A0A087X3Z3_POEFO Loading...

Fumarylacetoacetase

AlphaFold DB , UniProt , Accession A0A087X3Z3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 418 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M88.9Confident95.8Very high157 Ų15772.3 Ų72.377%0.77338%0.383SS*.  01390-68.4-60.8-100.200109H91M1-H91 PolarHBondContact O-N 3.46Å; M1-H91 PolarHBondContact O-ND1 2.77Å
2S96.7Very high96Very high19 Ų1967.6 Ų67.613%0.13336%0.357CS..BIsolated β-bridgetrans-85.6159178-174.30000112.1I4 L89S2-I4 VanDerWaalsContact C-N 3.26Å; S2-I4 PolarHBondContact OG-N 3.34Å; S2-L89 CarbonylContact C-O 3.17Å; S2-L89 WeakPolarHBondContact CA-O 3.37Å; S2-L89 VanDerWaalsContact CB-O 3.31Å; S2-L89 WeakPolarHBondContact CB-O 3.37Å; S2-L89 PolarHBondContact OG-O 3.36Å
3F97.6Very high96.2Very high36 Ų3662.6 Ų62.616%0.15833%0.331CS..SBendtrans-74.5-17.3163.667.8-99.4000112.8L88 L89 L96 R97 F107F3-L88 VanDerWaalsContact CE1-O 3.32Å; F3-L88 WeakPolarHBondContact CE1-O 3.19Å; F3-L89 WeakPolarHBondContact CD1-O 3.45Å; F3-L89 HydrophobicContact CE1-CD2 4.41Å; F3-L89 HydrophobicContact CZ-CD2 4.36Å; F3-L89 PolarHBondContact N-O 3.2Å; F3-L89 VanDerWaalsContact N-O 3.16Å; F3-L96 HydrophobicContact CZ-CD2 4.28Å; F3-L96 HydrophobicContact CZ-CG 4.17Å; F3-R97 HydrophobicContact CB-CG 3.78Å; F3-R97 HydrophobicContact CD1-CB 3.74Å; F3-R97 HydrophobicContact CD1-CG 3.94Å; F3-R97 HydrophobicContact CD2-CB 4.47Å; F3-R97 HydrophobicContact CD2-CG 4.16Å; F3-R97 HydrophobicContact CE1-CB 3.99Å; F3-R97 HydrophobicContact CG-CB 4Å; F3-R97 HydrophobicContact CG-CG 3.7Å; F3-R97 HydrophobicContact CZ-CB 4.49Å; F3-F107 HydrophobicContact CE2-CE2 4.17Å; F3-F107 HydrophobicContact CE2-CZ 4.24Å; F3-F107 AromaticContact CZ-CE2 3.99Å; F3-F107 HydrophobicContact CZ-CE2 3.99Å; F3-F107 AromaticContact CZ-CZ 3.95Å; F3-F107 HydrophobicContact CZ-CZ 3.95Å
4I97.5Very high96.3Very high17 Ų1760.9 Ų60.99%0.08732%0.318CS..SBendtrans-75.5134166.8-59.7-61.1000107.9S2 V6 I36 Q39 L89 F107S2-I4 VanDerWaalsContact C-N 3.26Å; S2-I4 PolarHBondContact OG-N 3.34Å; I4-V6 PolarHBondContact O-N 3.03Å; I4-I36 HydrophobicContact CB-CG1 4.03Å; I4-I36 HydrophobicContact CG1-CG1 4.41Å; I4-I36 HydrophobicContact CG1-CG2 4.42Å; I4-I36 HydrophobicContact CG2-CG1 4.15Å; I4-Q39 HydrophobicContact CG2-CG 4.29Å; I4-L89 HydrophobicContact CG1-CD2 4.49Å; I4-F107 HydrophobicContact CD1-CD1 4.39Å; I4-F107 HydrophobicContact CD1-CE1 3.99Å; I4-F107 HydrophobicContact CD1-CE2 4.31Å; I4-F107 HydrophobicContact CD1-CZ 3.93Å; I4-F107 HydrophobicContact CG1-CE1 3.98Å; I4-F107 HydrophobicContact CG1-CZ 4.01Å
5R95.9Very high96.5Very high233 Ų23360.7 Ų60.788%0.87932%0.315SS*.  trans-71.4125.9178.6-174.4179.3-179.6-175.9-0.4109.4
6V96.9Very high96.6Very high46 Ų4656.9 Ų56.928%0.27930%0.295SS..  trans-124.3128.5-179.4176.50000108.9I4 I36I4-V6 PolarHBondContact O-N 3.03Å; V6-I36 HydrophobicContact CG2-CD1 3.76Å; V6-I36 HydrophobicContact CG2-CG1 4.37Å
7N95.1Very high96.8Very high114 Ų11453.5 Ų53.561%0.6128%0.278SS*.  trans-74.1140.3170-172.5-49.2000109.5A9 S10N7-A9 PolarHBondContact O-N 3.09Å; N7-A9 PolarHBondContact OD1-N 3.14Å; N7-S10 WeakPolarHBondContact O-CB 3.11Å; N7-S10 PolarHBondContact O-N 3.35Å
8A92.8Very high96.9Very high59 Ų5950.6 Ų50.649%0.48826%0.263SS..THydrogen-bonded Turntrans-55.5-33.4178.100000113.3S10A8-S10 VanDerWaalsContact C-N 3.32Å
9A95.4Very high97Very high55 Ų5547.9 Ų47.946%0.45525%0.249SC..THydrogen-bonded Turntrans-84.8-1.1176.900000113.9N7N7-A9 PolarHBondContact O-N 3.09Å; N7-A9 PolarHBondContact OD1-N 3.14Å
10S97.9Very high97.1Very high24 Ų2445.6 Ų45.617%0.16824%0.237CC..  trans-66.7135.2177.1-175.30000110.6N7 A8 F12N7-S10 WeakPolarHBondContact O-CB 3.11Å; N7-S10 PolarHBondContact O-N 3.35Å; A8-S10 VanDerWaalsContact C-N 3.32Å; S10-F12 PolarHBondContact O-N 2.94Å; S10-F12 PolarHBondContact OG-N 3.42Å
11D98.6Very high97.2Very high35 Ų3543.4 Ų43.419%0.18723%0.225CC..SBendtrans-60.3-33.9170.6-75.9-5.3000111.6S13 N16 G404 G406D11-S13 PolarHBondContact O-N 3.16Å; D11-N16 PolarHBondContact O-ND2 2.85Å; D11-G404 PolarHBondContact O-N 2.96Å; D11-G406 WeakPolarHBondContact OD2-CA 3.41Å; D11-G406 PolarHBondContact OD2-N 2.78Å
12F98.8Very high97.6Very high16 Ų1635.9 Ų35.97%0.0719%0.188CC..BIsolated β-bridgetrans-99.560.7-170.5-47.9-57.1000111.1S10 P18 A35 G37 Q110 W262S10-F12 PolarHBondContact O-N 2.94Å; S10-F12 PolarHBondContact OG-N 3.42Å; F12-P18 HydrophobicContact CD1-CG 3.81Å; F12-P18 HydrophobicContact CE1-CG 4.1Å; F12-A35 HydrophobicContact CB-CB 3.96Å; F12-A35 HydrophobicContact CD1-CB 3.53Å; F12-A35 HydrophobicContact CD2-CB 4.2Å; F12-A35 HydrophobicContact CE1-CB 4.07Å; F12-A35 HydrophobicContact CG-CB 3.61Å; F12-G37 WeakPolarHBondContact CD2-O 3.25Å; F12-G37 PolarHBondContact O-N 3.33Å; F12-Q110 VanDerWaalsContact CE2-OE1 3.3Å; F12-W262 HydrophobicContact CE1-CB 4.37Å; F12-W262 AromaticContact CE1-CD1 3.58Å; F12-W262 AromaticContact CE1-CG 3.93Å; F12-W262 HydrophobicContact CE1-CG 3.93Å; F12-W262 AromaticContact CZ-CD1 3.45Å; F12-W262 VanDerWaalsContact CZ-CD1 3.45Å; F12-W262 HydrophobicContact CZ-CG 4.24Å; F12-W262 AromaticContact CZ-NE1 3.63Å
13S98.6Very high97.8Very high3 Ų335.6 Ų35.62%0.02119%0.186CC..  trans-68.7166.2173.269.70000112.4D11 Q15 N16 R402D11-S13 PolarHBondContact O-N 3.16Å; S13-Q15 PolarHBondContact O-N 3.21Å; S13-Q15 VanDerWaalsContact O-N 3.17Å; S13-Q15 PolarHBondContact OG-N 2.79Å; S13-Q15 PolarHBondContact OG-OE1 3.4Å; S13-N16 PolarHBondContact O-N 2.74Å; S13-N16 PolarHBondContact OG-N 2.88Å; S13-R402 WeakPolarHBondContact CB-O 3.35Å; S13-R402 PolarHBondContact OG-O 3.28Å
14Y98Very high97.8Very high38 Ų3834.3 Ų34.315%0.14918%0.181CC..THydrogen-bonded Turntrans-59.2-23.3171.5174.7-98000112.6L17 Q86 L89Y14-L17 WeakPolarHBondContact O-CG 3.31Å; Y14-Q86 HydrophobicContact CE2-CB 4.46Å; Y14-Q86 VanDerWaalsContact CE2-O 3.28Å; Y14-Q86 WeakPolarHBondContact CE2-O 2.99Å; Y14-Q86 VanDerWaalsContact OH-C 3.24Å; Y14-Q86 WeakPolarHBondContact OH-CA 3.35Å; Y14-Q86 WeakPolarHBondContact OH-CB 3.35Å; Y14-Q86 PolarHBondContact OH-O 3.18Å; Y14-L89 HydrophobicContact CD2-CB 4.24Å; Y14-L89 HydrophobicContact CE2-CB 4.06Å
15Q98.6Very high97.8Very high58 Ų5839.4 Ų39.427%0.27122%0.219SC..THydrogen-bonded Turntrans-82.8-19.1176.2-64.883.6-19.700112.4S13 R82 Y401 V403S13-Q15 PolarHBondContact O-N 3.21Å; S13-Q15 VanDerWaalsContact O-N 3.17Å; S13-Q15 PolarHBondContact OG-N 2.79Å; S13-Q15 PolarHBondContact OG-OE1 3.4Å; Q15-R82 PolarHBondContact O-NH2 3.11Å; Q15-Y401 HydrophobicContact CB-CD2 3.7Å; Q15-Y401 HydrophobicContact CB-CE2 3.46Å; Q15-Y401 VanDerWaalsContact CB-CE2 3.46Å; Q15-Y401 HydrophobicContact CG-CD2 3.8Å; Q15-Y401 HydrophobicContact CG-CE1 4.36Å; Q15-Y401 HydrophobicContact CG-CE2 3.58Å; Q15-Y401 HydrophobicContact CG-CG 4.28Å; Q15-V403 HydrophobicContact CB-CG2 4.36Å
16N98.8Very high97.8Very high0 Ų034.9 Ų34.90%021%0.212CC..THydrogen-bonded Turntrans-82.5-73.1-179.4-172.5-2000111.6D11 S13 P18 R82 A268 V403 G404D11-N16 PolarHBondContact O-ND2 2.85Å; S13-N16 PolarHBondContact O-N 2.74Å; S13-N16 PolarHBondContact OG-N 2.88Å; N16-P18 WeakPolarHBondContact OD1-CD 3.16Å; N16-R82 PolarHBondContact O-NH1 2.81Å; N16-A268 WeakPolarHBondContact O-CB 3.48Å; N16-V403 HydrophobicContact CB-CB 4.42Å; N16-V403 HydrophobicContact CB-CG1 4.12Å; N16-V403 HydrophobicContact CB-CG2 4.21Å; N16-G404 PolarHBondContact ND2-O 2.77Å
17L98.9Very high97.8Very high0 Ų035.6 Ų35.60%021%0.214CC..  trans50.359.7-176.3-50.9179.6000113.5Y14 V34 I36 L85 Q86 L89Y14-L17 WeakPolarHBondContact O-CG 3.31Å; L17-V34 HydrophobicContact CB-CG1 3.79Å; L17-V34 HydrophobicContact CD2-CG1 4.11Å; L17-I36 HydrophobicContact CD2-CB 4.4Å; L17-I36 HydrophobicContact CD2-CD1 4.16Å; L17-L85 HydrophobicContact CD1-CB 4.2Å; L17-Q86 HydrophobicContact CD1-CG 3.7Å; L17-L89 HydrophobicContact CD1-CD1 4.4Å; L17-L89 HydrophobicContact CD2-CD1 3.55Å
18P98.9Very high98Very high0 Ų035.1 Ų35.10%022%0.217CC..  trans-77.2153.7178.535.5-33.7000111.2F12 N16 V34 A35 W262 V263 V264F12-P18 HydrophobicContact CD1-CG 3.81Å; F12-P18 HydrophobicContact CE1-CG 4.1Å; N16-P18 WeakPolarHBondContact OD1-CD 3.16Å; P18-V34 VanDerWaalsContact O-CA 3.29Å; P18-V34 WeakPolarHBondContact O-CA 3.49Å; P18-A35 HydrophobicContact CG-CB 3.86Å; P18-A35 PolarHBondContact O-N 3.05Å; P18-W262 HydrophobicContact CB-CB 3.97Å; P18-W262 HydrophobicContact CG-CB 4.01Å; P18-W262 HydrophobicContact CG-CD2 4.33Å; P18-W262 HydrophobicContact CG-CE3 4.2Å; P18-W262 HydrophobicContact CG-CG 4.27Å; P18-V263 WeakPolarHBondContact CA-O 3.34Å; P18-V263 WeakPolarHBondContact CB-O 3.01Å; P18-V264 HydrophobicContact CB-CG2 4.07Å
19Y98.9Very high98.2Very high1 Ų138.9 Ų38.90%0.00422%0.219CC..EExtended strand (participates in β ladder)trans-96.9144.3179.3-56.7-82.2000110.8V34 L43 F70 L85 F226 V263 P265Y19-V34 HydrophobicContact CD1-CG2 3.52Å; Y19-V34 HydrophobicContact CE1-CG2 3.71Å; Y19-V34 HydrophobicContact CG-CG2 4.45Å; Y19-L43 HydrophobicContact CD1-CD1 4.15Å; Y19-L43 HydrophobicContact CE1-CD1 4.2Å; Y19-F70 HydrophobicContact CD1-CE1 4.03Å; Y19-F70 HydrophobicContact CD2-CE1 4.3Å; Y19-F70 AromaticContact CE1-CE1 3.74Å; Y19-F70 HydrophobicContact CE1-CE1 3.74Å; Y19-F70 HydrophobicContact CE1-CZ 4.2Å; Y19-F70 HydrophobicContact CE2-CE1 4.02Å; Y19-F70 HydrophobicContact CG-CE1 4.3Å; Y19-F70 AromaticContact CZ-CE1 3.74Å; Y19-L85 HydrophobicContact CE1-CD1 3.89Å; Y19-F226 HydrophobicContact CD2-CE1 4.07Å; Y19-F226 AromaticContact CD2-CZ 3.63Å; Y19-F226 HydrophobicContact CD2-CZ 3.63Å; Y19-F226 HydrophobicContact CE2-CZ 4.08Å; Y19-F226 HydrophobicContact CG-CZ 4.18Å; Y19-V263 PolarHBondContact N-O 3.32Å; Y19-V263 PolarHBondContact O-N 3.32Å; Y19-P265 HydrophobicContact CD2-CB 4.43Å; Y19-P265 HydrophobicContact CD2-CG 4.45Å; Y19-P265 HydrophobicContact CE2-CB 3.98Å; Y19-P265 HydrophobicContact CE2-CG 4.01Å
20G98.9Very high98.4Very high0 Ų039.8 Ų39.80%021%0.213CC..EExtended strand (participates in β ladder)trans-156.8168.6177.400000112.4I32 G33G20-I32 WeakPolarHBondContact O-CA 3.38Å; G20-G33 PolarHBondContact N-O 3.24Å; G20-G33 PolarHBondContact O-N 3.32Å
21V98.9Very high98.4Very high0 Ų039.8 Ų39.80%021%0.21CC..EExtended strand (participates in β ladder)trans-109.1128.2175.21780000108.7H30 R31 P65 L67 M115 H116 P118V21-H30 HydrophobicContact CG1-CB 3.75Å; V21-R31 WeakPolarHBondContact CA-O 3.42Å; V21-P65 WeakPolarHBondContact CG1-O 3.5Å; V21-L67 HydrophobicContact CG2-CG 4.47Å; V21-M115 WeakPolarHBondContact O-CE 3.32Å; V21-H116 HydrophobicContact CB-CB 4.27Å; V21-H116 HydrophobicContact CG1-CB 3.94Å; V21-H116 PolarHBondContact O-N 3.46Å; V21-P118 WeakPolarHBondContact CG2-O 3.39Å
22F98.9Very high98.4Very high0 Ų038.1 Ų38.10%020%0.201CC..EExtended strand (participates in β ladder)trans-137.3160.8-17978.4-74.1000111.8T24 R31 I40 D42 V108 A113 T114 M115F22-T24 HydrophobicContact CD2-CG2 4.32Å; F22-T24 HydrophobicContact CE2-CG2 4.25Å; F22-R31 VanDerWaalsContact CD1-O 3.32Å; F22-R31 WeakPolarHBondContact CD1-O 3.43Å; F22-R31 HydrophobicContact CE1-CB 4.16Å; F22-R31 PolarHBondContact N-O 2.85Å; F22-R31 PolarHBondContact O-N 3.48Å; F22-I40 HydrophobicContact CB-CD1 4.21Å; F22-I40 HydrophobicContact CD1-CG2 3.82Å; F22-I40 HydrophobicContact CD2-CD1 4.14Å; F22-I40 HydrophobicContact CE1-CG2 3.67Å; F22-I40 HydrophobicContact CE2-CG2 4.43Å; F22-I40 HydrophobicContact CG-CD1 4.06Å; F22-I40 HydrophobicContact CG-CG2 4.28Å; F22-I40 HydrophobicContact CZ-CG2 4Å; F22-D42 HydrophobicContact CE1-CB 4.45Å; F22-D42 HydrophobicContact CZ-CB 4.01Å; F22-V108 HydrophobicContact CE2-CB 4.18Å; F22-V108 HydrophobicContact CE2-CG1 4.27Å; F22-V108 HydrophobicContact CE2-CG2 4.02Å; F22-V108 HydrophobicContact CZ-CG2 4.43Å; F22-A113 HydrophobicContact CB-CB 4.37Å; F22-A113 HydrophobicContact CD2-CB 4.12Å; F22-T114 CarbonylContact C-O 3.59Å; F22-T114 VanDerWaalsContact CA-O 3.28Å; F22-T114 WeakPolarHBondContact CA-O 3.48Å; F22-M115 HydrophobicContact CB-CE 4.34Å; F22-M115 HydrophobicContact CB-SD 3.8Å
23S98.9Very high98.4Very high12 Ų1237.4 Ų37.48%0.08420%0.198CC..EExtended strand (participates in β ladder)trans-135.2172.7163.5680000109.1A113 T114 H116S23-A113 WeakPolarHBondContact O-CA 3.24Å; S23-T114 PolarHBondContact N-O 3.47Å; S23-T114 PolarHBondContact O-N 3.43Å; S23-H116 WeakPolarHBondContact CB-NE2 3.36Å; S23-H116 PolarHBondContact OG-NE2 2.88Å
24T98.6Very high98.4Very high9 Ų937.2 Ų37.26%0.05520%0.197CC..EExtended strand (participates in β ladder)trans-131.3164.9176.649.50000109.3F22 D26 N27 R31 V108F22-T24 HydrophobicContact CD2-CG2 4.32Å; F22-T24 HydrophobicContact CE2-CG2 4.25Å; T24-D26 WeakPolarHBondContact CB-OD1 3.44Å; T24-D26 PolarHBondContact O-N 2.8Å; T24-D26 PolarHBondContact OG1-OD1 2.71Å; T24-N27 PolarHBondContact N-O 3.16Å; T24-N27 CarbonylContact O-C 3.55Å; T24-N27 PolarHBondContact O-N 3.24Å; T24-N27 VanDerWaalsContact O-O 3.07Å; T24-N27 PolarHBondContact OG1-N 3.45Å; T24-N27 PolarHBondContact OG1-O 2.89Å; T24-R31 PolarHBondContact OG1-NH2 2.78Å; T24-V108 HydrophobicContact CG2-CG1 3.5Å
25S97.3Very high98.5Very high125 Ų12535.4 Ų35.487%0.87419%0.19SC*.SBendtrans-62-31.7179.460.80000113.2
26D95.9Very high98.5Very high138 Ų13832.7 Ų32.774%0.73818%0.177SC*.SBendtrans-85.8-21.9178.266.5-33.6000113.4T24T24-D26 WeakPolarHBondContact CB-OD1 3.44Å; T24-D26 PolarHBondContact O-N 2.8Å; T24-D26 PolarHBondContact OG1-OD1 2.71Å
27N97.6Very high98.5Very high61 Ų6133 Ų3333%0.32618%0.18SC..  trans-136.595.4176.1-172.7-9.1000110.9T24 R29 R31T24-N27 PolarHBondContact N-O 3.16Å; T24-N27 CarbonylContact O-C 3.55Å; T24-N27 PolarHBondContact O-N 3.24Å; T24-N27 VanDerWaalsContact O-O 3.07Å; T24-N27 PolarHBondContact OG1-N 3.45Å; T24-N27 PolarHBondContact OG1-O 2.89Å; N27-R29 PolarHBondContact O-N 2.63Å; N27-R29 WeakPolarHBondContact OD1-CB 3.37Å; N27-R29 PolarHBondContact OD1-N 2.84Å; N27-R31 PolarHBondContact ND2-NH1 2.88Å; N27-R31 PolarHBondContact O-NH1 2.8Å; N27-R31 PolarHBondContact OD1-NH1 2.89Å
28P97.8Very high98.4Very high104 Ų10437.6 Ų37.668%0.67520%0.204SC*.  trans-75.5-5.6-175.131.6-36.4000113.5H30P28-H30 PolarHBondContact O-N 2.87Å
29R98.3Very high98.4Very high138 Ų13839.7 Ų39.752%0.52121%0.214SC..SBendtrans-64.4134.3175.3-177.6179.4172.3-176.2-1.1109.5N27 R31 D63N27-R29 PolarHBondContact O-N 2.63Å; N27-R29 WeakPolarHBondContact OD1-CB 3.37Å; N27-R29 PolarHBondContact OD1-N 2.84Å; R29-R31 HydrophobicContact CG-CG 4.27Å; R29-R31 WeakPolarHBondContact O-CG 3.2Å; R29-R31 PolarHBondContact O-NH1 2.85Å; R29-D63 PolarHBondContact NH2-O 3.12Å
30H98.7Very high98.4Very high73 Ų7339.6 Ų39.634%0.33821%0.214SC..  trans-69.9127.1170.1-66.5-167.6000109.4V21 P28 P65 H116V21-H30 HydrophobicContact CG1-CB 3.75Å; P28-H30 PolarHBondContact O-N 2.87Å; H30-P65 HydrophobicContact CB-CB 3.97Å; H30-H116 AromaticContact CD2-CD2 3.76Å; H30-H116 AromaticContact CD2-CE1 3.88Å; H30-H116 AromaticContact CD2-NE2 3.57Å; H30-H116 AromaticContact CE1-CE1 3.87Å; H30-H116 AromaticContact CE1-CG 3.69Å; H30-H116 AromaticContact CE1-ND1 3.59Å; H30-H116 AromaticContact ND1-CG 3.99Å; H30-H116 AromaticContact NE2-CD2 3.84Å; H30-H116 AromaticContact NE2-CE1 3.33Å; H30-H116 PolarHBondContact NE2-CE1 2.96Å; H30-H116 VanDerWaalsContact NE2-CE1 3.33Å; H30-H116 AromaticContact NE2-CG 3.82Å; H30-H116 AromaticContact NE2-ND1 3.53Å; H30-H116 AromaticContact NE2-NE2 3.53Å
31R98.5Very high98.4Very high25 Ų2539.6 Ų39.69%0.09421%0.214CC..EExtended strand (participates in β ladder)trans-135.4151.6-175.5-58.6-176.3-55.3-81.213.6110.1V21 F22 T24 N27 R29 D42V21-R31 WeakPolarHBondContact CA-O 3.42Å; F22-R31 VanDerWaalsContact CD1-O 3.32Å; F22-R31 WeakPolarHBondContact CD1-O 3.43Å; F22-R31 HydrophobicContact CE1-CB 4.16Å; F22-R31 PolarHBondContact N-O 2.85Å; F22-R31 PolarHBondContact O-N 3.48Å; T24-R31 PolarHBondContact OG1-NH2 2.78Å; N27-R31 PolarHBondContact ND2-NH1 2.88Å; N27-R31 PolarHBondContact O-NH1 2.8Å; N27-R31 PolarHBondContact OD1-NH1 2.89Å; R29-R31 HydrophobicContact CG-CG 4.27Å; R29-R31 WeakPolarHBondContact O-CG 3.2Å; R29-R31 PolarHBondContact O-NH1 2.85Å; R31-D42 WeakPolarHBondContact CD-OD2 3.47Å; R31-D42 IonicContact CZ-OD2 2.67Å; R31-D42 IonicContact NE-OD2 2.71Å; R31-D42 PolarHBondContact NE-OD2 3.02Å; R31-D42 IonicContact NH2-OD2 2.82Å
32I98.9Very high98.4Very high0 Ų040 Ų400%022%0.216CC..EExtended strand (participates in β ladder)trans-84130.3177.9-65.2162.6000109.3G20 L43 V61 F62 Q64 L67G20-I32 WeakPolarHBondContact O-CA 3.38Å; I32-L43 HydrophobicContact CG2-CB 4.29Å; I32-L43 HydrophobicContact CG2-CD1 3.77Å; I32-L43 HydrophobicContact CG2-CG 4.14Å; I32-L43 PolarHBondContact O-N 3.12Å; I32-V61 WeakPolarHBondContact CD1-O 3.37Å; I32-F62 HydrophobicContact CG2-CD1 4.43Å; I32-Q64 HydrophobicContact CD1-CB 4.38Å; I32-L67 HydrophobicContact CB-CD2 4.41Å; I32-L67 HydrophobicContact CD1-CD2 4.14Å; I32-L67 HydrophobicContact CG1-CD2 3.95Å; I32-L67 HydrophobicContact CG2-CD2 3.58Å
33G98.9Very high98.4Very high0 Ų040 Ų400%022%0.216CC..EExtended strand (participates in β ladder)trans-134.6164.4177.600000113.3G20 L41G20-G33 PolarHBondContact N-O 3.24Å; G20-G33 PolarHBondContact O-N 3.32Å; G33-L41 CarbonylContact C-O 3.56Å; G33-L41 WeakPolarHBondContact CA-O 3.45Å
34V98.9Very high98.4Very high0 Ų040.2 Ų40.20%022%0.221CC..EExtended strand (participates in β ladder)trans-121.8128.9173.6170.70000110.2L17 P18 Y19 I40 L41 L43 L85L17-V34 HydrophobicContact CB-CG1 3.79Å; L17-V34 HydrophobicContact CD2-CG1 4.11Å; P18-V34 VanDerWaalsContact O-CA 3.29Å; P18-V34 WeakPolarHBondContact O-CA 3.49Å; Y19-V34 HydrophobicContact CD1-CG2 3.52Å; Y19-V34 HydrophobicContact CE1-CG2 3.71Å; Y19-V34 HydrophobicContact CG-CG2 4.45Å; V34-I40 CarbonylContact O-C 3.49Å; V34-I40 WeakPolarHBondContact O-CA 3.42Å; V34-L41 PolarHBondContact N-O 3.35Å; V34-L41 PolarHBondContact O-N 2.81Å; V34-L43 HydrophobicContact CB-CD2 4.38Å; V34-L43 HydrophobicContact CG2-CD1 3.89Å; V34-L43 HydrophobicContact CG2-CD2 3.83Å; V34-L43 HydrophobicContact CG2-CG 4.07Å; V34-L85 HydrophobicContact CG2-CD1 3.92Å; V34-L85 HydrophobicContact CG2-CD2 4.46Å
35A98.9Very high98.4Very high0 Ų041.3 Ų41.30%023%0.227CC..EExtended strand (participates in β ladder)trans-77.4135.4178.300000112F12 P18 W262F12-A35 HydrophobicContact CB-CB 3.96Å; F12-A35 HydrophobicContact CD1-CB 3.53Å; F12-A35 HydrophobicContact CD2-CB 4.2Å; F12-A35 HydrophobicContact CE1-CB 4.07Å; F12-A35 HydrophobicContact CG-CB 3.61Å; P18-A35 HydrophobicContact CG-CB 3.86Å; P18-A35 PolarHBondContact O-N 3.05Å; A35-W262 HydrophobicContact CB-CD2 3.99Å; A35-W262 HydrophobicContact CB-CE3 4.03Å; A35-W262 HydrophobicContact CB-CH2 3.93Å; A35-W262 HydrophobicContact CB-CZ2 3.86Å; A35-W262 HydrophobicContact CB-CZ3 4.01Å
36I98.8Very high98.5Very high0 Ų035.3 Ų35.30%019%0.185CC..EExtended strand (participates in β ladder)trans-149.9117.9172.7178.462.5000110.1I4 V6 L17 D38 Q39 L89 F107I4-I36 HydrophobicContact CB-CG1 4.03Å; I4-I36 HydrophobicContact CG1-CG1 4.41Å; I4-I36 HydrophobicContact CG1-CG2 4.42Å; I4-I36 HydrophobicContact CG2-CG1 4.15Å; V6-I36 HydrophobicContact CG2-CD1 3.76Å; V6-I36 HydrophobicContact CG2-CG1 4.37Å; L17-I36 HydrophobicContact CD2-CB 4.4Å; L17-I36 HydrophobicContact CD2-CD1 4.16Å; I36-D38 PolarHBondContact O-N 3.07Å; I36-Q39 HydrophobicContact CG2-CB 4.49Å; I36-Q39 PolarHBondContact N-O 3.36Å; I36-Q39 WeakPolarHBondContact O-CB 3.44Å; I36-Q39 PolarHBondContact O-N 2.64Å; I36-L89 HydrophobicContact CB-CD1 4.46Å; I36-L89 HydrophobicContact CG1-CD1 4.5Å; I36-L89 HydrophobicContact CG2-CD1 4.47Å; I36-L89 HydrophobicContact CG2-CD2 4.21Å; I36-F107 HydrophobicContact CG2-CE1 3.85Å
37G98.4Very high98.6Very high6 Ų629.6 Ų29.66%0.06216%0.156CC..THydrogen-bonded Turntrans60.4-125.6-171.300000111F12 Q110F12-G37 WeakPolarHBondContact CD2-O 3.25Å; F12-G37 PolarHBondContact O-N 3.33Å; G37-Q110 PolarHBondContact O-NE2 3.35Å
38D98.3Very high98.6Very high97 Ų9730.4 Ų30.452%0.51917%0.166SC..THydrogen-bonded Turntrans-99.212.2173.862.70.3000113I36 Q110I36-D38 PolarHBondContact O-N 3.07Å; D38-Q110 WeakPolarHBondContact O-CB 3.45Å; D38-Q110 WeakPolarHBondContact O-CG 3.35Å; D38-Q110 PolarHBondContact O-N 3.36Å
39Q98.8Very high98.6Very high44 Ų4427.4 Ų27.421%0.20614%0.144CC..EExtended strand (participates in β ladder)trans-110.9162.2-178-53.8-63.9-65.100111.7I4 I36 F107 V108 Q110I4-Q39 HydrophobicContact CG2-CG 4.29Å; I36-Q39 HydrophobicContact CG2-CB 4.49Å; I36-Q39 PolarHBondContact N-O 3.36Å; I36-Q39 WeakPolarHBondContact O-CB 3.44Å; I36-Q39 PolarHBondContact O-N 2.64Å; Q39-F107 HydrophobicContact CB-CD1 3.86Å; Q39-F107 HydrophobicContact CG-CD1 4.45Å; Q39-V108 CarbonylContact C-O 3.6Å; Q39-V108 WeakPolarHBondContact CA-O 3.32Å; Q39-Q110 PolarHBondContact O-NE2 2.53Å
40I98.9Very high98.6Very high0 Ų020.9 Ų20.90%012%0.12CC..EExtended strand (participates in β ladder)trans-118.3126.6167-54.5178.2000107.4F22 V34 F107 V108 Q110 A113 M115 W262F22-I40 HydrophobicContact CB-CD1 4.21Å; F22-I40 HydrophobicContact CD1-CG2 3.82Å; F22-I40 HydrophobicContact CD2-CD1 4.14Å; F22-I40 HydrophobicContact CE1-CG2 3.67Å; F22-I40 HydrophobicContact CE2-CG2 4.43Å; F22-I40 HydrophobicContact CG-CD1 4.06Å; F22-I40 HydrophobicContact CG-CG2 4.28Å; F22-I40 HydrophobicContact CZ-CG2 4Å; V34-I40 CarbonylContact O-C 3.49Å; V34-I40 WeakPolarHBondContact O-CA 3.42Å; I40-F107 WeakPolarHBondContact O-CA 3.34Å; I40-V108 PolarHBondContact N-O 3.05Å; I40-V108 PolarHBondContact O-N 2.83Å; I40-Q110 HydrophobicContact CD1-CG 4.14Å; I40-Q110 HydrophobicContact CG1-CG 3.58Å; I40-A113 HydrophobicContact CD1-CB 3.47Å; I40-A113 VanDerWaalsContact CD1-CB 3.47Å; I40-M115 HydrophobicContact CD1-SD 4.14Å; I40-W262 HydrophobicContact CD1-CH2 3.87Å; I40-W262 HydrophobicContact CD1-CZ2 3.85Å; I40-W262 HydrophobicContact CG1-CH2 3.86Å; I40-W262 HydrophobicContact CG1-CZ2 3.95Å; I40-W262 HydrophobicContact CG2-CH2 4Å
41L98.9Very high98.6Very high0 Ų024.1 Ų24.10%014%0.138CC..EExtended strand (participates in β ladder)trans-88114.3169.217660.4000109.2G33 V34 L43 I46 L85 L89 L96 A106 F107G33-L41 CarbonylContact C-O 3.56Å; G33-L41 WeakPolarHBondContact CA-O 3.45Å; V34-L41 PolarHBondContact N-O 3.35Å; V34-L41 PolarHBondContact O-N 2.81Å; L41-L43 HydrophobicContact CG-CD2 4.35Å; L41-L43 PolarHBondContact O-N 2.96Å; L41-I46 HydrophobicContact CD1-CD1 4.05Å; L41-I46 HydrophobicContact CD1-CG1 4.36Å; L41-I46 HydrophobicContact CD1-CG2 4.23Å; L41-I46 HydrophobicContact CD2-CD1 3.7Å; L41-I46 HydrophobicContact CG-CD1 3.93Å; L41-I46 HydrophobicContact CG-CG1 4.48Å; L41-L85 HydrophobicContact CD2-CD2 3.66Å; L41-L89 HydrophobicContact CD2-CD1 4.2Å; L41-L89 HydrophobicContact CD2-CD2 4.07Å; L41-L89 HydrophobicContact CD2-CG 4.19Å; L41-L96 HydrophobicContact CD1-CD2 3.99Å; L41-L96 HydrophobicContact CD2-CD2 4.39Å; L41-A106 CarbonylContact C-O 3.56Å; L41-A106 WeakPolarHBondContact CA-O 3.19Å; L41-A106 HydrophobicContact CD1-CB 3.95Å; L41-F107 HydrophobicContact CB-CD1 4.29Å; L41-F107 HydrophobicContact CB-CE1 3.88Å; L41-F107 HydrophobicContact CB-CZ 4.47Å; L41-F107 HydrophobicContact CD1-CD1 4.46Å; L41-F107 HydrophobicContact CD1-CE1 4.04Å; L41-F107 HydrophobicContact CD1-CE2 4.12Å; L41-F107 HydrophobicContact CD1-CZ 3.87Å; L41-F107 HydrophobicContact CG-CE1 4.45Å
42D98.8Very high98.5Very high7 Ų723.7 Ų23.74%0.03714%0.142CC..EExtended strand (participates in β ladder)trans-73.5110.8177.9-169.2-44.1000110.5F22 R31 G44 V45 A106F22-D42 HydrophobicContact CE1-CB 4.45Å; F22-D42 HydrophobicContact CZ-CB 4.01Å; R31-D42 WeakPolarHBondContact CD-OD2 3.47Å; R31-D42 IonicContact CZ-OD2 2.67Å; R31-D42 IonicContact NE-OD2 2.71Å; R31-D42 PolarHBondContact NE-OD2 3.02Å; R31-D42 IonicContact NH2-OD2 2.82Å; D42-G44 VanDerWaalsContact C-N 3.34Å; D42-G44 PolarHBondContact O-N 2.8Å; D42-G44 PolarHBondContact OD1-N 2.67Å; D42-V45 HydrophobicContact CB-CB 4.22Å; D42-V45 HydrophobicContact CB-CG2 3.92Å; D42-V45 PolarHBondContact O-N 2.92Å; D42-V45 PolarHBondContact OD1-N 3.15Å; D42-A106 PolarHBondContact N-O 3.25Å
43L98.8Very high98.5Very high0 Ų028.6 Ų28.60%017%0.173CC..Hα-helixtrans-72.3-27.9-174.7-61.9-163.2000112.7Y19 I32 V34 L41 V45 I46 S47 F50 F62 L85Y19-L43 HydrophobicContact CD1-CD1 4.15Å; Y19-L43 HydrophobicContact CE1-CD1 4.2Å; I32-L43 HydrophobicContact CG2-CB 4.29Å; I32-L43 HydrophobicContact CG2-CD1 3.77Å; I32-L43 HydrophobicContact CG2-CG 4.14Å; I32-L43 PolarHBondContact O-N 3.12Å; V34-L43 HydrophobicContact CB-CD2 4.38Å; V34-L43 HydrophobicContact CG2-CD1 3.89Å; V34-L43 HydrophobicContact CG2-CD2 3.83Å; V34-L43 HydrophobicContact CG2-CG 4.07Å; L41-L43 HydrophobicContact CG-CD2 4.35Å; L41-L43 PolarHBondContact O-N 2.96Å; L43-V45 VanDerWaalsContact C-N 3.26Å; L43-V45 PolarHBondContact O-N 3.41Å; L43-I46 HydrophobicContact CD2-CD1 4.13Å; L43-I46 HydrophobicContact CD2-CG1 4.38Å; L43-I46 PolarHBondContact O-N 2.99Å; L43-S47 WeakPolarHBondContact O-CA 3.3Å; L43-S47 WeakPolarHBondContact O-CB 3.38Å; L43-S47 PolarHBondContact O-N 3.46Å; L43-F50 HydrophobicContact CD2-CZ 4.4Å; L43-F62 HydrophobicContact CB-CB 3.91Å; L43-F62 HydrophobicContact CB-CD1 3.91Å; L43-F62 HydrophobicContact CB-CD2 4.33Å; L43-F62 HydrophobicContact CB-CG 3.81Å; L43-F62 HydrophobicContact CD1-CD1 3.61Å; L43-F62 HydrophobicContact CD1-CE1 3.5Å; L43-F62 HydrophobicContact CD1-CG 4.28Å; L43-F62 HydrophobicContact CD1-CZ 4.07Å; L43-F62 HydrophobicContact CG-CD1 4.43Å; L43-L85 HydrophobicContact CD2-CD2 3.7Å
44G98.3Very high98.4Very high18 Ų1830.4 Ų30.419%0.18618%0.184CC..Hα-helixtrans-65-33.5174.800000111.6D42 S47D42-G44 VanDerWaalsContact C-N 3.34Å; D42-G44 PolarHBondContact O-N 2.8Å; D42-G44 PolarHBondContact OD1-N 2.67Å; G44-S47 PolarHBondContact O-OG 2.9Å
45V98.5Very high98.4Very high31 Ų3130.4 Ų30.419%0.18818%0.184CC..Hα-helixtrans-71.5-31.4178.2175.90000112.9D42 L43 L102 R105 A106D42-V45 HydrophobicContact CB-CB 4.22Å; D42-V45 HydrophobicContact CB-CG2 3.92Å; D42-V45 PolarHBondContact O-N 2.92Å; D42-V45 PolarHBondContact OD1-N 3.15Å; L43-V45 VanDerWaalsContact C-N 3.26Å; L43-V45 PolarHBondContact O-N 3.41Å; V45-L102 HydrophobicContact CG1-CD1 3.83Å; V45-R105 HydrophobicContact CG1-CG 4.25Å; V45-A106 HydrophobicContact CB-CB 4.36Å; V45-A106 HydrophobicContact CG1-CB 3.82Å
46I98.6Very high98.3Very high0 Ų032.9 Ų32.90%020%0.202CC..Hα-helixtrans-1108.7-176.662.6149.3000113.8L41 L43 S48 L49 F50 L85 L88 L96 L102 A106L41-I46 HydrophobicContact CD1-CD1 4.05Å; L41-I46 HydrophobicContact CD1-CG1 4.36Å; L41-I46 HydrophobicContact CD1-CG2 4.23Å; L41-I46 HydrophobicContact CD2-CD1 3.7Å; L41-I46 HydrophobicContact CG-CD1 3.93Å; L41-I46 HydrophobicContact CG-CG1 4.48Å; L43-I46 HydrophobicContact CD2-CD1 4.13Å; L43-I46 HydrophobicContact CD2-CG1 4.38Å; L43-I46 PolarHBondContact O-N 2.99Å; I46-S48 PolarHBondContact O-N 3.04Å; I46-S48 VanDerWaalsContact O-N 3.13Å; I46-L49 HydrophobicContact CB-CD1 4.18Å; I46-L49 HydrophobicContact CG2-CD1 4.44Å; I46-L49 WeakPolarHBondContact O-CB 3.43Å; I46-L49 PolarHBondContact O-N 2.92Å; I46-F50 HydrophobicContact CD1-CE2 3.91Å; I46-F50 HydrophobicContact CD1-CZ 4.35Å; I46-F50 HydrophobicContact CG1-CE2 4.19Å; I46-L85 HydrophobicContact CD1-CD2 4.24Å; I46-L88 HydrophobicContact CD1-CD1 4.07Å; I46-L96 HydrophobicContact CG2-CD1 4.16Å; I46-L102 HydrophobicContact CG2-CD1 4.33Å; I46-L102 HydrophobicContact CG2-CD2 4.38Å; I46-L102 HydrophobicContact CG2-CG 4.38Å; I46-A106 HydrophobicContact CG2-CB 3.78Å
47S98.1Very high98.2Very high17 Ų1740.4 Ų40.412%0.11924%0.235CC..G310 helixtrans-54.7-36.3-172.9600000113L43 G44 L49 F50 H59L43-S47 WeakPolarHBondContact O-CA 3.3Å; L43-S47 WeakPolarHBondContact O-CB 3.38Å; L43-S47 PolarHBondContact O-N 3.46Å; G44-S47 PolarHBondContact O-OG 2.9Å; S47-L49 PolarHBondContact O-N 2.87Å; S47-L49 VanDerWaalsContact O-N 3.1Å; S47-F50 WeakPolarHBondContact O-CB 3.4Å; S47-F50 WeakPolarHBondContact O-CD2 3.31Å; S47-F50 PolarHBondContact O-N 2.8Å; S47-F50 VanDerWaalsContact O-N 3.09Å; S47-H59 PolarHBondContact O-CD2 2.93Å; S47-H59 VanDerWaalsContact O-CD2 3.27Å; S47-H59 PolarHBondContact O-NE2 2.97Å
48S97.6Very high98.2Very high78 Ų7843.4 Ų43.455%0.54525%0.247SC..G310 helixtrans-63.7-16.1177.566.30000114.6I46 F50I46-S48 PolarHBondContact O-N 3.04Å; I46-S48 VanDerWaalsContact O-N 3.13Å; S48-F50 VanDerWaalsContact C-N 3.29Å
49L98.4Very high98.1Very high42 Ų4241.1 Ų41.122%0.2223%0.233CC..G310 helixtrans-80.5-10.4177.3-58.7-176.3000112.9I46 S47 I51 L88 T95 L102I46-L49 HydrophobicContact CB-CD1 4.18Å; I46-L49 HydrophobicContact CG2-CD1 4.44Å; I46-L49 WeakPolarHBondContact O-CB 3.43Å; I46-L49 PolarHBondContact O-N 2.92Å; S47-L49 PolarHBondContact O-N 2.87Å; S47-L49 VanDerWaalsContact O-N 3.1Å; L49-I51 VanDerWaalsContact C-N 3.28Å; L49-I51 PolarHBondContact O-N 3.48Å; L49-L88 HydrophobicContact CB-CD1 3.9Å; L49-L88 HydrophobicContact CB-CD2 4.44Å; L49-L88 HydrophobicContact CD1-CD1 3.92Å; L49-L88 HydrophobicContact CD1-CD2 3.85Å; L49-T95 HydrophobicContact CD1-CG2 4.18Å; L49-T95 HydrophobicContact CD2-CG2 4.06Å; L49-L102 HydrophobicContact CD1-CD2 4.01Å
50F98.4Very high98.1Very high0 Ų043.3 Ų43.30%025%0.246CC..  trans-8370.5177.2-67.4-99.3000111.1L43 I46 S47 S48 G52 M55 S56 H59 F62 A81 T84 L85L43-F50 HydrophobicContact CD2-CZ 4.4Å; I46-F50 HydrophobicContact CD1-CE2 3.91Å; I46-F50 HydrophobicContact CD1-CZ 4.35Å; I46-F50 HydrophobicContact CG1-CE2 4.19Å; S47-F50 WeakPolarHBondContact O-CB 3.4Å; S47-F50 WeakPolarHBondContact O-CD2 3.31Å; S47-F50 PolarHBondContact O-N 2.8Å; S47-F50 VanDerWaalsContact O-N 3.09Å; S48-F50 VanDerWaalsContact C-N 3.29Å; F50-G52 VanDerWaalsContact C-N 3.32Å; F50-G52 PolarHBondContact O-N 2.74Å; F50-M55 HydrophobicContact CB-CB 3.77Å; F50-M55 HydrophobicContact CD1-CG 4.44Å; F50-M55 CarbonylContact O-C 3.5Å; F50-S56 WeakPolarHBondContact O-CA 3.33Å; F50-S56 PolarHBondContact O-N 3.32Å; F50-H59 PolarHBondContact O-NE2 3.47Å; F50-F62 AromaticContact CD1-CE2 3.91Å; F50-F62 HydrophobicContact CD1-CE2 3.91Å; F50-F62 HydrophobicContact CD1-CZ 4.33Å; F50-F62 HydrophobicContact CD2-CD2 4.2Å; F50-F62 AromaticContact CD2-CE2 3.69Å; F50-F62 HydrophobicContact CD2-CE2 3.69Å; F50-F62 AromaticContact CE1-CE2 3.87Å; F50-F62 HydrophobicContact CE1-CE2 3.87Å; F50-F62 HydrophobicContact CE1-CZ 4.01Å; F50-F62 HydrophobicContact CE2-CD2 4.13Å; F50-F62 AromaticContact CE2-CE2 3.63Å; F50-F62 HydrophobicContact CE2-CE2 3.63Å; F50-F62 HydrophobicContact CE2-CZ 4.39Å; F50-F62 AromaticContact CG-CE2 3.82Å; F50-F62 HydrophobicContact CG-CE2 3.82Å; F50-F62 AromaticContact CZ-CE2 3.71Å; F50-F62 HydrophobicContact CZ-CE2 3.71Å; F50-F62 HydrophobicContact CZ-CZ 4.02Å; F50-A81 HydrophobicContact CD1-CB 4.28Å; F50-A81 HydrophobicContact CE1-CB 3.9Å; F50-T84 HydrophobicContact CD1-CG2 3.72Å; F50-T84 HydrophobicContact CE1-CG2 3.96Å; F50-T84 HydrophobicContact CG-CG2 4.13Å; F50-L85 HydrophobicContact CE1-CG 4.17Å; F50-L85 HydrophobicContact CZ-CD1 4.46Å; F50-L85 HydrophobicContact CZ-CD2 4.02Å; F50-L85 HydrophobicContact CZ-CG 3.96Å
51I98Very high98.1Very high142 Ų14243.5 Ų43.573%0.72825%0.247SC*.  trans-87.58.5-172.661.2166.2000114.5L49L49-I51 VanDerWaalsContact C-N 3.28Å; L49-I51 PolarHBondContact O-N 3.48Å
52G97.8Very high98.1Very high16 Ų1643.6 Ų43.617%0.16525%0.247CC..SBendtrans-70.6165.9-179.200000113.2F50 V54 S56 E80F50-G52 VanDerWaalsContact C-N 3.32Å; F50-G52 PolarHBondContact O-N 2.74Å; G52-V54 PolarHBondContact O-N 2.8Å; G52-S56 WeakPolarHBondContact O-CB 3.38Å; G52-S56 PolarHBondContact O-N 3.09Å; G52-S56 PolarHBondContact O-OG 2.79Å; G52-E80 WeakPolarHBondContact CA-OE1 3.43Å
53P97.9Very high98Very high103 Ų10346.6 Ų46.667%0.66926%0.264SS*.THydrogen-bonded Turntrans-58.8-30.4-171.922.8-35000114.4E80P53-E80 WeakPolarHBondContact CD-OE2 3.05Å; P53-E80 WeakPolarHBondContact CG-OE2 3.18Å
54V97.3Very high98Very high37 Ų3750.1 Ų50.122%0.22428%0.28CS..THydrogen-bonded Turntrans-88.4-58.9178.3-174.50000110.1G52 S56 K57 H58 E76 A77 E80G52-V54 PolarHBondContact O-N 2.8Å; V54-S56 VanDerWaalsContact C-N 3.31Å; V54-S56 PolarHBondContact O-N 3.18Å; V54-K57 PolarHBondContact O-N 2.99Å; V54-H58 PolarHBondContact O-CD2 2.78Å; V54-H58 VanDerWaalsContact O-CD2 3.31Å; V54-E76 HydrophobicContact CG2-CB 4.42Å; V54-A77 HydrophobicContact CG1-CB 3.67Å; V54-E80 PolarHBondContact N-OE1 3.16Å; V54-E80 PolarHBondContact N-OE2 2.9Å; V54-E80 VanDerWaalsContact N-OE2 3.1Å
