A0A060XBB9_ONCMY Loading...

Adenylate kinase isoenzyme 1

Catalyzes the reversible transfer of the terminal phosphate group between ATP and AMP. Also displays broad nucleoside diphosphate kinase activity. Plays an important role in cellular energy homeostasis and in adenine nucleotide metabolism. Also catalyzes at a very low rate the synthesis of thiamine triphosphate (ThTP) from thiamine diphosphate (ThDP) and ADP.

AlphaFold DB , UniProt , Accession A0A060XBB9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110523607, Length 194 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M51.8Low79Confident160 Ų16075.5 Ų75.579%0.78838%0.384SS*.  0-50.10-121176162.800111.5D3 K4 I81M1-D3 PolarHBondContact O-N 3.37Å; M1-K4 PolarHBondContact O-N 2.94Å; M1-K4 VanDerWaalsContact O-N 3.15Å; M1-I81 HydrophobicContact CE-CG2 3.59Å; M1-I81 HydrophobicContact CG-CG2 3.91Å; M1-I81 HydrophobicContact SD-CG2 3.83Å
2A55Low80.6Confident44 Ų4469.3 Ų69.336%0.36435%0.352SS..G310 helixtrans-60.7-26.4173.700000114.4K4 I5A2-K4 VanDerWaalsContact C-N 3.3Å; A2-K4 PolarHBondContact O-N 3.13Å; A2-I5 VanDerWaalsContact O-CG1 3.25Å; A2-I5 WeakPolarHBondContact O-CG1 3.49Å
3D67.5Low82Confident104 Ų10464.1 Ų64.156%0.55633%0.326SS*.G310 helixtrans-71.3-22.4176.1-60.1-57.7000113.7M1 I5 K6M1-D3 PolarHBondContact O-N 3.37Å; D3-I5 VanDerWaalsContact C-N 3.29Å; D3-I5 PolarHBondContact O-N 3.32Å; D3-K6 PolarHBondContact O-N 3.22Å; D3-K6 IonicContact OD1-NZ 3.97Å; D3-K6 PolarHBondContact OD1-NZ 3.47Å
4K71.3Confident83.1Confident111 Ų11159.6 Ų59.648%0.48330%0.304SS..G310 helixtrans-69.7-26.3-178.7-72.4-169.2171.3-167.70113.2M1 A2 V84 D85M1-K4 PolarHBondContact O-N 2.94Å; M1-K4 VanDerWaalsContact O-N 3.15Å; A2-K4 VanDerWaalsContact C-N 3.3Å; A2-K4 PolarHBondContact O-N 3.13Å; K4-V84 HydrophobicContact CB-CG1 3.98Å; K4-V84 HydrophobicContact CB-CG2 4.04Å; K4-V84 HydrophobicContact CD-CG1 4.05Å; K4-V84 VanDerWaalsContact O-CG2 3.31Å; K4-V84 WeakPolarHBondContact O-CG2 3.33Å; K4-D85 VanDerWaalsContact NZ-CG 3.3Å; K4-D85 IonicContact NZ-OD1 2.72Å; K4-D85 PolarHBondContact NZ-OD1 3.25Å; K4-D85 IonicContact NZ-OD2 3.95Å; K4-D85 PolarHBondContact NZ-OD2 2.84Å; K4-D85 VanDerWaalsContact NZ-OD2 3.08Å
5I83.1Confident84.1Confident1 Ų156.2 Ų56.21%0.00529%0.289CS..G310 helixtrans-89.9-8.5-178.159.3178.3000113.1A2 D3 D7 A8 K77 M80 I81 V84 I109A2-I5 VanDerWaalsContact O-CG1 3.25Å; A2-I5 WeakPolarHBondContact O-CG1 3.49Å; D3-I5 VanDerWaalsContact C-N 3.29Å; D3-I5 PolarHBondContact O-N 3.32Å; I5-D7 VanDerWaalsContact C-N 3.32Å; I5-D7 PolarHBondContact O-N 2.71Å; I5-A8 WeakPolarHBondContact O-CB 3.35Å; I5-A8 PolarHBondContact O-N 3.08Å; I5-K77 HydrophobicContact CD1-CG 4.3Å; I5-M80 HydrophobicContact CB-CE 4.48Å; I5-M80 HydrophobicContact CG2-CB 4.24Å; I5-I81 HydrophobicContact CD1-CG1 4.13Å; I5-I81 HydrophobicContact CG2-CG1 4.31Å; I5-V84 HydrophobicContact CB-CG2 4.47Å; I5-V84 HydrophobicContact CG2-CB 3.82Å; I5-V84 HydrophobicContact CG2-CG1 4.48Å; I5-V84 HydrophobicContact CG2-CG2 3.6Å; I5-I109 HydrophobicContact CD1-CG1 4.49Å; I5-I109 HydrophobicContact CD1-CG2 3.87Å; I5-I109 HydrophobicContact CG1-CG2 4.44Å
6K74.8Confident84.8Confident129 Ų12952.8 Ų52.856%0.56127%0.272SS*.THydrogen-bonded Turntrans-63.3-36-179.5-82.9179177.1158.10113.1D3D3-K6 PolarHBondContact O-N 3.22Å; D3-K6 IonicContact OD1-NZ 3.97Å; D3-K6 PolarHBondContact OD1-NZ 3.47Å
7D82.3Confident85.3Confident154 Ų15450.6 Ų50.682%0.82426%0.262SS*.THydrogen-bonded Turntrans-94.44.2-178.2-57.8-41.3000112.9I5I5-D7 VanDerWaalsContact C-N 3.32Å; I5-D7 PolarHBondContact O-N 2.71Å
8A91.3Very high85.8Confident23 Ų2348.4 Ų48.419%0.1925%0.253CS..SBendtrans-70.3141-179.200000110.9I5 I10 F90I5-A8 WeakPolarHBondContact O-CB 3.35Å; I5-A8 PolarHBondContact O-N 3.08Å; A8-I10 HydrophobicContact CB-CG1 4.46Å; A8-I10 PolarHBondContact O-N 3.38Å; A8-F90 HydrophobicContact CB-CD2 3.86Å; A8-F90 HydrophobicContact CB-CE2 3.9Å
9K95.3Very high86.4Confident103 Ų10345.8 Ų45.845%0.44824%0.24SC..  trans-68.4113.7168.8-69.3-175.7177.9-171.50108.9G89 F90K9-G89 CarbonylContact O-C 3.52Å; K9-G89 VanDerWaalsContact O-CA 3.28Å; K9-G89 WeakPolarHBondContact O-CA 3.44Å; K9-F90 PolarHBondContact O-N 3Å
10I97.9Very high86.9Confident2 Ų244.7 Ų44.71%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-113124.8-178.7-61.1167.5000109.2A8 F12 M80 I92 F105 I109 P112 C113A8-I10 HydrophobicContact CB-CG1 4.46Å; A8-I10 PolarHBondContact O-N 3.38Å; I10-F12 HydrophobicContact CG2-CD1 4.11Å; I10-F12 HydrophobicContact CG2-CE1 3.91Å; I10-M80 HydrophobicContact CD1-CE 3.8Å; I10-M80 HydrophobicContact CG1-CE 3.95Å; I10-I92 HydrophobicContact CG2-CG1 3.97Å; I10-F105 HydrophobicContact CD1-CE1 3.93Å; I10-F105 HydrophobicContact CD1-CZ 4.24Å; I10-F105 HydrophobicContact CG2-CE1 3.92Å; I10-F105 HydrophobicContact CG2-CZ 4.01Å; I10-I109 HydrophobicContact CD1-CG2 4.19Å; I10-P112 HydrophobicContact CG2-CB 4.38Å; I10-P112 CarbonylContact O-C 3.48Å; I10-P112 VanDerWaalsContact O-CA 3.31Å; I10-P112 WeakPolarHBondContact O-CA 3.29Å; I10-C113 PolarHBondContact O-N 3.4Å; I10-C113 PolarHBondContact O-SG 2.99Å
11I98.6Very high87.4Confident0 Ų043.6 Ų43.60%023%0.233CC..EExtended strand (participates in β ladder)trans-118.9120.7175.5-57.3-177.8000108.2V13 Y34 F90 L91 I92 L114 L116 I190 L193I11-V13 HydrophobicContact CG2-CG2 4.34Å; I11-Y34 HydrophobicContact CD1-CD2 4.31Å; I11-Y34 HydrophobicContact CD1-CE2 3.6Å; I11-Y34 HydrophobicContact CG1-CE2 4.22Å; I11-F90 PolarHBondContact N-O 3.27Å; I11-L91 HydrophobicContact CB-CD2 4.04Å; I11-L91 HydrophobicContact CD1-CD2 4.31Å; I11-L91 HydrophobicContact CG2-CD2 4.18Å; I11-I92 PolarHBondContact O-N 2.63Å; I11-L114 WeakPolarHBondContact CA-O 3.38Å; I11-L114 HydrophobicContact CB-CB 4.5Å; I11-L114 HydrophobicContact CD1-CD2 4.2Å; I11-L114 HydrophobicContact CG1-CB 4.08Å; I11-L114 HydrophobicContact CG2-CB 4.11Å; I11-L114 HydrophobicContact CG2-CD2 4.29Å; I11-L114 HydrophobicContact CG2-CG 4.33Å; I11-L116 HydrophobicContact CG2-CD1 3.79Å; I11-L116 HydrophobicContact CG2-CG 3.85Å; I11-I190 HydrophobicContact CD1-CD1 4.27Å; I11-I190 HydrophobicContact CD1-CG1 4.02Å; I11-L193 HydrophobicContact CD1-CD1 4.04Å
12F98.8Very high89.5Confident0 Ų037.1 Ų37.10%021%0.207CC..EExtended strand (participates in β ladder)trans-79.3134.2168.8-69.6-14000109.8I10 V14 I92 P96 F105 P112 L114 L115 L116 Y164I10-F12 HydrophobicContact CG2-CD1 4.11Å; I10-F12 HydrophobicContact CG2-CE1 3.91Å; F12-V14 HydrophobicContact CB-CG2 4.27Å; F12-I92 HydrophobicContact CD1-CB 3.87Å; F12-I92 HydrophobicContact CD1-CG1 4.2Å; F12-I92 HydrophobicContact CD1-CG2 4.28Å; F12-I92 HydrophobicContact CE1-CB 4.26Å; F12-I92 HydrophobicContact CE1-CG1 4.29Å; F12-I92 HydrophobicContact CE1-CG2 4.37Å; F12-P96 HydrophobicContact CD2-CG 3.94Å; F12-P96 HydrophobicContact CE2-CG 3.85Å; F12-F105 AromaticContact CE1-CD1 3.79Å; F12-F105 HydrophobicContact CE1-CD1 3.79Å; F12-F105 HydrophobicContact CE1-CD2 4.33Å; F12-F105 AromaticContact CE1-CE1 3.67Å; F12-F105 HydrophobicContact CE1-CE1 3.67Å; F12-F105 HydrophobicContact CE1-CE2 4.22Å; F12-F105 HydrophobicContact CE1-CG 4.15Å; F12-F105 AromaticContact CE1-CZ 3.9Å; F12-F105 HydrophobicContact CE1-CZ 3.9Å; F12-F105 HydrophobicContact CZ-CB 4.32Å; F12-F105 AromaticContact CZ-CD1 3.48Å; F12-F105 HydrophobicContact CZ-CD1 3.48Å; F12-F105 VanDerWaalsContact CZ-CD1 3.48Å; F12-F105 HydrophobicContact CZ-CD2 4.4Å; F12-F105 AromaticContact CZ-CE1 3.84Å; F12-F105 HydrophobicContact CZ-CE1 3.84Å; F12-F105 AromaticContact CZ-CG 3.82Å; F12-F105 HydrophobicContact CZ-CG 3.82Å; F12-F105 HydrophobicContact CZ-CZ 4.44Å; F12-P112 HydrophobicContact CD1-CB 4.12Å; F12-P112 HydrophobicContact CD2-CB 3.8Å; F12-P112 HydrophobicContact CD2-CG 3.68Å; F12-P112 HydrophobicContact CE1-CB 4.26Å; F12-P112 HydrophobicContact CE2-CB 3.93Å; F12-P112 HydrophobicContact CE2-CG 3.52Å; F12-P112 HydrophobicContact CG-CB 3.92Å; F12-P112 HydrophobicContact CG-CG 4.33Å; F12-P112 HydrophobicContact CZ-CB 4.17Å; F12-P112 HydrophobicContact CZ-CG 4.04Å; F12-L114 PolarHBondContact N-O 3.01Å; F12-L115 HydrophobicContact CB-CB 4.38Å; F12-L115 HydrophobicContact CB-CD1 4.33Å; F12-L115 HydrophobicContact CB-CG 4.05Å; F12-L115 CarbonylContact O-C 3.56Å; F12-L115 WeakPolarHBondContact O-CA 3.34Å; F12-L116 PolarHBondContact O-N 2.96Å; F12-Y164 HydrophobicContact CD2-CE2 4.18Å; F12-Y164 HydrophobicContact CE2-CE2 4.17Å; F12-Y164 AromaticContact CE2-CZ 3.83Å
13V98.6Very high91.5Very high2 Ų238 Ų381%0.01221%0.208CC..EExtended strand (participates in β ladder)trans-117.1103.2175.8-1710000108I11 K21 L91 I92 G94 L116 I118I11-V13 HydrophobicContact CG2-CG2 4.34Å; V13-K21 HydrophobicContact CG1-CB 3.92Å; V13-K21 HydrophobicContact CG1-CD 4.27Å; V13-K21 HydrophobicContact CG1-CG 3.98Å; V13-K21 WeakPolarHBondContact O-CD 3.31Å; V13-L91 HydrophobicContact CG2-CB 4.31Å; V13-L91 HydrophobicContact CG2-CD2 4.18Å; V13-I92 PolarHBondContact N-O 3.43Å; V13-G94 PolarHBondContact O-N 3.39Å; V13-G94 VanDerWaalsContact O-N 3.15Å; V13-L116 HydrophobicContact CG2-CD1 4.36Å; V13-I118 HydrophobicContact CG1-CG1 4.02Å
14V97.9Very high92.9Very high2 Ų233.5 Ų33.51%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-117.2147.7-171.4-172.40000109.8F12 L115 L116 Y117 I118 T157 I161F12-V14 HydrophobicContact CB-CG2 4.27Å; V14-L115 HydrophobicContact CB-CD2 4.13Å; V14-L115 HydrophobicContact CG2-CD1 3.94Å; V14-L115 HydrophobicContact CG2-CD2 4.16Å; V14-L115 HydrophobicContact CG2-CG 3.99Å; V14-L116 PolarHBondContact N-O 3.41Å; V14-Y117 CarbonylContact O-C 3.57Å; V14-Y117 WeakPolarHBondContact O-CA 3.46Å; V14-I118 PolarHBondContact O-N 3.43Å; V14-T157 HydrophobicContact CG1-CG2 3.6Å; V14-I161 HydrophobicContact CB-CD1 3.89Å; V14-I161 HydrophobicContact CG1-CD1 3.6Å
15G96.9Very high94.2Very high8 Ų828.3 Ų28.38%0.08216%0.161CC..  trans157.4159.9-177.400000110.5K21 Y153G15-K21 WeakPolarHBondContact O-CE 3.31Å; G15-K21 PolarHBondContact O-NZ 2.78Å; G15-Y153 VanDerWaalsContact C-CE2 3.45Å
16G95.3Very high95Very high1 Ų134.2 Ų34.21%0.0119%0.189CC..  trans-66.1164.9-17400000114.2G18 S19 K21 M125 Y153G16-G18 PolarHBondContact O-N 2.85Å; G16-S19 WeakPolarHBondContact O-CB 3.36Å; G16-S19 PolarHBondContact O-N 3Å; G16-S19 VanDerWaalsContact O-N 3.14Å; G16-S19 PolarHBondContact O-OG 2.91Å; G16-S19 VanDerWaalsContact O-OG 3.04Å; G16-K21 PolarHBondContact O-NZ 2.79Å; G16-M125 WeakPolarHBondContact CA-SD 3.32Å; G16-Y153 VanDerWaalsContact CA-CD2 3.44Å
17P93.4Very high96.1Very high17 Ų1731 Ų3111%0.1118%0.175CC..THydrogen-bonded Turntrans-58.3130174.629.5-36.9000109.4M125 L129 R149 L150P17-M125 VanDerWaalsContact O-CB 3.23Å; P17-M125 WeakPolarHBondContact O-CB 3.09Å; P17-M125 WeakPolarHBondContact O-CG 3.43Å; P17-L129 HydrophobicContact CB-CD1 3.85Å; P17-L129 HydrophobicContact CB-CD2 4.13Å; P17-L129 HydrophobicContact CG-CD1 4.07Å; P17-R149 HydrophobicContact CB-CB 4.48Å; P17-R149 HydrophobicContact CG-CB 4.04Å; P17-L150 HydrophobicContact CG-CD2 3.82Å; P17-L150 HydrophobicContact CG-CG 4.07Å
18G94.9Very high96.9Very high10 Ų1023.8 Ų23.810%0.10314%0.136CC..THydrogen-bonded Turntrans84.6-0.4-178.300000115.4G16 G20 R128G16-G18 PolarHBondContact O-N 2.85Å; G18-G20 PolarHBondContact O-N 2.85Å; G18-R128 WeakPolarHBondContact O-CD 3.36Å
19S97.1Very high97.2Very high0 Ų025.2 Ų25.20%014%0.142CC..SBendtrans-68.8-11.6177.9710000115G16 K21 I118 R128 S175G16-S19 WeakPolarHBondContact O-CB 3.36Å; G16-S19 PolarHBondContact O-N 3Å; G16-S19 VanDerWaalsContact O-N 3.14Å; G16-S19 PolarHBondContact O-OG 2.91Å; G16-S19 VanDerWaalsContact O-OG 3.04Å; S19-K21 WeakPolarHBondContact OG-CG 3.39Å; S19-I118 VanDerWaalsContact CB-O 3.32Å; S19-I118 WeakPolarHBondContact CB-O 3.15Å; S19-I118 WeakPolarHBondContact O-CG2 3.32Å; S19-I118 PolarHBondContact OG-O 3.01Å; S19-R128 PolarHBondContact O-NH1 3.46Å; S19-S175 VanDerWaalsContact O-CB 3.3Å; S19-S175 WeakPolarHBondContact O-CB 3.29Å; S19-S175 PolarHBondContact O-OG 3.36Å; S19-S175 VanDerWaalsContact O-OG 3.13Å
20G96.6Very high97.3Very high23 Ų2324.6 Ų24.624%0.23716%0.156CC..SBendtrans95.512.8178.200000115.4G18 G22 T23 Q24G18-G20 PolarHBondContact O-N 2.85Å; G20-G22 PolarHBondContact O-N 3.24Å; G20-T23 WeakPolarHBondContact O-CB 3.27Å; G20-T23 PolarHBondContact O-N 3.28Å; G20-Q24 PolarHBondContact O-N 2.93Å; G20-Q24 VanDerWaalsContact O-N 3.15Å
21K96.8Very high97.3Very high22 Ų2229.8 Ų29.810%0.09618%0.179CC..Hα-helixtrans-46.7-56.6176-63.6-178.7-63.9-650113.7V13 G15 G16 S19 T23 Q24 C25 D93 I118V13-K21 HydrophobicContact CG1-CB 3.92Å; V13-K21 HydrophobicContact CG1-CD 4.27Å; V13-K21 HydrophobicContact CG1-CG 3.98Å; V13-K21 WeakPolarHBondContact O-CD 3.31Å; G15-K21 WeakPolarHBondContact O-CE 3.31Å; G15-K21 PolarHBondContact O-NZ 2.78Å; G16-K21 PolarHBondContact O-NZ 2.79Å; S19-K21 WeakPolarHBondContact OG-CG 3.39Å; K21-T23 VanDerWaalsContact C-N 3.32Å; K21-T23 PolarHBondContact O-N 3.41Å; K21-Q24 PolarHBondContact O-N 3.04Å; K21-C25 PolarHBondContact O-N 3.43Å; K21-C25 PolarHBondContact O-SG 2.82Å; K21-C25 VanDerWaalsContact O-SG 3.38Å; K21-D93 VanDerWaalsContact CB-OD1 3.27Å; K21-D93 WeakPolarHBondContact CB-OD1 3.48Å; K21-D93 WeakPolarHBondContact CD-OD1 3.43Å; K21-D93 VanDerWaalsContact CE-OD1 3.22Å; K21-D93 WeakPolarHBondContact CE-OD1 3.35Å; K21-I118 HydrophobicContact CG-CB 4.05Å; K21-I118 HydrophobicContact CG-CG1 4.04Å
22G96Very high97.3Very high23 Ų2331.7 Ų31.724%0.23719%0.186CC..Hα-helixtrans-56.1-44.4-177.600000112.8G20 Q24 C25 E26G20-G22 PolarHBondContact O-N 3.24Å; G22-Q24 VanDerWaalsContact C-N 3.31Å; G22-Q24 PolarHBondContact O-N 3.33Å; G22-C25 WeakPolarHBondContact O-CB 3.38Å; G22-C25 PolarHBondContact O-N 3.15Å; G22-C25 VanDerWaalsContact O-N 3.14Å; G22-E26 WeakPolarHBondContact O-CG 3.28Å; G22-E26 PolarHBondContact O-N 3.19Å
23T96.8Very high97.2Very high63 Ų6333.4 Ų33.439%0.38720%0.204SC..Hα-helixtrans-59.7-40.6176-53.30000112.4G20 K21 K27 V179G20-T23 WeakPolarHBondContact O-CB 3.27Å; G20-T23 PolarHBondContact O-N 3.28Å; K21-T23 VanDerWaalsContact C-N 3.32Å; K21-T23 PolarHBondContact O-N 3.41Å; T23-K27 PolarHBondContact O-N 3.33Å; T23-V179 HydrophobicContact CG2-CG1 3.67Å
24Q98.4Very high97.1Very high9 Ų934.2 Ų34.24%0.04221%0.207CC..Hα-helixtrans-70.9-38.6176-63.5-57.5-34.800111.4G20 K21 G22 E26 K27 V28 V179 V182 F183 V186G20-Q24 PolarHBondContact O-N 2.93Å; G20-Q24 VanDerWaalsContact O-N 3.15Å; K21-Q24 PolarHBondContact O-N 3.04Å; G22-Q24 VanDerWaalsContact C-N 3.31Å; G22-Q24 PolarHBondContact O-N 3.33Å; Q24-E26 PolarHBondContact O-N 3.41Å; Q24-K27 PolarHBondContact O-N 3.37Å; Q24-V28 WeakPolarHBondContact O-CG2 3.19Å; Q24-V28 PolarHBondContact O-N 2.87Å; Q24-V179 PolarHBondContact NE2-O 3.25Å; Q24-V179 VanDerWaalsContact NE2-O 3.14Å; Q24-V182 HydrophobicContact CG-CG1 3.9Å; Q24-F183 VanDerWaalsContact OE1-CB 3.29Å; Q24-V186 HydrophobicContact CB-CG2 4.43Å; Q24-V186 HydrophobicContact CG-CG2 4.46Å
25C98.4Very high97.1Very high2 Ų235.4 Ų35.41%0.01421%0.214CC..Hα-helixtrans-58.8-45.7174.1-68.70000112.1K21 G22 K27 V28 V29 H36 L91K21-C25 PolarHBondContact O-N 3.43Å; K21-C25 PolarHBondContact O-SG 2.82Å; K21-C25 VanDerWaalsContact O-SG 3.38Å; G22-C25 WeakPolarHBondContact O-CB 3.38Å; G22-C25 PolarHBondContact O-N 3.15Å; G22-C25 VanDerWaalsContact O-N 3.14Å; C25-K27 VanDerWaalsContact C-N 3.31Å; C25-K27 PolarHBondContact O-N 2.94Å; C25-V28 PolarHBondContact O-N 2.65Å; C25-V28 VanDerWaalsContact O-N 3.08Å; C25-V29 VanDerWaalsContact O-CG2 3.31Å; C25-V29 WeakPolarHBondContact O-CG2 3.22Å; C25-V29 PolarHBondContact O-N 2.89Å; C25-H36 HydrophobicContact CB-CB 4.28Å; C25-L91 HydrophobicContact CB-CD1 4.07Å
