A0A087YHX5_POEFO Loading...

Neuronal calcium sensor 1

May be involved in the calcium-dependent regulation of rhodopsin phosphorylation. Binds three calcium ions.

AlphaFold DB (A0A6J2QC10), UniProt , Accession A0A087YHX5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 190 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
1M33.8Very low63.6Low246 Ų246127.5 Ų127.5100%1.21269%0.688SS**  0113.20-74.4170.9163.800107.1
2G42.2Very low65.5Low77 Ų77120.9 Ų120.979%0.79466%0.655SS**PPolyproline II helixtrans-69.6139.2-160.400000113.4S4G2-S4 PolarHBondContact O-N 3.19Å
3K39.9Very low67.4Low206 Ų206111.8 Ų111.890%0.89661%0.606SS**PPolyproline II helixtrans-58.7118169.5-70.7176.1176.1175.50108N5K3-N5 PolarHBondContact O-N 3.42Å; K3-N5 VanDerWaalsContact O-N 3.07Å
4S51.7Low69Low95 Ų95112.8 Ų112.866%0.66461%0.605SS**PPolyproline II helixtrans-51.6117167.2-39.90000107.5G2 S6G2-S4 PolarHBondContact O-N 3.19Å; S4-S6 PolarHBondContact O-N 2.99Å
5N54.9Low70.5Confident128 Ų128111.5 Ų111.568%0.68459%0.594SS**  trans-71.295.3-170.3-154.516.7000108.5K3 K7K3-N5 PolarHBondContact O-N 3.42Å; K3-N5 VanDerWaalsContact O-N 3.07Å; N5-K7 PolarHBondContact O-N 3.06Å
6S61.5Low71.8Confident72 Ų72104.8 Ų104.850%0.50356%0.558SS.*  trans-74.114.9-173.453.20000114.2S4S4-S6 PolarHBondContact O-N 2.99Å
7K71.9Confident72.9Confident152 Ų152101.5 Ų101.566%0.66154%0.542SS*.SBendtrans-130.9131.5178.1-65.4-173.2179.4-176.20109.6N5N5-K7 PolarHBondContact O-N 3.06Å
8L81.5Confident73.9Confident32 Ų32107.5 Ų107.517%0.16856%0.556CS.*  trans-62.2150167.4-73.5163.9000110.3V12 V13 L16 V27 Y31 F82L8-V12 HydrophobicContact CD2-CG1 4.06Å; L8-V13 HydrophobicContact CB-CG2 3.45Å; L8-V13 VanDerWaalsContact CB-CG2 3.45Å; L8-V13 HydrophobicContact CD1-CG2 4.07Å; L8-V13 HydrophobicContact CG-CG2 4.42Å; L8-L16 HydrophobicContact CD1-CD1 4.42Å; L8-V27 HydrophobicContact CD1-CG1 4.07Å; L8-Y31 HydrophobicContact CD1-CD1 4.15Å; L8-Y31 HydrophobicContact CD1-CD2 3.75Å; L8-Y31 HydrophobicContact CD1-CE2 4.38Å; L8-Y31 HydrophobicContact CD1-CG 3.59Å; L8-Y31 HydrophobicContact CD2-CD1 4.43Å; L8-Y31 HydrophobicContact CD2-CD2 3.67Å; L8-Y31 HydrophobicContact CD2-CE1 4.24Å; L8-Y31 HydrophobicContact CD2-CE2 3.44Å; L8-Y31 VanDerWaalsContact CD2-CE2 3.44Å; L8-Y31 HydrophobicContact CD2-CG 4.15Å; L8-Y31 HydrophobicContact CG-CD1 3.67Å; L8-Y31 HydrophobicContact CG-CD2 3.6Å; L8-Y31 HydrophobicContact CG-CE1 3.82Å; L8-Y31 HydrophobicContact CG-CE2 3.75Å; L8-Y31 HydrophobicContact CG-CG 3.53Å; L8-F82 HydrophobicContact CD1-CD1 3.92Å; L8-F82 HydrophobicContact CD1-CE1 3.51Å; L8-F82 HydrophobicContact CD1-CZ 4.41Å; L8-F82 HydrophobicContact CD2-CD1 4.26Å
9K86.5Confident74.6Confident140 Ų140107.9 Ų107.961%0.60955%0.553SS**  trans-64.5141.3169.6-67.6177.8179.21770109.1E11 V12 V13K9-E11 PolarHBondContact O-N 3.35Å; K9-V12 HydrophobicContact CB-CG2 4.17Å; K9-V12 PolarHBondContact O-N 2.67Å; K9-V13 PolarHBondContact O-N 3.13Å; K9-V13 VanDerWaalsContact O-N 3.13Å
10P86.3Confident75.4Confident104 Ų104103.1 Ų103.168%0.67553%0.529SS*.Hα-helixtrans-52.1-40.6179.4-27.934.9000113.7V12 V13 E14P10-V12 VanDerWaalsContact C-N 3.33Å; P10-V12 PolarHBondContact O-N 3.44Å; P10-V13 PolarHBondContact O-N 3.18Å; P10-E14 PolarHBondContact O-N 2.92Å
11E89.1Confident76.1Confident151 Ų151103 Ų10371%0.70652%0.523SS*.Hα-helixtrans-58.2-42.5177.7-64.3166.4-177.600112.6K9 E14 E15K9-E11 PolarHBondContact O-N 3.35Å; E11-E14 PolarHBondContact O-N 3.03Å; E11-E15 WeakPolarHBondContact O-CB 3.49Å; E11-E15 PolarHBondContact O-N 3.2Å
12V87.2Confident78.8Confident48 Ų4891.8 Ų91.829%0.29147%0.467SS..Hα-helixtrans-70.5-37.6178.9179.10000110.6L8 K9 P10 E14 E15 L16L8-V12 HydrophobicContact CD2-CG1 4.06Å; K9-V12 HydrophobicContact CB-CG2 4.17Å; K9-V12 PolarHBondContact O-N 2.67Å; P10-V12 VanDerWaalsContact C-N 3.33Å; P10-V12 PolarHBondContact O-N 3.44Å; V12-E14 VanDerWaalsContact C-N 3.35Å; V12-E15 PolarHBondContact O-N 3.04Å; V12-L16 HydrophobicContact CG1-CD1 3.85Å; V12-L16 HydrophobicContact CG1-CG 4.26Å; V12-L16 WeakPolarHBondContact O-CB 3.35Å; V12-L16 VanDerWaalsContact O-CG 3.22Å; V12-L16 WeakPolarHBondContact O-CG 3.38Å; V12-L16 PolarHBondContact O-N 2.92Å
13V89.3Confident81.2Confident2 Ų291.7 Ų91.71%0.01245%0.452CS..Hα-helixtrans-64.8-42.7176.5179.80000110.8L8 K9 P10 L16 T17 E24 Q28L8-V13 HydrophobicContact CB-CG2 3.45Å; L8-V13 VanDerWaalsContact CB-CG2 3.45Å; L8-V13 HydrophobicContact CD1-CG2 4.07Å; L8-V13 HydrophobicContact CG-CG2 4.42Å; K9-V13 PolarHBondContact O-N 3.13Å; K9-V13 VanDerWaalsContact O-N 3.13Å; P10-V13 PolarHBondContact O-N 3.18Å; V13-L16 PolarHBondContact O-N 3.45Å; V13-T17 VanDerWaalsContact O-CB 3.3Å; V13-T17 WeakPolarHBondContact O-CB 3.3Å; V13-T17 PolarHBondContact O-N 2.65Å; V13-T17 PolarHBondContact O-OG1 2.92Å; V13-E24 HydrophobicContact CG1-CB 3.93Å; V13-E24 HydrophobicContact CG1-CG 3.58Å; V13-Q28 HydrophobicContact CG2-CG 4.47Å
14E90.6Very high83.7Confident126 Ų12686.9 Ų86.959%0.58943%0.432SS*.Hα-helixtrans-62.1-46.3176.1-172.6179.417500111.1P10 E11 V12 T17 R18P10-E14 PolarHBondContact O-N 2.92Å; E11-E14 PolarHBondContact O-N 3.03Å; V12-E14 VanDerWaalsContact C-N 3.35Å; E14-T17 PolarHBondContact O-N 3.38Å; E14-R18 WeakPolarHBondContact O-CG 3.27Å; E14-R18 PolarHBondContact O-N 3.07Å
15E91.8Very high85.5Confident94 Ų9490.2 Ų90.244%0.43944%0.435SS..Hα-helixtrans-58.6-49.8176.4-173.3-175.1169.700112E11 V12 T17 R18 K19E11-E15 WeakPolarHBondContact O-CB 3.49Å; E11-E15 PolarHBondContact O-N 3.2Å; V12-E15 PolarHBondContact O-N 3.04Å; E15-T17 VanDerWaalsContact C-N 3.34Å; E15-T17 PolarHBondContact O-N 3.23Å; E15-R18 PolarHBondContact O-N 3.12Å; E15-R18 VanDerWaalsContact O-N 3.12Å; E15-K19 HydrophobicContact CG-CD 4.16Å; E15-K19 PolarHBondContact O-N 2.88Å; E15-K19 WeakPolarHBondContact OE1-CE 3.28Å; E15-K19 IonicContact OE1-NZ 2.67Å; E15-K19 PolarHBondContact OE1-NZ 3.12Å