55M98.2Very high98Very high0 Ų052.2 Ų52.20%029%0.29CS..G310 helixtrans-70.1-24.6-170.1-66.4-58.6-54.100113.6F50 K57 H58 H59 V61 F62 F70 L73 A77 E80 A81F50-M55 HydrophobicContact CB-CB 3.77Å; F50-M55 HydrophobicContact CD1-CG 4.44Å; F50-M55 CarbonylContact O-C 3.5Å; M55-K57 PolarHBondContact O-N 2.59Å; M55-H58 CarbonylContact O-C 3.59Å; M55-H58 PolarHBondContact O-N 3.33Å; M55-H59 PolarHBondContact O-CD2 3Å; M55-H59 PolarHBondContact O-N 2.9Å; M55-H59 PolarHBondContact O-NE2 3.39Å; M55-V61 HydrophobicContact CE-CG2 4.11Å; M55-F62 HydrophobicContact CE-CD2 4.37Å; M55-F62 HydrophobicContact CE-CE1 4.33Å; M55-F62 HydrophobicContact CE-CE2 3.46Å; M55-F62 VanDerWaalsContact CE-CE2 3.46Å; M55-F62 HydrophobicContact CE-CZ 3.43Å; M55-F62 VanDerWaalsContact CE-CZ 3.43Å; M55-F70 HydrophobicContact CE-CD2 4.48Å; M55-F70 HydrophobicContact CE-CE2 4.32Å; M55-F70 HydrophobicContact SD-CE2 4.26Å; M55-L73 HydrophobicContact CE-CD1 4.19Å; M55-L73 HydrophobicContact SD-CD1 3.88Å; M55-A77 HydrophobicContact SD-CB 3.88Å; M55-E80 VanDerWaalsContact CB-OE1 3.23Å; M55-E80 WeakPolarHBondContact CB-OE1 3.38Å; M55-E80 HydrophobicContact CG-CB 4.37Å; M55-E80 HydrophobicContact CG-CG 4.26Å; M55-E80 WeakPolarHBondContact CG-OE1 3.39Å; M55-E80 PolarHBondContact N-OE1 3.07Å; M55-A81 HydrophobicContact CG-CB 4.42Å; M55-A81 HydrophobicContact SD-CB 4.43Å
56S97.6Very high98Very high53 Ų5351.6 Ų51.637%0.37129%0.287SS..G310 helixtrans-57.5-19.2178.156.70000114.6F50 G52 V54F50-S56 WeakPolarHBondContact O-CA 3.33Å; F50-S56 PolarHBondContact O-N 3.32Å; G52-S56 WeakPolarHBondContact O-CB 3.38Å; G52-S56 PolarHBondContact O-N 3.09Å; G52-S56 PolarHBondContact O-OG 2.79Å; V54-S56 VanDerWaalsContact C-N 3.31Å; V54-S56 PolarHBondContact O-N 3.18Å
57K97.3Very high98Very high158 Ų15851.6 Ų51.669%0.68729%0.287SS*.G310 helixtrans-101.4-3.5179.5-58.9174.7-170.7166.90113.5V54 M55V54-K57 PolarHBondContact O-N 2.99Å; M55-K57 PolarHBondContact O-N 2.59Å
58H97.7Very high98.1Very high68 Ų6852.2 Ų52.232%0.31529%0.289SS..  trans-138.334.5-167.1-60.2-62.7000112.3V54 M55 D60 V61 L73V54-H58 PolarHBondContact O-CD2 2.78Å; V54-H58 VanDerWaalsContact O-CD2 3.31Å; M55-H58 CarbonylContact O-C 3.59Å; M55-H58 PolarHBondContact O-N 3.33Å; H58-D60 VanDerWaalsContact C-OD1 3.31Å; H58-D60 WeakPolarHBondContact CA-OD1 3.34Å; H58-D60 PolarHBondContact O-N 2.88Å; H58-V61 HydrophobicContact CB-CG1 4.26Å; H58-V61 VanDerWaalsContact O-CG2 3.23Å; H58-V61 WeakPolarHBondContact O-CG2 3.26Å; H58-V61 PolarHBondContact O-N 2.8Å; H58-L73 HydrophobicContact CB-CD1 3.79Å; H58-L73 HydrophobicContact CB-CD2 4.15Å
59H97.4Very high98.1Very high50 Ų5049.9 Ų49.923%0.23127%0.274CS..G310 helixtrans-62.8-28.8177.6-66164.7000112.9S47 F50 M55 V61 F62S47-H59 PolarHBondContact O-CD2 2.93Å; S47-H59 VanDerWaalsContact O-CD2 3.27Å; S47-H59 PolarHBondContact O-NE2 2.97Å; F50-H59 PolarHBondContact O-NE2 3.47Å; M55-H59 PolarHBondContact O-CD2 3Å; M55-H59 PolarHBondContact O-N 2.9Å; M55-H59 PolarHBondContact O-NE2 3.39Å; H59-V61 PolarHBondContact O-N 3.21Å; H59-F62 PolarHBondContact O-N 2.9Å; H59-F62 VanDerWaalsContact O-N 3.11Å
60D97.9Very high98.1Very high90 Ų9047.9 Ų47.948%0.48126%0.264SS..G310 helixtrans-61.9-20.6-178.362.9-61.5000113.4H58 F62 D63 Q64H58-D60 VanDerWaalsContact C-OD1 3.31Å; H58-D60 WeakPolarHBondContact CA-OD1 3.34Å; H58-D60 PolarHBondContact O-N 2.88Å; D60-F62 PolarHBondContact O-N 2.76Å; D60-D63 PolarHBondContact O-N 3.45Å; D60-Q64 PolarHBondContact O-NE2 2.99Å
61V98.5Very high98.2Very high4 Ų447.9 Ų47.92%0.02426%0.264CS..G310 helixtrans-64.7-28.2175.5-51.60000112.1I32 M55 H58 H59 D63 Q64 A69 F70 L73I32-V61 WeakPolarHBondContact CD1-O 3.37Å; M55-V61 HydrophobicContact CE-CG2 4.11Å; H58-V61 HydrophobicContact CB-CG1 4.26Å; H58-V61 VanDerWaalsContact O-CG2 3.23Å; H58-V61 WeakPolarHBondContact O-CG2 3.26Å; H58-V61 PolarHBondContact O-N 2.8Å; H59-V61 PolarHBondContact O-N 3.21Å; V61-D63 VanDerWaalsContact C-N 3.31Å; V61-Q64 WeakPolarHBondContact O-CB 3.33Å; V61-Q64 WeakPolarHBondContact O-CG 3.49Å; V61-Q64 PolarHBondContact O-N 3.34Å; V61-A69 HydrophobicContact CB-CB 4.14Å; V61-A69 HydrophobicContact CG1-CB 4.1Å; V61-F70 HydrophobicContact CB-CB 4.34Å; V61-F70 HydrophobicContact CG2-CB 4.07Å; V61-F70 HydrophobicContact CG2-CD2 4.05Å; V61-F70 HydrophobicContact CG2-CG 4.48Å; V61-L73 HydrophobicContact CG1-CD1 4Å; V61-L73 HydrophobicContact CG1-CD2 4.33Å; V61-L73 HydrophobicContact CG1-CG 4.29Å; V61-L73 HydrophobicContact CG2-CD1 4.1Å
62F98.6Very high98.2Very high1 Ų143.3 Ų43.30%0.00424%0.244CC..G310 helixtrans-81.3-10.6178.3-63.5-40.9000113.7I32 L43 F50 M55 H59 D60 F70 A81I32-F62 HydrophobicContact CG2-CD1 4.43Å; L43-F62 HydrophobicContact CB-CB 3.91Å; L43-F62 HydrophobicContact CB-CD1 3.91Å; L43-F62 HydrophobicContact CB-CD2 4.33Å; L43-F62 HydrophobicContact CB-CG 3.81Å; L43-F62 HydrophobicContact CD1-CD1 3.61Å; L43-F62 HydrophobicContact CD1-CE1 3.5Å; L43-F62 HydrophobicContact CD1-CG 4.28Å; L43-F62 HydrophobicContact CD1-CZ 4.07Å; L43-F62 HydrophobicContact CG-CD1 4.43Å; F50-F62 AromaticContact CD1-CE2 3.91Å; F50-F62 HydrophobicContact CD1-CE2 3.91Å; F50-F62 HydrophobicContact CD1-CZ 4.33Å; F50-F62 HydrophobicContact CD2-CD2 4.2Å; F50-F62 AromaticContact CD2-CE2 3.69Å; F50-F62 HydrophobicContact CD2-CE2 3.69Å; F50-F62 AromaticContact CE1-CE2 3.87Å; F50-F62 HydrophobicContact CE1-CE2 3.87Å; F50-F62 HydrophobicContact CE1-CZ 4.01Å; F50-F62 HydrophobicContact CE2-CD2 4.13Å; F50-F62 AromaticContact CE2-CE2 3.63Å; F50-F62 HydrophobicContact CE2-CE2 3.63Å; F50-F62 HydrophobicContact CE2-CZ 4.39Å; F50-F62 AromaticContact CG-CE2 3.82Å; F50-F62 HydrophobicContact CG-CE2 3.82Å; F50-F62 AromaticContact CZ-CE2 3.71Å; F50-F62 HydrophobicContact CZ-CE2 3.71Å; F50-F62 HydrophobicContact CZ-CZ 4.02Å; M55-F62 HydrophobicContact CE-CD2 4.37Å; M55-F62 HydrophobicContact CE-CE1 4.33Å; M55-F62 HydrophobicContact CE-CE2 3.46Å; M55-F62 VanDerWaalsContact CE-CE2 3.46Å; M55-F62 HydrophobicContact CE-CZ 3.43Å; M55-F62 VanDerWaalsContact CE-CZ 3.43Å; H59-F62 PolarHBondContact O-N 2.9Å; H59-F62 VanDerWaalsContact O-N 3.11Å; D60-F62 PolarHBondContact O-N 2.76Å; F62-F70 HydrophobicContact CE1-CD1 4.46Å; F62-F70 AromaticContact CE1-CD2 3.86Å; F62-F70 HydrophobicContact CE1-CD2 3.86Å; F62-F70 HydrophobicContact CE1-CE2 4.01Å; F62-F70 HydrophobicContact CE1-CG 4.12Å; F62-F70 HydrophobicContact CE1-CZ 4.35Å; F62-F70 HydrophobicContact CZ-CD2 4.31Å; F62-F70 HydrophobicContact CZ-CE2 4.12Å; F62-A81 HydrophobicContact CZ-CB 4.31Å
63D97.4Very high98.2Very high71 Ų7144.7 Ų44.738%0.3825%0.248SC..G310 helixtrans-89.8-3.3172.2-73.7-36.6000112.7R29 D60 V61R29-D63 PolarHBondContact NH2-O 3.12Å; D60-D63 PolarHBondContact O-N 3.45Å; V61-D63 VanDerWaalsContact C-N 3.31Å
64Q98.6Very high98.2Very high73 Ų7340.3 Ų40.334%0.34122%0.221SC..SBendtrans-74.1153.1-179.4-60.6-55.3-43.600112.3I32 D60 V61 T66 A69I32-Q64 HydrophobicContact CD1-CB 4.38Å; D60-Q64 PolarHBondContact O-NE2 2.99Å; V61-Q64 WeakPolarHBondContact O-CB 3.33Å; V61-Q64 WeakPolarHBondContact O-CG 3.49Å; V61-Q64 PolarHBondContact O-N 3.34Å; Q64-T66 PolarHBondContact O-N 3.41Å; Q64-A69 HydrophobicContact CG-CB 3.83Å
65P98.6Very high98.1Very high62 Ų6242.9 Ų42.940%0.40323%0.227SC..SBendtrans-75-11.3177.332.4-36.5000113.3V21 H30V21-P65 WeakPolarHBondContact CG1-O 3.5Å; H30-P65 HydrophobicContact CB-CB 3.97Å
66T98.8Very high98.1Very high18 Ų1849.8 Ų49.811%0.1126%0.26CS..SBendtrans-142.7158-176.754.50000111.3Q64 N68 D120Q64-T66 PolarHBondContact O-N 3.41Å; T66-N68 WeakPolarHBondContact CB-OD1 3.25Å; T66-N68 PolarHBondContact O-N 2.95Å; T66-N68 PolarHBondContact OG1-OD1 2.82Å; T66-D120 WeakPolarHBondContact CG2-OD2 3.34Å; T66-D120 PolarHBondContact OG1-OD2 2.93Å
67L98.9Very high98.1Very high0 Ų047.2 Ų47.20%024%0.242CC..THydrogen-bonded Turntrans-73.3-7.8-178.1-68.8174.2000114.2V21 I32 A69 F70 M71 P118 F226 V263V21-L67 HydrophobicContact CG2-CG 4.47Å; I32-L67 HydrophobicContact CB-CD2 4.41Å; I32-L67 HydrophobicContact CD1-CD2 4.14Å; I32-L67 HydrophobicContact CG1-CD2 3.95Å; I32-L67 HydrophobicContact CG2-CD2 3.58Å; L67-A69 VanDerWaalsContact C-N 3.31Å; L67-A69 PolarHBondContact O-N 3.35Å; L67-F70 HydrophobicContact CD2-CD1 4.42Å; L67-F70 CarbonylContact O-C 3.53Å; L67-F70 WeakPolarHBondContact O-CA 3.45Å; L67-F70 PolarHBondContact O-N 2.87Å; L67-M71 HydrophobicContact CB-CE 3.74Å; L67-M71 HydrophobicContact CB-CG 4.26Å; L67-M71 HydrophobicContact CB-SD 4.12Å; L67-M71 HydrophobicContact CD1-CE 4Å; L67-M71 WeakPolarHBondContact O-CG 2.89Å; L67-M71 PolarHBondContact O-N 2.95Å; L67-P118 VanDerWaalsContact CB-O 3.26Å; L67-P118 WeakPolarHBondContact CB-O 3.47Å; L67-P118 HydrophobicContact CD1-CB 3.92Å; L67-P118 VanDerWaalsContact CG-O 3.28Å; L67-P118 WeakPolarHBondContact CG-O 3.16Å; L67-P118 PolarHBondContact N-O 3.14Å; L67-F226 HydrophobicContact CD1-CE1 4.44Å; L67-V263 HydrophobicContact CD1-CB 4.45Å; L67-V263 HydrophobicContact CD1-CG2 4.01Å
68N98.8Very high98.2Very high30 Ų3040.4 Ų40.416%0.1621%0.212CC..Hα-helixtrans-53.4-43.8-171.9-6372.6000113.3T66 F70 M71 S72 A119 D120 P342T66-N68 WeakPolarHBondContact CB-OD1 3.25Å; T66-N68 PolarHBondContact O-N 2.95Å; T66-N68 PolarHBondContact OG1-OD1 2.82Å; N68-F70 VanDerWaalsContact C-N 3.32Å; N68-F70 PolarHBondContact O-N 3.24Å; N68-M71 CarbonylContact O-C 3.55Å; N68-M71 PolarHBondContact O-N 3.14Å; N68-S72 PolarHBondContact O-N 3.01Å; N68-A119 WeakPolarHBondContact OD1-CA 3.46Å; N68-A119 WeakPolarHBondContact OD1-CB 3.45Å; N68-D120 PolarHBondContact ND2-O 2.94Å; N68-D120 PolarHBondContact OD1-N 2.77Å; N68-P342 PolarHBondContact ND2-O 3.19Å
69A98.6Very high98.2Very high29 Ų2938.7 Ų38.724%0.2421%0.207CC..Hα-helixtrans-68.1-31.3179.200000112.8V61 Q64 L67 S72V61-A69 HydrophobicContact CB-CB 4.14Å; V61-A69 HydrophobicContact CG1-CB 4.1Å; Q64-A69 HydrophobicContact CG-CB 3.83Å; L67-A69 VanDerWaalsContact C-N 3.31Å; L67-A69 PolarHBondContact O-N 3.35Å; A69-S72 PolarHBondContact O-OG 2.9Å
70F98.8Very high98.3Very high0 Ų036.6 Ų36.60%020%0.198CC..Hα-helixtrans-75.6-41.1173178.6-126.6000111.1Y19 M55 V61 F62 L67 N68 S72 L73 W78 A81 F226Y19-F70 HydrophobicContact CD1-CE1 4.03Å; Y19-F70 HydrophobicContact CD2-CE1 4.3Å; Y19-F70 AromaticContact CE1-CE1 3.74Å; Y19-F70 HydrophobicContact CE1-CE1 3.74Å; Y19-F70 HydrophobicContact CE1-CZ 4.2Å; Y19-F70 HydrophobicContact CE2-CE1 4.02Å; Y19-F70 HydrophobicContact CG-CE1 4.3Å; Y19-F70 AromaticContact CZ-CE1 3.74Å; M55-F70 HydrophobicContact CE-CD2 4.48Å; M55-F70 HydrophobicContact CE-CE2 4.32Å; M55-F70 HydrophobicContact SD-CE2 4.26Å; V61-F70 HydrophobicContact CB-CB 4.34Å; V61-F70 HydrophobicContact CG2-CB 4.07Å; V61-F70 HydrophobicContact CG2-CD2 4.05Å; V61-F70 HydrophobicContact CG2-CG 4.48Å; F62-F70 HydrophobicContact CE1-CD1 4.46Å; F62-F70 AromaticContact CE1-CD2 3.86Å; F62-F70 HydrophobicContact CE1-CD2 3.86Å; F62-F70 HydrophobicContact CE1-CE2 4.01Å; F62-F70 HydrophobicContact CE1-CG 4.12Å; F62-F70 HydrophobicContact CE1-CZ 4.35Å; F62-F70 HydrophobicContact CZ-CD2 4.31Å; F62-F70 HydrophobicContact CZ-CE2 4.12Å; L67-F70 HydrophobicContact CD2-CD1 4.42Å; L67-F70 CarbonylContact O-C 3.53Å; L67-F70 WeakPolarHBondContact O-CA 3.45Å; L67-F70 PolarHBondContact O-N 2.87Å; N68-F70 VanDerWaalsContact C-N 3.32Å; N68-F70 PolarHBondContact O-N 3.24Å; F70-S72 PolarHBondContact O-N 3.39Å; F70-L73 HydrophobicContact CD2-CD1 4.24Å; F70-L73 PolarHBondContact O-N 2.84Å; F70-W78 AromaticContact CE2-CD1 3.93Å; F70-W78 HydrophobicContact CZ-CB 4.45Å; F70-W78 AromaticContact CZ-CD1 3.9Å; F70-W78 PolarHBondContact O-NE1 2.7Å; F70-A81 HydrophobicContact CE2-CB 3.88Å; F70-A81 HydrophobicContact CZ-CB 3.73Å; F70-F226 AromaticContact CD1-CE2 3.68Å; F70-F226 HydrophobicContact CD1-CE2 3.68Å; F70-F226 AromaticContact CD1-CZ 3.68Å; F70-F226 HydrophobicContact CD1-CZ 3.68Å; F70-F226 AromaticContact CE1-CE2 3.53Å; F70-F226 HydrophobicContact CE1-CE2 3.53Å; F70-F226 AromaticContact CE1-CZ 3.61Å; F70-F226 HydrophobicContact CE1-CZ 3.61Å; F70-F226 HydrophobicContact CZ-CE2 4.37Å
71M98.8Very high98.4Very high0 Ų032.3 Ų32.30%018%0.175CC..Hα-helixtrans-60.4-28.4172.4-69.4170.717500111.8L67 N68 L73 W78 A119 F205 G207 G208 F226 P342L67-M71 HydrophobicContact CB-CE 3.74Å; L67-M71 HydrophobicContact CB-CG 4.26Å; L67-M71 HydrophobicContact CB-SD 4.12Å; L67-M71 HydrophobicContact CD1-CE 4Å; L67-M71 WeakPolarHBondContact O-CG 2.89Å; L67-M71 PolarHBondContact O-N 2.95Å; N68-M71 CarbonylContact O-C 3.55Å; N68-M71 PolarHBondContact O-N 3.14Å; M71-L73 VanDerWaalsContact C-N 3.35Å; M71-L73 PolarHBondContact O-N 3.38Å; M71-W78 WeakPolarHBondContact O-CZ2 3.4Å; M71-A119 HydrophobicContact CE-CB 4.19Å; M71-A119 HydrophobicContact SD-CB 4.1Å; M71-F205 HydrophobicContact CE-CB 3.63Å; M71-F205 HydrophobicContact CE-CD1 3.92Å; M71-F205 HydrophobicContact CE-CD2 3.99Å; M71-F205 HydrophobicContact CE-CG 3.56Å; M71-F205 HydrophobicContact SD-CB 4.12Å; M71-F205 HydrophobicContact SD-CD1 4.25Å; M71-F205 HydrophobicContact SD-CG 4.31Å; M71-G207 CarbonylContact O-C 3.56Å; M71-G207 WeakPolarHBondContact O-CA 3.45Å; M71-G208 PolarHBondContact O-N 2.9Å; M71-F226 HydrophobicContact CE-CD1 3.57Å; M71-F226 HydrophobicContact CE-CE1 3.75Å; M71-F226 HydrophobicContact CE-CG 4.33Å; M71-F226 HydrophobicContact CG-CB 4.31Å; M71-F226 HydrophobicContact CG-CD1 3.91Å; M71-F226 HydrophobicContact CG-CD2 3.9Å; M71-F226 HydrophobicContact CG-CE1 4.15Å; M71-F226 HydrophobicContact CG-CE2 4.15Å; M71-F226 HydrophobicContact CG-CG 3.77Å; M71-F226 HydrophobicContact CG-CZ 4.27Å; M71-F226 HydrophobicContact SD-CD1 4.48Å; M71-P342 HydrophobicContact CB-CB 4.16Å
72S98.4Very high98.4Very high46 Ų4632.8 Ų32.832%0.32218%0.176SC..Hα-helixtrans-74.6-21.7178.567.20000114N68 A69 F70 G74N68-S72 PolarHBondContact O-N 3.01Å; A69-S72 PolarHBondContact O-OG 2.9Å; F70-S72 PolarHBondContact O-N 3.39Å; S72-G74 PolarHBondContact O-N 3.19Å
73L98.2Very high98.4Very high45 Ų4539 Ų3924%0.23620%0.2CC..THydrogen-bonded Turntrans-69.2-17.3-176-61.8-175.4000114.3M55 H58 V61 F70 M71 A77M55-L73 HydrophobicContact CE-CD1 4.19Å; M55-L73 HydrophobicContact SD-CD1 3.88Å; H58-L73 HydrophobicContact CB-CD1 3.79Å; H58-L73 HydrophobicContact CB-CD2 4.15Å; V61-L73 HydrophobicContact CG1-CD1 4Å; V61-L73 HydrophobicContact CG1-CD2 4.33Å; V61-L73 HydrophobicContact CG1-CG 4.29Å; V61-L73 HydrophobicContact CG2-CD1 4.1Å; F70-L73 HydrophobicContact CD2-CD1 4.24Å; F70-L73 PolarHBondContact O-N 2.84Å; M71-L73 VanDerWaalsContact C-N 3.35Å; M71-L73 PolarHBondContact O-N 3.38Å; L73-A77 HydrophobicContact CB-CB 3.36Å; L73-A77 HydrophobicContact CD1-CB 3.92Å; L73-A77 HydrophobicContact CG-CB 4.3Å
74G97Very high98.4Very high11 Ų1136.6 Ų36.611%0.11319%0.188CC..  trans81.3175177.200000115.2S72 E76 A77 W78S72-G74 PolarHBondContact O-N 3.19Å; G74-E76 VanDerWaalsContact C-N 3.35Å; G74-E76 PolarHBondContact O-N 3.3Å; G74-A77 WeakPolarHBondContact O-CB 3.27Å; G74-A77 PolarHBondContact O-N 3.14Å; G74-A77 VanDerWaalsContact O-N 3.13Å; G74-W78 VanDerWaalsContact CA-CZ2 3.41Å; G74-W78 VanDerWaalsContact O-CD1 3.29Å; G74-W78 VanDerWaalsContact O-CE2 3.31Å; G74-W78 PolarHBondContact O-N 2.78Å; G74-W78 PolarHBondContact O-NE1 2.9Å
75Y96.4Very high98.4Very high91 Ų9133.1 Ų33.136%0.35717%0.171SC..Hα-helixtrans-51.5-43.7-168.6-179.6-100.8000115A77 W78 S79Y75-A77 VanDerWaalsContact C-N 3.34Å; Y75-A77 PolarHBondContact O-N 2.82Å; Y75-W78 HydrophobicContact CD2-CE3 4.43Å; Y75-W78 PolarHBondContact O-N 3.48Å; Y75-S79 WeakPolarHBondContact O-CB 3.38Å; Y75-S79 PolarHBondContact O-N 2.99Å
76E97.8Very high98.4Very high145 Ų14532.9 Ų32.968%0.67817%0.165SC*.Hα-helixtrans-63-40-178.1-64-171.6163.500112.5V54 G74 E80V54-E76 HydrophobicContact CG2-CB 4.42Å; G74-E76 VanDerWaalsContact C-N 3.35Å; G74-E76 PolarHBondContact O-N 3.3Å; E76-E80 WeakPolarHBondContact O-CB 3.46Å; E76-E80 PolarHBondContact O-N 3.21Å
77A98.6Very high98.4Very high0 Ų036.4 Ų36.40%018%0.183CC..Hα-helixtrans-67-42.3177.500000111.5V54 M55 L73 G74 Y75 S79 E80 A81V54-A77 HydrophobicContact CG1-CB 3.67Å; M55-A77 HydrophobicContact SD-CB 3.88Å; L73-A77 HydrophobicContact CB-CB 3.36Å; L73-A77 HydrophobicContact CD1-CB 3.92Å; L73-A77 HydrophobicContact CG-CB 4.3Å; G74-A77 WeakPolarHBondContact O-CB 3.27Å; G74-A77 PolarHBondContact O-N 3.14Å; G74-A77 VanDerWaalsContact O-N 3.13Å; Y75-A77 VanDerWaalsContact C-N 3.34Å; Y75-A77 PolarHBondContact O-N 2.82Å; A77-S79 VanDerWaalsContact C-N 3.34Å; A77-S79 PolarHBondContact O-N 2.85Å; A77-E80 PolarHBondContact O-N 2.88Å; A77-A81 VanDerWaalsContact O-CB 3.29Å; A77-A81 WeakPolarHBondContact O-CB 3.27Å; A77-A81 PolarHBondContact O-N 3.2Å
78W98.6Very high98.4Very high15 Ų1536.9 Ų36.96%0.05719%0.186CC..Hα-helixtrans-64.2-42.1179-46.6-26.6000111.4F70 M71 G74 Y75 A81 R82 E223 F226F70-W78 AromaticContact CE2-CD1 3.93Å; F70-W78 HydrophobicContact CZ-CB 4.45Å; F70-W78 AromaticContact CZ-CD1 3.9Å; F70-W78 PolarHBondContact O-NE1 2.7Å; M71-W78 WeakPolarHBondContact O-CZ2 3.4Å; G74-W78 VanDerWaalsContact CA-CZ2 3.41Å; G74-W78 VanDerWaalsContact O-CD1 3.29Å; G74-W78 VanDerWaalsContact O-CE2 3.31Å; G74-W78 PolarHBondContact O-N 2.78Å; G74-W78 PolarHBondContact O-NE1 2.9Å; Y75-W78 HydrophobicContact CD2-CE3 4.43Å; Y75-W78 PolarHBondContact O-N 3.48Å; W78-A81 PolarHBondContact O-N 3.14Å; W78-R82 WeakPolarHBondContact O-CB 3.33Å; W78-R82 PolarHBondContact O-N 2.8Å; W78-E223 WeakPolarHBondContact CH2-O 3.43Å; W78-F226 AromaticContact CD1-CD2 3.93Å; W78-F226 AromaticContact CD1-CE2 3.77Å; W78-F226 AromaticContact CD2-CD2 3.57Å; W78-F226 HydrophobicContact CD2-CD2 3.57Å; W78-F226 HydrophobicContact CD2-CE2 4.11Å; W78-F226 AromaticContact CE2-CD2 3.54Å; W78-F226 HydrophobicContact CE3-CD2 4.02Å; W78-F226 AromaticContact CG-CD2 3.9Å; W78-F226 HydrophobicContact CG-CD2 3.9Å; W78-F226 AromaticContact CG-CE2 3.92Å; W78-F226 HydrophobicContact CG-CE2 3.92Å; W78-F226 HydrophobicContact CH2-CB 4.21Å; W78-F226 HydrophobicContact CH2-CD2 4.44Å; W78-F226 HydrophobicContact CZ2-CB 4.42Å; W78-F226 HydrophobicContact CZ2-CD2 4.02Å; W78-F226 HydrophobicContact CZ3-CB 4.31Å; W78-F226 HydrophobicContact CZ3-CD2 4.43Å; W78-F226 AromaticContact NE1-CD2 3.72Å; W78-F226 AromaticContact NE1-CE2 3.91Å
79S98.4Very high98.4Very high31 Ų3135.5 Ų35.522%0.21718%0.178CC..Hα-helixtrans-63.9-45.5176.8-158.20000111.9Y75 A77 R82 R83 E267Y75-S79 WeakPolarHBondContact O-CB 3.38Å; Y75-S79 PolarHBondContact O-N 2.99Å; A77-S79 VanDerWaalsContact C-N 3.34Å; A77-S79 PolarHBondContact O-N 2.85Å; S79-R82 PolarHBondContact O-N 2.94Å; S79-R83 WeakPolarHBondContact O-CB 3.44Å; S79-R83 PolarHBondContact O-N 2.86Å; S79-E267 WeakPolarHBondContact CA-OE1 3.48Å; S79-E267 WeakPolarHBondContact CB-OE1 3.43Å; S79-E267 PolarHBondContact OG-OE1 2.85Å
80E98.8Very high98.4Very high7 Ų735.2 Ų35.23%0.03317%0.174CC..Hα-helixtrans-62.7-44.3176.4-174179.4115.500112G52 P53 V54 M55 E76 A77 R83 T84G52-E80 WeakPolarHBondContact CA-OE1 3.43Å; P53-E80 WeakPolarHBondContact CD-OE2 3.05Å; P53-E80 WeakPolarHBondContact CG-OE2 3.18Å; V54-E80 PolarHBondContact N-OE1 3.16Å; V54-E80 PolarHBondContact N-OE2 2.9Å; V54-E80 VanDerWaalsContact N-OE2 3.1Å; M55-E80 VanDerWaalsContact CB-OE1 3.23Å; M55-E80 WeakPolarHBondContact CB-OE1 3.38Å; M55-E80 HydrophobicContact CG-CB 4.37Å; M55-E80 HydrophobicContact CG-CG 4.26Å; M55-E80 WeakPolarHBondContact CG-OE1 3.39Å; M55-E80 PolarHBondContact N-OE1 3.07Å; E76-E80 WeakPolarHBondContact O-CB 3.46Å; E76-E80 PolarHBondContact O-N 3.21Å; A77-E80 PolarHBondContact O-N 2.88Å; E80-R83 PolarHBondContact O-N 2.86Å; E80-T84 WeakPolarHBondContact O-CB 3.28Å; E80-T84 PolarHBondContact O-N 3.08Å; E80-T84 PolarHBondContact O-OG1 3.34Å
81A98.8Very high98.3Very high0 Ų039.2 Ų39.20%019%0.193CC..Hα-helixtrans-61.5-47177.300000111.4F50 M55 F62 F70 A77 W78 T84 L85F50-A81 HydrophobicContact CD1-CB 4.28Å; F50-A81 HydrophobicContact CE1-CB 3.9Å; M55-A81 HydrophobicContact CG-CB 4.42Å; M55-A81 HydrophobicContact SD-CB 4.43Å; F62-A81 HydrophobicContact CZ-CB 4.31Å; F70-A81 HydrophobicContact CE2-CB 3.88Å; F70-A81 HydrophobicContact CZ-CB 3.73Å; A77-A81 VanDerWaalsContact O-CB 3.29Å; A77-A81 WeakPolarHBondContact O-CB 3.27Å; A77-A81 PolarHBondContact O-N 3.2Å; W78-A81 PolarHBondContact O-N 3.14Å; A81-T84 WeakPolarHBondContact O-CB 3.17Å; A81-T84 PolarHBondContact O-N 3.33Å; A81-L85 WeakPolarHBondContact O-CG 3.29Å; A81-L85 PolarHBondContact O-N 2.9Å
82R98.8Very high98.2Very high13 Ų1345 Ų455%0.04922%0.224CC..Hα-helixtrans-62-45.6178.3-178.6173.3172.777.4-1.2112.5Q15 N16 W78 S79 T84 L85 Q86 E267Q15-R82 PolarHBondContact O-NH2 3.11Å; N16-R82 PolarHBondContact O-NH1 2.81Å; W78-R82 WeakPolarHBondContact O-CB 3.33Å; W78-R82 PolarHBondContact O-N 2.8Å; S79-R82 PolarHBondContact O-N 2.94Å; R82-T84 VanDerWaalsContact C-N 3.29Å; R82-T84 PolarHBondContact O-N 3.46Å; R82-L85 PolarHBondContact O-N 3.02Å; R82-Q86 WeakPolarHBondContact O-CG 3.37Å; R82-Q86 PolarHBondContact O-N 2.82Å; R82-E267 WeakPolarHBondContact CD-OE2 3.49Å; R82-E267 IonicContact NE-OE2 2.67Å
83R98.6Very high98.2Very high132 Ų13245.5 Ų45.550%0.49822%0.221SC..Hα-helixtrans-60.4-40.8175.7-179.3175.761.2-138.3-4.2111.5S79 E80 Q86 N87S79-R83 WeakPolarHBondContact O-CB 3.44Å; S79-R83 PolarHBondContact O-N 2.86Å; E80-R83 PolarHBondContact O-N 2.86Å; R83-Q86 PolarHBondContact O-N 2.66Å; R83-N87 PolarHBondContact O-N 2.73Å
84T98.8Very high98.2Very high21 Ų2146.2 Ų46.213%0.12923%0.23CC..Hα-helixtrans-62.4-46.4175.9-57.60000110.9F50 E80 A81 R82 Q86 N87 L88F50-T84 HydrophobicContact CD1-CG2 3.72Å; F50-T84 HydrophobicContact CE1-CG2 3.96Å; F50-T84 HydrophobicContact CG-CG2 4.13Å; E80-T84 WeakPolarHBondContact O-CB 3.28Å; E80-T84 PolarHBondContact O-N 3.08Å; E80-T84 PolarHBondContact O-OG1 3.34Å; A81-T84 WeakPolarHBondContact O-CB 3.17Å; A81-T84 PolarHBondContact O-N 3.33Å; R82-T84 VanDerWaalsContact C-N 3.29Å; R82-T84 PolarHBondContact O-N 3.46Å; T84-Q86 PolarHBondContact O-N 2.99Å; T84-N87 PolarHBondContact O-N 2.6Å; T84-L88 HydrophobicContact CG2-CD1 3.9Å; T84-L88 HydrophobicContact CG2-CG 4.27Å; T84-L88 WeakPolarHBondContact O-CB 3.49Å; T84-L88 WeakPolarHBondContact O-CG 3.41Å; T84-L88 PolarHBondContact O-N 2.92Å
85L98.8Very high98.2Very high0 Ų048.8 Ų48.80%024%0.243CC..Hα-helixtrans-62.2-43.6177.4-73.5160.9000112.3L17 Y19 V34 L41 L43 I46 F50 A81 R82 N87 L88 L89L17-L85 HydrophobicContact CD1-CB 4.2Å; Y19-L85 HydrophobicContact CE1-CD1 3.89Å; V34-L85 HydrophobicContact CG2-CD1 3.92Å; V34-L85 HydrophobicContact CG2-CD2 4.46Å; L41-L85 HydrophobicContact CD2-CD2 3.66Å; L43-L85 HydrophobicContact CD2-CD2 3.7Å; I46-L85 HydrophobicContact CD1-CD2 4.24Å; F50-L85 HydrophobicContact CE1-CG 4.17Å; F50-L85 HydrophobicContact CZ-CD1 4.46Å; F50-L85 HydrophobicContact CZ-CD2 4.02Å; F50-L85 HydrophobicContact CZ-CG 3.96Å; A81-L85 WeakPolarHBondContact O-CG 3.29Å; A81-L85 PolarHBondContact O-N 2.9Å; R82-L85 PolarHBondContact O-N 3.02Å; L85-N87 PolarHBondContact O-N 2.89Å; L85-L88 PolarHBondContact O-N 3.19Å; L85-L89 VanDerWaalsContact O-CB 3.22Å; L85-L89 WeakPolarHBondContact O-CB 3.43Å; L85-L89 WeakPolarHBondContact O-CG 3.34Å; L85-L89 PolarHBondContact O-N 2.9Å
86Q98.7Very high98.3Very high56 Ų5644.4 Ų44.426%0.26223%0.226SC..Hα-helixtrans-57.3-50.1174.2-76.8179.4-25.300110.8Y14 L17 R82 R83 T84 L89 S90Y14-Q86 HydrophobicContact CE2-CB 4.46Å; Y14-Q86 VanDerWaalsContact CE2-O 3.28Å; Y14-Q86 WeakPolarHBondContact CE2-O 2.99Å; Y14-Q86 VanDerWaalsContact OH-C 3.24Å; Y14-Q86 WeakPolarHBondContact OH-CA 3.35Å; Y14-Q86 WeakPolarHBondContact OH-CB 3.35Å; Y14-Q86 PolarHBondContact OH-O 3.18Å; L17-Q86 HydrophobicContact CD1-CG 3.7Å; R82-Q86 WeakPolarHBondContact O-CG 3.37Å; R82-Q86 PolarHBondContact O-N 2.82Å; R83-Q86 PolarHBondContact O-N 2.66Å; T84-Q86 PolarHBondContact O-N 2.99Å; Q86-L89 PolarHBondContact O-N 2.82Å; Q86-S90 WeakPolarHBondContact O-CB 3.45Å; Q86-S90 PolarHBondContact O-N 3.13Å
87N98.6Very high98.3Very high92 Ų9241.1 Ų41.149%0.49221%0.207SC..Hα-helixtrans-57.6-56176.4-71.8-14.7000111.1R83 T84 L85 L89 S90 E93R83-N87 PolarHBondContact O-N 2.73Å; T84-N87 PolarHBondContact O-N 2.6Å; L85-N87 PolarHBondContact O-N 2.89Å; N87-L89 VanDerWaalsContact C-N 3.26Å; N87-L89 PolarHBondContact O-N 2.91Å; N87-S90 WeakPolarHBondContact O-CB 3.37Å; N87-S90 PolarHBondContact O-N 3.39Å; N87-E93 WeakPolarHBondContact O-CB 3.13Å; N87-E93 VanDerWaalsContact O-CG 3.26Å; N87-E93 WeakPolarHBondContact O-CG 3.35Å
88L98.7Very high98.3Very high11 Ų1145.4 Ų45.46%0.05823%0.231CC..Hα-helixtrans-58.6-35.3-177.2-71.3176.9000113.3F3 I46 L49 T84 L85 T95 L96F3-L88 VanDerWaalsContact CE1-O 3.32Å; F3-L88 WeakPolarHBondContact CE1-O 3.19Å; I46-L88 HydrophobicContact CD1-CD1 4.07Å; L49-L88 HydrophobicContact CB-CD1 3.9Å; L49-L88 HydrophobicContact CB-CD2 4.44Å; L49-L88 HydrophobicContact CD1-CD1 3.92Å; L49-L88 HydrophobicContact CD1-CD2 3.85Å; T84-L88 HydrophobicContact CG2-CD1 3.9Å; T84-L88 HydrophobicContact CG2-CG 4.27Å; T84-L88 WeakPolarHBondContact O-CB 3.49Å; T84-L88 WeakPolarHBondContact O-CG 3.41Å; T84-L88 PolarHBondContact O-N 2.92Å; L85-L88 PolarHBondContact O-N 3.19Å; L88-T95 HydrophobicContact CD2-CG2 3.97Å; L88-L96 HydrophobicContact CB-CD2 4.41Å; L88-L96 HydrophobicContact CD2-CB 4.46Å
89L98.6Very high98.3Very high0 Ų048.2 Ų48.20%025%0.247CC..Hα-helixtrans-86.1-9-179.6-72.3169.9000113.6S2 F3 I4 Y14 L17 I36 L41 L85 Q86 N87 F107S2-L89 CarbonylContact C-O 3.17Å; S2-L89 WeakPolarHBondContact CA-O 3.37Å; S2-L89 VanDerWaalsContact CB-O 3.31Å; S2-L89 WeakPolarHBondContact CB-O 3.37Å; S2-L89 PolarHBondContact OG-O 3.36Å; F3-L89 WeakPolarHBondContact CD1-O 3.45Å; F3-L89 HydrophobicContact CE1-CD2 4.41Å; F3-L89 HydrophobicContact CZ-CD2 4.36Å; F3-L89 PolarHBondContact N-O 3.2Å; F3-L89 VanDerWaalsContact N-O 3.16Å; I4-L89 HydrophobicContact CG1-CD2 4.49Å; Y14-L89 HydrophobicContact CD2-CB 4.24Å; Y14-L89 HydrophobicContact CE2-CB 4.06Å; L17-L89 HydrophobicContact CD1-CD1 4.4Å; L17-L89 HydrophobicContact CD2-CD1 3.55Å; I36-L89 HydrophobicContact CB-CD1 4.46Å; I36-L89 HydrophobicContact CG1-CD1 4.5Å; I36-L89 HydrophobicContact CG2-CD1 4.47Å; I36-L89 HydrophobicContact CG2-CD2 4.21Å; L41-L89 HydrophobicContact CD2-CD1 4.2Å; L41-L89 HydrophobicContact CD2-CD2 4.07Å; L41-L89 HydrophobicContact CD2-CG 4.19Å; L85-L89 VanDerWaalsContact O-CB 3.22Å; L85-L89 WeakPolarHBondContact O-CB 3.43Å; L85-L89 WeakPolarHBondContact O-CG 3.34Å; L85-L89 PolarHBondContact O-N 2.9Å; Q86-L89 PolarHBondContact O-N 2.82Å; N87-L89 VanDerWaalsContact C-N 3.26Å; N87-L89 PolarHBondContact O-N 2.91Å; L89-F107 HydrophobicContact CD2-CE1 4.12Å; L89-F107 HydrophobicContact CD2-CZ 3.72Å
90S98.3Very high98.2Very high23 Ų2352.1 Ų52.116%0.16127%0.269CS..BIsolated β-bridgetrans-63.9142.2-177.7-179.30000112Q86 N87 N92 E93Q86-S90 WeakPolarHBondContact O-CB 3.45Å; Q86-S90 PolarHBondContact O-N 3.13Å; N87-S90 WeakPolarHBondContact O-CB 3.37Å; N87-S90 PolarHBondContact O-N 3.39Å; S90-N92 PolarHBondContact O-N 3.37Å; S90-N92 VanDerWaalsContact O-N 3.08Å; S90-N92 PolarHBondContact OG-N 2.61Å; S90-E93 PolarHBondContact O-N 3.06Å; S90-E93 VanDerWaalsContact O-N 3.16Å
91H96.9Very high98.2Very high85 Ų8555.9 Ų55.939%0.39430%0.296SS..THydrogen-bonded Turntrans-57.6-22.3173.375.2-65.6000114.2M1 R97M1-H91 PolarHBondContact O-N 3.46Å; M1-H91 PolarHBondContact O-ND1 2.77Å; H91-R97 PolarHBondContact O-NH1 3.23Å
92N96.9Very high98.1Very high120 Ų12057.4 Ų57.464%0.64230%0.304SS*.THydrogen-bonded Turntrans-97.50.4-177.6-72.4-26.1000114S90S90-N92 PolarHBondContact O-N 3.37Å; S90-N92 VanDerWaalsContact O-N 3.08Å; S90-N92 PolarHBondContact OG-N 2.61Å
93E97.9Very high98.1Very high57 Ų5760.9 Ų60.927%0.26632%0.317SS..  trans-103.1125.7179.9179.548.7-119.400110.2N87 S90 T95 R97N87-E93 WeakPolarHBondContact O-CB 3.13Å; N87-E93 VanDerWaalsContact O-CG 3.26Å; N87-E93 WeakPolarHBondContact O-CG 3.35Å; S90-E93 PolarHBondContact O-N 3.06Å; S90-E93 VanDerWaalsContact O-N 3.16Å; E93-T95 WeakPolarHBondContact OE1-CB 3.34Å; E93-T95 PolarHBondContact OE1-N 2.86Å; E93-T95 PolarHBondContact OE1-OG1 2.99Å; E93-R97 WeakPolarHBondContact O-CB 3.23Å
94S97.8Very high98Very high60 Ų6058.9 Ų58.942%0.4232%0.324SS..Hα-helixtrans-89.5-24-175.355.50000113.3L96 R97 D98S94-L96 VanDerWaalsContact C-N 3.33Å; S94-L96 PolarHBondContact O-N 3.42Å; S94-R97 PolarHBondContact O-N 3.43Å; S94-D98 WeakPolarHBondContact CB-OD2 3.47Å; S94-D98 PolarHBondContact O-N 3.1Å
95T98.1Very high97.9Very high65 Ų6565.5 Ų65.540%0.39935%0.346SS..Hα-helixtrans-50.4-48.3-170.3-62.20000113L49 L88 E93 N99L49-T95 HydrophobicContact CD1-CG2 4.18Å; L49-T95 HydrophobicContact CD2-CG2 4.06Å; L88-T95 HydrophobicContact CD2-CG2 3.97Å; E93-T95 WeakPolarHBondContact OE1-CB 3.34Å; E93-T95 PolarHBondContact OE1-N 2.86Å; E93-T95 PolarHBondContact OE1-OG1 2.99Å; T95-N99 VanDerWaalsContact O-CB 3.31Å; T95-N99 WeakPolarHBondContact O-CB 3.33Å
96L98.1Very high97.9Very high0 Ų065.5 Ų65.50%035%0.346CS..Hα-helixtrans-97.1-35.8175.5-176.960.3000112.7F3 L41 I46 L88 S94 D98 L102 A106 F107F3-L96 HydrophobicContact CZ-CD2 4.28Å; F3-L96 HydrophobicContact CZ-CG 4.17Å; L41-L96 HydrophobicContact CD1-CD2 3.99Å; L41-L96 HydrophobicContact CD2-CD2 4.39Å; I46-L96 HydrophobicContact CG2-CD1 4.16Å; L88-L96 HydrophobicContact CB-CD2 4.41Å; L88-L96 HydrophobicContact CD2-CB 4.46Å; S94-L96 VanDerWaalsContact C-N 3.33Å; S94-L96 PolarHBondContact O-N 3.42Å; L96-D98 PolarHBondContact O-N 3.35Å; L96-L102 HydrophobicContact CD1-CD2 3.98Å; L96-L102 HydrophobicContact CD1-CG 4.01Å; L96-A106 HydrophobicContact CD1-CB 4.46Å; L96-F107 HydrophobicContact CD2-CE2 4.04Å; L96-F107 HydrophobicContact CD2-CZ 4.14Å; L96-F107 HydrophobicContact CG-CE2 4.32Å
97R98.3Very high97.9Very high75 Ų7564 Ų6428%0.28334%0.339SS..Hα-helixtrans-59.3-45.6-175.2-176.4-169.874.3-165.9-6112.9F3 H91 E93 S94 R103F3-R97 HydrophobicContact CB-CG 3.78Å; F3-R97 HydrophobicContact CD1-CB 3.74Å; F3-R97 HydrophobicContact CD1-CG 3.94Å; F3-R97 HydrophobicContact CD2-CB 4.47Å; F3-R97 HydrophobicContact CD2-CG 4.16Å; F3-R97 HydrophobicContact CE1-CB 3.99Å; F3-R97 HydrophobicContact CG-CB 4Å; F3-R97 HydrophobicContact CG-CG 3.7Å; F3-R97 HydrophobicContact CZ-CB 4.49Å; H91-R97 PolarHBondContact O-NH1 3.23Å; E93-R97 WeakPolarHBondContact O-CB 3.23Å; S94-R97 PolarHBondContact O-N 3.43Å; R97-R103 PolarHBondContact O-NH1 2.82Å; R97-R103 VanDerWaalsContact O-NH1 3.17Å
98D98.2Very high97.9Very high91 Ų9160.6 Ų60.649%0.48732%0.321SS..THydrogen-bonded Turntrans-99.6-12-170.6-60.5-16.6000112.6S94 L96 V100S94-D98 WeakPolarHBondContact CB-OD2 3.47Å; S94-D98 PolarHBondContact O-N 3.1Å; L96-D98 PolarHBondContact O-N 3.35Å; D98-V100 VanDerWaalsContact C-N 3.32Å; D98-V100 PolarHBondContact O-N 3.38Å
99N98Very high97.9Very high73 Ų7361.2 Ų61.239%0.3933%0.327SS..  trans-79.380.8173.4-171.4-21.2000110.5T95 S101 L102 R103T95-N99 VanDerWaalsContact O-CB 3.31Å; T95-N99 WeakPolarHBondContact O-CB 3.33Å; N99-S101 VanDerWaalsContact C-N 3.26Å; N99-S101 PolarHBondContact O-N 3.4Å; N99-L102 HydrophobicContact CB-CB 4.12Å; N99-L102 VanDerWaalsContact CG-CB 3.44Å; N99-L102 PolarHBondContact O-N 2.78Å; N99-L102 VanDerWaalsContact O-N 3.14Å; N99-L102 WeakPolarHBondContact OD1-CB 3.5Å; N99-L102 PolarHBondContact OD1-N 3.34Å; N99-R103 VanDerWaalsContact O-CB 3.25Å; N99-R103 WeakPolarHBondContact O-CB 3.4Å; N99-R103 PolarHBondContact O-N 3.1Å
100V96.9Very high97.8Very high114 Ų11463.7 Ų63.769%0.69134%0.338SS*.Hα-helixtrans-51.8-44.7-176.6179.50000112D98 R103 S104D98-V100 VanDerWaalsContact C-N 3.32Å; D98-V100 PolarHBondContact O-N 3.38Å; V100-R103 PolarHBondContact O-N 3.45Å; V100-S104 WeakPolarHBondContact O-CB 3.49Å; V100-S104 PolarHBondContact O-N 3.13Å; V100-S104 PolarHBondContact O-OG 3.19Å
101S97.7Very high97.8Very high86 Ų8667.8 Ų67.860%0.60137%0.367SS*.Hα-helixtrans-68.9-34.6-177.1-175.90000113.1N99 S104 R105N99-S101 VanDerWaalsContact C-N 3.26Å; N99-S101 PolarHBondContact O-N 3.4Å; S101-S104 PolarHBondContact O-OG 3.33Å; S101-R105 WeakPolarHBondContact O-CD 3.35Å; S101-R105 WeakPolarHBondContact O-CG 3.44Å
102L98.1Very high97.9Very high31 Ų3170 Ų7016%0.16238%0.377CS..Hα-helixtrans-76.4-45.3175.1179.960.3000110.2V45 I46 L49 L96 N99 S104 R105 A106V45-L102 HydrophobicContact CG1-CD1 3.83Å; I46-L102 HydrophobicContact CG2-CD1 4.33Å; I46-L102 HydrophobicContact CG2-CD2 4.38Å; I46-L102 HydrophobicContact CG2-CG 4.38Å; L49-L102 HydrophobicContact CD1-CD2 4.01Å; L96-L102 HydrophobicContact CD1-CD2 3.98Å; L96-L102 HydrophobicContact CD1-CG 4.01Å; N99-L102 HydrophobicContact CB-CB 4.12Å; N99-L102 VanDerWaalsContact CG-CB 3.44Å; N99-L102 PolarHBondContact O-N 2.78Å; N99-L102 VanDerWaalsContact O-N 3.14Å; N99-L102 WeakPolarHBondContact OD1-CB 3.5Å; N99-L102 PolarHBondContact OD1-N 3.34Å; L102-S104 VanDerWaalsContact C-N 3.33Å; L102-S104 PolarHBondContact O-N 2.62Å; L102-R105 WeakPolarHBondContact O-CG 3.4Å; L102-R105 PolarHBondContact O-N 2.96Å; L102-A106 VanDerWaalsContact O-CB 3.26Å; L102-A106 WeakPolarHBondContact O-CB 3.27Å; L102-A106 PolarHBondContact O-N 3.27Å