26E98.2Very high97.2Very high125 Ų12537.3 Ų37.358%0.58422%0.221SC*.Hα-helixtrans-56.8-43.7177-73.1168.5-173.400111.9G22 Q24 V29 A30G22-E26 WeakPolarHBondContact O-CG 3.28Å; G22-E26 PolarHBondContact O-N 3.19Å; Q24-E26 PolarHBondContact O-N 3.41Å; E26-V29 PolarHBondContact O-N 3.01Å; E26-A30 PolarHBondContact O-N 3.47Å
27K98.5Very high97.3Very high63 Ų6338 Ų3827%0.27422%0.224SC..Hα-helixtrans-65.8-37.6175.7-70.5-178.1169.6-74.20112.5T23 Q24 C25 A30 K31 V179 D180 F183T23-K27 PolarHBondContact O-N 3.33Å; Q24-K27 PolarHBondContact O-N 3.37Å; C25-K27 VanDerWaalsContact C-N 3.31Å; C25-K27 PolarHBondContact O-N 2.94Å; K27-A30 PolarHBondContact O-N 3.28Å; K27-K31 PolarHBondContact O-N 3.37Å; K27-V179 HydrophobicContact CD-CG1 4.3Å; K27-V179 VanDerWaalsContact CE-CG1 3.47Å; K27-D180 WeakPolarHBondContact CE-OD1 3.23Å; K27-D180 IonicContact NZ-OD1 2.93Å; K27-D180 PolarHBondContact NZ-OD1 3.41Å; K27-F183 HydrophobicContact CB-CD1 4.37Å; K27-F183 HydrophobicContact CB-CD2 3.42Å; K27-F183 VanDerWaalsContact CB-CD2 3.42Å; K27-F183 HydrophobicContact CB-CE1 4.33Å; K27-F183 HydrophobicContact CB-CE2 3.39Å; K27-F183 HydrophobicContact CB-CG 3.93Å; K27-F183 HydrophobicContact CB-CZ 3.86Å; K27-F183 HydrophobicContact CD-CB 3.69Å; K27-F183 HydrophobicContact CD-CD1 4.17Å; K27-F183 HydrophobicContact CD-CD2 3.91Å; K27-F183 HydrophobicContact CD-CG 3.64Å; K27-F183 HydrophobicContact CG-CD2 4.33Å; K27-F183 HydrophobicContact CG-CG 4.44Å
28V98.4Very high97.5Very high1 Ų137.9 Ų37.91%0.00622%0.224CC..Hα-helixtrans-66.2-42.1175.11760000111Q24 C25 A30 K31 Y32 Y34 L91 F183 V186 I190Q24-V28 WeakPolarHBondContact O-CG2 3.19Å; Q24-V28 PolarHBondContact O-N 2.87Å; C25-V28 PolarHBondContact O-N 2.65Å; C25-V28 VanDerWaalsContact O-N 3.08Å; V28-A30 VanDerWaalsContact C-N 3.33Å; V28-A30 PolarHBondContact O-N 3.08Å; V28-K31 PolarHBondContact O-N 3.45Å; V28-Y32 HydrophobicContact CB-CD2 4.34Å; V28-Y32 HydrophobicContact CG1-CD2 3.75Å; V28-Y32 HydrophobicContact CG1-CG 4.48Å; V28-Y32 WeakPolarHBondContact O-CB 3.42Å; V28-Y32 WeakPolarHBondContact O-CD2 3.44Å; V28-Y32 PolarHBondContact O-N 3.4Å; V28-Y34 HydrophobicContact CG1-CG 4.41Å; V28-L91 HydrophobicContact CB-CD1 3.71Å; V28-L91 HydrophobicContact CG1-CD1 3.6Å; V28-L91 HydrophobicContact CG1-CD2 3.91Å; V28-L91 HydrophobicContact CG1-CG 4.22Å; V28-F183 HydrophobicContact CG2-CE2 3.87Å; V28-V186 HydrophobicContact CG2-CG1 3.54Å; V28-I190 HydrophobicContact CB-CD1 4.33Å; V28-I190 HydrophobicContact CG1-CD1 3.57Å; V28-I190 HydrophobicContact CG2-CD1 3.66Å
29V98.1Very high97.4Very high53 Ų5337.6 Ų37.632%0.32122%0.22SC..Hα-helixtrans-56.1-50.4173.71720000109.9C25 E26 K31 G33 Y34 H36 L91C25-V29 VanDerWaalsContact O-CG2 3.31Å; C25-V29 WeakPolarHBondContact O-CG2 3.22Å; C25-V29 PolarHBondContact O-N 2.89Å; E26-V29 PolarHBondContact O-N 3.01Å; V29-K31 PolarHBondContact O-N 3.02Å; V29-G33 WeakPolarHBondContact O-CA 3.41Å; V29-G33 PolarHBondContact O-N 3.37Å; V29-Y34 WeakPolarHBondContact CG2-O 3.37Å; V29-H36 HydrophobicContact CG2-CB 3.58Å; V29-L91 HydrophobicContact CG2-CD1 4.2Å
30A98.2Very high97.2Very high90 Ų9037.9 Ų37.974%0.74422%0.223SC*.Hα-helixtrans-61.7-41.6-178.600000113.3E26 K27 V28E26-A30 PolarHBondContact O-N 3.47Å; K27-A30 PolarHBondContact O-N 3.28Å; V28-A30 VanDerWaalsContact C-N 3.33Å; V28-A30 PolarHBondContact O-N 3.08Å
31K98Very high97Very high112 Ų11240.1 Ų40.149%0.48723%0.23SC..Hα-helixtrans-80.5-41.6-177.9-178174175.1-1640113.4K27 V28 V29 F183 D191K27-K31 PolarHBondContact O-N 3.37Å; V28-K31 PolarHBondContact O-N 3.45Å; V29-K31 PolarHBondContact O-N 3.02Å; K31-F183 HydrophobicContact CB-CZ 3.93Å; K31-F183 HydrophobicContact CD-CE1 3.97Å; K31-F183 HydrophobicContact CD-CZ 3.77Å; K31-F183 HydrophobicContact CG-CZ 4.48Å; K31-D191 IonicContact NZ-OD2 2.71Å
32Y97.2Very high96.9Very high39 Ų3941 Ų4115%0.15324%0.235CC..Hα-helixtrans-110.8-10.8-166.5-61.1-80.1000114.2V28 Y34 K88 F183 A187 I190 D191V28-Y32 HydrophobicContact CB-CD2 4.34Å; V28-Y32 HydrophobicContact CG1-CD2 3.75Å; V28-Y32 HydrophobicContact CG1-CG 4.48Å; V28-Y32 WeakPolarHBondContact O-CB 3.42Å; V28-Y32 WeakPolarHBondContact O-CD2 3.44Å; V28-Y32 PolarHBondContact O-N 3.4Å; Y32-Y34 VanDerWaalsContact C-N 3.29Å; Y32-Y34 PolarHBondContact O-N 2.78Å; Y32-K88 WeakPolarHBondContact O-CD 3.31Å; Y32-F183 HydrophobicContact CE2-CZ 4.44Å; Y32-A187 WeakPolarHBondContact OH-CA 3.48Å; Y32-A187 VanDerWaalsContact OH-CB 3.31Å; Y32-A187 WeakPolarHBondContact OH-CB 3.35Å; Y32-A187 PolarHBondContact OH-O 3.03Å; Y32-I190 HydrophobicContact CD1-CG2 4.31Å; Y32-I190 HydrophobicContact CD2-CD1 4.45Å; Y32-I190 HydrophobicContact CE1-CG2 4.11Å; Y32-I190 HydrophobicContact CE2-CD1 4.26Å; Y32-I190 HydrophobicContact CE2-CG2 4.36Å; Y32-D191 WeakPolarHBondContact CE1-OD1 3.02Å; Y32-D191 VanDerWaalsContact CZ-OD1 3.25Å; Y32-D191 VanDerWaalsContact OH-CG 3.24Å; Y32-D191 PolarHBondContact OH-OD1 3.15Å; Y32-D191 PolarHBondContact OH-OD2 3.2Å
33G96.6Very high96.8Very high36 Ų3640.4 Ų40.437%0.37123%0.227SC..  trans67.828.4-176.900000113.5V29 K88V29-G33 WeakPolarHBondContact O-CA 3.41Å; V29-G33 PolarHBondContact O-N 3.37Å; G33-K88 WeakPolarHBondContact O-CB 3.35Å; G33-K88 PolarHBondContact O-N 2.81Å
34Y97.9Very high96.6Very high20 Ų2040.2 Ų40.28%0.07822%0.219CC..PPolyproline II helixtrans-75.7161.1172.8-81.241.3000109.8I11 V28 V29 Y32 K88 G89 L91I11-Y34 HydrophobicContact CD1-CD2 4.31Å; I11-Y34 HydrophobicContact CD1-CE2 3.6Å; I11-Y34 HydrophobicContact CG1-CE2 4.22Å; V28-Y34 HydrophobicContact CG1-CG 4.41Å; V29-Y34 WeakPolarHBondContact CG2-O 3.37Å; Y32-Y34 VanDerWaalsContact C-N 3.29Å; Y32-Y34 PolarHBondContact O-N 2.78Å; Y34-K88 HydrophobicContact CD1-CB 4.26Å; Y34-K88 HydrophobicContact CE1-CB 4.44Å; Y34-G89 CarbonylContact C-O 3.58Å; Y34-G89 VanDerWaalsContact CA-O 3.27Å; Y34-G89 WeakPolarHBondContact CA-O 3.44Å; Y34-G89 WeakPolarHBondContact CB-O 3.29Å; Y34-L91 HydrophobicContact CD2-CD2 4.14Å; Y34-L91 HydrophobicContact CD2-CG 4.15Å
35T98.2Very high96.4Very high26 Ų2642.9 Ų42.916%0.1624%0.242CC..EExtended strand (participates in β ladder)trans-97.4121.1171.8-59.90000109.7L37 K83 S87 G89 F90 L91T35-L37 HydrophobicContact CG2-CD2 3.87Å; T35-L37 HydrophobicContact CG2-CG 4.16Å; T35-K83 HydrophobicContact CG2-CB 4.11Å; T35-K83 HydrophobicContact CG2-CG 4.11Å; T35-S87 WeakPolarHBondContact CB-OG 3.43Å; T35-S87 WeakPolarHBondContact OG1-CB 3.38Å; T35-S87 PolarHBondContact OG1-OG 3.14Å; T35-G89 PolarHBondContact N-O 3.01Å; T35-F90 HydrophobicContact CG2-CD1 4.18Å; T35-F90 HydrophobicContact CG2-CE1 4.11Å; T35-F90 WeakPolarHBondContact O-CA 3.46Å; T35-L91 PolarHBondContact O-N 3.19Å
36H98.4Very high96.2Very high48 Ų4844.7 Ų44.722%0.22225%0.251CS..EExtended strand (participates in β ladder)trans-87.5121173.7172.1-147.2000110.8C25 V29 L91 D93C25-H36 HydrophobicContact CB-CB 4.28Å; V29-H36 HydrophobicContact CG2-CB 3.58Å; H36-L91 HydrophobicContact CB-CD1 4.44Å; H36-D93 IonicContact CE1-OD2 2.71Å; H36-D93 VanDerWaalsContact NE2-CB 3.3Å; H36-D93 WeakPolarHBondContact NE2-CB 3.28Å; H36-D93 IonicContact NE2-OD2 3.94Å; H36-D93 PolarHBondContact NE2-OD2 2.91Å
37L98.1Very high96Very high16 Ų1640.3 Ų40.38%0.08423%0.232CC..EExtended strand (participates in β ladder)trans-119.1104.6174.6-59.1-178.6000108.5T35 A79 M80 F90 L91 I92 D93T35-L37 HydrophobicContact CG2-CD2 3.87Å; T35-L37 HydrophobicContact CG2-CG 4.16Å; L37-A79 HydrophobicContact CD1-CB 4.06Å; L37-A79 HydrophobicContact CD2-CB 3.9Å; L37-M80 HydrophobicContact CD1-CB 4.33Å; L37-M80 HydrophobicContact CD1-CG 3.38Å; L37-F90 HydrophobicContact CD1-CD1 3.77Å; L37-F90 HydrophobicContact CD1-CE1 4.18Å; L37-F90 HydrophobicContact CG-CD1 4.31Å; L37-L91 PolarHBondContact N-O 3.42Å; L37-I92 HydrophobicContact CB-CD1 4.22Å; L37-I92 HydrophobicContact CD1-CD1 4.06Å; L37-D93 PolarHBondContact O-N 2.79Å
38S96.4Very high95.8Very high14 Ų1441.5 Ų41.510%0.09825%0.254CS..EExtended strand (participates in β ladder)trans-92.2123.2173.6-167.60000110.2G40 D41 L42 D93S38-G40 PolarHBondContact O-N 3.3Å; S38-D41 VanDerWaalsContact CB-OD2 3.28Å; S38-D41 WeakPolarHBondContact CB-OD2 3.45Å; S38-D41 PolarHBondContact O-N 3.25Å; S38-D41 VanDerWaalsContact O-N 3.1Å; S38-L42 WeakPolarHBondContact O-CG 3.35Å; S38-L42 PolarHBondContact O-N 3.04Å; S38-D93 WeakPolarHBondContact CA-O 3.49Å; S38-D93 WeakPolarHBondContact CB-OD2 3.43Å; S38-D93 PolarHBondContact OG-OD2 3.15Å
39S93.2Very high95.5Very high4 Ų445 Ų453%0.02828%0.278CS..Hα-helixtrans-57.3-3817563.50000111.3D41 L43 D93 G94S39-D41 PolarHBondContact O-N 3.17Å; S39-L43 WeakPolarHBondContact O-CB 3.32Å; S39-L43 WeakPolarHBondContact O-CD1 3.38Å; S39-L43 WeakPolarHBondContact O-CG 3.25Å; S39-L43 PolarHBondContact O-N 3.36Å; S39-D93 PolarHBondContact N-O 2.77Å; S39-D93 PolarHBondContact OG-O 3.18Å; S39-G94 PolarHBondContact OG-O 2.73Å
40G92.1Very high95.3Very high6 Ų644.7 Ų44.76%0.06229%0.286CS..Hα-helixtrans-65.3-37.4177.300000113.6S38 R44S38-G40 PolarHBondContact O-N 3.3Å; G40-R44 VanDerWaalsContact C-CZ 3.44Å; G40-R44 WeakPolarHBondContact O-CB 3.47Å; G40-R44 WeakPolarHBondContact O-CG 3.45Å; G40-R44 PolarHBondContact O-N 2.93Å; G40-R44 PolarHBondContact O-NE 2.85Å; G40-R44 PolarHBondContact O-NH1 3.19Å; G40-R44 PolarHBondContact O-NH2 2.86Å
41D93.6Very high95Very high70 Ų7042.1 Ų42.137%0.37426%0.262SS..Hα-helixtrans-75-39.2178.6-67.4-34.4000111.6S38 S39 L43 R44 A45S38-D41 VanDerWaalsContact CB-OD2 3.28Å; S38-D41 WeakPolarHBondContact CB-OD2 3.45Å; S38-D41 PolarHBondContact O-N 3.25Å; S38-D41 VanDerWaalsContact O-N 3.1Å; S39-D41 PolarHBondContact O-N 3.17Å; D41-L43 VanDerWaalsContact C-N 3.31Å; D41-L43 PolarHBondContact O-N 3.36Å; D41-R44 PolarHBondContact O-N 2.99Å; D41-R44 IonicContact OD1-CZ 2.72Å; D41-R44 IonicContact OD1-NE 3.95Å; D41-R44 PolarHBondContact OD1-NE 3.08Å; D41-R44 IonicContact OD1-NH2 2.94Å; D41-R44 PolarHBondContact OD1-NH2 3.28Å; D41-A45 WeakPolarHBondContact O-CB 3.44Å; D41-A45 PolarHBondContact O-N 2.87Å
42L94.8Very high94.7Very high41 Ų4143.2 Ų43.222%0.21527%0.269CS..Hα-helixtrans-57.3-46.5172.7-68.3175000111S38 A45 E46 M75 I76 A79S38-L42 WeakPolarHBondContact O-CG 3.35Å; S38-L42 PolarHBondContact O-N 3.04Å; L42-A45 PolarHBondContact O-N 2.76Å; L42-E46 PolarHBondContact O-N 3.47Å; L42-E46 VanDerWaalsContact O-N 3.09Å; L42-M75 VanDerWaalsContact C-CE 3.5Å; L42-M75 HydrophobicContact CB-CE 4.05Å; L42-M75 HydrophobicContact CD1-CB 4.49Å; L42-M75 WeakPolarHBondContact O-CE 3.48Å; L42-I76 HydrophobicContact CD1-CG1 3.96Å; L42-A79 HydrophobicContact CD1-CB 4.29Å; L42-A79 HydrophobicContact CD2-CB 4.05Å
43L94Very high94.5Very high11 Ų1146.2 Ų46.26%0.05828%0.281CS..Hα-helixtrans-63.4-44.8176.6-67.5168.9000112.2S39 D41 A45 E46 V47 L57 M61 V67 V72 M75S39-L43 WeakPolarHBondContact O-CB 3.32Å; S39-L43 WeakPolarHBondContact O-CD1 3.38Å; S39-L43 WeakPolarHBondContact O-CG 3.25Å; S39-L43 PolarHBondContact O-N 3.36Å; D41-L43 VanDerWaalsContact C-N 3.31Å; D41-L43 PolarHBondContact O-N 3.36Å; L43-A45 VanDerWaalsContact C-N 3.35Å; L43-A45 PolarHBondContact O-N 3.45Å; L43-E46 WeakPolarHBondContact O-CB 3.47Å; L43-E46 PolarHBondContact O-N 3.24Å; L43-V47 WeakPolarHBondContact O-CG2 3.5Å; L43-V47 PolarHBondContact O-N 3.29Å; L43-L57 HydrophobicContact CD2-CD1 3.82Å; L43-L57 HydrophobicContact CD2-CD2 3.93Å; L43-L57 HydrophobicContact CD2-CG 4.42Å; L43-M61 HydrophobicContact CB-CE 4.18Å; L43-M61 HydrophobicContact CB-SD 3.7Å; L43-M61 HydrophobicContact CD1-SD 4.47Å; L43-V67 HydrophobicContact CD1-CB 4.29Å; L43-V67 HydrophobicContact CD1-CG2 3.8Å; L43-V67 HydrophobicContact CD2-CB 4.3Å; L43-V67 HydrophobicContact CD2-CG1 3.91Å; L43-V67 HydrophobicContact CD2-CG2 4.04Å; L43-V72 HydrophobicContact CD2-CG2 4.43Å; L43-M75 HydrophobicContact CD2-CE 4.39Å; L43-M75 HydrophobicContact CD2-SD 3.88Å
44R92.8Very high94.3Very high58 Ų5844.6 Ų44.622%0.21926%0.263CS..Hα-helixtrans-63.5-38.2177.2-79.9-176.4-74.4-82.1-1.9112.7G40 D41 E46 V47 A48 M61G40-R44 VanDerWaalsContact C-CZ 3.44Å; G40-R44 WeakPolarHBondContact O-CB 3.47Å; G40-R44 WeakPolarHBondContact O-CG 3.45Å; G40-R44 PolarHBondContact O-N 2.93Å; G40-R44 PolarHBondContact O-NE 2.85Å; G40-R44 PolarHBondContact O-NH1 3.19Å; G40-R44 PolarHBondContact O-NH2 2.86Å; D41-R44 PolarHBondContact O-N 2.99Å; D41-R44 IonicContact OD1-CZ 2.72Å; D41-R44 IonicContact OD1-NE 3.95Å; D41-R44 PolarHBondContact OD1-NE 3.08Å; D41-R44 IonicContact OD1-NH2 2.94Å; D41-R44 PolarHBondContact OD1-NH2 3.28Å; R44-E46 VanDerWaalsContact C-N 3.32Å; R44-V47 PolarHBondContact O-N 3.28Å; R44-A48 WeakPolarHBondContact O-CB 3.41Å; R44-A48 PolarHBondContact O-N 3.48Å; R44-M61 HydrophobicContact CG-CE 3.84Å
45A93.9Very high94.1Very high65 Ų6548.9 Ų48.954%0.53728%0.283SS..Hα-helixtrans-63.6-40.4175.800000111.2D41 L42 L43 A48 S49D41-A45 WeakPolarHBondContact O-CB 3.44Å; D41-A45 PolarHBondContact O-N 2.87Å; L42-A45 PolarHBondContact O-N 2.76Å; L43-A45 VanDerWaalsContact C-N 3.35Å; L43-A45 PolarHBondContact O-N 3.45Å; A45-A48 PolarHBondContact O-N 2.91Å; A45-S49 PolarHBondContact O-N 3.06Å
46E94.4Very high93.8Very high41 Ų4151.8 Ų51.819%0.19230%0.3CS..Hα-helixtrans-63.8-43.5173.5-174.367.3-159.700111.9L42 L43 R44 A48 S49 S51 R53 L57 M75L42-E46 PolarHBondContact O-N 3.47Å; L42-E46 VanDerWaalsContact O-N 3.09Å; L43-E46 WeakPolarHBondContact O-CB 3.47Å; L43-E46 PolarHBondContact O-N 3.24Å; R44-E46 VanDerWaalsContact C-N 3.32Å; E46-A48 VanDerWaalsContact C-N 3.31Å; E46-A48 PolarHBondContact O-N 2.92Å; E46-S49 WeakPolarHBondContact O-CB 3.37Å; E46-S49 PolarHBondContact O-N 3.14Å; E46-S49 PolarHBondContact O-OG 2.89Å; E46-S51 PolarHBondContact OE1-OG 3.22Å; E46-R53 VanDerWaalsContact CD-NE 3.25Å; E46-R53 HydrophobicContact CG-CG 4.4Å; E46-R53 IonicContact OE1-CZ 3.65Å; E46-R53 IonicContact OE1-NE 2.76Å; E46-R53 PolarHBondContact OE1-NE 3.47Å; E46-R53 VanDerWaalsContact OE1-NE 3.14Å; E46-R53 IonicContact OE1-NH2 2.65Å; E46-R53 IonicContact OE2-CZ 3.08Å; E46-R53 IonicContact OE2-NE 3.89Å; E46-R53 IonicContact OE2-NH2 2.87Å; E46-R53 PolarHBondContact OE2-NH2 3.15Å; E46-L57 HydrophobicContact CB-CD1 3.88Å; E46-L57 HydrophobicContact CG-CD1 3.57Å; E46-M75 HydrophobicContact CB-CE 3.74Å; E46-M75 HydrophobicContact CG-CE 4.35Å
47V93.3Very high93.6Very high32 Ų3249.7 Ų49.719%0.19429%0.291CS..Hα-helixtrans-57.9-45.4173.3174.50000111L43 R44 S49 G50 G54 L57 Q58 M61L43-V47 WeakPolarHBondContact O-CG2 3.5Å; L43-V47 PolarHBondContact O-N 3.29Å; R44-V47 PolarHBondContact O-N 3.28Å; V47-S49 PolarHBondContact O-N 2.97Å; V47-G50 PolarHBondContact O-N 3.17Å; V47-G50 VanDerWaalsContact O-N 3.15Å; V47-G54 WeakPolarHBondContact CG2-O 3.42Å; V47-L57 HydrophobicContact CG2-CB 3.91Å; V47-Q58 HydrophobicContact CG1-CB 3.81Å; V47-Q58 HydrophobicContact CG1-CG 3.97Å; V47-Q58 HydrophobicContact CG2-CB 4.13Å; V47-M61 HydrophobicContact CG2-SD 4.21Å
48A93.6Very high93.3Very high88 Ų8853.2 Ų53.273%0.72731%0.307SS*.Hα-helixtrans-65.5-23.1-179.900000113.5R44 A45 E46 G50R44-A48 WeakPolarHBondContact O-CB 3.41Å; R44-A48 PolarHBondContact O-N 3.48Å; A45-A48 PolarHBondContact O-N 2.91Å; E46-A48 VanDerWaalsContact C-N 3.31Å; E46-A48 PolarHBondContact O-N 2.92Å; A48-G50 PolarHBondContact O-N 3.34Å
49S93.9Very high93.1Very high75 Ų7554.7 Ų54.752%0.52432%0.319SS..THydrogen-bonded Turntrans-66.6-18.8175.179.90000113.6A45 E46 V47 S51A45-S49 PolarHBondContact O-N 3.06Å; E46-S49 WeakPolarHBondContact O-CB 3.37Å; E46-S49 PolarHBondContact O-N 3.14Å; E46-S49 PolarHBondContact O-OG 2.89Å; V47-S49 PolarHBondContact O-N 2.97Å; S49-S51 PolarHBondContact O-N 2.99Å; S49-S51 WeakPolarHBondContact OG-CB 3.39Å; S49-S51 PolarHBondContact OG-N 3.03Å; S49-S51 PolarHBondContact OG-OG 3.16Å
50G91.9Very high93.1Very high47 Ų4755.9 Ų55.949%0.48533%0.325SS..THydrogen-bonded Turntrans73.58.8-177.100000114.8V47 A48V47-G50 PolarHBondContact O-N 3.17Å; V47-G50 VanDerWaalsContact O-N 3.15Å; A48-G50 PolarHBondContact O-N 3.34Å