16L90.7Very high87.2Confident4 Ų486.2 Ų86.22%0.02141%0.412CS..Hα-helixtrans-65.7-37.1-179.8-67.9173.4000111.8L8 V12 V13 R18 K19 T20 V27 F82 I86 Q87L8-L16 HydrophobicContact CD1-CD1 4.42Å; V12-L16 HydrophobicContact CG1-CD1 3.85Å; V12-L16 HydrophobicContact CG1-CG 4.26Å; V12-L16 WeakPolarHBondContact O-CB 3.35Å; V12-L16 VanDerWaalsContact O-CG 3.22Å; V12-L16 WeakPolarHBondContact O-CG 3.38Å; V12-L16 PolarHBondContact O-N 2.92Å; V13-L16 PolarHBondContact O-N 3.45Å; L16-R18 PolarHBondContact O-N 2.66Å; L16-K19 PolarHBondContact O-N 3.46Å; L16-T20 VanDerWaalsContact O-CB 3.27Å; L16-T20 WeakPolarHBondContact O-CB 3.22Å; L16-T20 VanDerWaalsContact O-CG2 3.28Å; L16-T20 WeakPolarHBondContact O-CG2 3.4Å; L16-T20 PolarHBondContact O-N 3.35Å; L16-T20 PolarHBondContact O-OG1 2.88Å; L16-V27 HydrophobicContact CB-CG1 4.17Å; L16-V27 HydrophobicContact CD1-CG1 4.07Å; L16-F82 HydrophobicContact CD1-CD1 3.99Å; L16-F82 HydrophobicContact CD1-CE1 3.78Å; L16-I86 HydrophobicContact CD1-CG2 4.13Å; L16-I86 HydrophobicContact CD2-CG2 3.81Å; L16-I86 HydrophobicContact CG-CG2 4.4Å; L16-Q87 HydrophobicContact CD2-CG 4.48Å
17T90.6Very high88.6Confident48 Ų4882.8 Ų82.829%0.29439%0.388SS..Hα-helixtrans-64.8-29.4175-550000111.5V13 E14 E15 T20V13-T17 VanDerWaalsContact O-CB 3.3Å; V13-T17 WeakPolarHBondContact O-CB 3.3Å; V13-T17 PolarHBondContact O-N 2.65Å; V13-T17 PolarHBondContact O-OG1 2.92Å; E14-T17 PolarHBondContact O-N 3.38Å; E15-T17 VanDerWaalsContact C-N 3.34Å; E15-T17 PolarHBondContact O-N 3.23Å; T17-T20 VanDerWaalsContact O-O 3.07Å
18R90.9Very high89.5Confident210 Ų21079.1 Ų79.179%0.79237%0.373SS*.Hα-helixtrans-79.4-28.9175.1-70.1178.670.3-1781.5113.5E14 E15 L16E14-R18 WeakPolarHBondContact O-CG 3.27Å; E14-R18 PolarHBondContact O-N 3.07Å; E15-R18 PolarHBondContact O-N 3.12Å; E15-R18 VanDerWaalsContact O-N 3.12Å; L16-R18 PolarHBondContact O-N 2.66Å
19K87.9Confident89.8Confident115 Ų11583.9 Ų83.950%0.540%0.395SS..Hα-helixtrans-92.2-8.7-179.8-69.8-179.2173.4178.20113.6E15 L16E15-K19 HydrophobicContact CG-CD 4.16Å; E15-K19 PolarHBondContact O-N 2.88Å; E15-K19 WeakPolarHBondContact OE1-CE 3.28Å; E15-K19 IonicContact OE1-NZ 2.67Å; E15-K19 PolarHBondContact OE1-NZ 3.12Å; L16-K19 PolarHBondContact O-N 3.46Å
20T90.6Very high89.9Confident12 Ų1282.4 Ų82.47%0.07439%0.385CS..SBendtrans-127.5163.1-176.968.10000111.5L16 T17 F22 I86 Q87 S90L16-T20 VanDerWaalsContact O-CB 3.27Å; L16-T20 WeakPolarHBondContact O-CB 3.22Å; L16-T20 VanDerWaalsContact O-CG2 3.28Å; L16-T20 WeakPolarHBondContact O-CG2 3.4Å; L16-T20 PolarHBondContact O-N 3.35Å; L16-T20 PolarHBondContact O-OG1 2.88Å; T17-T20 VanDerWaalsContact O-O 3.07Å; T20-F22 PolarHBondContact O-N 3.19Å; T20-F22 PolarHBondContact OG1-N 3.26Å; T20-I86 HydrophobicContact CG2-CG2 4.37Å; T20-Q87 HydrophobicContact CG2-CG 3.98Å; T20-S90 VanDerWaalsContact CA-OG 3.27Å; T20-S90 WeakPolarHBondContact CA-OG 3.42Å; T20-S90 WeakPolarHBondContact CB-OG 3.24Å
21Y88.9Confident90.1Very high101 Ų10179.1 Ų79.140%0.39636%0.36SS..SBendtrans-86.717.3172.3-61.2-75.3000111.9S90 R94 E99Y21-S90 WeakPolarHBondContact CD2-OG 3.31Å; Y21-S90 PolarHBondContact N-OG 2.87Å; Y21-R94 HydrophobicContact CD2-CB 4.13Å; Y21-R94 HydrophobicContact CG-CB 4.02Å; Y21-R94 WeakPolarHBondContact O-CD 3.48Å; Y21-R94 PolarHBondContact O-NH1 3.46Å; Y21-E99 VanDerWaalsContact OH-CD 3.3Å; Y21-E99 PolarHBondContact OH-OE1 3.43Å; Y21-E99 VanDerWaalsContact OH-OE1 3.07Å; Y21-E99 PolarHBondContact OH-OE2 3.32Å
22F90.8Very high90Very high11 Ų1177.4 Ų77.45%0.04835%0.35CS..SBendtrans-101.5143.1178.4-67.4-60.5000111.1T20 E26 V27 I86 L89 S90T20-F22 PolarHBondContact O-N 3.19Å; T20-F22 PolarHBondContact OG1-N 3.26Å; F22-E26 HydrophobicContact CB-CB 4.09Å; F22-E26 HydrophobicContact CD1-CB 4.16Å; F22-E26 HydrophobicContact CG-CB 4.47Å; F22-V27 HydrophobicContact CB-CG2 3.83Å; F22-I86 HydrophobicContact CD2-CD1 3.62Å; F22-I86 HydrophobicContact CD2-CG1 3.88Å; F22-I86 HydrophobicContact CE2-CD1 3.66Å; F22-I86 HydrophobicContact CE2-CG1 4.25Å; F22-I86 HydrophobicContact CG-CD1 4.47Å; F22-L89 HydrophobicContact CE2-CB 4.46Å; F22-L89 HydrophobicContact CE2-CD2 4.46Å; F22-L89 HydrophobicContact CE2-CG 4.27Å; F22-L89 HydrophobicContact CZ-CD2 4.31Å; F22-L89 HydrophobicContact CZ-CG 4.13Å; F22-S90 VanDerWaalsContact CE2-CA 3.47Å
23T92.1Very high89.9Confident75 Ų7576.5 Ų76.546%0.4635%0.35SS..  trans-72.5157.9170.863.10000110.8K25 E26 V27T23-K25 PolarHBondContact O-N 2.8Å; T23-K25 VanDerWaalsContact O-N 3.11Å; T23-E26 PolarHBondContact N-OE2 3.43Å; T23-E26 WeakPolarHBondContact O-CB 3.48Å; T23-E26 PolarHBondContact O-N 2.9Å; T23-E26 VanDerWaalsContact OG1-CG 3.29Å; T23-E26 WeakPolarHBondContact OG1-CG 3.21Å; T23-E26 PolarHBondContact OG1-N 3.45Å; T23-E26 PolarHBondContact OG1-OE2 3.06Å; T23-V27 WeakPolarHBondContact O-CG2 3.15Å; T23-V27 PolarHBondContact O-N 3.4Å
24E92Very high89.7Confident104 Ų10476.9 Ų76.949%0.48635%0.352SS..Hα-helixtrans-50.4-39.9174.5157.9165.4-152.800112.5V13 V27 Q28V13-E24 HydrophobicContact CG1-CB 3.93Å; V13-E24 HydrophobicContact CG1-CG 3.58Å; E24-V27 PolarHBondContact O-N 2.9Å; E24-Q28 VanDerWaalsContact O-CG 3.31Å; E24-Q28 WeakPolarHBondContact O-CG 3.49Å; E24-Q28 PolarHBondContact O-N 3.37Å; E24-Q28 PolarHBondContact OE1-NE2 2.88Å; E24-Q28 VanDerWaalsContact OE1-NE2 3.12Å
25K90.9Very high89.6Confident166 Ų16672.4 Ų72.472%0.72233%0.331SS*.Hα-helixtrans-63.9-42.6178.2-69.5-175.6-178.9175.90112T23 Q28 Q29T23-K25 PolarHBondContact O-N 2.8Å; T23-K25 VanDerWaalsContact O-N 3.11Å; K25-Q28 PolarHBondContact O-N 2.98Å; K25-Q29 WeakPolarHBondContact O-CG 3.35Å; K25-Q29 PolarHBondContact O-N 2.82Å