103R97.6Very high98Very high86 Ų8665.1 Ų65.133%0.32535%0.354SS..Hα-helixtrans-59-42.1-178-174.7177.2171-178.4-2.3112.4R97 N99 V100 R105 A106 F107R97-R103 PolarHBondContact O-NH1 2.82Å; R97-R103 VanDerWaalsContact O-NH1 3.17Å; N99-R103 VanDerWaalsContact O-CB 3.25Å; N99-R103 WeakPolarHBondContact O-CB 3.4Å; N99-R103 PolarHBondContact O-N 3.1Å; V100-R103 PolarHBondContact O-N 3.45Å; R103-R105 PolarHBondContact O-N 3.17Å; R103-A106 PolarHBondContact O-N 3.5Å; R103-F107 HydrophobicContact CG-CD2 3.75Å; R103-F107 HydrophobicContact CG-CE2 3.92Å; R103-F107 PolarHBondContact O-N 3.32Å
104S96.7Very high98Very high91 Ų9166.3 Ų66.364%0.63637%0.365SS*.Hα-helixtrans-64.2-20.8-177.266.50000114.5V100 S101 L102V100-S104 WeakPolarHBondContact O-CB 3.49Å; V100-S104 PolarHBondContact O-N 3.13Å; V100-S104 PolarHBondContact O-OG 3.19Å; S101-S104 PolarHBondContact O-OG 3.33Å; L102-S104 VanDerWaalsContact C-N 3.33Å; L102-S104 PolarHBondContact O-N 2.62Å
105R97.3Very high98.1Very high159 Ų15965.2 Ų65.260%0.635%0.354SS*.Hα-helixtrans-110-13.5179.546.7177.2-82.2150.9-0.1113V45 S101 L102 R103V45-R105 HydrophobicContact CG1-CG 4.25Å; S101-R105 WeakPolarHBondContact O-CD 3.35Å; S101-R105 WeakPolarHBondContact O-CG 3.44Å; L102-R105 WeakPolarHBondContact O-CG 3.4Å; L102-R105 PolarHBondContact O-N 2.96Å; R103-R105 PolarHBondContact O-N 3.17Å
106A98.3Very high98.1Very high0 Ų063.9 Ų63.90%034%0.343CS..Hα-helixtrans-87.5-20.9178.500000112.9L41 D42 V45 I46 L96 L102 R103L41-A106 CarbonylContact C-O 3.56Å; L41-A106 WeakPolarHBondContact CA-O 3.19Å; L41-A106 HydrophobicContact CD1-CB 3.95Å; D42-A106 PolarHBondContact N-O 3.25Å; V45-A106 HydrophobicContact CB-CB 4.36Å; V45-A106 HydrophobicContact CG1-CB 3.82Å; I46-A106 HydrophobicContact CG2-CB 3.78Å; L96-A106 HydrophobicContact CD1-CB 4.46Å; L102-A106 VanDerWaalsContact O-CB 3.26Å; L102-A106 WeakPolarHBondContact O-CB 3.27Å; L102-A106 PolarHBondContact O-N 3.27Å; R103-A106 PolarHBondContact O-N 3.5Å
107F98.6Very high98.1Very high25 Ų2566.6 Ų66.611%0.1136%0.357CS..EExtended strand (participates in β ladder)trans-109137.1179.6-72.9-80000112.2F3 I4 I36 Q39 I40 L41 L89 L96 R103F3-F107 HydrophobicContact CE2-CE2 4.17Å; F3-F107 HydrophobicContact CE2-CZ 4.24Å; F3-F107 AromaticContact CZ-CE2 3.99Å; F3-F107 HydrophobicContact CZ-CE2 3.99Å; F3-F107 AromaticContact CZ-CZ 3.95Å; F3-F107 HydrophobicContact CZ-CZ 3.95Å; I4-F107 HydrophobicContact CD1-CD1 4.39Å; I4-F107 HydrophobicContact CD1-CE1 3.99Å; I4-F107 HydrophobicContact CD1-CE2 4.31Å; I4-F107 HydrophobicContact CD1-CZ 3.93Å; I4-F107 HydrophobicContact CG1-CE1 3.98Å; I4-F107 HydrophobicContact CG1-CZ 4.01Å; I36-F107 HydrophobicContact CG2-CE1 3.85Å; Q39-F107 HydrophobicContact CB-CD1 3.86Å; Q39-F107 HydrophobicContact CG-CD1 4.45Å; I40-F107 WeakPolarHBondContact O-CA 3.34Å; L41-F107 HydrophobicContact CB-CD1 4.29Å; L41-F107 HydrophobicContact CB-CE1 3.88Å; L41-F107 HydrophobicContact CB-CZ 4.47Å; L41-F107 HydrophobicContact CD1-CD1 4.46Å; L41-F107 HydrophobicContact CD1-CE1 4.04Å; L41-F107 HydrophobicContact CD1-CE2 4.12Å; L41-F107 HydrophobicContact CD1-CZ 3.87Å; L41-F107 HydrophobicContact CG-CE1 4.45Å; L89-F107 HydrophobicContact CD2-CE1 4.12Å; L89-F107 HydrophobicContact CD2-CZ 3.72Å; L96-F107 HydrophobicContact CD2-CE2 4.04Å; L96-F107 HydrophobicContact CD2-CZ 4.14Å; L96-F107 HydrophobicContact CG-CE2 4.32Å; R103-F107 HydrophobicContact CG-CD2 3.75Å; R103-F107 HydrophobicContact CG-CE2 3.92Å; R103-F107 PolarHBondContact O-N 3.32Å
108V98.4Very high98.2Very high20 Ų2063 Ų6312%0.12134%0.344CS..EExtended strand (participates in β ladder)trans-127.6140.6175.9177.10000108.5F22 T24 Q39 I40F22-V108 HydrophobicContact CE2-CB 4.18Å; F22-V108 HydrophobicContact CE2-CG1 4.27Å; F22-V108 HydrophobicContact CE2-CG2 4.02Å; F22-V108 HydrophobicContact CZ-CG2 4.43Å; T24-V108 HydrophobicContact CG2-CG1 3.5Å; Q39-V108 CarbonylContact C-O 3.6Å; Q39-V108 WeakPolarHBondContact CA-O 3.32Å; I40-V108 PolarHBondContact N-O 3.05Å; I40-V108 PolarHBondContact O-N 2.83Å
109S98.4Very high98.2Very high25 Ų2558.8 Ų58.818%0.17532%0.321CS..EExtended strand (participates in β ladder)trans-67.3135.3172.8-178.30000110.3S111 E112 A113S109-S111 PolarHBondContact O-N 3.33Å; S109-S111 VanDerWaalsContact O-N 3.14Å; S109-S111 PolarHBondContact OG-N 2.82Å; S109-S111 PolarHBondContact OG-OG 3.42Å; S109-E112 PolarHBondContact O-N 3.26Å; S109-A113 PolarHBondContact O-N 3.35Å
110Q98.6Very high98.2Very high52 Ų5260.4 Ų60.424%0.24333%0.33CS..G310 helixtrans-57.9-28.4173-72.7171.925.700112.3F12 G37 D38 Q39 I40 E112 A113F12-Q110 VanDerWaalsContact CE2-OE1 3.3Å; G37-Q110 PolarHBondContact O-NE2 3.35Å; D38-Q110 WeakPolarHBondContact O-CB 3.45Å; D38-Q110 WeakPolarHBondContact O-CG 3.35Å; D38-Q110 PolarHBondContact O-N 3.36Å; Q39-Q110 PolarHBondContact O-NE2 2.53Å; I40-Q110 HydrophobicContact CD1-CG 4.14Å; I40-Q110 HydrophobicContact CG1-CG 3.58Å; Q110-E112 VanDerWaalsContact C-N 3.25Å; Q110-E112 PolarHBondContact O-N 3.41Å; Q110-A113 PolarHBondContact O-N 2.92Å
111S98.1Very high98.3Very high109 Ų10956.3 Ų56.376%0.76231%0.305SS*.G310 helixtrans-71.2-18.1178680000114.2S109S109-S111 PolarHBondContact O-N 3.33Å; S109-S111 VanDerWaalsContact O-N 3.14Å; S109-S111 PolarHBondContact OG-N 2.82Å; S109-S111 PolarHBondContact OG-OG 3.42Å
112E98.1Very high98.3Very high130 Ų13053.7 Ų53.761%0.60729%0.292SS*.G310 helixtrans-99.5-7.1178.6-63174.7151.600112.1S109 Q110S109-E112 PolarHBondContact O-N 3.26Å; Q110-E112 VanDerWaalsContact C-N 3.25Å; Q110-E112 PolarHBondContact O-N 3.41Å
113A98.6Very high98.4Very high19 Ų1955.8 Ų55.816%0.15730%0.304CS..EExtended strand (participates in β ladder)trans-92.4142-176.100000112F22 S23 I40 S109 Q110F22-A113 HydrophobicContact CB-CB 4.37Å; F22-A113 HydrophobicContact CD2-CB 4.12Å; S23-A113 WeakPolarHBondContact O-CA 3.24Å; I40-A113 HydrophobicContact CD1-CB 3.47Å; I40-A113 VanDerWaalsContact CD1-CB 3.47Å; S109-A113 PolarHBondContact O-N 3.35Å; Q110-A113 PolarHBondContact O-N 2.92Å
114T98.8Very high98.4Very high81 Ų8152 Ų5250%0.49729%0.289SS..EExtended strand (participates in β ladder)trans-101.8121.6163-59.20000108.1F22 S23 H116F22-T114 CarbonylContact C-O 3.59Å; F22-T114 VanDerWaalsContact CA-O 3.28Å; F22-T114 WeakPolarHBondContact CA-O 3.48Å; S23-T114 PolarHBondContact N-O 3.47Å; S23-T114 PolarHBondContact O-N 3.43Å; T114-H116 PolarHBondContact O-CD2 2.84Å; T114-H116 PolarHBondContact O-NE2 2.74Å
115M98.9Very high98.5Very high38 Ų3848 Ų4819%0.18726%0.261CS..EExtended strand (participates in β ladder)trans-84.4145.9177.5-60.3-53.7-62.300111.1V21 F22 I40 P261 W262V21-M115 WeakPolarHBondContact O-CE 3.32Å; F22-M115 HydrophobicContact CB-CE 4.34Å; F22-M115 HydrophobicContact CB-SD 3.8Å; I40-M115 HydrophobicContact CD1-SD 4.14Å; M115-P261 HydrophobicContact CB-CB 3.64Å; M115-P261 HydrophobicContact CB-CG 3.97Å; M115-P261 HydrophobicContact CE-CB 3.89Å; M115-P261 HydrophobicContact CE-CG 4.38Å; M115-P261 HydrophobicContact CG-CB 4.07Å; M115-P261 HydrophobicContact CG-CG 3.99Å; M115-W262 HydrophobicContact CE-CD2 4.01Å; M115-W262 HydrophobicContact CE-CE3 4.18Å; M115-W262 HydrophobicContact CE-CH2 3.6Å; M115-W262 HydrophobicContact CE-CZ2 3.4Å; M115-W262 VanDerWaalsContact CE-CZ2 3.4Å; M115-W262 HydrophobicContact CE-CZ3 3.99Å; M115-W262 HydrophobicContact SD-CH2 4.16Å; M115-W262 HydrophobicContact SD-CZ2 3.66Å
116H98.9Very high98.6Very high37 Ų3740.5 Ų40.517%0.17123%0.233CC..  trans-120.4175.2178.1-58.9-74.5000110.8V21 S23 H30 T114V21-H116 HydrophobicContact CB-CB 4.27Å; V21-H116 HydrophobicContact CG1-CB 3.94Å; V21-H116 PolarHBondContact O-N 3.46Å; S23-H116 WeakPolarHBondContact CB-NE2 3.36Å; S23-H116 PolarHBondContact OG-NE2 2.88Å; H30-H116 AromaticContact CD2-CD2 3.76Å; H30-H116 AromaticContact CD2-CE1 3.88Å; H30-H116 AromaticContact CD2-NE2 3.57Å; H30-H116 AromaticContact CE1-CE1 3.87Å; H30-H116 AromaticContact CE1-CG 3.69Å; H30-H116 AromaticContact CE1-ND1 3.59Å; H30-H116 AromaticContact ND1-CG 3.99Å; H30-H116 AromaticContact NE2-CD2 3.84Å; H30-H116 AromaticContact NE2-CE1 3.33Å; H30-H116 PolarHBondContact NE2-CE1 2.96Å; H30-H116 VanDerWaalsContact NE2-CE1 3.33Å; H30-H116 AromaticContact NE2-CG 3.82Å; H30-H116 AromaticContact NE2-ND1 3.53Å; H30-H116 AromaticContact NE2-NE2 3.53Å; T114-H116 PolarHBondContact O-CD2 2.84Å; T114-H116 PolarHBondContact O-NE2 2.74Å
117L98.8Very high98.7Very high56 Ų5640.7 Ų40.729%0.29323%0.234SC..  trans-57.8133167.6-75.6172.3000109.3A119 V168 I259L117-A119 VanDerWaalsContact C-N 3.3Å; L117-A119 PolarHBondContact O-N 2.89Å; L117-V168 HydrophobicContact CD2-CB 4.24Å; L117-V168 HydrophobicContact CG-CB 4.35Å; L117-I259 HydrophobicContact CD2-CD1 3.77Å; L117-I259 HydrophobicContact CD2-CG1 3.83Å
118P98.8Very high98.7Very high0 Ų042.4 Ų42.40%024%0.24CC..SBendtrans-72.7-23.6-17327-34.3000113.4V21 L67 F205 I259 V263V21-P118 WeakPolarHBondContact CG2-O 3.39Å; L67-P118 VanDerWaalsContact CB-O 3.26Å; L67-P118 WeakPolarHBondContact CB-O 3.47Å; L67-P118 HydrophobicContact CD1-CB 3.92Å; L67-P118 VanDerWaalsContact CG-O 3.28Å; L67-P118 WeakPolarHBondContact CG-O 3.16Å; L67-P118 PolarHBondContact N-O 3.14Å; P118-F205 HydrophobicContact CG-CE2 3.73Å; P118-F205 HydrophobicContact CG-CZ 3.69Å; P118-I259 HydrophobicContact CG-CD1 4.24Å; P118-V263 HydrophobicContact CB-CG2 3.54Å; P118-V263 HydrophobicContact CG-CG2 3.71Å
119A98.8Very high98.7Very high2 Ų241.5 Ų41.52%0.01723%0.234CC..SBendtrans-146.4155.3-179.900000110.9N68 M71 L117 V121 F205N68-A119 WeakPolarHBondContact OD1-CA 3.46Å; N68-A119 WeakPolarHBondContact OD1-CB 3.45Å; M71-A119 HydrophobicContact CE-CB 4.19Å; M71-A119 HydrophobicContact SD-CB 4.1Å; L117-A119 VanDerWaalsContact C-N 3.3Å; L117-A119 PolarHBondContact O-N 2.89Å; A119-V121 PolarHBondContact O-N 2.89Å; A119-F205 HydrophobicContact CB-CD1 4.19Å; A119-F205 HydrophobicContact CB-CE1 3.73Å; A119-F205 HydrophobicContact CB-CZ 4.32Å
120D98.6Very high98.7Very high108 Ų10840.3 Ų40.358%0.57823%0.226SC*.  trans-76105.8164.2-66-45.3000108.2T66 N68 G122T66-D120 WeakPolarHBondContact CG2-OD2 3.34Å; T66-D120 PolarHBondContact OG1-OD2 2.93Å; N68-D120 PolarHBondContact ND2-O 2.94Å; N68-D120 PolarHBondContact OD1-N 2.77Å; D120-G122 PolarHBondContact O-N 3.01Å
121V98.8Very high98.7Very high27 Ų2741.6 Ų41.616%0.16423%0.231CC..  trans-79.5113.2-176.9-177.30000109.7A119 D123 A163 L166 F205 L345A119-V121 PolarHBondContact O-N 2.89Å; V121-D123 VanDerWaalsContact CG1-O 3.28Å; V121-D123 WeakPolarHBondContact CG1-O 3.3Å; V121-A163 HydrophobicContact CG1-CB 4.2Å; V121-L166 HydrophobicContact CB-CD1 3.88Å; V121-L166 HydrophobicContact CG1-CD1 3.73Å; V121-L166 HydrophobicContact CG2-CD1 3.83Å; V121-F205 HydrophobicContact CG2-CE1 3.96Å; V121-L345 HydrophobicContact CG1-CB 3.88Å; V121-L345 HydrophobicContact CG2-CB 4.37Å
122G98.2Very high98.7Very high32 Ų3238.9 Ų38.933%0.3321%0.207SC..SBendtrans-68.8-62.6175.500000111D120 R341D120-G122 PolarHBondContact O-N 3.01Å; G122-R341 VanDerWaalsContact C-NH2 3.31Å; G122-R341 VanDerWaalsContact CA-NH2 3.33Å
123D98.8Very high98.8Very high75 Ų7532.9 Ų32.940%0.40118%0.18SC..  trans-124.1143.8174.4-71-73.1000111.5V121 R341 D344 L345V121-D123 VanDerWaalsContact CG1-O 3.28Å; V121-D123 WeakPolarHBondContact CG1-O 3.3Å; D123-R341 IonicContact OD2-CZ 2.74Å; D123-R341 IonicContact OD2-NE 3.64Å; D123-R341 IonicContact OD2-NH2 3.96Å; D123-R341 PolarHBondContact OD2-NH2 2.85Å; D123-D344 PolarHBondContact N-OD1 2.82Å; D123-D344 WeakPolarHBondContact O-CA 3.32Å; D123-L345 PolarHBondContact O-N 2.85Å
124Y98.9Very high98.8Very high6 Ų632 Ų322%0.02417%0.173CC..EExtended strand (participates in β ladder)trans-118.3126.1172.3160.9-140000108.3D126 G161 L166 M231 T257 L345 A347Y124-D126 HydrophobicContact CE2-CB 3.93Å; Y124-D126 WeakPolarHBondContact OH-CB 3.41Å; Y124-G161 WeakPolarHBondContact O-CA 3.28Å; Y124-G161 PolarHBondContact O-N 3.16Å; Y124-L166 HydrophobicContact CD1-CD1 4.42Å; Y124-L166 HydrophobicContact CD1-CD2 4.31Å; Y124-L166 HydrophobicContact CD1-CG 4.39Å; Y124-L166 HydrophobicContact CG-CD1 4.26Å; Y124-M231 HydrophobicContact CD2-CE 4.48Å; Y124-M231 HydrophobicContact CE1-CE 4.06Å; Y124-M231 HydrophobicContact CE2-CE 3.48Å; Y124-M231 VanDerWaalsContact CE2-CE 3.48Å; Y124-M231 HydrophobicContact CE2-SD 4.46Å; Y124-M231 WeakPolarHBondContact OH-CE 3.35Å; Y124-T257 HydrophobicContact CE1-CG2 4.27Å; Y124-L345 WeakPolarHBondContact CA-O 3.47Å; Y124-L345 WeakPolarHBondContact CD2-O 2.97Å; Y124-A347 HydrophobicContact CE2-CB 3.71Å
125T98.9Very high98.8Very high6 Ų630 Ų304%0.03716%0.16CC..EExtended strand (participates in β ladder)trans-120.1134.7173.7-70.10000109.8F127 Y159 H333 L345 L346 A347T125-F127 HydrophobicContact CG2-CD2 4.18Å; T125-F127 HydrophobicContact CG2-CE2 3.79Å; T125-F127 HydrophobicContact CG2-CZ 4.19Å; T125-Y159 WeakPolarHBondContact CA-O 3.36Å; T125-H333 VanDerWaalsContact CB-CE1 3.49Å; T125-H333 WeakPolarHBondContact CB-CE1 3.36Å; T125-H333 PolarHBondContact OG1-CE1 3.23Å; T125-H333 PolarHBondContact OG1-NE2 3.13Å; T125-L345 PolarHBondContact N-O 2.86Å; T125-L346 CarbonylContact O-C 3.58Å; T125-L346 WeakPolarHBondContact O-CA 3.45Å; T125-A347 PolarHBondContact O-N 2.84Å
126D98.9Very high98.7Very high3 Ų328.9 Ų28.92%0.01616%0.155CC..EExtended strand (participates in β ladder)trans-109.7121.8177.3-170.927.2000110.2Y124 G158 Y159 E201 G349Y124-D126 HydrophobicContact CE2-CB 3.93Å; Y124-D126 WeakPolarHBondContact OH-CB 3.41Å; D126-G158 CarbonylContact O-C 3.58Å; D126-G158 WeakPolarHBondContact O-CA 3.47Å; D126-Y159 HydrophobicContact CB-CD1 4.19Å; D126-Y159 HydrophobicContact CB-CE1 3.57Å; D126-Y159 HydrophobicContact CB-CE2 4.27Å; D126-Y159 PolarHBondContact N-O 3.02Å; D126-Y159 WeakPolarHBondContact O-CD1 3.44Å; D126-Y159 PolarHBondContact O-N 2.97Å; D126-Y159 WeakPolarHBondContact OD2-CE1 3.39Å; D126-Y159 PolarHBondContact OD2-OH 3.27Å; D126-E201 VanDerWaalsContact OD1-OE2 3.05Å; D126-G349 PolarHBondContact OD1-N 3.17Å
127F98.9Very high98.6Very high4 Ų428.1 Ų28.12%0.01815%0.153CC..EExtended strand (participates in β ladder)trans-87.7-179.8176.5-75.9-88.2000111.3T125 P156 V157 Q329 H333 L346 A347 G349T125-F127 HydrophobicContact CG2-CD2 4.18Å; T125-F127 HydrophobicContact CG2-CE2 3.79Å; T125-F127 HydrophobicContact CG2-CZ 4.19Å; F127-P156 HydrophobicContact CD1-CB 3.94Å; F127-P156 WeakPolarHBondContact CD1-O 3.49Å; F127-P156 HydrophobicContact CE1-CB 4.08Å; F127-P156 HydrophobicContact CE1-CG 4.29Å; F127-P156 WeakPolarHBondContact CE1-O 3.46Å; F127-V157 CarbonylContact C-O 3.56Å; F127-V157 WeakPolarHBondContact CA-O 3.47Å; F127-Q329 HydrophobicContact CB-CG 4.39Å; F127-Q329 HydrophobicContact CD1-CB 4.21Å; F127-Q329 HydrophobicContact CD1-CG 3.81Å; F127-Q329 HydrophobicContact CD2-CB 4.01Å; F127-Q329 HydrophobicContact CD2-CG 3.98Å; F127-Q329 HydrophobicContact CE1-CB 3.91Å; F127-Q329 HydrophobicContact CE1-CG 4.01Å; F127-Q329 HydrophobicContact CE2-CB 3.72Å; F127-Q329 HydrophobicContact CE2-CG 4.19Å; F127-Q329 HydrophobicContact CG-CB 4.25Å; F127-Q329 HydrophobicContact CG-CG 3.78Å; F127-Q329 HydrophobicContact CZ-CB 3.66Å; F127-Q329 HydrophobicContact CZ-CG 4.19Å; F127-Q329 WeakPolarHBondContact CZ-O 3.28Å; F127-H333 HydrophobicContact CZ-CB 4.23Å; F127-L346 HydrophobicContact CE2-CB 4.22Å; F127-L346 HydrophobicContact CE2-CD2 4.01Å; F127-L346 HydrophobicContact CE2-CG 4.03Å; F127-A347 VanDerWaalsContact CB-O 3.31Å; F127-A347 WeakPolarHBondContact CB-O 3.4Å; F127-A347 WeakPolarHBondContact CD2-O 3.44Å; F127-A347 PolarHBondContact N-O 2.82Å; F127-G349 WeakPolarHBondContact O-CA 3.16Å; F127-G349 PolarHBondContact O-N 3.41Å
128Y98.8Very high98.5Very high61 Ų6125.5 Ų25.524%0.23914%0.139CC..  trans-136.950.5-179.8-163-119.6000110.4H133 A134 V137 W152 V157Y128-H133 AromaticContact CD2-CD2 3.92Å; Y128-H133 AromaticContact CE2-CD2 3.15Å; Y128-H133 WeakPolarHBondContact CE2-CD2 3.29Å; Y128-H133 AromaticContact CE2-NE2 3.22Å; Y128-H133 WeakPolarHBondContact CE2-NE2 3.22Å; Y128-H133 AromaticContact CZ-CD2 3.56Å; Y128-H133 AromaticContact CZ-NE2 3.8Å; Y128-A134 HydrophobicContact CD1-CB 3.96Å; Y128-A134 HydrophobicContact CE1-CB 3.36Å; Y128-A134 WeakPolarHBondContact OH-CA 3.35Å; Y128-V137 WeakPolarHBondContact OH-CB 3.25Å; Y128-V137 WeakPolarHBondContact OH-CG2 3.39Å; Y128-W152 AromaticContact CD1-CD1 3.7Å; Y128-W152 AromaticContact CD1-NE1 3.32Å; Y128-W152 VanDerWaalsContact CD1-NE1 3.32Å; Y128-W152 AromaticContact CE1-NE1 3.91Å; Y128-W152 VanDerWaalsContact O-CZ2 3.3Å; Y128-W152 WeakPolarHBondContact O-CZ2 3.43Å; Y128-W152 PolarHBondContact O-NE1 3.19Å; Y128-V157 PolarHBondContact N-O 3Å
129S98.9Very high98.4Very high0 Ų027.4 Ų27.40%015%0.149CC..  trans-94.90.1-158.6-64.10000116Y323 Q329 S348S129-Y323 WeakPolarHBondContact O-CB 3.44Å; S129-Y323 PolarHBondContact O-N 3.34Å; S129-Q329 PolarHBondContact OG-NE2 2.88Å; S129-S348 WeakPolarHBondContact CB-O 3.35Å; S129-S348 PolarHBondContact N-O 3.11Å; S129-S348 VanDerWaalsContact N-O 3.16Å
130S98.9Very high98.2Very high0 Ų028.4 Ų28.40%015%0.153CC..BIsolated β-bridgetrans-85.8119.9171.2169.80000110.1H133 A134 W152 T350 S352S130-H133 PolarHBondContact O-N 3.07Å; S130-H133 WeakPolarHBondContact OG-CB 3.1Å; S130-H133 PolarHBondContact OG-N 3.3Å; S130-A134 WeakPolarHBondContact O-CB 3.47Å; S130-A134 PolarHBondContact O-N 2.86Å; S130-W152 WeakPolarHBondContact O-CZ2 3.11Å; S130-T350 WeakPolarHBondContact CB-O 3.34Å; S130-S352 PolarHBondContact OG-N 3.35Å; S130-S352 PolarHBondContact OG-O 3.09Å
131K98.7Very high97.8Very high79 Ų7927.4 Ų27.434%0.34314%0.144SC..Hα-helixtrans-66.6-41179.5-170.4171.5177.9174.50111.9T135 L148 W152 L153 Y323K131-T135 VanDerWaalsContact O-CB 3.23Å; K131-T135 WeakPolarHBondContact O-CB 3.44Å; K131-T135 PolarHBondContact O-N 3.03Å; K131-T135 PolarHBondContact O-OG1 3.15Å; K131-L148 HydrophobicContact CG-CD1 4.23Å; K131-W152 HydrophobicContact CB-CH2 3.41Å; K131-W152 VanDerWaalsContact CB-CH2 3.41Å; K131-W152 HydrophobicContact CB-CZ2 4.32Å; K131-W152 HydrophobicContact CB-CZ3 3.73Å; K131-W152 HydrophobicContact CD-CZ3 4.16Å; K131-W152 HydrophobicContact CG-CH2 3.89Å; K131-W152 HydrophobicContact CG-CZ3 3.67Å; K131-L153 HydrophobicContact CD-CD2 4.37Å; K131-Y323 HydrophobicContact CB-CD2 4.44Å; K131-Y323 HydrophobicContact CB-CG 4.47Å; K131-Y323 HydrophobicContact CD-CD2 3.96Å; K131-Y323 HydrophobicContact CD-CE2 4.21Å
132D98.6Very high97.5Very high52 Ų5230.6 Ų30.628%0.27815%0.153SC..Hα-helixtrans-63.6-46.2177.9-68.2-69.3000110.8T135 N136D132-T135 PolarHBondContact O-N 3.25Å; D132-N136 WeakPolarHBondContact O-CB 3.4Å; D132-N136 PolarHBondContact O-N 2.96Å; D132-N136 PolarHBondContact O-ND2 2.94Å
133H98.8Very high97.2Very high5 Ų530.7 Ų30.72%0.02315%0.154CC..Hα-helixtrans-60.2-51.1177.1178.672.9000111.6Y128 S130 T135 N136 V137 T350 E364Y128-H133 AromaticContact CD2-CD2 3.92Å; Y128-H133 AromaticContact CE2-CD2 3.15Å; Y128-H133 WeakPolarHBondContact CE2-CD2 3.29Å; Y128-H133 AromaticContact CE2-NE2 3.22Å; Y128-H133 WeakPolarHBondContact CE2-NE2 3.22Å; Y128-H133 AromaticContact CZ-CD2 3.56Å; Y128-H133 AromaticContact CZ-NE2 3.8Å; S130-H133 PolarHBondContact O-N 3.07Å; S130-H133 WeakPolarHBondContact OG-CB 3.1Å; S130-H133 PolarHBondContact OG-N 3.3Å; H133-T135 VanDerWaalsContact C-N 3.25Å; H133-T135 PolarHBondContact O-N 2.76Å; H133-N136 PolarHBondContact O-N 2.99Å; H133-N136 VanDerWaalsContact O-N 3.16Å; H133-V137 WeakPolarHBondContact O-CG2 3.24Å; H133-V137 PolarHBondContact O-N 3.34Å; H133-T350 WeakPolarHBondContact CB-O 3.43Å; H133-T350 VanDerWaalsContact CE1-CB 3.42Å; H133-T350 WeakPolarHBondContact CE1-CB 3.36Å; H133-T350 WeakPolarHBondContact ND1-CB 3.42Å; H133-T350 WeakPolarHBondContact ND1-CG2 3.5Å; H133-E364 WeakPolarHBondContact CA-OE1 3.16Å; H133-E364 IonicContact CE1-OE2 3.92Å; H133-E364 PolarHBondContact CE1-OE2 3.49Å; H133-E364 IonicContact CG-OE2 3.88Å; H133-E364 IonicContact ND1-OE1 3.62Å; H133-E364 PolarHBondContact ND1-OE1 3.44Å; H133-E364 IonicContact ND1-OE2 3.86Å; H133-E364 PolarHBondContact ND1-OE2 2.99Å
134A98.4Very high96.8Very high1 Ų135.5 Ų35.51%0.00817%0.171CC..Hα-helixtrans-58.2-39.317900000112.7Y128 S130 G138 L148 W152Y128-A134 HydrophobicContact CD1-CB 3.96Å; Y128-A134 HydrophobicContact CE1-CB 3.36Å; Y128-A134 WeakPolarHBondContact OH-CA 3.35Å; S130-A134 WeakPolarHBondContact O-CB 3.47Å; S130-A134 PolarHBondContact O-N 2.86Å; A134-G138 PolarHBondContact O-N 2.88Å; A134-L148 HydrophobicContact CB-CD2 3.53Å; A134-W152 HydrophobicContact CB-CD2 4.15Å; A134-W152 VanDerWaalsContact CB-CE2 3.47Å; A134-W152 HydrophobicContact CB-CG 4.42Å; A134-W152 HydrophobicContact CB-CZ2 3.84Å; A134-W152 VanDerWaalsContact CB-NE1 3.3Å
135T98.5Very high96.4Very high37 Ų3744 Ų4423%0.22721%0.211CC..Hα-helixtrans-68-46.9176.6-58.90000111.1K131 D132 H133 G138 I139 A147K131-T135 VanDerWaalsContact O-CB 3.23Å; K131-T135 WeakPolarHBondContact O-CB 3.44Å; K131-T135 PolarHBondContact O-N 3.03Å; K131-T135 PolarHBondContact O-OG1 3.15Å; D132-T135 PolarHBondContact O-N 3.25Å; H133-T135 VanDerWaalsContact C-N 3.25Å; H133-T135 PolarHBondContact O-N 2.76Å; T135-G138 CarbonylContact O-C 3.52Å; T135-G138 WeakPolarHBondContact O-CA 3.28Å; T135-G138 PolarHBondContact O-N 3.29Å; T135-I139 HydrophobicContact CG2-CD1 3.87Å; T135-I139 HydrophobicContact CG2-CG1 4.36Å; T135-I139 VanDerWaalsContact O-CG1 3.24Å; T135-I139 WeakPolarHBondContact O-CG1 3.48Å; T135-I139 PolarHBondContact O-N 2.74Å; T135-A147 HydrophobicContact CG2-CB 3.99Å
136N98.5Very high96.1Very high15 Ų1548.6 Ų48.68%0.0824%0.235CC..Hα-helixtrans-58.3-52.1179.3-75.1-25.5000111.7D132 H133 G138 I139 M140 F359 E364 W367D132-N136 WeakPolarHBondContact O-CB 3.4Å; D132-N136 PolarHBondContact O-N 2.96Å; D132-N136 PolarHBondContact O-ND2 2.94Å; H133-N136 PolarHBondContact O-N 2.99Å; H133-N136 VanDerWaalsContact O-N 3.16Å; N136-G138 VanDerWaalsContact C-N 3.3Å; N136-G138 PolarHBondContact O-N 2.93Å; N136-I139 PolarHBondContact O-N 3Å; N136-M140 WeakPolarHBondContact O-CG 3.22Å; N136-M140 PolarHBondContact O-N 3.32Å; N136-M140 VanDerWaalsContact O-N 3.1Å; N136-F359 VanDerWaalsContact ND2-CE1 3.25Å; N136-F359 WeakPolarHBondContact ND2-CE1 3.48Å; N136-F359 WeakPolarHBondContact ND2-CZ 3.42Å; N136-E364 HydrophobicContact CB-CG 3.98Å; N136-E364 PolarHBondContact ND2-OE1 2.88Å; N136-W367 HydrophobicContact CB-CZ3 4.33Å
137V96.8Very high95.9Very high22 Ų2249 Ų4913%0.13324%0.239CC..Hα-helixtrans-58.9-46.2175.4174.80000109.8Y128 H133 I139 M140 F141 L363Y128-V137 WeakPolarHBondContact OH-CB 3.25Å; Y128-V137 WeakPolarHBondContact OH-CG2 3.39Å; H133-V137 WeakPolarHBondContact O-CG2 3.24Å; H133-V137 PolarHBondContact O-N 3.34Å; V137-I139 VanDerWaalsContact C-N 3.34Å; V137-I139 PolarHBondContact O-N 2.83Å; V137-M140 PolarHBondContact O-N 3.49Å; V137-M140 VanDerWaalsContact O-N 3.13Å; V137-F141 HydrophobicContact CG1-CD2 3.77Å; V137-F141 HydrophobicContact CG1-CE2 4.04Å; V137-F141 VanDerWaalsContact O-CD2 3.3Å; V137-F141 WeakPolarHBondContact O-CD2 3.45Å; V137-F141 PolarHBondContact O-N 3.22Å; V137-F141 VanDerWaalsContact O-N 3.1Å; V137-L363 HydrophobicContact CG2-CD2 4.3Å
138G96Very high95.8Very high0 Ų051 Ų510%025%0.25CC..Hα-helixtrans-52.4-47.917500000113.9A134 T135 N136 M140 F141 R142 G143 A147A134-G138 PolarHBondContact O-N 2.88Å; T135-G138 CarbonylContact O-C 3.52Å; T135-G138 WeakPolarHBondContact O-CA 3.28Å; T135-G138 PolarHBondContact O-N 3.29Å; N136-G138 VanDerWaalsContact C-N 3.3Å; N136-G138 PolarHBondContact O-N 2.93Å; G138-M140 VanDerWaalsContact C-N 3.34Å; G138-M140 PolarHBondContact O-N 2.84Å; G138-F141 PolarHBondContact O-N 3.34Å; G138-R142 WeakPolarHBondContact O-CA 3.28Å; G138-R142 WeakPolarHBondContact O-CB 3.42Å; G138-R142 PolarHBondContact O-N 3.33Å; G138-G143 PolarHBondContact O-N 2.67Å; G138-A147 WeakPolarHBondContact CA-O 3.01Å
139I97.5Very high95.6Very high40 Ų4052.8 Ų52.821%0.20526%0.261CS..Hα-helixtrans-60.4-44.8177.7-66.6163.7000110.8T135 N136 V137 F141 G143 K144 A147 W367T135-I139 HydrophobicContact CG2-CD1 3.87Å; T135-I139 HydrophobicContact CG2-CG1 4.36Å; T135-I139 VanDerWaalsContact O-CG1 3.24Å; T135-I139 WeakPolarHBondContact O-CG1 3.48Å; T135-I139 PolarHBondContact O-N 2.74Å; N136-I139 PolarHBondContact O-N 3Å; V137-I139 VanDerWaalsContact C-N 3.34Å; V137-I139 PolarHBondContact O-N 2.83Å; I139-F141 VanDerWaalsContact C-N 3.3Å; I139-F141 PolarHBondContact O-N 3.06Å; I139-G143 VanDerWaalsContact O-CA 3.28Å; I139-G143 WeakPolarHBondContact O-CA 3.19Å; I139-G143 PolarHBondContact O-N 2.77Å; I139-K144 HydrophobicContact CG1-CG 4.17Å; I139-K144 HydrophobicContact CG2-CG 3.82Å; I139-A147 HydrophobicContact CG1-CB 3.91Å; I139-W367 HydrophobicContact CB-CH2 4.32Å; I139-W367 HydrophobicContact CB-CZ2 4.33Å; I139-W367 HydrophobicContact CD1-CH2 4.42Å; I139-W367 HydrophobicContact CG2-CH2 4.14Å; I139-W367 HydrophobicContact CG2-CZ2 3.71Å
140M94.6Very high95.6Very high23 Ų2358.3 Ų58.311%0.11330%0.297CS..Hα-helixtrans-66.2-29.3-177.7-67.7-177.2-16500114.1N136 V137 G138 L363 E364 W367 R368N136-M140 WeakPolarHBondContact O-CG 3.22Å; N136-M140 PolarHBondContact O-N 3.32Å; N136-M140 VanDerWaalsContact O-N 3.1Å; V137-M140 PolarHBondContact O-N 3.49Å; V137-M140 VanDerWaalsContact O-N 3.13Å; G138-M140 VanDerWaalsContact C-N 3.34Å; G138-M140 PolarHBondContact O-N 2.84Å; M140-L363 WeakPolarHBondContact CE-O 3.29Å; M140-L363 HydrophobicContact SD-CD1 3.99Å; M140-L363 HydrophobicContact SD-CG 4.03Å; M140-E364 HydrophobicContact CE-CG 4.5Å; M140-W367 HydrophobicContact CE-CB 4.49Å; M140-W367 HydrophobicContact CE-CD2 3.6Å; M140-W367 HydrophobicContact CE-CE3 3.31Å; M140-W367 HydrophobicContact CE-CG 4.15Å; M140-W367 HydrophobicContact CE-CH2 4.21Å; M140-W367 HydrophobicContact CE-CZ2 4.46Å; M140-W367 HydrophobicContact CE-CZ3 3.64Å; M140-W367 HydrophobicContact CG-CZ2 4.27Å; M140-R368 PolarHBondContact O-NH1 3.09Å; M140-R368 HydrophobicContact SD-CB 3.88Å
141F89.1Confident95.5Very high88 Ų8861.8 Ų61.839%0.38632%0.316SS..Hα-helixtrans-105.2-32.1-174.3-77.1-84.7000114V137 G138 I139V137-F141 HydrophobicContact CG1-CD2 3.77Å; V137-F141 HydrophobicContact CG1-CE2 4.04Å; V137-F141 VanDerWaalsContact O-CD2 3.3Å; V137-F141 WeakPolarHBondContact O-CD2 3.45Å; V137-F141 PolarHBondContact O-N 3.22Å; V137-F141 VanDerWaalsContact O-N 3.1Å; G138-F141 PolarHBondContact O-N 3.34Å; I139-F141 VanDerWaalsContact C-N 3.3Å; I139-F141 PolarHBondContact O-N 3.06Å
142R92.1Very high95.5Very high94 Ų9458.3 Ų58.336%0.35530%0.301SS..Hα-helixtrans-125.4-3.8-172.7-62.4-177.9-67.6-83.64.3113.9G138 N146 A147G138-R142 WeakPolarHBondContact O-CA 3.28Å; G138-R142 WeakPolarHBondContact O-CB 3.42Å; G138-R142 PolarHBondContact O-N 3.33Å; R142-N146 HydrophobicContact CB-CB 4.16Å; R142-N146 PolarHBondContact NE-O 3.05Å; R142-A147 PolarHBondContact NH2-O 2.95Å
143G92.1Very high95.5Very high33 Ų3357.6 Ų57.634%0.3430%0.296SS..  trans82.3168.8-175.800000113.3G138 I139 E145 N146 A147G138-G143 PolarHBondContact O-N 2.67Å; I139-G143 VanDerWaalsContact O-CA 3.28Å; I139-G143 WeakPolarHBondContact O-CA 3.19Å; I139-G143 PolarHBondContact O-N 2.77Å; G143-E145 VanDerWaalsContact C-N 3.33Å; G143-E145 PolarHBondContact O-N 2.89Å; G143-N146 PolarHBondContact O-N 3.23Å; G143-A147 PolarHBondContact O-N 2.78Å
144K91.9Very high95.5Very high177 Ų17764.1 Ų64.177%0.7732%0.321SS*.G310 helixtrans-62.4-36.3-171.7-68-175.1177.2-176.80114.2I139 N146I139-K144 HydrophobicContact CG1-CG 4.17Å; I139-K144 HydrophobicContact CG2-CG 3.82Å; K144-N146 VanDerWaalsContact C-N 3.3Å; K144-N146 PolarHBondContact O-N 2.94Å
145E90.1Very high95.5Very high185 Ų18566.6 Ų66.686%0.86433%0.333SS*.G310 helixtrans-71.5-26.1-175.6-62.1178.9-176.300112.8G143G143-E145 VanDerWaalsContact C-N 3.33Å; G143-E145 PolarHBondContact O-N 2.89Å
146N92.4Very high95.5Very high102 Ų10264.8 Ų64.855%0.54532%0.323SS..G310 helixtrans-120.831.5-173.8-60.2-60.7000112R142 G143 K144R142-N146 HydrophobicContact CB-CB 4.16Å; R142-N146 PolarHBondContact NE-O 3.05Å; G143-N146 PolarHBondContact O-N 3.23Å; K144-N146 VanDerWaalsContact C-N 3.3Å; K144-N146 PolarHBondContact O-N 2.94Å
147A94.8Very high95.6Very high10 Ų1066 Ų668%0.08333%0.33CS..  trans-63.1-54.6-17200000112T135 G138 I139 R142 G143T135-A147 HydrophobicContact CG2-CB 3.99Å; G138-A147 WeakPolarHBondContact CA-O 3.01Å; I139-A147 HydrophobicContact CG1-CB 3.91Å; R142-A147 PolarHBondContact NH2-O 2.95Å; G143-A147 PolarHBondContact O-N 2.78Å
148L96.4Very high95.6Very high48 Ų4866.7 Ų66.725%0.25134%0.342SS..SBendtrans-90.1136.2176.3-64.7179.2000110.9K131 A134 W152 L153K131-L148 HydrophobicContact CG-CD1 4.23Å; A134-L148 HydrophobicContact CB-CD2 3.53Å; L148-W152 HydrophobicContact CD1-CE3 3.99Å; L148-W152 HydrophobicContact CD2-CD2 3.96Å; L148-W152 HydrophobicContact CD2-CE3 4.14Å; L148-W152 HydrophobicContact CD2-CG 4.14Å; L148-L153 HydrophobicContact CD1-CD1 4.41Å; L148-L153 HydrophobicContact CD1-CD2 4.29Å; L148-L153 HydrophobicContact CD1-CG 4.27Å
149M95.5Very high95.8Very high97 Ų9769.2 Ų69.248%0.47835%0.352SS..  trans-71.7151.4170.5-65.2-67.5-71.100109.8N151 W152M149-N151 VanDerWaalsContact CB-OD1 3.3Å; M149-N151 WeakPolarHBondContact CB-OD1 3.36Å; M149-N151 PolarHBondContact O-N 2.96Å; M149-W152 WeakPolarHBondContact O-CB 3.32Å; M149-W152 PolarHBondContact O-N 3.26Å
150P97Very high95.8Very high116 Ų11673.9 Ų73.975%0.75337%0.373SS*.THydrogen-bonded Turntrans-57.3-27.9-172.2-27.535.2000115.6
151N98.3Very high96Very high73 Ų7374 Ų7439%0.3938%0.379SS..THydrogen-bonded Turntrans-81.3-20.7-179.160.8-23.8000113.9M149 L153 R154 L155M149-N151 VanDerWaalsContact CB-OD1 3.3Å; M149-N151 WeakPolarHBondContact CB-OD1 3.36Å; M149-N151 PolarHBondContact O-N 2.96Å; N151-L153 VanDerWaalsContact C-N 3.32Å; N151-L153 PolarHBondContact O-N 3Å; N151-R154 WeakPolarHBondContact O-CA 3.19Å; N151-R154 WeakPolarHBondContact O-CB 3.34Å; N151-R154 PolarHBondContact O-N 2.92Å; N151-L155 PolarHBondContact O-N 3Å
152W98.7Very high96.5Very high7 Ų776.2 Ų76.23%0.02739%0.386CS..THydrogen-bonded Turntrans-62.5-37.3-167.6-168.190.6000113.3Y128 S130 K131 A134 L148 M149 R154 Y323 W324Y128-W152 AromaticContact CD1-CD1 3.7Å; Y128-W152 AromaticContact CD1-NE1 3.32Å; Y128-W152 VanDerWaalsContact CD1-NE1 3.32Å; Y128-W152 AromaticContact CE1-NE1 3.91Å; Y128-W152 VanDerWaalsContact O-CZ2 3.3Å; Y128-W152 WeakPolarHBondContact O-CZ2 3.43Å; Y128-W152 PolarHBondContact O-NE1 3.19Å; S130-W152 WeakPolarHBondContact O-CZ2 3.11Å; K131-W152 HydrophobicContact CB-CH2 3.41Å; K131-W152 VanDerWaalsContact CB-CH2 3.41Å; K131-W152 HydrophobicContact CB-CZ2 4.32Å; K131-W152 HydrophobicContact CB-CZ3 3.73Å; K131-W152 HydrophobicContact CD-CZ3 4.16Å; K131-W152 HydrophobicContact CG-CH2 3.89Å; K131-W152 HydrophobicContact CG-CZ3 3.67Å; A134-W152 HydrophobicContact CB-CD2 4.15Å; A134-W152 VanDerWaalsContact CB-CE2 3.47Å; A134-W152 HydrophobicContact CB-CG 4.42Å; A134-W152 HydrophobicContact CB-CZ2 3.84Å; A134-W152 VanDerWaalsContact CB-NE1 3.3Å; L148-W152 HydrophobicContact CD1-CE3 3.99Å; L148-W152 HydrophobicContact CD2-CD2 3.96Å; L148-W152 HydrophobicContact CD2-CE3 4.14Å; L148-W152 HydrophobicContact CD2-CG 4.14Å; M149-W152 WeakPolarHBondContact O-CB 3.32Å; M149-W152 PolarHBondContact O-N 3.26Å; W152-R154 VanDerWaalsContact C-N 3.27Å; W152-R154 PolarHBondContact O-N 3.29Å; W152-Y323 AromaticContact CH2-CD1 3.93Å; W152-Y323 HydrophobicContact CH2-CD1 3.93Å; W152-Y323 AromaticContact CH2-CG 3.89Å; W152-Y323 HydrophobicContact CH2-CG 3.89Å; W152-Y323 AromaticContact CZ3-CD1 3.74Å; W152-Y323 HydrophobicContact CZ3-CD1 3.74Å; W152-Y323 HydrophobicContact CZ3-CE1 4.22Å; W152-Y323 AromaticContact CZ3-CG 3.93Å; W152-Y323 HydrophobicContact CZ3-CG 3.93Å; W152-W324 PolarHBondContact O-NE1 3.2Å; W152-W324 VanDerWaalsContact O-NE1 3.14Å
153L98.6Very high96.8Very high37 Ų3773 Ų7319%0.19438%0.379CS..THydrogen-bonded Turntrans-843.1176-63.5171.5000113.5K131 L148 N151 Y323K131-L153 HydrophobicContact CD-CD2 4.37Å; L148-L153 HydrophobicContact CD1-CD1 4.41Å; L148-L153 HydrophobicContact CD1-CD2 4.29Å; L148-L153 HydrophobicContact CD1-CG 4.27Å; N151-L153 VanDerWaalsContact C-N 3.32Å; N151-L153 PolarHBondContact O-N 3Å; L153-Y323 HydrophobicContact CD2-CE1 3.94Å; L153-Y323 HydrophobicContact CD2-CE2 4.26Å