51S93.2Very high93Very high35 Ų3556.9 Ų56.925%0.24533%0.329CS..  trans-61.7158177.476.50000112.1E46 S49 R53 G54 K55E46-S51 PolarHBondContact OE1-OG 3.22Å; S49-S51 PolarHBondContact O-N 2.99Å; S49-S51 WeakPolarHBondContact OG-CB 3.39Å; S49-S51 PolarHBondContact OG-N 3.03Å; S49-S51 PolarHBondContact OG-OG 3.16Å; S51-R53 PolarHBondContact O-N 3.37Å; S51-G54 WeakPolarHBondContact O-CA 3.31Å; S51-G54 PolarHBondContact O-N 3.32Å; S51-G54 PolarHBondContact OG-N 2.89Å; S51-K55 PolarHBondContact O-N 2.9Å
52E92Very high92.7Very high135 Ų13558 Ų5863%0.63133%0.332SS*.Hα-helixtrans-58.7-34.9173.5-70.1-56.1131.500112K55 T56E52-K55 IonicContact OE1-NZ 3.64Å; E52-K55 PolarHBondContact OE1-NZ 2.88Å; E52-K55 IonicContact OE2-NZ 3.72Å; E52-T56 PolarHBondContact O-N 3.14Å; E52-T56 PolarHBondContact O-OG1 2.85Å
53R91.4Very high92.5Very high103 Ų10361.4 Ų61.439%0.38935%0.345SS..Hα-helixtrans-61.9-48170.1-171.6174.382.3161.66.5110.6E46 S51 K55 T56 L57E46-R53 VanDerWaalsContact CD-NE 3.25Å; E46-R53 HydrophobicContact CG-CG 4.4Å; E46-R53 IonicContact OE1-CZ 3.65Å; E46-R53 IonicContact OE1-NE 2.76Å; E46-R53 PolarHBondContact OE1-NE 3.47Å; E46-R53 VanDerWaalsContact OE1-NE 3.14Å; E46-R53 IonicContact OE1-NH2 2.65Å; E46-R53 IonicContact OE2-CZ 3.08Å; E46-R53 IonicContact OE2-NE 3.89Å; E46-R53 IonicContact OE2-NH2 2.87Å; E46-R53 PolarHBondContact OE2-NH2 3.15Å; S51-R53 PolarHBondContact O-N 3.37Å; R53-K55 VanDerWaalsContact C-N 3.33Å; R53-K55 PolarHBondContact O-N 2.95Å; R53-T56 WeakPolarHBondContact O-CB 3.36Å; R53-T56 PolarHBondContact O-N 3.04Å; R53-T56 VanDerWaalsContact O-N 3.11Å; R53-L57 HydrophobicContact CG-CD1 4.16Å; R53-L57 HydrophobicContact CG-CG 4.32Å; R53-L57 VanDerWaalsContact O-CG 3.31Å; R53-L57 WeakPolarHBondContact O-CG 3.24Å; R53-L57 PolarHBondContact O-N 3.04Å
54G93.4Very high92.1Very high1 Ų161.2 Ų61.21%0.0135%0.345CS..Hα-helixtrans-55.7-42.5177.900000113.5V47 S51 T56 L57 Q58V47-G54 WeakPolarHBondContact CG2-O 3.42Å; S51-G54 WeakPolarHBondContact O-CA 3.31Å; S51-G54 PolarHBondContact O-N 3.32Å; S51-G54 PolarHBondContact OG-N 2.89Å; G54-T56 PolarHBondContact O-N 3.26Å; G54-L57 PolarHBondContact O-N 3.39Å; G54-Q58 WeakPolarHBondContact O-CB 3.3Å; G54-Q58 PolarHBondContact O-N 3.38Å
55K92.8Very high91.9Very high111 Ų11163.3 Ų63.348%0.48336%0.358SS..Hα-helixtrans-61-43.6174.8-66.1175.3-172.8168.70112.2S51 E52 R53 Q58 A59S51-K55 PolarHBondContact O-N 2.9Å; E52-K55 IonicContact OE1-NZ 3.64Å; E52-K55 PolarHBondContact OE1-NZ 2.88Å; E52-K55 IonicContact OE2-NZ 3.72Å; R53-K55 VanDerWaalsContact C-N 3.33Å; R53-K55 PolarHBondContact O-N 2.95Å; K55-Q58 WeakPolarHBondContact O-CB 3.28Å; K55-Q58 PolarHBondContact O-N 2.88Å; K55-A59 PolarHBondContact O-N 3.49Å
56T93.3Very high91.7Very high86 Ų8662 Ų6253%0.52834%0.342SS..Hα-helixtrans-64.3-44.5177.5-56.50000111.2E52 R53 G54 Q58 A59 I60E52-T56 PolarHBondContact O-N 3.14Å; E52-T56 PolarHBondContact O-OG1 2.85Å; R53-T56 WeakPolarHBondContact O-CB 3.36Å; R53-T56 PolarHBondContact O-N 3.04Å; R53-T56 VanDerWaalsContact O-N 3.11Å; G54-T56 PolarHBondContact O-N 3.26Å; T56-Q58 VanDerWaalsContact C-N 3.34Å; T56-Q58 PolarHBondContact O-N 2.66Å; T56-A59 PolarHBondContact O-N 3.1Å; T56-I60 HydrophobicContact CG2-CD1 4.28Å; T56-I60 WeakPolarHBondContact O-CG1 3.22Å; T56-I60 PolarHBondContact O-N 2.84Å
57L93.5Very high91.6Very high5 Ų560.6 Ų60.63%0.02634%0.336CS..Hα-helixtrans-62.1-40.7176.8-66.9178.9000112L43 E46 V47 R53 G54 A59 I60 M61 V67 T71L43-L57 HydrophobicContact CD2-CD1 3.82Å; L43-L57 HydrophobicContact CD2-CD2 3.93Å; L43-L57 HydrophobicContact CD2-CG 4.42Å; E46-L57 HydrophobicContact CB-CD1 3.88Å; E46-L57 HydrophobicContact CG-CD1 3.57Å; V47-L57 HydrophobicContact CG2-CB 3.91Å; R53-L57 HydrophobicContact CG-CD1 4.16Å; R53-L57 HydrophobicContact CG-CG 4.32Å; R53-L57 VanDerWaalsContact O-CG 3.31Å; R53-L57 WeakPolarHBondContact O-CG 3.24Å; R53-L57 PolarHBondContact O-N 3.04Å; G54-L57 PolarHBondContact O-N 3.39Å; L57-A59 VanDerWaalsContact C-N 3.32Å; L57-A59 PolarHBondContact O-N 3.25Å; L57-I60 PolarHBondContact O-N 2.94Å; L57-M61 WeakPolarHBondContact O-CB 3.32Å; L57-M61 WeakPolarHBondContact O-CG 3.33Å; L57-M61 PolarHBondContact O-N 3.01Å; L57-V67 HydrophobicContact CD2-CB 4.32Å; L57-V67 HydrophobicContact CD2-CG1 3.35Å; L57-V67 HydrophobicContact CD2-CG2 3.94Å; L57-T71 HydrophobicContact CD2-CG2 4.44Å
58Q92.5Very high91.6Very high90 Ų9062.5 Ų62.542%0.42135%0.349SS..Hα-helixtrans-56.1-47.3177.3-170.7177.234.800111.6V47 G54 K55 T56 I60 M61 Q62V47-Q58 HydrophobicContact CG1-CB 3.81Å; V47-Q58 HydrophobicContact CG1-CG 3.97Å; V47-Q58 HydrophobicContact CG2-CB 4.13Å; G54-Q58 WeakPolarHBondContact O-CB 3.3Å; G54-Q58 PolarHBondContact O-N 3.38Å; K55-Q58 WeakPolarHBondContact O-CB 3.28Å; K55-Q58 PolarHBondContact O-N 2.88Å; T56-Q58 VanDerWaalsContact C-N 3.34Å; T56-Q58 PolarHBondContact O-N 2.66Å; Q58-I60 PolarHBondContact O-N 3.31Å; Q58-M61 PolarHBondContact O-N 3.17Å; Q58-Q62 WeakPolarHBondContact O-CB 3.41Å; Q58-Q62 WeakPolarHBondContact O-CG 3.38Å; Q58-Q62 PolarHBondContact O-N 3.38Å
59A92.4Very high91.5Very high44 Ų4459.6 Ų59.636%0.36432%0.321SS..Hα-helixtrans-62.8-42.3-179.600000112.5K55 T56 L57 K63K55-A59 PolarHBondContact O-N 3.49Å; T56-A59 PolarHBondContact O-N 3.1Å; L57-A59 VanDerWaalsContact C-N 3.32Å; L57-A59 PolarHBondContact O-N 3.25Å; A59-K63 WeakPolarHBondContact O-CG 3.42Å; A59-K63 PolarHBondContact O-N 2.85Å
60I92.1Very high91.4Very high30 Ų3060.1 Ų60.115%0.15432%0.318CS..Hα-helixtrans-64.7-46.5177.2-63.1169.3000110.3T56 L57 Q58 Q62 K63 G64 E65 V67T56-I60 HydrophobicContact CG2-CD1 4.28Å; T56-I60 WeakPolarHBondContact O-CG1 3.22Å; T56-I60 PolarHBondContact O-N 2.84Å; L57-I60 PolarHBondContact O-N 2.94Å; Q58-I60 PolarHBondContact O-N 3.31Å; I60-Q62 PolarHBondContact O-N 3.36Å; I60-K63 PolarHBondContact O-N 3.47Å; I60-G64 PolarHBondContact O-N 3.04Å; I60-E65 HydrophobicContact CG2-CB 3.78Å; I60-E65 PolarHBondContact O-N 3.09Å; I60-V67 HydrophobicContact CG2-CG2 4Å
61M89.5Confident91.4Very high26 Ų2659.8 Ų59.813%0.12831%0.306CS..Hα-helixtrans-65.7-40.3-176.9-70.417768.700112.8L43 R44 V47 L57 Q58 K63 G64 V67L43-M61 HydrophobicContact CB-CE 4.18Å; L43-M61 HydrophobicContact CB-SD 3.7Å; L43-M61 HydrophobicContact CD1-SD 4.47Å; R44-M61 HydrophobicContact CG-CE 3.84Å; V47-M61 HydrophobicContact CG2-SD 4.21Å; L57-M61 WeakPolarHBondContact O-CB 3.32Å; L57-M61 WeakPolarHBondContact O-CG 3.33Å; L57-M61 PolarHBondContact O-N 3.01Å; Q58-M61 PolarHBondContact O-N 3.17Å; M61-K63 PolarHBondContact O-N 3.43Å; M61-G64 PolarHBondContact O-N 2.83Å; M61-V67 HydrophobicContact CG-CG2 4.38Å
62Q88.9Confident91.5Very high94 Ų9458.7 Ų58.744%0.43930%0.298SS..Hα-helixtrans-62.4-33.3176.9-76.5175.9-1500112.3Q58 I60 G64 T145Q58-Q62 WeakPolarHBondContact O-CB 3.41Å; Q58-Q62 WeakPolarHBondContact O-CG 3.38Å; Q58-Q62 PolarHBondContact O-N 3.38Å; I60-Q62 PolarHBondContact O-N 3.36Å; Q62-G64 PolarHBondContact O-N 3.41Å; Q62-T145 PolarHBondContact O-OG1 2.94Å
63K89.8Confident91.6Very high112 Ų11252.3 Ų52.349%0.48727%0.268SS..THydrogen-bonded Turntrans-74.9-10.3174.7-66.8176.1-175.9-1790113.6A59 I60 M61 E65 K148A59-K63 WeakPolarHBondContact O-CG 3.42Å; A59-K63 PolarHBondContact O-N 2.85Å; I60-K63 PolarHBondContact O-N 3.47Å; M61-K63 PolarHBondContact O-N 3.43Å; K63-E65 VanDerWaalsContact C-N 3.3Å; K63-E65 HydrophobicContact CB-CG 3.9Å; K63-E65 WeakPolarHBondContact CD-OE1 3.47Å; K63-K148 WeakPolarHBondContact O-CD 3.48Å
64G85.1Confident91.8Very high7 Ų751 Ų517%0.07227%0.269CS..THydrogen-bonded Turntrans74.121-175.800000113.7I60 M61 Q62 L152I60-G64 PolarHBondContact O-N 3.04Å; M61-G64 PolarHBondContact O-N 2.83Å; Q62-G64 PolarHBondContact O-N 3.41Å; G64-L152 WeakPolarHBondContact O-CD2 3.18Å
65E89.8Confident91.9Very high102 Ų10251.8 Ų51.848%0.47727%0.273SS..PPolyproline II helixtrans-86.9166-178.4-69.6169.8-171.500112I60 K63I60-E65 HydrophobicContact CG2-CB 3.78Å; I60-E65 PolarHBondContact O-N 3.09Å; K63-E65 VanDerWaalsContact C-N 3.3Å; K63-E65 HydrophobicContact CB-CG 3.9Å; K63-E65 WeakPolarHBondContact CD-OE1 3.47Å
66L88.6Confident92Very high39 Ų3946.6 Ų46.620%0.20425%0.25CS..PPolyproline II helixtrans-79.8132.8171.2-67.8-180000110.7R97 E98 L152L66-R97 HydrophobicContact CD2-CB 3.93Å; L66-R97 VanDerWaalsContact CD2-CD 3.49Å; L66-R97 HydrophobicContact CD2-CG 4.38Å; L66-E98 HydrophobicContact CD1-CG 3.65Å; L66-L152 HydrophobicContact CD1-CD1 4.04Å; L66-L152 HydrophobicContact CD2-CD2 3.71Å; L66-L152 HydrophobicContact CD2-CG 4.34Å; L66-L152 HydrophobicContact CG-CD1 3.99Å; L66-L152 HydrophobicContact CG-CD2 3.64Å; L66-L152 HydrophobicContact CG-CG 4.18Å
67V92.1Very high92.1Very high10 Ų1045 Ų456%0.06124%0.236CC..PPolyproline II helixtrans-70.2143.8167177.50000109.1L43 L57 I60 M61 L69 T71 V72L43-V67 HydrophobicContact CD1-CB 4.29Å; L43-V67 HydrophobicContact CD1-CG2 3.8Å; L43-V67 HydrophobicContact CD2-CB 4.3Å; L43-V67 HydrophobicContact CD2-CG1 3.91Å; L43-V67 HydrophobicContact CD2-CG2 4.04Å; L57-V67 HydrophobicContact CD2-CB 4.32Å; L57-V67 HydrophobicContact CD2-CG1 3.35Å; L57-V67 HydrophobicContact CD2-CG2 3.94Å; I60-V67 HydrophobicContact CG2-CG2 4Å; M61-V67 HydrophobicContact CG-CG2 4.38Å; V67-L69 PolarHBondContact O-N 2.9Å; V67-T71 HydrophobicContact CG1-CG2 4.28Å; V67-V72 HydrophobicContact CB-CG2 3.75Å; V67-V72 HydrophobicContact CG1-CG2 3.69Å
68P93.1Very high92.2Very high72 Ų7249.8 Ų49.847%0.46826%0.262SS..PPolyproline II helixtrans-50.6138.7179.1-30.436.6000113.8D70 T71 V72P68-D70 PolarHBondContact O-N 3.26Å; P68-T71 PolarHBondContact O-N 3.2Å; P68-V72 PolarHBondContact O-N 3.01Å
69L92.3Very high92.4Very high27 Ų2746.4 Ų46.414%0.14125%0.249CC..Hα-helixtrans-51.1-53.8-175177.7160.5000112.6V67 T71 V72 L73 K100 Q101 E104V67-L69 PolarHBondContact O-N 2.9Å; L69-T71 VanDerWaalsContact C-N 3.28Å; L69-T71 PolarHBondContact O-N 3.39Å; L69-V72 PolarHBondContact O-N 3.41Å; L69-L73 HydrophobicContact CD2-CB 4.44Å; L69-L73 HydrophobicContact CD2-CD2 4.08Å; L69-L73 WeakPolarHBondContact O-CB 3.35Å; L69-L73 PolarHBondContact O-N 2.93Å; L69-K100 HydrophobicContact CD1-CB 4.37Å; L69-K100 HydrophobicContact CD1-CD 4.4Å; L69-K100 HydrophobicContact CD1-CG 3.97Å; L69-Q101 HydrophobicContact CB-CG 4.29Å; L69-Q101 HydrophobicContact CD1-CB 4.34Å; L69-Q101 HydrophobicContact CD1-CG 3.79Å; L69-Q101 HydrophobicContact CG-CG 3.88Å; L69-E104 HydrophobicContact CD1-CB 4.36Å; L69-E104 HydrophobicContact CD1-CG 4.07Å; L69-E104 HydrophobicContact CD2-CB 3.97Å; L69-E104 HydrophobicContact CD2-CG 4.08Å
70D92.1Very high92.6Very high87 Ų8744.3 Ų44.347%0.46523%0.232SC..Hα-helixtrans-63.5-37.7-173.4-71.4-47000111.3P68 V72 L73 D74 K108P68-D70 PolarHBondContact O-N 3.26Å; D70-V72 PolarHBondContact O-N 3.19Å; D70-L73 PolarHBondContact O-N 3.28Å; D70-D74 WeakPolarHBondContact O-CB 3.38Å; D70-D74 VanDerWaalsContact O-CG 3.3Å; D70-D74 PolarHBondContact O-N 3.19Å; D70-K108 IonicContact OD1-NZ 3.58Å; D70-K108 PolarHBondContact OD1-NZ 3.35Å
71T92.2Very high92.7Very high40 Ų4044.2 Ų44.225%0.24523%0.231CC..Hα-helixtrans-61-48.2176.2-530000111.8L57 V67 P68 L69 M75L57-T71 HydrophobicContact CD2-CG2 4.44Å; V67-T71 HydrophobicContact CG1-CG2 4.28Å; P68-T71 PolarHBondContact O-N 3.2Å; L69-T71 VanDerWaalsContact C-N 3.28Å; L69-T71 PolarHBondContact O-N 3.39Å; T71-M75 HydrophobicContact CG2-SD 4.25Å; T71-M75 VanDerWaalsContact O-CG 3.22Å; T71-M75 WeakPolarHBondContact O-CG 3.22Å; T71-M75 PolarHBondContact O-N 3.06Å
72V94.4Very high93Very high11 Ų1146.6 Ų46.67%0.06726%0.255CS..Hα-helixtrans-68.2-40-179.7-177.40000110.9L43 V67 P68 L69 D70 M75 I76 Y95L43-V72 HydrophobicContact CD2-CG2 4.43Å; V67-V72 HydrophobicContact CB-CG2 3.75Å; V67-V72 HydrophobicContact CG1-CG2 3.69Å; P68-V72 PolarHBondContact O-N 3.01Å; L69-V72 PolarHBondContact O-N 3.41Å; D70-V72 PolarHBondContact O-N 3.19Å; V72-M75 PolarHBondContact O-N 2.89Å; V72-I76 HydrophobicContact CG1-CD1 3.84Å; V72-I76 HydrophobicContact CG1-CG1 4.43Å; V72-I76 WeakPolarHBondContact O-CG1 3.42Å; V72-I76 PolarHBondContact O-N 3.43Å; V72-Y95 HydrophobicContact CB-CE2 4.42Å; V72-Y95 HydrophobicContact CG1-CD2 3.71Å; V72-Y95 HydrophobicContact CG1-CE2 3.94Å
73L95.5Very high93.3Very high1 Ų147.2 Ų47.21%0.00526%0.257CS..Hα-helixtrans-63.8-45-179.6-179.256.6000111.8L69 D70 I76 K77 E104 F105 K108 I109L69-L73 HydrophobicContact CD2-CB 4.44Å; L69-L73 HydrophobicContact CD2-CD2 4.08Å; L69-L73 WeakPolarHBondContact O-CB 3.35Å; L69-L73 PolarHBondContact O-N 2.93Å; D70-L73 PolarHBondContact O-N 3.28Å; L73-I76 PolarHBondContact O-N 3.29Å; L73-K77 WeakPolarHBondContact O-CB 3.41Å; L73-K77 PolarHBondContact O-N 2.62Å; L73-E104 HydrophobicContact CD2-CB 3.92Å; L73-F105 HydrophobicContact CD1-CB 4.04Å; L73-F105 HydrophobicContact CD1-CD2 3.79Å; L73-F105 HydrophobicContact CD1-CG 4.26Å; L73-K108 HydrophobicContact CD2-CB 4.41Å; L73-K108 HydrophobicContact CD2-CD 3.72Å; L73-K108 HydrophobicContact CD2-CG 4.39Å; L73-I109 HydrophobicContact CD1-CD1 3.51Å; L73-I109 HydrophobicContact CD1-CG1 4.28Å
74D94.1Very high93.5Very high76 Ų7643 Ų4341%0.40624%0.24SC..Hα-helixtrans-63.7-43.3177.2-72-18.7000111.2D70 I76 K77 D78D70-D74 WeakPolarHBondContact O-CB 3.38Å; D70-D74 VanDerWaalsContact O-CG 3.3Å; D70-D74 PolarHBondContact O-N 3.19Å; D74-I76 VanDerWaalsContact C-N 3.35Å; D74-I76 PolarHBondContact O-N 3.31Å; D74-K77 WeakPolarHBondContact O-CB 3.45Å; D74-K77 PolarHBondContact O-N 3.25Å; D74-D78 PolarHBondContact O-N 2.74Å
75M95.1Very high93.8Very high18 Ų1848.3 Ų48.39%0.08927%0.267CS..Hα-helixtrans-60.5-41.9176.3-70176.281.900112.6L42 L43 E46 T71 V72 A79L42-M75 VanDerWaalsContact C-CE 3.5Å; L42-M75 HydrophobicContact CB-CE 4.05Å; L42-M75 HydrophobicContact CD1-CB 4.49Å; L42-M75 WeakPolarHBondContact O-CE 3.48Å; L43-M75 HydrophobicContact CD2-CE 4.39Å; L43-M75 HydrophobicContact CD2-SD 3.88Å; E46-M75 HydrophobicContact CB-CE 3.74Å; E46-M75 HydrophobicContact CG-CE 4.35Å; T71-M75 HydrophobicContact CG2-SD 4.25Å; T71-M75 VanDerWaalsContact O-CG 3.22Å; T71-M75 WeakPolarHBondContact O-CG 3.22Å; T71-M75 PolarHBondContact O-N 3.06Å; V72-M75 PolarHBondContact O-N 2.89Å; M75-A79 WeakPolarHBondContact O-CB 3.46Å; M75-A79 PolarHBondContact O-N 3.37Å; M75-A79 VanDerWaalsContact O-N 3.17Å
76I96.7Very high94Very high1 Ų149 Ų491%0.00528%0.277CS..Hα-helixtrans-66.6-44.1176.2-67.5167000110.2L42 V72 L73 D74 D78 A79 M80 I92 Y95 F105L42-I76 HydrophobicContact CD1-CG1 3.96Å; V72-I76 HydrophobicContact CG1-CD1 3.84Å; V72-I76 HydrophobicContact CG1-CG1 4.43Å; V72-I76 WeakPolarHBondContact O-CG1 3.42Å; V72-I76 PolarHBondContact O-N 3.43Å; L73-I76 PolarHBondContact O-N 3.29Å; D74-I76 VanDerWaalsContact C-N 3.35Å; D74-I76 PolarHBondContact O-N 3.31Å; I76-D78 PolarHBondContact O-N 3.29Å; I76-A79 PolarHBondContact O-N 3.42Å; I76-M80 HydrophobicContact CG2-CG 4.26Å; I76-M80 HydrophobicContact CG2-SD 3.95Å; I76-M80 WeakPolarHBondContact O-CG 3.33Å; I76-M80 PolarHBondContact O-N 2.88Å; I76-I92 HydrophobicContact CD1-CG2 4.24Å; I76-I92 HydrophobicContact CG2-CD1 4Å; I76-I92 HydrophobicContact CG2-CG2 4.47Å; I76-Y95 HydrophobicContact CD1-CD1 4.14Å; I76-Y95 HydrophobicContact CD1-CD2 3.62Å; I76-Y95 HydrophobicContact CD1-CE2 4.08Å; I76-Y95 HydrophobicContact CD1-CG 3.63Å; I76-F105 HydrophobicContact CG2-CE2 3.86Å
77K95.5Very high94.2Very high52 Ų5248.1 Ų48.123%0.22628%0.275CS..Hα-helixtrans-58.5-48.6179.6-173.7173.7177.1173.50111.8I5 L73 D74 A79 M80 I81 I109I5-K77 HydrophobicContact CD1-CG 4.3Å; L73-K77 WeakPolarHBondContact O-CB 3.41Å; L73-K77 PolarHBondContact O-N 2.62Å; D74-K77 WeakPolarHBondContact O-CB 3.45Å; D74-K77 PolarHBondContact O-N 3.25Å; K77-A79 VanDerWaalsContact C-N 3.33Å; K77-A79 PolarHBondContact O-N 2.68Å; K77-M80 PolarHBondContact O-N 3.3Å; K77-I81 HydrophobicContact CG-CD1 4.01Å; K77-I81 WeakPolarHBondContact O-CG1 3.49Å; K77-I81 PolarHBondContact O-N 2.87Å; K77-I109 HydrophobicContact CB-CD1 3.83Å; K77-I109 HydrophobicContact CB-CG1 4.27Å; K77-I109 HydrophobicContact CD-CG1 4.28Å; K77-I109 HydrophobicContact CG-CD1 4.25Å; K77-I109 HydrophobicContact CG-CG1 4.15Å
