CB-CD2 3.98Å; R151-W175 HydrophobicContact CB-CG 3.85Å; R151-W175 HydrophobicContact CG-CD2 4.07Å; R151-W175 HydrophobicContact CG-CG 4.46Å; R151-W175 HydrophobicContact CG-CZ2 3.89Å
152E90.4Very high89.1Confident86 Ų8658 Ų5840%0.40231%0.311SS..Hα-helixtrans-64.7-41.8-179.7-64.4-51.5128.900111F123 S148 L149 Y154 V155 N156F123-E152 HydrophobicContact CD2-CB 4.07Å; F123-E152 HydrophobicContact CE2-CB 3.72Å; S148-E152 PolarHBondContact O-N 3.48Å; L149-E152 PolarHBondContact O-N 3.27Å; E152-Y154 VanDerWaalsContact C-N 3.29Å; E152-Y154 PolarHBondContact O-N 3.06Å; E152-V155 PolarHBondContact O-N 3.28Å; E152-N156 WeakPolarHBondContact O-CB 3.34Å; E152-N156 PolarHBondContact O-N 2.57Å
153I89.9Confident88.7Confident9 Ų954.3 Ų54.35%0.04630%0.301CS..Hα-helixtrans-58.1-42.7173.8-70171.5000111F123 L127 L149 W150 R151 N156 T157 L179F123-I153 HydrophobicContact CD2-CG1 4.13Å; F123-I153 HydrophobicContact CE2-CG1 4.47Å; L127-I153 HydrophobicContact CD2-CG2 3.51Å; L149-I153 HydrophobicContact CD1-CD1 4.18Å; L149-I153 HydrophobicContact CD1-CG1 4.49Å; L149-I153 HydrophobicContact CD2-CD1 4.44Å; L149-I153 HydrophobicContact CG-CD1 3.87Å; L149-I153 WeakPolarHBondContact O-CG1 3.42Å; L149-I153 PolarHBondContact O-N 2.97Å; W150-I153 HydrophobicContact CD2-CD1 4.34Å; W150-I153 HydrophobicContact CE3-CB 4.45Å; W150-I153 HydrophobicContact CE3-CD1 4.08Å; W150-I153 HydrophobicContact CE3-CG2 4.21Å; W150-I153 HydrophobicContact CZ3-CD1 4.27Å; W150-I153 HydrophobicContact CZ3-CG2 4.32Å; R151-I153 VanDerWaalsContact C-N 3.34Å; R151-I153 PolarHBondContact O-N 3.3Å; I153-N156 PolarHBondContact O-N 3.46Å; I153-T157 VanDerWaalsContact O-CB 3.3Å; I153-T157 WeakPolarHBondContact O-CB 3.45Å; I153-T157 PolarHBondContact O-N 2.78Å; I153-T157 PolarHBondContact O-OG1 3.18Å; I153-L179 HydrophobicContact CG2-CD2 3.84Å
154Y88Confident88.4Confident30 Ų3061.6 Ų61.612%0.11833%0.328CS..Hα-helixtrans-62-46.1177.4177.2-85.7000112W150 R151 E152 T157 T158 P162 V166 W175 L179W150-Y154 WeakPolarHBondContact O-CB 3.42Å; W150-Y154 PolarHBondContact O-N 2.76Å; R151-Y154 WeakPolarHBondContact O-CB 3.28Å; R151-Y154 PolarHBondContact O-N 3.13Å; E152-Y154 VanDerWaalsContact C-N 3.29Å; E152-Y154 PolarHBondContact O-N 3.06Å; Y154-T157 PolarHBondContact O-N 2.87Å; Y154-T158 WeakPolarHBondContact O-CB 3.37Å; Y154-T158 PolarHBondContact O-N 3.35Å; Y154-T158 PolarHBondContact O-OG1 3.14Å; Y154-P162 HydrophobicContact CE1-CB 4.28Å; Y154-V166 HydrophobicContact CE1-CG1 4.37Å; Y154-W175 HydrophobicContact CD1-CE3 4.1Å; Y154-W175 AromaticContact CD1-CZ3 3.75Å; Y154-W175 HydrophobicContact CD1-CZ3 3.75Å; Y154-W175 HydrophobicContact CD2-CE3 4.33Å; Y154-W175 HydrophobicContact CE1-CZ3 4.07Å; Y154-W175 AromaticContact CG-CE3 3.89Å; Y154-W175 HydrophobicContact CG-CE3 3.89Å; Y154-W175 HydrophobicContact CG-CZ3 4.02Å; Y154-L179 HydrophobicContact CD2-CD1 4.01Å
155V89Confident88Confident20 Ų2063.4 Ų63.412%0.12134%0.34CS..Hα-helixtrans-61.3-45.8177.7173.50000110.5R151 E152 T157 L159R151-V155 WeakPolarHBondContact O-CG2 3.21Å; R151-V155 PolarHBondContact O-N 3.2Å; E152-V155 PolarHBondContact O-N 3.28Å; V155-T157 PolarHBondContact O-N 3.43Å; V155-L159 WeakPolarHBondContact O-CA 3.35Å; V155-L159 PolarHBondContact O-N 3.28Å
156N87Confident87.6Confident87 Ų8761.7 Ų61.747%0.46533%0.331SS..Hα-helixtrans-65.2-39.5179.5-168.538.3000112.3F123 E152 I153 L159F123-N156 HydrophobicContact CE2-CB 4.02Å; F123-N156 HydrophobicContact CZ-CB 3.7Å; E152-N156 WeakPolarHBondContact O-CB 3.34Å; E152-N156 PolarHBondContact O-N 2.57Å; I153-N156 PolarHBondContact O-N 3.46Å; N156-L159 VanDerWaalsContact O-CD2 3.25Å; N156-L159 WeakPolarHBondContact O-CD2 3.42Å
157T83.6Confident87.4Confident84 Ų8463.4 Ų63.452%0.51534%0.336SS..Hα-helixtrans-72.3-39.9179.8-55.40000112I153 Y154 V155 L179I153-T157 VanDerWaalsContact O-CB 3.3Å; I153-T157 WeakPolarHBondContact O-CB 3.45Å; I153-T157 PolarHBondContact O-N 2.78Å; I153-T157 PolarHBondContact O-OG1 3.18Å; Y154-T157 PolarHBondContact O-N 2.87Å; V155-T157 PolarHBondContact O-N 3.43Å; T157-L179 HydrophobicContact CG2-CD1 4.29Å
158T82.3Confident87.2Confident60 Ų6061.8 Ų61.837%0.36833%0.326SS..Hα-helixtrans-85.2-16.1-177.4-46.60000112.1Y154 S160Y154-T158 WeakPolarHBondContact O-CB 3.37Å; Y154-T158 PolarHBondContact O-N 3.35Å; Y154-T158 PolarHBondContact O-OG1 3.14Å; T158-S160 PolarHBondContact O-N 2.71Å; T158-S160 VanDerWaalsContact O-N 3.1Å; T158-S160 PolarHBondContact O-OG 3.16Å