154R98.6Very high97.1Very high142 Ų14275.8 Ų75.854%0.53639%0.393SS..THydrogen-bonded Turntrans-110.2-29.1-175.1-57.6-61.4-170.2167.10.1113.4N151 W152N151-R154 WeakPolarHBondContact O-CA 3.19Å; N151-R154 WeakPolarHBondContact O-CB 3.34Å; N151-R154 PolarHBondContact O-N 2.92Å; W152-R154 VanDerWaalsContact C-N 3.27Å; W152-R154 PolarHBondContact O-N 3.29Å
155L98.8Very high97.5Very high52 Ų5268.1 Ų68.127%0.27236%0.362SS..SBendtrans-148.3151.9177.558.986000110.3N151 V157N151-L155 PolarHBondContact O-N 3Å; L155-V157 HydrophobicContact CD1-CB 4.25Å; L155-V157 HydrophobicContact CD1-CG2 3.61Å; L155-V157 PolarHBondContact O-N 3.47Å
156P98.8Very high97.9Very high0 Ų059.7 Ų59.70%032%0.323CS..  trans-72.693.717229.8-32.8000109.1F127 G158 W324 Q329 H332F127-P156 HydrophobicContact CD1-CB 3.94Å; F127-P156 WeakPolarHBondContact CD1-O 3.49Å; F127-P156 HydrophobicContact CE1-CB 4.08Å; F127-P156 HydrophobicContact CE1-CG 4.29Å; F127-P156 WeakPolarHBondContact CE1-O 3.46Å; P156-G158 PolarHBondContact O-N 3.28Å; P156-W324 HydrophobicContact CB-CB 3.91Å; P156-W324 HydrophobicContact CB-CD2 3.9Å; P156-W324 HydrophobicContact CB-CE3 4.31Å; P156-W324 HydrophobicContact CB-CG 3.7Å; P156-W324 HydrophobicContact CG-CD2 4.44Å; P156-W324 HydrophobicContact CG-CE3 4.39Å; P156-Q329 HydrophobicContact CB-CG 4.2Å; P156-H332 HydrophobicContact CG-CB 3.41Å; P156-H332 VanDerWaalsContact CG-CB 3.41Å; P156-H332 PolarHBondContact O-CD2 3.41Å
157V98.7Very high98.2Very high40 Ų4056.4 Ų56.424%0.24231%0.306CS..  trans-59.3138.4177.9-175.80000109F127 Y128 L155F127-V157 CarbonylContact C-O 3.56Å; F127-V157 WeakPolarHBondContact CA-O 3.47Å; Y128-V157 PolarHBondContact N-O 3Å; L155-V157 HydrophobicContact CD1-CB 4.25Å; L155-V157 HydrophobicContact CD1-CG2 3.61Å; L155-V157 PolarHBondContact O-N 3.47Å
158G98.7Very high98.4Very high37 Ų3757.1 Ų57.138%0.38131%0.309SS..EExtended strand (participates in β ladder)trans-158.2173174.300000111.8D126 P156D126-G158 CarbonylContact O-C 3.58Å; D126-G158 WeakPolarHBondContact O-CA 3.47Å; P156-G158 PolarHBondContact O-N 3.28Å
159Y98.8Very high98.5Very high52 Ų5256.3 Ų56.320%0.20431%0.308CS..EExtended strand (participates in β ladder)trans-143.6159.1178.866.1-78.1000110.8T125 D126 G161 D233 P249 K253T125-Y159 WeakPolarHBondContact CA-O 3.36Å; D126-Y159 HydrophobicContact CB-CD1 4.19Å; D126-Y159 HydrophobicContact CB-CE1 3.57Å; D126-Y159 HydrophobicContact CB-CE2 4.27Å; D126-Y159 PolarHBondContact N-O 3.02Å; D126-Y159 WeakPolarHBondContact O-CD1 3.44Å; D126-Y159 PolarHBondContact O-N 2.97Å; D126-Y159 WeakPolarHBondContact OD2-CE1 3.39Å; D126-Y159 PolarHBondContact OD2-OH 3.27Å; Y159-G161 PolarHBondContact O-N 2.7Å; Y159-D233 PolarHBondContact OH-OD2 3.45Å; Y159-P249 HydrophobicContact CE1-CG 4.28Å; Y159-P249 HydrophobicContact CE2-CB 4.07Å; Y159-P249 HydrophobicContact CE2-CG 4.23Å; Y159-K253 WeakPolarHBondContact OH-CE 3.41Å
160H98.9Very high98.7Very high138 Ų13853.8 Ų53.864%0.63931%0.307SS*.EExtended strand (participates in β ladder)trans-72.9117.8174.3-58.8-62.7000109.6
161G98.7Very high98.7Very high25 Ų2550.5 Ų50.526%0.25829%0.285SS..  trans-80.4-170.8171.800000111.9Y124 Y159Y124-G161 WeakPolarHBondContact O-CA 3.28Å; Y124-G161 PolarHBondContact O-N 3.16Å; Y159-G161 PolarHBondContact O-N 2.7Å
162R98.9Very high98.8Very high136 Ų13650.3 Ų50.351%0.51329%0.288SS..  trans-110.7105.1179.9-173.969.2-177.7179.4-0.5111.8S164 S165 N254R162-S164 PolarHBondContact NE-OG 3.07Å; R162-S164 PolarHBondContact O-N 3.19Å; R162-S165 WeakPolarHBondContact CB-OG 3.34Å; R162-S165 WeakPolarHBondContact CG-OG 3.47Å; R162-S165 PolarHBondContact O-N 2.87Å; R162-S165 PolarHBondContact O-OG 3.3Å; R162-S165 VanDerWaalsContact O-OG 3.09Å; R162-N254 HydrophobicContact CB-CB 3.59Å; R162-N254 HydrophobicContact CG-CB 3.93Å
163A98.7Very high98.8Very high26 Ų2650.3 Ų50.322%0.21529%0.288CS..G310 helixtrans-61.4-39179.500000113.4V121 S165 L166V121-A163 HydrophobicContact CG1-CB 4.2Å; A163-S165 PolarHBondContact O-N 3.31Å; A163-S165 VanDerWaalsContact O-N 3.1Å; A163-L166 WeakPolarHBondContact O-CB 3.28Å; A163-L166 PolarHBondContact O-N 3.35Å; A163-L166 VanDerWaalsContact O-N 3.1Å
164S98.8Very high98.8Very high91 Ų9152.7 Ų52.764%0.63630%0.298SS*.G310 helixtrans-65.9-16.7-175.3710000115.1R162R162-S164 PolarHBondContact NE-OG 3.07Å; R162-S164 PolarHBondContact O-N 3.19Å
165S98.8Very high98.8Very high16 Ų1647 Ų4711%0.11228%0.276CS..G310 helixtrans-105.39179.853.50000112.5R162 A163 N254 T257R162-S165 WeakPolarHBondContact CB-OG 3.34Å; R162-S165 WeakPolarHBondContact CG-OG 3.47Å; R162-S165 PolarHBondContact O-N 2.87Å; R162-S165 PolarHBondContact O-OG 3.3Å; R162-S165 VanDerWaalsContact O-OG 3.09Å; A163-S165 PolarHBondContact O-N 3.31Å; A163-S165 VanDerWaalsContact O-N 3.1Å; S165-N254 WeakPolarHBondContact CB-O 3.35Å; S165-N254 PolarHBondContact OG-O 2.85Å; S165-T257 PolarHBondContact O-N 2.93Å
166L98.9Very high98.8Very high9 Ų945.3 Ų45.35%0.04727%0.268CS..EExtended strand (participates in β ladder)trans-69.8128.8166.4-72.5168000109.2V121 Y124 A163 T257 I259 L345V121-L166 HydrophobicContact CB-CD1 3.88Å; V121-L166 HydrophobicContact CG1-CD1 3.73Å; V121-L166 HydrophobicContact CG2-CD1 3.83Å; Y124-L166 HydrophobicContact CD1-CD1 4.42Å; Y124-L166 HydrophobicContact CD1-CD2 4.31Å; Y124-L166 HydrophobicContact CD1-CG 4.39Å; Y124-L166 HydrophobicContact CG-CD1 4.26Å; A163-L166 WeakPolarHBondContact O-CB 3.28Å; A163-L166 PolarHBondContact O-N 3.35Å; A163-L166 VanDerWaalsContact O-N 3.1Å; L166-T257 CarbonylContact C-O 3.47Å; L166-T257 VanDerWaalsContact CA-O 3.32Å; L166-T257 WeakPolarHBondContact CA-O 3.33Å; L166-T257 HydrophobicContact CD2-CG2 3.54Å; L166-I259 HydrophobicContact CD2-CG2 4.27Å; L166-L345 HydrophobicContact CD1-CD2 3.91Å; L166-L345 HydrophobicContact CD2-CD2 3.95Å
167V98.9Very high98.8Very high33 Ų3347 Ų4720%0.228%0.28CS..EExtended strand (participates in β ladder)trans-133149.6-178.6-61.20000110.8T171 I173 T257 T258 I259V167-T171 HydrophobicContact CB-CG2 3.89Å; V167-T171 HydrophobicContact CG1-CG2 4.07Å; V167-T171 HydrophobicContact CG2-CG2 3.99Å; V167-I173 HydrophobicContact CG2-CD1 4.04Å; V167-T257 PolarHBondContact N-O 2.98Å; V167-T258 WeakPolarHBondContact O-CA 3.5Å; V167-I259 PolarHBondContact O-N 3.49Å
168V98.8Very high98.7Very high24 Ų2445.3 Ų45.315%0.14527%0.271CS..EExtended strand (participates in β ladder)trans-72.9147.3176.169.30000110.6L117 G170 T171 P261L117-V168 HydrophobicContact CD2-CB 4.24Å; L117-V168 HydrophobicContact CG-CB 4.35Å; V168-G170 PolarHBondContact O-N 3.22Å; V168-T171 WeakPolarHBondContact O-CB 3.33Å; V168-T171 PolarHBondContact O-N 2.99Å; V168-T171 PolarHBondContact O-OG1 3.23Å; V168-P261 HydrophobicContact CG2-CB 3.85Å
169S98.9Very high98.7Very high31 Ų3148.8 Ų48.822%0.21728%0.277CS..THydrogen-bonded Turntrans-39.4134.3170-1710000113.4I259 L407 C408 K409S169-I259 PolarHBondContact N-O 2.9Å; S169-L407 WeakPolarHBondContact CB-O 3.29Å; S169-L407 PolarHBondContact OG-O 2.83Å; S169-C408 WeakPolarHBondContact OG-CA 3.49Å; S169-K409 PolarHBondContact OG-N 3.04Å
170G98.7Very high98.7Very high45 Ų4546.7 Ų46.746%0.46427%0.269SS..THydrogen-bonded Turntrans96.3-16.2-176.400000114.1V168 P172 K409V168-G170 PolarHBondContact O-N 3.22Å; G170-P172 WeakPolarHBondContact O-CD 3.29Å; G170-K409 PolarHBondContact N-O 2.89Å
171T98.9Very high98.7Very high47 Ų4743.9 Ų43.929%0.28825%0.253SS..  trans-65.5123.7176.3-55.60000110.6V167 V168V167-T171 HydrophobicContact CB-CG2 3.89Å; V167-T171 HydrophobicContact CG1-CG2 4.07Å; V167-T171 HydrophobicContact CG2-CG2 3.99Å; V168-T171 WeakPolarHBondContact O-CB 3.33Å; V168-T171 PolarHBondContact O-N 2.99Å; V168-T171 PolarHBondContact O-OG1 3.23Å
172P98.6Very high98.5Very high69 Ų6947.6 Ų47.645%0.44827%0.272SS..  trans-66.2145.8175-20.433000112.2G170 L413G170-P172 WeakPolarHBondContact O-CD 3.29Å; P172-L413 HydrophobicContact CB-CD1 3.53Å; P172-L413 HydrophobicContact CB-CD2 4.26Å; P172-L413 HydrophobicContact CB-CG 3.73Å; P172-L413 HydrophobicContact CG-CD1 4.45Å
173I98.8Very high98.4Very high7 Ų743.7 Ų43.74%0.03626%0.262CS..EExtended strand (participates in β ladder)trans-114.5118.9-179.7-56.6-60.3000109.4V167 W234 F255 T411 I412 L413V167-I173 HydrophobicContact CG2-CD1 4.04Å; I173-W234 HydrophobicContact CG1-CD2 4.28Å; I173-W234 HydrophobicContact CG1-CG 4.39Å; I173-W234 HydrophobicContact CG1-CZ2 4.13Å; I173-W234 HydrophobicContact CG2-CG 4.42Å; I173-F255 HydrophobicContact CG2-CD2 3.85Å; I173-F255 HydrophobicContact CG2-CE2 3.68Å; I173-T411 PolarHBondContact N-O 2.83Å; I173-I412 HydrophobicContact CB-CD1 4.16Å; I173-I412 HydrophobicContact CG2-CD1 4.46Å; I173-I412 CarbonylContact O-C 3.51Å; I173-I412 WeakPolarHBondContact O-CA 3.45Å; I173-L413 PolarHBondContact O-N 2.7Å
174H98.8Very high98.2Very high87 Ų8748.6 Ų48.640%0.40328%0.28SS..EExtended strand (participates in β ladder)trans-72.5134172.1-80.2-83.2000110.6P176 L413 P414H174-P176 WeakPolarHBondContact O-CD 3.48Å; H174-L413 WeakPolarHBondContact NE2-CD1 3.35Å; H174-P414 PolarHBondContact ND1-O 3.1Å
175R98.8Very high98.1Very high22 Ų2250.1 Ų50.18%0.08329%0.286CS..PPolyproline II helixtrans-55.6123.8167.5175.5-180-62-77.8-12.2109.3P192 S193 L196 L384 N386 I412 L413 A415R175-P192 HydrophobicContact CG-CB 4.49Å; R175-S193 WeakPolarHBondContact CD-O 3.33Å; R175-S193 PolarHBondContact NH1-O 3.2Å; R175-L196 HydrophobicContact CB-CD2 4.31Å; R175-L196 HydrophobicContact CG-CD2 4.44Å; R175-L384 PolarHBondContact NH2-O 3.43Å; R175-N386 PolarHBondContact NE-OD1 3.18Å; R175-N386 PolarHBondContact NH2-OD1 3.09Å; R175-I412 HydrophobicContact CB-CG2 4.48Å; R175-L413 PolarHBondContact N-O 3.18Å; R175-A415 HydrophobicContact CB-CB 4.18Å; R175-A415 HydrophobicContact CG-CB 4.29Å; R175-A415 WeakPolarHBondContact O-CA 3.06Å; R175-A415 VanDerWaalsContact O-CB 3.31Å; R175-A415 WeakPolarHBondContact O-CB 3.43Å
176P98.7Very high98.1Very high16 Ų1655.2 Ų55.210%0.10431%0.306CS..PPolyproline II helixtrans-73.3146.9-177.729.8-34.7000111.1H174 S193 L196 A236 I239 F255H174-P176 WeakPolarHBondContact O-CD 3.48Å; P176-S193 PolarHBondContact O-N 3.24Å; P176-L196 HydrophobicContact CG-CD1 4.49Å; P176-A236 HydrophobicContact CG-CB 3.7Å; P176-I239 HydrophobicContact CB-CD1 4.33Å; P176-I239 HydrophobicContact CG-CD1 4.24Å; P176-F255 HydrophobicContact CB-CB 4.04Å; P176-F255 HydrophobicContact CB-CD1 4.25Å; P176-F255 HydrophobicContact CB-CD2 4.28Å; P176-F255 HydrophobicContact CB-CG 3.93Å; P176-F255 HydrophobicContact CG-CB 4.47Å; P176-F255 HydrophobicContact CG-CD1 3.86Å; P176-F255 HydrophobicContact CG-CD2 3.95Å; P176-F255 HydrophobicContact CG-CE1 4.03Å; P176-F255 HydrophobicContact CG-CE2 4.1Å; P176-F255 HydrophobicContact CG-CG 3.82Å; P176-F255 HydrophobicContact CG-CZ 4.14Å
177C98.6Very high98.1Very high36 Ų3659.8 Ų59.824%0.24334%0.336CS..EExtended strand (participates in β ladder)trans-94.6142.4160-71.30000108.9F190 G191C177-F190 HydrophobicContact CB-CE1 4.12Å; C177-F190 HydrophobicContact CB-CZ 3.82Å; C177-G191 CarbonylContact C-O 3.54Å; C177-G191 VanDerWaalsContact CA-O 3.26Å; C177-G191 WeakPolarHBondContact CA-O 3.36Å
178G98.1Very high98.1Very high5 Ų560.7 Ų60.75%0.05234%0.343CS..EExtended strand (participates in β ladder)trans-164.9-175.3178.300000112.3F190 G191G178-F190 WeakPolarHBondContact O-CA 3.45Å; G178-F190 WeakPolarHBondContact O-CD2 3.07Å; G178-G191 PolarHBondContact N-O 2.89Å; G178-G191 PolarHBondContact O-N 3.26Å
179Q98.4Very high98Very high110 Ų11064 Ų6451%0.51436%0.358SS..EExtended strand (participates in β ladder)trans-84.1134.8170.5-69.1-170.510.100110.4I189 F190Q179-I189 CarbonylContact C-O 3.45Å; Q179-I189 WeakPolarHBondContact CA-O 3.3Å; Q179-F190 HydrophobicContact CG-CD2 4.39Å
180M98.3Very high98Very high8 Ų868.7 Ų68.74%0.03938%0.375CS..EExtended strand (participates in β ladder)trans-137.2155.7173-53.689.471.100110.2P182 P188 I189 D238 I239M180-P182 WeakPolarHBondContact O-CD 3.27Å; M180-P188 CarbonylContact O-C 3.59Å; M180-P188 WeakPolarHBondContact O-CA 3.09Å; M180-P188 WeakPolarHBondContact O-CB 3.42Å; M180-I189 PolarHBondContact N-O 3.32Å; M180-I189 PolarHBondContact O-N 3.37Å; M180-D238 HydrophobicContact CB-CB 4.4Å; M180-D238 HydrophobicContact CG-CB 3.93Å; M180-I239 HydrophobicContact CG-CG1 3.76Å; M180-I239 HydrophobicContact SD-CG1 3.86Å
181R97.9Very high98Very high79 Ų7967.1 Ų67.130%0.29836%0.36SS..  trans-124.775.7175.3-165.3174.7-179.8-169.2-5.5111.7D183 Q184 K186 P188 W242R181-D183 VanDerWaalsContact C-N 3.31Å; R181-D183 PolarHBondContact O-N 3.49Å; R181-Q184 PolarHBondContact NH2-O 3.2Å; R181-Q184 PolarHBondContact O-NE2 2.95Å; R181-K186 PolarHBondContact NE-O 3Å; R181-K186 VanDerWaalsContact NE-O 3.09Å; R181-P188 HydrophobicContact CB-CB 4.4Å; R181-W242 HydrophobicContact CB-CD2 3.86Å; R181-W242 HydrophobicContact CB-CE3 3.67Å; R181-W242 HydrophobicContact CB-CG 4.33Å; R181-W242 HydrophobicContact CB-CZ3 4.17Å; R181-W242 HydrophobicContact CG-CE3 4.36Å; R181-W242 HydrophobicContact CG-CZ3 4.38Å
182P96.1Very high97.9Very high102 Ų10267.1 Ų67.166%0.66236%0.36SS*.SBendtrans-68.3-30.3-177.827.4-34.7000112.9M180 I189M180-P182 WeakPolarHBondContact O-CD 3.27Å; P182-I189 HydrophobicContact CG-CD1 3.89Å; P182-I189 HydrophobicContact CG-CG1 4.3Å
183D96.2Very high97.9Very high55 Ų5563.9 Ų63.929%0.29434%0.339SS..SBendtrans-110.9111.8175.6-174.9-17.5000109.1R181 T185 K186R181-D183 VanDerWaalsContact C-N 3.31Å; R181-D183 PolarHBondContact O-N 3.49Å; D183-T185 PolarHBondContact O-N 2.94Å; D183-T185 WeakPolarHBondContact OD1-CB 3.42Å; D183-T185 PolarHBondContact OD1-N 2.68Å; D183-T185 PolarHBondContact OD1-OG1 3.29Å; D183-K186 HydrophobicContact CB-CB 4.21Å; D183-K186 HydrophobicContact CB-CD 4.25Å; D183-K186 HydrophobicContact CB-CG 4.34Å; D183-K186 PolarHBondContact O-N 3.44Å; D183-K186 VanDerWaalsContact O-N 3.16Å; D183-K186 WeakPolarHBondContact OD2-CD 3.45Å; D183-K186 WeakPolarHBondContact OD2-CE 3.27Å; D183-K186 IonicContact OD2-NZ 3.16Å; D183-K186 PolarHBondContact OD2-NZ 2.94Å; D183-K186 VanDerWaalsContact OD2-NZ 3.16Å
184Q94.6Very high97.9Very high129 Ų12970.6 Ų70.660%0.60337%0.368SS*.THydrogen-bonded Turntrans-65.3-18.4-178.3-65.2-61.1-35.800112.6R181R181-Q184 PolarHBondContact NH2-O 3.2Å; R181-Q184 PolarHBondContact O-NE2 2.95Å
185T97.4Very high97.9Very high122 Ų12269.4 Ų69.475%0.74836%0.363SS*.THydrogen-bonded Turntrans-88.3-6.5179.171.20000113.6D183D183-T185 PolarHBondContact O-N 2.94Å; D183-T185 WeakPolarHBondContact OD1-CB 3.42Å; D183-T185 PolarHBondContact OD1-N 2.68Å; D183-T185 PolarHBondContact OD1-OG1 3.29Å
186K98.2Very high97.9Very high124 Ų12468.3 Ų68.354%0.53936%0.359SS..SBendtrans-119.3163-177.2-66.4-179.7-172155.90112.2R181 D183R181-K186 PolarHBondContact NE-O 3Å; R181-K186 VanDerWaalsContact NE-O 3.09Å; D183-K186 HydrophobicContact CB-CB 4.21Å; D183-K186 HydrophobicContact CB-CD 4.25Å; D183-K186 HydrophobicContact CB-CG 4.34Å; D183-K186 PolarHBondContact O-N 3.44Å; D183-K186 VanDerWaalsContact O-N 3.16Å; D183-K186 WeakPolarHBondContact OD2-CD 3.45Å; D183-K186 WeakPolarHBondContact OD2-CE 3.27Å; D183-K186 IonicContact OD2-NZ 3.16Å; D183-K186 PolarHBondContact OD2-NZ 2.94Å; D183-K186 VanDerWaalsContact OD2-NZ 3.16Å
187P98.3Very high97.9Very high104 Ų10467.6 Ų67.668%0.67535%0.354SS*.  trans-57.2154.7168.2-24.235000112.4
188P98.3Very high97.9Very high53 Ų5365.9 Ų65.934%0.34434%0.342SS..  trans-63.4155.7173.729.1-35.4000111.3M180 R181 W242M180-P188 CarbonylContact O-C 3.59Å; M180-P188 WeakPolarHBondContact O-CA 3.09Å; M180-P188 WeakPolarHBondContact O-CB 3.42Å; R181-P188 HydrophobicContact CB-CB 4.4Å; P188-W242 HydrophobicContact CB-CZ2 4.18Å; P188-W242 HydrophobicContact CG-CZ2 4.03Å
189I98.1Very high97.9Very high92 Ų9266.1 Ų66.147%0.47234%0.342SS..EExtended strand (participates in β ladder)trans-114.3156.3176.262.6171.6000109.9Q179 M180 P182Q179-I189 CarbonylContact C-O 3.45Å; Q179-I189 WeakPolarHBondContact CA-O 3.3Å; M180-I189 PolarHBondContact N-O 3.32Å; M180-I189 PolarHBondContact O-N 3.37Å; P182-I189 HydrophobicContact CG-CD1 3.89Å; P182-I189 HydrophobicContact CG-CG1 4.3Å
190F98.1Very high98Very high130 Ų13060.9 Ų60.957%0.5732%0.317SS*.EExtended strand (participates in β ladder)trans-108.3134.7171-177.2-95.3000110.4C177 G178 Q179 H418C177-F190 HydrophobicContact CB-CE1 4.12Å; C177-F190 HydrophobicContact CB-CZ 3.82Å; G178-F190 WeakPolarHBondContact O-CA 3.45Å; G178-F190 WeakPolarHBondContact O-CD2 3.07Å; Q179-F190 HydrophobicContact CG-CD2 4.39Å; F190-H418 AromaticContact CE1-CD2 3.85Å
191G97.9Very high98Very high13 Ų1360.5 Ų60.513%0.13432%0.316CS..EExtended strand (participates in β ladder)trans168.8-172.5176.300000113.6C177 G178C177-G191 CarbonylContact C-O 3.54Å; C177-G191 VanDerWaalsContact CA-O 3.26Å; C177-G191 WeakPolarHBondContact CA-O 3.36Å; G178-G191 PolarHBondContact N-O 2.89Å; G178-G191 PolarHBondContact O-N 3.26Å
192P98.3Very high98.1Very high46 Ų4656.8 Ų56.830%0.29930%0.302SS..EExtended strand (participates in β ladder)trans-68.6135.2-178.927.4-34.8000111.5R175 K194 A415R175-P192 HydrophobicContact CG-CB 4.49Å; P192-K194 WeakPolarHBondContact O-CE 3.46Å; P192-K194 PolarHBondContact O-N 3.49Å; P192-A415 HydrophobicContact CB-CB 3.69Å
193S98.4Very high98.2Very high1 Ų152 Ų521%0.00727%0.27CS..  trans-53137.1176.1171.90000111.5R175 P176 Q195 D238R175-S193 WeakPolarHBondContact CD-O 3.33Å; R175-S193 PolarHBondContact NH1-O 3.2Å; P176-S193 PolarHBondContact O-N 3.24Å; S193-Q195 PolarHBondContact OG-N 3.34Å; S193-D238 WeakPolarHBondContact CA-OD2 3.2Å; S193-D238 WeakPolarHBondContact CB-OD1 2.96Å; S193-D238 PolarHBondContact OG-OD1 2.95Å
194K98.2Very high98.3Very high148 Ų14849.4 Ų49.464%0.64326%0.257SS*.SBendtrans-100.7-12.1176.8-55-56178.6-175.50112.7P192 D238P192-K194 WeakPolarHBondContact O-CE 3.46Å; P192-K194 PolarHBondContact O-N 3.49Å; K194-D238 PolarHBondContact N-OD2 3.07Å
195Q98.4Very high98.5Very high62 Ų6243.2 Ų43.229%0.2923%0.228SC..  trans-127.160.4-177.8-60.8-174.9-16.600110.2S193 R237 D238 F383S193-Q195 PolarHBondContact OG-N 3.34Å; Q195-R237 HydrophobicContact CB-CB 3.81Å; Q195-R237 HydrophobicContact CB-CG 4.39Å; Q195-R237 WeakPolarHBondContact O-CG 3.03Å; Q195-R237 PolarHBondContact O-N 3.47Å; Q195-D238 HydrophobicContact CB-CB 4.23Å; Q195-D238 HydrophobicContact CG-CB 4.3Å; Q195-F383 HydrophobicContact CB-CD1 4.06Å; Q195-F383 HydrophobicContact CB-CD2 4.14Å; Q195-F383 HydrophobicContact CB-CE1 4.03Å; Q195-F383 HydrophobicContact CB-CE2 4.1Å; Q195-F383 HydrophobicContact CB-CG 4.12Å; Q195-F383 HydrophobicContact CB-CZ 4.04Å; Q195-F383 HydrophobicContact CG-CD2 3.99Å; Q195-F383 HydrophobicContact CG-CE2 3.82Å; Q195-F383 HydrophobicContact CG-CG 4.46Å; Q195-F383 HydrophobicContact CG-CZ 4.15Å
196L98.9Very high98.6Very high0 Ų037.4 Ų37.40%019%0.192CC..EExtended strand (participates in β ladder)trans-80.7132.5175.9-173.167.3000109.9R175 P176 S235 F255 F383 L384 I412R175-L196 HydrophobicContact CB-CD2 4.31Å; R175-L196 HydrophobicContact CG-CD2 4.44Å; P176-L196 HydrophobicContact CG-CD1 4.49Å; L196-S235 CarbonylContact C-O 3.6Å; L196-S235 WeakPolarHBondContact CA-O 3.22Å; L196-F255 HydrophobicContact CD1-CE2 3.8Å; L196-F255 HydrophobicContact CD1-CZ 3.52Å; L196-F383 WeakPolarHBondContact O-CB 3.31Å; L196-L384 HydrophobicContact CB-CB 4.29Å; L196-L384 HydrophobicContact CD2-CB 4.32Å; L196-L384 HydrophobicContact CD2-CD1 4.39Å; L196-L384 HydrophobicContact CG-CB 4.32Å; L196-L384 HydrophobicContact CG-CD1 4.09Å; L196-L384 WeakPolarHBondContact O-CB 3.36Å; L196-L384 PolarHBondContact O-N 2.71Å; L196-I412 HydrophobicContact CD2-CB 4.45Å; L196-I412 HydrophobicContact CD2-CD1 3.85Å; L196-I412 HydrophobicContact CD2-CG1 4.02Å; L196-I412 HydrophobicContact CD2-CG2 3.56Å
197D98.9Very high98.6Very high0 Ų031.5 Ų31.50%017%0.167CC..EExtended strand (participates in β ladder)trans-140.8163.7-165.4-161.58.7000111.8S235 R237 M362 L363 F383D197-S235 PolarHBondContact N-O 3.22Å; D197-S235 PolarHBondContact O-N 2.97Å; D197-R237 HydrophobicContact CB-CG 3.98Å; D197-R237 IonicContact OD2-CZ 2.77Å; D197-R237 IonicContact OD2-NE 2.66Å; D197-R237 PolarHBondContact OD2-NE 3.45Å; D197-R237 IonicContact OD2-NH2 3.74Å; D197-R237 PolarHBondContact OD2-NH2 2.87Å; D197-M362 VanDerWaalsContact OD1-CA 3.27Å; D197-M362 WeakPolarHBondContact OD1-CA 3.39Å; D197-M362 WeakPolarHBondContact OD1-CB 3.41Å; D197-M362 WeakPolarHBondContact OD1-CG 3.19Å; D197-M362 PolarHBondContact OD1-N 2.78Å; D197-L363 WeakPolarHBondContact OD2-CB 3.15Å; D197-L363 PolarHBondContact OD2-N 2.96Å; D197-F383 HydrophobicContact CB-CD1 4.16Å; D197-F383 HydrophobicContact CB-CE1 4.4Å
198I98.9Very high98.4Very high1 Ų126.9 Ų26.91%0.00514%0.138CC..  trans-102.6159.5169.364.4115.6000110.3N232 W234 V301 G360 S361 M362 L384 I390I198-N232 WeakPolarHBondContact CA-OD1 3.49Å; I198-N232 WeakPolarHBondContact CB-OD1 3.41Å; I198-W234 HydrophobicContact CG2-CE3 4.06Å; I198-W234 HydrophobicContact CG2-CZ3 3.76Å; I198-V301 HydrophobicContact CD1-CG1 3.87Å; I198-V301 HydrophobicContact CD1-CG2 4.2Å; I198-G360 WeakPolarHBondContact CD1-O 3.11Å; I198-S361 WeakPolarHBondContact O-CA 3.32Å; I198-S361 VanDerWaalsContact O-CB 3.32Å; I198-S361 WeakPolarHBondContact O-CB 3.37Å; I198-M362 HydrophobicContact CG1-CG 4.03Å; I198-L384 HydrophobicContact CG2-CD1 3.84Å; I198-L384 HydrophobicContact CG2-CD2 4.37Å; I198-L384 HydrophobicContact CG2-CG 4.49Å; I198-I390 HydrophobicContact CG2-CB 4.25Å; I198-I390 HydrophobicContact CG2-CD1 4Å; I198-I390 HydrophobicContact CG2-CG1 3.64Å; I198-I390 HydrophobicContact CG2-CG2 3.95Å
199E98.9Very high97.9Very high9 Ų931.9 Ų31.94%0.04216%0.157CC..  trans-133.2112.4164.1-69.4-167.4-174.100108.6E201 N232 D233 S235 R237 K253 T350E199-E201 HydrophobicContact CB-CG 4.28Å; E199-E201 PolarHBondContact O-N 3.3Å; E199-N232 PolarHBondContact N-OD1 2.91Å; E199-N232 VanDerWaalsContact N-OD1 3.11Å; E199-N232 WeakPolarHBondContact O-CA 3.18Å; E199-N232 PolarHBondContact O-OD1 3.42Å; E199-D233 HydrophobicContact CB-CB 4.13Å; E199-D233 WeakPolarHBondContact CB-O 3.45Å; E199-D233 PolarHBondContact O-N 3.3Å; E199-S235 PolarHBondContact OE1-OG 2.63Å; E199-S235 VanDerWaalsContact OE1-OG 3.08Å; E199-R237 IonicContact OE1-CZ 3.32Å; E199-R237 IonicContact OE1-NH1 2.8Å; E199-R237 PolarHBondContact OE1-NH1 2.83Å; E199-R237 IonicContact OE1-NH2 2.99Å; E199-R237 PolarHBondContact OE1-NH2 3.04Å; E199-K253 IonicContact OE1-NZ 3.42Å; E199-K253 PolarHBondContact OE1-NZ 3.22Å; E199-K253 IonicContact OE2-NZ 3.94Å; E199-K253 PolarHBondContact OE2-NZ 2.97Å; E199-T350 HydrophobicContact CB-CG2 4.48Å; E199-T350 VanDerWaalsContact CB-OG1 3.27Å; E199-T350 WeakPolarHBondContact CB-OG1 3.45Å; E199-T350 WeakPolarHBondContact CG-OG1 3.47Å; E199-T350 PolarHBondContact OE2-OG1 2.91Å
200L98.9Very high97.7Very high0 Ų028.8 Ų28.80%014%0.143CC..EExtended strand (participates in β ladder)trans-68.4112.4174.4169.261.2000109.1L299 V301 T350 I351 G360 I392L200-L299 HydrophobicContact CD1-CB 4.27Å; L200-L299 HydrophobicContact CD1-CD1 4.45Å; L200-L299 HydrophobicContact CD2-CB 4.04Å; L200-L299 HydrophobicContact CD2-CD1 4.46Å; L200-V301 HydrophobicContact CB-CG2 3.98Å; L200-V301 HydrophobicContact CD1-CG2 3.99Å; L200-V301 HydrophobicContact CD2-CG2 4.04Å; L200-V301 HydrophobicContact CG-CG2 4.21Å; L200-T350 CarbonylContact O-C 3.55Å; L200-T350 WeakPolarHBondContact O-CA 3.33Å; L200-I351 HydrophobicContact CG-CB 4.35Å; L200-I351 PolarHBondContact O-N 3.33Å; L200-G360 WeakPolarHBondContact CB-O 3.45Å; L200-G360 PolarHBondContact N-O 3.39Å; L200-I392 HydrophobicContact CD1-CD1 4.05Å; L200-I392 HydrophobicContact CD1-CG1 4.43Å; L200-I392 HydrophobicContact CD1-CG2 3.44Å; L200-I392 VanDerWaalsContact CD1-CG2 3.44Å
201E98.9Very high97.6Very high0 Ų028 Ų280%014%0.141CC..EExtended strand (participates in β ladder)trans-134.7164.5-179.3-63.1-150-16900112.8D126 E199 M231 A347 G349 T350D126-E201 VanDerWaalsContact OD1-OE2 3.05Å; E199-E201 HydrophobicContact CB-CG 4.28Å; E199-E201 PolarHBondContact O-N 3.3Å; E201-M231 HydrophobicContact CB-CB 3.91Å; E201-M231 HydrophobicContact CB-CG 4.21Å; E201-M231 PolarHBondContact N-O 3.31Å; E201-M231 PolarHBondContact O-N 2.88Å; E201-M231 VanDerWaalsContact O-O 3.1Å; E201-A347 WeakPolarHBondContact OE2-CB 3.22Å; E201-G349 VanDerWaalsContact OE1-CA 3.27Å; E201-G349 WeakPolarHBondContact OE1-CA 3.46Å; E201-G349 VanDerWaalsContact OE2-CA 3.26Å; E201-G349 WeakPolarHBondContact OE2-CA 3.2Å; E201-G349 PolarHBondContact OE2-N 3.34Å; E201-T350 PolarHBondContact OE1-N 3.32Å
202M99Very high97.6Very high1 Ų133.9 Ų33.91%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-125.2152159.5-63.1-165.576.200108.6M228 V229 L230 I297 L299 F319 S348 I351 F405M202-M228 HydrophobicContact CB-CE 3.76Å; M202-M228 HydrophobicContact CE-CB 4.3Å; M202-M228 HydrophobicContact CE-CE 4Å; M202-M228 HydrophobicContact SD-CE 4.09Å; M202-V229 WeakPolarHBondContact CA-O 2.92Å; M202-L230 HydrophobicContact CE-CD2 4.05Å; M202-L230 HydrophobicContact CG-CD2 4.25Å; M202-L230 HydrophobicContact SD-CD2 4.49Å; M202-I297 HydrophobicContact CE-CD1 3.86Å; M202-I297 HydrophobicContact CE-CG2 4.29Å; M202-I297 HydrophobicContact SD-CB 4.33Å; M202-I297 HydrophobicContact SD-CD1 3.72Å; M202-I297 HydrophobicContact SD-CG2 4.06Å; M202-L299 HydrophobicContact CG-CD1 4.23Å; M202-L299 HydrophobicContact CG-CD2 4.17Å; M202-L299 HydrophobicContact SD-CD1 4.23Å; M202-L299 HydrophobicContact SD-CD2 3.93Å; M202-F319 HydrophobicContact CB-CD2 4.1Å; M202-F319 HydrophobicContact CB-CE2 3.99Å; M202-F319 HydrophobicContact CG-CD2 4.11Å; M202-F319 HydrophobicContact SD-CB 4Å; M202-F319 HydrophobicContact SD-CD2 3.93Å; M202-F319 HydrophobicContact SD-CG 3.93Å; M202-S348 PolarHBondContact N-OG 3.32Å; M202-S348 VanDerWaalsContact O-CB 3.28Å; M202-S348 WeakPolarHBondContact O-CB 3.47Å; M202-S348 PolarHBondContact O-N 2.9Å; M202-S348 PolarHBondContact O-OG 2.93Å; M202-I351 HydrophobicContact CB-CD1 4.27Å; M202-I351 HydrophobicContact CG-CD1 3.89Å; M202-F405 HydrophobicContact CE-CD1 3.91Å; M202-F405 HydrophobicContact CE-CD2 4.34Å; M202-F405 HydrophobicContact CE-CE1 3.36Å; M202-F405 HydrophobicContact CE-CE2 3.87Å; M202-F405 HydrophobicContact CE-CG 4.37Å; M202-F405 HydrophobicContact CE-CZ 3.34Å
203A99Very high97.6Very high1 Ų134.2 Ų34.21%0.00818%0.181CC..EExtended strand (participates in β ladder)trans-134.6151.6177.700000110.7M228 V229 M231 L345 L346 A347A203-M228 CarbonylContact O-C 3.58Å; A203-M228 VanDerWaalsContact O-CA 3.23Å; A203-M228 WeakPolarHBondContact O-CA 3.45Å; A203-V229 HydrophobicContact CB-CG2 4.11Å; A203-V229 PolarHBondContact N-O 3.2Å; A203-V229 PolarHBondContact O-N 2.96Å; A203-M231 HydrophobicContact CB-CB 4.43Å; A203-M231 HydrophobicContact CB-SD 3.78Å; A203-L345 HydrophobicContact CB-CD1 3.6Å; A203-L345 HydrophobicContact CB-CD2 4.25Å; A203-L345 HydrophobicContact CB-CG 3.83Å; A203-L346 CarbonylContact C-O 3.58Å; A203-L346 VanDerWaalsContact CA-O 3.27Å; A203-L346 WeakPolarHBondContact CA-O 3.35Å; A203-A347 HydrophobicContact CB-CB 3.89Å
204F98.9Very high97.6Very high1 Ų139.5 Ų39.50%0.00421%0.205CC..EExtended strand (participates in β ladder)trans-116.1143.517568-90.9000111.6V206 I225 G227 M228 M326 L330 L346F204-V206 HydrophobicContact CE2-CG2 4.28Å; F204-I225 HydrophobicContact CB-CG2 3.9Å; F204-I225 HydrophobicContact CD2-CB 4.35Å; F204-I225 HydrophobicContact CD2-CG1 3.98Å; F204-I225 HydrophobicContact CD2-CG2 3.77Å; F204-I225 HydrophobicContact CE2-CD1 4.46Å; F204-I225 HydrophobicContact CE2-CG1 3.92Å; F204-I225 HydrophobicContact CG-CG2 3.99Å; F204-G227 CarbonylContact C-O 3.5Å; F204-G227 VanDerWaalsContact CA-O 3.25Å; F204-G227 WeakPolarHBondContact CA-O 3.44Å; F204-M228 HydrophobicContact CB-CG 4.13Å; F204-M326 HydrophobicContact CB-SD 3.88Å; F204-M326 HydrophobicContact CD1-CB 3.97Å; F204-M326 HydrophobicContact CD1-CG 3.61Å; F204-M326 HydrophobicContact CD1-SD 3.56Å; F204-M326 VanDerWaalsContact CD1-SD 3.56Å; F204-M326 HydrophobicContact CE1-CB 3.77Å; F204-M326 HydrophobicContact CE1-CG 3.78Å; F204-M326 HydrophobicContact CE1-SD 4.33Å; F204-M326 HydrophobicContact CG-CG 4.45Å; F204-M326 HydrophobicContact CG-SD 3.94Å; F204-M326 HydrophobicContact CZ-CB 4.3Å; F204-L330 HydrophobicContact CE2-CB 4.4Å; F204-L330 HydrophobicContact CZ-CB 4.16Å; F204-L346 HydrophobicContact CD1-CB 4.04Å; F204-L346 VanDerWaalsContact CD1-O 3.31Å; F204-L346 WeakPolarHBondContact CD1-O 3.43Å; F204-L346 HydrophobicContact CD2-CB 4.32Å; F204-L346 HydrophobicContact CE1-CB 3.5Å; F204-L346 HydrophobicContact CE1-CD2 4.24Å; F204-L346 HydrophobicContact CE2-CB 3.83Å; F204-L346 HydrophobicContact CE2-CD2 3.75Å; F204-L346 HydrophobicContact CE2-CG 4.33Å; F204-L346 HydrophobicContact CG-CB 4.44Å; F204-L346 HydrophobicContact CZ-CB 3.41Å; F204-L346 VanDerWaalsContact CZ-CB 3.41Å; F204-L346 HydrophobicContact CZ-CD2 3.36Å; F204-L346 HydrophobicContact CZ-CG 4.02Å; F204-L346 PolarHBondContact N-O 2.94Å; F204-L346 PolarHBondContact O-N 3.1Å
205F98.9Very high97.6Very high0 Ų035.8 Ų35.80%020%0.196CC..EExtended strand (participates in β ladder)trans-85.4134.6172.4-80.3-76.8000110.7M71 P118 A119 V121 F226 G227 V229 I259 V263 G343 D344 L345M71-F205 HydrophobicContact CE-CB 3.63Å; M71-F205 HydrophobicContact CE-CD1 3.92Å; M71-F205 HydrophobicContact CE-CD2 3.99Å; M71-F205 HydrophobicContact CE-CG 3.56Å; M71-F205 HydrophobicContact SD-CB 4.12Å; M71-F205 HydrophobicContact SD-CD1 4.25Å; M71-F205 HydrophobicContact SD-CG 4.31Å; P118-F205 HydrophobicContact CG-CE2 3.73Å; P118-F205 HydrophobicContact CG-CZ 3.69Å; A119-F205 HydrophobicContact CB-CD1 4.19Å; A119-F205 HydrophobicContact CB-CE1 3.73Å; A119-F205 HydrophobicContact CB-CZ 4.32Å; V121-F205 HydrophobicContact CG2-CE1 3.96Å; F205-F226 HydrophobicContact CB-CB 4.41Å; F205-F226 HydrophobicContact CB-CD1 4.49Å; F205-F226 PolarHBondContact O-N 2.76Å; F205-G227 PolarHBondContact N-O 3.09Å; F205-V229 HydrophobicContact CD2-CG1 4.4Å; F205-V229 HydrophobicContact CE2-CG1 3.91Å; F205-V229 HydrophobicContact CE2-CG2 4.2Å; F205-I259 HydrophobicContact CZ-CD1 4.07Å; F205-V263 HydrophobicContact CD2-CG1 3.9Å; F205-V263 HydrophobicContact CD2-CG2 3.85Å; F205-V263 HydrophobicContact CE2-CG2 3.78Å; F205-G343 WeakPolarHBondContact CD1-O 3.44Å; F205-D344 WeakPolarHBondContact CA-O 3.21Å; F205-L345 HydrophobicContact CD1-CD1 4.04Å; F205-L345 HydrophobicContact CD2-CD1 4.04Å; F205-L345 HydrophobicContact CE1-CB 4.4Å; F205-L345 HydrophobicContact CE1-CD1 3.86Å; F205-L345 HydrophobicContact CE2-CD1 3.85Å; F205-L345 HydrophobicContact CG-CD1 4.14Å; F205-L345 HydrophobicContact CZ-CD1 3.76Å
206V98.8Very high97.6Very high0 Ų033.2 Ų33.20%018%0.184CC..EExtended strand (participates in β ladder)trans-77.7139.3171.1-179.90000109.8F204 H224 L330 V340 P342 G343 D344 L346F204-V206 HydrophobicContact CE2-CG2 4.28Å; V206-H224 CarbonylContact C-O 3.57Å; V206-H224 WeakPolarHBondContact CA-O 3.22Å; V206-L330 HydrophobicContact CG2-CD1 4.28Å; V206-V340 HydrophobicContact CG1-CB 3.95Å; V206-V340 HydrophobicContact CG1-CG2 3.68Å; V206-V340 HydrophobicContact CG2-CB 4.44Å; V206-P342 WeakPolarHBondContact O-CA 3.33Å; V206-G343 PolarHBondContact O-N 3.47Å; V206-D344 HydrophobicContact CB-CB 4.22Å; V206-D344 HydrophobicContact CG2-CB 4.14Å; V206-D344 PolarHBondContact N-O 3.19Å; V206-L346 HydrophobicContact CG2-CD1 3.8Å
207G97.8Very high97.6Very high0 Ų036.4 Ų36.40%021%0.205CC..  trans-131.6179.6169.700000112.2M71 H224M71-G207 CarbonylContact O-C 3.56Å; M71-G207 WeakPolarHBondContact O-CA 3.45Å; G207-H224 PolarHBondContact N-O 3.1Å; G207-H224 WeakPolarHBondContact O-CA 3.18Å; G207-H224 PolarHBondContact O-ND1 3.42Å; G207-H224 VanDerWaalsContact O-ND1 3.16Å
208G94.9Very high97.6Very high7 Ų737.4 Ų37.47%0.07221%0.21CC..SBendtrans68.5174.2-17500000113.1M71 P342M71-G208 PolarHBondContact O-N 2.9Å; G208-P342 WeakPolarHBondContact O-CG 3.35Å
209E87.2Confident97.6Very high158 Ų15842.4 Ų42.474%0.73824%0.237SC*.  trans-85.9144.8-180-60.8-174.5163.200111.5H224E209-H224 PolarHBondContact O-CE1 3.38Å
210S93.3Very high97.5Very high27 Ų2746.1 Ų46.119%0.18925%0.253CS..  trans-141.1142.6169.7164.80000108.7V340S210-V340 WeakPolarHBondContact CB-O 3.45Å; S210-V340 PolarHBondContact OG-N 3.28Å
211Q96.9Very high97.5Very high113 Ų11346.1 Ų46.153%0.52825%0.253SS..  trans-110.2144.3-178.5-59.4-170.119.600111.1G213 E214Q211-G213 PolarHBondContact O-N 2.95Å; Q211-E214 HydrophobicContact CB-CB 4.27Å; Q211-E214 HydrophobicContact CB-CG 4.09Å; Q211-E214 PolarHBondContact O-N 3.33Å; Q211-E214 VanDerWaalsContact O-N 3.1Å