78D94.6Very high94.4Very high107 Ų10755 Ų5557%0.57230%0.304SS*.Hα-helixtrans-62-43.1179.1-70.4-16.5000111.2D74 I76 M80 I81 A82D74-D78 PolarHBondContact O-N 2.74Å; I76-D78 PolarHBondContact O-N 3.29Å; D78-M80 VanDerWaalsContact C-N 3.35Å; D78-M80 PolarHBondContact O-N 3.14Å; D78-I81 PolarHBondContact O-N 3.37Å; D78-A82 WeakPolarHBondContact O-CB 3.3Å; D78-A82 PolarHBondContact O-N 2.9Å
79A95.8Very high94.5Very high19 Ų1951.6 Ų51.616%0.15728%0.283CS..Hα-helixtrans-64.1-37.5176.900000112.7L37 L42 M75 I76 K77L37-A79 HydrophobicContact CD1-CB 4.06Å; L37-A79 HydrophobicContact CD2-CB 3.9Å; L42-A79 HydrophobicContact CD1-CB 4.29Å; L42-A79 HydrophobicContact CD2-CB 4.05Å; M75-A79 WeakPolarHBondContact O-CB 3.46Å; M75-A79 PolarHBondContact O-N 3.37Å; M75-A79 VanDerWaalsContact O-N 3.17Å; I76-A79 PolarHBondContact O-N 3.42Å; K77-A79 VanDerWaalsContact C-N 3.33Å; K77-A79 PolarHBondContact O-N 2.68Å
80M96.6Very high94.8Very high0 Ų050.4 Ų50.40%028%0.276CS..Hα-helixtrans-65.7-47.9173.9-72177.871.300111.6I5 I10 L37 I76 K77 D78 A82 K83 V84 F90 I92 F105 I109I5-M80 HydrophobicContact CB-CE 4.48Å; I5-M80 HydrophobicContact CG2-CB 4.24Å; I10-M80 HydrophobicContact CD1-CE 3.8Å; I10-M80 HydrophobicContact CG1-CE 3.95Å; L37-M80 HydrophobicContact CD1-CB 4.33Å; L37-M80 HydrophobicContact CD1-CG 3.38Å; I76-M80 HydrophobicContact CG2-CG 4.26Å; I76-M80 HydrophobicContact CG2-SD 3.95Å; I76-M80 WeakPolarHBondContact O-CG 3.33Å; I76-M80 PolarHBondContact O-N 2.88Å; K77-M80 PolarHBondContact O-N 3.3Å; D78-M80 VanDerWaalsContact C-N 3.35Å; D78-M80 PolarHBondContact O-N 3.14Å; M80-A82 VanDerWaalsContact C-N 3.27Å; M80-A82 PolarHBondContact O-N 3.32Å; M80-K83 CarbonylContact O-C 3.59Å; M80-K83 PolarHBondContact O-N 2.76Å; M80-V84 PolarHBondContact O-N 3.02Å; M80-F90 HydrophobicContact CB-CD1 4.47Å; M80-F90 HydrophobicContact CB-CE1 4.09Å; M80-F90 HydrophobicContact CB-CZ 4.17Å; M80-F90 HydrophobicContact CE-CB 4.32Å; M80-F90 HydrophobicContact CE-CD2 3.81Å; M80-F90 HydrophobicContact CE-CE2 4.25Å; M80-F90 HydrophobicContact CE-CG 3.98Å; M80-F90 HydrophobicContact CG-CD1 3.91Å; M80-F90 HydrophobicContact CG-CE1 4.02Å; M80-F90 HydrophobicContact CG-CG 4.23Å; M80-F90 HydrophobicContact CG-CZ 4.44Å; M80-F90 WeakPolarHBondContact O-CZ 3.27Å; M80-I92 HydrophobicContact CG-CD1 4.38Å; M80-I92 HydrophobicContact SD-CD1 4.01Å; M80-F105 HydrophobicContact CE-CZ 4.37Å; M80-F105 HydrophobicContact SD-CE2 4.19Å; M80-F105 HydrophobicContact SD-CZ 3.88Å; M80-I109 HydrophobicContact CE-CG2 3.76Å; M80-I109 HydrophobicContact SD-CD1 4.37Å; M80-I109 HydrophobicContact SD-CG2 3.84Å
81I94.8Very high95.1Very high27 Ų2746.3 Ų46.314%0.13825%0.254CS..Hα-helixtrans-58.2-41.2179.1-71.1169.7000110.8M1 I5 K77 D78 K83 V84M1-I81 HydrophobicContact CE-CG2 3.59Å; M1-I81 HydrophobicContact CG-CG2 3.91Å; M1-I81 HydrophobicContact SD-CG2 3.83Å; I5-I81 HydrophobicContact CD1-CG1 4.13Å; I5-I81 HydrophobicContact CG2-CG1 4.31Å; K77-I81 HydrophobicContact CG-CD1 4.01Å; K77-I81 WeakPolarHBondContact O-CG1 3.49Å; K77-I81 PolarHBondContact O-N 2.87Å; D78-I81 PolarHBondContact O-N 3.37Å; I81-K83 PolarHBondContact O-N 2.79Å; I81-V84 WeakPolarHBondContact O-CG1 3.23Å
82A95.2Very high95.4Very high77 Ų7744.5 Ų44.564%0.63624%0.243SC*.THydrogen-bonded Turntrans-64.9-1817900000114.3D78 M80D78-A82 WeakPolarHBondContact O-CB 3.3Å; D78-A82 PolarHBondContact O-N 2.9Å; M80-A82 VanDerWaalsContact C-N 3.27Å; M80-A82 PolarHBondContact O-N 3.32Å
83K95.5Very high95.6Very high107 Ų10744.4 Ų44.447%0.46524%0.242SC..THydrogen-bonded Turntrans-120.5-3.2-174.6-62.1-63.2-176.7-176.10114T35 M80 I81 D85 V86 S87 F90T35-K83 HydrophobicContact CG2-CB 4.11Å; T35-K83 HydrophobicContact CG2-CG 4.11Å; M80-K83 CarbonylContact O-C 3.59Å; M80-K83 PolarHBondContact O-N 2.76Å; I81-K83 PolarHBondContact O-N 2.79Å; K83-D85 VanDerWaalsContact C-N 3.26Å; K83-D85 PolarHBondContact O-N 3.13Å; K83-V86 HydrophobicContact CD-CG2 4.38Å; K83-V86 WeakPolarHBondContact O-CG2 3.41Å; K83-V86 PolarHBondContact O-N 3.3Å; K83-V86 VanDerWaalsContact O-N 3.13Å; K83-S87 VanDerWaalsContact O-CB 3.22Å; K83-S87 WeakPolarHBondContact O-CB 3.41Å; K83-S87 PolarHBondContact O-N 2.83Å; K83-F90 HydrophobicContact CB-CE1 4.04Å; K83-F90 HydrophobicContact CB-CZ 4.34Å
84V93.9Very high95.3Very high24 Ų2444.8 Ų44.815%0.14525%0.246CC..THydrogen-bonded Turntrans-59.4-35.7-172.871.40000113.3K4 I5 M80 I81 V86 F90K4-V84 HydrophobicContact CB-CG1 3.98Å; K4-V84 HydrophobicContact CB-CG2 4.04Å; K4-V84 HydrophobicContact CD-CG1 4.05Å; K4-V84 VanDerWaalsContact O-CG2 3.31Å; K4-V84 WeakPolarHBondContact O-CG2 3.33Å; I5-V84 HydrophobicContact CB-CG2 4.47Å; I5-V84 HydrophobicContact CG2-CB 3.82Å; I5-V84 HydrophobicContact CG2-CG1 4.48Å; I5-V84 HydrophobicContact CG2-CG2 3.6Å; M80-V84 PolarHBondContact O-N 3.02Å; I81-V84 WeakPolarHBondContact O-CG1 3.23Å; V84-V86 VanDerWaalsContact C-N 3.26Å; V84-V86 PolarHBondContact O-N 2.88Å; V84-F90 HydrophobicContact CB-CZ 4.46Å
85D92.1Very high95.4Very high118 Ų11841.3 Ų41.363%0.63123%0.227SC*.THydrogen-bonded Turntrans-75.8-12.3-176.3-67.3-39.2000113.4K4 K83K4-D85 VanDerWaalsContact NZ-CG 3.3Å; K4-D85 IonicContact NZ-OD1 2.72Å; K4-D85 PolarHBondContact NZ-OD1 3.25Å; K4-D85 IonicContact NZ-OD2 3.95Å; K4-D85 PolarHBondContact NZ-OD2 2.84Å; K4-D85 VanDerWaalsContact NZ-OD2 3.08Å; K83-D85 VanDerWaalsContact C-N 3.26Å; K83-D85 PolarHBondContact O-N 3.13Å
86V93.2Very high95.5Very high115 Ų11540.5 Ų40.570%0.69722%0.223SC*.THydrogen-bonded Turntrans-120.9-18.4-178.1-61.30000113.8K83 V84K83-V86 HydrophobicContact CD-CG2 4.38Å; K83-V86 WeakPolarHBondContact O-CG2 3.41Å; K83-V86 PolarHBondContact O-N 3.3Å; K83-V86 VanDerWaalsContact O-N 3.13Å; V84-V86 VanDerWaalsContact C-N 3.26Å; V84-V86 PolarHBondContact O-N 2.88Å
87S94.3Very high95.5Very high22 Ų2244.1 Ų44.115%0.15424%0.237CC..  trans-79.1137.9-174.8-172.40000112T35 K83 G89T35-S87 WeakPolarHBondContact CB-OG 3.43Å; T35-S87 WeakPolarHBondContact OG1-CB 3.38Å; T35-S87 PolarHBondContact OG1-OG 3.14Å; K83-S87 VanDerWaalsContact O-CB 3.22Å; K83-S87 WeakPolarHBondContact O-CB 3.41Å; K83-S87 PolarHBondContact O-N 2.83Å; S87-G89 VanDerWaalsContact C-N 3.32Å; S87-G89 PolarHBondContact OG-N 2.81Å; S87-G89 PolarHBondContact OG-O 3.24Å
88K94.9Very high95.5Very high153 Ų15345.2 Ų45.267%0.66524%0.243SC*.SBendtrans-83.7-8.8169.5-63.7-175.5176.2-1790113.7Y32 G33 Y34Y32-K88 WeakPolarHBondContact O-CD 3.31Å; G33-K88 WeakPolarHBondContact O-CB 3.35Å; G33-K88 PolarHBondContact O-N 2.81Å; Y34-K88 HydrophobicContact CD1-CB 4.26Å; Y34-K88 HydrophobicContact CE1-CB 4.44Å
89G96.6Very high95.6Very high2 Ų242 Ų422%0.02123%0.228CC..  trans163.4160.5-177.500000110.8K9 Y34 T35 S87K9-G89 CarbonylContact O-C 3.52Å; K9-G89 VanDerWaalsContact O-CA 3.28Å; K9-G89 WeakPolarHBondContact O-CA 3.44Å; Y34-G89 CarbonylContact C-O 3.58Å; Y34-G89 VanDerWaalsContact CA-O 3.27Å; Y34-G89 WeakPolarHBondContact CA-O 3.44Å; Y34-G89 WeakPolarHBondContact CB-O 3.29Å; T35-G89 PolarHBondContact N-O 3.01Å; S87-G89 VanDerWaalsContact C-N 3.32Å; S87-G89 PolarHBondContact OG-N 2.81Å; S87-G89 PolarHBondContact OG-O 3.24Å
90F98.3Very high95.7Very high2 Ų247.5 Ų47.51%0.00925%0.248CC..EExtended strand (participates in β ladder)trans-112.4131.5-175.7-68.4-83.4000111.5A8 K9 I11 T35 L37 M80 K83 V84 I92A8-F90 HydrophobicContact CB-CD2 3.86Å; A8-F90 HydrophobicContact CB-CE2 3.9Å; K9-F90 PolarHBondContact O-N 3Å; I11-F90 PolarHBondContact N-O 3.27Å; T35-F90 HydrophobicContact CG2-CD1 4.18Å; T35-F90 HydrophobicContact CG2-CE1 4.11Å; T35-F90 WeakPolarHBondContact O-CA 3.46Å; L37-F90 HydrophobicContact CD1-CD1 3.77Å; L37-F90 HydrophobicContact CD1-CE1 4.18Å; L37-F90 HydrophobicContact CG-CD1 4.31Å; M80-F90 HydrophobicContact CB-CD1 4.47Å; M80-F90 HydrophobicContact CB-CE1 4.09Å; M80-F90 HydrophobicContact CB-CZ 4.17Å; M80-F90 HydrophobicContact CE-CB 4.32Å; M80-F90 HydrophobicContact CE-CD2 3.81Å; M80-F90 HydrophobicContact CE-CE2 4.25Å; M80-F90 HydrophobicContact CE-CG 3.98Å; M80-F90 HydrophobicContact CG-CD1 3.91Å; M80-F90 HydrophobicContact CG-CE1 4.02Å; M80-F90 HydrophobicContact CG-CG 4.23Å; M80-F90 HydrophobicContact CG-CZ 4.44Å; M80-F90 WeakPolarHBondContact O-CZ 3.27Å; K83-F90 HydrophobicContact CB-CE1 4.04Å; K83-F90 HydrophobicContact CB-CZ 4.34Å; V84-F90 HydrophobicContact CB-CZ 4.46Å; F90-I92 HydrophobicContact CB-CD1 4Å
91L98.6Very high95.7Very high1 Ų147.8 Ų47.81%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-101.2111.4166.9-57.6163.6000107.7I11 V13 C25 V28 V29 Y34 T35 H36 L37I11-L91 HydrophobicContact CB-CD2 4.04Å; I11-L91 HydrophobicContact CD1-CD2 4.31Å; I11-L91 HydrophobicContact CG2-CD2 4.18Å; V13-L91 HydrophobicContact CG2-CB 4.31Å; V13-L91 HydrophobicContact CG2-CD2 4.18Å; C25-L91 HydrophobicContact CB-CD1 4.07Å; V28-L91 HydrophobicContact CB-CD1 3.71Å; V28-L91 HydrophobicContact CG1-CD1 3.6Å; V28-L91 HydrophobicContact CG1-CD2 3.91Å; V28-L91 HydrophobicContact CG1-CG 4.22Å; V29-L91 HydrophobicContact CG2-CD1 4.2Å; Y34-L91 HydrophobicContact CD2-CD2 4.14Å; Y34-L91 HydrophobicContact CD2-CG 4.15Å; T35-L91 PolarHBondContact O-N 3.19Å; H36-L91 HydrophobicContact CB-CD1 4.44Å; L37-L91 PolarHBondContact N-O 3.42Å
92I98.4Very high95.8Very high1 Ų146.5 Ų46.51%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-96.997.3179-51.3-55.7000107.3I10 I11 F12 V13 L37 I76 M80 F90 Y95 F105I10-I92 HydrophobicContact CG2-CG1 3.97Å; I11-I92 PolarHBondContact O-N 2.63Å; F12-I92 HydrophobicContact CD1-CB 3.87Å; F12-I92 HydrophobicContact CD1-CG1 4.2Å; F12-I92 HydrophobicContact CD1-CG2 4.28Å; F12-I92 HydrophobicContact CE1-CB 4.26Å; F12-I92 HydrophobicContact CE1-CG1 4.29Å; F12-I92 HydrophobicContact CE1-CG2 4.37Å; V13-I92 PolarHBondContact N-O 3.43Å; L37-I92 HydrophobicContact CB-CD1 4.22Å; L37-I92 HydrophobicContact CD1-CD1 4.06Å; I76-I92 HydrophobicContact CD1-CG2 4.24Å; I76-I92 HydrophobicContact CG2-CD1 4Å; I76-I92 HydrophobicContact CG2-CG2 4.47Å; M80-I92 HydrophobicContact CG-CD1 4.38Å; M80-I92 HydrophobicContact SD-CD1 4.01Å; F90-I92 HydrophobicContact CB-CD1 4Å; I92-Y95 HydrophobicContact CG2-CD1 4.08Å; I92-Y95 HydrophobicContact CG2-CG 4.3Å; I92-F105 HydrophobicContact CG1-CE2 4.39Å; I92-F105 HydrophobicContact CG1-CZ 4.19Å; I92-F105 HydrophobicContact CG2-CE2 4.49Å
93D97.6Very high95.9Very high10 Ų1046.1 Ų46.15%0.05323%0.228CC..EExtended strand (participates in β ladder)trans-93.4128.9-173.5166.235.7000111.9K21 H36 L37 S38 S39 Y95K21-D93 VanDerWaalsContact CB-OD1 3.27Å; K21-D93 WeakPolarHBondContact CB-OD1 3.48Å; K21-D93 WeakPolarHBondContact CD-OD1 3.43Å; K21-D93 VanDerWaalsContact CE-OD1 3.22Å; K21-D93 WeakPolarHBondContact CE-OD1 3.35Å; H36-D93 IonicContact CE1-OD2 2.71Å; H36-D93 VanDerWaalsContact NE2-CB 3.3Å; H36-D93 WeakPolarHBondContact NE2-CB 3.28Å; H36-D93 IonicContact NE2-OD2 3.94Å; H36-D93 PolarHBondContact NE2-OD2 2.91Å; L37-D93 PolarHBondContact O-N 2.79Å; S38-D93 WeakPolarHBondContact CA-O 3.49Å; S38-D93 WeakPolarHBondContact CB-OD2 3.43Å; S38-D93 PolarHBondContact OG-OD2 3.15Å; S39-D93 PolarHBondContact N-O 2.77Å; S39-D93 PolarHBondContact OG-O 3.18Å; D93-Y95 VanDerWaalsContact C-N 3.29Å
94G89.8Confident96Very high9 Ų942.8 Ų42.89%0.09321%0.214CC..THydrogen-bonded Turntrans73.823.4178.600000113.1V13 S39 R97V13-G94 PolarHBondContact O-N 3.39Å; V13-G94 VanDerWaalsContact O-N 3.15Å; S39-G94 PolarHBondContact OG-O 2.73Å; G94-R97 VanDerWaalsContact O-CG 3.31Å; G94-R97 WeakPolarHBondContact O-CG 3.5Å; G94-R97 PolarHBondContact O-NE 2.89Å
95Y96.4Very high96.2Very high2 Ų241.7 Ų41.71%0.00821%0.207CC..  trans-149145.8172.7-174.8-75.6000109V72 I76 I92 D93 Q101 F105V72-Y95 HydrophobicContact CB-CE2 4.42Å; V72-Y95 HydrophobicContact CG1-CD2 3.71Å; V72-Y95 HydrophobicContact CG1-CE2 3.94Å; I76-Y95 HydrophobicContact CD1-CD1 4.14Å; I76-Y95 HydrophobicContact CD1-CD2 3.62Å; I76-Y95 HydrophobicContact CD1-CE2 4.08Å; I76-Y95 HydrophobicContact CD1-CG 3.63Å; I92-Y95 HydrophobicContact CG2-CD1 4.08Å; I92-Y95 HydrophobicContact CG2-CG 4.3Å; D93-Y95 VanDerWaalsContact C-N 3.29Å; Y95-Q101 HydrophobicContact CE1-CB 4.24Å; Y95-Q101 HydrophobicContact CE2-CB 3.87Å; Y95-Q101 HydrophobicContact CE2-CG 4.19Å; Y95-Q101 PolarHBondContact OH-O 2.88Å; Y95-F105 HydrophobicContact CD1-CD2 4.15Å; Y95-F105 HydrophobicContact CE1-CB 3.75Å; Y95-F105 AromaticContact CE1-CD2 3.58Å; Y95-F105 HydrophobicContact CE1-CD2 3.58Å; Y95-F105 AromaticContact CE1-CG 3.98Å; Y95-F105 HydrophobicContact CE1-CG 3.98Å
96P97.3Very high96.3Very high1 Ų138.2 Ų38.21%0.00619%0.187CC..  cis-74.6149.9-6.627.1-28.8000112F12 Q101 G102 V160 Y164F12-P96 HydrophobicContact CD2-CG 3.94Å; F12-P96 HydrophobicContact CE2-CG 3.85Å; P96-Q101 HydrophobicContact CB-CB 3.69Å; P96-G102 VanDerWaalsContact CB-N 3.34Å; P96-V160 HydrophobicContact CG-CG1 3.78Å; P96-Y164 HydrophobicContact CG-CE2 4.08Å
97R95.5Very high96.4Very high77 Ų7739.7 Ų39.729%0.29118%0.184SC..SBendtrans-101.9-9.1175.2-64.7-168.3-178.2-168.66.3113.7L66 G94 A156 T157L66-R97 HydrophobicContact CD2-CB 3.93Å; L66-R97 VanDerWaalsContact CD2-CD 3.49Å; L66-R97 HydrophobicContact CD2-CG 4.38Å; G94-R97 VanDerWaalsContact O-CG 3.31Å; G94-R97 WeakPolarHBondContact O-CG 3.5Å; G94-R97 PolarHBondContact O-NE 2.89Å; R97-A156 CarbonylContact O-C 3.1Å; R97-A156 VanDerWaalsContact O-O 3.05Å; R97-T157 WeakPolarHBondContact CA-OG1 3.15Å; R97-T157 WeakPolarHBondContact O-CA 3.45Å; R97-T157 WeakPolarHBondContact O-CB 3.36Å; R97-T157 PolarHBondContact O-N 2.92Å; R97-T157 PolarHBondContact O-OG1 3.48Å
98E96.1Very high96.3Very high76 Ų7642.6 Ų42.636%0.35519%0.194SC..SBendtrans-142.5152.8175-67.1176.3128.700108.7L66 K100 Q101 G102 A156 V160L66-E98 HydrophobicContact CD1-CG 3.65Å; E98-K100 VanDerWaalsContact C-N 3.29Å; E98-K100 PolarHBondContact O-N 2.99Å; E98-Q101 HydrophobicContact CB-CG 4.16Å; E98-Q101 WeakPolarHBondContact O-CB 3.22Å; E98-Q101 PolarHBondContact O-N 3.23Å; E98-G102 PolarHBondContact O-N 3.02Å; E98-A156 HydrophobicContact CG-CB 4.03Å; E98-V160 VanDerWaalsContact C-CG2 3.45Å
99V96.9Very high96.3Very high40 Ų4035.7 Ų35.724%0.24216%0.164CC..Hα-helixtrans-56.5-44.8-178.9175.40000111.5Q101 G102 E103 P159 V160 F163V99-Q101 PolarHBondContact O-N 3.4Å; V99-G102 WeakPolarHBondContact O-CA 3.48Å; V99-G102 PolarHBondContact O-N 3.23Å; V99-E103 HydrophobicContact CG1-CG 4.41Å; V99-E103 PolarHBondContact O-N 3.3Å; V99-P159 HydrophobicContact CG2-CB 4.17Å; V99-V160 HydrophobicContact CG2-CG2 4.39Å; V99-F163 HydrophobicContact CG1-CB 4.37Å; V99-F163 HydrophobicContact CG1-CD1 4.23Å; V99-F163 HydrophobicContact CG1-CD2 3.59Å; V99-F163 HydrophobicContact CG1-CE1 4.32Å; V99-F163 HydrophobicContact CG1-CE2 3.69Å; V99-F163 HydrophobicContact CG1-CG 3.83Å; V99-F163 HydrophobicContact CG1-CZ 4.02Å; V99-F163 HydrophobicContact CG2-CB 4.15Å; V99-F163 HydrophobicContact CG2-CG 4.49Å
100K97.1Very high96.1Very high134 Ų13436.1 Ų36.158%0.58317%0.168SC*.Hα-helixtrans-59.6-32.9179.2-169.4177.4-179-178.70113L69 E98 E103 E104L69-K100 HydrophobicContact CD1-CB 4.37Å; L69-K100 HydrophobicContact CD1-CD 4.4Å; L69-K100 HydrophobicContact CD1-CG 3.97Å; E98-K100 VanDerWaalsContact C-N 3.29Å; E98-K100 PolarHBondContact O-N 2.99Å; K100-E103 PolarHBondContact O-N 3.11Å; K100-E104 HydrophobicContact CG-CG 4.45Å; K100-E104 WeakPolarHBondContact O-CG 3.41Å; K100-E104 PolarHBondContact O-N 2.58Å