26E90.6Very high89.2Confident44 Ų4476 Ų7621%0.20635%0.345CS..Hα-helixtrans-67.3-44.4178.3-70.4169134.500110.9F22 T23 Q28 Q29 W30 R94F22-E26 HydrophobicContact CB-CB 4.09Å; F22-E26 HydrophobicContact CD1-CB 4.16Å; F22-E26 HydrophobicContact CG-CB 4.47Å; T23-E26 PolarHBondContact N-OE2 3.43Å; T23-E26 WeakPolarHBondContact O-CB 3.48Å; T23-E26 PolarHBondContact O-N 2.9Å; T23-E26 VanDerWaalsContact OG1-CG 3.29Å; T23-E26 WeakPolarHBondContact OG1-CG 3.21Å; T23-E26 PolarHBondContact OG1-N 3.45Å; T23-E26 PolarHBondContact OG1-OE2 3.06Å; E26-Q28 VanDerWaalsContact C-N 3.3Å; E26-Q28 PolarHBondContact O-N 3.48Å; E26-Q29 PolarHBondContact O-N 2.88Å; E26-Q29 VanDerWaalsContact O-N 3.08Å; E26-W30 VanDerWaalsContact O-CD1 3.31Å; E26-W30 PolarHBondContact O-N 3.38Å; E26-R94 IonicContact OE1-CZ 2.67Å; E26-R94 IonicContact OE1-NH1 2.69Å; E26-R94 PolarHBondContact OE1-NH1 3.19Å; E26-R94 IonicContact OE1-NH2 3.4Å; E26-R94 PolarHBondContact OE1-NH2 3.21Å; E26-R94 IonicContact OE2-CZ 3.91Å; E26-R94 IonicContact OE2-NH1 3.9Å; E26-R94 PolarHBondContact OE2-NH1 3.41Å; E26-R94 IonicContact OE2-NH2 3.88Å
27V91.1Very high88.7Confident0 Ų081.4 Ų81.40%037%0.374CS..Hα-helixtrans-56.8-45.3175.4175.20000110.6L8 L16 F22 T23 E24 Q29 W30 Y31 F82L8-V27 HydrophobicContact CD1-CG1 4.07Å; L16-V27 HydrophobicContact CB-CG1 4.17Å; L16-V27 HydrophobicContact CD1-CG1 4.07Å; F22-V27 HydrophobicContact CB-CG2 3.83Å; T23-V27 WeakPolarHBondContact O-CG2 3.15Å; T23-V27 PolarHBondContact O-N 3.4Å; E24-V27 PolarHBondContact O-N 2.9Å; V27-Q29 VanDerWaalsContact C-N 3.35Å; V27-Q29 PolarHBondContact O-N 3.07Å; V27-W30 PolarHBondContact O-N 3.44Å; V27-Y31 WeakPolarHBondContact O-CB 3.32Å; V27-Y31 PolarHBondContact O-N 2.94Å; V27-F82 HydrophobicContact CG1-CE1 4Å; V27-F82 HydrophobicContact CG1-CZ 4.27Å; V27-F82 WeakPolarHBondContact O-CZ 3.4Å
28Q89.4Confident88.3Confident74 Ų7479.8 Ų79.835%0.34637%0.365SS..Hα-helixtrans-66.2-33.8177-71.3-178.318.800113.4V13 E24 K25 E26 K32V13-Q28 HydrophobicContact CG2-CG 4.47Å; E24-Q28 VanDerWaalsContact O-CG 3.31Å; E24-Q28 WeakPolarHBondContact O-CG 3.49Å; E24-Q28 PolarHBondContact O-N 3.37Å; E24-Q28 PolarHBondContact OE1-NE2 2.88Å; E24-Q28 VanDerWaalsContact OE1-NE2 3.12Å; K25-Q28 PolarHBondContact O-N 2.98Å; E26-Q28 VanDerWaalsContact C-N 3.3Å; E26-Q28 PolarHBondContact O-N 3.48Å; Q28-K32 WeakPolarHBondContact O-CG 3.19Å; Q28-K32 PolarHBondContact O-N 2.88Å
29Q89.1Confident87.8Confident133 Ų13374.5 Ų74.562%0.62136%0.358SS*.Hα-helixtrans-70.1-47176.4-77.7177.1-17.800111.4K25 E26 V27 Y31 K32 G33K25-Q29 WeakPolarHBondContact O-CG 3.35Å; K25-Q29 PolarHBondContact O-N 2.82Å; E26-Q29 PolarHBondContact O-N 2.88Å; E26-Q29 VanDerWaalsContact O-N 3.08Å; V27-Q29 VanDerWaalsContact C-N 3.35Å; V27-Q29 PolarHBondContact O-N 3.07Å; Q29-Y31 VanDerWaalsContact C-N 3.31Å; Q29-Y31 PolarHBondContact O-N 2.96Å; Q29-K32 PolarHBondContact O-N 2.79Å; Q29-G33 PolarHBondContact O-N 2.82Å
30W88.6Confident87.6Confident108 Ų10873.3 Ų73.341%0.40936%0.364SS..Hα-helixtrans-58.9-42.9174.3-82115.2000111.6E26 V27 K32 G33 F34 F82 F85 I86 L89E26-W30 VanDerWaalsContact O-CD1 3.31Å; E26-W30 PolarHBondContact O-N 3.38Å; V27-W30 PolarHBondContact O-N 3.44Å; W30-K32 VanDerWaalsContact C-N 3.32Å; W30-K32 PolarHBondContact O-N 3.4Å; W30-G33 PolarHBondContact O-N 2.98Å; W30-F34 WeakPolarHBondContact O-CB 3.27Å; W30-F34 PolarHBondContact O-N 3.39Å; W30-F82 HydrophobicContact CB-CE2 4.03Å; W30-F82 HydrophobicContact CB-CZ 4.12Å; W30-F85 HydrophobicContact CE3-CE1 4.02Å; W30-F85 HydrophobicContact CE3-CZ 4.42Å; W30-F85 HydrophobicContact CZ3-CE1 4.41Å; W30-F85 HydrophobicContact CZ3-CZ 4.36Å; W30-I86 HydrophobicContact CB-CD1 3.75Å; W30-I86 HydrophobicContact CG-CD1 3.71Å; W30-L89 HydrophobicContact CD2-CD2 3.94Å; W30-L89 HydrophobicContact CE3-CD2 4.13Å; W30-L89 HydrophobicContact CH2-CD2 3.83Å; W30-L89 HydrophobicContact CZ2-CD2 3.62Å; W30-L89 HydrophobicContact CZ3-CD2 4.08Å
31Y89.2Confident87.2Confident35 Ų3573.8 Ų73.814%0.13737%0.371CS..Hα-helixtrans-60.2-41.7176.6-176.2-110.2000112.7L8 V27 Q29 G33 F34 I35 F82L8-Y31 HydrophobicContact CD1-CD1 4.15Å; L8-Y31 HydrophobicContact CD1-CD2 3.75Å; L8-Y31 HydrophobicContact CD1-CE2 4.38Å; L8-Y31 HydrophobicContact CD1-CG 3.59Å; L8-Y31 HydrophobicContact CD2-CD1 4.43Å; L8-Y31 HydrophobicContact CD2-CD2 3.67Å; L8-Y31 HydrophobicContact CD2-CE1 4.24Å; L8-Y31 HydrophobicContact CD2-CE2 3.44Å; L8-Y31 VanDerWaalsContact CD2-CE2 3.44Å; L8-Y31 HydrophobicContact CD2-CG 4.15Å; L8-Y31 HydrophobicContact CG-CD1 3.67Å; L8-Y31 HydrophobicContact CG-CD2 3.6Å; L8-Y31 HydrophobicContact CG-CE1 3.82Å; L8-Y31 HydrophobicContact CG-CE2 3.75Å; L8-Y31 HydrophobicContact CG-CG 3.53Å; V27-Y31 WeakPolarHBondContact O-CB 3.32Å; V27-Y31 PolarHBondContact O-N 2.94Å; Q29-Y31 VanDerWaalsContact C-N 3.31Å; Q29-Y31 PolarHBondContact O-N 2.96Å; Y31-G33 VanDerWaalsContact C-N 3.34Å; Y31-G33 PolarHBondContact O-N 3.11Å; Y31-F34 PolarHBondContact O-N 2.81Å; Y31-I35 HydrophobicContact CD1-CG1 4.17Å; Y31-I35 HydrophobicContact CD2-CG1 4.11Å; Y31-I35 HydrophobicContact CE1-CD1 4.48Å; Y31-I35 HydrophobicContact CE1-CG1 3.78Å; Y31-I35 HydrophobicContact CE2-CD1 3.87Å; Y31-I35 HydrophobicContact CE2-CG1 3.71Å; Y31-I35 HydrophobicContact CG-CG1 4.35Å; Y31-I35 WeakPolarHBondContact O-CB 3.48Å; Y31-I35 VanDerWaalsContact O-CG1 3.32Å; Y31-I35 WeakPolarHBondContact O-CG1 3.22Å; Y31-I35 PolarHBondContact O-N 3.48Å; Y31-F82 HydrophobicContact CD2-CB 4.12Å; Y31-F82 AromaticContact CD2-CD1 3.55Å; Y31-F82 HydrophobicContact CD2-CD1 3.55Å; Y31-F82 AromaticContact CD2-CD2 3.9Å; Y31-F82 HydrophobicContact CD2-CD2 3.9Å; Y31-F82 AromaticContact CD2-CE1 3.91Å; Y31-F82 HydrophobicContact CD2-CE1 3.91Å; Y31-F82 HydrophobicContact CD2-CE2 4.23Å; Y31-F82 AromaticContact CD2-CG 3.54Å; Y31-F82 HydrophobicContact CD2-CG 3.54Å; Y31-F82 HydrophobicContact CD2-CZ 4.23Å; Y31-F82 HydrophobicContact CE2-CB 4.31Å; Y31-F82 HydrophobicContact CE2-CD1 4.28Å; Y31-F82 HydrophobicContact CE2-CG 4.2Å; Y31-F82 HydrophobicContact CG-CD1 4.41Å; Y31-F82 HydrophobicContact CG-CE1 4.34Å; Y31-F82 HydrophobicContact CG-CZ 4.43Å; Y31-F82 VanDerWaalsContact N-CE2 3.34Å