212L98.3Very high97.4Very high137 Ų13748.9 Ų48.972%0.71727%0.266SS*.THydrogen-bonded Turntrans-64.4129.1175.4-178.672.7000109.5G337 N339L212-G337 WeakPolarHBondContact CD1-O 3.39Å; L212-N339 HydrophobicContact CB-CB 4.17Å; L212-N339 WeakPolarHBondContact CD1-OD1 3.37Å
213G98.4Very high97.4Very high53 Ų5351.8 Ų51.855%0.54628%0.279SS..THydrogen-bonded Turntrans91.6-4.3-175.700000114.3Q211 P215 G337Q211-G213 PolarHBondContact O-N 2.95Å; G213-P215 WeakPolarHBondContact O-CD 3.19Å; G213-G337 PolarHBondContact N-O 3.08Å
214E98.2Very high97.3Very high111 Ų11153.1 Ų53.152%0.51929%0.286SS..  trans-114.2101.3-177.9-61.4-168.7169.800111.5Q211Q211-E214 HydrophobicContact CB-CB 4.27Å; Q211-E214 HydrophobicContact CB-CG 4.09Å; Q211-E214 PolarHBondContact O-N 3.33Å; Q211-E214 VanDerWaalsContact O-N 3.1Å
215P98.3Very high97.3Very high70 Ų7053.2 Ų53.246%0.45529%0.286SS..  trans-63146.3177-24.234.7000113.3G213 P217 T334G213-P215 WeakPolarHBondContact O-CD 3.19Å; P215-P217 VanDerWaalsContact O-CD 3.29Å; P215-P217 WeakPolarHBondContact O-CD 3.23Å; P215-T334 WeakPolarHBondContact CA-O 3.31Å; P215-T334 WeakPolarHBondContact CB-O 3.39Å
216I98.6Very high97.3Very high8 Ų853.3 Ų53.34%0.04129%0.286CS..  trans-86.4110.1171.2-59.9174.4000108.6K220 A221 H224 L330 T331 T334 V340I216-K220 HydrophobicContact CG2-CB 4.42Å; I216-A221 HydrophobicContact CG2-CB 4.4Å; I216-H224 HydrophobicContact CD1-CB 4.29Å; I216-L330 HydrophobicContact CD1-CD1 4.35Å; I216-L330 HydrophobicContact CD1-CD2 4.33Å; I216-L330 HydrophobicContact CD1-CG 4.31Å; I216-T331 PolarHBondContact O-OG1 3.5Å; I216-T331 VanDerWaalsContact O-OG1 3.11Å; I216-T334 HydrophobicContact CD1-CG2 3.96Å; I216-T334 HydrophobicContact CG1-CG2 4.14Å; I216-T334 PolarHBondContact N-OG1 2.78Å; I216-T334 VanDerWaalsContact N-OG1 3.07Å; I216-V340 HydrophobicContact CD1-CG2 3.73Å
217P98.4Very high97.3Very high68 Ų6853.3 Ų53.344%0.44229%0.286SS..  trans-67.8149.1179.329.9-34.2000110.5P215 N219 K220 A221P215-P217 VanDerWaalsContact O-CD 3.29Å; P215-P217 WeakPolarHBondContact O-CD 3.23Å; P217-N219 WeakPolarHBondContact CB-OD1 3.48Å; P217-N219 WeakPolarHBondContact CG-OD1 3.39Å; P217-N219 PolarHBondContact O-N 3.17Å; P217-N219 VanDerWaalsContact O-N 3.13Å; P217-K220 HydrophobicContact CG-CB 3.96Å; P217-K220 HydrophobicContact CG-CG 3.91Å; P217-K220 WeakPolarHBondContact O-CA 3.4Å; P217-K220 PolarHBondContact O-N 2.82Å; P217-A221 PolarHBondContact O-N 3.22Å; P217-A221 VanDerWaalsContact O-N 3.14Å
218I98.8Very high97.4Very high20 Ų2053.4 Ų53.410%0.10329%0.287CS..THydrogen-bonded Turntrans-60.3-29.9-171-163.8163.5000114.6K220 A221 L287 Q288 H289 K327 Q328 T331I218-K220 PolarHBondContact O-N 2.99Å; I218-A221 PolarHBondContact O-N 2.79Å; I218-L287 VanDerWaalsContact CD1-O 3.31Å; I218-L287 WeakPolarHBondContact CD1-O 3.45Å; I218-Q288 WeakPolarHBondContact CG2-O 3.44Å; I218-H289 HydrophobicContact CD1-CB 3.88Å; I218-H289 HydrophobicContact CG1-CB 4.02Å; I218-K327 HydrophobicContact CG1-CB 4.18Å; I218-K327 WeakPolarHBondContact O-CE 3.4Å; I218-K327 PolarHBondContact O-NZ 3.14Å; I218-Q328 HydrophobicContact CD1-CG 3.97Å; I218-T331 WeakPolarHBondContact CA-OG1 3.35Å; I218-T331 HydrophobicContact CB-CG2 4.12Å; I218-T331 PolarHBondContact N-OG1 2.89Å
219N98.1Very high97.6Very high107 Ų10753 Ų5357%0.57228%0.283SS*.THydrogen-bonded Turntrans-68.8-19.9174.664.3-21.1000113P217 H222P217-N219 WeakPolarHBondContact CB-OD1 3.48Å; P217-N219 WeakPolarHBondContact CG-OD1 3.39Å; P217-N219 PolarHBondContact O-N 3.17Å; P217-N219 VanDerWaalsContact O-N 3.13Å; N219-H222 PolarHBondContact O-CE1 2.64Å; N219-H222 PolarHBondContact O-ND1 2.89Å
220K97.9Very high98.2Very high87 Ų8745.5 Ų45.538%0.37825%0.248SC..THydrogen-bonded Turntrans-102.3-13.1178.1-68.8-66.3-170.7171.80114.3I216 P217 I218 H222 E223 H224I216-K220 HydrophobicContact CG2-CB 4.42Å; P217-K220 HydrophobicContact CG-CB 3.96Å; P217-K220 HydrophobicContact CG-CG 3.91Å; P217-K220 WeakPolarHBondContact O-CA 3.4Å; P217-K220 PolarHBondContact O-N 2.82Å; I218-K220 PolarHBondContact O-N 2.99Å; K220-H222 PolarHBondContact O-N 3.43Å; K220-E223 VanDerWaalsContact CD-CD 3.49Å; K220-E223 VanDerWaalsContact CD-OE1 3.29Å; K220-E223 WeakPolarHBondContact CD-OE1 3.42Å; K220-E223 VanDerWaalsContact CD-OE2 3.28Å; K220-E223 WeakPolarHBondContact CD-OE2 3.45Å; K220-E223 IonicContact NZ-OE1 2.67Å; K220-E223 PolarHBondContact NZ-OE1 3.05Å; K220-E223 IonicContact NZ-OE2 2.91Å; K220-E223 PolarHBondContact NZ-OE2 3.16Å; K220-E223 WeakPolarHBondContact O-CB 3.33Å; K220-E223 PolarHBondContact O-N 2.78Å; K220-H224 PolarHBondContact O-CD2 2.76Å
221A98.4Very high98.4Very high0 Ų044.2 Ų44.20%024%0.239CC..G310 helixtrans-51.6-36.6-17800000114.1I216 P217 I218 E223 H224 I225 K327 L330I216-A221 HydrophobicContact CG2-CB 4.4Å; P217-A221 PolarHBondContact O-N 3.22Å; P217-A221 VanDerWaalsContact O-N 3.14Å; I218-A221 PolarHBondContact O-N 2.79Å; A221-E223 PolarHBondContact O-N 3.11Å; A221-H224 PolarHBondContact O-N 3.4Å; A221-H224 VanDerWaalsContact O-N 3.1Å; A221-I225 WeakPolarHBondContact O-CG1 3.49Å; A221-K327 HydrophobicContact CB-CB 3.99Å; A221-K327 HydrophobicContact CB-CG 4.04Å; A221-L330 HydrophobicContact CB-CD2 4.39Å
222H97.6Very high98.5Very high58 Ų5838.9 Ų38.927%0.26921%0.214SC..G310 helixtrans-63.5-25.7178.872.2-76.2000114.2N219 K220 H224 Y293N219-H222 PolarHBondContact O-CE1 2.64Å; N219-H222 PolarHBondContact O-ND1 2.89Å; K220-H222 PolarHBondContact O-N 3.43Å; H222-H224 PolarHBondContact O-N 2.72Å; H222-Y293 HydrophobicContact CB-CE2 4.04Å
223E97.8Very high98.6Very high61 Ų6132.4 Ų32.429%0.28518%0.18SC..G310 helixtrans-74.7-11.6177.6-61173.6-164.500112W78 K220 A221W78-E223 WeakPolarHBondContact CH2-O 3.43Å; K220-E223 VanDerWaalsContact CD-CD 3.49Å; K220-E223 VanDerWaalsContact CD-OE1 3.29Å; K220-E223 WeakPolarHBondContact CD-OE1 3.42Å; K220-E223 VanDerWaalsContact CD-OE2 3.28Å; K220-E223 WeakPolarHBondContact CD-OE2 3.45Å; K220-E223 IonicContact NZ-OE1 2.67Å; K220-E223 PolarHBondContact NZ-OE1 3.05Å; K220-E223 IonicContact NZ-OE2 2.91Å; K220-E223 PolarHBondContact NZ-OE2 3.16Å; K220-E223 WeakPolarHBondContact O-CB 3.33Å; K220-E223 PolarHBondContact O-N 2.78Å; A221-E223 PolarHBondContact O-N 3.11Å
224H98.8Very high98.6Very high30 Ų3029.9 Ų29.914%0.13915%0.154CC..G310 helixtrans-110.72.1-178.4-67-84.1000113.8V206 G207 E209 I216 K220 A221 H222 L330V206-H224 CarbonylContact C-O 3.57Å; V206-H224 WeakPolarHBondContact CA-O 3.22Å; G207-H224 PolarHBondContact N-O 3.1Å; G207-H224 WeakPolarHBondContact O-CA 3.18Å; G207-H224 PolarHBondContact O-ND1 3.42Å; G207-H224 VanDerWaalsContact O-ND1 3.16Å; E209-H224 PolarHBondContact O-CE1 3.38Å; I216-H224 HydrophobicContact CD1-CB 4.29Å; K220-H224 PolarHBondContact O-CD2 2.76Å; A221-H224 PolarHBondContact O-N 3.4Å; A221-H224 VanDerWaalsContact O-N 3.1Å; H222-H224 PolarHBondContact O-N 2.72Å; H224-L330 HydrophobicContact CB-CD2 3.66Å
225I98.8Very high98.6Very high2 Ų224.6 Ų24.61%0.0113%0.13CC..EExtended strand (participates in β ladder)trans-105.5102.2179.5-59.6168.7000107.5F204 A221 M266 Y293 M326 K327 L330F204-I225 HydrophobicContact CB-CG2 3.9Å; F204-I225 HydrophobicContact CD2-CB 4.35Å; F204-I225 HydrophobicContact CD2-CG1 3.98Å; F204-I225 HydrophobicContact CD2-CG2 3.77Å; F204-I225 HydrophobicContact CE2-CD1 4.46Å; F204-I225 HydrophobicContact CE2-CG1 3.92Å; F204-I225 HydrophobicContact CG-CG2 3.99Å; A221-I225 WeakPolarHBondContact O-CG1 3.49Å; I225-M266 HydrophobicContact CB-CG 4.21Å; I225-M266 HydrophobicContact CG2-CG 3.59Å; I225-M266 HydrophobicContact CG2-SD 3.73Å; I225-M266 WeakPolarHBondContact O-CG 3.31Å; I225-Y293 HydrophobicContact CD1-CE1 3.79Å; I225-M326 HydrophobicContact CD1-CB 3.9Å; I225-K327 HydrophobicContact CD1-CG 4.48Å; I225-L330 HydrophobicContact CG1-CD2 3.99Å
226F98.9Very high98.6Very high3 Ų321.3 Ų21.31%0.01311%0.108CC..EExtended strand (participates in β ladder)trans-71.1-50.8-174.1174.7-100.3000111.9Y19 L67 F70 M71 W78 F205 V263 P265 M266Y19-F226 HydrophobicContact CD2-CE1 4.07Å; Y19-F226 AromaticContact CD2-CZ 3.63Å; Y19-F226 HydrophobicContact CD2-CZ 3.63Å; Y19-F226 HydrophobicContact CE2-CZ 4.08Å; Y19-F226 HydrophobicContact CG-CZ 4.18Å; L67-F226 HydrophobicContact CD1-CE1 4.44Å; F70-F226 AromaticContact CD1-CE2 3.68Å; F70-F226 HydrophobicContact CD1-CE2 3.68Å; F70-F226 AromaticContact CD1-CZ 3.68Å; F70-F226 HydrophobicContact CD1-CZ 3.68Å; F70-F226 AromaticContact CE1-CE2 3.53Å; F70-F226 HydrophobicContact CE1-CE2 3.53Å; F70-F226 AromaticContact CE1-CZ 3.61Å; F70-F226 HydrophobicContact CE1-CZ 3.61Å; F70-F226 HydrophobicContact CZ-CE2 4.37Å; M71-F226 HydrophobicContact CE-CD1 3.57Å; M71-F226 HydrophobicContact CE-CE1 3.75Å; M71-F226 HydrophobicContact CE-CG 4.33Å; M71-F226 HydrophobicContact CG-CB 4.31Å; M71-F226 HydrophobicContact CG-CD1 3.91Å; M71-F226 HydrophobicContact CG-CD2 3.9Å; M71-F226 HydrophobicContact CG-CE1 4.15Å; M71-F226 HydrophobicContact CG-CE2 4.15Å; M71-F226 HydrophobicContact CG-CG 3.77Å; M71-F226 HydrophobicContact CG-CZ 4.27Å; M71-F226 HydrophobicContact SD-CD1 4.48Å; W78-F226 AromaticContact CD1-CD2 3.93Å; W78-F226 AromaticContact CD1-CE2 3.77Å; W78-F226 AromaticContact CD2-CD2 3.57Å; W78-F226 HydrophobicContact CD2-CD2 3.57Å; W78-F226 HydrophobicContact CD2-CE2 4.11Å; W78-F226 AromaticContact CE2-CD2 3.54Å; W78-F226 HydrophobicContact CE3-CD2 4.02Å; W78-F226 AromaticContact CG-CD2 3.9Å; W78-F226 HydrophobicContact CG-CD2 3.9Å; W78-F226 AromaticContact CG-CE2 3.92Å; W78-F226 HydrophobicContact CG-CE2 3.92Å; W78-F226 HydrophobicContact CH2-CB 4.21Å; W78-F226 HydrophobicContact CH2-CD2 4.44Å; W78-F226 HydrophobicContact CZ2-CB 4.42Å; W78-F226 HydrophobicContact CZ2-CD2 4.02Å; W78-F226 HydrophobicContact CZ3-CB 4.31Å; W78-F226 HydrophobicContact CZ3-CD2 4.43Å; W78-F226 AromaticContact NE1-CD2 3.72Å; W78-F226 AromaticContact NE1-CE2 3.91Å; F205-F226 HydrophobicContact CB-CB 4.41Å; F205-F226 HydrophobicContact CB-CD1 4.49Å; F205-F226 PolarHBondContact O-N 2.76Å; F226-V263 HydrophobicContact CD1-CG1 3.65Å; F226-V263 HydrophobicContact CE1-CB 4.25Å; F226-V263 HydrophobicContact CE1-CG1 3.7Å; F226-P265 WeakPolarHBondContact O-CA 3.36Å; F226-M266 PolarHBondContact O-N 2.85Å; F226-M266 VanDerWaalsContact O-N 3.13Å
227G98.9Very high98.6Very high0 Ų021.8 Ų21.80%011%0.109CC..EExtended strand (participates in β ladder)trans177.1176-175.100000112.3F204 F205 V264F204-G227 CarbonylContact C-O 3.5Å; F204-G227 VanDerWaalsContact CA-O 3.25Å; F204-G227 WeakPolarHBondContact CA-O 3.44Å; F205-G227 PolarHBondContact N-O 3.09Å; G227-V264 CarbonylContact C-O 3.56Å; G227-V264 WeakPolarHBondContact CA-O 3.32Å
228M99Very high98.6Very high1 Ų119.6 Ų19.61%0.0059%0.094CC..EExtended strand (participates in β ladder)trans-118.8154.7-170.1-63.6-174.877.800113.2M202 A203 F204 V264 M266 L269 I297 F319 M326 F405M202-M228 HydrophobicContact CB-CE 3.76Å; M202-M228 HydrophobicContact CE-CB 4.3Å; M202-M228 HydrophobicContact CE-CE 4Å; M202-M228 HydrophobicContact SD-CE 4.09Å; A203-M228 CarbonylContact O-C 3.58Å; A203-M228 VanDerWaalsContact O-CA 3.23Å; A203-M228 WeakPolarHBondContact O-CA 3.45Å; F204-M228 HydrophobicContact CB-CG 4.13Å; M228-V264 PolarHBondContact N-O 2.97Å; M228-V264 PolarHBondContact O-N 2.92Å; M228-M266 HydrophobicContact CG-SD 3.74Å; M228-M266 HydrophobicContact SD-CE 4.48Å; M228-M266 HydrophobicContact SD-SD 4.19Å; M228-L269 HydrophobicContact CB-CD1 4.09Å; M228-L269 HydrophobicContact CG-CD1 3.93Å; M228-L269 HydrophobicContact SD-CD1 3.64Å; M228-I297 HydrophobicContact SD-CD1 4.3Å; M228-F319 HydrophobicContact CE-CD1 4.25Å; M228-F319 HydrophobicContact CE-CE1 3.67Å; M228-F319 HydrophobicContact CE-CE2 4.12Å; M228-F319 HydrophobicContact CE-CZ 3.59Å; M228-F319 HydrophobicContact SD-CE1 4.42Å; M228-M326 HydrophobicContact CE-CE 4.14Å; M228-M326 HydrophobicContact CE-SD 3.61Å; M228-M326 HydrophobicContact CG-CE 4.43Å; M228-M326 HydrophobicContact CG-SD 4.11Å; M228-M326 HydrophobicContact SD-CE 3.58Å; M228-M326 VanDerWaalsContact SD-CE 3.58Å; M228-M326 HydrophobicContact SD-SD 3.69Å; M228-M326 VanDerWaalsContact SD-SD 3.69Å; M228-F405 HydrophobicContact CB-CE1 3.79Å; M228-F405 HydrophobicContact CB-CZ 4.34Å; M228-F405 WeakPolarHBondContact O-CE1 3.29Å
229V99Very high98.6Very high0 Ų018.8 Ų18.80%09%0.09CC..EExtended strand (participates in β ladder)trans-131.9158.3170.8-66.50000110.2M202 A203 F205 I259 S260 V263 L345M202-V229 WeakPolarHBondContact CA-O 2.92Å; A203-V229 HydrophobicContact CB-CG2 4.11Å; A203-V229 PolarHBondContact N-O 3.2Å; A203-V229 PolarHBondContact O-N 2.96Å; F205-V229 HydrophobicContact CD2-CG1 4.4Å; F205-V229 HydrophobicContact CE2-CG1 3.91Å; F205-V229 HydrophobicContact CE2-CG2 4.2Å; V229-I259 HydrophobicContact CG2-CB 4.13Å; V229-I259 HydrophobicContact CG2-CG2 4.23Å; V229-S260 WeakPolarHBondContact CB-OG 3.39Å; V229-S260 WeakPolarHBondContact CG1-O 3.17Å; V229-V263 HydrophobicContact CG1-CB 4.35Å; V229-V263 HydrophobicContact CG1-CG2 3.88Å; V229-L345 HydrophobicContact CG2-CD1 4.23Å
230L99Very high98.6Very high0 Ų015.2 Ų15.20%07%0.07CC..EExtended strand (participates in β ladder)trans-75.8150.2163.5-59170.9000109.4M202 I259 S260 L299 I392 F405 C408M202-L230 HydrophobicContact CE-CD2 4.05Å; M202-L230 HydrophobicContact CG-CD2 4.25Å; M202-L230 HydrophobicContact SD-CD2 4.49Å; L230-I259 CarbonylContact O-C 3.59Å; L230-I259 VanDerWaalsContact O-CA 3.28Å; L230-I259 WeakPolarHBondContact O-CA 3.2Å; L230-S260 PolarHBondContact N-OG 2.9Å; L230-S260 PolarHBondContact O-N 2.87Å; L230-L299 HydrophobicContact CD2-CD2 3.51Å; L230-I392 HydrophobicContact CB-CG2 4.31Å; L230-I392 HydrophobicContact CD1-CG2 4.23Å; L230-I392 HydrophobicContact CD2-CG2 4.27Å; L230-F405 HydrophobicContact CD1-CB 3.66Å; L230-F405 HydrophobicContact CD2-CB 4.23Å; L230-F405 HydrophobicContact CD2-CG 4.32Å; L230-F405 HydrophobicContact CG-CB 3.6Å; L230-F405 HydrophobicContact CG-CD1 4.42Å; L230-F405 HydrophobicContact CG-CG 4.1Å; L230-C408 HydrophobicContact CB-CB 3.74Å; L230-C408 HydrophobicContact CD1-CB 4.47Å
231M98.9Very high98.6Very high0 Ų013.4 Ų13.40%07%0.071CC..EExtended strand (participates in β ladder)trans-142.9143.2-178.4-179.8157.5152.100112Y124 E201 A203 D233 T257 T258 I259 L345 A347 I392Y124-M231 HydrophobicContact CD2-CE 4.48Å; Y124-M231 HydrophobicContact CE1-CE 4.06Å; Y124-M231 HydrophobicContact CE2-CE 3.48Å; Y124-M231 VanDerWaalsContact CE2-CE 3.48Å; Y124-M231 HydrophobicContact CE2-SD 4.46Å; Y124-M231 WeakPolarHBondContact OH-CE 3.35Å; E201-M231 HydrophobicContact CB-CB 3.91Å; E201-M231 HydrophobicContact CB-CG 4.21Å; E201-M231 PolarHBondContact N-O 3.31Å; E201-M231 PolarHBondContact O-N 2.88Å; E201-M231 VanDerWaalsContact O-O 3.1Å; A203-M231 HydrophobicContact CB-CB 4.43Å; A203-M231 HydrophobicContact CB-SD 3.78Å; M231-D233 HydrophobicContact CE-CB 4.19Å; M231-T257 HydrophobicContact CE-CG2 3.19Å; M231-T257 HydrophobicContact CG-CG2 4.08Å; M231-T257 HydrophobicContact SD-CG2 4.04Å; M231-T258 CarbonylContact C-O 3.59Å; M231-T258 VanDerWaalsContact CA-O 3.28Å; M231-T258 WeakPolarHBondContact CA-O 3.39Å; M231-I259 HydrophobicContact CB-CG2 4.16Å; M231-I259 HydrophobicContact CG-CG2 4Å; M231-I259 HydrophobicContact SD-CG2 3.94Å; M231-L345 HydrophobicContact SD-CD2 4.22Å; M231-A347 HydrophobicContact CE-CB 3.58Å; M231-A347 HydrophobicContact SD-CB 3.67Å; M231-I392 WeakPolarHBondContact O-CD1 3.48Å
232N98.9Very high98.6Very high1 Ų117.9 Ų17.91%0.0059%0.088CC..EExtended strand (participates in β ladder)trans-121.3108.5168.2-172-1000109.1I198 E199 W234 T258 I392I198-N232 WeakPolarHBondContact CA-OD1 3.49Å; I198-N232 WeakPolarHBondContact CB-OD1 3.41Å; E199-N232 PolarHBondContact N-OD1 2.91Å; E199-N232 VanDerWaalsContact N-OD1 3.11Å; E199-N232 WeakPolarHBondContact O-CA 3.18Å; E199-N232 PolarHBondContact O-OD1 3.42Å; N232-W234 VanDerWaalsContact ND2-CH2 3.27Å; N232-W234 WeakPolarHBondContact ND2-CH2 3.47Å; N232-W234 WeakPolarHBondContact ND2-CZ2 3.34Å; N232-W234 WeakPolarHBondContact ND2-CZ3 3.27Å; N232-W234 PolarHBondContact O-N 2.87Å; N232-T258 PolarHBondContact N-O 2.93Å; N232-T258 PolarHBondContact O-N 3.36Å; N232-I392 HydrophobicContact CB-CD1 3.66Å
233D98.9Very high98.6Very high1 Ų117.3 Ų17.31%0.0059%0.085CC..EExtended strand (participates in β ladder)trans-89.585175.6-168.339.3000111.2Y159 E199 M231 S235 K253 T257Y159-D233 PolarHBondContact OH-OD2 3.45Å; E199-D233 HydrophobicContact CB-CB 4.13Å; E199-D233 WeakPolarHBondContact CB-O 3.45Å; E199-D233 PolarHBondContact O-N 3.3Å; M231-D233 HydrophobicContact CE-CB 4.19Å; D233-S235 PolarHBondContact O-N 3.03Å; D233-S235 PolarHBondContact O-OG 3.32Å; D233-K253 VanDerWaalsContact OD2-CD 3.29Å; D233-K253 WeakPolarHBondContact OD2-CD 3.3Å; D233-K253 WeakPolarHBondContact OD2-CE 3.4Å; D233-K253 IonicContact OD2-NZ 2.77Å; D233-K253 PolarHBondContact OD2-NZ 3.47Å; D233-T257 HydrophobicContact CB-CG2 4.39Å; D233-T257 PolarHBondContact OD1-OG1 2.8Å
234W98.9Very high98.6Very high0 Ų018.6 Ų18.60%09%0.088CC..  trans-57.8133.4-174.7-55.492.5000110.9I173 I198 N232 F255 G256 T258 L384 I390 I412I173-W234 HydrophobicContact CG1-CD2 4.28Å; I173-W234 HydrophobicContact CG1-CG 4.39Å; I173-W234 HydrophobicContact CG1-CZ2 4.13Å; I173-W234 HydrophobicContact CG2-CG 4.42Å; I198-W234 HydrophobicContact CG2-CE3 4.06Å; I198-W234 HydrophobicContact CG2-CZ3 3.76Å; N232-W234 VanDerWaalsContact ND2-CH2 3.27Å; N232-W234 WeakPolarHBondContact ND2-CH2 3.47Å; N232-W234 WeakPolarHBondContact ND2-CZ2 3.34Å; N232-W234 WeakPolarHBondContact ND2-CZ3 3.27Å; N232-W234 PolarHBondContact O-N 2.87Å; W234-F255 VanDerWaalsContact C-CZ 3.42Å; W234-F255 HydrophobicContact CB-CE1 4.46Å; W234-F255 HydrophobicContact CB-CE2 3.69Å; W234-F255 HydrophobicContact CB-CZ 3.53Å; W234-F255 VanDerWaalsContact O-CE1 3.23Å; W234-F255 WeakPolarHBondContact O-CE1 3.42Å; W234-F255 WeakPolarHBondContact O-CZ 3.39Å; W234-G256 WeakPolarHBondContact CB-O 3.39Å; W234-G256 VanDerWaalsContact CD1-O 3.22Å; W234-T258 PolarHBondContact NE1-OG1 3.17Å; W234-L384 HydrophobicContact CE3-CD1 3.93Å; W234-L384 HydrophobicContact CZ3-CD1 3.66Å; W234-I390 HydrophobicContact CH2-CB 3.76Å; W234-I390 HydrophobicContact CH2-CG1 3.97Å; W234-I390 HydrophobicContact CZ3-CB 4.22Å; W234-I390 HydrophobicContact CZ3-CG1 3.96Å; W234-I412 HydrophobicContact CE3-CD1 3.87Å; W234-I412 HydrophobicContact CH2-CD1 3.99Å; W234-I412 HydrophobicContact CZ3-CD1 3.51Å; W234-I412 HydrophobicContact CZ3-CG1 4.35Å
235S98.9Very high98.5Very high0 Ų022 Ų220%011%0.111CC..EExtended strand (participates in β ladder)trans-131.3128.7-167.4-660000112.3L196 D197 E199 D233 R237 G252 K253L196-S235 CarbonylContact C-O 3.6Å; L196-S235 WeakPolarHBondContact CA-O 3.22Å; D197-S235 PolarHBondContact N-O 3.22Å; D197-S235 PolarHBondContact O-N 2.97Å; E199-S235 PolarHBondContact OE1-OG 2.63Å; E199-S235 VanDerWaalsContact OE1-OG 3.08Å; D233-S235 PolarHBondContact O-N 3.03Å; D233-S235 PolarHBondContact O-OG 3.32Å; S235-R237 VanDerWaalsContact CB-CZ 3.5Å; S235-G252 CarbonylContact C-O 3.57Å; S235-G252 WeakPolarHBondContact CA-O 3.47Å; S235-K253 WeakPolarHBondContact OG-CD 3.28Å; S235-K253 WeakPolarHBondContact OG-CE 3.34Å; S235-K253 PolarHBondContact OG-NZ 3.38Å
236A98.8Very high98.4Very high0 Ų027.5 Ų27.50%015%0.147CC..EExtended strand (participates in β ladder)trans-100.388.8170.700000109.6P176 D238 I239 Q240 G252 F255P176-A236 HydrophobicContact CG-CB 3.7Å; A236-D238 VanDerWaalsContact C-N 3.27Å; A236-D238 PolarHBondContact O-N 3.49Å; A236-I239 HydrophobicContact CB-CB 4.18Å; A236-I239 HydrophobicContact CB-CD1 3.85Å; A236-I239 HydrophobicContact CB-CG1 4.23Å; A236-I239 PolarHBondContact O-N 2.86Å; A236-I239 VanDerWaalsContact O-N 3.16Å; A236-Q240 WeakPolarHBondContact O-CB 3.26Å; A236-Q240 PolarHBondContact O-N 3.16Å; A236-G252 PolarHBondContact N-O 3.41Å; A236-F255 HydrophobicContact CB-CE1 4.07Å
237R98.6Very high98.4Very high19 Ų1935.2 Ų35.27%0.07219%0.187CC..Hα-helixtrans-60.8-33-167.3-56.3-59.3-173.1-170-3114.1Q195 D197 E199 S235 A241 F383Q195-R237 HydrophobicContact CB-CB 3.81Å; Q195-R237 HydrophobicContact CB-CG 4.39Å; Q195-R237 WeakPolarHBondContact O-CG 3.03Å; Q195-R237 PolarHBondContact O-N 3.47Å; D197-R237 HydrophobicContact CB-CG 3.98Å; D197-R237 IonicContact OD2-CZ 2.77Å; D197-R237 IonicContact OD2-NE 2.66Å; D197-R237 PolarHBondContact OD2-NE 3.45Å; D197-R237 IonicContact OD2-NH2 3.74Å; D197-R237 PolarHBondContact OD2-NH2 2.87Å; E199-R237 IonicContact OE1-CZ 3.32Å; E199-R237 IonicContact OE1-NH1 2.8Å; E199-R237 PolarHBondContact OE1-NH1 2.83Å; E199-R237 IonicContact OE1-NH2 2.99Å; E199-R237 PolarHBondContact OE1-NH2 3.04Å; S235-R237 VanDerWaalsContact CB-CZ 3.5Å; R237-A241 WeakPolarHBondContact O-CB 3.42Å; R237-A241 PolarHBondContact O-N 3.03Å; R237-F383 HydrophobicContact CG-CE1 3.96Å
238D98.3Very high98.3Very high22 Ų2236.3 Ų36.312%0.11820%0.198CC..Hα-helixtrans-75.8-34.8-179.853.9-16.1000113M180 S193 K194 Q195 A236M180-D238 HydrophobicContact CB-CB 4.4Å; M180-D238 HydrophobicContact CG-CB 3.93Å; S193-D238 WeakPolarHBondContact CA-OD2 3.2Å; S193-D238 WeakPolarHBondContact CB-OD1 2.96Å; S193-D238 PolarHBondContact OG-OD1 2.95Å; K194-D238 PolarHBondContact N-OD2 3.07Å; Q195-D238 HydrophobicContact CB-CB 4.23Å; Q195-D238 HydrophobicContact CG-CB 4.3Å; A236-D238 VanDerWaalsContact C-N 3.27Å; A236-D238 PolarHBondContact O-N 3.49Å
239I98.8Very high98.3Very high3 Ų337.7 Ų37.72%0.01521%0.207CC..Hα-helixtrans-68.7-51.6169.1-63172.1000109P176 M180 A236 A241 W242 E243 L251P176-I239 HydrophobicContact CB-CD1 4.33Å; P176-I239 HydrophobicContact CG-CD1 4.24Å; M180-I239 HydrophobicContact CG-CG1 3.76Å; M180-I239 HydrophobicContact SD-CG1 3.86Å; A236-I239 HydrophobicContact CB-CB 4.18Å; A236-I239 HydrophobicContact CB-CD1 3.85Å; A236-I239 HydrophobicContact CB-CG1 4.23Å; A236-I239 PolarHBondContact O-N 2.86Å; A236-I239 VanDerWaalsContact O-N 3.16Å; I239-A241 VanDerWaalsContact C-N 3.34Å; I239-A241 PolarHBondContact O-N 3.09Å; I239-W242 PolarHBondContact O-N 3.34Å; I239-W242 VanDerWaalsContact O-N 3.07Å; I239-E243 WeakPolarHBondContact O-CG 3.1Å; I239-E243 PolarHBondContact O-N 3.19Å; I239-E243 VanDerWaalsContact O-N 3.14Å; I239-L251 HydrophobicContact CG2-CB 4.05Å
240Q98.4Very high98.3Very high32 Ų3243.8 Ų43.815%0.1523%0.234CC..Hα-helixtrans-53.8-49-179.4-170.3-176.68.400111.7A236 W242 E243 Y244 P249A236-Q240 WeakPolarHBondContact O-CB 3.26Å; A236-Q240 PolarHBondContact O-N 3.16Å; Q240-W242 PolarHBondContact O-N 2.92Å; Q240-E243 PolarHBondContact O-N 3.03Å; Q240-Y244 WeakPolarHBondContact O-CB 3.37Å; Q240-Y244 VanDerWaalsContact O-CD1 3.29Å; Q240-Y244 WeakPolarHBondContact O-CD1 3.3Å; Q240-Y244 PolarHBondContact O-N 2.85Å; Q240-P249 HydrophobicContact CG-CB 4.35Å
241A97Very high98.3Very high49 Ų4947.6 Ų47.641%0.40525%0.254SS..Hα-helixtrans-61.5-27.9-178.100000113.5R237 I239R237-A241 WeakPolarHBondContact O-CB 3.42Å; R237-A241 PolarHBondContact O-N 3.03Å; I239-A241 VanDerWaalsContact C-N 3.34Å; I239-A241 PolarHBondContact O-N 3.09Å
242W98Very high98.3Very high93 Ų9347.6 Ų47.635%0.35225%0.254SS..Hα-helixtrans-82.5-36.7178.1176.4-122.3000112.7R181 P188 I239 Q240R181-W242 HydrophobicContact CB-CD2 3.86Å; R181-W242 HydrophobicContact CB-CE3 3.67Å; R181-W242 HydrophobicContact CB-CG 4.33Å; R181-W242 HydrophobicContact CB-CZ3 4.17Å; R181-W242 HydrophobicContact CG-CE3 4.36Å; R181-W242 HydrophobicContact CG-CZ3 4.38Å; P188-W242 HydrophobicContact CB-CZ2 4.18Å; P188-W242 HydrophobicContact CG-CZ2 4.03Å; I239-W242 PolarHBondContact O-N 3.34Å; I239-W242 VanDerWaalsContact O-N 3.07Å; Q240-W242 PolarHBondContact O-N 2.92Å
243E98.4Very high98.3Very high47 Ų4748.1 Ų48.122%0.2226%0.256CS..Hα-helixtrans-91.8-27.9-171.971.4179.2-175.700114.8I239 Q240 V245 F250 L251 G252I239-E243 WeakPolarHBondContact O-CG 3.1Å; I239-E243 PolarHBondContact O-N 3.19Å; I239-E243 VanDerWaalsContact O-N 3.14Å; Q240-E243 PolarHBondContact O-N 3.03Å; E243-V245 VanDerWaalsContact C-N 3.27Å; E243-V245 PolarHBondContact O-N 3.04Å; E243-V245 VanDerWaalsContact O-N 3.15Å; E243-F250 VanDerWaalsContact OE1-C 3.23Å; E243-F250 WeakPolarHBondContact OE1-CA 3.3Å; E243-F250 PolarHBondContact OE1-N 2.77Å; E243-L251 VanDerWaalsContact CD-N 3.28Å; E243-L251 PolarHBondContact OE1-N 3.31Å; E243-L251 WeakPolarHBondContact OE2-CB 3.38Å; E243-L251 PolarHBondContact OE2-N 3.06Å; E243-G252 PolarHBondContact OE1-N 2.83Å
244Y97.3Very high98.2Very high88 Ų8850 Ų5035%0.34527%0.266SS..  trans-73.6-15.8-157.486.5-79000114.9Q240 P246 L247 G248Q240-Y244 WeakPolarHBondContact O-CB 3.37Å; Q240-Y244 VanDerWaalsContact O-CD1 3.29Å; Q240-Y244 WeakPolarHBondContact O-CD1 3.3Å; Q240-Y244 PolarHBondContact O-N 2.85Å; Y244-P246 CarbonylContact O-C 3.6Å; Y244-L247 PolarHBondContact O-N 3.17Å; Y244-L247 VanDerWaalsContact O-N 3.11Å; Y244-G248 VanDerWaalsContact CA-O 3.31Å; Y244-G248 WeakPolarHBondContact CA-O 3.46Å; Y244-G248 WeakPolarHBondContact O-CA 3.44Å; Y244-G248 PolarHBondContact O-N 3.25Å
245V96.7Very high98.2Very high100 Ų10052.2 Ų52.261%0.60628%0.276SS*.THydrogen-bonded Turntrans-93.9123.2178.8179.90000109.2E243E243-V245 VanDerWaalsContact C-N 3.27Å; E243-V245 PolarHBondContact O-N 3.04Å; E243-V245 VanDerWaalsContact O-N 3.15Å
246P97.4Very high98.2Very high118 Ų11852.3 Ų52.377%0.76628%0.277SS*.THydrogen-bonded Turncis-1011.44.937.9-35.2000115.2Y244Y244-P246 CarbonylContact O-C 3.6Å
247L98.3Very high98.2Very high165 Ų16552.4 Ų52.486%0.86428%0.278SS*.THydrogen-bonded Turntrans-94.7-2.1-161.4-58.1-179.4000115.5Y244Y244-L247 PolarHBondContact O-N 3.17Å; Y244-L247 VanDerWaalsContact O-N 3.11Å
248G97.5Very high98.2Very high23 Ų2351.5 Ų51.524%0.23727%0.274CS..  trans92.2176.9-177.500000113.9Y244Y244-G248 VanDerWaalsContact CA-O 3.31Å; Y244-G248 WeakPolarHBondContact CA-O 3.46Å; Y244-G248 WeakPolarHBondContact O-CA 3.44Å; Y244-G248 PolarHBondContact O-N 3.25Å
249P98.2Very high98.3Very high30 Ų3050.5 Ų50.520%0.19527%0.269CS..  trans-60.5141.8-179.6-19.932.7000112.4Y159 Q240 K253Y159-P249 HydrophobicContact CE1-CG 4.28Å; Y159-P249 HydrophobicContact CE2-CB 4.07Å; Y159-P249 HydrophobicContact CE2-CG 4.23Å; Q240-P249 HydrophobicContact CG-CB 4.35Å; P249-K253 HydrophobicContact CB-CG 3.68Å
250F98.8Very high98.3Very high128 Ų12850.3 Ų50.356%0.56127%0.268SS*.  trans-141.4-93.2178.9-171.4-123.7000112.9E243 G252 K253 N254E243-F250 VanDerWaalsContact OE1-C 3.23Å; E243-F250 WeakPolarHBondContact OE1-CA 3.3Å; E243-F250 PolarHBondContact OE1-N 2.77Å; F250-G252 PolarHBondContact O-N 3.32Å; F250-K253 PolarHBondContact O-N 3.14Å; F250-N254 PolarHBondContact O-N 2.98Å
251L98.8Very high98.3Very high80 Ų8049.3 Ų49.342%0.41926%0.264SS..THydrogen-bonded Turntrans-68.3-20.9180-55.8175.1000112.6I239 E243 K253 N254I239-L251 HydrophobicContact CG2-CB 4.05Å; E243-L251 VanDerWaalsContact CD-N 3.28Å; E243-L251 PolarHBondContact OE1-N 3.31Å; E243-L251 WeakPolarHBondContact OE2-CB 3.38Å; E243-L251 PolarHBondContact OE2-N 3.06Å; L251-K253 PolarHBondContact O-N 3.05Å; L251-N254 WeakPolarHBondContact CA-OD1 3.38Å
252G98.8Very high98.4Very high0 Ų047.5 Ų47.50%025%0.247CC..THydrogen-bonded Turntrans-63.8-11.1170.500000113.9S235 A236 E243 F250 F255S235-G252 CarbonylContact C-O 3.57Å; S235-G252 WeakPolarHBondContact CA-O 3.47Å; A236-G252 PolarHBondContact N-O 3.41Å; E243-G252 PolarHBondContact OE1-N 2.83Å; F250-G252 PolarHBondContact O-N 3.32Å; G252-F255 WeakPolarHBondContact O-CE1 3.33Å
253K98.8Very high98.4Very high12 Ų1243 Ų435%0.05223%0.23CC..THydrogen-bonded Turntrans-127.7-44.1-176.5-60.6-60.7-152.71460113.4Y159 E199 D233 S235 P249 F250 L251 F255 G256Y159-K253 WeakPolarHBondContact OH-CE 3.41Å; E199-K253 IonicContact OE1-NZ 3.42Å; E199-K253 PolarHBondContact OE1-NZ 3.22Å; E199-K253 IonicContact OE2-NZ 3.94Å; E199-K253 PolarHBondContact OE2-NZ 2.97Å; D233-K253 VanDerWaalsContact OD2-CD 3.29Å; D233-K253 WeakPolarHBondContact OD2-CD 3.3Å; D233-K253 WeakPolarHBondContact OD2-CE 3.4Å; D233-K253 IonicContact OD2-NZ 2.77Å; D233-K253 PolarHBondContact OD2-NZ 3.47Å; S235-K253 WeakPolarHBondContact OG-CD 3.28Å; S235-K253 WeakPolarHBondContact OG-CE 3.34Å; S235-K253 PolarHBondContact OG-NZ 3.38Å; P249-K253 HydrophobicContact CB-CG 3.68Å; F250-K253 PolarHBondContact O-N 3.14Å; L251-K253 PolarHBondContact O-N 3.05Å; K253-F255 PolarHBondContact O-N 3.36Å; K253-G256 PolarHBondContact O-N 3.28Å
254N98.4Very high98.5Very high40 Ų4040.8 Ų40.821%0.21422%0.22CC..THydrogen-bonded Turntrans-72.57.9-165.975.67.4000116.7R162 S165 F250 L251R162-N254 HydrophobicContact CB-CB 3.59Å; R162-N254 HydrophobicContact CG-CB 3.93Å; S165-N254 WeakPolarHBondContact CB-O 3.35Å; S165-N254 PolarHBondContact OG-O 2.85Å; F250-N254 PolarHBondContact O-N 2.98Å; L251-N254 WeakPolarHBondContact CA-OD1 3.38Å
255F98.8Very high98.6Very high48 Ų4837 Ų3721%0.21121%0.206CC..THydrogen-bonded Turntrans-82.5-15.9177.768-86000112.7I173 P176 L196 W234 A236 G252 K253I173-F255 HydrophobicContact CG2-CD2 3.85Å; I173-F255 HydrophobicContact CG2-CE2 3.68Å; P176-F255 HydrophobicContact CB-CB 4.04Å; P176-F255 HydrophobicContact CB-CD1 4.25Å; P176-F255 HydrophobicContact CB-CD2 4.28Å; P176-F255 HydrophobicContact CB-CG 3.93Å; P176-F255 HydrophobicContact CG-CB 4.47Å; P176-F255 HydrophobicContact CG-CD1 3.86Å; P176-F255 HydrophobicContact CG-CD2 3.95Å; P176-F255 HydrophobicContact CG-CE1 4.03Å; P176-F255 HydrophobicContact CG-CE2 4.1Å; P176-F255 HydrophobicContact CG-CG 3.82Å; P176-F255 HydrophobicContact CG-CZ 4.14Å; L196-F255 HydrophobicContact CD1-CE2 3.8Å; L196-F255 HydrophobicContact CD1-CZ 3.52Å; W234-F255 VanDerWaalsContact C-CZ 3.42Å; W234-F255 HydrophobicContact CB-CE1 4.46Å; W234-F255 HydrophobicContact CB-CE2 3.69Å; W234-F255 HydrophobicContact CB-CZ 3.53Å; W234-F255 VanDerWaalsContact O-CE1 3.23Å; W234-F255 WeakPolarHBondContact O-CE1 3.42Å; W234-F255 WeakPolarHBondContact O-CZ 3.39Å; A236-F255 HydrophobicContact CB-CE1 4.07Å; G252-F255 WeakPolarHBondContact O-CE1 3.33Å; K253-F255 PolarHBondContact O-N 3.36Å
256G98.8Very high98.7Very high2 Ų232.9 Ų32.92%0.02118%0.18CC..  trans170137.9173.500000112.2W234 K253W234-G256 WeakPolarHBondContact CB-O 3.39Å; W234-G256 VanDerWaalsContact CD1-O 3.22Å; K253-G256 PolarHBondContact O-N 3.28Å
257T98.9Very high98.7Very high2 Ų229.5 Ų29.51%0.01215%0.154CC..EExtended strand (participates in β ladder)trans-137.6124.4174.6-57.90000107.3Y124 S165 L166 V167 M231 D233Y124-T257 HydrophobicContact CE1-CG2 4.27Å; S165-T257 PolarHBondContact O-N 2.93Å; L166-T257 CarbonylContact C-O 3.47Å; L166-T257 VanDerWaalsContact CA-O 3.32Å; L166-T257 WeakPolarHBondContact CA-O 3.33Å; L166-T257 HydrophobicContact CD2-CG2 3.54Å; V167-T257 PolarHBondContact N-O 2.98Å; M231-T257 HydrophobicContact CE-CG2 3.19Å; M231-T257 HydrophobicContact CG-CG2 4.08Å; M231-T257 HydrophobicContact SD-CG2 4.04Å; D233-T257 HydrophobicContact CB-CG2 4.39Å; D233-T257 PolarHBondContact OD1-OG1 2.8Å
258T99Very high98.7Very high0 Ų021.8 Ų21.80%011%0.114CC..EExtended strand (participates in β ladder)trans-104.7138.1-173.8-55.50000111.4V167 M231 N232 W234 C408V167-T258 WeakPolarHBondContact O-CA 3.5Å; M231-T258 CarbonylContact C-O 3.59Å; M231-T258 VanDerWaalsContact CA-O 3.28Å; M231-T258 WeakPolarHBondContact CA-O 3.39Å; N232-T258 PolarHBondContact N-O 2.93Å; N232-T258 PolarHBondContact O-N 3.36Å; W234-T258 PolarHBondContact NE1-OG1 3.17Å; T258-C408 PolarHBondContact O-SG 3.48Å; T258-C408 VanDerWaalsContact O-SG 3.34Å
259I98.9Very high98.8Very high0 Ų020.7 Ų20.70%010%0.102CC..EExtended strand (participates in β ladder)trans-122.7151.317262.9171.3000112.9L117 P118 L166 V167 S169 F205 V229 L230 M231 L345L117-I259 HydrophobicContact CD2-CD1 3.77Å; L117-I259 HydrophobicContact CD2-CG1 3.83Å; P118-I259 HydrophobicContact CG-CD1 4.24Å; L166-I259 HydrophobicContact CD2-CG2 4.27Å; V167-I259 PolarHBondContact O-N 3.49Å; S169-I259 PolarHBondContact N-O 2.9Å; F205-I259 HydrophobicContact CZ-CD1 4.07Å; V229-I259 HydrophobicContact CG2-CB 4.13Å; V229-I259 HydrophobicContact CG2-CG2 4.23Å; L230-I259 CarbonylContact O-C 3.59Å; L230-I259 VanDerWaalsContact O-CA 3.28Å; L230-I259 WeakPolarHBondContact O-CA 3.2Å; M231-I259 HydrophobicContact CB-CG2 4.16Å; M231-I259 HydrophobicContact CG-CG2 4Å; M231-I259 HydrophobicContact SD-CG2 3.94Å; I259-L345 HydrophobicContact CG2-CD2 4.03Å
260S98.9Very high98.8Very high0 Ų023 Ų230%011%0.113CC..  trans-68.1146.1169.2600000110.9V229 L230V229-S260 WeakPolarHBondContact CB-OG 3.39Å; V229-S260 WeakPolarHBondContact CG1-O 3.17Å; L230-S260 PolarHBondContact N-OG 2.9Å; L230-S260 PolarHBondContact O-N 2.87Å