101Q97.6Very high96Very high5 Ų539.2 Ų39.22%0.02319%0.194CC..Hα-helixtrans-63.4-44.4174.4-68.7-176.4-5.700110.7L69 Y95 P96 E98 V99 E104 F105L69-Q101 HydrophobicContact CB-CG 4.29Å; L69-Q101 HydrophobicContact CD1-CB 4.34Å; L69-Q101 HydrophobicContact CD1-CG 3.79Å; L69-Q101 HydrophobicContact CG-CG 3.88Å; Y95-Q101 HydrophobicContact CE1-CB 4.24Å; Y95-Q101 HydrophobicContact CE2-CB 3.87Å; Y95-Q101 HydrophobicContact CE2-CG 4.19Å; Y95-Q101 PolarHBondContact OH-O 2.88Å; P96-Q101 HydrophobicContact CB-CB 3.69Å; E98-Q101 HydrophobicContact CB-CG 4.16Å; E98-Q101 WeakPolarHBondContact O-CB 3.22Å; E98-Q101 PolarHBondContact O-N 3.23Å; V99-Q101 PolarHBondContact O-N 3.4Å; Q101-E104 PolarHBondContact O-N 2.72Å; Q101-F105 WeakPolarHBondContact O-CB 3.24Å; Q101-F105 PolarHBondContact O-N 3.48Å
102G97.5Very high95.9Very high0 Ų039.7 Ų39.70%020%0.197CC..Hα-helixtrans-59.8-48175.300000112P96 E98 V99 E104 F105 E106 Y164P96-G102 VanDerWaalsContact CB-N 3.34Å; E98-G102 PolarHBondContact O-N 3.02Å; V99-G102 WeakPolarHBondContact O-CA 3.48Å; V99-G102 PolarHBondContact O-N 3.23Å; G102-E104 PolarHBondContact O-N 3.48Å; G102-F105 WeakPolarHBondContact O-CB 3.4Å; G102-F105 PolarHBondContact O-N 3.45Å; G102-E106 WeakPolarHBondContact O-CG 3.41Å; G102-E106 PolarHBondContact O-N 2.91Å; G102-Y164 VanDerWaalsContact CA-OH 3.27Å; G102-Y164 WeakPolarHBondContact CA-OH 3.18Å
103E97.4Very high95.8Very high70 Ų7042.1 Ų42.133%0.32721%0.214SC..Hα-helixtrans-58.9-45.3178.3-65.2177.4143.300112.9V99 K100 E106 K107 F163V99-E103 HydrophobicContact CG1-CG 4.41Å; V99-E103 PolarHBondContact O-N 3.3Å; K100-E103 PolarHBondContact O-N 3.11Å; E103-E106 PolarHBondContact O-N 3.03Å; E103-K107 VanDerWaalsContact O-CG 3.29Å; E103-K107 WeakPolarHBondContact O-CG 3.27Å; E103-K107 PolarHBondContact O-N 2.88Å; E103-K107 VanDerWaalsContact O-N 3.11Å; E103-F163 HydrophobicContact CG-CE1 4.47Å; E103-F163 HydrophobicContact CG-CZ 3.83Å
104E97.4Very high95.8Very high37 Ų3741.8 Ų41.817%0.17321%0.212CC..Hα-helixtrans-69.9-34.7179.4-70.6-56.9124.500112.5L69 L73 K100 Q101 G102 K107 K108L69-E104 HydrophobicContact CD1-CB 4.36Å; L69-E104 HydrophobicContact CD1-CG 4.07Å; L69-E104 HydrophobicContact CD2-CB 3.97Å; L69-E104 HydrophobicContact CD2-CG 4.08Å; L73-E104 HydrophobicContact CD2-CB 3.92Å; K100-E104 HydrophobicContact CG-CG 4.45Å; K100-E104 WeakPolarHBondContact O-CG 3.41Å; K100-E104 PolarHBondContact O-N 2.58Å; Q101-E104 PolarHBondContact O-N 2.72Å; G102-E104 PolarHBondContact O-N 3.48Å; E104-K107 PolarHBondContact O-N 2.96Å; E104-K107 IonicContact OE1-NZ 2.89Å; E104-K107 PolarHBondContact OE1-NZ 3.43Å; E104-K108 WeakPolarHBondContact O-CB 3.47Å; E104-K108 WeakPolarHBondContact O-CG 3.33Å; E104-K108 PolarHBondContact O-N 3.24Å; E104-K108 VanDerWaalsContact OE2-CE 3.3Å; E104-K108 WeakPolarHBondContact OE2-CE 3.31Å; E104-K108 IonicContact OE2-NZ 2.72Å
105F96.9Very high96.3Very high0 Ų041.3 Ų41.30%021%0.208CC..Hα-helixtrans-61.1-47.4172.3-175.1-74000111.3I10 F12 L73 I76 M80 I92 Y95 Q101 G102 K107 K108 I109 G110I10-F105 HydrophobicContact CD1-CE1 3.93Å; I10-F105 HydrophobicContact CD1-CZ 4.24Å; I10-F105 HydrophobicContact CG2-CE1 3.92Å; I10-F105 HydrophobicContact CG2-CZ 4.01Å; F12-F105 AromaticContact CE1-CD1 3.79Å; F12-F105 HydrophobicContact CE1-CD1 3.79Å; F12-F105 HydrophobicContact CE1-CD2 4.33Å; F12-F105 AromaticContact CE1-CE1 3.67Å; F12-F105 HydrophobicContact CE1-CE1 3.67Å; F12-F105 HydrophobicContact CE1-CE2 4.22Å; F12-F105 HydrophobicContact CE1-CG 4.15Å; F12-F105 AromaticContact CE1-CZ 3.9Å; F12-F105 HydrophobicContact CE1-CZ 3.9Å; F12-F105 HydrophobicContact CZ-CB 4.32Å; F12-F105 AromaticContact CZ-CD1 3.48Å; F12-F105 HydrophobicContact CZ-CD1 3.48Å; F12-F105 VanDerWaalsContact CZ-CD1 3.48Å; F12-F105 HydrophobicContact CZ-CD2 4.4Å; F12-F105 AromaticContact CZ-CE1 3.84Å; F12-F105 HydrophobicContact CZ-CE1 3.84Å; F12-F105 AromaticContact CZ-CG 3.82Å; F12-F105 HydrophobicContact CZ-CG 3.82Å; F12-F105 HydrophobicContact CZ-CZ 4.44Å; L73-F105 HydrophobicContact CD1-CB 4.04Å; L73-F105 HydrophobicContact CD1-CD2 3.79Å; L73-F105 HydrophobicContact CD1-CG 4.26Å; I76-F105 HydrophobicContact CG2-CE2 3.86Å; M80-F105 HydrophobicContact CE-CZ 4.37Å; M80-F105 HydrophobicContact SD-CE2 4.19Å; M80-F105 HydrophobicContact SD-CZ 3.88Å; I92-F105 HydrophobicContact CG1-CE2 4.39Å; I92-F105 HydrophobicContact CG1-CZ 4.19Å; I92-F105 HydrophobicContact CG2-CE2 4.49Å; Y95-F105 HydrophobicContact CD1-CD2 4.15Å; Y95-F105 HydrophobicContact CE1-CB 3.75Å; Y95-F105 AromaticContact CE1-CD2 3.58Å; Y95-F105 HydrophobicContact CE1-CD2 3.58Å; Y95-F105 AromaticContact CE1-CG 3.98Å; Y95-F105 HydrophobicContact CE1-CG 3.98Å; Q101-F105 WeakPolarHBondContact O-CB 3.24Å; Q101-F105 PolarHBondContact O-N 3.48Å; G102-F105 WeakPolarHBondContact O-CB 3.4Å; G102-F105 PolarHBondContact O-N 3.45Å; F105-K107 VanDerWaalsContact C-N 3.31Å; F105-K107 PolarHBondContact O-N 3.47Å; F105-K108 PolarHBondContact O-N 3.4Å; F105-I109 HydrophobicContact CD1-CB 4.19Å; F105-I109 HydrophobicContact CD1-CG2 4.46Å; F105-I109 HydrophobicContact CD2-CD1 3.68Å; F105-I109 HydrophobicContact CE1-CB 4Å; F105-I109 HydrophobicContact CE1-CG2 3.78Å; F105-I109 HydrophobicContact CE2-CB 4.42Å; F105-I109 HydrophobicContact CE2-CD1 3.53Å; F105-I109 HydrophobicContact CE2-CG2 4.28Å; F105-I109 HydrophobicContact CG-CB 4.47Å; F105-I109 HydrophobicContact CG-CD1 4.3Å; F105-I109 HydrophobicContact CZ-CB 4.12Å; F105-I109 HydrophobicContact CZ-CD1 4.03Å; F105-I109 HydrophobicContact CZ-CG2 3.66Å; F105-I109 WeakPolarHBondContact O-CA 3.35Å; F105-I109 WeakPolarHBondContact O-CB 3.49Å; F105-I109 PolarHBondContact O-N 3.41Å; F105-G110 VanDerWaalsContact CD1-O 3.24Å; F105-G110 WeakPolarHBondContact CD1-O 3.43Å; F105-G110 VanDerWaalsContact CE1-O 3.22Å; F105-G110 WeakPolarHBondContact CE1-O 3.4Å; F105-G110 PolarHBondContact O-N 3.11Å
106E95.5Very high96.4Very high46 Ų4641.4 Ų41.422%0.21521%0.208CC..Hα-helixtrans-60.8-40.3178.7-67.6-179.4-132.700112.2G102 E103 Y164 R167G102-E106 WeakPolarHBondContact O-CG 3.41Å; G102-E106 PolarHBondContact O-N 2.91Å; E103-E106 PolarHBondContact O-N 3.03Å; E106-Y164 WeakPolarHBondContact OE1-CE1 3.47Å; E106-Y164 VanDerWaalsContact OE1-CZ 3.25Å; E106-Y164 PolarHBondContact OE1-OH 3.48Å; E106-R167 IonicContact OE1-CZ 3.78Å; E106-R167 IonicContact OE1-NH1 2.66Å; E106-R167 PolarHBondContact OE1-NH1 2.99Å; E106-R167 IonicContact OE1-NH2 3.77Å; E106-R167 IonicContact OE2-CZ 3.04Å; E106-R167 IonicContact OE2-NH1 3.4Å; E106-R167 PolarHBondContact OE2-NH1 3.29Å
107K94.4Very high96.4Very high145 Ų14542 Ų4263%0.6321%0.211SC*.Hα-helixtrans-68-43.4178-69.5170.8-162.5168.10113E103 E104 F105E103-K107 VanDerWaalsContact O-CG 3.29Å; E103-K107 WeakPolarHBondContact O-CG 3.27Å; E103-K107 PolarHBondContact O-N 2.88Å; E103-K107 VanDerWaalsContact O-N 3.11Å; E104-K107 PolarHBondContact O-N 2.96Å; E104-K107 IonicContact OE1-NZ 2.89Å; E104-K107 PolarHBondContact OE1-NZ 3.43Å; F105-K107 VanDerWaalsContact C-N 3.31Å; F105-K107 PolarHBondContact O-N 3.47Å
108K92.8Very high96.6Very high83 Ų8338.4 Ų38.436%0.36120%0.197SC..Hα-helixtrans-96.1-19.6-169.7-61.9-169.3-163.3170.90114.2D70 L73 E104 F105D70-K108 IonicContact OD1-NZ 3.58Å; D70-K108 PolarHBondContact OD1-NZ 3.35Å; L73-K108 HydrophobicContact CD2-CB 4.41Å; L73-K108 HydrophobicContact CD2-CD 3.72Å; L73-K108 HydrophobicContact CD2-CG 4.39Å; E104-K108 WeakPolarHBondContact O-CB 3.47Å; E104-K108 WeakPolarHBondContact O-CG 3.33Å; E104-K108 PolarHBondContact O-N 3.24Å; E104-K108 VanDerWaalsContact OE2-CE 3.3Å; E104-K108 WeakPolarHBondContact OE2-CE 3.31Å; E104-K108 IonicContact OE2-NZ 2.72Å; F105-K108 PolarHBondContact O-N 3.4Å
109I93.7Very high96.6Very high8 Ų836.5 Ų36.54%0.04119%0.189CC..THydrogen-bonded Turntrans-125.1-67.1-175.1-63.1175.9000110.5I5 I10 L73 K77 M80 F105I5-I109 HydrophobicContact CD1-CG1 4.49Å; I5-I109 HydrophobicContact CD1-CG2 3.87Å; I5-I109 HydrophobicContact CG1-CG2 4.44Å; I10-I109 HydrophobicContact CD1-CG2 4.19Å; L73-I109 HydrophobicContact CD1-CD1 3.51Å; L73-I109 HydrophobicContact CD1-CG1 4.28Å; K77-I109 HydrophobicContact CB-CD1 3.83Å; K77-I109 HydrophobicContact CB-CG1 4.27Å; K77-I109 HydrophobicContact CD-CG1 4.28Å; K77-I109 HydrophobicContact CG-CD1 4.25Å; K77-I109 HydrophobicContact CG-CG1 4.15Å; M80-I109 HydrophobicContact CE-CG2 3.76Å; M80-I109 HydrophobicContact SD-CD1 4.37Å; M80-I109 HydrophobicContact SD-CG2 3.84Å; F105-I109 HydrophobicContact CD1-CB 4.19Å; F105-I109 HydrophobicContact CD1-CG2 4.46Å; F105-I109 HydrophobicContact CD2-CD1 3.68Å; F105-I109 HydrophobicContact CE1-CB 4Å; F105-I109 HydrophobicContact CE1-CG2 3.78Å; F105-I109 HydrophobicContact CE2-CB 4.42Å; F105-I109 HydrophobicContact CE2-CD1 3.53Å; F105-I109 HydrophobicContact CE2-CG2 4.28Å; F105-I109 HydrophobicContact CG-CB 4.47Å; F105-I109 HydrophobicContact CG-CD1 4.3Å; F105-I109 HydrophobicContact CZ-CB 4.12Å; F105-I109 HydrophobicContact CZ-CD1 4.03Å; F105-I109 HydrophobicContact CZ-CG2 3.66Å; F105-I109 WeakPolarHBondContact O-CA 3.35Å; F105-I109 WeakPolarHBondContact O-CB 3.49Å; F105-I109 PolarHBondContact O-N 3.41Å
110G93.7Very high96.6Very high11 Ų1135.1 Ų35.111%0.11318%0.182CC..  trans163161.2-175.900000113.1F105F105-G110 VanDerWaalsContact CD1-O 3.24Å; F105-G110 WeakPolarHBondContact CD1-O 3.43Å; F105-G110 VanDerWaalsContact CE1-O 3.22Å; F105-G110 WeakPolarHBondContact CE1-O 3.4Å; F105-G110 PolarHBondContact O-N 3.11Å
111A95Very high96.6Very high67 Ų6735.3 Ų35.355%0.55418%0.183SC*.  trans-77.2139.2-176.900000112.7
112P97Very high96.5Very high11 Ų1136.1 Ų36.17%0.07119%0.193CC..  trans-69.2137.6170.831.9-36.9000110.3I10 F12 Y164 I169I10-P112 HydrophobicContact CG2-CB 4.38Å; I10-P112 CarbonylContact O-C 3.48Å; I10-P112 VanDerWaalsContact O-CA 3.31Å; I10-P112 WeakPolarHBondContact O-CA 3.29Å; F12-P112 HydrophobicContact CD1-CB 4.12Å; F12-P112 HydrophobicContact CD2-CB 3.8Å; F12-P112 HydrophobicContact CD2-CG 3.68Å; F12-P112 HydrophobicContact CE1-CB 4.26Å; F12-P112 HydrophobicContact CE2-CB 3.93Å; F12-P112 HydrophobicContact CE2-CG 3.52Å; F12-P112 HydrophobicContact CG-CB 3.92Å; F12-P112 HydrophobicContact CG-CG 4.33Å; F12-P112 HydrophobicContact CZ-CB 4.17Å; F12-P112 HydrophobicContact CZ-CG 4.04Å; P112-Y164 HydrophobicContact CG-CE1 3.9Å; P112-I169 HydrophobicContact CB-CD1 4.27Å; P112-I169 HydrophobicContact CG-CD1 3.74Å
113C96.7Very high96.4Very high53 Ų5344.1 Ų44.136%0.35823%0.23SC..SBendtrans-84.3-18.3171.463.50000112.6I10I10-C113 PolarHBondContact O-N 3.4Å; I10-C113 PolarHBondContact O-SG 2.99Å
114L98.2Very high96.4Very high2 Ų242.1 Ų42.11%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-151144.5-179.3-171.762.2000110.3I11 F12 L116 I169 R171 A189 I190 L193I11-L114 WeakPolarHBondContact CA-O 3.38Å; I11-L114 HydrophobicContact CB-CB 4.5Å; I11-L114 HydrophobicContact CD1-CD2 4.2Å; I11-L114 HydrophobicContact CG1-CB 4.08Å; I11-L114 HydrophobicContact CG2-CB 4.11Å; I11-L114 HydrophobicContact CG2-CD2 4.29Å; I11-L114 HydrophobicContact CG2-CG 4.33Å; F12-L114 PolarHBondContact N-O 3.01Å; L114-L116 HydrophobicContact CD2-CD2 3.8Å; L114-L116 HydrophobicContact CD2-CG 4.02Å; L114-L116 HydrophobicContact CG-CD2 4.32Å; L114-L116 HydrophobicContact CG-CG 4.35Å; L114-I169 WeakPolarHBondContact CD1-O 3.38Å; L114-R171 HydrophobicContact CD1-CB 4.27Å; L114-R171 HydrophobicContact CD1-CG 3.52Å; L114-A189 HydrophobicContact CD2-CB 4.38Å; L114-I190 HydrophobicContact CD2-CG1 4.22Å; L114-L193 HydrophobicContact CB-CD1 4.16Å; L114-L193 HydrophobicContact CB-CD2 4.05Å; L114-L193 HydrophobicContact CD1-CD2 4.26Å; L114-L193 HydrophobicContact CD2-CD1 3.96Å; L114-L193 HydrophobicContact CD2-CD2 4.33Å; L114-L193 HydrophobicContact CD2-CG 4.32Å; L114-L193 HydrophobicContact CG-CD2 4.45Å
115L98.6Very high96.3Very high0 Ų040.4 Ų40.40%021%0.214CC..EExtended strand (participates in β ladder)trans-117.5112.5163.3-171.9157.7000109F12 V14 V160 I161 Y164 I169 V170 R171F12-L115 HydrophobicContact CB-CB 4.38Å; F12-L115 HydrophobicContact CB-CD1 4.33Å; F12-L115 HydrophobicContact CB-CG 4.05Å; F12-L115 CarbonylContact O-C 3.56Å; F12-L115 WeakPolarHBondContact O-CA 3.34Å; V14-L115 HydrophobicContact CB-CD2 4.13Å; V14-L115 HydrophobicContact CG2-CD1 3.94Å; V14-L115 HydrophobicContact CG2-CD2 4.16Å; V14-L115 HydrophobicContact CG2-CG 3.99Å; L115-V160 HydrophobicContact CD1-CG1 4.29Å; L115-I161 HydrophobicContact CD2-CD1 3.8Å; L115-Y164 HydrophobicContact CD1-CD2 3.45Å; L115-Y164 VanDerWaalsContact CD1-CD2 3.45Å; L115-Y164 HydrophobicContact CD1-CE2 4.28Å; L115-Y164 HydrophobicContact CD1-CG 3.76Å; L115-I169 HydrophobicContact CB-CD1 4.46Å; L115-I169 HydrophobicContact CB-CG1 4.44Å; L115-I169 PolarHBondContact N-O 3.27Å; L115-V170 HydrophobicContact CB-CG2 4.19Å; L115-V170 HydrophobicContact CD2-CG1 4.21Å; L115-V170 HydrophobicContact CD2-CG2 4.17Å; L115-V170 CarbonylContact O-C 3.46Å; L115-V170 WeakPolarHBondContact O-CA 3.48Å; L115-R171 PolarHBondContact O-N 3.34Å
116L98.6Very high96.2Very high3 Ų343 Ų432%0.01623%0.231CC..EExtended strand (participates in β ladder)trans-84110.5171.1-67.8173.9000108.7I11 F12 V13 V14 L114 I118 R171 V186 A189 I190I11-L116 HydrophobicContact CG2-CD1 3.79Å; I11-L116 HydrophobicContact CG2-CG 3.85Å; F12-L116 PolarHBondContact O-N 2.96Å; V13-L116 HydrophobicContact CG2-CD1 4.36Å; V14-L116 PolarHBondContact N-O 3.41Å; L114-L116 HydrophobicContact CD2-CD2 3.8Å; L114-L116 HydrophobicContact CD2-CG 4.02Å; L114-L116 HydrophobicContact CG-CD2 4.32Å; L114-L116 HydrophobicContact CG-CG 4.35Å; L116-I118 HydrophobicContact CB-CD1 4.41Å; L116-R171 HydrophobicContact CD2-CB 4.35Å; L116-V186 HydrophobicContact CD1-CG1 3.9Å; L116-A189 HydrophobicContact CD2-CB 3.81Å; L116-I190 HydrophobicContact CD1-CD1 4.38Å
117Y98.4Very high96.2Very high15 Ų1548.7 Ų48.76%0.05925%0.254CS..EExtended strand (participates in β ladder)trans-94.6103.2174.6175-143.5000109.8V14 D119 Y153 I161 R171 K172 I173V14-Y117 CarbonylContact O-C 3.57Å; V14-Y117 WeakPolarHBondContact O-CA 3.46Å; Y117-D119 HydrophobicContact CD1-CB 4.28Å; Y117-D119 HydrophobicContact CE1-CB 3.74Å; Y117-D119 HydrophobicContact CE2-CB 4.17Å; Y117-D119 VanDerWaalsContact CZ-OD1 3.32Å; Y117-D119 PolarHBondContact O-N 3.42Å; Y117-D119 PolarHBondContact OH-OD1 2.9Å; Y117-Y153 VanDerWaalsContact CE2-OH 3.23Å; Y117-Y153 WeakPolarHBondContact CE2-OH 3.45Å; Y117-Y153 PolarHBondContact OH-OH 2.99Å; Y117-Y153 VanDerWaalsContact OH-OH 3.08Å; Y117-I161 HydrophobicContact CD1-CD1 4.49Å; Y117-I161 HydrophobicContact CD1-CG1 4.5Å; Y117-I161 HydrophobicContact CD1-CG2 3.95Å; Y117-I161 HydrophobicContact CD2-CD1 3.7Å; Y117-I161 HydrophobicContact CD2-CG1 4.13Å; Y117-I161 HydrophobicContact CE1-CG2 4.38Å; Y117-I161 HydrophobicContact CE2-CD1 4.31Å; Y117-I161 HydrophobicContact CE2-CG1 4.3Å; Y117-I161 HydrophobicContact CG-CD1 3.82Å; Y117-I161 HydrophobicContact CG-CG1 4.26Å; Y117-I161 HydrophobicContact CG-CG2 4.28Å; Y117-R171 PolarHBondContact N-O 3.08Å; Y117-K172 HydrophobicContact CD1-CB 4.15Å; Y117-K172 HydrophobicContact CD1-CD 4.1Å; Y117-K172 HydrophobicContact CD1-CG 3.73Å; Y117-K172 HydrophobicContact CE1-CD 4.18Å; Y117-K172 HydrophobicContact CE1-CG 4.2Å; Y117-I173 PolarHBondContact O-N 2.89Å
118I98.3Very high96.2Very high1 Ų146 Ų461%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-87.392.8177.9-49.8-55.1000108.4V13 V14 S19 K21 L116 I173 V186V13-I118 HydrophobicContact CG1-CG1 4.02Å; V14-I118 PolarHBondContact O-N 3.43Å; S19-I118 VanDerWaalsContact CB-O 3.32Å; S19-I118 WeakPolarHBondContact CB-O 3.15Å; S19-I118 WeakPolarHBondContact O-CG2 3.32Å; S19-I118 PolarHBondContact OG-O 3.01Å; K21-I118 HydrophobicContact CG-CB 4.05Å; K21-I118 HydrophobicContact CG-CG1 4.04Å; L116-I118 HydrophobicContact CB-CD1 4.41Å; I118-I173 HydrophobicContact CD1-CB 4.04Å; I118-I173 HydrophobicContact CD1-CG1 4.16Å; I118-I173 HydrophobicContact CD1-CG2 4.5Å; I118-V186 HydrophobicContact CD1-CG2 4.13Å