159L80.4Confident86.9Confident147 Ų14758 Ų5877%0.7730%0.3SS*.THydrogen-bonded Turntrans52.327.9-173-57.5173.7000112.7V155 N156V155-L159 WeakPolarHBondContact O-CA 3.35Å; V155-L159 PolarHBondContact O-N 3.28Å; N156-L159 VanDerWaalsContact O-CD2 3.25Å; N156-L159 WeakPolarHBondContact O-CD2 3.42Å
160S81.7Confident86.7Confident68 Ų6858 Ų5848%0.47630%0.3SS..SBendtrans-146141.4-175.6-63.80000109.9T158T158-S160 PolarHBondContact O-N 2.71Å; T158-S160 VanDerWaalsContact O-N 3.1Å; T158-S160 PolarHBondContact O-OG 3.16Å
161Q86.7Confident86.6Confident139 Ų13966 Ų6665%0.6534%0.335SS*.PPolyproline II helixtrans-67.7138.8173.6-68.5-61.6-3600110.2S163Q161-S163 PolarHBondContact O-N 3.26Å
162P84.7Confident86.3Confident16 Ų1668.3 Ų68.310%0.10435%0.351CS..PPolyproline II helixtrans-64.7136.5178.727.7-34.1000110.1Y154 V166 E167 W175Y154-P162 HydrophobicContact CE1-CB 4.28Å; P162-V166 HydrophobicContact CB-CB 4.37Å; P162-V166 HydrophobicContact CB-CG1 4.11Å; P162-E167 HydrophobicContact CB-CG 3.97Å; P162-E167 HydrophobicContact CG-CG 3.97Å; P162-W175 HydrophobicContact CB-CH2 3.52Å; P162-W175 HydrophobicContact CB-CZ3 3.99Å; P162-W175 HydrophobicContact CG-CH2 3.75Å; P162-W175 HydrophobicContact CG-CZ2 4.47Å; P162-W175 HydrophobicContact CG-CZ3 4.45Å
163S86.9Confident86.1Confident64 Ų6468.4 Ų68.445%0.44835%0.35SS..PPolyproline II helixtrans-74.6158.3171.661.60000110.5Q161 P165 V166 E167Q161-S163 PolarHBondContact O-N 3.26Å; S163-P165 VanDerWaalsContact C-N 3.34Å; S163-V166 WeakPolarHBondContact O-CA 3.25Å; S163-V166 WeakPolarHBondContact O-CB 3.41Å; S163-V166 PolarHBondContact O-N 3.36Å; S163-V166 WeakPolarHBondContact OG-CG2 3.22Å; S163-E167 PolarHBondContact O-N 2.85Å
164R87.1Confident86.1Confident167 Ų16768.9 Ų68.963%0.6336%0.357SS*.Hα-helixtrans-49.1-46178.9172.4178.7171-169.9-9.1113.8V166 E167 E168 E197R164-V166 VanDerWaalsContact C-N 3.28Å; R164-V166 PolarHBondContact O-N 3.32Å; R164-E167 PolarHBondContact O-N 3.11Å; R164-E167 VanDerWaalsContact O-N 3.15Å; R164-E168 WeakPolarHBondContact CG-OE1 3.21Å; R164-E168 IonicContact CZ-OE1 3.63Å; R164-E168 IonicContact NE-OE1 2.88Å; R164-E168 PolarHBondContact NE-OE1 3.23Å; R164-E168 IonicContact NH2-OE1 3.45Å; R164-E168 PolarHBondContact NH2-OE1 3.3Å; R164-E168 PolarHBondContact O-N 2.91Å; R164-E197 IonicContact NH2-OE1 2.71Å; R164-E197 PolarHBondContact NH2-OE1 2.78Å
165P84.8Confident86.3Confident41 Ų4168 Ų6827%0.26635%0.354SS..Hα-helixtrans-63.5-31.8177.1-26.637.9000113.9S163 L169 L190S163-P165 VanDerWaalsContact C-N 3.34Å; P165-L169 WeakPolarHBondContact O-CG 3.46Å; P165-L169 PolarHBondContact O-N 3.19Å; P165-L190 HydrophobicContact CB-CD2 3.37Å
166V84.3Confident86.3Confident21 Ų2170 Ų7013%0.12736%0.36CS..Hα-helixtrans-71.3-39175.4175.40000110.4Y154 P162 S163 R164 E168 L169 A170 W175 L178 L190Y154-V166 HydrophobicContact CE1-CG1 4.37Å; P162-V166 HydrophobicContact CB-CB 4.37Å; P162-V166 HydrophobicContact CB-CG1 4.11Å; S163-V166 WeakPolarHBondContact O-CA 3.25Å; S163-V166 WeakPolarHBondContact O-CB 3.41Å; S163-V166 PolarHBondContact O-N 3.36Å; S163-V166 WeakPolarHBondContact OG-CG2 3.22Å; R164-V166 VanDerWaalsContact C-N 3.28Å; R164-V166 PolarHBondContact O-N 3.32Å; V166-E168 VanDerWaalsContact C-N 3.32Å; V166-E168 PolarHBondContact O-N 3.24Å; V166-L169 PolarHBondContact O-N 3.25Å; V166-A170 WeakPolarHBondContact O-CB 3.25Å; V166-A170 PolarHBondContact O-N 3.04Å; V166-W175 HydrophobicContact CG1-CH2 4.25Å; V166-W175 HydrophobicContact CG1-CZ3 3.95Å; V166-L178 HydrophobicContact CG1-CD1 4.33Å; V166-L190 HydrophobicContact CG2-CD1 4.46Å; V166-L190 HydrophobicContact CG2-CD2 4.47Å
167E88.8Confident86.3Confident65 Ų6572.2 Ų72.230%0.30437%0.366SS..Hα-helixtrans-64.7-35.8174.2-64.8-166.215400112.4R151 P162 S163 R164 A170 K171 W175R151-E167 IonicContact NH2-OE1 3.94Å; P162-E167 HydrophobicContact CB-CG 3.97Å; P162-E167 HydrophobicContact CG-CG 3.97Å; S163-E167 PolarHBondContact O-N 2.85Å; R164-E167 PolarHBondContact O-N 3.11Å; R164-E167 VanDerWaalsContact O-N 3.15Å; E167-A170 WeakPolarHBondContact O-CB 3.38Å; E167-A170 PolarHBondContact O-N 3.23Å; E167-K171 WeakPolarHBondContact O-CG 3.2Å; E167-K171 PolarHBondContact O-N 2.68Å; E167-W175 HydrophobicContact CG-CH2 4.13Å; E167-W175 HydrophobicContact CG-CZ2 4.24Å