261P98.9Very high98.8Very high10 Ų1021.2 Ų21.27%0.06511%0.114CC..SBendtrans-79.5-19.7-172.430.7-35.9000114.6M115 V168M115-P261 HydrophobicContact CB-CB 3.64Å; M115-P261 HydrophobicContact CB-CG 3.97Å; M115-P261 HydrophobicContact CE-CB 3.89Å; M115-P261 HydrophobicContact CE-CG 4.38Å; M115-P261 HydrophobicContact CG-CB 4.07Å; M115-P261 HydrophobicContact CG-CG 3.99Å; V168-P261 HydrophobicContact CG2-CB 3.85Å
262W98.9Very high98.8Very high11 Ų1118.5 Ų18.54%0.04210%0.099CC..  trans-95.7114.7-176.7-68.5117.6000110.6F12 P18 A35 I40 M115 V264F12-W262 HydrophobicContact CE1-CB 4.37Å; F12-W262 AromaticContact CE1-CD1 3.58Å; F12-W262 AromaticContact CE1-CG 3.93Å; F12-W262 HydrophobicContact CE1-CG 3.93Å; F12-W262 AromaticContact CZ-CD1 3.45Å; F12-W262 VanDerWaalsContact CZ-CD1 3.45Å; F12-W262 HydrophobicContact CZ-CG 4.24Å; F12-W262 AromaticContact CZ-NE1 3.63Å; P18-W262 HydrophobicContact CB-CB 3.97Å; P18-W262 HydrophobicContact CG-CB 4.01Å; P18-W262 HydrophobicContact CG-CD2 4.33Å; P18-W262 HydrophobicContact CG-CE3 4.2Å; P18-W262 HydrophobicContact CG-CG 4.27Å; A35-W262 HydrophobicContact CB-CD2 3.99Å; A35-W262 HydrophobicContact CB-CE3 4.03Å; A35-W262 HydrophobicContact CB-CH2 3.93Å; A35-W262 HydrophobicContact CB-CZ2 3.86Å; A35-W262 HydrophobicContact CB-CZ3 4.01Å; I40-W262 HydrophobicContact CD1-CH2 3.87Å; I40-W262 HydrophobicContact CD1-CZ2 3.85Å; I40-W262 HydrophobicContact CG1-CH2 3.86Å; I40-W262 HydrophobicContact CG1-CZ2 3.95Å; I40-W262 HydrophobicContact CG2-CH2 4Å; M115-W262 HydrophobicContact CE-CD2 4.01Å; M115-W262 HydrophobicContact CE-CE3 4.18Å; M115-W262 HydrophobicContact CE-CH2 3.6Å; M115-W262 HydrophobicContact CE-CZ2 3.4Å; M115-W262 VanDerWaalsContact CE-CZ2 3.4Å; M115-W262 HydrophobicContact CE-CZ3 3.99Å; M115-W262 HydrophobicContact SD-CH2 4.16Å; M115-W262 HydrophobicContact SD-CZ2 3.66Å; W262-V264 PolarHBondContact O-N 2.78Å
263V99Very high98.8Very high0 Ų020.1 Ų20.10%011%0.112CC..BIsolated β-bridgetrans-85.3105175.7-1710000108.8P18 Y19 L67 P118 F205 F226 V229 P265P18-V263 WeakPolarHBondContact CA-O 3.34Å; P18-V263 WeakPolarHBondContact CB-O 3.01Å; Y19-V263 PolarHBondContact N-O 3.32Å; Y19-V263 PolarHBondContact O-N 3.32Å; L67-V263 HydrophobicContact CD1-CB 4.45Å; L67-V263 HydrophobicContact CD1-CG2 4.01Å; P118-V263 HydrophobicContact CB-CG2 3.54Å; P118-V263 HydrophobicContact CG-CG2 3.71Å; F205-V263 HydrophobicContact CD2-CG1 3.9Å; F205-V263 HydrophobicContact CD2-CG2 3.85Å; F205-V263 HydrophobicContact CE2-CG2 3.78Å; F226-V263 HydrophobicContact CD1-CG1 3.65Å; F226-V263 HydrophobicContact CE1-CB 4.25Å; F226-V263 HydrophobicContact CE1-CG1 3.7Å; V229-V263 HydrophobicContact CG1-CB 4.35Å; V229-V263 HydrophobicContact CG1-CG2 3.88Å; V263-P265 WeakPolarHBondContact O-CD 3.21Å
264V99Very high98.7Very high0 Ų023 Ų230%013%0.126CC..EExtended strand (participates in β ladder)trans-76.7116.2177.61790000108.5P18 G227 M228 W262 A268 L269 V403 F405P18-V264 HydrophobicContact CB-CG2 4.07Å; G227-V264 CarbonylContact C-O 3.56Å; G227-V264 WeakPolarHBondContact CA-O 3.32Å; M228-V264 PolarHBondContact N-O 2.97Å; M228-V264 PolarHBondContact O-N 2.92Å; W262-V264 PolarHBondContact O-N 2.78Å; V264-A268 HydrophobicContact CG1-CB 3.95Å; V264-L269 HydrophobicContact CG1-CD1 4.26Å; V264-L269 HydrophobicContact CG1-CD2 3.77Å; V264-L269 HydrophobicContact CG1-CG 3.83Å; V264-V403 HydrophobicContact CG1-CG1 3.69Å; V264-F405 HydrophobicContact CB-CD1 4.09Å; V264-F405 HydrophobicContact CB-CE1 3.62Å; V264-F405 HydrophobicContact CB-CZ 3.97Å; V264-F405 HydrophobicContact CG1-CE1 4.44Å; V264-F405 HydrophobicContact CG1-CZ 4.3Å; V264-F405 HydrophobicContact CG2-CD1 3.48Å; V264-F405 VanDerWaalsContact CG2-CD1 3.48Å; V264-F405 HydrophobicContact CG2-CD2 4.28Å; V264-F405 HydrophobicContact CG2-CE1 3.54Å; V264-F405 HydrophobicContact CG2-CE2 4.33Å; V264-F405 HydrophobicContact CG2-CG 3.88Å; V264-F405 HydrophobicContact CG2-CZ 3.98Å
265P98.9Very high98.7Very high8 Ų826.2 Ų26.25%0.05215%0.151CC..EExtended strand (participates in β ladder)trans-66.1147.9-176.426.7-34.5000111.3Y19 F226 V263 E267 A268Y19-P265 HydrophobicContact CD2-CB 4.43Å; Y19-P265 HydrophobicContact CD2-CG 4.45Å; Y19-P265 HydrophobicContact CE2-CB 3.98Å; Y19-P265 HydrophobicContact CE2-CG 4.01Å; F226-P265 WeakPolarHBondContact O-CA 3.36Å; V263-P265 WeakPolarHBondContact O-CD 3.21Å; P265-E267 PolarHBondContact O-N 3.43Å; P265-E267 VanDerWaalsContact O-N 3.13Å; P265-A268 HydrophobicContact CG-CB 4.05Å; P265-A268 WeakPolarHBondContact O-CB 3.26Å; P265-A268 PolarHBondContact O-N 2.94Å
266M98.8Very high98.7Very high14 Ų1425.8 Ų25.87%0.06915%0.152CC..Hα-helixtrans-56.3-35.4-179-69.3-48.7-57.600112.9I225 F226 M228 A268 L269 L270 Y293 F295 M326I225-M266 HydrophobicContact CB-CG 4.21Å; I225-M266 HydrophobicContact CG2-CG 3.59Å; I225-M266 HydrophobicContact CG2-SD 3.73Å; I225-M266 WeakPolarHBondContact O-CG 3.31Å; F226-M266 PolarHBondContact O-N 2.85Å; F226-M266 VanDerWaalsContact O-N 3.13Å; M228-M266 HydrophobicContact CG-SD 3.74Å; M228-M266 HydrophobicContact SD-CE 4.48Å; M228-M266 HydrophobicContact SD-SD 4.19Å; M266-A268 PolarHBondContact O-N 2.96Å; M266-L269 HydrophobicContact CE-CB 4.49Å; M266-L269 HydrophobicContact CE-CD1 4.32Å; M266-L269 CarbonylContact O-C 3.59Å; M266-L269 WeakPolarHBondContact O-CA 3.41Å; M266-L269 WeakPolarHBondContact O-CB 3.41Å; M266-L269 PolarHBondContact O-N 2.92Å; M266-L269 HydrophobicContact SD-CD1 4.11Å; M266-L270 WeakPolarHBondContact O-CG 3.25Å; M266-L270 PolarHBondContact O-N 3.3Å; M266-Y293 HydrophobicContact CE-CE1 4.31Å; M266-F295 HydrophobicContact CE-CD2 4.45Å; M266-F295 HydrophobicContact CE-CE1 3.92Å; M266-F295 HydrophobicContact CE-CE2 3.61Å; M266-F295 HydrophobicContact CE-CZ 3.28Å; M266-M326 HydrophobicContact CE-CE 3.57Å; M266-M326 HydrophobicContact SD-CE 4.17Å
267E98.3Very high98.6Very high46 Ų4627.8 Ų27.822%0.21516%0.164CC..Hα-helixtrans-59.8-27.6175.3-72.3-167.1-16200114.4S79 R82 P265 L269S79-E267 WeakPolarHBondContact CA-OE1 3.48Å; S79-E267 WeakPolarHBondContact CB-OE1 3.43Å; S79-E267 PolarHBondContact OG-OE1 2.85Å; R82-E267 WeakPolarHBondContact CD-OE2 3.49Å; R82-E267 IonicContact NE-OE2 2.67Å; P265-E267 PolarHBondContact O-N 3.43Å; P265-E267 VanDerWaalsContact O-N 3.13Å; E267-L269 VanDerWaalsContact C-N 3.3Å
268A98.8Very high98.5Very high3 Ų335.4 Ų35.43%0.02520%0.204CC..Hα-helixtrans-75.9-22.5173.200000112.5N16 V264 P265 M266 F272 V403N16-A268 WeakPolarHBondContact O-CB 3.48Å; V264-A268 HydrophobicContact CG1-CB 3.95Å; P265-A268 HydrophobicContact CG-CB 4.05Å; P265-A268 WeakPolarHBondContact O-CB 3.26Å; P265-A268 PolarHBondContact O-N 2.94Å; M266-A268 PolarHBondContact O-N 2.96Å; A268-F272 WeakPolarHBondContact O-CE2 3.28Å; A268-V403 HydrophobicContact CB-CG1 4.16Å
269L98.9Very high98.5Very high0 Ų037 Ų370%021%0.211CC..Hα-helixtrans-93.7-24.9-178.2-60.8176.1000113M228 V264 M266 E267 P271 F272 F295 I297 V403 F405M228-L269 HydrophobicContact CB-CD1 4.09Å; M228-L269 HydrophobicContact CG-CD1 3.93Å; M228-L269 HydrophobicContact SD-CD1 3.64Å; V264-L269 HydrophobicContact CG1-CD1 4.26Å; V264-L269 HydrophobicContact CG1-CD2 3.77Å; V264-L269 HydrophobicContact CG1-CG 3.83Å; M266-L269 HydrophobicContact CE-CB 4.49Å; M266-L269 HydrophobicContact CE-CD1 4.32Å; M266-L269 CarbonylContact O-C 3.59Å; M266-L269 WeakPolarHBondContact O-CA 3.41Å; M266-L269 WeakPolarHBondContact O-CB 3.41Å; M266-L269 PolarHBondContact O-N 2.92Å; M266-L269 HydrophobicContact SD-CD1 4.11Å; E267-L269 VanDerWaalsContact C-N 3.3Å; L269-P271 VanDerWaalsContact C-N 3.3Å; L269-F272 WeakPolarHBondContact O-CA 3.17Å; L269-F272 WeakPolarHBondContact O-CB 3.28Å; L269-F272 PolarHBondContact O-N 2.95Å; L269-F295 HydrophobicContact CB-CD1 3.81Å; L269-F295 HydrophobicContact CB-CE1 3.9Å; L269-F295 WeakPolarHBondContact O-CD1 3.46Å; L269-I297 HydrophobicContact CD2-CD1 4.43Å; L269-V403 HydrophobicContact CD2-CG1 4.05Å; L269-F405 HydrophobicContact CD1-CZ 4.09Å; L269-F405 HydrophobicContact CD2-CE2 4.17Å; L269-F405 HydrophobicContact CD2-CZ 3.83Å
270L98.3Very high98.4Very high80 Ų8042.8 Ų42.842%0.41924%0.242SC..G310 helixtrans-49.3-39178.9-72.3178.5000114.8M266 F272 A273M266-L270 WeakPolarHBondContact O-CG 3.25Å; M266-L270 PolarHBondContact O-N 3.3Å; L270-F272 PolarHBondContact O-N 2.85Å; L270-F272 VanDerWaalsContact O-N 3.08Å; L270-A273 WeakPolarHBondContact O-CB 3.43Å; L270-A273 PolarHBondContact O-N 2.99Å; L270-A273 VanDerWaalsContact O-N 3.13Å
271P98.6Very high98.4Very high90 Ų9044.3 Ų44.358%0.58425%0.252SS*.G310 helixtrans-61.7-16175.5-24.736.2000114.8L269L269-P271 VanDerWaalsContact C-N 3.3Å
272F98.8Very high98.4Very high22 Ų2250.2 Ų50.210%0.09628%0.279CS..G310 helixtrans-109.512.8-178.7-48.8-78.1000112.5A268 L269 L270 N296 C396 E397 Y401 V403A268-F272 WeakPolarHBondContact O-CE2 3.28Å; L269-F272 WeakPolarHBondContact O-CA 3.17Å; L269-F272 WeakPolarHBondContact O-CB 3.28Å; L269-F272 PolarHBondContact O-N 2.95Å; L270-F272 PolarHBondContact O-N 2.85Å; L270-F272 VanDerWaalsContact O-N 3.08Å; F272-N296 PolarHBondContact O-N 2.9Å; F272-C396 HydrophobicContact CB-CB 4.13Å; F272-C396 HydrophobicContact CD1-CB 3.51Å; F272-C396 HydrophobicContact CD2-CB 3.41Å; F272-C396 VanDerWaalsContact CD2-CB 3.41Å; F272-C396 HydrophobicContact CE1-CB 3.61Å; F272-C396 HydrophobicContact CE2-CB 3.52Å; F272-C396 HydrophobicContact CG-CB 3.38Å; F272-C396 HydrophobicContact CZ-CB 3.6Å; F272-E397 WeakPolarHBondContact CE1-O 3.26Å; F272-Y401 AromaticContact CZ-CE2 3.94Å; F272-Y401 HydrophobicContact CZ-CE2 3.94Å; F272-V403 HydrophobicContact CE2-CB 3.95Å; F272-V403 HydrophobicContact CE2-CG2 3.68Å; F272-V403 HydrophobicContact CZ-CB 4.42Å; F272-V403 HydrophobicContact CZ-CG2 4.05Å
273A98.5Very high98.4Very high34 Ų3450.2 Ų50.228%0.28128%0.28SS..EExtended strand (participates in β ladder)trans-67.4131.9172.200000110.5L270 A292 S294 F295L270-A273 WeakPolarHBondContact O-CB 3.43Å; L270-A273 PolarHBondContact O-N 2.99Å; L270-A273 VanDerWaalsContact O-N 3.13Å; A273-A292 HydrophobicContact CB-CB 4.27Å; A273-S294 CarbonylContact C-O 3.53Å; A273-S294 VanDerWaalsContact CA-O 3.3Å; A273-S294 WeakPolarHBondContact CA-O 3.32Å; A273-F295 HydrophobicContact CB-CD1 4.27Å; A273-F295 HydrophobicContact CB-CE1 4.03Å
274E98Very high98.4Very high73 Ų7355.8 Ų55.834%0.34131%0.31SS..EExtended strand (participates in β ladder)trans-113.5165.1172.3-66.6-169.4179.800109.7A292 S294 N296 K320E274-A292 WeakPolarHBondContact O-CB 3.29Å; E274-S294 PolarHBondContact N-O 2.94Å; E274-N296 HydrophobicContact CG-CB 4.12Å; E274-N296 WeakPolarHBondContact OE1-CB 3.32Å; E274-N296 PolarHBondContact OE1-ND2 2.9Å; E274-K320 IonicContact OE1-NZ 3.27Å; E274-K320 WeakPolarHBondContact OE2-CD 3.38Å; E274-K320 IonicContact OE2-NZ 3.47Å
275S98.2Very high98.3Very high107 Ų10760.5 Ų60.575%0.74834%0.34SS*.PPolyproline II helixtrans-55.8140.9172.8-58.40000111.3
276N98.3Very high98.3Very high40 Ų4064.1 Ų64.121%0.21435%0.353CS..PPolyproline II helixtrans-64.8145.1177.9-52.9-44.4000110.7H289 D291 Y293 S294 T325N276-H289 PolarHBondContact ND2-CE1 3.01Å; N276-D291 PolarHBondContact ND2-O 2.7Å; N276-Y293 PolarHBondContact OD1-N 3.36Å; N276-S294 WeakPolarHBondContact CA-OG 3.46Å; N276-S294 PolarHBondContact OD1-N 3.01Å; N276-S294 PolarHBondContact OD1-OG 2.7Å; N276-T325 HydrophobicContact CB-CG2 4.26Å
277P96.8Very high98.3Very high43 Ų4363.4 Ų63.428%0.27935%0.35SS..PPolyproline II helixtrans-55.5143.1173.4-28.737000112.1Q279 S294 M322P277-Q279 PolarHBondContact O-N 2.9Å; P277-S294 VanDerWaalsContact CD-OG 3.28Å; P277-S294 WeakPolarHBondContact CD-OG 3.49Å; P277-M322 WeakPolarHBondContact CG-O 3.4Å
278L97.3Very high98.4Very high162 Ų16264.7 Ų64.785%0.84836%0.356SS*.PPolyproline II helixtrans-64.2124.3173.3-177.468.3000109.5
279Q98.6Very high98.3Very high33 Ų3366.1 Ų66.115%0.15436%0.362CS..PPolyproline II helixtrans-101119.2177.9-63.1-175.1-60.100110.4P277 P281 P283 Y323 W324P277-Q279 PolarHBondContact O-N 2.9Å; Q279-P281 CarbonylContact C-O 3.54Å; Q279-P281 CarbonylContact O-C 3.49Å; Q279-P283 HydrophobicContact CB-CG 4.14Å; Q279-Y323 VanDerWaalsContact CA-OH 3.25Å; Q279-Y323 WeakPolarHBondContact CA-OH 3.39Å; Q279-Y323 HydrophobicContact CB-CE1 4.34Å; Q279-Y323 HydrophobicContact CB-CE2 4.4Å; Q279-Y323 WeakPolarHBondContact CB-OH 3.49Å; Q279-Y323 HydrophobicContact CG-CD1 4.49Å; Q279-Y323 HydrophobicContact CG-CE1 3.92Å; Q279-Y323 HydrophobicContact CG-CE2 4.07Å; Q279-Y323 PolarHBondContact NE2-O 2.91Å; Q279-W324 VanDerWaalsContact NE2-CE3 3.28Å
280D97.3Very high98.2Very high123 Ų12375.5 Ų75.566%0.65841%0.406SS*.SBendtrans-130.6119.1174.5179.629.1000109Y323D280-Y323 PolarHBondContact N-OH 2.81Å; D280-Y323 VanDerWaalsContact N-OH 3.12Å; D280-Y323 PolarHBondContact O-OH 2.96Å
281P98.3Very high98.2Very high31 Ų3175 Ų7520%0.20140%0.403CS..SBendcis-65.7156.6-1.428-36.2000113.5Q279Q279-P281 CarbonylContact C-O 3.54Å; Q279-P281 CarbonylContact O-C 3.49Å
282Q98.5Very high98.1Very high135 Ų13572.8 Ų72.863%0.63139%0.393SS*.PPolyproline II helixtrans-56.3131171.5-168.4179.215.900109.8
283P98.7Very high98.1Very high11 Ų1172.2 Ų72.27%0.07139%0.39CS..PPolyproline II helixtrans-62.2163.8175.9-20.430.1000112.3Q279 L287 Q288 W324Q279-P283 HydrophobicContact CB-CG 4.14Å; P283-L287 HydrophobicContact CB-CB 3.8Å; P283-L287 HydrophobicContact CB-CD1 4.48Å; P283-Q288 PolarHBondContact O-NE2 2.73Å; P283-W324 HydrophobicContact CB-CH2 4.21Å; P283-W324 HydrophobicContact CB-CZ3 4.13Å; P283-W324 HydrophobicContact CG-CH2 4.1Å; P283-W324 HydrophobicContact CG-CZ3 3.95Å
284L98.8Very high98.1Very high117 Ų11771 Ų7161%0.61338%0.379SS*.PPolyproline II helixtrans-60.6152.8169.7-71.2174.4000111.2Y286 L287L284-Y286 HydrophobicContact CB-CD1 3.81Å; L284-Y286 HydrophobicContact CB-CE1 3.89Å; L284-Y286 HydrophobicContact CD1-CE1 4.24Å; L284-Y286 PolarHBondContact O-N 3.16Å; L284-L287 PolarHBondContact O-N 3.08Å
285P98.8Very high98.2Very high98 Ų9867.5 Ų67.564%0.63636%0.363SS*.G310 helixtrans-51-36-171.9-31.636.6000115.8L287 Q288P285-L287 PolarHBondContact O-N 3.05Å; P285-L287 VanDerWaalsContact O-N 3.16Å; P285-Q288 PolarHBondContact O-N 3.03Å; P285-Q288 VanDerWaalsContact O-N 3.09Å
286Y98.8Very high98.2Very high84 Ų8464.6 Ų64.633%0.32934%0.339SS..G310 helixtrans-65.7-17.1-179.785.5-76.9000114.1L284 T331 H332L284-Y286 HydrophobicContact CB-CD1 3.81Å; L284-Y286 HydrophobicContact CB-CE1 3.89Å; L284-Y286 HydrophobicContact CD1-CE1 4.24Å; L284-Y286 PolarHBondContact O-N 3.16Å; Y286-T331 HydrophobicContact CD2-CG2 3.92Å; Y286-T331 HydrophobicContact CE2-CG2 4.48Å; Y286-T331 WeakPolarHBondContact O-CG2 3.45Å; Y286-H332 AromaticContact CZ-ND1 3.87Å; Y286-H332 PolarHBondContact OH-CE1 3.42Å; Y286-H332 PolarHBondContact OH-ND1 2.89Å
287L98.9Very high98.2Very high0 Ų062.7 Ų62.70%033%0.329CS..G310 helixtrans-102.23.2176.1-67.3175.2000113.2I218 P283 L284 P285 W324 Q328 H332I218-L287 VanDerWaalsContact CD1-O 3.31Å; I218-L287 WeakPolarHBondContact CD1-O 3.45Å; P283-L287 HydrophobicContact CB-CB 3.8Å; P283-L287 HydrophobicContact CB-CD1 4.48Å; L284-L287 PolarHBondContact O-N 3.08Å; P285-L287 PolarHBondContact O-N 3.05Å; P285-L287 VanDerWaalsContact O-N 3.16Å; L287-W324 HydrophobicContact CB-CZ3 4.48Å; L287-W324 HydrophobicContact CD1-CH2 4.22Å; L287-W324 HydrophobicContact CD1-CZ3 3.82Å; L287-Q328 HydrophobicContact CB-CG 4.46Å; L287-Q328 HydrophobicContact CD2-CB 4.14Å; L287-Q328 HydrophobicContact CD2-CG 4.47Å; L287-Q328 WeakPolarHBondContact CD2-O 3.48Å; L287-Q328 WeakPolarHBondContact O-CG 3.3Å; L287-Q328 PolarHBondContact O-NE2 2.89Å; L287-H332 HydrophobicContact CD2-CB 4.06Å
288Q98.7Very high98.3Very high72 Ų7262.7 Ų62.734%0.33633%0.327SS..  trans-89.8131.8-177.7-62.1-179.315.400111I218 P283 P285I218-Q288 WeakPolarHBondContact CG2-O 3.44Å; P283-Q288 PolarHBondContact O-NE2 2.73Å; P285-Q288 PolarHBondContact O-N 3.03Å; P285-Q288 VanDerWaalsContact O-N 3.09Å
289H98.6Very high98.4Very high34 Ų3455 Ų5516%0.15729%0.286CS..  trans-150.6147.9170.872.2105.1000110.5I218 N276 D291 T325I218-H289 HydrophobicContact CD1-CB 3.88Å; I218-H289 HydrophobicContact CG1-CB 4.02Å; N276-H289 PolarHBondContact ND2-CE1 3.01Å; H289-D291 PolarHBondContact CE1-O 3.5Å; H289-D291 IonicContact CG-OD1 3.84Å; H289-D291 PolarHBondContact ND1-O 2.83Å; H289-D291 IonicContact ND1-OD1 3.64Å; H289-D291 PolarHBondContact ND1-OD1 2.91Å; H289-T325 PolarHBondContact NE2-OG1 2.96Å
290E95.6Very high98.4Very high197 Ų19755.9 Ų55.992%0.92129%0.29SS*.  trans-100.7-24.4-173.8-62.3-175.7169.200113.1
291D97.5Very high98.5Very high69 Ų6950 Ų5037%0.36926%0.258SS..SBendtrans-68.3137.8-178.862.5-55.1000111.7N276 H289 Y293 K327N276-D291 PolarHBondContact ND2-O 2.7Å; H289-D291 PolarHBondContact CE1-O 3.5Å; H289-D291 IonicContact CG-OD1 3.84Å; H289-D291 PolarHBondContact ND1-O 2.83Å; H289-D291 IonicContact ND1-OD1 3.64Å; H289-D291 PolarHBondContact ND1-OD1 2.91Å; D291-Y293 PolarHBondContact O-N 3.23Å; D291-K327 IonicContact OD1-NZ 3.63Å; D291-K327 PolarHBondContact OD1-NZ 2.92Å; D291-K327 IonicContact OD2-NZ 2.77Å; D291-K327 PolarHBondContact OD2-NZ 2.76Å
292A98.3Very high98.5Very high44 Ų4449.8 Ų49.836%0.36426%0.258SS..  trans-60119.9177.200000110.8A273 E274A273-A292 HydrophobicContact CB-CB 4.27Å; E274-A292 WeakPolarHBondContact O-CB 3.29Å
293Y98.6Very high98.5Very high10 Ų1043.4 Ų43.44%0.03923%0.228CC..  trans-147.426.7-179.2-142.3-97.4000112.8H222 I225 M266 N276 D291 F295 M326 K327H222-Y293 HydrophobicContact CB-CE2 4.04Å; I225-Y293 HydrophobicContact CD1-CE1 3.79Å; M266-Y293 HydrophobicContact CE-CE1 4.31Å; N276-Y293 PolarHBondContact OD1-N 3.36Å; D291-Y293 PolarHBondContact O-N 3.23Å; Y293-F295 AromaticContact CD1-CE2 3.82Å; Y293-F295 HydrophobicContact CD1-CE2 3.82Å; Y293-F295 HydrophobicContact CD1-CZ 4.3Å; Y293-F295 HydrophobicContact CD2-CE2 4.46Å; Y293-F295 HydrophobicContact CD2-CZ 4.18Å; Y293-F295 HydrophobicContact CE1-CE2 4.02Å; Y293-F295 HydrophobicContact CE1-CZ 4.33Å; Y293-F295 HydrophobicContact CE2-CZ 4.19Å; Y293-F295 HydrophobicContact CG-CE2 4.07Å; Y293-F295 HydrophobicContact CG-CZ 4.25Å; Y293-F295 WeakPolarHBondContact O-CE2 3.11Å; Y293-M326 HydrophobicContact CD1-CB 4.4Å; Y293-M326 HydrophobicContact CD1-CE 4.27Å; Y293-M326 HydrophobicContact CE1-CB 4.1Å; Y293-M326 HydrophobicContact CE1-CE 3.82Å; Y293-K327 HydrophobicContact CD1-CD 3.95Å; Y293-K327 HydrophobicContact CD1-CG 3.6Å; Y293-K327 HydrophobicContact CD2-CD 3.8Å; Y293-K327 HydrophobicContact CD2-CG 4.29Å; Y293-K327 HydrophobicContact CE1-CD 4.32Å; Y293-K327 HydrophobicContact CE1-CG 3.75Å; Y293-K327 HydrophobicContact CE2-CD 4.21Å; Y293-K327 HydrophobicContact CE2-CG 4.44Å; Y293-K327 HydrophobicContact CG-CD 3.64Å; Y293-K327 HydrophobicContact CG-CG 3.87Å
294S98.5Very high98.5Very high8 Ų846.3 Ų46.36%0.05624%0.239CC..EExtended strand (participates in β ladder)trans-105.5141.8165.2-60.50000107.7A273 E274 N276 P277A273-S294 CarbonylContact C-O 3.53Å; A273-S294 VanDerWaalsContact CA-O 3.3Å; A273-S294 WeakPolarHBondContact CA-O 3.32Å; E274-S294 PolarHBondContact N-O 2.94Å; N276-S294 WeakPolarHBondContact CA-OG 3.46Å; N276-S294 PolarHBondContact OD1-N 3.01Å; N276-S294 PolarHBondContact OD1-OG 2.7Å; P277-S294 VanDerWaalsContact CD-OG 3.28Å; P277-S294 WeakPolarHBondContact CD-OG 3.49Å
295F98.9Very high98.5Very high0 Ų040.8 Ų40.80%021%0.211CC..EExtended strand (participates in β ladder)trans-121.8133.2-169.1-62.3-92.6000111.7M266 L269 A273 Y293 I297 F319 K320 M326M266-F295 HydrophobicContact CE-CD2 4.45Å; M266-F295 HydrophobicContact CE-CE1 3.92Å; M266-F295 HydrophobicContact CE-CE2 3.61Å; M266-F295 HydrophobicContact CE-CZ 3.28Å; L269-F295 HydrophobicContact CB-CD1 3.81Å; L269-F295 HydrophobicContact CB-CE1 3.9Å; L269-F295 WeakPolarHBondContact O-CD1 3.46Å; A273-F295 HydrophobicContact CB-CD1 4.27Å; A273-F295 HydrophobicContact CB-CE1 4.03Å; Y293-F295 AromaticContact CD1-CE2 3.82Å; Y293-F295 HydrophobicContact CD1-CE2 3.82Å; Y293-F295 HydrophobicContact CD1-CZ 4.3Å; Y293-F295 HydrophobicContact CD2-CE2 4.46Å; Y293-F295 HydrophobicContact CD2-CZ 4.18Å; Y293-F295 HydrophobicContact CE1-CE2 4.02Å; Y293-F295 HydrophobicContact CE1-CZ 4.33Å; Y293-F295 HydrophobicContact CE2-CZ 4.19Å; Y293-F295 HydrophobicContact CG-CE2 4.07Å; Y293-F295 HydrophobicContact CG-CZ 4.25Å; Y293-F295 WeakPolarHBondContact O-CE2 3.11Å; F295-I297 HydrophobicContact CB-CD1 3.85Å; F295-I297 HydrophobicContact CB-CG1 3.77Å; F295-I297 PolarHBondContact O-N 3.22Å; F295-F319 HydrophobicContact CB-CD1 4.17Å; F295-F319 HydrophobicContact CD2-CE1 4.4Å; F295-K320 PolarHBondContact O-N 2.85Å; F295-K320 VanDerWaalsContact O-N 3.09Å; F295-M326 HydrophobicContact CD2-CE 3.8Å; F295-M326 HydrophobicContact CE2-CE 3.46Å; F295-M326 VanDerWaalsContact CE2-CE 3.46Å; F295-M326 HydrophobicContact CZ-CE 4.43Å
296N98.8Very high98.1Very high45 Ų4543.1 Ų43.124%0.24121%0.213CC..  trans-79.685174.7-172.4-7000110.6F272 E274 N318F272-N296 PolarHBondContact O-N 2.9Å; E274-N296 HydrophobicContact CG-CB 4.12Å; E274-N296 WeakPolarHBondContact OE1-CB 3.32Å; E274-N296 PolarHBondContact OE1-ND2 2.9Å; N296-N318 PolarHBondContact OD1-ND2 3.39Å
297I98.9Very high97.8Very high0 Ų045.5 Ų45.50%023%0.232CC..  trans-115.9111179.8-46.4-180000107.3M202 M228 L269 F295 L299 N318 F319 F405M202-I297 HydrophobicContact CE-CD1 3.86Å; M202-I297 HydrophobicContact CE-CG2 4.29Å; M202-I297 HydrophobicContact SD-CB 4.33Å; M202-I297 HydrophobicContact SD-CD1 3.72Å; M202-I297 HydrophobicContact SD-CG2 4.06Å; M228-I297 HydrophobicContact SD-CD1 4.3Å; L269-I297 HydrophobicContact CD2-CD1 4.43Å; F295-I297 HydrophobicContact CB-CD1 3.85Å; F295-I297 HydrophobicContact CB-CG1 3.77Å; F295-I297 PolarHBondContact O-N 3.22Å; I297-L299 HydrophobicContact CG2-CD2 4.22Å; I297-N318 PolarHBondContact N-OD1 3.29Å; I297-N318 VanDerWaalsContact O-CA 3.22Å; I297-N318 WeakPolarHBondContact O-CA 3.36Å; I297-N318 PolarHBondContact O-ND2 3.44Å; I297-N318 PolarHBondContact O-OD1 3.13Å; I297-F319 HydrophobicContact CB-CB 3.87Å; I297-F319 HydrophobicContact CD1-CB 4.19Å; I297-F319 HydrophobicContact CD1-CD1 4.07Å; I297-F319 HydrophobicContact CD1-CG 4.34Å; I297-F319 HydrophobicContact CG1-CB 4.15Å; I297-F319 PolarHBondContact O-N 2.92Å; I297-F405 HydrophobicContact CD1-CE2 4.37Å; I297-F405 HydrophobicContact CD1-CZ 4.15Å; I297-F405 HydrophobicContact CG2-CD2 4.4Å; I297-F405 HydrophobicContact CG2-CE2 3.78Å; I297-F405 HydrophobicContact CG2-CZ 4.5Å
298N98.9Very high97.6Very high44 Ų4446.7 Ų46.724%0.23524%0.238CC..EExtended strand (participates in β ladder)trans-71.5131.2175.8-57.6-72.6000108.7F300 N318 G394 Y395N298-F300 HydrophobicContact CB-CE2 3.76Å; N298-F300 HydrophobicContact CB-CZ 4.01Å; N298-N318 PolarHBondContact OD1-ND2 3.18Å; N298-G394 CarbonylContact O-C 3.57Å; N298-G394 WeakPolarHBondContact O-CA 3.46Å; N298-Y395 HydrophobicContact CB-CE2 4.48Å; N298-Y395 PolarHBondContact N-O 3.39Å; N298-Y395 PolarHBondContact ND2-O 2.78Å; N298-Y395 PolarHBondContact O-N 3.31Å
299L98.9Very high97.3Very high0 Ų049.4 Ų49.40%026%0.259CS..EExtended strand (participates in β ladder)trans-126138.5-175.1-66.5170.3000110.5L200 M202 L230 I297 S316 S317 F319 I351L200-L299 HydrophobicContact CD1-CB 4.27Å; L200-L299 HydrophobicContact CD1-CD1 4.45Å; L200-L299 HydrophobicContact CD2-CB 4.04Å; L200-L299 HydrophobicContact CD2-CD1 4.46Å; M202-L299 HydrophobicContact CG-CD1 4.23Å; M202-L299 HydrophobicContact CG-CD2 4.17Å; M202-L299 HydrophobicContact SD-CD1 4.23Å; M202-L299 HydrophobicContact SD-CD2 3.93Å; L230-L299 HydrophobicContact CD2-CD2 3.51Å; I297-L299 HydrophobicContact CG2-CD2 4.22Å; L299-S316 CarbonylContact O-C 3.58Å; L299-S316 WeakPolarHBondContact O-CA 3.35Å; L299-S317 PolarHBondContact N-O 2.99Å; L299-S317 PolarHBondContact O-N 3.41Å; L299-F319 HydrophobicContact CD1-CB 4.19Å; L299-I351 HydrophobicContact CD1-CD1 3.53Å; L299-I351 HydrophobicContact CD1-CG2 4.23Å
300F98.9Very high97.2Very high51 Ų5155 Ų5522%0.22429%0.285CS..EExtended strand (participates in β ladder)trans-135.6142-177.4-54.6-85.3000110.4N298 C315 S316 I392 T393 Y395N298-F300 HydrophobicContact CB-CE2 3.76Å; N298-F300 HydrophobicContact CB-CZ 4.01Å; F300-C315 WeakPolarHBondContact CA-O 3.31Å; F300-S316 WeakPolarHBondContact CD1-OG 3.31Å; F300-I392 WeakPolarHBondContact O-CA 3.41Å; F300-T393 PolarHBondContact N-O 2.95Å; F300-T393 PolarHBondContact O-N 2.99Å; F300-Y395 HydrophobicContact CD2-CE1 4.27Å; F300-Y395 HydrophobicContact CE2-CD1 4.19Å; F300-Y395 AromaticContact CE2-CE1 3.49Å; F300-Y395 HydrophobicContact CE2-CE1 3.49Å; F300-Y395 VanDerWaalsContact CE2-CE1 3.49Å; F300-Y395 HydrophobicContact CZ-CE1 4.28Å
301V98.9Very high97.3Very high0 Ų048 Ų480%026%0.262CS..EExtended strand (participates in β ladder)trans-121.3121.9171.1-173.20000108.3I198 L200 N313 I314 C315 I390 I392I198-V301 HydrophobicContact CD1-CG1 3.87Å; I198-V301 HydrophobicContact CD1-CG2 4.2Å; L200-V301 HydrophobicContact CB-CG2 3.98Å; L200-V301 HydrophobicContact CD1-CG2 3.99Å; L200-V301 HydrophobicContact CD2-CG2 4.04Å; L200-V301 HydrophobicContact CG-CG2 4.21Å; V301-N313 CarbonylContact O-C 3.57Å; V301-N313 WeakPolarHBondContact O-CA 3.05Å; V301-N313 PolarHBondContact O-OD1 2.74Å; V301-I314 HydrophobicContact CB-CG1 4.12Å; V301-I314 HydrophobicContact CG1-CD1 4.06Å; V301-I314 HydrophobicContact CG1-CG1 3.96Å; V301-I314 WeakPolarHBondContact O-CG1 3.23Å; V301-I314 PolarHBondContact O-N 3.26Å; V301-C315 HydrophobicContact CB-CB 3.94Å; V301-C315 HydrophobicContact CG2-CB 3.94Å; V301-C315 PolarHBondContact N-O 3.12Å; V301-C315 PolarHBondContact O-N 3.44Å; V301-I390 HydrophobicContact CG1-CG2 3.86Å; V301-I392 HydrophobicContact CG1-CG1 4.48Å; V301-I392 HydrophobicContact CG2-CG1 4.25Å
302S98.8Very high97.3Very high27 Ų2746.9 Ų46.919%0.18926%0.257CS..EExtended strand (participates in β ladder)trans-110.2143.7172.364.60000111.6V312 I390 T391S302-V312 CarbonylContact C-O 3.48Å; S302-V312 VanDerWaalsContact CA-O 3.25Å; S302-V312 WeakPolarHBondContact CA-O 3.47Å; S302-I390 WeakPolarHBondContact O-CA 3.23Å; S302-T391 PolarHBondContact N-O 2.98Å; S302-T391 PolarHBondContact O-N 2.78Å; S302-T391 PolarHBondContact OG-O 3.49Å
303L98.8Very high97.3Very high0 Ų048.2 Ų48.20%026%0.258CS..EExtended strand (participates in β ladder)trans-119128.6175.9-175159.9000109.3A311 V312 I314 M362 I375 R381 L384 E389 I390L303-A311 WeakPolarHBondContact O-CA 3.42Å; L303-V312 PolarHBondContact N-O 2.89Å; L303-V312 PolarHBondContact O-N 3.45Å; L303-I314 HydrophobicContact CB-CD1 4.12Å; L303-I314 HydrophobicContact CB-CG1 4.48Å; L303-I314 HydrophobicContact CB-CG2 4.05Å; L303-I314 HydrophobicContact CD1-CD1 4.31Å; L303-M362 HydrophobicContact CD1-CE 4.01Å; L303-M362 HydrophobicContact CD1-SD 4.39Å; L303-I375 HydrophobicContact CD1-CG2 4.5Å; L303-I375 HydrophobicContact CD2-CB 4.49Å; L303-I375 HydrophobicContact CD2-CD1 4.19Å; L303-I375 HydrophobicContact CD2-CG2 4.09Å; L303-R381 HydrophobicContact CD1-CG 4.14Å; L303-L384 HydrophobicContact CD1-CD2 4.18Å; L303-E389 WeakPolarHBondContact CA-O 3.44Å; L303-I390 HydrophobicContact CB-CD1 3.83Å; L303-I390 HydrophobicContact CD1-CD1 3.97Å; L303-I390 HydrophobicContact CG-CD1 3.84Å
304K98.4Very high97.3Very high72 Ų7248.5 Ų48.531%0.31326%0.26SS..EExtended strand (participates in β ladder)trans-121.5112.1170.6-174.3175.9175.7171.20109.7M308 T309 A311 E389K304-M308 WeakPolarHBondContact CE-O 3.42Å; K304-M308 HydrophobicContact CG-CB 4.22Å; K304-T309 WeakPolarHBondContact CE-O 3.33Å; K304-T309 PolarHBondContact NZ-O 3.14Å; K304-A311 HydrophobicContact CB-CB 3.88Å; K304-E389 HydrophobicContact CB-CB 4.42Å; K304-E389 PolarHBondContact N-O 3.37Å; K304-E389 PolarHBondContact O-N 2.78Å
305G97.2Very high97.3Very high2 Ų248.1 Ų48.12%0.02126%0.257CS..  trans-71.8156.5172.200000111.7D307 M308 D388G305-D307 VanDerWaalsContact C-N 3.25Å; G305-D307 PolarHBondContact O-N 2.85Å; G305-D307 VanDerWaalsContact O-N 3.14Å; G305-M308 PolarHBondContact N-SD 2.95Å; G305-M308 WeakPolarHBondContact O-CB 3.22Å; G305-M308 PolarHBondContact O-N 3.27Å; G305-D388 WeakPolarHBondContact CA-OD1 3.09Å
306Q92.3Very high97.3Very high147 Ų14750.8 Ų50.869%0.68728%0.276SS*.THydrogen-bonded Turntrans-51-40.9-176.7-173.9172.3-5.700114.1G387Q306-G387 PolarHBondContact N-O 3.08Å
307D91.6Very high97.3Very high133 Ų13349 Ų4971%0.71127%0.267SS*.THydrogen-bonded Turntrans-95.919.8-178.9-48.1-48.3000113.2G305 K379G305-D307 VanDerWaalsContact C-N 3.25Å; G305-D307 PolarHBondContact O-N 2.85Å; G305-D307 VanDerWaalsContact O-N 3.14Å; D307-K379 PolarHBondContact O-NZ 3.13Å
308M95.1Very high97.3Very high26 Ų2649.3 Ų49.313%0.12827%0.268CS..  trans-102.1141.1178.1-66.5170.858.200110.4K304 G305 E310 V312 I375K304-M308 WeakPolarHBondContact CE-O 3.42Å; K304-M308 HydrophobicContact CG-CB 4.22Å; G305-M308 PolarHBondContact N-SD 2.95Å; G305-M308 WeakPolarHBondContact O-CB 3.22Å; G305-M308 PolarHBondContact O-N 3.27Å; M308-E310 VanDerWaalsContact CE-O 3.31Å; M308-E310 WeakPolarHBondContact CE-O 3.44Å; M308-V312 HydrophobicContact CE-CG2 3.85Å; M308-I375 HydrophobicContact CE-CB 4.39Å; M308-I375 WeakPolarHBondContact CE-O 3.37Å; M308-I375 HydrophobicContact SD-CD1 3.74Å; M308-I375 HydrophobicContact SD-CG1 4.4Å
309T92.7Very high97.3Very high128 Ų12847.8 Ų47.879%0.78526%0.26SS*.SBendtrans-78.8-44.7174.148.40000111K304K304-T309 WeakPolarHBondContact CE-O 3.33Å; K304-T309 PolarHBondContact NZ-O 3.14Å
310E95.2Very high97.3Very high152 Ų15250.7 Ų50.771%0.7127%0.272SS*.SBendtrans-114.1150.2-177.2-62.7-176176.200111.2M308M308-E310 VanDerWaalsContact CE-O 3.31Å; M308-E310 WeakPolarHBondContact CE-O 3.44Å
311A97.7Very high97.3Very high51 Ų5152 Ų5242%0.42128%0.276SS..  trans-81.4149.5172.300000110.2L303 K304L303-A311 WeakPolarHBondContact O-CA 3.42Å; K304-A311 HydrophobicContact CB-CB 3.88Å
312V98.2Very high97.3Very high44 Ų4452.2 Ų52.227%0.26728%0.278SS..EExtended strand (participates in β ladder)trans-111132.1174.81750000109.7S302 L303 M308 I314 I375S302-V312 CarbonylContact C-O 3.48Å; S302-V312 VanDerWaalsContact CA-O 3.25Å; S302-V312 WeakPolarHBondContact CA-O 3.47Å; L303-V312 PolarHBondContact N-O 2.89Å; L303-V312 PolarHBondContact O-N 3.45Å; M308-V312 HydrophobicContact CE-CG2 3.85Å; V312-I314 PolarHBondContact O-N 3.27Å; V312-I375 WeakPolarHBondContact CG2-O 3.49Å
313N98.5Very high97.3Very high73 Ų7351.5 Ų51.539%0.3927%0.271SS..EExtended strand (participates in β ladder)trans-72.4113.7173-175.575.4000110.2V301 C315 S316V301-N313 CarbonylContact O-C 3.57Å; V301-N313 WeakPolarHBondContact O-CA 3.05Å; V301-N313 PolarHBondContact O-OD1 2.74Å; N313-C315 PolarHBondContact ND2-O 2.69Å; N313-C315 PolarHBondContact OD1-O 3.27Å; N313-C315 VanDerWaalsContact OD1-O 3.12Å; N313-S316 PolarHBondContact ND2-OG 3.21Å
314I98.6Very high97.3Very high15 Ų1551.6 Ų51.68%0.07727%0.271CS..EExtended strand (participates in β ladder)trans-100.4-15.5-177.861.2166.8000113V301 L303 V312 M362 L365 I373 I375V301-I314 HydrophobicContact CB-CG1 4.12Å; V301-I314 HydrophobicContact CG1-CD1 4.06Å; V301-I314 HydrophobicContact CG1-CG1 3.96Å; V301-I314 WeakPolarHBondContact O-CG1 3.23Å; V301-I314 PolarHBondContact O-N 3.26Å; L303-I314 HydrophobicContact CB-CD1 4.12Å; L303-I314 HydrophobicContact CB-CG1 4.48Å; L303-I314 HydrophobicContact CB-CG2 4.05Å; L303-I314 HydrophobicContact CD1-CD1 4.31Å; V312-I314 PolarHBondContact O-N 3.27Å; I314-M362 HydrophobicContact CD1-CG 4.41Å; I314-L365 HydrophobicContact CB-CD1 4.4Å; I314-L365 HydrophobicContact CD1-CD1 4.27Å; I314-L365 HydrophobicContact CG1-CD1 4.42Å; I314-L365 WeakPolarHBondContact O-CD2 3.39Å; I314-I373 HydrophobicContact CB-CG2 4.25Å; I314-I373 HydrophobicContact CG2-CG2 3.88Å; I314-I375 HydrophobicContact CG2-CG2 4.31Å
315C98.8Very high97.3Very high1 Ų148.5 Ų48.51%0.00726%0.258CS..EExtended strand (participates in β ladder)trans-146.8134.4176.7176.80000110.8F300 V301 N313 G357 F359F300-C315 WeakPolarHBondContact CA-O 3.31Å; V301-C315 HydrophobicContact CB-CB 3.94Å; V301-C315 HydrophobicContact CG2-CB 3.94Å; V301-C315 PolarHBondContact N-O 3.12Å; V301-C315 PolarHBondContact O-N 3.44Å; N313-C315 PolarHBondContact ND2-O 2.69Å; N313-C315 PolarHBondContact OD1-O 3.27Å; N313-C315 VanDerWaalsContact OD1-O 3.12Å; C315-G357 WeakPolarHBondContact CA-O 3.25Å; C315-F359 PolarHBondContact SG-O 3.49Å
316S98.8Very high97.4Very high55 Ų5548.6 Ų48.639%0.38526%0.258SS..EExtended strand (participates in β ladder)trans-126107.5166.5-59.90000108.5L299 F300 N313 G357 S358L299-S316 CarbonylContact O-C 3.58Å; L299-S316 WeakPolarHBondContact O-CA 3.35Å; F300-S316 WeakPolarHBondContact CD1-OG 3.31Å; N313-S316 PolarHBondContact ND2-OG 3.21Å; S316-G357 PolarHBondContact N-O 3.43Å; S316-S358 VanDerWaalsContact O-CA 3.29Å; S316-S358 WeakPolarHBondContact O-CA 3.34Å; S316-S358 WeakPolarHBondContact O-CB 3.31Å