119D97.5Very high96.2Very high36 Ų3642 Ų4219%0.19322%0.223CC..EExtended strand (participates in β ladder)trans-86.3133.3-173.3-170.330.5000111.3Y117 K172 I173 S175Y117-D119 HydrophobicContact CD1-CB 4.28Å; Y117-D119 HydrophobicContact CE1-CB 3.74Å; Y117-D119 HydrophobicContact CE2-CB 4.17Å; Y117-D119 VanDerWaalsContact CZ-OD1 3.32Å; Y117-D119 PolarHBondContact O-N 3.42Å; Y117-D119 PolarHBondContact OH-OD1 2.9Å; D119-K172 HydrophobicContact CB-CG 4.33Å; D119-K172 VanDerWaalsContact CG-CE 3.49Å; D119-K172 WeakPolarHBondContact OD2-CE 3.37Å; D119-K172 IonicContact OD2-NZ 3.29Å; D119-K172 PolarHBondContact OD2-NZ 3.38Å; D119-I173 PolarHBondContact N-O 3.41Å; D119-S175 VanDerWaalsContact O-CB 3.23Å; D119-S175 WeakPolarHBondContact O-CB 3.34Å; D119-S175 PolarHBondContact O-N 3.16Å; D119-S175 PolarHBondContact O-OG 3.23Å
120A97.1Very high96Very high10 Ų1045.6 Ų45.68%0.08324%0.24CC..  trans-144.9148.1-179.300000109.2M125 S175A120-M125 HydrophobicContact CB-CG 3.64Å; A120-M125 HydrophobicContact CB-SD 4.18Å; A120-M125 WeakPolarHBondContact O-CE 3.3Å; A120-S175 VanDerWaalsContact CB-OG 3.25Å; A120-S175 WeakPolarHBondContact CB-OG 3.39Å
121K96.8Very high95.9Very high138 Ų13852.2 Ų52.260%0.627%0.266SS*.  trans-67.8148.1171.7-63.7177.9-176.4176.50110.4E123 T124 M125 E176K121-E123 VanDerWaalsContact C-N 3.28Å; K121-E123 PolarHBondContact O-N 3.23Å; K121-T124 PolarHBondContact O-N 3.35Å; K121-T124 VanDerWaalsContact O-N 3.14Å; K121-M125 WeakPolarHBondContact O-CG 3.31Å; K121-M125 PolarHBondContact O-N 3.48Å; K121-E176 WeakPolarHBondContact CB-OE1 3.14Å; K121-E176 HydrophobicContact CG-CG 4.46Å; K121-E176 PolarHBondContact N-OE1 3.19Å
122G95.2Very high95.7Very high23 Ų2352 Ų5224%0.23725%0.251CS..Hα-helixtrans-51.5-45.8175.700000113.1T124 M125 V126G122-T124 PolarHBondContact O-N 3.15Å; G122-M125 WeakPolarHBondContact O-CB 3.46Å; G122-M125 PolarHBondContact O-N 2.95Å; G122-V126 WeakPolarHBondContact O-CG2 3.46Å; G122-V126 PolarHBondContact O-N 2.97Å
123E95.4Very high95.2Very high168 Ų16852.8 Ų52.879%0.78526%0.261SS*.Hα-helixtrans-62.5-43.8178.8-63.9176.1-177.200112.4K121 M125 V126 K127K121-E123 VanDerWaalsContact C-N 3.28Å; K121-E123 PolarHBondContact O-N 3.23Å; E123-M125 VanDerWaalsContact C-N 3.33Å; E123-M125 PolarHBondContact O-N 2.93Å; E123-V126 PolarHBondContact O-N 3.24Å; E123-K127 WeakPolarHBondContact O-CB 3.26Å; E123-K127 PolarHBondContact O-N 3.49Å
124T96.4Very high94.7Very high27 Ų2757.7 Ų57.717%0.16628%0.279CS..Hα-helixtrans-61.6-43.6175.8-64.60000110.9K121 G122 K127 R128 E176K121-T124 PolarHBondContact O-N 3.35Å; K121-T124 VanDerWaalsContact O-N 3.14Å; G122-T124 PolarHBondContact O-N 3.15Å; T124-K127 PolarHBondContact O-N 2.89Å; T124-R128 HydrophobicContact CG2-CG 4.44Å; T124-R128 WeakPolarHBondContact O-CB 3.42Å; T124-R128 VanDerWaalsContact O-CG 3.27Å; T124-R128 WeakPolarHBondContact O-CG 3.28Å; T124-R128 PolarHBondContact O-N 3.34Å; T124-E176 VanDerWaalsContact CB-OE1 3.26Å; T124-E176 WeakPolarHBondContact CB-OE1 3.47Å; T124-E176 WeakPolarHBondContact CB-OE2 3.24Å; T124-E176 WeakPolarHBondContact CG2-OE2 3.19Å; T124-E176 VanDerWaalsContact OG1-CD 3.28Å; T124-E176 PolarHBondContact OG1-OE1 3.08Å; T124-E176 VanDerWaalsContact OG1-OE1 3.1Å; T124-E176 PolarHBondContact OG1-OE2 2.89Å
125M96.4Very high94Very high1 Ų163.1 Ų63.11%0.00531%0.312CS..Hα-helixtrans-60.2-50.5176.1-74.5-168.4-72.300111.9G16 P17 A120 K121 G122 E123 K127 R128 L129 L150 Y154G16-M125 WeakPolarHBondContact CA-SD 3.32Å; P17-M125 VanDerWaalsContact O-CB 3.23Å; P17-M125 WeakPolarHBondContact O-CB 3.09Å; P17-M125 WeakPolarHBondContact O-CG 3.43Å; A120-M125 HydrophobicContact CB-CG 3.64Å; A120-M125 HydrophobicContact CB-SD 4.18Å; A120-M125 WeakPolarHBondContact O-CE 3.3Å; K121-M125 WeakPolarHBondContact O-CG 3.31Å; K121-M125 PolarHBondContact O-N 3.48Å; G122-M125 WeakPolarHBondContact O-CB 3.46Å; G122-M125 PolarHBondContact O-N 2.95Å; E123-M125 VanDerWaalsContact C-N 3.33Å; E123-M125 PolarHBondContact O-N 2.93Å; M125-K127 PolarHBondContact O-N 3.37Å; M125-R128 PolarHBondContact O-N 3.11Å; M125-L129 WeakPolarHBondContact O-CB 3.33Å; M125-L129 WeakPolarHBondContact O-CG 3.38Å; M125-L129 PolarHBondContact O-N 3.27Å; M125-L150 HydrophobicContact CB-CD2 4.02Å; M125-L150 HydrophobicContact CE-CD2 3.57Å; M125-L150 HydrophobicContact SD-CD2 3.92Å; M125-Y154 WeakPolarHBondContact CE-OH 3.45Å
126V94.8Very high93Very high56 Ų5665.4 Ų65.434%0.33933%0.329SS..Hα-helixtrans-56.9-51.1176.9173.60000110.6G122 E123 R128 L129 M130 I146 L150G122-V126 WeakPolarHBondContact O-CG2 3.46Å; G122-V126 PolarHBondContact O-N 2.97Å; E123-V126 PolarHBondContact O-N 3.24Å; V126-R128 VanDerWaalsContact C-N 3.31Å; V126-R128 PolarHBondContact O-N 3.29Å; V126-L129 PolarHBondContact O-N 2.71Å; V126-L129 VanDerWaalsContact O-N 3.12Å; V126-M130 HydrophobicContact CG1-CG 4.24Å; V126-M130 WeakPolarHBondContact O-CG 3.41Å; V126-M130 PolarHBondContact O-N 2.96Å; V126-I146 HydrophobicContact CG2-CG2 4.14Å; V126-L150 HydrophobicContact CG2-CD1 3.36Å
127K94.8Very high92.1Very high165 Ų16569 Ų6972%0.71737%0.366SS*.Hα-helixtrans-56.9-43.9-179.4-176.4178.4-179.9178.20112.2E123 T124 M125 K131E123-K127 WeakPolarHBondContact O-CB 3.26Å; E123-K127 PolarHBondContact O-N 3.49Å; T124-K127 PolarHBondContact O-N 2.89Å; M125-K127 PolarHBondContact O-N 3.37Å; K127-K131 PolarHBondContact O-N 2.77Å
128R94.9Very high91.3Very high87 Ų8771.6 Ų71.633%0.32838%0.376SS..Hα-helixtrans-68-37.6178.3-72.4172.9179.7174.12.9112.1G18 S19 T124 M125 V126 R132 S175G18-R128 WeakPolarHBondContact O-CD 3.36Å; S19-R128 PolarHBondContact O-NH1 3.46Å; T124-R128 HydrophobicContact CG2-CG 4.44Å; T124-R128 WeakPolarHBondContact O-CB 3.42Å; T124-R128 VanDerWaalsContact O-CG 3.27Å; T124-R128 WeakPolarHBondContact O-CG 3.28Å; T124-R128 PolarHBondContact O-N 3.34Å; M125-R128 PolarHBondContact O-N 3.11Å; V126-R128 VanDerWaalsContact C-N 3.31Å; V126-R128 PolarHBondContact O-N 3.29Å; R128-R132 WeakPolarHBondContact O-CB 3.46Å; R128-R132 PolarHBondContact O-N 3.15Å; R128-R132 VanDerWaalsContact O-N 3.08Å; R128-S175 PolarHBondContact NH1-O 2.89Å; R128-S175 PolarHBondContact NH2-O 3.17Å
129L92.3Very high90.4Very high0 Ų074.8 Ų74.80%040%0.402CS..Hα-helixtrans-67.9-44.8178-69.8168.3000112P17 M125 V126 R132 G133 I146P17-L129 HydrophobicContact CB-CD1 3.85Å; P17-L129 HydrophobicContact CB-CD2 4.13Å; P17-L129 HydrophobicContact CG-CD1 4.07Å; M125-L129 WeakPolarHBondContact O-CB 3.33Å; M125-L129 WeakPolarHBondContact O-CG 3.38Å; M125-L129 PolarHBondContact O-N 3.27Å; V126-L129 PolarHBondContact O-N 2.71Å; V126-L129 VanDerWaalsContact O-N 3.12Å; L129-R132 PolarHBondContact O-N 2.89Å; L129-R132 VanDerWaalsContact O-N 3.15Å; L129-G133 PolarHBondContact O-N 3.28Å; L129-I146 HydrophobicContact CB-CD1 3.65Å; L129-I146 HydrophobicContact CB-CG1 3.92Å; L129-I146 HydrophobicContact CB-CG2 4.48Å; L129-I146 HydrophobicContact CD1-CB 4.39Å; L129-I146 HydrophobicContact CD1-CG1 4.03Å; L129-I146 HydrophobicContact CD1-CG2 3.72Å
130M90.5Very high89.4Confident83 Ų8374 Ų7441%0.40940%0.398SS..Hα-helixtrans-58.5-50.3176.8-67.3-61-67.900111.2V126 R132 G133 E134 I146V126-M130 HydrophobicContact CG1-CG 4.24Å; V126-M130 WeakPolarHBondContact O-CG 3.41Å; V126-M130 PolarHBondContact O-N 2.96Å; M130-R132 PolarHBondContact O-N 2.68Å; M130-G133 PolarHBondContact O-N 3.1Å; M130-G133 VanDerWaalsContact O-N 3.11Å; M130-E134 PolarHBondContact O-N 2.65Å; M130-I146 HydrophobicContact CG-CD1 4.26Å; M130-I146 HydrophobicContact SD-CD1 3.57Å; M130-I146 VanDerWaalsContact SD-CD1 3.57Å
131K91.9Very high88.8Confident151 Ų15174 Ų7466%0.65740%0.397SS*.Hα-helixtrans-59.6-34.4176.6-175.6174.6-178.8178.90112.8K127 T135K127-K131 PolarHBondContact O-N 2.77Å; K131-T135 PolarHBondContact O-OG1 3.08Å
132R89.1Confident88.2Confident62 Ų6270.6 Ų70.623%0.23439%0.385CS..Hα-helixtrans-71.5-39.8176.9-170.2176.969.5-151.3-1.9111.7R128 L129 M130 E134 T135 S136 R138 D141R128-R132 WeakPolarHBondContact O-CB 3.46Å; R128-R132 PolarHBondContact O-N 3.15Å; R128-R132 VanDerWaalsContact O-N 3.08Å; L129-R132 PolarHBondContact O-N 2.89Å; L129-R132 VanDerWaalsContact O-N 3.15Å; M130-R132 PolarHBondContact O-N 2.68Å; R132-E134 PolarHBondContact O-N 2.72Å; R132-T135 PolarHBondContact O-N 2.84Å; R132-T135 PolarHBondContact O-OG1 3.04Å; R132-S136 WeakPolarHBondContact O-CB 2.78Å; R132-S136 PolarHBondContact O-N 3.45Å; R132-S136 PolarHBondContact O-OG 2.98Å; R132-S136 VanDerWaalsContact O-OG 3.11Å; R132-R138 VanDerWaalsContact CZ-NH1 3.35Å; R132-D141 IonicContact CZ-OD1 3.31Å; R132-D141 IonicContact CZ-OD2 3.57Å; R132-D141 VanDerWaalsContact CZ-OD2 3.25Å; R132-D141 IonicContact NE-OD1 3.8Å; R132-D141 IonicContact NE-OD2 2.74Å; R132-D141 PolarHBondContact NE-OD2 2.64Å; R132-D141 VanDerWaalsContact NH2-CG 3.28Å; R132-D141 IonicContact NH2-OD1 2.68Å; R132-D141 PolarHBondContact NH2-OD1 3.12Å; R132-D141 IonicContact NH2-OD2 2.76Å; R132-D141 PolarHBondContact NH2-OD2 3.08Å
133G86.6Confident87.9Confident28 Ų2875 Ų7529%0.28940%0.399SS..Hα-helixtrans-56.2-33.6176.600000113.3L129 M130 T135L129-G133 PolarHBondContact O-N 3.28Å; M130-G133 PolarHBondContact O-N 3.1Å; M130-G133 VanDerWaalsContact O-N 3.11Å; G133-T135 PolarHBondContact O-N 3.24Å
134E87.6Confident87.5Confident155 Ų15572.7 Ų72.772%0.72439%0.389SS*.THydrogen-bonded Turntrans-64.8-23.8176-65.5167.8-164.200113.9M130 R132M130-E134 PolarHBondContact O-N 2.65Å; R132-E134 PolarHBondContact O-N 2.72Å
135T83.6Confident87.2Confident116 Ų11671.6 Ų71.671%0.71238%0.382SS*.THydrogen-bonded Turntrans-125.4-27.1-166.251.70000114.6K131 R132 G133K131-T135 PolarHBondContact O-OG1 3.08Å; R132-T135 PolarHBondContact O-N 2.84Å; R132-T135 PolarHBondContact O-OG1 3.04Å; G133-T135 PolarHBondContact O-N 3.24Å
136S77.8Confident86.9Confident49 Ų4971.8 Ų71.834%0.34338%0.383SS..SBendtrans-94.7-6.9-166.974.70000115.5R132 R138R132-S136 WeakPolarHBondContact O-CB 2.78Å; R132-S136 PolarHBondContact O-N 3.45Å; R132-S136 PolarHBondContact O-OG 2.98Å; R132-S136 VanDerWaalsContact O-OG 3.11Å; S136-R138 PolarHBondContact O-N 3.47Å; S136-R138 WeakPolarHBondContact OG-CB 3.01Å; S136-R138 WeakPolarHBondContact OG-CD 3.27Å; S136-R138 VanDerWaalsContact OG-CG 3.24Å; S136-R138 WeakPolarHBondContact OG-CG 3.41Å; S136-R138 PolarHBondContact OG-N 3.2Å
137G79.8Confident86.8Confident78 Ų7875 Ų7580%0.80439%0.392SS*.  trans64.820.1-174.700000114.4A139G137-A139 PolarHBondContact O-N 2.66Å
138R80.8Confident86.7Confident70 Ų7071.1 Ų71.126%0.26438%0.376SS..  trans-84.9109.1-179.8-74.8177.5-173.1-161.60.9109.5R132 S136 D140 D141R132-R138 VanDerWaalsContact CZ-NH1 3.35Å; S136-R138 PolarHBondContact O-N 3.47Å; S136-R138 WeakPolarHBondContact OG-CB 3.01Å; S136-R138 WeakPolarHBondContact OG-CD 3.27Å; S136-R138 VanDerWaalsContact OG-CG 3.24Å; S136-R138 WeakPolarHBondContact OG-CG 3.41Å; S136-R138 PolarHBondContact OG-N 3.2Å; R138-D140 PolarHBondContact O-N 3.5Å; R138-D141 HydrophobicContact CB-CB 4.26Å; R138-D141 WeakPolarHBondContact CB-OD2 3.25Å; R138-D141 WeakPolarHBondContact CD-OD2 3.32Å; R138-D141 PolarHBondContact O-N 3.22Å; R138-D141 VanDerWaalsContact O-N 3.17Å
139A78.6Confident86.6Confident68 Ų6868.6 Ų68.656%0.56237%0.366SS*.THydrogen-bonded Turntrans-62.6-23.3-179.500000113.6G137 D141 N142G137-A139 PolarHBondContact O-N 2.66Å; A139-D141 VanDerWaalsContact C-N 3.32Å; A139-N142 PolarHBondContact O-ND2 3.31Å; A139-N142 VanDerWaalsContact O-ND2 3.08Å
140D77.6Confident86.6Confident18 Ų1869.4 Ų69.410%0.09637%0.37CS..THydrogen-bonded Turntrans-85.94.8179.164.5-53.8000114.3R138 T145 R149R138-D140 PolarHBondContact O-N 3.5Å; D140-T145 HydrophobicContact CB-CG2 3.99Å; D140-T145 WeakPolarHBondContact O-CB 3.39Å; D140-T145 VanDerWaalsContact O-CG2 3.24Å; D140-T145 WeakPolarHBondContact O-CG2 3.47Å; D140-R149 PolarHBondContact O-NH1 3.29Å; D140-R149 IonicContact OD2-CZ 3.73Å; D140-R149 IonicContact OD2-NH1 2.73Å; D140-R149 PolarHBondContact OD2-NH1 3Å; D140-R149 IonicContact OD2-NH2 3.82Å
141D83.1Confident86.8Confident12 Ų1269.2 Ų69.26%0.06437%0.371CS..  trans-101.647.7174.6-72.4-23.5000111.3R132 R138 A139 R149R132-D141 IonicContact CZ-OD1 3.31Å; R132-D141 IonicContact CZ-OD2 3.57Å; R132-D141 VanDerWaalsContact CZ-OD2 3.25Å; R132-D141 IonicContact NE-OD1 3.8Å; R132-D141 IonicContact NE-OD2 2.74Å; R132-D141 PolarHBondContact NE-OD2 2.64Å; R132-D141 VanDerWaalsContact NH2-CG 3.28Å; R132-D141 IonicContact NH2-OD1 2.68Å; R132-D141 PolarHBondContact NH2-OD1 3.12Å; R132-D141 IonicContact NH2-OD2 2.76Å; R132-D141 PolarHBondContact NH2-OD2 3.08Å; R138-D141 HydrophobicContact CB-CB 4.26Å; R138-D141 WeakPolarHBondContact CB-OD2 3.25Å; R138-D141 WeakPolarHBondContact CD-OD2 3.32Å; R138-D141 PolarHBondContact O-N 3.22Å; R138-D141 VanDerWaalsContact O-N 3.17Å; A139-D141 VanDerWaalsContact C-N 3.32Å; D141-R149 IonicContact OD1-CZ 2.67Å; D141-R149 IonicContact OD1-NH1 2.7Å; D141-R149 PolarHBondContact OD1-NH1 2.94Å; D141-R149 IonicContact OD1-NH2 3.14Å
142N85.6Confident86.9Confident65 Ų6564 Ų6435%0.34835%0.35SS..SBendtrans-105.8162169.469.574.5000111.1A139 E144 T145 I146A139-N142 PolarHBondContact O-ND2 3.31Å; A139-N142 VanDerWaalsContact O-ND2 3.08Å; N142-E144 PolarHBondContact O-N 3.31Å; N142-E144 PolarHBondContact OD1-N 3.14Å; N142-T145 PolarHBondContact ND2-OG1 3.04Å; N142-T145 PolarHBondContact O-N 3.31Å; N142-T145 PolarHBondContact OD1-N 3.03Å; N142-T145 PolarHBondContact OD1-OG1 3.43Å; N142-I146 WeakPolarHBondContact O-CB 3.32Å; N142-I146 WeakPolarHBondContact O-CD1 3.23Å; N142-I146 WeakPolarHBondContact O-CG1 3.38Å; N142-I146 PolarHBondContact O-N 3.46Å
143E87.4Confident87.1Confident115 Ų11561.5 Ų61.554%0.53734%0.341SS..Hα-helixtrans-56.2-44.3-171.8-169.8-174.9162.700113.7I146 K147E143-I146 PolarHBondContact O-N 2.95Å; E143-K147 WeakPolarHBondContact O-CG 3.23Å; E143-K147 PolarHBondContact O-N 3.37Å; E143-K147 VanDerWaalsContact O-N 3.12Å; E143-K147 VanDerWaalsContact OE1-CE 3.32Å; E143-K147 WeakPolarHBondContact OE1-CE 3.2Å; E143-K147 IonicContact OE1-NZ 2.95Å; E143-K147 PolarHBondContact OE1-NZ 3.35Å
144E88.7Confident87.5Confident120 Ų12064.6 Ų64.656%0.56134%0.344SS*.Hα-helixtrans-64.7-48.6-179.3-169.7-170.115700110.9N142 I146 K147 K148N142-E144 PolarHBondContact O-N 3.31Å; N142-E144 PolarHBondContact OD1-N 3.14Å; E144-I146 VanDerWaalsContact C-N 3.33Å; E144-I146 PolarHBondContact O-N 2.91Å; E144-K147 PolarHBondContact O-N 2.99Å; E144-K148 PolarHBondContact O-N 3.05Å; E144-K148 VanDerWaalsContact O-N 3.15Å; E144-K148 VanDerWaalsContact OE1-CE 3.31Å; E144-K148 WeakPolarHBondContact OE1-CE 3.42Å; E144-K148 IonicContact OE1-NZ 3.77Å; E144-K148 PolarHBondContact OE1-NZ 3.17Å
145T88.8Confident87.8Confident5 Ų563.9 Ų63.93%0.03134%0.339CS..Hα-helixtrans-66.8-34.9179.6-53.50000111.5Q62 D140 N142 K148 R149Q62-T145 PolarHBondContact O-OG1 2.94Å; D140-T145 HydrophobicContact CB-CG2 3.99Å; D140-T145 WeakPolarHBondContact O-CB 3.39Å; D140-T145 VanDerWaalsContact O-CG2 3.24Å; D140-T145 WeakPolarHBondContact O-CG2 3.47Å; N142-T145 PolarHBondContact ND2-OG1 3.04Å; N142-T145 PolarHBondContact O-N 3.31Å; N142-T145 PolarHBondContact OD1-N 3.03Å; N142-T145 PolarHBondContact OD1-OG1 3.43Å; T145-K148 PolarHBondContact O-N 3.11Å; T145-R149 HydrophobicContact CG2-CG 4.23Å; T145-R149 WeakPolarHBondContact O-CB 3.33Å; T145-R149 WeakPolarHBondContact O-CD 3.49Å; T145-R149 WeakPolarHBondContact O-CG 3.19Å; T145-R149 PolarHBondContact O-N 3.25Å