168E87.5Confident86.3Confident43 Ų4368.4 Ų68.420%0.20134%0.342CS..Hα-helixtrans-66.6-43.9174.2-73.6164.5-172.800111.6R164 V166 A170 K171 L172 L193R164-E168 WeakPolarHBondContact CG-OE1 3.21Å; R164-E168 IonicContact CZ-OE1 3.63Å; R164-E168 IonicContact NE-OE1 2.88Å; R164-E168 PolarHBondContact NE-OE1 3.23Å; R164-E168 IonicContact NH2-OE1 3.45Å; R164-E168 PolarHBondContact NH2-OE1 3.3Å; R164-E168 PolarHBondContact O-N 2.91Å; V166-E168 VanDerWaalsContact C-N 3.32Å; V166-E168 PolarHBondContact O-N 3.24Å; E168-A170 VanDerWaalsContact C-N 3.25Å; E168-A170 PolarHBondContact O-N 3.47Å; E168-K171 PolarHBondContact O-N 2.84Å; E168-L172 WeakPolarHBondContact O-CG 3.16Å; E168-L172 PolarHBondContact O-N 3.4Å; E168-L193 HydrophobicContact CB-CD1 4.39Å
169L85.1Confident86.3Confident3 Ų367.1 Ų67.12%0.01633%0.333CS..Hα-helixtrans-60.7-36.3170.3-74.7179.1000112.3P165 V166 L172 F173 L178 Q189 L190 L193P165-L169 WeakPolarHBondContact O-CG 3.46Å; P165-L169 PolarHBondContact O-N 3.19Å; V166-L169 PolarHBondContact O-N 3.25Å; L169-L172 PolarHBondContact O-N 2.96Å; L169-F173 HydrophobicContact CD2-CD2 4.14Å; L169-F173 HydrophobicContact CD2-CE2 3.85Å; L169-F173 WeakPolarHBondContact O-CD2 3.31Å; L169-F173 PolarHBondContact O-N 3.05Å; L169-L178 HydrophobicContact CB-CD1 4.26Å; L169-L178 HydrophobicContact CB-CD2 3.91Å; L169-Q189 HydrophobicContact CD1-CB 4.1Å; L169-Q189 HydrophobicContact CD2-CB 3.77Å; L169-L190 HydrophobicContact CD1-CD2 3.36Å; L169-L190 HydrophobicContact CD1-CG 3.55Å; L169-L190 HydrophobicContact CG-CD2 4.03Å; L169-L193 HydrophobicContact CD2-CD1 3.37Å; L169-L193 HydrophobicContact CD2-CG 4.09Å; L169-L193 HydrophobicContact CG-CD1 3.65Å
170A89.1Confident86.4Confident2 Ų265.8 Ų65.82%0.01732%0.321CS..Hα-helixtrans-67.7-40.218000000111.1V166 E167 E168 L172 G174 W175 L178V166-A170 WeakPolarHBondContact O-CB 3.25Å; V166-A170 PolarHBondContact O-N 3.04Å; E167-A170 WeakPolarHBondContact O-CB 3.38Å; E167-A170 PolarHBondContact O-N 3.23Å; E168-A170 VanDerWaalsContact C-N 3.25Å; E168-A170 PolarHBondContact O-N 3.47Å; A170-L172 PolarHBondContact O-N 3.4Å; A170-G174 WeakPolarHBondContact O-CA 3.25Å; A170-G174 PolarHBondContact O-N 3.37Å; A170-W175 HydrophobicContact CB-CD2 3.54Å; A170-W175 HydrophobicContact CB-CE3 3.87Å; A170-W175 HydrophobicContact CB-CG 4.15Å; A170-W175 HydrophobicContact CB-CH2 3.69Å; A170-W175 HydrophobicContact CB-CZ2 3.38Å; A170-W175 HydrophobicContact CB-CZ3 3.93Å; A170-L178 HydrophobicContact CB-CD1 3.47Å; A170-L178 VanDerWaalsContact CB-CD1 3.47Å
171K89Confident86.2Confident170 Ų17064.1 Ų64.174%0.73931%0.309SS*.Hα-helixtrans-61.2-33.4173.5-72.6172.4-176.7174.20112.5E167 E168E167-K171 WeakPolarHBondContact O-CG 3.2Å; E167-K171 PolarHBondContact O-N 2.68Å; E168-K171 PolarHBondContact O-N 2.84Å
172L86.7Confident85Confident113 Ų11361 Ų6159%0.59230%0.302SS*.Hα-helixtrans-79.9-41.9-179.9-70.2170.3000113.3E168 L169 A170 L193E168-L172 WeakPolarHBondContact O-CG 3.16Å; E168-L172 PolarHBondContact O-N 3.4Å; L169-L172 PolarHBondContact O-N 2.96Å; A170-L172 PolarHBondContact O-N 3.4Å; L172-L193 HydrophobicContact CD1-CD1 4.31Å; L172-L193 HydrophobicContact CD1-CD2 3.98Å
173F86.3Confident84Confident88 Ų8868 Ų6839%0.38633%0.331SS..Hα-helixtrans-113-18.2-170-62.3-69.8000114.8L169 K177L169-F173 HydrophobicContact CD2-CD2 4.14Å; L169-F173 HydrophobicContact CD2-CE2 3.85Å; L169-F173 WeakPolarHBondContact O-CD2 3.31Å; L169-F173 PolarHBondContact O-N 3.05Å; F173-K177 HydrophobicContact CB-CB 4.43Å; F173-K177 VanDerWaalsContact O-CD 3.28Å; F173-K177 WeakPolarHBondContact O-CD 3.34Å; F173-K177 WeakPolarHBondContact O-CG 3.35Å
174G89.1Confident82Confident18 Ų1870.5 Ų70.519%0.18634%0.339CS..  trans86.5144.5-172.100000113D147 A170 K176 K177 L178D147-G174 WeakPolarHBondContact OD1-CA 3.32Å; A170-G174 WeakPolarHBondContact O-CA 3.25Å; A170-G174 PolarHBondContact O-N 3.37Å; G174-K176 VanDerWaalsContact C-N 3.26Å; G174-K176 PolarHBondContact O-N 2.87Å; G174-K177 PolarHBondContact O-N 2.94Å; G174-K177 VanDerWaalsContact O-N 3.13Å; G174-L178 PolarHBondContact O-N 3.47Å
175W91.4Very high81.2Confident12 Ų1267 Ų675%0.04533%0.329CS..Hα-helixtrans-59.3-36.9-178.2-72.1106000113D147 W150 R151 Y154 P162 V166 E167 A170 K177 L178 L179D147-W175 VanDerWaalsContact O-CD1 3.25Å; D147-W175 VanDerWaalsContact OD1-CD1 3.3Å; D147-W175 PolarHBondContact OD1-N 2.91Å; D147-W175 PolarHBondContact OD2-NE1 2.88Å; W150-W175 HydrophobicContact CB-CB 3.57Å; R151-W175 HydrophobicContact CB-CD2 3.98Å; R151-W175 HydrophobicContact CB-CG 3.85Å; R151-W175 HydrophobicContact CG-CD2 4.07Å; R151-W175 HydrophobicContact CG-CG 4.46Å; R151-W175 HydrophobicContact CG-CZ2 3.89Å; Y154-W175 HydrophobicContact CD1-CE3 4.1Å; Y154-W175 AromaticContact CD1-CZ3 3.75Å; Y154-W175 HydrophobicContact CD1-CZ3 3.75Å; Y154-W175 