317S98.9Very high97.7Very high8 Ų841.8 Ų41.86%0.05623%0.226CC..EExtended strand (participates in β ladder)trans-127.1-173.9-175.8-161.80000111.1L299 I351 S358L299-S317 PolarHBondContact N-O 2.99Å; L299-S317 PolarHBondContact O-N 3.41Å; S317-I351 PolarHBondContact OG-O 3.13Å; S317-S358 PolarHBondContact OG-O 3.01Å
318N98.9Very high98.1Very high6 Ų635.6 Ų35.63%0.03219%0.193CC..EExtended strand (participates in β ladder)trans-149.9139.9176.7-164.6-65.2000111.3N296 I297 N298 K320 Y321N296-N318 PolarHBondContact OD1-ND2 3.39Å; I297-N318 PolarHBondContact N-OD1 3.29Å; I297-N318 VanDerWaalsContact O-CA 3.22Å; I297-N318 WeakPolarHBondContact O-CA 3.36Å; I297-N318 PolarHBondContact O-ND2 3.44Å; I297-N318 PolarHBondContact O-OD1 3.13Å; N298-N318 PolarHBondContact OD1-ND2 3.18Å; N318-K320 HydrophobicContact CB-CG 4.15Å; N318-K320 PolarHBondContact O-N 3.3Å; N318-K320 WeakPolarHBondContact OD1-CB 3.47Å; N318-K320 WeakPolarHBondContact OD1-CD 3.28Å; N318-K320 WeakPolarHBondContact OD1-CG 3.07Å; N318-K320 PolarHBondContact OD1-N 3.29Å; N318-Y321 HydrophobicContact CB-CD2 4.13Å; N318-Y321 HydrophobicContact CB-CE2 3.81Å; N318-Y321 WeakPolarHBondContact O-CD2 3.43Å; N318-Y321 PolarHBondContact O-N 3.27Å
319F98.9Very high98.3Very high12 Ų1234.5 Ų34.55%0.05319%0.188CC..G310 helixtrans-64.1-21.4-179.4-170.5-113.9000113.4M202 M228 F295 I297 L299 Y321 M322 M326 I351M202-F319 HydrophobicContact CB-CD2 4.1Å; M202-F319 HydrophobicContact CB-CE2 3.99Å; M202-F319 HydrophobicContact CG-CD2 4.11Å; M202-F319 HydrophobicContact SD-CB 4Å; M202-F319 HydrophobicContact SD-CD2 3.93Å; M202-F319 HydrophobicContact SD-CG 3.93Å; M228-F319 HydrophobicContact CE-CD1 4.25Å; M228-F319 HydrophobicContact CE-CE1 3.67Å; M228-F319 HydrophobicContact CE-CE2 4.12Å; M228-F319 HydrophobicContact CE-CZ 3.59Å; M228-F319 HydrophobicContact SD-CE1 4.42Å; F295-F319 HydrophobicContact CB-CD1 4.17Å; F295-F319 HydrophobicContact CD2-CE1 4.4Å; I297-F319 HydrophobicContact CB-CB 3.87Å; I297-F319 HydrophobicContact CD1-CB 4.19Å; I297-F319 HydrophobicContact CD1-CD1 4.07Å; I297-F319 HydrophobicContact CD1-CG 4.34Å; I297-F319 HydrophobicContact CG1-CB 4.15Å; I297-F319 PolarHBondContact O-N 2.92Å; L299-F319 HydrophobicContact CD1-CB 4.19Å; F319-Y321 PolarHBondContact O-N 3.19Å; F319-M322 HydrophobicContact CD2-CG 3.79Å; F319-M322 HydrophobicContact CE2-CG 3.67Å; F319-M322 HydrophobicContact CG-CG 4.47Å; F319-M322 HydrophobicContact CZ-CG 4.25Å; F319-M322 VanDerWaalsContact O-CG 3.3Å; F319-M322 WeakPolarHBondContact O-CG 3.49Å; F319-M322 PolarHBondContact O-N 3.34Å; F319-M326 HydrophobicContact CE1-CE 4.29Å; F319-M326 HydrophobicContact CE1-SD 4.49Å; F319-M326 HydrophobicContact CZ-CG 4.32Å; F319-M326 HydrophobicContact CZ-SD 4.37Å; F319-I351 HydrophobicContact CD2-CD1 3.71Å; F319-I351 HydrophobicContact CD2-CG1 4.37Å; F319-I351 HydrophobicContact CE2-CD1 4.3Å
320K98.5Very high98.6Very high61 Ų6128.4 Ų28.427%0.26515%0.15SC..G310 helixtrans-63.9-11.5178.275.7-169.6-175.11720115E274 F295 N318 M322E274-K320 IonicContact OE1-NZ 3.27Å; E274-K320 WeakPolarHBondContact OE2-CD 3.38Å; E274-K320 IonicContact OE2-NZ 3.47Å; F295-K320 PolarHBondContact O-N 2.85Å; F295-K320 VanDerWaalsContact O-N 3.09Å; N318-K320 HydrophobicContact CB-CG 4.15Å; N318-K320 PolarHBondContact O-N 3.3Å; N318-K320 WeakPolarHBondContact OD1-CB 3.47Å; N318-K320 WeakPolarHBondContact OD1-CD 3.28Å; N318-K320 WeakPolarHBondContact OD1-CG 3.07Å; N318-K320 PolarHBondContact OD1-N 3.29Å; K320-M322 VanDerWaalsContact C-N 3.28Å
321Y98.7Very high98.7Very high78 Ų7821.4 Ų21.431%0.30612%0.118SC..G310 helixtrans-79.3-7.6177.6-59.4-45.2000113.7N318 F319 Y323 G353 P354N318-Y321 HydrophobicContact CB-CD2 4.13Å; N318-Y321 HydrophobicContact CB-CE2 3.81Å; N318-Y321 WeakPolarHBondContact O-CD2 3.43Å; N318-Y321 PolarHBondContact O-N 3.27Å; F319-Y321 PolarHBondContact O-N 3.19Å; Y321-Y323 PolarHBondContact O-N 2.66Å; Y321-G353 VanDerWaalsContact CD2-CA 3.42Å; Y321-P354 HydrophobicContact CE1-CG 4.44Å
322M98.9Very high98.8Very high6 Ų621.1 Ų21.13%0.0311%0.108CC..BIsolated β-bridgetrans-64.7126.4179.1-61.8-47-86.100111.5P277 F319 K320 S348 I351P277-M322 WeakPolarHBondContact CG-O 3.4Å; F319-M322 HydrophobicContact CD2-CG 3.79Å; F319-M322 HydrophobicContact CE2-CG 3.67Å; F319-M322 HydrophobicContact CG-CG 4.47Å; F319-M322 HydrophobicContact CZ-CG 4.25Å; F319-M322 VanDerWaalsContact O-CG 3.3Å; F319-M322 WeakPolarHBondContact O-CG 3.49Å; F319-M322 PolarHBondContact O-N 3.34Å; K320-M322 VanDerWaalsContact C-N 3.28Å; M322-S348 WeakPolarHBondContact CE-O 3.36Å; M322-I351 HydrophobicContact CE-CG1 4.26Å; M322-I351 HydrophobicContact SD-CB 4.23Å; M322-I351 HydrophobicContact SD-CG1 3.79Å; M322-I351 HydrophobicContact SD-CG2 4.07Å
323Y98.9Very high98.8Very high12 Ų1220.4 Ų20.45%0.04710%0.102CC..SBendtrans-78-32.7-176-177.5-93.3000112.8S129 K131 W152 L153 Q279 D280 Y321S129-Y323 WeakPolarHBondContact O-CB 3.44Å; S129-Y323 PolarHBondContact O-N 3.34Å; K131-Y323 HydrophobicContact CB-CD2 4.44Å; K131-Y323 HydrophobicContact CB-CG 4.47Å; K131-Y323 HydrophobicContact CD-CD2 3.96Å; K131-Y323 HydrophobicContact CD-CE2 4.21Å; W152-Y323 AromaticContact CH2-CD1 3.93Å; W152-Y323 HydrophobicContact CH2-CD1 3.93Å; W152-Y323 AromaticContact CH2-CG 3.89Å; W152-Y323 HydrophobicContact CH2-CG 3.89Å; W152-Y323 AromaticContact CZ3-CD1 3.74Å; W152-Y323 HydrophobicContact CZ3-CD1 3.74Å; W152-Y323 HydrophobicContact CZ3-CE1 4.22Å; W152-Y323 AromaticContact CZ3-CG 3.93Å; W152-Y323 HydrophobicContact CZ3-CG 3.93Å; L153-Y323 HydrophobicContact CD2-CE1 3.94Å; L153-Y323 HydrophobicContact CD2-CE2 4.26Å; Q279-Y323 VanDerWaalsContact CA-OH 3.25Å; Q279-Y323 WeakPolarHBondContact CA-OH 3.39Å; Q279-Y323 HydrophobicContact CB-CE1 4.34Å; Q279-Y323 HydrophobicContact CB-CE2 4.4Å; Q279-Y323 WeakPolarHBondContact CB-OH 3.49Å; Q279-Y323 HydrophobicContact CG-CD1 4.49Å; Q279-Y323 HydrophobicContact CG-CE1 3.92Å; Q279-Y323 HydrophobicContact CG-CE2 4.07Å; Q279-Y323 PolarHBondContact NE2-O 2.91Å; D280-Y323 PolarHBondContact N-OH 2.81Å; D280-Y323 VanDerWaalsContact N-OH 3.12Å; D280-Y323 PolarHBondContact O-OH 2.96Å; Y321-Y323 PolarHBondContact O-N 2.66Å
324W98.9Very high98.8Very high2 Ų216.9 Ų16.91%0.0088%0.083CC..SBendtrans-106.2130.5173.9-62.699.8000109.5W152 P156 Q279 P283 L287 Q328W152-W324 PolarHBondContact O-NE1 3.2Å; W152-W324 VanDerWaalsContact O-NE1 3.14Å; P156-W324 HydrophobicContact CB-CB 3.91Å; P156-W324 HydrophobicContact CB-CD2 3.9Å; P156-W324 HydrophobicContact CB-CE3 4.31Å; P156-W324 HydrophobicContact CB-CG 3.7Å; P156-W324 HydrophobicContact CG-CD2 4.44Å; P156-W324 HydrophobicContact CG-CE3 4.39Å; Q279-W324 VanDerWaalsContact NE2-CE3 3.28Å; P283-W324 HydrophobicContact CB-CH2 4.21Å; P283-W324 HydrophobicContact CB-CZ3 4.13Å; P283-W324 HydrophobicContact CG-CH2 4.1Å; P283-W324 HydrophobicContact CG-CZ3 3.95Å; L287-W324 HydrophobicContact CB-CZ3 4.48Å; L287-W324 HydrophobicContact CD1-CH2 4.22Å; L287-W324 HydrophobicContact CD1-CZ3 3.82Å; W324-Q328 HydrophobicContact CE3-CB 4.05Å; W324-Q328 HydrophobicContact CE3-CG 4.35Å; W324-Q328 VanDerWaalsContact CE3-OE1 3.29Å
325T98.9Very high98.9Very high7 Ų718.6 Ų18.64%0.04310%0.096CC..  trans-78.5161.2-179.771.20000111.3N276 H289 K327 Q328 Q329N276-T325 HydrophobicContact CB-CG2 4.26Å; H289-T325 PolarHBondContact NE2-OG1 2.96Å; T325-K327 PolarHBondContact O-N 2.94Å; T325-Q328 WeakPolarHBondContact O-CB 3.36Å; T325-Q328 PolarHBondContact O-N 2.85Å; T325-Q328 VanDerWaalsContact O-N 3.08Å; T325-Q328 WeakPolarHBondContact OG1-CG 3.42Å; T325-Q328 PolarHBondContact OG1-N 2.99Å; T325-Q329 WeakPolarHBondContact O-CG 3.49Å; T325-Q329 PolarHBondContact O-N 3.38Å
326M98.9Very high98.8Very high3 Ų324.9 Ų24.92%0.01513%0.129CC..Hα-helixtrans-59.7-33.5174.8-65.2-178.6-72.100112.5F204 I225 M228 M266 Y293 F295 F319 Q329 L330F204-M326 HydrophobicContact CB-SD 3.88Å; F204-M326 HydrophobicContact CD1-CB 3.97Å; F204-M326 HydrophobicContact CD1-CG 3.61Å; F204-M326 HydrophobicContact CD1-SD 3.56Å; F204-M326 VanDerWaalsContact CD1-SD 3.56Å; F204-M326 HydrophobicContact CE1-CB 3.77Å; F204-M326 HydrophobicContact CE1-CG 3.78Å; F204-M326 HydrophobicContact CE1-SD 4.33Å; F204-M326 HydrophobicContact CG-CG 4.45Å; F204-M326 HydrophobicContact CG-SD 3.94Å; F204-M326 HydrophobicContact CZ-CB 4.3Å; I225-M326 HydrophobicContact CD1-CB 3.9Å; M228-M326 HydrophobicContact CE-CE 4.14Å; M228-M326 HydrophobicContact CE-SD 3.61Å; M228-M326 HydrophobicContact CG-CE 4.43Å; M228-M326 HydrophobicContact CG-SD 4.11Å; M228-M326 HydrophobicContact SD-CE 3.58Å; M228-M326 VanDerWaalsContact SD-CE 3.58Å; M228-M326 HydrophobicContact SD-SD 3.69Å; M228-M326 VanDerWaalsContact SD-SD 3.69Å; M266-M326 HydrophobicContact CE-CE 3.57Å; M266-M326 HydrophobicContact SD-CE 4.17Å; Y293-M326 HydrophobicContact CD1-CB 4.4Å; Y293-M326 HydrophobicContact CD1-CE 4.27Å; Y293-M326 HydrophobicContact CE1-CB 4.1Å; Y293-M326 HydrophobicContact CE1-CE 3.82Å; F295-M326 HydrophobicContact CD2-CE 3.8Å; F295-M326 HydrophobicContact CE2-CE 3.46Å; F295-M326 VanDerWaalsContact CE2-CE 3.46Å; F295-M326 HydrophobicContact CZ-CE 4.43Å; F319-M326 HydrophobicContact CE1-CE 4.29Å; F319-M326 HydrophobicContact CE1-SD 4.49Å; F319-M326 HydrophobicContact CZ-CG 4.32Å; F319-M326 HydrophobicContact CZ-SD 4.37Å; M326-Q329 PolarHBondContact O-N 2.96Å; M326-L330 WeakPolarHBondContact O-CB 3.33Å; M326-L330 PolarHBondContact O-N 3.4Å
327K98.9Very high98.8Very high4 Ų422.5 Ų22.52%0.01711%0.114CC..Hα-helixtrans-61.3-45.6173.7-68.918069176.50111.1I218 A221 I225 D291 Y293 T325 T331I218-K327 HydrophobicContact CG1-CB 4.18Å; I218-K327 WeakPolarHBondContact O-CE 3.4Å; I218-K327 PolarHBondContact O-NZ 3.14Å; A221-K327 HydrophobicContact CB-CB 3.99Å; A221-K327 HydrophobicContact CB-CG 4.04Å; I225-K327 HydrophobicContact CD1-CG 4.48Å; D291-K327 IonicContact OD1-NZ 3.63Å; D291-K327 PolarHBondContact OD1-NZ 2.92Å; D291-K327 IonicContact OD2-NZ 2.77Å; D291-K327 PolarHBondContact OD2-NZ 2.76Å; Y293-K327 HydrophobicContact CD1-CD 3.95Å; Y293-K327 HydrophobicContact CD1-CG 3.6Å; Y293-K327 HydrophobicContact CD2-CD 3.8Å; Y293-K327 HydrophobicContact CD2-CG 4.29Å; Y293-K327 HydrophobicContact CE1-CD 4.32Å; Y293-K327 HydrophobicContact CE1-CG 3.75Å; Y293-K327 HydrophobicContact CE2-CD 4.21Å; Y293-K327 HydrophobicContact CE2-CG 4.44Å; Y293-K327 HydrophobicContact CG-CD 3.64Å; Y293-K327 HydrophobicContact CG-CG 3.87Å; T325-K327 PolarHBondContact O-N 2.94Å; K327-T331 VanDerWaalsContact O-CB 3.29Å; K327-T331 WeakPolarHBondContact O-CB 3.43Å; K327-T331 PolarHBondContact O-N 2.99Å; K327-T331 PolarHBondContact O-OG1 3.45Å
328Q98.9Very high98.8Very high3 Ų324 Ų241%0.01412%0.124CC..Hα-helixtrans-65.5-41.7177.4-69.1174.9-40.600112I218 L287 W324 T325 H332I218-Q328 HydrophobicContact CD1-CG 3.97Å; L287-Q328 HydrophobicContact CB-CG 4.46Å; L287-Q328 HydrophobicContact CD2-CB 4.14Å; L287-Q328 HydrophobicContact CD2-CG 4.47Å; L287-Q328 WeakPolarHBondContact CD2-O 3.48Å; L287-Q328 WeakPolarHBondContact O-CG 3.3Å; L287-Q328 PolarHBondContact O-NE2 2.89Å; W324-Q328 HydrophobicContact CE3-CB 4.05Å; W324-Q328 HydrophobicContact CE3-CG 4.35Å; W324-Q328 VanDerWaalsContact CE3-OE1 3.29Å; T325-Q328 WeakPolarHBondContact O-CB 3.36Å; T325-Q328 PolarHBondContact O-N 2.85Å; T325-Q328 VanDerWaalsContact O-N 3.08Å; T325-Q328 WeakPolarHBondContact OG1-CG 3.42Å; T325-Q328 PolarHBondContact OG1-N 2.99Å; Q328-H332 WeakPolarHBondContact O-CB 3.43Å; Q328-H332 PolarHBondContact O-N 3.18Å
329Q98.9Very high98.8Very high3 Ų326.4 Ų26.41%0.01414%0.137CC..Hα-helixtrans-58.4-53.4176.2-72.4171.2-20.800111.2F127 S129 P156 T325 M326 H332 H333F127-Q329 HydrophobicContact CB-CG 4.39Å; F127-Q329 HydrophobicContact CD1-CB 4.21Å; F127-Q329 HydrophobicContact CD1-CG 3.81Å; F127-Q329 HydrophobicContact CD2-CB 4.01Å; F127-Q329 HydrophobicContact CD2-CG 3.98Å; F127-Q329 HydrophobicContact CE1-CB 3.91Å; F127-Q329 HydrophobicContact CE1-CG 4.01Å; F127-Q329 HydrophobicContact CE2-CB 3.72Å; F127-Q329 HydrophobicContact CE2-CG 4.19Å; F127-Q329 HydrophobicContact CG-CB 4.25Å; F127-Q329 HydrophobicContact CG-CG 3.78Å; F127-Q329 HydrophobicContact CZ-CB 3.66Å; F127-Q329 HydrophobicContact CZ-CG 4.19Å; F127-Q329 WeakPolarHBondContact CZ-O 3.28Å; S129-Q329 PolarHBondContact OG-NE2 2.88Å; P156-Q329 HydrophobicContact CB-CG 4.2Å; T325-Q329 WeakPolarHBondContact O-CG 3.49Å; T325-Q329 PolarHBondContact O-N 3.38Å; M326-Q329 PolarHBondContact O-N 2.96Å; Q329-H332 PolarHBondContact O-N 2.91Å; Q329-H333 WeakPolarHBondContact O-CB 3.44Å; Q329-H333 PolarHBondContact O-N 3.22Å
330L98.9Very high98.7Very high0 Ų026 Ų260%014%0.135CC..Hα-helixtrans-65.1-43.8-179.5-177.659.9000112.7F204 V206 I216 A221 H224 I225 M326 H332 H333 T334 V340 L346F204-L330 HydrophobicContact CE2-CB 4.4Å; F204-L330 HydrophobicContact CZ-CB 4.16Å; V206-L330 HydrophobicContact CG2-CD1 4.28Å; I216-L330 HydrophobicContact CD1-CD1 4.35Å; I216-L330 HydrophobicContact CD1-CD2 4.33Å; I216-L330 HydrophobicContact CD1-CG 4.31Å; A221-L330 HydrophobicContact CB-CD2 4.39Å; H224-L330 HydrophobicContact CB-CD2 3.66Å; I225-L330 HydrophobicContact CG1-CD2 3.99Å; M326-L330 WeakPolarHBondContact O-CB 3.33Å; M326-L330 PolarHBondContact O-N 3.4Å; L330-H332 VanDerWaalsContact C-N 3.34Å; L330-H332 PolarHBondContact O-N 3.39Å; L330-H333 PolarHBondContact O-N 2.86Å; L330-T334 HydrophobicContact CD1-CG2 4.33Å; L330-T334 PolarHBondContact O-N 3.49Å; L330-T334 VanDerWaalsContact O-N 3.11Å; L330-T334 PolarHBondContact O-OG1 3.27Å; L330-T334 VanDerWaalsContact O-OG1 3.06Å; L330-V340 HydrophobicContact CD1-CG1 4.09Å; L330-V340 HydrophobicContact CD1-CG2 4.27Å; L330-L346 HydrophobicContact CB-CD2 4.49Å; L330-L346 HydrophobicContact CD1-CD2 3.92Å
331T98.9Very high98.7Very high6 Ų628.2 Ų28.24%0.03714%0.142CC..Hα-helixtrans-64-39.5176.4-70.60000111.9I216 I218 Y286 K327 T334 S335I216-T331 PolarHBondContact O-OG1 3.5Å; I216-T331 VanDerWaalsContact O-OG1 3.11Å; I218-T331 WeakPolarHBondContact CA-OG1 3.35Å; I218-T331 HydrophobicContact CB-CG2 4.12Å; I218-T331 PolarHBondContact N-OG1 2.89Å; Y286-T331 HydrophobicContact CD2-CG2 3.92Å; Y286-T331 HydrophobicContact CE2-CG2 4.48Å; Y286-T331 WeakPolarHBondContact O-CG2 3.45Å; K327-T331 VanDerWaalsContact O-CB 3.29Å; K327-T331 WeakPolarHBondContact O-CB 3.43Å; K327-T331 PolarHBondContact O-N 2.99Å; K327-T331 PolarHBondContact O-OG1 3.45Å; T331-T334 PolarHBondContact O-OG1 2.95Å; T331-S335 WeakPolarHBondContact O-CB 3.25Å; T331-S335 PolarHBondContact O-N 2.95Å
332H98.9Very high98.7Very high44 Ų4426.1 Ų26.120%0.20414%0.138CC..Hα-helixtrans-64-45174.3-172.954.8000111.7P156 Y286 L287 Q328 Q329 L330 T334 S335P156-H332 HydrophobicContact CG-CB 3.41Å; P156-H332 VanDerWaalsContact CG-CB 3.41Å; P156-H332 PolarHBondContact O-CD2 3.41Å; Y286-H332 AromaticContact CZ-ND1 3.87Å; Y286-H332 PolarHBondContact OH-CE1 3.42Å; Y286-H332 PolarHBondContact OH-ND1 2.89Å; L287-H332 HydrophobicContact CD2-CB 4.06Å; Q328-H332 WeakPolarHBondContact O-CB 3.43Å; Q328-H332 PolarHBondContact O-N 3.18Å; Q329-H332 PolarHBondContact O-N 2.91Å; L330-H332 VanDerWaalsContact C-N 3.34Å; L330-H332 PolarHBondContact O-N 3.39Å; H332-T334 PolarHBondContact O-N 2.93Å; H332-S335 WeakPolarHBondContact O-CB 3.36Å; H332-S335 PolarHBondContact O-N 3.37Å; H332-S335 VanDerWaalsContact O-N 3.09Å; H332-S335 PolarHBondContact O-OG 3.24Å
333H98.9Very high98.7Very high29 Ų2925.8 Ų25.813%0.13414%0.136CC..Hα-helixtrans-58-38-177.9-159.1170.2000111.8T125 F127 Q329 L330 C338T125-H333 VanDerWaalsContact CB-CE1 3.49Å; T125-H333 WeakPolarHBondContact CB-CE1 3.36Å; T125-H333 PolarHBondContact OG1-CE1 3.23Å; T125-H333 PolarHBondContact OG1-NE2 3.13Å; F127-H333 HydrophobicContact CZ-CB 4.23Å; Q329-H333 WeakPolarHBondContact O-CB 3.44Å; Q329-H333 PolarHBondContact O-N 3.22Å; L330-H333 PolarHBondContact O-N 2.86Å; H333-C338 WeakPolarHBondContact O-CB 3.36Å
334T98.8Very high98.7Very high0 Ų025.4 Ų25.40%014%0.135CC..Hα-helixtrans-94.6-3.4-179.261.10000113.9P215 I216 L330 T331 H332 N336 G337 C338 V340P215-T334 WeakPolarHBondContact CA-O 3.31Å; P215-T334 WeakPolarHBondContact CB-O 3.39Å; I216-T334 HydrophobicContact CD1-CG2 3.96Å; I216-T334 HydrophobicContact CG1-CG2 4.14Å; I216-T334 PolarHBondContact N-OG1 2.78Å; I216-T334 VanDerWaalsContact N-OG1 3.07Å; L330-T334 HydrophobicContact CD1-CG2 4.33Å; L330-T334 PolarHBondContact O-N 3.49Å; L330-T334 VanDerWaalsContact O-N 3.11Å; L330-T334 PolarHBondContact O-OG1 3.27Å; L330-T334 VanDerWaalsContact O-OG1 3.06Å; T331-T334 PolarHBondContact O-OG1 2.95Å; H332-T334 PolarHBondContact O-N 2.93Å; T334-N336 PolarHBondContact O-N 2.92Å; T334-N336 VanDerWaalsContact O-N 3.08Å; T334-G337 PolarHBondContact O-N 3.35Å; T334-C338 WeakPolarHBondContact CG2-O 3.41Å; T334-V340 HydrophobicContact CG2-CG1 3.81Å; T334-V340 HydrophobicContact CG2-CG2 4.17Å
335S98.8Very high98.7Very high50 Ų5025.3 Ų25.335%0.3514%0.135SC..THydrogen-bonded Turntrans-62.1-22.3-173.662.70000114.9T331 H332T331-S335 WeakPolarHBondContact O-CB 3.25Å; T331-S335 PolarHBondContact O-N 2.95Å; H332-S335 WeakPolarHBondContact O-CB 3.36Å; H332-S335 PolarHBondContact O-N 3.37Å; H332-S335 VanDerWaalsContact O-N 3.09Å; H332-S335 PolarHBondContact O-OG 3.24Å
336N98.6Very high98.7Very high133 Ų13325 Ų2571%0.71113%0.133SC*.THydrogen-bonded Turntrans-93.65.6175.669.8-12.5000113.4T334 C338T334-N336 PolarHBondContact O-N 2.92Å; T334-N336 VanDerWaalsContact O-N 3.08Å; N336-C338 WeakPolarHBondContact OD1-CB 3.49Å; N336-C338 PolarHBondContact OD1-N 2.94Å
337G98.4Very high98.7Very high6 Ų624.9 Ų24.96%0.06213%0.132CC..SBendtrans86.48.5-173.400000114.6L212 G213 T334 N339L212-G337 WeakPolarHBondContact CD1-O 3.39Å; G213-G337 PolarHBondContact N-O 3.08Å; T334-G337 PolarHBondContact O-N 3.35Å; G337-N339 PolarHBondContact O-N 3.28Å
338C98.6Very high98.7Very high39 Ų3924.8 Ų24.826%0.26413%0.132SC..  trans-56.2126.3168.7-173.50000109.5H333 T334 N336H333-C338 WeakPolarHBondContact O-CB 3.36Å; T334-C338 WeakPolarHBondContact CG2-O 3.41Å; N336-C338 WeakPolarHBondContact OD1-CB 3.49Å; N336-C338 PolarHBondContact OD1-N 2.94Å
339N97.8Very high98.7Very high57 Ų5724.7 Ų24.731%0.30513%0.132SC..  trans-80.414017263.2-63.1000110.1L212 G337L212-N339 HydrophobicContact CB-CB 4.17Å; L212-N339 WeakPolarHBondContact CD1-OD1 3.37Å; G337-N339 PolarHBondContact O-N 3.28Å
340V98.4Very high98.7Very high3 Ų324.6 Ų24.62%0.01813%0.132CC..  trans-104.8160.5166.3-67.80000109.3V206 S210 I216 L330 T334 D344V206-V340 HydrophobicContact CG1-CB 3.95Å; V206-V340 HydrophobicContact CG1-CG2 3.68Å; V206-V340 HydrophobicContact CG2-CB 4.44Å; S210-V340 WeakPolarHBondContact CB-O 3.45Å; S210-V340 PolarHBondContact OG-N 3.28Å; I216-V340 HydrophobicContact CD1-CG2 3.73Å; L330-V340 HydrophobicContact CD1-CG1 4.09Å; L330-V340 HydrophobicContact CD1-CG2 4.27Å; T334-V340 HydrophobicContact CG2-CG1 3.81Å; T334-V340 HydrophobicContact CG2-CG2 4.17Å; V340-D344 WeakPolarHBondContact CA-OD2 3.26Å
341R98.5Very high98.7Very high107 Ų10724.6 Ų24.640%0.40413%0.132SC..  trans-129.3150.7-176.1-62.6178.3-69.2170.5-4111.3G122 D123 G343 D344G122-R341 VanDerWaalsContact C-NH2 3.31Å; G122-R341 VanDerWaalsContact CA-NH2 3.33Å; D123-R341 IonicContact OD2-CZ 2.74Å; D123-R341 IonicContact OD2-NE 3.64Å; D123-R341 IonicContact OD2-NH2 3.96Å; D123-R341 PolarHBondContact OD2-NH2 2.85Å; R341-G343 PolarHBondContact O-N 2.91Å; R341-G343 VanDerWaalsContact O-N 3.14Å; R341-D344 PolarHBondContact N-OD2 3.27Å; R341-D344 IonicContact NE-OD1 3.01Å; R341-D344 WeakPolarHBondContact O-CB 3.49Å; R341-D344 PolarHBondContact O-N 3.4Å
342P98.7Very high98.7Very high34 Ų3424.3 Ų24.322%0.22113%0.13CC..THydrogen-bonded Turntrans-52.6119.6171.1-27.334.6000111.8N68 M71 V206 G208N68-P342 PolarHBondContact ND2-O 3.19Å; M71-P342 HydrophobicContact CB-CB 4.16Å; V206-P342 WeakPolarHBondContact O-CA 3.33Å; G208-P342 WeakPolarHBondContact O-CG 3.35Å
343G98.6Very high98.7Very high0 Ų022.2 Ų22.20%012%0.12CC..THydrogen-bonded Turntrans96.4-5.4-176.700000115.4F205 V206 R341F205-G343 WeakPolarHBondContact CD1-O 3.44Å; V206-G343 PolarHBondContact O-N 3.47Å; R341-G343 PolarHBondContact O-N 2.91Å; R341-G343 VanDerWaalsContact O-N 3.14Å
344D98.9Very high98.5Very high4 Ų424.3 Ų24.32%0.02114%0.136CC..  trans-59.4144.5167.1-72.5-11.7000109.9D123 F205 V206 V340 R341 L346D123-D344 PolarHBondContact N-OD1 2.82Å; D123-D344 WeakPolarHBondContact O-CA 3.32Å; F205-D344 WeakPolarHBondContact CA-O 3.21Å; V206-D344 HydrophobicContact CB-CB 4.22Å; V206-D344 HydrophobicContact CG2-CB 4.14Å; V206-D344 PolarHBondContact N-O 3.19Å; V340-D344 WeakPolarHBondContact CA-OD2 3.26Å; R341-D344 PolarHBondContact N-OD2 3.27Å; R341-D344 IonicContact NE-OD1 3.01Å; R341-D344 WeakPolarHBondContact O-CB 3.49Å; R341-D344 PolarHBondContact O-N 3.4Å; D344-L346 HydrophobicContact CB-CD1 4.4Å
345L98.9Very high98.4Very high0 Ų029.1 Ų29.10%016%0.162CC..EExtended strand (participates in β ladder)trans-116.6121.6-173.8-171.569.6000110.2V121 D123 Y124 T125 L166 A203 F205 V229 M231 I259V121-L345 HydrophobicContact CG1-CB 3.88Å; V121-L345 HydrophobicContact CG2-CB 4.37Å; D123-L345 PolarHBondContact O-N 2.85Å; Y124-L345 WeakPolarHBondContact CA-O 3.47Å; Y124-L345 WeakPolarHBondContact CD2-O 2.97Å; T125-L345 PolarHBondContact N-O 2.86Å; L166-L345 HydrophobicContact CD1-CD2 3.91Å; L166-L345 HydrophobicContact CD2-CD2 3.95Å; A203-L345 HydrophobicContact CB-CD1 3.6Å; A203-L345 HydrophobicContact CB-CD2 4.25Å; A203-L345 HydrophobicContact CB-CG 3.83Å; F205-L345 HydrophobicContact CD1-CD1 4.04Å; F205-L345 HydrophobicContact CD2-CD1 4.04Å; F205-L345 HydrophobicContact CE1-CB 4.4Å; F205-L345 HydrophobicContact CE1-CD1 3.86Å; F205-L345 HydrophobicContact CE2-CD1 3.85Å; F205-L345 HydrophobicContact CG-CD1 4.14Å; F205-L345 HydrophobicContact CZ-CD1 3.76Å; V229-L345 HydrophobicContact CG2-CD1 4.23Å; M231-L345 HydrophobicContact SD-CD2 4.22Å; I259-L345 HydrophobicContact CG2-CD2 4.03Å
346L98.9Very high98.3Very high1 Ų130.7 Ų30.71%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-114.7112.7178-81.559.9000108.7T125 F127 A203 F204 V206 L330 D344T125-L346 CarbonylContact O-C 3.58Å; T125-L346 WeakPolarHBondContact O-CA 3.45Å; F127-L346 HydrophobicContact CE2-CB 4.22Å; F127-L346 HydrophobicContact CE2-CD2 4.01Å; F127-L346 HydrophobicContact CE2-CG 4.03Å; A203-L346 CarbonylContact C-O 3.58Å; A203-L346 VanDerWaalsContact CA-O 3.27Å; A203-L346 WeakPolarHBondContact CA-O 3.35Å; F204-L346 HydrophobicContact CD1-CB 4.04Å; F204-L346 VanDerWaalsContact CD1-O 3.31Å; F204-L346 WeakPolarHBondContact CD1-O 3.43Å; F204-L346 HydrophobicContact CD2-CB 4.32Å; F204-L346 HydrophobicContact CE1-CB 3.5Å; F204-L346 HydrophobicContact CE1-CD2 4.24Å; F204-L346 HydrophobicContact CE2-CB 3.83Å; F204-L346 HydrophobicContact CE2-CD2 3.75Å; F204-L346 HydrophobicContact CE2-CG 4.33Å; F204-L346 HydrophobicContact CG-CB 4.44Å; F204-L346 HydrophobicContact CZ-CB 3.41Å; F204-L346 VanDerWaalsContact CZ-CB 3.41Å; F204-L346 HydrophobicContact CZ-CD2 3.36Å; F204-L346 HydrophobicContact CZ-CG 4.02Å; F204-L346 PolarHBondContact N-O 2.94Å; F204-L346 PolarHBondContact O-N 3.1Å; V206-L346 HydrophobicContact CG2-CD1 3.8Å; L330-L346 HydrophobicContact CB-CD2 4.49Å; L330-L346 HydrophobicContact CD1-CD2 3.92Å; D344-L346 HydrophobicContact CB-CD1 4.4Å
347A98.9Very high98.3Very high0 Ų026.7 Ų26.70%016%0.161CC..EExtended strand (participates in β ladder)trans-93.3153.8-179.100000112Y124 T125 F127 E201 A203 M231 G349Y124-A347 HydrophobicContact CE2-CB 3.71Å; T125-A347 PolarHBondContact O-N 2.84Å; F127-A347 VanDerWaalsContact CB-O 3.31Å; F127-A347 WeakPolarHBondContact CB-O 3.4Å; F127-A347 WeakPolarHBondContact CD2-O 3.44Å; F127-A347 PolarHBondContact N-O 2.82Å; E201-A347 WeakPolarHBondContact OE2-CB 3.22Å; A203-A347 HydrophobicContact CB-CB 3.89Å; M231-A347 HydrophobicContact CE-CB 3.58Å; M231-A347 HydrophobicContact SD-CB 3.67Å; A347-G349 VanDerWaalsContact C-N 3.31Å; A347-G349 PolarHBondContact O-N 3.2Å
348S98.9Very high98.3Very high2 Ų226.6 Ų26.61%0.01416%0.159CC..  trans-75.4-20.8-16966.10000114S129 M202 M322S129-S348 WeakPolarHBondContact CB-O 3.35Å; S129-S348 PolarHBondContact N-O 3.11Å; S129-S348 VanDerWaalsContact N-O 3.16Å; M202-S348 PolarHBondContact N-OG 3.32Å; M202-S348 VanDerWaalsContact O-CB 3.28Å; M202-S348 WeakPolarHBondContact O-CB 3.47Å; M202-S348 PolarHBondContact O-N 2.9Å; M202-S348 PolarHBondContact O-OG 2.93Å; M322-S348 WeakPolarHBondContact CE-O 3.36Å
349G98.8Very high98.3Very high1 Ų125.6 Ų25.61%0.0115%0.151CC..  trans77.2157.6-153.400000111.1D126 F127 E201 A347 I351D126-G349 PolarHBondContact OD1-N 3.17Å; F127-G349 WeakPolarHBondContact O-CA 3.16Å; F127-G349 PolarHBondContact O-N 3.41Å; E201-G349 VanDerWaalsContact OE1-CA 3.27Å; E201-G349 WeakPolarHBondContact OE1-CA 3.46Å; E201-G349 VanDerWaalsContact OE2-CA 3.26Å; E201-G349 WeakPolarHBondContact OE2-CA 3.2Å; E201-G349 PolarHBondContact OE2-N 3.34Å; A347-G349 VanDerWaalsContact C-N 3.31Å; A347-G349 PolarHBondContact O-N 3.2Å; G349-I351 PolarHBondContact O-N 3.1Å
350T98.9Very high98.3Very high1 Ų122.9 Ų22.91%0.00614%0.136CC..  trans-47.3126.5-178.7-580000112.6S130 H133 E199 L200 E201 S352S130-T350 WeakPolarHBondContact CB-O 3.34Å; H133-T350 WeakPolarHBondContact CB-O 3.43Å; H133-T350 VanDerWaalsContact CE1-CB 3.42Å; H133-T350 WeakPolarHBondContact CE1-CB 3.36Å; H133-T350 WeakPolarHBondContact ND1-CB 3.42Å; H133-T350 WeakPolarHBondContact ND1-CG2 3.5Å; E199-T350 HydrophobicContact CB-CG2 4.48Å; E199-T350 VanDerWaalsContact CB-OG1 3.27Å; E199-T350 WeakPolarHBondContact CB-OG1 3.45Å; E199-T350 WeakPolarHBondContact CG-OG1 3.47Å; E199-T350 PolarHBondContact OE2-OG1 2.91Å; L200-T350 CarbonylContact O-C 3.55Å; L200-T350 WeakPolarHBondContact O-CA 3.33Å; E201-T350 PolarHBondContact OE1-N 3.32Å; T350-S352 PolarHBondContact O-N 3.27Å
351I98.9Very high98.4Very high0 Ų022.8 Ų22.80%014%0.135CC..  trans-92.397.9-177-55.1161.7000109.7L200 M202 L299 S317 F319 M322 G349 G360L200-I351 HydrophobicContact CG-CB 4.35Å; L200-I351 PolarHBondContact O-N 3.33Å; M202-I351 HydrophobicContact CB-CD1 4.27Å; M202-I351 HydrophobicContact CG-CD1 3.89Å; L299-I351 HydrophobicContact CD1-CD1 3.53Å; L299-I351 HydrophobicContact CD1-CG2 4.23Å; S317-I351 PolarHBondContact OG-O 3.13Å; F319-I351 HydrophobicContact CD2-CD1 3.71Å; F319-I351 HydrophobicContact CD2-CG1 4.37Å; F319-I351 HydrophobicContact CE2-CD1 4.3Å; M322-I351 HydrophobicContact CE-CG1 4.26Å; M322-I351 HydrophobicContact SD-CB 4.23Å; M322-I351 HydrophobicContact SD-CG1 3.79Å; M322-I351 HydrophobicContact SD-CG2 4.07Å; G349-I351 PolarHBondContact O-N 3.1Å; I351-G360 WeakPolarHBondContact O-CA 3.41Å
352S98.9Very high98.4Very high0 Ų017.7 Ų17.70%012%0.116CC..  trans-105.3138.5167.5-65.90000111.1S130 T350 S358 G360 E364S130-S352 PolarHBondContact OG-N 3.35Å; S130-S352 PolarHBondContact OG-O 3.09Å; T350-S352 PolarHBondContact O-N 3.27Å; S352-S358 WeakPolarHBondContact CA-O 3.46Å; S352-G360 PolarHBondContact OG-N 2.86Å; S352-E364 WeakPolarHBondContact CB-OE1 3.2Å; S352-E364 PolarHBondContact OG-OE1 3.4Å; S352-E364 PolarHBondContact OG-OE2 2.99Å; S352-E364 VanDerWaalsContact OG-OE2 3.06Å
353G97.7Very high98.4Very high0 Ų016.4 Ų16.40%011%0.107CC..  trans-97.5-179167.600000112.9Y321 N355 S358Y321-G353 VanDerWaalsContact CD2-CA 3.42Å; G353-N355 PolarHBondContact O-N 3.31Å; G353-S358 VanDerWaalsContact CA-OG 3.22Å; G353-S358 WeakPolarHBondContact CA-OG 3.21Å; G353-S358 PolarHBondContact N-O 2.96Å; G353-S358 PolarHBondContact O-OG 3.28Å
354P96.6Very high98.4Very high72 Ų7216.5 Ų16.547%0.46811%0.108SC..SBendtrans-71.4-17.4-173.128.2-36.1000114Y321Y321-P354 HydrophobicContact CE1-CG 4.44Å
355N96.4Very high98.4Very high101 Ų10117.6 Ų17.654%0.5411%0.114SC..SBendtrans-99.2144.4-177.1-65.6-46000110.9G353 G357 S358 F359G353-N355 PolarHBondContact O-N 3.31Å; N355-G357 PolarHBondContact O-N 2.83Å; N355-G357 VanDerWaalsContact O-N 3.14Å; N355-S358 PolarHBondContact N-OG 3.2Å; N355-S358 WeakPolarHBondContact O-CA 3.46Å; N355-S358 WeakPolarHBondContact O-CB 3.44Å; N355-S358 PolarHBondContact O-N 2.87Å; N355-S358 PolarHBondContact O-OG 2.84Å; N355-F359 WeakPolarHBondContact O-CD1 3.5Å
356P96.8Very high98.4Very high84 Ų8417.6 Ų17.655%0.54511%0.114SC..G310 helixtrans-56.5-33.7178.8-28.235.8000114.9S358 F359 L365P356-S358 PolarHBondContact O-N 3.28Å; P356-F359 HydrophobicContact CB-CD2 4.46Å; P356-F359 HydrophobicContact CB-CE2 4.11Å; P356-F359 HydrophobicContact CB-CZ 4.34Å; P356-F359 HydrophobicContact CG-CZ 4.38Å; P356-F359 WeakPolarHBondContact O-CG 3.33Å; P356-F359 PolarHBondContact O-N 3.46Å; P356-L365 VanDerWaalsContact O-CD2 3.28Å; P356-L365 WeakPolarHBondContact O-CD2 3.35Å
357G97Very high98.3Very high48 Ų4820.8 Ų20.850%0.49513%0.126SC..G310 helixtrans-72.4-3.2175.100000114.7C315 S316 N355C315-G357 WeakPolarHBondContact CA-O 3.25Å; S316-G357 PolarHBondContact N-O 3.43Å; N355-G357 PolarHBondContact O-N 2.83Å; N355-G357 VanDerWaalsContact O-N 3.14Å
358S98.4Very high98.2Very high4 Ų427 Ų273%0.02815%0.149CC..G310 helixtrans-111.812.3177.664.20000112.9S316 S317 S352 G353 N355 P356S316-S358 VanDerWaalsContact O-CA 3.29Å; S316-S358 WeakPolarHBondContact O-CA 3.34Å; S316-S358 WeakPolarHBondContact O-CB 3.31Å; S317-S358 PolarHBondContact OG-O 3.01Å; S352-S358 WeakPolarHBondContact CA-O 3.46Å; G353-S358 VanDerWaalsContact CA-OG 3.22Å; G353-S358 WeakPolarHBondContact CA-OG 3.21Å; G353-S358 PolarHBondContact N-O 2.96Å; G353-S358 PolarHBondContact O-OG 3.28Å; N355-S358 PolarHBondContact N-OG 3.2Å; N355-S358 WeakPolarHBondContact O-CA 3.46Å; N355-S358 WeakPolarHBondContact O-CB 3.44Å; N355-S358 PolarHBondContact O-N 2.87Å; N355-S358 PolarHBondContact O-OG 2.84Å; P356-S358 PolarHBondContact O-N 3.28Å
359F98.9Very high98.1Very high19 Ų1928.5 Ų28.58%0.08316%0.164CC..  trans-74.6131.8176.9-66.9-12.1000111.2N136 C315 N355 P356 S361 E364 L365 W367N136-F359 VanDerWaalsContact ND2-CE1 3.25Å; N136-F359 WeakPolarHBondContact ND2-CE1 3.48Å; N136-F359 WeakPolarHBondContact ND2-CZ 3.42Å; C315-F359 PolarHBondContact SG-O 3.49Å; N355-F359 WeakPolarHBondContact O-CD1 3.5Å; P356-F359 HydrophobicContact CB-CD2 4.46Å; P356-F359 HydrophobicContact CB-CE2 4.11Å; P356-F359 HydrophobicContact CB-CZ 4.34Å; P356-F359 HydrophobicContact CG-CZ 4.38Å; P356-F359 WeakPolarHBondContact O-CG 3.33Å; P356-F359 PolarHBondContact O-N 3.46Å; F359-S361 VanDerWaalsContact C-N 3.34Å; F359-S361 PolarHBondContact O-N 3.16Å; F359-E364 HydrophobicContact CB-CB 3.59Å; F359-E364 HydrophobicContact CD2-CB 3.72Å; F359-E364 HydrophobicContact CG-CB 3.9Å; F359-L365 HydrophobicContact CB-CD2 3.99Å; F359-L365 HydrophobicContact CB-CG 4.18Å; F359-W367 HydrophobicContact CE2-CZ3 4.38Å
360G98.8Very high98.1Very high0 Ų032.6 Ų32.60%019%0.193CC..SBendtrans-82.8-0.4-168.300000115.6I198 L200 I351 S352I198-G360 WeakPolarHBondContact CD1-O 3.11Å; L200-G360 WeakPolarHBondContact CB-O 3.45Å; L200-G360 PolarHBondContact N-O 3.39Å; I351-G360 WeakPolarHBondContact O-CA 3.41Å; S352-G360 PolarHBondContact OG-N 2.86Å
361S98.9Very high98Very high0 Ų038.3 Ų38.30%022%0.218CC..SBendtrans-137.6154.5179.266.60000112.2I198 F359 L363 E364 L365I198-S361 WeakPolarHBondContact O-CA 3.32Å; I198-S361 VanDerWaalsContact O-CB 3.32Å; I198-S361 WeakPolarHBondContact O-CB 3.37Å; F359-S361 VanDerWaalsContact C-N 3.34Å; F359-S361 PolarHBondContact O-N 3.16Å; S361-L363 VanDerWaalsContact C-N 3.26Å; S361-L363 PolarHBondContact O-N 3.42Å; S361-E364 PolarHBondContact N-OE2 3.29Å; S361-E364 PolarHBondContact O-N 2.93Å; S361-E364 WeakPolarHBondContact OG-CB 3.48Å; S361-E364 VanDerWaalsContact OG-CG 3.24Å; S361-E364 WeakPolarHBondContact OG-CG 3.23Å; S361-E364 PolarHBondContact OG-N 2.9Å; S361-E364 PolarHBondContact OG-OE2 2.61Å; S361-L365 VanDerWaalsContact O-CG 3.29Å; S361-L365 WeakPolarHBondContact O-CG 3.42Å; S361-L365 PolarHBondContact O-N 3.28Å