146I91.6Very high88.2Confident4 Ų459.1 Ų59.12%0.02131%0.311CS..Hα-helixtrans-60.9-47.8175.2-73.3165.7000110.7V126 L129 M130 N142 E143 E144 K148 R149 L150V126-I146 HydrophobicContact CG2-CG2 4.14Å; L129-I146 HydrophobicContact CB-CD1 3.65Å; L129-I146 HydrophobicContact CB-CG1 3.92Å; L129-I146 HydrophobicContact CB-CG2 4.48Å; L129-I146 HydrophobicContact CD1-CB 4.39Å; L129-I146 HydrophobicContact CD1-CG1 4.03Å; L129-I146 HydrophobicContact CD1-CG2 3.72Å; M130-I146 HydrophobicContact CG-CD1 4.26Å; M130-I146 HydrophobicContact SD-CD1 3.57Å; M130-I146 VanDerWaalsContact SD-CD1 3.57Å; N142-I146 WeakPolarHBondContact O-CB 3.32Å; N142-I146 WeakPolarHBondContact O-CD1 3.23Å; N142-I146 WeakPolarHBondContact O-CG1 3.38Å; N142-I146 PolarHBondContact O-N 3.46Å; E143-I146 PolarHBondContact O-N 2.95Å; E144-I146 VanDerWaalsContact C-N 3.33Å; E144-I146 PolarHBondContact O-N 2.91Å; I146-K148 PolarHBondContact O-N 3.15Å; I146-R149 PolarHBondContact O-N 2.76Å; I146-L150 HydrophobicContact CG2-CD1 4Å; I146-L150 WeakPolarHBondContact O-CG 3.48Å; I146-L150 PolarHBondContact O-N 2.72Å
147K91.8Very high88.8Confident123 Ų12357.3 Ų57.354%0.53530%0.298SS..Hα-helixtrans-59.2-47.7177.6-72.5174.2-1741680111.3E143 E144 R149 L150 D151E143-K147 WeakPolarHBondContact O-CG 3.23Å; E143-K147 PolarHBondContact O-N 3.37Å; E143-K147 VanDerWaalsContact O-N 3.12Å; E143-K147 VanDerWaalsContact OE1-CE 3.32Å; E143-K147 WeakPolarHBondContact OE1-CE 3.2Å; E143-K147 IonicContact OE1-NZ 2.95Å; E143-K147 PolarHBondContact OE1-NZ 3.35Å; E144-K147 PolarHBondContact O-N 2.99Å; K147-R149 PolarHBondContact O-N 3.23Å; K147-L150 PolarHBondContact O-N 3.4Å; K147-D151 WeakPolarHBondContact O-CB 3.36Å; K147-D151 PolarHBondContact O-N 3.3Å
148K92.6Very high89.4Confident85 Ų8557.9 Ų57.937%0.3728%0.28SS..Hα-helixtrans-60.8-43.3177.8-69.7179.7-173.1169.50112.4K63 E144 T145 I146 L150 D151 L152K63-K148 WeakPolarHBondContact O-CD 3.48Å; E144-K148 PolarHBondContact O-N 3.05Å; E144-K148 VanDerWaalsContact O-N 3.15Å; E144-K148 VanDerWaalsContact OE1-CE 3.31Å; E144-K148 WeakPolarHBondContact OE1-CE 3.42Å; E144-K148 IonicContact OE1-NZ 3.77Å; E144-K148 PolarHBondContact OE1-NZ 3.17Å; T145-K148 PolarHBondContact O-N 3.11Å; I146-K148 PolarHBondContact O-N 3.15Å; K148-L150 VanDerWaalsContact C-N 3.33Å; K148-L150 PolarHBondContact O-N 3.07Å; K148-D151 PolarHBondContact O-N 2.76Å; K148-L152 VanDerWaalsContact O-CB 3.23Å; K148-L152 WeakPolarHBondContact O-CB 3.33Å; K148-L152 PolarHBondContact O-N 2.93Å
149R92.4Very high90.2Very high33 Ų3357.2 Ų57.213%0.12529%0.285CS..Hα-helixtrans-66-34.9178.9-73.1167.763.9-169.96.9112.7P17 D140 D141 T145 I146 K147 Y153P17-R149 HydrophobicContact CB-CB 4.48Å; P17-R149 HydrophobicContact CG-CB 4.04Å; D140-R149 PolarHBondContact O-NH1 3.29Å; D140-R149 IonicContact OD2-CZ 3.73Å; D140-R149 IonicContact OD2-NH1 2.73Å; D140-R149 PolarHBondContact OD2-NH1 3Å; D140-R149 IonicContact OD2-NH2 3.82Å; D141-R149 IonicContact OD1-CZ 2.67Å; D141-R149 IonicContact OD1-NH1 2.7Å; D141-R149 PolarHBondContact OD1-NH1 2.94Å; D141-R149 IonicContact OD1-NH2 3.14Å; T145-R149 HydrophobicContact CG2-CG 4.23Å; T145-R149 WeakPolarHBondContact O-CB 3.33Å; T145-R149 WeakPolarHBondContact O-CD 3.49Å; T145-R149 WeakPolarHBondContact O-CG 3.19Å; T145-R149 PolarHBondContact O-N 3.25Å; I146-R149 PolarHBondContact O-N 2.76Å; K147-R149 PolarHBondContact O-N 3.23Å; R149-Y153 WeakPolarHBondContact O-CB 3.37Å; R149-Y153 PolarHBondContact O-N 3.2Å
150L93.7Very high91.1Very high17 Ų1754 Ų549%0.08926%0.258CS..Hα-helixtrans-70.5-46.4174.5-77.2169.1000111.7P17 M125 V126 I146 K147 K148 L152 Y153 Y154P17-L150 HydrophobicContact CG-CD2 3.82Å; P17-L150 HydrophobicContact CG-CG 4.07Å; M125-L150 HydrophobicContact CB-CD2 4.02Å; M125-L150 HydrophobicContact CE-CD2 3.57Å; M125-L150 HydrophobicContact SD-CD2 3.92Å; V126-L150 HydrophobicContact CG2-CD1 3.36Å; I146-L150 HydrophobicContact CG2-CD1 4Å; I146-L150 WeakPolarHBondContact O-CG 3.48Å; I146-L150 PolarHBondContact O-N 2.72Å; K147-L150 PolarHBondContact O-N 3.4Å; K148-L150 VanDerWaalsContact C-N 3.33Å; K148-L150 PolarHBondContact O-N 3.07Å; L150-L152 VanDerWaalsContact C-N 3.34Å; L150-L152 PolarHBondContact O-N 3.44Å; L150-Y153 WeakPolarHBondContact O-CB 3.21Å; L150-Y153 PolarHBondContact O-N 3.23Å; L150-Y153 VanDerWaalsContact O-N 3.16Å; L150-Y154 WeakPolarHBondContact O-CD2 3.47Å; L150-Y154 PolarHBondContact O-N 3.34Å; L150-Y154 VanDerWaalsContact O-N 3.08Å
151D94.3Very high92Very high79 Ų7954 Ų5442%0.42226%0.258SS..Hα-helixtrans-57.9-47.5176.2179.762.5000111.5K147 K148 Y153 Y154 K155K147-D151 WeakPolarHBondContact O-CB 3.36Å; K147-D151 PolarHBondContact O-N 3.3Å; K148-D151 PolarHBondContact O-N 2.76Å; D151-Y153 VanDerWaalsContact C-N 3.32Å; D151-Y153 PolarHBondContact O-N 3.36Å; D151-Y154 PolarHBondContact O-N 3.48Å; D151-K155 WeakPolarHBondContact O-CB 3.47Å; D151-K155 WeakPolarHBondContact O-CG 3.37Å; D151-K155 PolarHBondContact O-N 3.46Å; D151-K155 WeakPolarHBondContact OD1-CE 3.46Å; D151-K155 IonicContact OD1-NZ 3.96Å; D151-K155 PolarHBondContact OD1-NZ 3.38Å; D151-K155 WeakPolarHBondContact OD2-CE 3.4Å; D151-K155 IonicContact OD2-NZ 3.25Å; D151-K155 PolarHBondContact OD2-NZ 3.29Å
152L92.6Very high92.5Very high42 Ų4256.6 Ų56.622%0.2228%0.281CS..Hα-helixtrans-61.3-39.6175.6178.962.5000112.3G64 L66 K148 L150 K155 A156G64-L152 WeakPolarHBondContact O-CD2 3.18Å; L66-L152 HydrophobicContact CD1-CD1 4.04Å; L66-L152 HydrophobicContact CD2-CD2 3.71Å; L66-L152 HydrophobicContact CD2-CG 4.34Å; L66-L152 HydrophobicContact CG-CD1 3.99Å; L66-L152 HydrophobicContact CG-CD2 3.64Å; L66-L152 HydrophobicContact CG-CG 4.18Å; K148-L152 VanDerWaalsContact O-CB 3.23Å; K148-L152 WeakPolarHBondContact O-CB 3.33Å; K148-L152 PolarHBondContact O-N 2.93Å; L150-L152 VanDerWaalsContact C-N 3.34Å; L150-L152 PolarHBondContact O-N 3.44Å; L152-K155 PolarHBondContact O-N 3.35Å; L152-A156 HydrophobicContact CD1-CB 3.95Å; L152-A156 VanDerWaalsContact O-CB 3.24Å; L152-A156 WeakPolarHBondContact O-CB 3.39Å; L152-A156 PolarHBondContact O-N 3.49Å
153Y94.2Very high93.1Very high10 Ų1055.7 Ų55.74%0.03927%0.274CS..Iπ-helixtrans-59.1-51.6175.9163.5-101.2000111.7G15 G16 Y117 R149 L150 D151 K155 T157 E158G15-Y153 VanDerWaalsContact C-CE2 3.45Å; G16-Y153 VanDerWaalsContact CA-CD2 3.44Å; Y117-Y153 VanDerWaalsContact CE2-OH 3.23Å; Y117-Y153 WeakPolarHBondContact CE2-OH 3.45Å; Y117-Y153 PolarHBondContact OH-OH 2.99Å; Y117-Y153 VanDerWaalsContact OH-OH 3.08Å; R149-Y153 WeakPolarHBondContact O-CB 3.37Å; R149-Y153 PolarHBondContact O-N 3.2Å; L150-Y153 WeakPolarHBondContact O-CB 3.21Å; L150-Y153 PolarHBondContact O-N 3.23Å; L150-Y153 VanDerWaalsContact O-N 3.16Å; D151-Y153 VanDerWaalsContact C-N 3.32Å; D151-Y153 PolarHBondContact O-N 3.36Å; Y153-K155 PolarHBondContact O-N 3.3Å; Y153-T157 HydrophobicContact CD2-CG2 3.75Å; Y153-T157 HydrophobicContact CE2-CG2 3.87Å; Y153-T157 CarbonylContact O-C 3.53Å; Y153-T157 WeakPolarHBondContact O-CA 3.4Å; Y153-T157 VanDerWaalsContact O-CB 3.29Å; Y153-T157 WeakPolarHBondContact O-CB 3.34Å; Y153-T157 PolarHBondContact O-N 3.39Å; Y153-E158 PolarHBondContact O-N 2.94Å
154Y94.4Very high93.6Very high92 Ų9250.2 Ų50.236%0.36125%0.248SC..Iπ-helixtrans-65.9-39.4179.9-68.4-65.6000111.9M125 L150 D151 E158M125-Y154 WeakPolarHBondContact CE-OH 3.45Å; L150-Y154 WeakPolarHBondContact O-CD2 3.47Å; L150-Y154 PolarHBondContact O-N 3.34Å; L150-Y154 VanDerWaalsContact O-N 3.08Å; D151-Y154 PolarHBondContact O-N 3.48Å; Y154-E158 WeakPolarHBondContact O-CB 3.48Å
155K94.6Very high94Very high140 Ų14047.2 Ų47.261%0.60924%0.241SC*.Iπ-helixtrans-70.5-41.4-179.3-74.4175.1176.9165.20113.8D151 L152 Y153D151-K155 WeakPolarHBondContact O-CB 3.47Å; D151-K155 WeakPolarHBondContact O-CG 3.37Å; D151-K155 PolarHBondContact O-N 3.46Å; D151-K155 WeakPolarHBondContact OD1-CE 3.46Å; D151-K155 IonicContact OD1-NZ 3.96Å; D151-K155 PolarHBondContact OD1-NZ 3.38Å; D151-K155 WeakPolarHBondContact OD2-CE 3.4Å; D151-K155 IonicContact OD2-NZ 3.25Å; D151-K155 PolarHBondContact OD2-NZ 3.29Å; L152-K155 PolarHBondContact O-N 3.35Å; Y153-K155 PolarHBondContact O-N 3.3Å
156A91.8Very high94.3Very high17 Ų1751.8 Ų51.814%0.1427%0.273CS..Iπ-helixtrans-113.8-38.5-165.200000113.1R97 E98 L152R97-A156 CarbonylContact O-C 3.1Å; R97-A156 VanDerWaalsContact O-O 3.05Å; E98-A156 HydrophobicContact CG-CB 4.03Å; L152-A156 HydrophobicContact CD1-CB 3.95Å; L152-A156 VanDerWaalsContact O-CB 3.24Å; L152-A156 WeakPolarHBondContact O-CB 3.39Å; L152-A156 PolarHBondContact O-N 3.49Å
157T91.4Very high94.5Very high10 Ų1056.9 Ų56.96%0.06129%0.292CS..Iπ-helixtrans-90.8-35.5-174.4-530000113V14 R97 Y153 P159 V160V14-T157 HydrophobicContact CG1-CG2 3.6Å; R97-T157 WeakPolarHBondContact CA-OG1 3.15Å; R97-T157 WeakPolarHBondContact O-CA 3.45Å; R97-T157 WeakPolarHBondContact O-CB 3.36Å; R97-T157 PolarHBondContact O-N 2.92Å; R97-T157 PolarHBondContact O-OG1 3.48Å; Y153-T157 HydrophobicContact CD2-CG2 3.75Å; Y153-T157 HydrophobicContact CE2-CG2 3.87Å; Y153-T157 CarbonylContact O-C 3.53Å; Y153-T157 WeakPolarHBondContact O-CA 3.4Å; Y153-T157 VanDerWaalsContact O-CB 3.29Å; Y153-T157 WeakPolarHBondContact O-CB 3.34Å; Y153-T157 PolarHBondContact O-N 3.39Å; T157-P159 VanDerWaalsContact C-N 3.34Å; T157-V160 WeakPolarHBondContact O-CB 3.38Å; T157-V160 WeakPolarHBondContact O-CG2 3.44Å; T157-V160 PolarHBondContact O-N 3.29Å
158E92.3Very high94.7Very high91 Ų9153.4 Ų53.443%0.42529%0.291SS..Hα-helixtrans-57.7-39.1176.1-171.7170.6-13900113.5Y153 Y154 V160 I161Y153-E158 PolarHBondContact O-N 2.94Å; Y154-E158 WeakPolarHBondContact O-CB 3.48Å; E158-V160 PolarHBondContact O-N 3.26Å; E158-V160 VanDerWaalsContact O-N 3.13Å; E158-I161 WeakPolarHBondContact O-CB 3.46Å; E158-I161 PolarHBondContact O-N 3.5Å
159P96.8Very high95Very high56 Ų5651 Ų5136%0.36428%0.282SS..Hα-helixtrans-56.3-27.2172-28.636.2000115.1V99 T157 I161 A162 F163V99-P159 HydrophobicContact CG2-CB 4.17Å; T157-P159 VanDerWaalsContact C-N 3.34Å; P159-I161 VanDerWaalsContact C-N 3.27Å; P159-I161 PolarHBondContact O-N 3.39Å; P159-A162 PolarHBondContact O-N 2.94Å; P159-F163 WeakPolarHBondContact O-CB 3.43Å; P159-F163 PolarHBondContact O-N 2.65Å
160V97.3Very high95.2Very high0 Ų050.5 Ų50.50%028%0.282CS..Hα-helixtrans-61.1-39.6174.2176.50000110.6P96 E98 V99 L115 T157 E158 F163 Y164P96-V160 HydrophobicContact CG-CG1 3.78Å; E98-V160 VanDerWaalsContact C-CG2 3.45Å; V99-V160 HydrophobicContact CG2-CG2 4.39Å; L115-V160 HydrophobicContact CD1-CG1 4.29Å; T157-V160 WeakPolarHBondContact O-CB 3.38Å; T157-V160 WeakPolarHBondContact O-CG2 3.44Å; T157-V160 PolarHBondContact O-N 3.29Å; E158-V160 PolarHBondContact O-N 3.26Å; E158-V160 VanDerWaalsContact O-N 3.13Å; V160-F163 PolarHBondContact O-N 3.14Å; V160-Y164 HydrophobicContact CG1-CD2 3.68Å; V160-Y164 HydrophobicContact CG1-CE2 3.83Å; V160-Y164 WeakPolarHBondContact O-CD2 3.12Å; V160-Y164 PolarHBondContact O-N 3.08Å
161I96.2Very high95.5Very high18 Ų1855.1 Ų55.19%0.09230%0.298CS..Hα-helixtrans-63.5-45.9179.5-53.6-55.2000109.8V14 L115 Y117 E158 P159 S165 V170V14-I161 HydrophobicContact CB-CD1 3.89Å; V14-I161 HydrophobicContact CG1-CD1 3.6Å; L115-I161 HydrophobicContact CD2-CD1 3.8Å; Y117-I161 HydrophobicContact CD1-CD1 4.49Å; Y117-I161 HydrophobicContact CD1-CG1 4.5Å; Y117-I161 HydrophobicContact CD1-CG2 3.95Å; Y117-I161 HydrophobicContact CD2-CD1 3.7Å; Y117-I161 HydrophobicContact CD2-CG1 4.13Å; Y117-I161 HydrophobicContact CE1-CG2 4.38Å; Y117-I161 HydrophobicContact CE2-CD1 4.31Å; Y117-I161 HydrophobicContact CE2-CG1 4.3Å; Y117-I161 HydrophobicContact CG-CD1 3.82Å; Y117-I161 HydrophobicContact CG-CG1 4.26Å; Y117-I161 HydrophobicContact CG-CG2 4.28Å; E158-I161 WeakPolarHBondContact O-CB 3.46Å; E158-I161 PolarHBondContact O-N 3.5Å; P159-I161 VanDerWaalsContact C-N 3.27Å; P159-I161 PolarHBondContact O-N 3.39Å; I161-S165 WeakPolarHBondContact O-CB 3.39Å; I161-S165 PolarHBondContact O-N 2.93Å; I161-S165 PolarHBondContact O-OG 3.13Å; I161-V170 HydrophobicContact CG2-CG1 4.28Å
162A94.7Very high95.6Very high67 Ų6757.7 Ų57.755%0.55431%0.306SS*.Hα-helixtrans-61.6-45.8177.300000111.8P159 Y164 S165 S166P159-A162 PolarHBondContact O-N 2.94Å; A162-Y164 PolarHBondContact O-N 3.28Å; A162-S165 PolarHBondContact O-N 2.93Å; A162-S166 PolarHBondContact O-N 2.93Å
163F97.8Very high95.9Very high45 Ų4556.1 Ų56.120%0.19730%0.297CS..Hα-helixtrans-55.2-53.2177.5179-100.1000112.3V99 E103 P159 V160 S166 R167V99-F163 HydrophobicContact CG1-CB 4.37Å; V99-F163 HydrophobicContact CG1-CD1 4.23Å; V99-F163 HydrophobicContact CG1-CD2 3.59Å; V99-F163 HydrophobicContact CG1-CE1 4.32Å; V99-F163 HydrophobicContact CG1-CE2 3.69Å; V99-F163 HydrophobicContact CG1-CG 3.83Å; V99-F163 HydrophobicContact CG1-CZ 4.02Å; V99-F163 HydrophobicContact CG2-CB 4.15Å; V99-F163 HydrophobicContact CG2-CG 4.49Å; E103-F163 HydrophobicContact CG-CE1 4.47Å; E103-F163 HydrophobicContact CG-CZ 3.83Å; P159-F163 WeakPolarHBondContact O-CB 3.43Å; P159-F163 PolarHBondContact O-N 2.65Å; V160-F163 PolarHBondContact O-N 3.14Å; F163-S166 PolarHBondContact O-N 3.01Å; F163-S166 PolarHBondContact O-OG 3.32Å; F163-R167 VanDerWaalsContact CE1-CZ 3.48Å
164Y98.1Very high96.1Very high0 Ų059.1 Ų59.10%031%0.314CS..Hα-helixtrans-75.7-22.8179.2-75.2-70000113.7F12 P96 G102 E106 P112 L115 V160 A162 S166 R167 G168 I169 V170F12-Y164 HydrophobicContact CD2-CE2 4.18Å; F12-Y164 HydrophobicContact CE2-CE2 4.17Å; F12-Y164 AromaticContact CE2-CZ 3.83Å; P96-Y164 HydrophobicContact CG-CE2 4.08Å; G102-Y164 VanDerWaalsContact CA-OH 3.27Å; G102-Y164 WeakPolarHBondContact CA-OH 3.18Å; E106-Y164 WeakPolarHBondContact OE1-CE1 3.47Å; E106-Y164 VanDerWaalsContact OE1-CZ 3.25Å; E106-Y164 PolarHBondContact OE1-OH 3.48Å; P112-Y164 HydrophobicContact CG-CE1 3.9Å; L115-Y164 HydrophobicContact CD1-CD2 3.45Å; L115-Y164 VanDerWaalsContact CD1-CD2 3.45Å; L115-Y164 HydrophobicContact CD1-CE2 4.28Å; L115-Y164 HydrophobicContact CD1-CG 3.76Å; V160-Y164 HydrophobicContact CG1-CD2 3.68Å; V160-Y164 HydrophobicContact CG1-CE2 3.83Å; V160-Y164 WeakPolarHBondContact O-CD2 3.12Å; V160-Y164 PolarHBondContact O-N 3.08Å; A162-Y164 PolarHBondContact O-N 3.28Å; Y164-S166 VanDerWaalsContact C-N 3.29Å; Y164-S166 PolarHBondContact O-N 3Å; Y164-R167 WeakPolarHBondContact O-CB 3.33Å; Y164-R167 PolarHBondContact O-N 3.49Å; Y164-G168 PolarHBondContact O-N 3.45Å; Y164-I169 HydrophobicContact CD1-CD1 3.54Å; Y164-I169 HydrophobicContact CD1-CG1 4.07Å; Y164-I169 HydrophobicContact CE1-CD1 4.19Å; Y164-I169 HydrophobicContact CG-CD1 4.27Å; Y164-V170 VanDerWaalsContact C-CG2 3.41Å
165S96.5Very high96.2Very high57 Ų5755 Ų5540%0.39930%0.298SS..Hα-helixtrans-63.1-39.4175-67.20000110.9I161 A162 R167 G168 V170I161-S165 WeakPolarHBondContact O-CB 3.39Å; I161-S165 PolarHBondContact O-N 2.93Å; I161-S165 PolarHBondContact O-OG 3.13Å; A162-S165 PolarHBondContact O-N 2.93Å; S165-R167 PolarHBondContact O-N 3.32Å; S165-R167 VanDerWaalsContact O-N 3.08Å; S165-G168 PolarHBondContact O-N 3.04Å; S165-V170 VanDerWaalsContact N-CG2 3.32Å
166S95.8Very high96.3Very high101 Ų10151.3 Ų51.371%0.70628%0.284SS*.THydrogen-bonded Turntrans-58.9-19.8173.577.10000113.8A162 F163 Y164A162-S166 PolarHBondContact O-N 2.93Å; F163-S166 PolarHBondContact O-N 3.01Å; F163-S166 PolarHBondContact O-OG 3.32Å; Y164-S166 VanDerWaalsContact C-N 3.29Å; Y164-S166 PolarHBondContact O-N 3Å
167R95.1Very high96.6Very high112 Ų11253 Ų5342%0.42329%0.29SS..THydrogen-bonded Turntrans-97.3-0.9179-55.4-178.5-179.9-164.5-1.4113.5E106 F163 Y164 S165 I169E106-R167 IonicContact OE1-CZ 3.78Å; E106-R167 IonicContact OE1-NH1 2.66Å; E106-R167 PolarHBondContact OE1-NH1 2.99Å; E106-R167 IonicContact OE1-NH2 3.77Å; E106-R167 IonicContact OE2-CZ 3.04Å; E106-R167 IonicContact OE2-NH1 3.4Å; E106-R167 PolarHBondContact OE2-NH1 3.29Å; F163-R167 VanDerWaalsContact CE1-CZ 3.48Å; Y164-R167 WeakPolarHBondContact O-CB 3.33Å; Y164-R167 PolarHBondContact O-N 3.49Å; S165-R167 PolarHBondContact O-N 3.32Å; S165-R167 VanDerWaalsContact O-N 3.08Å; R167-I169 VanDerWaalsContact C-N 3.26Å; R167-I169 PolarHBondContact O-N 2.83Å