32K87.8Confident87Confident116 Ų11671.7 Ų71.750%0.50437%0.365SS..Hα-helixtrans-63.6-40.7176.3-75.1172.8-175.6173.50112Q28 Q29 W30 K36Q28-K32 WeakPolarHBondContact O-CG 3.19Å; Q28-K32 PolarHBondContact O-N 2.88Å; Q29-K32 PolarHBondContact O-N 2.79Å; W30-K32 VanDerWaalsContact C-N 3.32Å; W30-K32 PolarHBondContact O-N 3.4Å; K32-K36 VanDerWaalsContact O-CB 3.29Å; K32-K36 WeakPolarHBondContact O-CB 3.37Å; K32-K36 PolarHBondContact O-N 3.49Å; K32-K36 VanDerWaalsContact O-N 3.08Å
33G85.9Confident86.7Confident28 Ų2871.6 Ų71.629%0.28936%0.364SS..Hα-helixtrans-62.4-50.7173.700000111.2Q29 W30 Y31 I35 K36 D37Q29-G33 PolarHBondContact O-N 2.82Å; W30-G33 PolarHBondContact O-N 2.98Å; Y31-G33 VanDerWaalsContact C-N 3.34Å; Y31-G33 PolarHBondContact O-N 3.11Å; G33-I35 PolarHBondContact O-N 3.15Å; G33-K36 WeakPolarHBondContact O-CB 3.18Å; G33-K36 PolarHBondContact O-N 2.96Å; G33-D37 PolarHBondContact O-N 3.22Å
34F85.3Confident86.6Confident11 Ų1171.2 Ų71.25%0.04836%0.36CS..Hα-helixtrans-57.4-45.5179.6-170-92.2000112.6W30 Y31 K36 D37 C38 G41 L43 F82 F85W30-F34 WeakPolarHBondContact O-CB 3.27Å; W30-F34 PolarHBondContact O-N 3.39Å; Y31-F34 PolarHBondContact O-N 2.81Å; F34-K36 VanDerWaalsContact C-N 3.34Å; F34-K36 PolarHBondContact O-N 2.93Å; F34-D37 PolarHBondContact O-N 2.95Å; F34-C38 HydrophobicContact CE1-CB 4.31Å; F34-C38 WeakPolarHBondContact O-CA 3.29Å; F34-C38 VanDerWaalsContact O-CB 3.27Å; F34-C38 WeakPolarHBondContact O-CB 3.47Å; F34-C38 PolarHBondContact O-N 3.22Å; F34-G41 WeakPolarHBondContact CE1-O 3.08Å; F34-L43 HydrophobicContact CE2-CB 4.12Å; F34-L43 HydrophobicContact CE2-CD2 4.39Å; F34-L43 HydrophobicContact CZ-CB 3.92Å; F34-F82 HydrophobicContact CB-CD2 3.77Å; F34-F82 HydrophobicContact CB-CE2 4.16Å; F34-F82 HydrophobicContact CD1-CB 4.06Å; F34-F82 HydrophobicContact CD1-CD2 4.04Å; F34-F82 HydrophobicContact CD2-CD2 4.29Å; F34-F82 HydrophobicContact CE1-CB 4.13Å; F34-F82 AromaticContact CG-CD2 3.78Å; F34-F82 HydrophobicContact CG-CD2 3.78Å; F34-F85 HydrophobicContact CD2-CB 4.45Å; F34-F85 AromaticContact CD2-CD1 3.92Å; F34-F85 HydrophobicContact CD2-CD1 3.92Å; F34-F85 HydrophobicContact CD2-CE1 4.34Å; F34-F85 HydrophobicContact CD2-CG 4.05Å; F34-F85 HydrophobicContact CE2-CB 4.04Å; F34-F85 HydrophobicContact CE2-CD1 4.33Å; F34-F85 HydrophobicContact CE2-CD2 4.4Å; F34-F85 AromaticContact CE2-CG 3.99Å; F34-F85 HydrophobicContact CE2-CG 3.99Å
35I86.6Confident86.3Confident31 Ų3167.9 Ų67.916%0.15935%0.35CS..Hα-helixtrans-70-30.2176.9-65.4-67000112.5Y31 G33 C38 P39Y31-I35 HydrophobicContact CD1-CG1 4.17Å; Y31-I35 HydrophobicContact CD2-CG1 4.11Å; Y31-I35 HydrophobicContact CE1-CD1 4.48Å; Y31-I35 HydrophobicContact CE1-CG1 3.78Å; Y31-I35 HydrophobicContact CE2-CD1 3.87Å; Y31-I35 HydrophobicContact CE2-CG1 3.71Å; Y31-I35 HydrophobicContact CG-CG1 4.35Å; Y31-I35 WeakPolarHBondContact O-CB 3.48Å; Y31-I35 VanDerWaalsContact O-CG1 3.32Å; Y31-I35 WeakPolarHBondContact O-CG1 3.22Å; Y31-I35 PolarHBondContact O-N 3.48Å; G33-I35 PolarHBondContact O-N 3.15Å; I35-C38 CarbonylContact O-C 3.58Å; I35-P39 VanDerWaalsContact O-CA 3.28Å; I35-P39 WeakPolarHBondContact O-CA 3.42Å
36K84.9Confident86Confident170 Ų17065.2 Ų65.274%0.73934%0.343SS*.Hα-helixtrans-66.8-42.5175.6-178.3-171173-164.20110.8K32 G33 F34K32-K36 VanDerWaalsContact O-CB 3.29Å; K32-K36 WeakPolarHBondContact O-CB 3.37Å; K32-K36 PolarHBondContact O-N 3.49Å; K32-K36 VanDerWaalsContact O-N 3.08Å; G33-K36 WeakPolarHBondContact O-CB 3.18Å; G33-K36 PolarHBondContact O-N 2.96Å; F34-K36 VanDerWaalsContact C-N 3.34Å; F34-K36 PolarHBondContact O-N 2.93Å
37D79.5Confident85.7Confident118 Ų11863.9 Ų63.963%0.63134%0.341SS*.Hα-helixtrans-84.5-31.2-177.4-60.1-23.3000111.6G33 F34G33-D37 PolarHBondContact O-N 3.22Å; F34-D37 PolarHBondContact O-N 2.95Å
38C82.3Confident85.5Confident13 Ų1364.3 Ų64.39%0.08834%0.343CS..  trans-124.982177.4-54.10000110.5F34 I35 S40 G41F34-C38 HydrophobicContact CE1-CB 4.31Å; F34-C38 WeakPolarHBondContact O-CA 3.29Å; F34-C38 VanDerWaalsContact O-CB 3.27Å; F34-C38 WeakPolarHBondContact O-CB 3.47Å; F34-C38 PolarHBondContact O-N 3.22Å; I35-C38 CarbonylContact O-C 3.58Å; C38-S40 PolarHBondContact O-N 3.38Å; C38-G41 PolarHBondContact O-N 3.36Å
39P81.3Confident85.2Confident100 Ų10062.9 Ų62.965%0.64934%0.336SS*.THydrogen-bonded Turntrans-60-19.9-177-26.235.3000115.2I35 G41I35-P39 VanDerWaalsContact O-CA 3.28Å; I35-P39 WeakPolarHBondContact O-CA 3.42Å; P39-G41 VanDerWaalsContact C-N 3.26Å
40S82.2Confident85Confident90 Ų9063.4 Ų63.463%0.62934%0.336SS*.THydrogen-bonded Turntrans-69.2-18.7172.342.10000113.6C38 Q42C38-S40 PolarHBondContact O-N 3.38Å; S40-Q42 PolarHBondContact O-N 2.91Å; S40-Q42 PolarHBondContact OG-O 3.01Å
41G82.6Confident84.6Confident21 Ų2161 Ų6122%0.21633%0.331CS..SBendtrans74.111.6-169.800000114.2F34 C38 P39F34-G41 WeakPolarHBondContact CE1-O 3.08Å; C38-G41 PolarHBondContact O-N 3.36Å; P39-G41 VanDerWaalsContact C-N 3.26Å
42Q84Confident83.9Confident58 Ų5860.5 Ų60.527%0.27133%0.329SS..EExtended strand (participates in β ladder)trans-141.7141.3177.9-68.2179.3-27.300109.1S40 R79 E81S40-Q42 PolarHBondContact O-N 2.91Å; S40-Q42 PolarHBondContact OG-O 3.01Å; Q42-R79 HydrophobicContact CB-CB 4.42Å; Q42-E81 HydrophobicContact CG-CG 4.45Å; Q42-E81 PolarHBondContact NE2-OE1 3.32Å
43L86.4Confident83.6Confident8 Ų859.3 Ų59.34%0.04232%0.324CS..EExtended strand (participates in β ladder)trans-108.7114.3177.4178.854.6000109F34 G47 F48 I51 I80F34-L43 HydrophobicContact CE2-CB 4.12Å; F34-L43 HydrophobicContact CE2-CD2 4.39Å; F34-L43 HydrophobicContact CZ-CB 3.92Å; L43-G47 VanDerWaalsContact CD1-C 3.49Å; L43-F48 HydrophobicContact CD2-CB 4.35Å; L43-F48 HydrophobicContact CD2-CD2 3.63Å; L43-F48 HydrophobicContact CD2-CE2 4.49Å; L43-F48 HydrophobicContact CD2-CG 4.48Å; L43-F48 HydrophobicContact CG-CB 4.2Å; L43-F48 HydrophobicContact CG-CD2 4.28Å; L43-I51 HydrophobicContact CD1-CD1 4.08Å; L43-I51 HydrophobicContact CD2-CD1 3.91Å; L43-I80 HydrophobicContact CB-CB 4.35Å; L43-I80 PolarHBondContact N-O 2.78Å; L43-I80 PolarHBondContact O-N 3.2Å