HydrophobicContact CD2-CE3 4.33Å; Y154-W175 HydrophobicContact CE1-CZ3 4.07Å; Y154-W175 AromaticContact CG-CE3 3.89Å; Y154-W175 HydrophobicContact CG-CE3 3.89Å; Y154-W175 HydrophobicContact CG-CZ3 4.02Å; P162-W175 HydrophobicContact CB-CH2 3.52Å; P162-W175 HydrophobicContact CB-CZ3 3.99Å; P162-W175 HydrophobicContact CG-CH2 3.75Å; P162-W175 HydrophobicContact CG-CZ2 4.47Å; P162-W175 HydrophobicContact CG-CZ3 4.45Å; V166-W175 HydrophobicContact CG1-CH2 4.25Å; V166-W175 HydrophobicContact CG1-CZ3 3.95Å; E167-W175 HydrophobicContact CG-CH2 4.13Å; E167-W175 HydrophobicContact CG-CZ2 4.24Å; A170-W175 HydrophobicContact CB-CD2 3.54Å; A170-W175 HydrophobicContact CB-CE3 3.87Å; A170-W175 HydrophobicContact CB-CG 4.15Å; A170-W175 HydrophobicContact CB-CH2 3.69Å; A170-W175 HydrophobicContact CB-CZ2 3.38Å; A170-W175 HydrophobicContact CB-CZ3 3.93Å; W175-K177 VanDerWaalsContact C-N 3.33Å; W175-K177 PolarHBondContact O-N 3.14Å; W175-L178 HydrophobicContact CE3-CD1 4.15Å; W175-L178 HydrophobicContact CZ3-CD1 4.29Å; W175-L178 PolarHBondContact O-N 2.99Å; W175-L179 PolarHBondContact O-N 3.21Å
176K89.7Confident80.2Confident61 Ų6166.4 Ų66.427%0.26532%0.324SS..Hα-helixtrans-56.1-47.9176.9-173.1172.9-176.2161.30111.2N145 W150 G174 L179 F180N145-K176 PolarHBondContact OD1-NZ 2.93Å; W150-K176 HydrophobicContact CB-CB 4.29Å; W150-K176 HydrophobicContact CD2-CB 3.71Å; W150-K176 HydrophobicContact CD2-CD 4.24Å; W150-K176 HydrophobicContact CD2-CG 3.77Å; W150-K176 HydrophobicContact CE3-CB 4.28Å; W150-K176 HydrophobicContact CE3-CG 4.14Å; W150-K176 HydrophobicContact CG-CB 3.67Å; W150-K176 HydrophobicContact CG-CG 4.24Å; W150-K176 HydrophobicContact CH2-CG 4.29Å; W150-K176 HydrophobicContact CZ2-CD 3.77Å; W150-K176 HydrophobicContact CZ2-CG 3.93Å; W150-K176 HydrophobicContact CZ3-CG 4.37Å; G174-K176 VanDerWaalsContact C-N 3.26Å; G174-K176 PolarHBondContact O-N 2.87Å; K176-L179 PolarHBondContact O-N 2.96Å; K176-F180 HydrophobicContact CG-CD2 4.32Å; K176-F180 HydrophobicContact CG-CE2 4.22Å; K176-F180 WeakPolarHBondContact O-CD2 3.42Å; K176-F180 PolarHBondContact O-N 3.03Å
177K86.9Confident79.6Confident135 Ų13570.1 Ų70.159%0.58734%0.34SS*.Hα-helixtrans-66.8-40.6179.7-68.5-168.3-169.4164.50111.3F173 G174 W175 L179 F180 T181F173-K177 HydrophobicContact CB-CB 4.43Å; F173-K177 VanDerWaalsContact O-CD 3.28Å; F173-K177 WeakPolarHBondContact O-CD 3.34Å; F173-K177 WeakPolarHBondContact O-CG 3.35Å; G174-K177 PolarHBondContact O-N 2.94Å; G174-K177 VanDerWaalsContact O-N 3.13Å; W175-K177 VanDerWaalsContact C-N 3.33Å; W175-K177 PolarHBondContact O-N 3.14Å; K177-L179 VanDerWaalsContact C-N 3.32Å; K177-L179 PolarHBondContact O-N 3.04Å; K177-F180 CarbonylContact O-C 3.5Å; K177-F180 PolarHBondContact O-N 3.11Å; K177-T181 WeakPolarHBondContact O-CB 3.47Å; K177-T181 PolarHBondContact O-N 3.4Å; K177-T181 PolarHBondContact O-OG1 2.84Å
178L84.6Confident78.7Confident3 Ų370.8 Ų70.82%0.01634%0.344CS..Hα-helixtrans-61-40.1179-68.1-176.9000112.8V166 L169 A170 G174 W175 F180 T181 L186V166-L178 HydrophobicContact CG1-CD1 4.33Å; L169-L178 HydrophobicContact CB-CD1 4.26Å; L169-L178 HydrophobicContact CB-CD2 3.91Å; A170-L178 HydrophobicContact CB-CD1 3.47Å; A170-L178 VanDerWaalsContact CB-CD1 3.47Å; G174-L178 PolarHBondContact O-N 3.47Å; W175-L178 HydrophobicContact CE3-CD1 4.15Å; W175-L178 HydrophobicContact CZ3-CD1 4.29Å; W175-L178 PolarHBondContact O-N 2.99Å; L178-F180 VanDerWaalsContact C-N 3.31Å; L178-F180 PolarHBondContact O-N 2.88Å; L178-T181 WeakPolarHBondContact O-CB 3.49Å; L178-T181 PolarHBondContact O-N 3.14Å; L178-T181 VanDerWaalsContact O-N 3.14Å; L178-L186 HydrophobicContact CB-CD2 4.41Å; L178-L186 HydrophobicContact CD2-CD2 3.4Å; L178-L186 VanDerWaalsContact CD2-CD2 3.4Å; L178-L186 HydrophobicContact CG-CD2 4.46Å
179L82.1Confident78.2Confident34 Ų3470 Ų7018%0.17834%0.341CS..Hα-helixtrans-61.4-40.2178.2-170.873000112.1L127 W150 I153 Y154 T157 W175 K176 K177 T181L127-L179 HydrophobicContact CD1-CD2 3.98Å; L127-L179 HydrophobicContact CD2-CD2 4.07Å; W150-L179 HydrophobicContact CE3-CD2 3.89Å; W150-L179 HydrophobicContact CZ3-CD2 3.68Å; I153-L179 HydrophobicContact CG2-CD2 3.84Å; Y154-L179 HydrophobicContact CD2-CD1 4.01Å; T157-L179 HydrophobicContact CG2-CD1 4.29Å; W175-L179 PolarHBondContact O-N 3.21Å; K176-L179 PolarHBondContact O-N 2.96Å; K177-L179 VanDerWaalsContact C-N 3.32Å; K177-L179 PolarHBondContact O-N 3.04Å; L179-T181 VanDerWaalsContact C-N 3.33Å