168G96.7Very high96.9Very high49 Ų4956.2 Ų56.251%0.50531%0.311SS..THydrogen-bonded Turntrans74.73.4175.600000116.2Y164 S165 R171Y164-G168 PolarHBondContact O-N 3.45Å; S165-G168 PolarHBondContact O-N 3.04Å; G168-R171 PolarHBondContact O-NH1 3.49Å
169I97.6Very high97.1Very high36 Ų3655.3 Ų55.319%0.18531%0.312CS..  trans-92-2.4-176.569.8164.5000114P112 L114 L115 Y164 R167P112-I169 HydrophobicContact CB-CD1 4.27Å; P112-I169 HydrophobicContact CG-CD1 3.74Å; L114-I169 WeakPolarHBondContact CD1-O 3.38Å; L115-I169 HydrophobicContact CB-CD1 4.46Å; L115-I169 HydrophobicContact CB-CG1 4.44Å; L115-I169 PolarHBondContact N-O 3.27Å; Y164-I169 HydrophobicContact CD1-CD1 3.54Å; Y164-I169 HydrophobicContact CD1-CG1 4.07Å; Y164-I169 HydrophobicContact CE1-CD1 4.19Å; Y164-I169 HydrophobicContact CG-CD1 4.27Å; R167-I169 VanDerWaalsContact C-N 3.26Å; R167-I169 PolarHBondContact O-N 2.83Å
170V98.4Very high97.1Very high21 Ų2158 Ų5813%0.12732%0.322CS..EExtended strand (participates in β ladder)trans-81.2134.9-178.3178.30000110.6L115 I161 Y164 S165L115-V170 HydrophobicContact CB-CG2 4.19Å; L115-V170 HydrophobicContact CD2-CG1 4.21Å; L115-V170 HydrophobicContact CD2-CG2 4.17Å; L115-V170 CarbonylContact O-C 3.46Å; L115-V170 WeakPolarHBondContact O-CA 3.48Å; I161-V170 HydrophobicContact CG2-CG1 4.28Å; Y164-V170 VanDerWaalsContact C-CG2 3.41Å; S165-V170 VanDerWaalsContact N-CG2 3.32Å
171R98.4Very high97.2Very high114 Ų11463 Ų6343%0.4335%0.346SS..EExtended strand (participates in β ladder)trans-123.7109166.3-64-63.6179.1-84.7-4108.4L114 L115 L116 Y117 G168 A189L114-R171 HydrophobicContact CD1-CB 4.27Å; L114-R171 HydrophobicContact CD1-CG 3.52Å; L115-R171 PolarHBondContact O-N 3.34Å; L116-R171 HydrophobicContact CD2-CB 4.35Å; Y117-R171 PolarHBondContact N-O 3.08Å; G168-R171 PolarHBondContact O-NH1 3.49Å; R171-A189 HydrophobicContact CB-CB 3.96Å; R171-A189 HydrophobicContact CG-CB 3.94Å
172K98Very high97.3Very high134 Ų13462.3 Ų62.358%0.58334%0.343SS*.EExtended strand (participates in β ladder)trans-78.5130.5176.7-177.7174.4-178.7173.50109.9Y117 D119Y117-K172 HydrophobicContact CD1-CB 4.15Å; Y117-K172 HydrophobicContact CD1-CD 4.1Å; Y117-K172 HydrophobicContact CD1-CG 3.73Å; Y117-K172 HydrophobicContact CE1-CD 4.18Å; Y117-K172 HydrophobicContact CE1-CG 4.2Å; D119-K172 HydrophobicContact CB-CG 4.33Å; D119-K172 VanDerWaalsContact CG-CE 3.49Å; D119-K172 WeakPolarHBondContact OD2-CE 3.37Å; D119-K172 IonicContact OD2-NZ 3.29Å; D119-K172 PolarHBondContact OD2-NZ 3.38Å
173I98.3Very high97.5Very high8 Ų860.6 Ų60.64%0.04132%0.323CS..EExtended strand (participates in β ladder)trans-125.4120.9-179.2-49.8-64.6000107.8Y117 I118 D119 S175 V182 H185 V186Y117-I173 PolarHBondContact O-N 2.89Å; I118-I173 HydrophobicContact CD1-CB 4.04Å; I118-I173 HydrophobicContact CD1-CG1 4.16Å; I118-I173 HydrophobicContact CD1-CG2 4.5Å; D119-I173 PolarHBondContact N-O 3.41Å; I173-S175 PolarHBondContact O-N 3.47Å; I173-V182 HydrophobicContact CG2-CG1 3.76Å; I173-H185 HydrophobicContact CD1-CB 3.79Å; I173-H185 HydrophobicContact CG2-CB 3.95Å; I173-V186 HydrophobicContact CG1-CG2 4.21Å; I173-V186 HydrophobicContact CG2-CG2 4.23Å
174D97.6Very high97.5Very high74 Ų7460.3 Ų60.340%0.39633%0.333SS..EExtended strand (participates in β ladder)trans-70.4118.7171.4-176.91.6000109.6E176 L177 V182D174-E176 VanDerWaalsContact OD1-CB 3.28Å; D174-E176 WeakPolarHBondContact OD1-CB 3.24Å; D174-E176 WeakPolarHBondContact OD1-CG 3.48Å; D174-E176 PolarHBondContact OD1-N 3.02Å; D174-L177 HydrophobicContact CB-CD1 4.5Å; D174-V182 WeakPolarHBondContact O-CG2 3.32Å
175S97.2Very high97.5Very high4 Ų464.5 Ų64.53%0.02835%0.352CS..SBendtrans-98.88.4179.878.60000113.9S19 D119 A120 R128 I173 L177S19-S175 VanDerWaalsContact O-CB 3.3Å; S19-S175 WeakPolarHBondContact O-CB 3.29Å; S19-S175 PolarHBondContact O-OG 3.36Å; S19-S175 VanDerWaalsContact O-OG 3.13Å; D119-S175 VanDerWaalsContact O-CB 3.23Å; D119-S175 WeakPolarHBondContact O-CB 3.34Å; D119-S175 PolarHBondContact O-N 3.16Å; D119-S175 PolarHBondContact O-OG 3.23Å; A120-S175 VanDerWaalsContact CB-OG 3.25Å; A120-S175 WeakPolarHBondContact CB-OG 3.39Å; R128-S175 PolarHBondContact NH1-O 2.89Å; R128-S175 PolarHBondContact NH2-O 3.17Å; I173-S175 PolarHBondContact O-N 3.47Å; S175-L177 VanDerWaalsContact C-N 3.28Å
176E97.4Very high97.6Very high64 Ų6461.8 Ų61.830%0.29933%0.333SS..SBendtrans-76.3-19170.5-59-60.8151.800112.1K121 T124 D174K121-E176 WeakPolarHBondContact CB-OE1 3.14Å; K121-E176 HydrophobicContact CG-CG 4.46Å; K121-E176 PolarHBondContact N-OE1 3.19Å; T124-E176 VanDerWaalsContact CB-OE1 3.26Å; T124-E176 WeakPolarHBondContact CB-OE1 3.47Å; T124-E176 WeakPolarHBondContact CB-OE2 3.24Å; T124-E176 WeakPolarHBondContact CG2-OE2 3.19Å; T124-E176 VanDerWaalsContact OG1-CD 3.28Å; T124-E176 PolarHBondContact OG1-OE1 3.08Å; T124-E176 VanDerWaalsContact OG1-OE1 3.1Å; T124-E176 PolarHBondContact OG1-OE2 2.89Å; D174-E176 VanDerWaalsContact OD1-CB 3.28Å; D174-E176 WeakPolarHBondContact OD1-CB 3.24Å; D174-E176 WeakPolarHBondContact OD1-CG 3.48Å; D174-E176 PolarHBondContact OD1-N 3.02Å
177L96.5Very high97.7Very high53 Ų5357.3 Ų57.328%0.27730%0.302SS..SBendtrans-70.6162.8177.3-60.4174.1000112.6D174 S175 E181 V182D174-L177 HydrophobicContact CB-CD1 4.5Å; S175-L177 VanDerWaalsContact C-N 3.28Å; L177-E181 HydrophobicContact CB-CB 4.17Å; L177-V182 HydrophobicContact CB-CG2 3.82Å; L177-V182 WeakPolarHBondContact O-CG2 3.48Å
178P97.6Very high97.9Very high77 Ų7759.9 Ų59.950%0.532%0.316SS..  trans-53.8144.8170-26.736.5000112.4D180 E181 V182P178-D180 PolarHBondContact O-N 3.45Å; P178-E181 HydrophobicContact CB-CG 4.41Å; P178-E181 WeakPolarHBondContact CG-OE1 3.36Å; P178-E181 WeakPolarHBondContact O-CB 3.49Å; P178-E181 PolarHBondContact O-N 2.91Å; P178-V182 WeakPolarHBondContact O-CG2 3.4Å; P178-V182 PolarHBondContact O-N 3.28Å
179V97.3Very high97.9Very high72 Ų7258.1 Ų58.144%0.43630%0.297SS..Hα-helixtrans-53.4-38.3-170-174.30000113.1T23 Q24 K27 F183T23-V179 HydrophobicContact CG2-CG1 3.67Å; Q24-V179 PolarHBondContact NE2-O 3.25Å; Q24-V179 VanDerWaalsContact NE2-O 3.14Å; K27-V179 HydrophobicContact CD-CG1 4.3Å; K27-V179 VanDerWaalsContact CE-CG1 3.47Å; V179-F183 WeakPolarHBondContact O-CB 3.45Å; V179-F183 PolarHBondContact O-N 2.85Å
180D97.8Very high97.9Very high111 Ų11156.8 Ų56.859%0.59429%0.29SS*.Hα-helixtrans-74.5-32.2-180-66.3-31000112.9K27 P178 F183 G184K27-D180 WeakPolarHBondContact CE-OD1 3.23Å; K27-D180 IonicContact NZ-OD1 2.93Å; K27-D180 PolarHBondContact NZ-OD1 3.41Å; P178-D180 PolarHBondContact O-N 3.45Å; D180-F183 PolarHBondContact O-N 2.98Å; D180-G184 PolarHBondContact O-N 3Å
181E98.2Very high97.8Very high105 Ų10560.5 Ų60.549%0.49131%0.309SS..Hα-helixtrans-69.3-44.3172.5-68.6-177.9-139.600111L177 P178 F183 G184 H185L177-E181 HydrophobicContact CB-CB 4.17Å; P178-E181 HydrophobicContact CB-CG 4.41Å; P178-E181 WeakPolarHBondContact CG-OE1 3.36Å; P178-E181 WeakPolarHBondContact O-CB 3.49Å; P178-E181 PolarHBondContact O-N 2.91Å; E181-F183 PolarHBondContact O-N 3.39Å; E181-G184 PolarHBondContact O-N 3.22Å; E181-G184 VanDerWaalsContact O-N 3.08Å; E181-H185 PolarHBondContact O-N 3.35Å; E181-H185 VanDerWaalsContact O-N 3.16Å
182V98.4Very high97.6Very high4 Ų457.8 Ų57.82%0.02432%0.317CS..Hα-helixtrans-55-45.1171.6-179.30000109.8Q24 I173 D174 L177 P178 G184 H185 V186Q24-V182 HydrophobicContact CG-CG1 3.9Å; I173-V182 HydrophobicContact CG2-CG1 3.76Å; D174-V182 WeakPolarHBondContact O-CG2 3.32Å; L177-V182 HydrophobicContact CB-CG2 3.82Å; L177-V182 WeakPolarHBondContact O-CG2 3.48Å; P178-V182 WeakPolarHBondContact O-CG2 3.4Å; P178-V182 PolarHBondContact O-N 3.28Å; V182-G184 VanDerWaalsContact C-N 3.35Å; V182-G184 PolarHBondContact O-N 3.37Å; V182-H185 PolarHBondContact O-N 3.43Å; V182-V186 WeakPolarHBondContact O-CG2 3.11Å; V182-V186 PolarHBondContact O-N 3.25Å
183F98.7Very high97.1Very high32 Ų3253.4 Ų53.414%0.1430%0.3CS..Hα-helixtrans-66.1-35.8178.3-177.1-115.7000112.8Q24 K27 V28 K31 Y32 V179 D180 E181 H185 V186 A187Q24-F183 VanDerWaalsContact OE1-CB 3.29Å; K27-F183 HydrophobicContact CB-CD1 4.37Å; K27-F183 HydrophobicContact CB-CD2 3.42Å; K27-F183 VanDerWaalsContact CB-CD2 3.42Å; K27-F183 HydrophobicContact CB-CE1 4.33Å; K27-F183 HydrophobicContact CB-CE2 3.39Å; K27-F183 HydrophobicContact CB-CG 3.93Å; K27-F183 HydrophobicContact CB-CZ 3.86Å; K27-F183 HydrophobicContact CD-CB 3.69Å; K27-F183 HydrophobicContact CD-CD1 4.17Å; K27-F183 HydrophobicContact CD-CD2 3.91Å; K27-F183 HydrophobicContact CD-CG 3.64Å; K27-F183 HydrophobicContact CG-CD2 4.33Å; K27-F183 HydrophobicContact CG-CG 4.44Å; V28-F183 HydrophobicContact CG2-CE2 3.87Å; K31-F183 HydrophobicContact CB-CZ 3.93Å; K31-F183 HydrophobicContact CD-CE1 3.97Å; K31-F183 HydrophobicContact CD-CZ 3.77Å; K31-F183 HydrophobicContact CG-CZ 4.48Å; Y32-F183 HydrophobicContact CE2-CZ 4.44Å; V179-F183 WeakPolarHBondContact O-CB 3.45Å; V179-F183 PolarHBondContact O-N 2.85Å; D180-F183 PolarHBondContact O-N 2.98Å; E181-F183 PolarHBondContact O-N 3.39Å; F183-H185 VanDerWaalsContact C-N 3.27Å; F183-H185 PolarHBondContact O-N 2.98Å; F183-V186 HydrophobicContact CD2-CB 4.4Å; F183-V186 HydrophobicContact CD2-CG1 4.49Å; F183-V186 PolarHBondContact O-N 3.49Å; F183-A187 VanDerWaalsContact O-CB 3.29Å; F183-A187 WeakPolarHBondContact O-CB 3.41Å; F183-A187 PolarHBondContact O-N 3.12Å
184G98.6Very high95.2Very high39 Ų3965.9 Ų65.940%0.40235%0.354SS..Hα-helixtrans-56-42.3172.500000112.2D180 E181 V182 K188D180-G184 PolarHBondContact O-N 3Å; E181-G184 PolarHBondContact O-N 3.22Å; E181-G184 VanDerWaalsContact O-N 3.08Å; V182-G184 VanDerWaalsContact C-N 3.35Å; V182-G184 PolarHBondContact O-N 3.37Å; G184-K188 WeakPolarHBondContact O-CB 3.16Å; G184-K188 PolarHBondContact O-N 3.34Å
185H98.4Very high95Very high88 Ų8865.5 Ų65.541%0.40735%0.351SS..Hα-helixtrans-68.7-41.4175.1-63163.5000112.8I173 E181 V182 F183 K188 A189I173-H185 HydrophobicContact CD1-CB 3.79Å; I173-H185 HydrophobicContact CG2-CB 3.95Å; E181-H185 PolarHBondContact O-N 3.35Å; E181-H185 VanDerWaalsContact O-N 3.16Å; V182-H185 PolarHBondContact O-N 3.43Å; F183-H185 VanDerWaalsContact C-N 3.27Å; F183-H185 PolarHBondContact O-N 2.98Å; H185-K188 PolarHBondContact O-N 2.96Å; H185-A189 PolarHBondContact O-N 3.45Å
186V98.5Very high94.9Very high0 Ų068.7 Ų68.70%037%0.368CS..Hα-helixtrans-60.6-48.3174.9169.80000110.9Q24 V28 L116 I118 I173 V182 F183 K188 A189 I190Q24-V186 HydrophobicContact CB-CG2 4.43Å; Q24-V186 HydrophobicContact CG-CG2 4.46Å; V28-V186 HydrophobicContact CG2-CG1 3.54Å; L116-V186 HydrophobicContact CD1-CG1 3.9Å; I118-V186 HydrophobicContact CD1-CG2 4.13Å; I173-V186 HydrophobicContact CG1-CG2 4.21Å; I173-V186 HydrophobicContact CG2-CG2 4.23Å; V182-V186 WeakPolarHBondContact O-CG2 3.11Å; V182-V186 PolarHBondContact O-N 3.25Å; F183-V186 HydrophobicContact CD2-CB 4.4Å; F183-V186 HydrophobicContact CD2-CG1 4.49Å; F183-V186 PolarHBondContact O-N 3.49Å; V186-K188 PolarHBondContact O-N 3.39Å; V186-A189 WeakPolarHBondContact O-CB 3.49Å; V186-A189 PolarHBondContact O-N 2.68Å; V186-A189 VanDerWaalsContact O-N 3.15Å; V186-I190 HydrophobicContact CG1-CD1 3.98Å; V186-I190 WeakPolarHBondContact O-CG1 3.36Å; V186-I190 PolarHBondContact O-N 3.45Å
187A98.3Very high94.8Very high7 Ų768.9 Ų68.96%0.05837%0.372CS..Hα-helixtrans-58-47.6177.400000111.2Y32 F183 A189 I190 D191Y32-A187 WeakPolarHBondContact OH-CA 3.48Å; Y32-A187 VanDerWaalsContact OH-CB 3.31Å; Y32-A187 WeakPolarHBondContact OH-CB 3.35Å; Y32-A187 PolarHBondContact OH-O 3.03Å; F183-A187 VanDerWaalsContact O-CB 3.29Å; F183-A187 WeakPolarHBondContact O-CB 3.41Å; F183-A187 PolarHBondContact O-N 3.12Å; A187-A189 VanDerWaalsContact C-N 3.27Å; A187-A189 PolarHBondContact O-N 2.96Å; A187-I190 PolarHBondContact O-N 2.91Å; A187-I190 VanDerWaalsContact O-N 3.14Å; A187-D191 WeakPolarHBondContact O-CB 3.4Å; A187-D191 PolarHBondContact O-N 2.7Å
188K98.2Very high94.7Very high165 Ų16569.9 Ų69.972%0.71738%0.378SS*.Hα-helixtrans-58.4-38.3176.4-174.3178.8-179.2179.50112.6G184 H185 V186 G192G184-K188 WeakPolarHBondContact O-CB 3.16Å; G184-K188 PolarHBondContact O-N 3.34Å; H185-K188 PolarHBondContact O-N 2.96Å; V186-K188 PolarHBondContact O-N 3.39Å; K188-G192 PolarHBondContact O-N 3.46Å
189A97.7Very high94.5Very high13 Ų1369.4 Ų69.411%0.10737%0.37CS..Hα-helixtrans-66.7-41.5176.700000112.3L114 L116 R171 H185 V186 A187L114-A189 HydrophobicContact CD2-CB 4.38Å; L116-A189 HydrophobicContact CD2-CB 3.81Å; R171-A189 HydrophobicContact CB-CB 3.96Å; R171-A189 HydrophobicContact CG-CB 3.94Å; H185-A189 PolarHBondContact O-N 3.45Å; V186-A189 WeakPolarHBondContact O-CB 3.49Å; V186-A189 PolarHBondContact O-N 2.68Å; V186-A189 VanDerWaalsContact O-N 3.15Å; A187-A189 VanDerWaalsContact C-N 3.27Å; A187-A189 PolarHBondContact O-N 2.96Å
190I97.2Very high94.3Very high8 Ų869.3 Ų69.34%0.04137%0.366CS..Hα-helixtrans-71.1-43.8178.2-65.5175000111.2I11 V28 Y32 L114 L116 V186 A187 G192 L193I11-I190 HydrophobicContact CD1-CD1 4.27Å; I11-I190 HydrophobicContact CD1-CG1 4.02Å; V28-I190 HydrophobicContact CB-CD1 4.33Å; V28-I190 HydrophobicContact CG1-CD1 3.57Å; V28-I190 HydrophobicContact CG2-CD1 3.66Å; Y32-I190 HydrophobicContact CD1-CG2 4.31Å; Y32-I190 HydrophobicContact CD2-CD1 4.45Å; Y32-I190 HydrophobicContact CE1-CG2 4.11Å; Y32-I190 HydrophobicContact CE2-CD1 4.26Å; Y32-I190 HydrophobicContact CE2-CG2 4.36Å; L114-I190 HydrophobicContact CD2-CG1 4.22Å; L116-I190 HydrophobicContact CD1-CD1 4.38Å; V186-I190 HydrophobicContact CG1-CD1 3.98Å; V186-I190 WeakPolarHBondContact O-CG1 3.36Å; V186-I190 PolarHBondContact O-N 3.45Å; A187-I190 PolarHBondContact O-N 2.91Å; A187-I190 VanDerWaalsContact O-N 3.14Å; I190-G192 PolarHBondContact O-N 3.15Å; I190-L193 VanDerWaalsContact O-CB 3.28Å; I190-L193 WeakPolarHBondContact O-CB 3.31Å; I190-L193 WeakPolarHBondContact O-CG 3.4Å; I190-L193 PolarHBondContact O-N 2.67Å
191D96.7Very high94.1Very high98 Ų9866.3 Ų66.352%0.52435%0.35SS..Hα-helixtrans-64.1-21.7179.6-65-17.1000112K31 Y32 A187 L193K31-D191 IonicContact NZ-OD2 2.71Å; Y32-D191 WeakPolarHBondContact CE1-OD1 3.02Å; Y32-D191 VanDerWaalsContact CZ-OD1 3.25Å; Y32-D191 VanDerWaalsContact OH-CG 3.24Å; Y32-D191 PolarHBondContact OH-OD1 3.15Å; Y32-D191 PolarHBondContact OH-OD2 3.2Å; A187-D191 WeakPolarHBondContact O-CB 3.4Å; A187-D191 PolarHBondContact O-N 2.7Å; D191-L193 VanDerWaalsContact C-N 3.31Å
192G93.6Very high93.8Very high57 Ų5763.3 Ų63.359%0.58834%0.339SS*.THydrogen-bonded Turntrans-79-6.917400000115.1K188 I190 K194K188-G192 PolarHBondContact O-N 3.46Å; I190-G192 PolarHBondContact O-N 3.15Å; G192-K194 PolarHBondContact O-N 2.95Å; G192-K194 VanDerWaalsContact O-N 3.17Å
193L86.8Confident93.4Very high43 Ų4368.3 Ų68.323%0.22537%0.365CS..  trans-75.998.5173-59.7174.3000108.6I11 L114 I190 D191I11-L193 HydrophobicContact CD1-CD1 4.04Å; L114-L193 HydrophobicContact CB-CD1 4.16Å; L114-L193 HydrophobicContact CB-CD2 4.05Å; L114-L193 HydrophobicContact CD1-CD2 4.26Å; L114-L193 HydrophobicContact CD2-CD1 3.96Å; L114-L193 HydrophobicContact CD2-CD2 4.33Å; L114-L193 HydrophobicContact CD2-CG 4.32Å; L114-L193 HydrophobicContact CG-CD2 4.45Å; I190-L193 VanDerWaalsContact O-CB 3.28Å; I190-L193 WeakPolarHBondContact O-CB 3.31Å; I190-L193 WeakPolarHBondContact O-CG 3.4Å; I190-L193 PolarHBondContact O-N 2.67Å; D191-L193 VanDerWaalsContact C-N 3.31Å
194K58.1Low92.9Very high269 Ų26971.5 Ų71.5100%1.1739%0.385SS*.  trans-64.60171.5-69.8-174.5178.7-1790111.3G192G192-K194 PolarHBondContact O-N 2.95Å; G192-K194 VanDerWaalsContact O-N 3.17Å

Retrieved 194 of 194 residues in 1537.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).