44D88.3Confident83.3Confident67 Ų6765.2 Ų65.236%0.35834%0.344SS..EExtended strand (participates in β ladder)trans-81.8165.4175.563.514.2000111.5L46 G47 F48D44-L46 PolarHBondContact O-N 3.47Å; D44-G47 PolarHBondContact O-N 3.46Å; D44-G47 VanDerWaalsContact O-N 3.08Å; D44-G47 WeakPolarHBondContact OD1-CA 3.3Å; D44-G47 PolarHBondContact OD1-N 2.87Å; D44-F48 PolarHBondContact O-N 3.08Å
45A85.6Confident82.7Confident35 Ų3571.6 Ų71.629%0.28937%0.372SS..Hα-helixtrans-55.8-36.9-178.800000112.6F48 Q49 F69A45-F48 PolarHBondContact O-N 3.03Å; A45-Q49 WeakPolarHBondContact O-CB 3.49Å; A45-Q49 VanDerWaalsContact O-CG 3.28Å; A45-Q49 WeakPolarHBondContact O-CG 3.3Å; A45-Q49 PolarHBondContact O-N 3.01Å; A45-F69 VanDerWaalsContact CA-CE2 3.46Å; A45-F69 HydrophobicContact CB-CD1 4.1Å; A45-F69 HydrophobicContact CB-CD2 4.12Å; A45-F69 HydrophobicContact CB-CE1 4.03Å; A45-F69 HydrophobicContact CB-CE2 4.03Å; A45-F69 HydrophobicContact CB-CG 4.16Å; A45-F69 HydrophobicContact CB-CZ 3.99Å; A45-F69 VanDerWaalsContact N-CE2 3.28Å
46L85.7Confident82Confident110 Ų11071.5 Ų71.558%0.57637%0.371SS*.Hα-helixtrans-67.5-41.8177.7-68.8177.1000112.2D44 F48 K50D44-L46 PolarHBondContact O-N 3.47Å; L46-F48 VanDerWaalsContact C-N 3.35Å; L46-K50 VanDerWaalsContact O-CG 3.27Å; L46-K50 WeakPolarHBondContact O-CG 3.16Å; L46-K50 PolarHBondContact O-N 3.36Å
47G85.1Confident81.5Confident15 Ų1566.9 Ų66.916%0.15536%0.358CS..Hα-helixtrans-62.6-43.7173.500000111.3L43 D44 K50 I51L43-G47 VanDerWaalsContact CD1-C 3.49Å; D44-G47 PolarHBondContact O-N 3.46Å; D44-G47 VanDerWaalsContact O-N 3.08Å; D44-G47 WeakPolarHBondContact OD1-CA 3.3Å; D44-G47 PolarHBondContact OD1-N 2.87Å; G47-K50 WeakPolarHBondContact O-CB 3.48Å; G47-K50 PolarHBondContact O-N 2.87Å; G47-I51 WeakPolarHBondContact O-CG1 3.41Å; G47-I51 PolarHBondContact O-N 3.43Å; G47-I51 VanDerWaalsContact O-N 3.1Å
48F84.9Confident81.4Confident10 Ų1070 Ų704%0.04437%0.366CS..Hα-helixtrans-62.4-45.7178.7-164.5-95.9000111.8L43 D44 A45 L46 K50 I51 Y52 A65 V68 F69 I80L43-F48 HydrophobicContact CD2-CB 4.35Å; L43-F48 HydrophobicContact CD2-CD2 3.63Å; L43-F48 HydrophobicContact CD2-CE2 4.49Å; L43-F48 HydrophobicContact CD2-CG 4.48Å; L43-F48 HydrophobicContact CG-CB 4.2Å; L43-F48 HydrophobicContact CG-CD2 4.28Å; D44-F48 PolarHBondContact O-N 3.08Å; A45-F48 PolarHBondContact O-N 3.03Å; L46-F48 VanDerWaalsContact C-N 3.35Å; F48-K50 VanDerWaalsContact C-N 3.34Å; F48-K50 PolarHBondContact O-N 2.86Å; F48-I51 WeakPolarHBondContact O-CB 3.33Å; F48-I51 PolarHBondContact O-N 3.15Å; F48-Y52 HydrophobicContact CD1-CD2 4Å; F48-Y52 HydrophobicContact CD1-CE2 4.1Å; F48-Y52 AromaticContact CE1-CD2 3.65Å; F48-Y52 HydrophobicContact CE1-CD2 3.65Å; F48-Y52 AromaticContact CE1-CE2 3.29Å; F48-Y52 HydrophobicContact CE1-CE2 3.29Å; F48-Y52 HydrophobicContact CE2-CE2 4.31Å; F48-Y52 HydrophobicContact CZ-CD2 4.11Å; F48-Y52 AromaticContact CZ-CE2 3.42Å; F48-Y52 HydrophobicContact CZ-CE2 3.42Å; F48-Y52 VanDerWaalsContact CZ-CE2 3.42Å; F48-Y52 PolarHBondContact O-N 3.17Å; F48-Y52 VanDerWaalsContact O-N 3.12Å; F48-A65 HydrophobicContact CD1-CB 4.14Å; F48-A65 WeakPolarHBondContact CD1-O 3.28Å; F48-A65 HydrophobicContact CE1-CB 4.4Å; F48-A65 WeakPolarHBondContact CE1-O 3.31Å; F48-V68 HydrophobicContact CE1-CB 3.97Å; F48-V68 HydrophobicContact CE1-CG1 3.9Å; F48-V68 HydrophobicContact CZ-CB 4.26Å; F48-V68 HydrophobicContact CZ-CG1 3.66Å; F48-F69 HydrophobicContact CB-CD2 3.76Å; F48-F69 HydrophobicContact CB-CE2 4.39Å; F48-F69 HydrophobicContact CD1-CB 4.06Å; F48-F69 HydrophobicContact CD1-CD2 4.32Å; F48-F69 HydrophobicContact CD2-CD2 4.44Å; F48-F69 HydrophobicContact CE1-CB 4.42Å; F48-F69 AromaticContact CG-CD2 3.94Å; F48-F69 HydrophobicContact CG-CD2 3.94Å; F48-I80 HydrophobicContact CD2-CD1 3.74Å; F48-I80 HydrophobicContact CE2-CD1 3.94Å; F48-I80 HydrophobicContact CG-CD1 4.36Å
49Q84.3Confident81.1Confident43 Ų4369.9 Ų69.920%0.20137%0.367CS..Hα-helixtrans-61-40.1174.6-741743.700112.4A45 I51 Y52 K53 A65 S66A45-Q49 WeakPolarHBondContact O-CB 3.49Å; A45-Q49 VanDerWaalsContact O-CG 3.28Å; A45-Q49 WeakPolarHBondContact O-CG 3.3Å; A45-Q49 PolarHBondContact O-N 3.01Å; Q49-I51 VanDerWaalsContact C-N 3.32Å; Q49-I51 PolarHBondContact O-N 2.94Å; Q49-Y52 PolarHBondContact O-N 2.81Å; Q49-K53 WeakPolarHBondContact O-CB 3.37Å; Q49-K53 PolarHBondContact O-N 3.43Å; Q49-A65 HydrophobicContact CG-CB 3.94Å; Q49-S66 PolarHBondContact NE2-OG 2.67Å
50K83.8Confident81.3Confident144 Ų14468.4 Ų68.463%0.62635%0.354SS*.Hα-helixtrans-61.3-40.8176.5-76.9170.4-175.8173.60112.1L46 G47 F48 K53 Q54L46-K50 VanDerWaalsContact O-CG 3.27Å; L46-K50 WeakPolarHBondContact O-CG 3.16Å; L46-K50 PolarHBondContact O-N 3.36Å; G47-K50 WeakPolarHBondContact O-CB 3.48Å; G47-K50 PolarHBondContact O-N 2.87Å; F48-K50 VanDerWaalsContact C-N 3.34Å; F48-K50 PolarHBondContact O-N 2.86Å; K50-K53 PolarHBondContact O-N 3.49Å; K50-Q54 WeakPolarHBondContact O-CG 3.39Å; K50-Q54 PolarHBondContact O-N 3.45Å
51I80.8Confident81.3Confident59 Ų5964.2 Ų64.230%0.30332%0.324SS..Hα-helixtrans-61.3-51.1176.4-66.9166.2000109.5L43 G47 F48 Q49 K53 Q54 F55L43-I51 HydrophobicContact CD1-CD1 4.08Å; L43-I51 HydrophobicContact CD2-CD1 3.91Å; G47-I51 WeakPolarHBondContact O-CG1 3.41Å; G47-I51 PolarHBondContact O-N 3.43Å; G47-I51 VanDerWaalsContact O-N 3.1Å; F48-I51 WeakPolarHBondContact O-CB 3.33Å; F48-I51 PolarHBondContact O-N 3.15Å; Q49-I51 VanDerWaalsContact C-N 3.32Å; Q49-I51 PolarHBondContact O-N 2.94Å; I51-K53 VanDerWaalsContact C-N 3.29Å; I51-K53 PolarHBondContact O-N 3.45Å; I51-Q54 WeakPolarHBondContact O-CB 3.5Å; I51-Q54 PolarHBondContact O-N 2.96Å; I51-F55 HydrophobicContact CG2-CD2 4.01Å; I51-F55 HydrophobicContact CG2-CE2 3.63Å; I51-F55 VanDerWaalsContact O-CD2 3.24Å; I51-F55 WeakPolarHBondContact O-CD2 3.23Å; I51-F55 PolarHBondContact O-N 3.17Å