180F81.1Confident77.8Confident118 Ų11871.8 Ų71.852%0.51835%0.35SS..Hα-helixtrans-85.7-3.9177.9-67.8-70.8000113.7I131 W150 K176 K177 L178I131-F180 HydrophobicContact CD1-CE2 4.48Å; I131-F180 HydrophobicContact CD1-CZ 3.88Å; W150-F180 HydrophobicContact CH2-CE2 4.06Å; W150-F180 HydrophobicContact CH2-CZ 4.42Å; W150-F180 AromaticContact CZ3-CE2 3.97Å; W150-F180 HydrophobicContact CZ3-CE2 3.97Å; W150-F180 HydrophobicContact CZ3-CZ 4.4Å; K176-F180 HydrophobicContact CG-CD2 4.32Å; K176-F180 HydrophobicContact CG-CE2 4.22Å; K176-F180 WeakPolarHBondContact O-CD2 3.42Å; K176-F180 PolarHBondContact O-N 3.03Å; K177-F180 CarbonylContact O-C 3.5Å; K177-F180 PolarHBondContact O-N 3.11Å; L178-F180 VanDerWaalsContact C-N 3.31Å; L178-F180 PolarHBondContact O-N 2.88Å
181T77.3Confident77.3Confident34 Ų3480.6 Ų80.621%0.20938%0.383CS..SBendtrans-82.3132.8178.5-630000110K177 L178 L179 H185 L186K177-T181 WeakPolarHBondContact O-CB 3.47Å; K177-T181 PolarHBondContact O-N 3.4Å; K177-T181 PolarHBondContact O-OG1 2.84Å; L178-T181 WeakPolarHBondContact O-CB 3.49Å; L178-T181 PolarHBondContact O-N 3.14Å; L178-T181 VanDerWaalsContact O-N 3.14Å; L179-T181 VanDerWaalsContact C-N 3.33Å; T181-H185 HydrophobicContact CG2-CB 3.7Å; T181-H185 WeakPolarHBondContact CG2-CD2 3.35Å; T181-L186 HydrophobicContact CG2-CD2 3.69Å; T181-L186 HydrophobicContact CG2-CG 3.75Å
182S62.2Low76.8Confident74 Ų7480.1 Ų80.152%0.51738%0.376SS..  trans-59.4144.117775.60000111.6L184 H185 L186S182-L184 PolarHBondContact O-N 3.28Å; S182-L184 VanDerWaalsContact O-N 3.15Å; S182-H185 WeakPolarHBondContact O-CB 3.43Å; S182-H185 PolarHBondContact O-N 2.77Å; S182-H185 VanDerWaalsContact OG-CB 3.28Å; S182-H185 WeakPolarHBondContact OG-CB 3.47Å; S182-H185 PolarHBondContact OG-N 2.78Å; S182-L186 PolarHBondContact O-N 2.83Å
183K64.1Low76.2Confident161 Ų16176.1 Ų76.170%0.736%0.356SS*.Hα-helixtrans-52.8-37.8178.6-174.5176.4-179.9176.60113.1Q187K183-Q187 WeakPolarHBondContact O-CG 3.33Å; K183-Q187 PolarHBondContact O-N 2.84Å
184L44.8Very low75.7Confident117 Ų11775.2 Ų75.261%0.61336%0.357SS*.Hα-helixtrans-66.5-42.7176.8-171.2107.7000111.7S182 Q187 I188S182-L184 PolarHBondContact O-N 3.28Å; S182-L184 VanDerWaalsContact O-N 3.15Å; L184-Q187 WeakPolarHBondContact O-CB 3.11Å; L184-Q187 PolarHBondContact O-N 3.37Å; L184-I188 HydrophobicContact CD2-CD1 4.12Å; L184-I188 HydrophobicContact CG-CD1 4.44Å; L184-I188 WeakPolarHBondContact O-CG1 3.37Å; L184-I188 PolarHBondContact O-N 2.89Å
185H69.8Low75Confident93 Ų9379.8 Ų79.843%0.43138%0.377SS..Hα-helixtrans-65-41.9177.4-168.896.3000111.3T181 S182 Q187 I188 Q189T181-H185 HydrophobicContact CG2-CB 3.7Å; T181-H185 WeakPolarHBondContact CG2-CD2 3.35Å; S182-H185 WeakPolarHBondContact O-CB 3.43Å; S182-H185 PolarHBondContact O-N 2.77Å; S182-H185 VanDerWaalsContact OG-CB 3.28Å; S182-H185 WeakPolarHBondContact OG-CB 3.47Å; S182-H185 PolarHBondContact OG-N 2.78Å; H185-Q187 VanDerWaalsContact C-N 3.34Å; H185-Q187 PolarHBondContact O-N 2.78Å; H185-I188 PolarHBondContact O-N 3.28Å; H185-Q189 PolarHBondContact CD2-NE2 2.82Å; H185-Q189 PolarHBondContact CD2-OE1 2.85Å; H185-Q189 PolarHBondContact NE2-NE2 2.87Å; H185-Q189 VanDerWaalsContact NE2-NE2 3.12Å; H185-Q189 WeakPolarHBondContact O-CG 3.47Å; H185-Q189 PolarHBondContact O-N 3.46Å
186L64Low74Confident29 Ų2984.4 Ų84.415%0.15240%0.399CS..Hα-helixtrans-57.1-45.9171.5-68.1176.2000111.5L178 T181 S182 I188 Q189 L190L178-L186 HydrophobicContact CB-CD2 4.41Å; L178-L186 HydrophobicContact CD2-CD2 3.4Å; L178-L186 VanDerWaalsContact CD2-CD2 3.4Å; L178-L186 HydrophobicContact CG-CD2 4.46Å; T181-L186 HydrophobicContact CG2-CD2 3.69Å; T181-L186 HydrophobicContact CG2-CG 3.75Å; S182-L186 PolarHBondContact O-N 2.83Å; L186-I188 VanDerWaalsContact C-N 3.34Å; L186-I188 PolarHBondContact O-N 2.77Å; L186-Q189 PolarHBondContact O-N 3.08Å; L186-L190 WeakPolarHBondContact O-CB 3.48Å; L186-L190 VanDerWaalsContact O-CG 3.25Å; L186-L190 WeakPolarHBondContact O-CG 3.5Å; L186-L190 PolarHBondContact O-N 3.49Å
187Q72.6Confident72.9Confident99 Ų9985.1 Ų85.146%0.46340%0.403SS..Hα-helixtrans-61-39.6177.9-76.8177.2-16.600113.3K183 L184 H185 R191K183-Q187 WeakPolarHBondContact O-CG 3.33Å; K183-Q187 PolarHBondContact O-N 2.84Å; L184-Q187 WeakPolarHBondContact O-CB 3.11Å; L184-Q187 PolarHBondContact O-N 3.37Å; H185-Q187 VanDerWaalsContact C-N 3.34Å; H185-Q187 PolarHBondContact O-N 2.78Å; Q187-R191 WeakPolarHBondContact O-CG 3.15Å; Q187-R191 PolarHBondContact O-N 2.99Å