362M98.9Very high98Very high0 Ų042.3 Ų42.30%025%0.246CC..Hα-helixtrans-70.7-26172.7-51.2178.466.200111.4D197 I198 L303 I314 E364 S366 I373 R381 T382 L384D197-M362 VanDerWaalsContact OD1-CA 3.27Å; D197-M362 WeakPolarHBondContact OD1-CA 3.39Å; D197-M362 WeakPolarHBondContact OD1-CB 3.41Å; D197-M362 WeakPolarHBondContact OD1-CG 3.19Å; D197-M362 PolarHBondContact OD1-N 2.78Å; I198-M362 HydrophobicContact CG1-CG 4.03Å; L303-M362 HydrophobicContact CD1-CE 4.01Å; L303-M362 HydrophobicContact CD1-SD 4.39Å; I314-M362 HydrophobicContact CD1-CG 4.41Å; M362-E364 VanDerWaalsContact C-N 3.25Å; M362-E364 PolarHBondContact O-N 2.96Å; M362-S366 WeakPolarHBondContact O-CB 3.38Å; M362-S366 PolarHBondContact O-N 3.47Å; M362-S366 PolarHBondContact O-OG 3.37Å; M362-I373 HydrophobicContact CB-CD1 3.92Å; M362-I373 HydrophobicContact CE-CD1 3.81Å; M362-I373 HydrophobicContact CG-CD1 4.17Å; M362-R381 HydrophobicContact CE-CB 3.61Å; M362-R381 HydrophobicContact CE-CG 4.24Å; M362-T382 WeakPolarHBondContact CB-O 3.39Å; M362-L384 HydrophobicContact CE-CD2 4.43Å; M362-L384 HydrophobicContact SD-CD2 3.48Å; M362-L384 WeakPolarHBondContact SD-CD2 3.42Å; M362-L384 HydrophobicContact SD-CG 3.6Å; M362-L384 VanDerWaalsContact SD-CG 3.6Å
363L98.8Very high97.9Very high7 Ų743.1 Ų43.14%0.03725%0.25CC..Hα-helixtrans-50.8-48.6166.5173.667.2000110.8V137 M140 D197 S361 W367 R368 F383V137-L363 HydrophobicContact CG2-CD2 4.3Å; M140-L363 WeakPolarHBondContact CE-O 3.29Å; M140-L363 HydrophobicContact SD-CD1 3.99Å; M140-L363 HydrophobicContact SD-CG 4.03Å; D197-L363 WeakPolarHBondContact OD2-CB 3.15Å; D197-L363 PolarHBondContact OD2-N 2.96Å; S361-L363 VanDerWaalsContact C-N 3.26Å; S361-L363 PolarHBondContact O-N 3.42Å; L363-W367 CarbonylContact O-C 3.56Å; L363-W367 WeakPolarHBondContact O-CA 3.2Å; L363-W367 PolarHBondContact O-N 3.48Å; L363-W367 VanDerWaalsContact O-N 3.12Å; L363-R368 HydrophobicContact CD1-CB 4.11Å; L363-R368 HydrophobicContact CD1-CG 4.08Å; L363-R368 PolarHBondContact O-N 3.11Å; L363-F383 HydrophobicContact CB-CE1 4.34Å; L363-F383 HydrophobicContact CD1-CZ 4.28Å
364E98.8Very high97.9Very high2 Ų248.3 Ų48.31%0.00928%0.278CS..Hα-helixtrans-74.1-49.4179.4-69.4167.993.900112.9H133 N136 M140 S352 F359 S361 M362 S366 W367H133-E364 WeakPolarHBondContact CA-OE1 3.16Å; H133-E364 IonicContact CE1-OE2 3.92Å; H133-E364 PolarHBondContact CE1-OE2 3.49Å; H133-E364 IonicContact CG-OE2 3.88Å; H133-E364 IonicContact ND1-OE1 3.62Å; H133-E364 PolarHBondContact ND1-OE1 3.44Å; H133-E364 IonicContact ND1-OE2 3.86Å; H133-E364 PolarHBondContact ND1-OE2 2.99Å; N136-E364 HydrophobicContact CB-CG 3.98Å; N136-E364 PolarHBondContact ND2-OE1 2.88Å; M140-E364 HydrophobicContact CE-CG 4.5Å; S352-E364 WeakPolarHBondContact CB-OE1 3.2Å; S352-E364 PolarHBondContact OG-OE1 3.4Å; S352-E364 PolarHBondContact OG-OE2 2.99Å; S352-E364 VanDerWaalsContact OG-OE2 3.06Å; F359-E364 HydrophobicContact CB-CB 3.59Å; F359-E364 HydrophobicContact CD2-CB 3.72Å; F359-E364 HydrophobicContact CG-CB 3.9Å; S361-E364 PolarHBondContact N-OE2 3.29Å; S361-E364 PolarHBondContact O-N 2.93Å; S361-E364 WeakPolarHBondContact OG-CB 3.48Å; S361-E364 VanDerWaalsContact OG-CG 3.24Å; S361-E364 WeakPolarHBondContact OG-CG 3.23Å; S361-E364 PolarHBondContact OG-N 2.9Å; S361-E364 PolarHBondContact OG-OE2 2.61Å; M362-E364 VanDerWaalsContact C-N 3.25Å; M362-E364 PolarHBondContact O-N 2.96Å; E364-S366 VanDerWaalsContact C-N 3.3Å; E364-S366 PolarHBondContact O-N 3.41Å; E364-W367 PolarHBondContact O-N 3.06Å
365L98.7Very high97.8Very high28 Ų2844.9 Ų44.915%0.14726%0.255CS..Hα-helixtrans-59-41.5-178.8-68166.4000111.9I314 P356 F359 S361 W367 I373I314-L365 HydrophobicContact CB-CD1 4.4Å; I314-L365 HydrophobicContact CD1-CD1 4.27Å; I314-L365 HydrophobicContact CG1-CD1 4.42Å; I314-L365 WeakPolarHBondContact O-CD2 3.39Å; P356-L365 VanDerWaalsContact O-CD2 3.28Å; P356-L365 WeakPolarHBondContact O-CD2 3.35Å; F359-L365 HydrophobicContact CB-CD2 3.99Å; F359-L365 HydrophobicContact CB-CG 4.18Å; S361-L365 VanDerWaalsContact O-CG 3.29Å; S361-L365 WeakPolarHBondContact O-CG 3.42Å; S361-L365 PolarHBondContact O-N 3.28Å; L365-W367 VanDerWaalsContact C-N 3.32Å; L365-I373 HydrophobicContact CB-CD1 3.64Å; L365-I373 HydrophobicContact CB-CG1 3.9Å; L365-I373 HydrophobicContact CD1-CD1 4.32Å
366S98.6Very high97.6Very high0 Ų041.6 Ų41.60%025%0.245CC..THydrogen-bonded Turntrans-86-2.517675.80000113.6M362 E364 R368 G369 S370 K371 T382M362-S366 WeakPolarHBondContact O-CB 3.38Å; M362-S366 PolarHBondContact O-N 3.47Å; M362-S366 PolarHBondContact O-OG 3.37Å; E364-S366 VanDerWaalsContact C-N 3.3Å; E364-S366 PolarHBondContact O-N 3.41Å; S366-R368 PolarHBondContact O-N 3.1Å; S366-G369 CarbonylContact O-C 3.51Å; S366-G369 WeakPolarHBondContact O-CA 3.41Å; S366-G369 PolarHBondContact O-N 3.03Å; S366-G369 PolarHBondContact OG-N 3.48Å; S366-S370 PolarHBondContact O-N 3.24Å; S366-K371 WeakPolarHBondContact CA-O 3.14Å; S366-K371 VanDerWaalsContact CB-O 3.3Å; S366-K371 WeakPolarHBondContact CB-O 3.46Å; S366-K371 PolarHBondContact O-N 2.93Å; S366-T382 WeakPolarHBondContact CB-O 2.89Å; S366-T382 PolarHBondContact OG-O 2.67Å
367W98.3Very high97.2Very high68 Ų6841.7 Ų41.726%0.25826%0.261SS..THydrogen-bonded Turntrans47.160.8-174.9-158.4-100.9000112.5N136 I139 M140 F359 L363 E364 L365 G369 S370 K371N136-W367 HydrophobicContact CB-CZ3 4.33Å; I139-W367 HydrophobicContact CB-CH2 4.32Å; I139-W367 HydrophobicContact CB-CZ2 4.33Å; I139-W367 HydrophobicContact CD1-CH2 4.42Å; I139-W367 HydrophobicContact CG2-CH2 4.14Å; I139-W367 HydrophobicContact CG2-CZ2 3.71Å; M140-W367 HydrophobicContact CE-CB 4.49Å; M140-W367 HydrophobicContact CE-CD2 3.6Å; M140-W367 HydrophobicContact CE-CE3 3.31Å; M140-W367 HydrophobicContact CE-CG 4.15Å; M140-W367 HydrophobicContact CE-CH2 4.21Å; M140-W367 HydrophobicContact CE-CZ2 4.46Å; M140-W367 HydrophobicContact CE-CZ3 3.64Å; M140-W367 HydrophobicContact CG-CZ2 4.27Å; F359-W367 HydrophobicContact CE2-CZ3 4.38Å; L363-W367 CarbonylContact O-C 3.56Å; L363-W367 WeakPolarHBondContact O-CA 3.2Å; L363-W367 PolarHBondContact O-N 3.48Å; L363-W367 VanDerWaalsContact O-N 3.12Å; E364-W367 PolarHBondContact O-N 3.06Å; L365-W367 VanDerWaalsContact C-N 3.32Å; W367-G369 VanDerWaalsContact C-N 3.26Å; W367-G369 PolarHBondContact O-N 3.07Å; W367-S370 WeakPolarHBondContact O-CB 3.4Å; W367-S370 PolarHBondContact O-N 2.68Å; W367-S370 VanDerWaalsContact O-N 3.15Å; W367-S370 PolarHBondContact O-OG 2.71Å; W367-K371 HydrophobicContact CB-CD 3.93Å; W367-K371 HydrophobicContact CB-CG 4.08Å
368R96.4Very high96.9Very high131 Ų13143.2 Ų43.249%0.49428%0.277SS..THydrogen-bonded Turntrans5638.8-174.6-160.1178.9174-168.7-2.9112.9M140 L363 S366 S370M140-R368 PolarHBondContact O-NH1 3.09Å; M140-R368 HydrophobicContact SD-CB 3.88Å; L363-R368 HydrophobicContact CD1-CB 4.11Å; L363-R368 HydrophobicContact CD1-CG 4.08Å; L363-R368 PolarHBondContact O-N 3.11Å; S366-R368 PolarHBondContact O-N 3.1Å; R368-S370 VanDerWaalsContact C-N 3.27Å; R368-S370 PolarHBondContact O-N 3.29Å
369G97.4Very high96.7Very high32 Ų3246.7 Ų46.733%0.3329%0.292SS..THydrogen-bonded Turntrans74.46.3-179.700000115.7S366 W367 K371S366-G369 CarbonylContact O-C 3.51Å; S366-G369 WeakPolarHBondContact O-CA 3.41Å; S366-G369 PolarHBondContact O-N 3.03Å; S366-G369 PolarHBondContact OG-N 3.48Å; W367-G369 VanDerWaalsContact C-N 3.26Å; W367-G369 PolarHBondContact O-N 3.07Å; G369-K371 VanDerWaalsContact C-N 3.31Å
370S97.6Very high96.7Very high87 Ų8749.2 Ų49.261%0.60831%0.308SS*.THydrogen-bonded Turntrans-79.2-14.8174.766.10000113.5S366 W367 R368S366-S370 PolarHBondContact O-N 3.24Å; W367-S370 WeakPolarHBondContact O-CB 3.4Å; W367-S370 PolarHBondContact O-N 2.68Å; W367-S370 VanDerWaalsContact O-N 3.15Å; W367-S370 PolarHBondContact O-OG 2.71Å; R368-S370 VanDerWaalsContact C-N 3.27Å; R368-S370 PolarHBondContact O-N 3.29Å
371K97.8Very high96.7Very high121 Ų12150.4 Ų50.453%0.52631%0.313SS..SBendtrans-121.7151.9174.1-60.8179.3-176.7174.70109.9S366 W367 G369S366-K371 WeakPolarHBondContact CA-O 3.14Å; S366-K371 VanDerWaalsContact CB-O 3.3Å; S366-K371 WeakPolarHBondContact CB-O 3.46Å; S366-K371 PolarHBondContact O-N 2.93Å; W367-K371 HydrophobicContact CB-CD 3.93Å; W367-K371 HydrophobicContact CB-CG 4.08Å; G369-K371 VanDerWaalsContact C-N 3.31Å
372S97.4Very high96.6Very high84 Ų8453.1 Ų53.159%0.58733%0.33SS*.PPolyproline II helixtrans-96136.8173.755.10000111.3
373I98.3Very high96.6Very high17 Ų1753.8 Ų53.89%0.08733%0.333CS..EExtended strand (participates in β ladder)trans-87.7120.4166.9-54.5168.1000107.1I314 M362 L365 I375 T380 R381I314-I373 HydrophobicContact CB-CG2 4.25Å; I314-I373 HydrophobicContact CG2-CG2 3.88Å; M362-I373 HydrophobicContact CB-CD1 3.92Å; M362-I373 HydrophobicContact CE-CD1 3.81Å; M362-I373 HydrophobicContact CG-CD1 4.17Å; L365-I373 HydrophobicContact CB-CD1 3.64Å; L365-I373 HydrophobicContact CB-CG1 3.9Å; L365-I373 HydrophobicContact CD1-CD1 4.32Å; I373-I375 HydrophobicContact CG2-CG2 4.3Å; I373-T380 CarbonylContact O-C 3.4Å; I373-T380 WeakPolarHBondContact O-CA 3.21Å; I373-T380 WeakPolarHBondContact O-CB 3.29Å; I373-R381 HydrophobicContact CB-CB 4.41Å; I373-R381 PolarHBondContact N-O 3.42Å; I373-R381 PolarHBondContact O-N 3.18Å
374D96.4Very high96.6Very high110 Ų11053.7 Ų53.759%0.58833%0.332SS*.EExtended strand (participates in β ladder)trans-75128173.2-173.76.2000109.6G376D374-G376 PolarHBondContact OD1-N 3.27Å
375I96Very high96.6Very high0 Ų059.2 Ų59.20%036%0.356CS..  trans-120.520.6177.562158.4000111.2L303 M308 V312 I314 I373 K379 R381L303-I375 HydrophobicContact CD1-CG2 4.5Å; L303-I375 HydrophobicContact CD2-CB 4.49Å; L303-I375 HydrophobicContact CD2-CD1 4.19Å; L303-I375 HydrophobicContact CD2-CG2 4.09Å; M308-I375 HydrophobicContact CE-CB 4.39Å; M308-I375 WeakPolarHBondContact CE-O 3.37Å; M308-I375 HydrophobicContact SD-CD1 3.74Å; M308-I375 HydrophobicContact SD-CG1 4.4Å; V312-I375 WeakPolarHBondContact CG2-O 3.49Å; I314-I375 HydrophobicContact CG2-CG2 4.31Å; I373-I375 HydrophobicContact CG2-CG2 4.3Å; I375-K379 HydrophobicContact CD1-CB 3.91Å; I375-K379 HydrophobicContact CG1-CB 3.77Å; I375-K379 WeakPolarHBondContact CG1-O 2.96Å; I375-K379 PolarHBondContact N-O 3.48Å; I375-K379 VanDerWaalsContact N-O 3.09Å; I375-R381 HydrophobicContact CD1-CG 3.94Å; I375-R381 VanDerWaalsContact CD1-CZ 3.47Å; I375-R381 HydrophobicContact CG1-CG 4.47Å; I375-R381 HydrophobicContact CG2-CB 4.47Å; I375-R381 HydrophobicContact CG2-CG 4.04Å
376G91.9Very high96.6Very high32 Ų3261.1 Ų61.133%0.3337%0.366SS..SBendtrans82.6160.5174.900000114.4D374 G378 K379D374-G376 PolarHBondContact OD1-N 3.27Å; G376-G378 PolarHBondContact O-N 3.14Å; G376-K379 WeakPolarHBondContact O-CB 3.39Å; G376-K379 PolarHBondContact O-N 3.01Å
377G87.4Confident96.6Very high85 Ų8561.9 Ų61.988%0.87638%0.375SS*.THydrogen-bonded Turntrans60.628.117700000114.4K379G377-K379 PolarHBondContact O-N 3.05Å
378G91.3Very high96.6Very high80 Ų8058.7 Ų58.783%0.82536%0.363SS*.THydrogen-bonded Turntrans73.18.6-176.300000114.6G376G376-G378 PolarHBondContact O-N 3.14Å
379K94.9Very high96.7Very high78 Ų7854.8 Ų54.834%0.33935%0.35SS..  trans-94.3146.2178-61.3179.4-175.7178.40110.1D307 I375 G376 G377D307-K379 PolarHBondContact O-NZ 3.13Å; I375-K379 HydrophobicContact CD1-CB 3.91Å; I375-K379 HydrophobicContact CG1-CB 3.77Å; I375-K379 WeakPolarHBondContact CG1-O 2.96Å; I375-K379 PolarHBondContact N-O 3.48Å; I375-K379 VanDerWaalsContact N-O 3.09Å; G376-K379 WeakPolarHBondContact O-CB 3.39Å; G376-K379 PolarHBondContact O-N 3.01Å; G377-K379 PolarHBondContact O-N 3.05Å
380T97.8Very high96.8Very high71 Ų7153.2 Ų53.244%0.43633%0.334SS..EExtended strand (participates in β ladder)trans-132.8165.7178.460.90000112.6I373I373-T380 CarbonylContact O-C 3.4Å; I373-T380 WeakPolarHBondContact O-CA 3.21Å; I373-T380 WeakPolarHBondContact O-CB 3.29Å
381R98.4Very high96.9Very high26 Ų2650 Ų5010%0.09831%0.31CS..EExtended strand (participates in β ladder)trans-133.1158.6170.5-67.9-68.3-178.8-79.6-4.6111.6L303 M362 I373 I375 F383 D388L303-R381 HydrophobicContact CD1-CG 4.14Å; M362-R381 HydrophobicContact CE-CB 3.61Å; M362-R381 HydrophobicContact CE-CG 4.24Å; I373-R381 HydrophobicContact CB-CB 4.41Å; I373-R381 PolarHBondContact N-O 3.42Å; I373-R381 PolarHBondContact O-N 3.18Å; I375-R381 HydrophobicContact CD1-CG 3.94Å; I375-R381 VanDerWaalsContact CD1-CZ 3.47Å; I375-R381 HydrophobicContact CG1-CG 4.47Å; I375-R381 HydrophobicContact CG2-CB 4.47Å; I375-R381 HydrophobicContact CG2-CG 4.04Å; R381-F383 WeakPolarHBondContact CD-O 3.39Å; R381-D388 IonicContact CZ-OD1 3.51Å; R381-D388 IonicContact CZ-OD2 3.67Å; R381-D388 IonicContact NE-OD1 3.4Å; R381-D388 PolarHBondContact NE-OD1 3.11Å; R381-D388 IonicContact NE-OD2 2.79Å; R381-D388 PolarHBondContact NE-OD2 2.96Å; R381-D388 IonicContact NH2-OD1 2.74Å; R381-D388 PolarHBondContact NH2-OD1 2.83Å; R381-D388 IonicContact NH2-OD2 3.65Å
382T98.5Very high96.9Very high57 Ų5744.2 Ų44.235%0.3529%0.285SS..SBendtrans-120.5-47.4160.349.20000108.8M362 S366M362-T382 WeakPolarHBondContact CB-O 3.39Å; S366-T382 WeakPolarHBondContact CB-O 2.89Å; S366-T382 PolarHBondContact OG-O 2.67Å
383F98.8Very high97Very high14 Ų1442 Ų426%0.06127%0.269CS..SBendtrans-130.5170.5171.9-69-78.1000110.1Q195 L196 D197 R237 L363 R381Q195-F383 HydrophobicContact CB-CD1 4.06Å; Q195-F383 HydrophobicContact CB-CD2 4.14Å; Q195-F383 HydrophobicContact CB-CE1 4.03Å; Q195-F383 HydrophobicContact CB-CE2 4.1Å; Q195-F383 HydrophobicContact CB-CG 4.12Å; Q195-F383 HydrophobicContact CB-CZ 4.04Å; Q195-F383 HydrophobicContact CG-CD2 3.99Å; Q195-F383 HydrophobicContact CG-CE2 3.82Å; Q195-F383 HydrophobicContact CG-CG 4.46Å; Q195-F383 HydrophobicContact CG-CZ 4.15Å; L196-F383 WeakPolarHBondContact O-CB 3.31Å; D197-F383 HydrophobicContact CB-CD1 4.16Å; D197-F383 HydrophobicContact CB-CE1 4.4Å; R237-F383 HydrophobicContact CG-CE1 3.96Å; L363-F383 HydrophobicContact CB-CE1 4.34Å; L363-F383 HydrophobicContact CD1-CZ 4.28Å; R381-F383 WeakPolarHBondContact CD-O 3.39Å
384L98.8Very high97Very high5 Ų541.3 Ų41.33%0.02627%0.265CS..PPolyproline II helixtrans-64.3139.7-179-64.6170.2000112.2R175 L196 I198 W234 L303 M362 D388 I390 I412R175-L384 PolarHBondContact NH2-O 3.43Å; L196-L384 HydrophobicContact CB-CB 4.29Å; L196-L384 HydrophobicContact CD2-CB 4.32Å; L196-L384 HydrophobicContact CD2-CD1 4.39Å; L196-L384 HydrophobicContact CG-CB 4.32Å; L196-L384 HydrophobicContact CG-CD1 4.09Å; L196-L384 WeakPolarHBondContact O-CB 3.36Å; L196-L384 PolarHBondContact O-N 2.71Å; I198-L384 HydrophobicContact CG2-CD1 3.84Å; I198-L384 HydrophobicContact CG2-CD2 4.37Å; I198-L384 HydrophobicContact CG2-CG 4.49Å; W234-L384 HydrophobicContact CE3-CD1 3.93Å; W234-L384 HydrophobicContact CZ3-CD1 3.66Å; L303-L384 HydrophobicContact CD1-CD2 4.18Å; M362-L384 HydrophobicContact CE-CD2 4.43Å; M362-L384 HydrophobicContact SD-CD2 3.48Å; M362-L384 WeakPolarHBondContact SD-CD2 3.42Å; M362-L384 HydrophobicContact SD-CG 3.6Å; M362-L384 VanDerWaalsContact SD-CG 3.6Å; L384-D388 HydrophobicContact CD2-CB 4.22Å; L384-I390 HydrophobicContact CD2-CD1 3.69Å; L384-I390 HydrophobicContact CD2-CG1 3.78Å; L384-I412 HydrophobicContact CB-CG1 4.31Å; L384-I412 HydrophobicContact CD1-CD1 4.12Å; L384-I412 HydrophobicContact CD1-CG1 4.02Å
385K98.5Very high97.1Very high118 Ų11838.1 Ų38.151%0.51325%0.245SC..PPolyproline II helixtrans-101.6163.1168.6-65.4-172.5-179177.40110.6D388K385-D388 PolarHBondContact N-OD2 3.03Å; K385-D388 WeakPolarHBondContact O-CB 3.36Å; K385-D388 PolarHBondContact O-N 3.16Å
386N98.4Very high97.3Very high67 Ų6738.1 Ų38.136%0.35825%0.245SC..THydrogen-bonded Turntrans-61.8141.7170.5-58.3-14.3000109.3R175 D388 P414R175-N386 PolarHBondContact NE-OD1 3.18Å; R175-N386 PolarHBondContact NH2-OD1 3.09Å; N386-D388 PolarHBondContact O-N 3.01Å; N386-P414 HydrophobicContact CB-CG 4.25Å
387G98.4Very high97.6Very high17 Ų1741.1 Ų41.118%0.17525%0.251CS..THydrogen-bonded Turntrans79.1-4.1-175.900000114.6Q306 I412Q306-G387 PolarHBondContact N-O 3.08Å; G387-I412 PolarHBondContact N-O 3.38Å
388D98.8Very high98.1Very high1 Ų138 Ų381%0.00522%0.218CC..  trans-69.6133.7169.4-70.4-16.1000109.4G305 R381 L384 K385 N386 I412G305-D388 WeakPolarHBondContact CA-OD1 3.09Å; R381-D388 IonicContact CZ-OD1 3.51Å; R381-D388 IonicContact CZ-OD2 3.67Å; R381-D388 IonicContact NE-OD1 3.4Å; R381-D388 PolarHBondContact NE-OD1 3.11Å; R381-D388 IonicContact NE-OD2 2.79Å; R381-D388 PolarHBondContact NE-OD2 2.96Å; R381-D388 IonicContact NH2-OD1 2.74Å; R381-D388 PolarHBondContact NH2-OD1 2.83Å; R381-D388 IonicContact NH2-OD2 3.65Å; L384-D388 HydrophobicContact CD2-CB 4.22Å; K385-D388 PolarHBondContact N-OD2 3.03Å; K385-D388 WeakPolarHBondContact O-CB 3.36Å; K385-D388 PolarHBondContact O-N 3.16Å; N386-D388 PolarHBondContact O-N 3.01Å; D388-I412 PolarHBondContact O-N 2.92Å
389E98.8Very high98.3Very high48 Ų4842 Ų4222%0.22422%0.22CC..EExtended strand (participates in β ladder)trans-109.2131.8173.4178.5-179.3104.300109.3L303 K304 K409 G410 T411L303-E389 WeakPolarHBondContact CA-O 3.44Å; K304-E389 HydrophobicContact CB-CB 4.42Å; K304-E389 PolarHBondContact N-O 3.37Å; K304-E389 PolarHBondContact O-N 2.78Å; E389-K409 HydrophobicContact CG-CG 4.33Å; E389-K409 VanDerWaalsContact OE1-CE 3.25Å; E389-K409 WeakPolarHBondContact OE1-CE 3.44Å; E389-K409 IonicContact OE1-NZ 2.8Å; E389-K409 PolarHBondContact OE1-NZ 3.08Å; E389-K409 WeakPolarHBondContact OE2-CE 3.48Å; E389-K409 IonicContact OE2-NZ 2.74Å; E389-K409 PolarHBondContact OE2-NZ 2.91Å; E389-G410 WeakPolarHBondContact CA-O 3.39Å; E389-T411 HydrophobicContact CB-CG2 4.48Å; E389-T411 PolarHBondContact OE2-OG1 3.08Å
390I98.9Very high98.3Very high0 Ų040.9 Ų40.90%023%0.231CC..EExtended strand (participates in β ladder)trans-111.5134.8175.6-60.9-69.4000108.6I198 W234 V301 S302 L303 L384 I392 K409 G410I198-I390 HydrophobicContact CG2-CB 4.25Å; I198-I390 HydrophobicContact CG2-CD1 4Å; I198-I390 HydrophobicContact CG2-CG1 3.64Å; I198-I390 HydrophobicContact CG2-CG2 3.95Å; W234-I390 HydrophobicContact CH2-CB 3.76Å; W234-I390 HydrophobicContact CH2-CG1 3.97Å; W234-I390 HydrophobicContact CZ3-CB 4.22Å; W234-I390 HydrophobicContact CZ3-CG1 3.96Å; V301-I390 HydrophobicContact CG1-CG2 3.86Å; S302-I390 WeakPolarHBondContact O-CA 3.23Å; L303-I390 HydrophobicContact CB-CD1 3.83Å; L303-I390 HydrophobicContact CD1-CD1 3.97Å; L303-I390 HydrophobicContact CG-CD1 3.84Å; L384-I390 HydrophobicContact CD2-CD1 3.69Å; L384-I390 HydrophobicContact CD2-CG1 3.78Å; I390-I392 HydrophobicContact CG2-CG1 4.35Å; I390-K409 CarbonylContact O-C 3.42Å; I390-K409 VanDerWaalsContact O-CA 3.27Å; I390-K409 WeakPolarHBondContact O-CA 3.08Å; I390-G410 PolarHBondContact N-O 3.34Å; I390-G410 PolarHBondContact O-N 2.67Å
391T98.9Very high98.3Very high18 Ų1839.8 Ų39.811%0.1122%0.219CC..EExtended strand (participates in β ladder)trans-128.8118170.5-550000109.4S302 T393 L407 K409S302-T391 PolarHBondContact N-O 2.98Å; S302-T391 PolarHBondContact O-N 2.78Å; S302-T391 PolarHBondContact OG-O 3.49Å; T391-T393 HydrophobicContact CG2-CG2 4.02Å; T391-L407 HydrophobicContact CG2-CB 4.24Å; T391-L407 HydrophobicContact CG2-CD2 3.97Å; T391-L407 HydrophobicContact CG2-CG 4.48Å; T391-K409 HydrophobicContact CG2-CB 4.45Å
392I98.9Very high98.3Very high0 Ų041.5 Ų41.50%023%0.226CC..EExtended strand (participates in β ladder)trans-93.2132.3168.4-55.5-178.5000108.2L200 L230 M231 N232 F300 V301 I390 C408L200-I392 HydrophobicContact CD1-CD1 4.05Å; L200-I392 HydrophobicContact CD1-CG1 4.43Å; L200-I392 HydrophobicContact CD1-CG2 3.44Å; L200-I392 VanDerWaalsContact CD1-CG2 3.44Å; L230-I392 HydrophobicContact CB-CG2 4.31Å; L230-I392 HydrophobicContact CD1-CG2 4.23Å; L230-I392 HydrophobicContact CD2-CG2 4.27Å; M231-I392 WeakPolarHBondContact O-CD1 3.48Å; N232-I392 HydrophobicContact CB-CD1 3.66Å; F300-I392 WeakPolarHBondContact O-CA 3.41Å; V301-I392 HydrophobicContact CG1-CG1 4.48Å; V301-I392 HydrophobicContact CG2-CG1 4.25Å; I390-I392 HydrophobicContact CG2-CG1 4.35Å; I392-C408 HydrophobicContact CB-CB 4.14Å; I392-C408 PolarHBondContact N-O 3.21Å; I392-C408 PolarHBondContact O-N 3.13Å
393T98.9Very high98.3Very high39 Ų3938.8 Ų38.824%0.23921%0.209CC..EExtended strand (participates in β ladder)trans-132152.2173.557.70000109.8F300 T391 L407F300-T393 PolarHBondContact N-O 2.95Å; F300-T393 PolarHBondContact O-N 2.99Å; T391-T393 HydrophobicContact CG2-CG2 4.02Å; T393-L407 HydrophobicContact CG2-CD2 3.47Å; T393-L407 VanDerWaalsContact CG2-CD2 3.47Å
394G98.8Very high98.3Very high1 Ų138.1 Ų38.11%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-154.4149.7175.400000112.8N298 G404 F405N298-G394 CarbonylContact O-C 3.57Å; N298-G394 WeakPolarHBondContact O-CA 3.46Å; G394-G404 WeakPolarHBondContact O-CA 3.28Å; G394-F405 WeakPolarHBondContact O-CD2 3.11Å; G394-F405 PolarHBondContact O-N 3.27Å
395Y98.9Very high98.3Very high44 Ų4437.9 Ų37.917%0.17321%0.205CC..EExtended strand (participates in β ladder)trans-156.5150.3175.865.3-93000112.7N298 F300 E397 R402 V403N298-Y395 HydrophobicContact CB-CE2 4.48Å; N298-Y395 PolarHBondContact N-O 3.39Å; N298-Y395 PolarHBondContact ND2-O 2.78Å; N298-Y395 PolarHBondContact O-N 3.31Å; F300-Y395 HydrophobicContact CD2-CE1 4.27Å; F300-Y395 HydrophobicContact CE2-CD1 4.19Å; F300-Y395 AromaticContact CE2-CE1 3.49Å; F300-Y395 HydrophobicContact CE2-CE1 3.49Å; F300-Y395 VanDerWaalsContact CE2-CE1 3.49Å; F300-Y395 HydrophobicContact CZ-CE1 4.28Å; Y395-E397 HydrophobicContact CD2-CB 4.4Å; Y395-E397 HydrophobicContact CE2-CB 4.17Å; Y395-E397 WeakPolarHBondContact CE2-OE2 3.38Å; Y395-R402 HydrophobicContact CD2-CG 4.02Å; Y395-R402 PolarHBondContact OH-NH2 3.25Å; Y395-V403 CarbonylContact C-O 3.6Å; Y395-V403 VanDerWaalsContact CA-O 3.3Å; Y395-V403 WeakPolarHBondContact CA-O 3.36Å
396C98.9Very high98.3Very high0 Ų032.6 Ų32.60%018%0.184CC..EExtended strand (participates in β ladder)trans-89.4137.3160.9-49.70000109.4F272 R402 V403F272-C396 HydrophobicContact CB-CB 4.13Å; F272-C396 HydrophobicContact CD1-CB 3.51Å; F272-C396 HydrophobicContact CD2-CB 3.41Å; F272-C396 VanDerWaalsContact CD2-CB 3.41Å; F272-C396 HydrophobicContact CE1-CB 3.61Å; F272-C396 HydrophobicContact CE2-CB 3.52Å; F272-C396 HydrophobicContact CG-CB 3.38Å; F272-C396 HydrophobicContact CZ-CB 3.6Å; C396-R402 WeakPolarHBondContact O-CA 3.33Å; C396-V403 HydrophobicContact CB-CB 4.25Å; C396-V403 PolarHBondContact N-O 3.35Å; C396-V403 PolarHBondContact O-N 3.1Å
397E98.4Very high98.3Very high95 Ų9533.7 Ų33.744%0.44419%0.189SC..EExtended strand (participates in β ladder)trans-99.4118.7177.8-169.774.6-148.400109.3F272 Y395 R402F272-E397 WeakPolarHBondContact CE1-O 3.26Å; Y395-E397 HydrophobicContact CD2-CB 4.4Å; Y395-E397 HydrophobicContact CE2-CB 4.17Å; Y395-E397 WeakPolarHBondContact CE2-OE2 3.38Å; E397-R402 IonicContact OE1-NE 3.46Å; E397-R402 IonicContact OE2-CZ 2.73Å; E397-R402 IonicContact OE2-NE 2.6Å; E397-R402 PolarHBondContact OE2-NE 3.42Å; E397-R402 IonicContact OE2-NH2 3.05Å; E397-R402 PolarHBondContact OE2-NH2 3.17Å
398G97.1Very high98.4Very high18 Ų1832.9 Ų32.919%0.18618%0.181CC..  trans-105.3-177.5171.400000111.9G400 Y401G398-G400 PolarHBondContact O-N 3.25Å; G398-Y401 WeakPolarHBondContact CA-O 3.29Å; G398-Y401 PolarHBondContact N-O 2.97Å
399D96.5Very high98.4Very high164 Ų16435.7 Ų35.788%0.87719%0.194SC*.SBendtrans-73.794.8176-173.318.7000111Y401D399-Y401 WeakPolarHBondContact O-CD1 3.34Å
400G95.9Very high98.4Very high55 Ų5533.5 Ų33.557%0.56718%0.183SC*.SBendtrans78.915.1178.500000115.3G398G398-G400 PolarHBondContact O-N 3.25Å
401Y97.8Very high98.4Very high48 Ų4835.3 Ų35.319%0.18819%0.194CC..  trans-151.3163.3175.572.7-82.5000111.8Q15 F272 G398 D399 V403Q15-Y401 HydrophobicContact CB-CD2 3.7Å; Q15-Y401 HydrophobicContact CB-CE2 3.46Å; Q15-Y401 VanDerWaalsContact CB-CE2 3.46Å; Q15-Y401 HydrophobicContact CG-CD2 3.8Å; Q15-Y401 HydrophobicContact CG-CE1 4.36Å; Q15-Y401 HydrophobicContact CG-CE2 3.58Å; Q15-Y401 HydrophobicContact CG-CG 4.28Å; F272-Y401 AromaticContact CZ-CE2 3.94Å; F272-Y401 HydrophobicContact CZ-CE2 3.94Å; G398-Y401 WeakPolarHBondContact CA-O 3.29Å; G398-Y401 PolarHBondContact N-O 2.97Å; D399-Y401 WeakPolarHBondContact O-CD1 3.34Å; Y401-V403 HydrophobicContact CD2-CG2 4.37Å; Y401-V403 HydrophobicContact CE2-CG2 4.01Å
402R97.7Very high98.4Very high62 Ų6234.5 Ų34.523%0.23419%0.189CC..EExtended strand (participates in β ladder)trans-119.6152.9171.3-68.8-179.6174.9175.3-2.9112.6S13 Y395 C396 E397S13-R402 WeakPolarHBondContact CB-O 3.35Å; S13-R402 PolarHBondContact OG-O 3.28Å; Y395-R402 HydrophobicContact CD2-CG 4.02Å; Y395-R402 PolarHBondContact OH-NH2 3.25Å; C396-R402 WeakPolarHBondContact O-CA 3.33Å; E397-R402 IonicContact OE1-NE 3.46Å; E397-R402 IonicContact OE2-CZ 2.73Å; E397-R402 IonicContact OE2-NE 2.6Å; E397-R402 PolarHBondContact OE2-NE 3.42Å; E397-R402 IonicContact OE2-NH2 3.05Å; E397-R402 PolarHBondContact OE2-NH2 3.17Å
403V98.9Very high98.3Very high1 Ų137.1 Ų37.11%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-11394.4161.3174.70000106.3Q15 N16 V264 A268 L269 F272 Y395 C396 Y401Q15-V403 HydrophobicContact CB-CG2 4.36Å; N16-V403 HydrophobicContact CB-CB 4.42Å; N16-V403 HydrophobicContact CB-CG1 4.12Å; N16-V403 HydrophobicContact CB-CG2 4.21Å; V264-V403 HydrophobicContact CG1-CG1 3.69Å; A268-V403 HydrophobicContact CB-CG1 4.16Å; L269-V403 HydrophobicContact CD2-CG1 4.05Å; F272-V403 HydrophobicContact CE2-CB 3.95Å; F272-V403 HydrophobicContact CE2-CG2 3.68Å; F272-V403 HydrophobicContact CZ-CB 4.42Å; F272-V403 HydrophobicContact CZ-CG2 4.05Å; Y395-V403 CarbonylContact C-O 3.6Å; Y395-V403 VanDerWaalsContact CA-O 3.3Å; Y395-V403 WeakPolarHBondContact CA-O 3.36Å; C396-V403 HydrophobicContact CB-CB 4.25Å; C396-V403 PolarHBondContact N-O 3.35Å; C396-V403 PolarHBondContact O-N 3.1Å; Y401-V403 HydrophobicContact CD2-CG2 4.37Å; Y401-V403 HydrophobicContact CE2-CG2 4.01Å
404G98.8Very high98.3Very high0 Ų038.8 Ų38.80%022%0.215CC..EExtended strand (participates in β ladder)trans-104.9166.3-176.800000113.5D11 N16 G394D11-G404 PolarHBondContact O-N 2.96Å; N16-G404 PolarHBondContact ND2-O 2.77Å; G394-G404 WeakPolarHBondContact O-CA 3.28Å
405F98.9Very high98.3Very high0 Ų039.7 Ų39.70%022%0.222CC..EExtended strand (participates in β ladder)trans-108.70.7-173.4-71.2-101.8000113.4M202 M228 L230 V264 L269 I297 G394M202-F405 HydrophobicContact CE-CD1 3.91Å; M202-F405 HydrophobicContact CE-CD2 4.34Å; M202-F405 HydrophobicContact CE-CE1 3.36Å; M202-F405 HydrophobicContact CE-CE2 3.87Å; M202-F405 HydrophobicContact CE-CG 4.37Å; M202-F405 HydrophobicContact CE-CZ 3.34Å; M228-F405 HydrophobicContact CB-CE1 3.79Å; M228-F405 HydrophobicContact CB-CZ 4.34Å; M228-F405 WeakPolarHBondContact O-CE1 3.29Å; L230-F405 HydrophobicContact CD1-CB 3.66Å; L230-F405 HydrophobicContact CD2-CB 4.23Å; L230-F405 HydrophobicContact CD2-CG 4.32Å; L230-F405 HydrophobicContact CG-CB 3.6Å; L230-F405 HydrophobicContact CG-CD1 4.42Å; L230-F405 HydrophobicContact CG-CG 4.1Å; V264-F405 HydrophobicContact CB-CD1 4.09Å; V264-F405 HydrophobicContact CB-CE1 3.62Å; V264-F405 HydrophobicContact CB-CZ 3.97Å; V264-F405 HydrophobicContact CG1-CE1 4.44Å; V264-F405 HydrophobicContact CG1-CZ 4.3Å; V264-F405 HydrophobicContact CG2-CD1 3.48Å; V264-F405 VanDerWaalsContact CG2-CD1 3.48Å; V264-F405 HydrophobicContact CG2-CD2 4.28Å; V264-F405 HydrophobicContact CG2-CE1 3.54Å; V264-F405 HydrophobicContact CG2-CE2 4.33Å; V264-F405 HydrophobicContact CG2-CG 3.88Å; V264-F405 HydrophobicContact CG2-CZ 3.98Å; L269-F405 HydrophobicContact CD1-CZ 4.09Å; L269-F405 HydrophobicContact CD2-CE2 4.17Å; L269-F405 HydrophobicContact CD2-CZ 3.83Å; I297-F405 HydrophobicContact CD1-CE2 4.37Å; I297-F405 HydrophobicContact CD1-CZ 4.15Å; I297-F405 HydrophobicContact CG2-CD2 4.4Å; I297-F405 HydrophobicContact CG2-CE2 3.78Å; I297-F405 HydrophobicContact CG2-CZ 4.5Å; G394-F405 WeakPolarHBondContact O-CD2 3.11Å; G394-F405 PolarHBondContact O-N 3.27Å
406G98.6Very high98Very high7 Ų742.9 Ų42.97%0.07224%0.241CC..EExtended strand (participates in β ladder)trans66.8-145.6-16800000111.3D11D11-G406 WeakPolarHBondContact OD2-CA 3.41Å; D11-G406 PolarHBondContact OD2-N 2.78Å
407L98.5Very high97.1Very high89 Ų8950.7 Ų50.747%0.46628%0.283SS..EExtended strand (participates in β ladder)trans-111.1135.4-171.7-49.6-177.8000111.3S169 T391 T393S169-L407 WeakPolarHBondContact CB-O 3.29Å; S169-L407 PolarHBondContact OG-O 2.83Å; T391-L407 HydrophobicContact CG2-CB 4.24Å; T391-L407 HydrophobicContact CG2-CD2 3.97Å; T391-L407 HydrophobicContact CG2-CG 4.48Å; T393-L407 HydrophobicContact CG2-CD2 3.47Å; T393-L407 VanDerWaalsContact CG2-CD2 3.47Å
408C98.9Very high95.2Very high1 Ų155.8 Ų55.81%0.00731%0.307CS..EExtended strand (participates in β ladder)trans-109.5105.3158172.90000108.3S169 L230 T258 I392S169-C408 WeakPolarHBondContact OG-CA 3.49Å; L230-C408 HydrophobicContact CB-CB 3.74Å; L230-C408 HydrophobicContact CD1-CB 4.47Å; T258-C408 PolarHBondContact O-SG 3.48Å; T258-C408 VanDerWaalsContact O-SG 3.34Å; I392-C408 HydrophobicContact CB-CB 4.14Å; I392-C408 PolarHBondContact N-O 3.21Å; I392-C408 PolarHBondContact O-N 3.13Å
409K98.7Very high95.1Very high60 Ų6057.7 Ų57.726%0.26131%0.313SS..EExtended strand (participates in β ladder)trans-128.7143.8-164.8177.6176.5168.5157.30111.8S169 G170 E389 I390 T391S169-K409 PolarHBondContact OG-N 3.04Å; G170-K409 PolarHBondContact N-O 2.89Å; E389-K409 HydrophobicContact CG-CG 4.33Å; E389-K409 VanDerWaalsContact OE1-CE 3.25Å; E389-K409 WeakPolarHBondContact OE1-CE 3.44Å; E389-K409 IonicContact OE1-NZ 2.8Å; E389-K409 PolarHBondContact OE1-NZ 3.08Å; E389-K409 WeakPolarHBondContact OE2-CE 3.48Å; E389-K409 IonicContact OE2-NZ 2.74Å; E389-K409 PolarHBondContact OE2-NZ 2.91Å; I390-K409 CarbonylContact O-C 3.42Å; I390-K409 VanDerWaalsContact O-CA 3.27Å; I390-K409 WeakPolarHBondContact O-CA 3.08Å; T391-K409 HydrophobicContact CG2-CB 4.45Å
410G98.8Very high95Very high1 Ų152.1 Ų52.11%0.0128%0.283CS..EExtended strand (participates in β ladder)trans-160.515116900000113.1E389 I390E389-G410 WeakPolarHBondContact CA-O 3.39Å; I390-G410 PolarHBondContact N-O 3.34Å; I390-G410 PolarHBondContact O-N 2.67Å
411T98.8Very high95Very high38 Ų3851.9 Ų51.923%0.23327%0.267CS..EExtended strand (participates in β ladder)trans-114.1134.2-179.7-52.20000110I173 E389 L413I173-T411 PolarHBondContact N-O 2.83Å; E389-T411 HydrophobicContact CB-CG2 4.48Å; E389-T411 PolarHBondContact OE2-OG1 3.08Å; T411-L413 PolarHBondContact O-N 3.13Å
412I98.8Very high94.8Very high1 Ų152.1 Ų52.11%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-79.8116.2-179.7-57.8-48.6000110.8I173 R175 L196 W234 L384 G387 D388I173-I412 HydrophobicContact CB-CD1 4.16Å; I173-I412 HydrophobicContact CG2-CD1 4.46Å; I173-I412 CarbonylContact O-C 3.51Å; I173-I412 WeakPolarHBondContact O-CA 3.45Å; R175-I412 HydrophobicContact CB-CG2 4.48Å; L196-I412 HydrophobicContact CD2-CB 4.45Å; L196-I412 HydrophobicContact CD2-CD1 3.85Å; L196-I412 HydrophobicContact CD2-CG1 4.02Å; L196-I412 HydrophobicContact CD2-CG2 3.56Å; W234-I412 HydrophobicContact CE3-CD1 3.87Å; W234-I412 HydrophobicContact CH2-CD1 3.99Å; W234-I412 HydrophobicContact CZ3-CD1 3.51Å; W234-I412 HydrophobicContact CZ3-CG1 4.35Å; L384-I412 HydrophobicContact CB-CG1 4.31Å; L384-I412 HydrophobicContact CD1-CD1 4.12Å; L384-I412 HydrophobicContact CD1-CG1 4.02Å; G387-I412 PolarHBondContact N-O 3.38Å; D388-I412 PolarHBondContact O-N 2.92Å
413L98.7Very high94.6Very high56 Ų5651.5 Ų51.529%0.29327%0.274SS..EExtended strand (participates in β ladder)trans-86.9153.1170.3-59.4-176.6000111P172 I173 H174 R175 T411P172-L413 HydrophobicContact CB-CD1 3.53Å; P172-L413 HydrophobicContact CB-CD2 4.26Å; P172-L413 HydrophobicContact CB-CG 3.73Å; P172-L413 HydrophobicContact CG-CD1 4.45Å; I173-L413 PolarHBondContact O-N 2.7Å; H174-L413 WeakPolarHBondContact NE2-CD1 3.35Å; R175-L413 PolarHBondContact N-O 3.18Å; T411-L413 PolarHBondContact O-N 3.13Å
414P98.4Very high94.4Very high73 Ų7354.9 Ų54.947%0.47429%0.292SS..PPolyproline II helixtrans-53.7150.8169.6-23.533.7000112.2H174 N386H174-P414 PolarHBondContact ND1-O 3.1Å; N386-P414 HydrophobicContact CB-CG 4.25Å
415A97.8Very high94.1Very high20 Ų2058.8 Ų58.817%0.16531%0.313CS..PPolyproline II helixtrans-61.2146.3168.900000109.8R175 P192R175-A415 HydrophobicContact CB-CB 4.18Å; R175-A415 HydrophobicContact CG-CB 4.29Å; R175-A415 WeakPolarHBondContact O-CA 3.06Å; R175-A415 VanDerWaalsContact O-CB 3.31Å; R175-A415 WeakPolarHBondContact O-CB 3.43Å; P192-A415 HydrophobicContact CB-CB 3.69Å
416L92.9Very high93.7Very high111 Ų11163.3 Ų63.358%0.58134%0.337SS*.PPolyproline II helixtrans-69.6139.3174.5-60.6176.4000109.5
417N80.1Confident93.3Very high164 Ų16468 Ų6888%0.87736%0.359SS*.PPolyproline II helixtrans-68.7131.5172.1-66.3-25000108.5
418H58.9Low92.8Very high202 Ų20266.1 Ų66.194%0.93535%0.349SS*.  trans-1030172.4-72.9-64.4000110.9F190F190-H418 AromaticContact CE1-CD2 3.85Å

Retrieved 418 of 418 residues in 244.4 ms (Link to these results)

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