52Y75.9Confident81.5Confident24 Ų2465.9 Ų65.99%0.09433%0.331CS..Hα-helixtrans-59.3-38.1177-95.3-100000112.8F48 Q49 Q54 F55 F56 P61 F64 A65 M131F48-Y52 HydrophobicContact CD1-CD2 4Å; F48-Y52 HydrophobicContact CD1-CE2 4.1Å; F48-Y52 AromaticContact CE1-CD2 3.65Å; F48-Y52 HydrophobicContact CE1-CD2 3.65Å; F48-Y52 AromaticContact CE1-CE2 3.29Å; F48-Y52 HydrophobicContact CE1-CE2 3.29Å; F48-Y52 HydrophobicContact CE2-CE2 4.31Å; F48-Y52 HydrophobicContact CZ-CD2 4.11Å; F48-Y52 AromaticContact CZ-CE2 3.42Å; F48-Y52 HydrophobicContact CZ-CE2 3.42Å; F48-Y52 VanDerWaalsContact CZ-CE2 3.42Å; F48-Y52 PolarHBondContact O-N 3.17Å; F48-Y52 VanDerWaalsContact O-N 3.12Å; Q49-Y52 PolarHBondContact O-N 2.81Å; Y52-Q54 PolarHBondContact O-N 3.17Å; Y52-F55 PolarHBondContact O-N 3.38Å; Y52-F55 VanDerWaalsContact O-N 3.15Å; Y52-F56 HydrophobicContact CD1-CD2 4.06Å; Y52-F56 AromaticContact CD1-CE2 3.99Å; Y52-F56 HydrophobicContact CD1-CE2 3.99Å; Y52-F56 HydrophobicContact CE1-CE2 4.28Å; Y52-F56 WeakPolarHBondContact O-CD2 3.45Å; Y52-F56 PolarHBondContact O-N 2.93Å; Y52-P61 HydrophobicContact CD1-CB 4.32Å; Y52-F64 HydrophobicContact CD1-CD1 4.4Å; Y52-F64 AromaticContact CE1-CD1 3.87Å; Y52-F64 HydrophobicContact CE1-CD1 3.87Å; Y52-F64 AromaticContact CE1-CE1 3.94Å; Y52-F64 HydrophobicContact CE1-CE1 3.94Å; Y52-A65 HydrophobicContact CD1-CB 4.33Å; Y52-A65 HydrophobicContact CD2-CB 4.12Å; Y52-A65 HydrophobicContact CG-CB 3.85Å; Y52-M131 HydrophobicContact CD1-SD 4.13Å; Y52-M131 HydrophobicContact CE1-SD 4.32Å
53K80.6Confident81.7Confident90 Ų9067.1 Ų67.139%0.39134%0.335SS..Hα-helixtrans-64.4-27176.2-164.666.1175.6-175.50113.3Q49 K50 I51 F56 P57 G59 P61Q49-K53 WeakPolarHBondContact O-CB 3.37Å; Q49-K53 PolarHBondContact O-N 3.43Å; K50-K53 PolarHBondContact O-N 3.49Å; I51-K53 VanDerWaalsContact C-N 3.29Å; I51-K53 PolarHBondContact O-N 3.45Å; K53-F56 CarbonylContact O-C 3.46Å; K53-P57 WeakPolarHBondContact O-CA 3.39Å; K53-G59 PolarHBondContact NZ-O 2.83Å; K53-P61 HydrophobicContact CB-CG 4.24Å; K53-P61 HydrophobicContact CD-CG 3.86Å
54Q78.8Confident81.6Confident153 Ų15367 Ų6772%0.71534%0.335SS*.Hα-helixtrans-72.1-36.6173.4-69.8177.2-7.500112.3K50 I51 Y52K50-Q54 WeakPolarHBondContact O-CG 3.39Å; K50-Q54 PolarHBondContact O-N 3.45Å; I51-Q54 WeakPolarHBondContact O-CB 3.5Å; I51-Q54 PolarHBondContact O-N 2.96Å; Y52-Q54 PolarHBondContact O-N 3.17Å
55F73Confident81.6Confident145 Ų14563.9 Ų63.964%0.63632%0.317SS*.Hα-helixtrans-76.8-34176.6-70.5-72.5000112.9I51 Y52 P57I51-F55 HydrophobicContact CG2-CD2 4.01Å; I51-F55 HydrophobicContact CG2-CE2 3.63Å; I51-F55 VanDerWaalsContact O-CD2 3.24Å; I51-F55 WeakPolarHBondContact O-CD2 3.23Å; I51-F55 PolarHBondContact O-N 3.17Å; Y52-F55 PolarHBondContact O-N 3.38Å; Y52-F55 VanDerWaalsContact O-N 3.15Å; F55-P57 WeakPolarHBondContact O-CD 3.34Å
56F71.5Confident81.7Confident29 Ų2963.8 Ų63.813%0.12732%0.315CS..  trans-119.165.3-179.3-56.9-83000111.4Y52 K53 F58 P61 M131 L189Y52-F56 HydrophobicContact CD1-CD2 4.06Å; Y52-F56 AromaticContact CD1-CE2 3.99Å; Y52-F56 HydrophobicContact CD1-CE2 3.99Å; Y52-F56 HydrophobicContact CE1-CE2 4.28Å; Y52-F56 WeakPolarHBondContact O-CD2 3.45Å; Y52-F56 PolarHBondContact O-N 2.93Å; K53-F56 CarbonylContact O-C 3.46Å; F56-F58 PolarHBondContact O-N 2.83Å; F56-P61 HydrophobicContact CB-CB 4.34Å; F56-P61 HydrophobicContact CB-CG 4.28Å; F56-M131 HydrophobicContact CB-CG 4.09Å; F56-M131 HydrophobicContact CD1-CG 3.86Å; F56-M131 HydrophobicContact CD1-SD 4.37Å; F56-M131 HydrophobicContact CD2-CG 4.08Å; F56-M131 HydrophobicContact CD2-SD 3.88Å; F56-M131 HydrophobicContact CE1-CE 4.34Å; F56-M131 HydrophobicContact CE1-CG 4.36Å; F56-M131 HydrophobicContact CE1-SD 4.4Å; F56-M131 HydrophobicContact CE2-SD 3.96Å; F56-M131 HydrophobicContact CG-CG 3.72Å; F56-M131 HydrophobicContact CG-SD 4.13Å; F56-M131 HydrophobicContact CZ-CE 4.29Å; F56-M131 HydrophobicContact CZ-SD 4.24Å; F56-L189 HydrophobicContact CE1-CD1 3.44Å; F56-L189 VanDerWaalsContact CE1-CD1 3.44Å; F56-L189 HydrophobicContact CE1-CD2 3.34Å; F56-L189 HydrophobicContact CE1-CG 3.89Å; F56-L189 HydrophobicContact CZ-CB 3.98Å; F56-L189 HydrophobicContact CZ-CD1 3.45Å; F56-L189 VanDerWaalsContact CZ-CD1 3.45Å; F56-L189 HydrophobicContact CZ-CD2 3.57Å; F56-L189 HydrophobicContact CZ-CG 3.8Å
57P75.7Confident81.8Confident72 Ų7260.2 Ų60.247%0.46830%0.295SS..THydrogen-bonded Turntrans-68.8-22.5-174.227.5-34.4000113.1K53 F55K53-P57 WeakPolarHBondContact O-CA 3.39Å; F55-P57 WeakPolarHBondContact O-CD 3.34Å
58F76.4Confident81.8Confident183 Ų18359.6 Ų59.680%0.80329%0.288SS*.THydrogen-bonded Turntrans-92.6-17.9-174.3-56.8-69.9000114.5F56F56-F58 PolarHBondContact O-N 2.83Å
59G77.4Confident82Confident12 Ų1259.4 Ų59.412%0.12429%0.287CS..SBendtrans-109.9-171.4176.300000112.8K53 P61 Q130 M131K53-G59 PolarHBondContact NZ-O 2.83Å; G59-P61 WeakPolarHBondContact O-CD 3.32Å; G59-Q130 CarbonylContact C-O 3.57Å; G59-Q130 WeakPolarHBondContact CA-O 3.2Å; G59-M131 WeakPolarHBondContact CA-O 3.16Å
60D83.6Confident82.1Confident69 Ų6962.1 Ų62.137%0.36930%0.303SS..  trans-110.392171.7-169.94000111.3T62 Q130D60-T62 PolarHBondContact O-N 2.93Å; D60-T62 WeakPolarHBondContact OD1-CB 3.27Å; D60-T62 PolarHBondContact OD1-N 2.89Å; D60-T62 PolarHBondContact OD1-OG1 2.73Å; D60-Q130 PolarHBondContact N-O 2.8Å
61P82.8Confident82.2Confident1 Ų156.1 Ų56.11%0.00628%0.279CS..  trans-78.10.4177.932-34.6000113.2Y52 K53 F56 G59 K63 F64 A65 M131Y52-P61 HydrophobicContact CD1-CB 4.32Å; K53-P61 HydrophobicContact CB-CG 4.24Å; K53-P61 HydrophobicContact CD-CG 3.86Å; F56-P61 HydrophobicContact CB-CB 4.34Å; F56-P61 HydrophobicContact CB-CG 4.28Å; G59-P61 WeakPolarHBondContact O-CD 3.32Å; P61-K63 PolarHBondContact O-N 3.35Å; P61-F64 PolarHBondContact O-N 3.37Å; P61-A65 WeakPolarHBondContact O-CB 3.29Å; P61-A65 PolarHBondContact O-N 2.88Å; P61-M131 HydrophobicContact CB-CB 4.49Å; P61-M131 HydrophobicContact CB-CG 3.88Å; P61-M131 HydrophobicContact CB-SD 4.09Å