188I69.5Low71.8Confident79 Ų7981.2 Ų81.241%0.40539%0.393SS..Hα-helixtrans-65.9-44.2176.7-67.8167.1000110.4L184 H185 L186 R191 R192L184-I188 HydrophobicContact CD2-CD1 4.12Å; L184-I188 HydrophobicContact CG-CD1 4.44Å; L184-I188 WeakPolarHBondContact O-CG1 3.37Å; L184-I188 PolarHBondContact O-N 2.89Å; H185-I188 PolarHBondContact O-N 3.28Å; L186-I188 VanDerWaalsContact C-N 3.34Å; L186-I188 PolarHBondContact O-N 2.77Å; I188-R191 PolarHBondContact O-N 2.92Å; I188-R192 WeakPolarHBondContact O-CG 3.49Å; I188-R192 PolarHBondContact O-N 3.33Å; I188-R192 VanDerWaalsContact O-N 3.16Å
189Q76.9Confident70.6Confident27 Ų2785.8 Ų85.813%0.12642%0.418CS..Hα-helixtrans-64-42.8177.7-70.3176.2-38.300111.8L169 H185 L186 R191 R192 L193L169-Q189 HydrophobicContact CD1-CB 4.1Å; L169-Q189 HydrophobicContact CD2-CB 3.77Å; H185-Q189 PolarHBondContact CD2-NE2 2.82Å; H185-Q189 PolarHBondContact CD2-OE1 2.85Å; H185-Q189 PolarHBondContact NE2-NE2 2.87Å; H185-Q189 VanDerWaalsContact NE2-NE2 3.12Å; H185-Q189 WeakPolarHBondContact O-CG 3.47Å; H185-Q189 PolarHBondContact O-N 3.46Å; L186-Q189 PolarHBondContact O-N 3.08Å; Q189-R191 PolarHBondContact O-N 3.48Å; Q189-R192 PolarHBondContact O-N 3.11Å; Q189-L193 PolarHBondContact O-N 3.09Å; Q189-L193 VanDerWaalsContact O-N 3.1Å
190L77.1Confident69.5Low40 Ų4089 Ų8921%0.20944%0.435CS..Hα-helixtrans-58-45.8174.5-75.7176.5000111.9P165 V166 L169 L186 R192 L193 T194P165-L190 HydrophobicContact CB-CD2 3.37Å; V166-L190 HydrophobicContact CG2-CD1 4.46Å; V166-L190 HydrophobicContact CG2-CD2 4.47Å; L169-L190 HydrophobicContact CD1-CD2 3.36Å; L169-L190 HydrophobicContact CD1-CG 3.55Å; L169-L190 HydrophobicContact CG-CD2 4.03Å; L186-L190 WeakPolarHBondContact O-CB 3.48Å; L186-L190 VanDerWaalsContact O-CG 3.25Å; L186-L190 WeakPolarHBondContact O-CG 3.5Å; L186-L190 PolarHBondContact O-N 3.49Å; L190-R192 VanDerWaalsContact C-N 3.3Å; L190-R192 PolarHBondContact O-N 3.19Å; L190-L193 PolarHBondContact O-N 2.99Å; L190-T194 WeakPolarHBondContact O-CG2 3.32Å; L190-T194 PolarHBondContact O-N 3.14Å; L190-T194 PolarHBondContact O-OG1 2.9Å
191R78.4Confident68.3Low187 Ų18787.8 Ų87.871%0.70643%0.434SS*.Hα-helixtrans-60.6-38.9177.5-78.6-179.3179.1-176.20.1112.6Q187 I188 Q189 T194 L195Q187-R191 WeakPolarHBondContact O-CG 3.15Å; Q187-R191 PolarHBondContact O-N 2.99Å; I188-R191 PolarHBondContact O-N 2.92Å; Q189-R191 PolarHBondContact O-N 3.48Å; R191-T194 WeakPolarHBondContact CA-OG1 3.25Å; R191-T194 PolarHBondContact O-N 2.95Å; R191-T194 PolarHBondContact O-OG1 3.04Å; R191-L195 VanDerWaalsContact O-CG 3.3Å; R191-L195 WeakPolarHBondContact O-CG 3.34Å; R191-L195 PolarHBondContact O-N 3.5Å; R191-L195 VanDerWaalsContact O-N 3.17Å
192R77.6Confident67.4Low160 Ų16092.3 Ų92.360%0.60445%0.453SS*.Hα-helixtrans-64.1-47.3177.3-71.3178.1179.7-173.8-1.6111.3I188 Q189 L190 T194 L195 E196I188-R192 WeakPolarHBondContact O-CG 3.49Å; I188-R192 PolarHBondContact O-N 3.33Å; I188-R192 VanDerWaalsContact O-N 3.16Å; Q189-R192 PolarHBondContact O-N 3.11Å; L190-R192 VanDerWaalsContact C-N 3.3Å; L190-R192 PolarHBondContact O-N 3.19Å; R192-T194 VanDerWaalsContact C-N 3.34Å; R192-T194 PolarHBondContact O-N 3.3Å; R192-L195 PolarHBondContact O-N 2.85Å; R192-L195 VanDerWaalsContact O-N 3.14Å; R192-E196 WeakPolarHBondContact O-CG 3.4Å; R192-E196 PolarHBondContact O-N 3.35Å
193L74.2Confident67Low29 Ų2993 Ų9315%0.15245%0.45CS..Hα-helixtrans-60.5-42.5176.7-71.3-175000112.5E168 L169 L172 Q189 L190 L195 E196 E197E168-L193 HydrophobicContact CB-CD1 4.39Å; L169-L193 HydrophobicContact CD2-CD1 3.37Å; L169-L193 HydrophobicContact CD2-CG 4.09Å; L169-L193 HydrophobicContact CG-CD1 3.65Å; L172-L193 HydrophobicContact CD1-CD1 4.31Å; L172-L193 HydrophobicContact CD1-CD2 3.98Å; Q189-L193 PolarHBondContact O-N 3.09Å; Q189-L193 VanDerWaalsContact O-N 3.1Å; L190-L193 PolarHBondContact O-N 2.99Å; L193-L195 PolarHBondContact O-N 3.36Å; L193-E196 PolarHBondContact O-N 3.4Å; L193-E197 PolarHBondContact O-N 2.99Å
194T76.9Confident66.4Low69 Ų6990.4 Ų90.442%0.42344%0.443SS..Hα-helixtrans-65.2-28.5178.353.80000113.2L190 R191 R192 S198L190-T194 WeakPolarHBondContact O-CG2 3.32Å; L190-T194 PolarHBondContact O-N 3.14Å; L190-T194 PolarHBondContact O-OG1 2.9Å; R191-T194 WeakPolarHBondContact CA-OG1 3.25Å; R191-T194 PolarHBondContact O-N 2.95Å; R191-T194 PolarHBondContact O-OG1 3.04Å; R192-T194 VanDerWaalsContact C-N 3.34Å; R192-T194 PolarHBondContact O-N 3.3Å; T194-S198 PolarHBondContact O-N 2.81Å; T194-S198 PolarHBondContact O-OG 2.62Å