62T87.2Confident82.5Confident57 Ų5754 Ų5435%0.3527%0.267SS..Hα-helixtrans-59.1-47.2-168.5-540000112.3D60 S66D60-T62 PolarHBondContact O-N 2.93Å; D60-T62 WeakPolarHBondContact OD1-CB 3.27Å; D60-T62 PolarHBondContact OD1-N 2.89Å; D60-T62 PolarHBondContact OD1-OG1 2.73Å; T62-S66 PolarHBondContact O-N 3.04Å; T62-S66 PolarHBondContact O-OG 2.75Å
63K87.3Confident83.1Confident84 Ų8453.2 Ų53.237%0.36527%0.265SS..Hα-helixtrans-63.6-51.9176.7-78.1-171.9179.7-176.80111.4P61 A65 S66 F67 D126 A127P61-K63 PolarHBondContact O-N 3.35Å; K63-A65 PolarHBondContact O-N 3.4Å; K63-S66 WeakPolarHBondContact O-CB 3.34Å; K63-S66 PolarHBondContact O-N 3.48Å; K63-F67 HydrophobicContact CB-CE2 4.38Å; K63-F67 WeakPolarHBondContact O-CD2 3.14Å; K63-F67 PolarHBondContact O-N 3.08Å; K63-F67 VanDerWaalsContact O-N 3.09Å; K63-D126 IonicContact NZ-OD2 3.2Å; K63-D126 PolarHBondContact NZ-OD2 3.49Å; K63-A127 HydrophobicContact CB-CB 3.76Å; K63-A127 HydrophobicContact CD-CB 4.49Å
64F85.8Confident83.2Confident6 Ų654.7 Ų54.73%0.02627%0.273CS..Hα-helixtrans-61.8-44.8-176.9-174.5-100.5000112.2Y52 P61 S66 F67 V68 L107 A127 I128 M131Y52-F64 HydrophobicContact CD1-CD1 4.4Å; Y52-F64 AromaticContact CE1-CD1 3.87Å; Y52-F64 HydrophobicContact CE1-CD1 3.87Å; Y52-F64 AromaticContact CE1-CE1 3.94Å; Y52-F64 HydrophobicContact CE1-CE1 3.94Å; P61-F64 PolarHBondContact O-N 3.37Å; F64-S66 PolarHBondContact O-N 2.82Å; F64-F67 PolarHBondContact O-N 3.22Å; F64-F67 VanDerWaalsContact O-N 3.1Å; F64-V68 HydrophobicContact CD1-CG2 3.98Å; F64-V68 HydrophobicContact CE1-CG2 3.54Å; F64-V68 HydrophobicContact CE2-CG2 4.39Å; F64-V68 HydrophobicContact CZ-CG2 3.77Å; F64-V68 WeakPolarHBondContact O-CG2 3.45Å; F64-V68 PolarHBondContact O-N 2.99Å; F64-L107 HydrophobicContact CE2-CD2 4.26Å; F64-L107 HydrophobicContact CZ-CD2 4.37Å; F64-A127 HydrophobicContact CB-CB 4.11Å; F64-I128 HydrophobicContact CD2-CD1 4.46Å; F64-I128 HydrophobicContact CD2-CG1 3.6Å; F64-I128 HydrophobicContact CE2-CD1 3.98Å; F64-I128 HydrophobicContact CE2-CG1 3.54Å; F64-I128 HydrophobicContact CZ-CG1 4.46Å; F64-M131 HydrophobicContact CB-SD 4.11Å; F64-M131 HydrophobicContact CD1-CE 3.72Å; F64-M131 HydrophobicContact CD1-SD 3.41Å; F64-M131 WeakPolarHBondContact CD1-SD 3.48Å; F64-M131 HydrophobicContact CE1-CE 3.88Å; F64-M131 HydrophobicContact CE1-SD 4.09Å; F64-M131 HydrophobicContact CG-CE 4.16Å; F64-M131 HydrophobicContact CG-SD 3.94Å; F64-M131 HydrophobicContact CZ-CE 4.47Å
65A86.9Confident83.7Confident0 Ų051.3 Ų51.30%026%0.26CS..Hα-helixtrans-59.6-33.8175.300000111.9F48 Q49 Y52 P61 K63 F69F48-A65 HydrophobicContact CD1-CB 4.14Å; F48-A65 WeakPolarHBondContact CD1-O 3.28Å; F48-A65 HydrophobicContact CE1-CB 4.4Å; F48-A65 WeakPolarHBondContact CE1-O 3.31Å; Q49-A65 HydrophobicContact CG-CB 3.94Å; Y52-A65 HydrophobicContact CD1-CB 4.33Å; Y52-A65 HydrophobicContact CD2-CB 4.12Å; Y52-A65 HydrophobicContact CG-CB 3.85Å; P61-A65 WeakPolarHBondContact O-CB 3.29Å; P61-A65 PolarHBondContact O-N 2.88Å; K63-A65 PolarHBondContact O-N 3.4Å; A65-F69 WeakPolarHBondContact O-CB 3.23Å; A65-F69 PolarHBondContact O-N 3.49Å
66S88.4Confident84.3Confident34 Ų3451 Ų5124%0.23826%0.258CS..Hα-helixtrans-70.1-38.1175.6-53.50000112.2Q49 T62 K63 F64 F69 N70Q49-S66 PolarHBondContact NE2-OG 2.67Å; T62-S66 PolarHBondContact O-N 3.04Å; T62-S66 PolarHBondContact O-OG 2.75Å; K63-S66 WeakPolarHBondContact O-CB 3.34Å; K63-S66 PolarHBondContact O-N 3.48Å; F64-S66 PolarHBondContact O-N 2.82Å; S66-F69 WeakPolarHBondContact O-CB 3.41Å; S66-F69 PolarHBondContact O-N 3.33Å; S66-N70 PolarHBondContact O-N 3.11Å
67F87.3Confident85.2Confident35 Ų3553.1 Ų53.115%0.15427%0.271CS..Hα-helixtrans-65.2-48.5174.1-59.9-41.7000111.5K63 F64 F69 N70 V71 L107 L110 N123 I124 A127K63-F67 HydrophobicContact CB-CE2 4.38Å; K63-F67 WeakPolarHBondContact O-CD2 3.14Å; K63-F67 PolarHBondContact O-N 3.08Å; K63-F67 VanDerWaalsContact O-N 3.09Å; F64-F67 PolarHBondContact O-N 3.22Å; F64-F67 VanDerWaalsContact O-N 3.1Å; F67-F69 VanDerWaalsContact C-N 3.26Å; F67-F69 PolarHBondContact O-N 3.17Å; F67-N70 PolarHBondContact O-N 2.95Å; F67-V71 WeakPolarHBondContact O-CG2 3.42Å; F67-V71 PolarHBondContact O-N 3.22Å; F67-L107 HydrophobicContact CB-CD1 3.9Å; F67-L110 HydrophobicContact CD1-CD2 3.45Å; F67-L110 VanDerWaalsContact CD1-CD2 3.45Å; F67-L110 HydrophobicContact CE1-CD1 4.02Å; F67-L110 HydrophobicContact CE1-CD2 3.65Å; F67-L110 HydrophobicContact CG-CD2 4.05Å; F67-L110 HydrophobicContact CZ-CD1 4.27Å; F67-L110 HydrophobicContact CZ-CD2 4.37Å; F67-N123 HydrophobicContact CZ-CB 4.36Å; F67-I124 HydrophobicContact CB-CD1 3.9Å; F67-I124 HydrophobicContact CD1-CD1 4.24Å; F67-I124 HydrophobicContact CD2-CD1 3.23Å; F67-I124 HydrophobicContact CE2-CD1 3.66Å; F67-I124 HydrophobicContact CG-CD1 3.55Å; F67-I124 HydrophobicContact CZ-CD1 4.33Å; F67-A127 HydrophobicContact CD2-CB 4.08Å; F67-A127 HydrophobicContact CE2-CB 3.7Å
68V86.2Confident85.8Confident1 Ų151.5 Ų51.51%0.00627%0.267CS..Hα-helixtrans-61.2-39.1176.3179.50000111F48 F64 N70 V71 F72 W103 L107F48-V68 HydrophobicContact CE1-CB 3.97Å; F48-V68 HydrophobicContact CE1-CG1 3.9Å; F48-V68 HydrophobicContact CZ-CB 4.26Å; F48-V68 HydrophobicContact CZ-CG1 3.66Å; F64-V68 HydrophobicContact CD1-CG2 3.98Å; F64-V68 HydrophobicContact CE1-CG2 3.54Å; F64-V68 HydrophobicContact CE2-CG2 4.39Å; F64-V68 HydrophobicContact CZ-CG2 3.77Å; F64-V68 WeakPolarHBondContact O-CG2 3.45Å; F64-V68 PolarHBondContact O-N 2.99Å; V68-N70 PolarHBondContact O-N 3.34Å; V68-V71 PolarHBondContact O-N 2.97Å; V68-F72 HydrophobicContact CG1-CD2 3.7Å; V68-F72 HydrophobicContact CG1-CE2 3.54Å; V68-F72 HydrophobicContact CG1-CZ 4.37Å; V68-F72 VanDerWaalsContact O-CD2 3.24Å; V68-F72 WeakPolarHBondContact O-CD2 3.42Å; V68-F72 PolarHBondContact O-N 2.87Å; V68-W103 HydrophobicContact CG1-CH2 4.47Å; V68-W103 HydrophobicContact CG1-CZ2 4.34Å; V68-L107 HydrophobicContact CB-CD1 4.48Å; V68-L107 HydrophobicContact CG2-CD1 3.87Å