195L73.3Confident66.8Low114 Ų11494.5 Ų94.560%0.59745%0.45SS*.Hα-helixtrans-76.4-42.2176-72.5168.7000111.1R191 R192 L193 S198 D199R191-L195 VanDerWaalsContact O-CG 3.3Å; R191-L195 WeakPolarHBondContact O-CG 3.34Å; R191-L195 PolarHBondContact O-N 3.5Å; R191-L195 VanDerWaalsContact O-N 3.17Å; R192-L195 PolarHBondContact O-N 2.85Å; R192-L195 VanDerWaalsContact O-N 3.14Å; L193-L195 PolarHBondContact O-N 3.36Å; L195-S198 WeakPolarHBondContact CA-OG 3.49Å; L195-S198 PolarHBondContact O-N 2.98Å; L195-S198 PolarHBondContact O-OG 3.44Å; L195-D199 PolarHBondContact O-N 2.76Å
196E70.7Confident66.1Low110 Ų11094.9 Ų94.951%0.51446%0.46SS..Hα-helixtrans-62.5-43.1175.4-69.7167.3-167.200111.1R192 L193 S198 D199 D200R192-E196 WeakPolarHBondContact O-CG 3.4Å; R192-E196 PolarHBondContact O-N 3.35Å; L193-E196 PolarHBondContact O-N 3.4Å; E196-S198 VanDerWaalsContact C-N 3.3Å; E196-S198 PolarHBondContact O-N 2.88Å; E196-D199 PolarHBondContact O-N 2.98Å; E196-D200 PolarHBondContact O-N 2.79Å
197E67.4Low65.4Low75 Ų7599.1 Ų99.135%0.3548%0.482SS..Hα-helixtrans-62.2-34.1173.3-80.3-164.2139.800112.9R164 L193 N201R164-E197 IonicContact NH2-OE1 2.71Å; R164-E197 PolarHBondContact NH2-OE1 2.78Å; L193-E197 PolarHBondContact O-N 2.99Å; E197-N201 WeakPolarHBondContact O-CB 3.45Å; E197-N201 PolarHBondContact O-N 3.02Å; E197-N201 VanDerWaalsContact O-N 3.17Å; E197-N201 PolarHBondContact O-ND2 2.83Å
198S63.3Low64.2Low53 Ų5399.7 Ų99.737%0.37149%0.492SS..Hα-helixtrans-71.3-40.9176.656.10000112.5T194 L195 E196 N201 E202T194-S198 PolarHBondContact O-N 2.81Å; T194-S198 PolarHBondContact O-OG 2.62Å; L195-S198 WeakPolarHBondContact CA-OG 3.49Å; L195-S198 PolarHBondContact O-N 2.98Å; L195-S198 PolarHBondContact O-OG 3.44Å; E196-S198 VanDerWaalsContact C-N 3.3Å; E196-S198 PolarHBondContact O-N 2.88Å; S198-N201 PolarHBondContact O-N 2.71Å; S198-E202 PolarHBondContact O-N 3.16Å
199D59.4Low63Low100 Ų100106.4 Ų106.454%0.53551%0.514SS..Hα-helixtrans-64.7-42.8177-107.2-6.3000111.2L195 E196 N201 E202 N203L195-D199 PolarHBondContact O-N 2.76Å; E196-D199 PolarHBondContact O-N 2.98Å; D199-N201 PolarHBondContact O-N 3.42Å; D199-E202 PolarHBondContact O-N 3.28Å; D199-N203 WeakPolarHBondContact O-CB 3.19Å; D199-N203 VanDerWaalsContact O-CG 3.3Å; D199-N203 PolarHBondContact O-N 2.67Å; D199-N203 PolarHBondContact O-ND2 2.82Å
200D58.2Low61.5Low102 Ų102113.4 Ų113.455%0.54555%0.547SS..Hα-helixtrans-65.2-38.8177.6-76.4-18.6000112E196 N203 I204E196-D200 PolarHBondContact O-N 2.79Å; D200-N203 PolarHBondContact O-N 2.81Å; D200-I204 VanDerWaalsContact O-CG1 3.27Å; D200-I204 WeakPolarHBondContact O-CG1 3.47Å; D200-I204 PolarHBondContact O-N 2.96Å
201N57Low60.1Low92 Ų92117.2 Ų117.249%0.49257%0.567SS.*Hα-helixtrans-69.5-35.2176.4-81-52.1000112.9E197 S198 D199 R205E197-N201 WeakPolarHBondContact O-CB 3.45Å; E197-N201 PolarHBondContact O-N 3.02Å; E197-N201 VanDerWaalsContact O-N 3.17Å; E197-N201 PolarHBondContact O-ND2 2.83Å; S198-N201 PolarHBondContact O-N 2.71Å; D199-N201 PolarHBondContact O-N 3.42Å; N201-R205 WeakPolarHBondContact O-CB 3.25Å; N201-R205 VanDerWaalsContact O-CG 3.31Å; N201-R205 WeakPolarHBondContact O-CG 3.41Å; N201-R205 PolarHBondContact O-N 2.81Å; N201-R205 VanDerWaalsContact O-N 3.08Å
202E57.2Low58.7Low129 Ų129113.5 Ų113.560%0.60357%0.567SS**Hα-helixtrans-67.2-41.7172.2-74.7-167.3175.300111.2S198 D199 I204 R205 T206S198-E202 PolarHBondContact O-N 3.16Å; D199-E202 PolarHBondContact O-N 3.28Å; E202-I204 PolarHBondContact O-N 3.03Å; E202-R205 PolarHBondContact O-N 3Å; E202-T206 WeakPolarHBondContact O-CG2 3.42Å; E202-T206 PolarHBondContact O-N 3.37Å; E202-T206 PolarHBondContact O-OG1 3.44Å
203N54Low57.2Low87 Ų87108.9 Ų108.947%0.46557%0.57SS.*Hα-helixtrans-66.1-32.8176.3-73.4-42.1000113.5D199 D200 T206 N207D199-N203 WeakPolarHBondContact O-CB 3.19Å; D199-N203 VanDerWaalsContact O-CG 3.3Å; D199-N203 PolarHBondContact O-N 2.67Å; D199-N203 PolarHBondContact O-ND2 2.82Å; D200-N203 PolarHBondContact O-N 2.81Å; N203-T206 WeakPolarHBondContact CA-OG1 3.25Å; N203-T206 PolarHBondContact O-OG1 2.9Å; N203-T206 VanDerWaalsContact O-OG1 3.08Å; N203-N207 WeakPolarHBondContact O-CB 3.27Å; N203-N207 PolarHBondContact O-N 2.92Å; N203-N207 PolarHBondContact O-ND2 3.46Å
204I52.4Low55.6Low108 Ų108114.3 Ų114.355%0.55460%0.598SS**Hα-helixtrans-71.5-40.3173.2-69.3165.2000110.7D200 E202 T206 N207D200-I204 VanDerWaalsContact O-CG1 3.27Å; D200-I204 WeakPolarHBondContact O-CG1 3.47Å; D200-I204 PolarHBondContact O-N 2.96Å; E202-I204 PolarHBondContact O-N 3.03Å; I204-T206 VanDerWaalsContact C-N 3.33Å; I204-T206 PolarHBondContact O-N 2.86Å; I204-N207 PolarHBondContact O-N 3.17Å
205R52.3Low54Low202 Ų202121.2 Ų121.276%0.76262%0.618SS**Hα-helixtrans-65.7-35.2177.5-76.8177.9177.7-173.71.4112.4N201 E202N201-R205 WeakPolarHBondContact O-CB 3.25Å; N201-R205 VanDerWaalsContact O-CG 3.31Å; N201-R205 WeakPolarHBondContact O-CG 3.41Å; N201-R205 PolarHBondContact O-N 2.81Å; N201-R205 VanDerWaalsContact O-N 3.08Å; E202-R205 PolarHBondContact O-N 3Å
206T55.4Low52.6Low102 Ų102123.5 Ų123.563%0.62663%0.63SS**Hα-helixtrans-76-23.3176.554.10000113.2E202 N203 I204E202-T206 WeakPolarHBondContact O-CG2 3.42Å; E202-T206 PolarHBondContact O-N 3.37Å; E202-T206 PolarHBondContact O-OG1 3.44Å; N203-T206 WeakPolarHBondContact CA-OG1 3.25Å; N203-T206 PolarHBondContact O-OG1 2.9Å; N203-T206 VanDerWaalsContact O-OG1 3.08Å; I204-T206 VanDerWaalsContact C-N 3.33Å; I204-T206 PolarHBondContact O-N 2.86Å
207N50.3Low51.5Low117 Ų117126 Ų12663%0.62665%0.646SS**THydrogen-bonded Turntrans-85.3-1.1178.2-81.6-35.1000115N203 I204 Y209N203-N207 WeakPolarHBondContact O-CB 3.27Å; N203-N207 PolarHBondContact O-N 2.92Å; N203-N207 PolarHBondContact O-ND2 3.46Å; I204-N207 PolarHBondContact O-N 3.17Å; N207-Y209 VanDerWaalsContact C-N 3.31Å; N207-Y209 PolarHBondContact O-N 3.05Å
208V46Very low50.3Low111 Ų111131.2 Ų131.267%0.67367%0.671SS**SBendtrans-72.593.9165.2-176.30000107.2H210V208-H210 PolarHBondContact O-N 3.43Å
209Y44.7Very low49.2Very low221 Ų221135.8 Ų135.887%0.86770%0.696SS**  trans-41.8108.7179.4-85.5-97.9000111.4N207 D211N207-Y209 VanDerWaalsContact C-N 3.31Å; N207-Y209 PolarHBondContact O-N 3.05Å; Y209-D211 PolarHBondContact O-N 3.1Å
210H44.9Very low48.3Very low174 Ų174139.7 Ų139.781%0.80671%0.708SS**  trans-74.7101.1165.2-160.864.9000106.3V208 P212V208-H210 PolarHBondContact O-N 3.43Å; H210-P212 WeakPolarHBondContact O-CD 3.23Å; H210-P212 WeakPolarHBondContact O-CG 3.41Å
211D49.7Very low47.9Very low119 Ų119140.1 Ų140.164%0.63672%0.717SS**  trans-70.8106.5173.3-1760.3000108.8Y209 G213Y209-D211 PolarHBondContact O-N 3.1Å; D211-G213 PolarHBondContact O-N 2.88Å; D211-G213 PolarHBondContact OD1-N 3.17Å; D211-G213 VanDerWaalsContact OD1-N 3.16Å
212P47.3Very low47.5Very low110 Ų110142 Ų14271%0.71473%0.731SS**G310 helixtrans-814-175.4-5.826.7000112.6H210 L214H210-P212 WeakPolarHBondContact O-CD 3.23Å; H210-P212 WeakPolarHBondContact O-CG 3.41Å; P212-L214 VanDerWaalsContact C-N 3.28Å; P212-L214 PolarHBondContact O-N 2.74Å
213G46.6Very low47.1Very low63 Ų63144.6 Ų144.665%0.64974%0.743SS**G310 helixtrans-73.9-0.4-171.600000117D211D211-G213 PolarHBondContact O-N 2.88Å; D211-G213 PolarHBondContact OD1-N 3.17Å; D211-G213 VanDerWaalsContact OD1-N 3.16Å
214L40.1Very low46.5Very low142 Ų142148 Ų14874%0.74376%0.756SS**G310 helixtrans-101.17.9-169.3-82.8165.7000116.7P212P212-L214 VanDerWaalsContact C-N 3.28Å; P212-L214 PolarHBondContact O-N 2.74Å
215Y43.3Very low45.9Very low215 Ų215149.5 Ų149.584%0.84377%0.765SS**SBendtrans-139.160.2-179.7-70.7-78.1000114.5
216L45Very low45.4Very low162 Ų162147.7 Ų147.785%0.84877%0.769SS**  trans-146.293.5164.8-76.4169.8000109.6
217D47.3Very low45Very low161 Ų161155.5 Ų155.586%0.86180%0.798SS**  trans-14783.1150.8-92.9-24.7000108.9
218E41.5Very low44.7Very low186 Ų186157.4 Ų157.487%0.86981%0.806SS**  trans41110.4137.8-57.7-168.7162.600120.3
219V40.7Very low44.7Very low148 Ų148159.8 Ų159.890%0.89781%0.813SS**PPolyproline II helixtrans-82.3134.7170.7174.10000110.8
220K40.7Very low44.7Very low183 Ų183156.4 Ų156.480%0.79681%0.81SS**PPolyproline II helixtrans-55.2145.7178.5-65.8173.7174.2177.80114.9
221P48.5Very low44.7Very low111 Ų111155.4 Ų155.472%0.72181%0.81SS**PPolyproline II helixtrans-85.3125.7156.931.7-25.8000110.5
222V49.7Very low44.3Very low131 Ų131157.7 Ų157.779%0.79482%0.821SS**  trans-90111.6171.61790000107.4E224V222-E224 PolarHBondContact O-N 2.71Å
223H49.6Very low44.1Very low183 Ų183160.9 Ų160.985%0.84783%0.829SS**  trans-80115173.1-86-72.2000110.1
224E41.1Very low44Very low160 Ų160167.9 Ų167.975%0.74884%0.841SS**  trans-81.5143.6175.6-93.1-179.9160.900113V222V222-E224 PolarHBondContact O-N 2.71Å
225N39.9Very low44.3Very low138 Ų138169.8 Ų169.874%0.73885%0.849SS**  trans6696.8144.2-60.4-30.6000120.5
226I41.3Very low44.4Very low165 Ų165166.1 Ų166.185%0.84685%0.849SS**  trans-146.1102.5137.9-52.8179.9000109.1
227H46.8Very low44.3Very low265 Ų265166.5 Ų166.5100%1.22785%0.849SS**  trans-158.90143.1-98.2-51.7000109.9

Retrieved 227 of 227 residues in 81.2 ms (Link to these results)

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