69F88.6Confident86.5Confident7 Ų748 Ų483%0.03125%0.249CC..Hα-helixtrans-57.6-48.8175.5-177-86.2000111.7A45 F48 A65 S66 F67 V71 F72 D73 G78 I80A45-F69 VanDerWaalsContact CA-CE2 3.46Å; A45-F69 HydrophobicContact CB-CD1 4.1Å; A45-F69 HydrophobicContact CB-CD2 4.12Å; A45-F69 HydrophobicContact CB-CE1 4.03Å; A45-F69 HydrophobicContact CB-CE2 4.03Å; A45-F69 HydrophobicContact CB-CG 4.16Å; A45-F69 HydrophobicContact CB-CZ 3.99Å; A45-F69 VanDerWaalsContact N-CE2 3.28Å; F48-F69 HydrophobicContact CB-CD2 3.76Å; F48-F69 HydrophobicContact CB-CE2 4.39Å; F48-F69 HydrophobicContact CD1-CB 4.06Å; F48-F69 HydrophobicContact CD1-CD2 4.32Å; F48-F69 HydrophobicContact CD2-CD2 4.44Å; F48-F69 HydrophobicContact CE1-CB 4.42Å; F48-F69 AromaticContact CG-CD2 3.94Å; F48-F69 HydrophobicContact CG-CD2 3.94Å; A65-F69 WeakPolarHBondContact O-CB 3.23Å; A65-F69 PolarHBondContact O-N 3.49Å; S66-F69 WeakPolarHBondContact O-CB 3.41Å; S66-F69 PolarHBondContact O-N 3.33Å; F67-F69 VanDerWaalsContact C-N 3.26Å; F67-F69 PolarHBondContact O-N 3.17Å; F69-V71 PolarHBondContact O-N 3.3Å; F69-F72 PolarHBondContact O-N 2.8Å; F69-F72 VanDerWaalsContact O-N 3.09Å; F69-D73 HydrophobicContact CD1-CB 4.43Å; F69-D73 HydrophobicContact CE1-CB 4.08Å; F69-D73 WeakPolarHBondContact O-CB 3.26Å; F69-D73 PolarHBondContact O-N 3.1Å; F69-G78 WeakPolarHBondContact CZ-O 3.48Å; F69-I80 HydrophobicContact CD2-CD1 3.31Å; F69-I80 HydrophobicContact CD2-CG1 3.85Å; F69-I80 HydrophobicContact CE2-CB 4.45Å; F69-I80 HydrophobicContact CE2-CD1 3.52Å; F69-I80 HydrophobicContact CE2-CG1 3.55Å; F69-I80 HydrophobicContact CG-CD1 4.1Å; F69-I80 HydrophobicContact CZ-CD1 4.43Å; F69-I80 HydrophobicContact CZ-CG1 4.06Å
70N87.3Confident87.1Confident100 Ų10047.4 Ų47.454%0.53524%0.243SC..Hα-helixtrans-62.2-29.5179.1-72.2-7.3000113.2S66 F67 V68S66-N70 PolarHBondContact O-N 3.11Å; F67-N70 PolarHBondContact O-N 2.95Å; V68-N70 PolarHBondContact O-N 3.34Å
71V85.4Confident87.4Confident18 Ų1847.5 Ų47.511%0.10924%0.241CC..Hα-helixtrans-76.9-33.7175.6-179.20000111.7F67 V68 F69 W103 K106 L107F67-V71 WeakPolarHBondContact O-CG2 3.42Å; F67-V71 PolarHBondContact O-N 3.22Å; V68-V71 PolarHBondContact O-N 2.97Å; F69-V71 PolarHBondContact O-N 3.3Å; V71-W103 HydrophobicContact CB-CZ2 4.44Å; V71-W103 HydrophobicContact CG1-CZ2 3.98Å; V71-K106 HydrophobicContact CG1-CB 3.98Å; V71-K106 HydrophobicContact CG2-CB 4.49Å; V71-K106 WeakPolarHBondContact CG2-O 3.28Å; V71-L107 VanDerWaalsContact CG2-CA 3.49Å; V71-L107 HydrophobicContact CG2-CB 4.01Å; V71-L107 HydrophobicContact CG2-CD1 3.79Å
72F86.1Confident87.7Confident14 Ų1448 Ų486%0.06124%0.243CC..Hα-helixtrans-75.5-36177.7-87.2-126.7000111.9V68 F69 E74 I80 E84 F85 A88 W103V68-F72 HydrophobicContact CG1-CD2 3.7Å; V68-F72 HydrophobicContact CG1-CE2 3.54Å; V68-F72 HydrophobicContact CG1-CZ 4.37Å; V68-F72 VanDerWaalsContact O-CD2 3.24Å; V68-F72 WeakPolarHBondContact O-CD2 3.42Å; V68-F72 PolarHBondContact O-N 2.87Å; F69-F72 PolarHBondContact O-N 2.8Å; F69-F72 VanDerWaalsContact O-N 3.09Å; F72-E74 VanDerWaalsContact C-N 3.33Å; F72-E74 PolarHBondContact O-N 2.88Å; F72-I80 HydrophobicContact CB-CD1 3.5Å; F72-I80 HydrophobicContact CB-CG1 3.86Å; F72-I80 HydrophobicContact CB-CG2 4.48Å; F72-I80 HydrophobicContact CD1-CD1 4.22Å; F72-I80 HydrophobicContact CD1-CG2 4.41Å; F72-I80 HydrophobicContact CG-CD1 4.21Å; F72-E84 WeakPolarHBondContact O-CB 3.43Å; F72-F85 HydrophobicContact CE1-CD2 4.13Å; F72-A88 HydrophobicContact CD1-CB 3.6Å; F72-A88 HydrophobicContact CD2-CB 3.89Å; F72-A88 HydrophobicContact CE1-CB 3.4Å; F72-A88 VanDerWaalsContact CE1-CB 3.4Å; F72-A88 HydrophobicContact CE2-CB 3.7Å; F72-A88 HydrophobicContact CG-CB 3.85Å; F72-A88 HydrophobicContact CZ-CB 3.46Å; F72-A88 VanDerWaalsContact CZ-CB 3.46Å; F72-W103 HydrophobicContact CD2-CZ2 4.07Å; F72-W103 AromaticContact CE2-CZ2 3.58Å; F72-W103 HydrophobicContact CE2-CZ2 3.58Å
73D88.4Confident87.9Confident8 Ų847 Ų474%0.04324%0.238CC..  trans-75.478.7176.6-1785000110.6F69 N75 K76 D77 G78F69-D73 HydrophobicContact CD1-CB 4.43Å; F69-D73 HydrophobicContact CE1-CB 4.08Å; F69-D73 WeakPolarHBondContact O-CB 3.26Å; F69-D73 PolarHBondContact O-N 3.1Å; D73-N75 VanDerWaalsContact C-N 3.3Å; D73-N75 PolarHBondContact O-N 3.3Å; D73-N75 PolarHBondContact OD1-OD1 2.98Å; D73-K76 PolarHBondContact O-N 3Å; D73-K76 WeakPolarHBondContact OD1-CA 3.21Å; D73-K76 PolarHBondContact OD1-N 2.62Å; D73-K76 WeakPolarHBondContact OD2-CA 3.34Å; D73-D77 PolarHBondContact OD1-N 3.09Å; D73-D77 PolarHBondContact OD2-N 3.21Å; D73-G78 VanDerWaalsContact OD2-CA 3.23Å; D73-G78 WeakPolarHBondContact OD2-CA 3.44Å; D73-G78 PolarHBondContact OD2-N 2.81Å
74E83.9Confident88Confident120 Ų12043.6 Ų43.656%0.56122%0.224SC*.THydrogen-bonded Turntrans-67.2-33.5-176.3-69.1-161.9146.200112F72 E84 K106F72-E74 VanDerWaalsContact C-N 3.33Å; F72-E74 PolarHBondContact O-N 2.88Å; E74-E84 PolarHBondContact N-OE1 3.34Å; E74-K106 IonicContact OE1-NZ 4Å
75N87.8Confident88.1Confident83 Ų8345 Ų4544%0.44423%0.23SC..THydrogen-bonded Turntrans-85.7-8.3-179.276.39.1000113.3D73 D77 E84D73-N75 VanDerWaalsContact C-N 3.3Å; D73-N75 PolarHBondContact O-N 3.3Å; D73-N75 PolarHBondContact OD1-OD1 2.98Å; N75-D77 VanDerWaalsContact C-N 3.26Å; N75-D77 PolarHBondContact ND2-OD2 3.14Å; N75-D77 PolarHBondContact O-N 2.94Å; N75-D77 WeakPolarHBondContact OD1-CB 3.47Å; N75-D77 PolarHBondContact OD1-N 2.91Å; N75-D77 PolarHBondContact OD1-OD1 2.69Å; N75-D77 PolarHBondContact OD1-OD2 3.48Å; N75-E84 PolarHBondContact N-OE1 3.35Å
76K86.6Confident88.2Confident138 Ų13845 Ų4560%0.623%0.23SC*.  trans57.734-178.9-57.1-169175-169.40113.1D73 G78 N112D73-K76 PolarHBondContact O-N 3Å; D73-K76 WeakPolarHBondContact OD1-CA 3.21Å; D73-K76 PolarHBondContact OD1-N 2.62Å; D73-K76 WeakPolarHBondContact OD2-CA 3.34Å; K76-G78 VanDerWaalsContact C-N 3.31Å; K76-N112 PolarHBondContact NZ-ND2 3.09Å; K76-N112 VanDerWaalsContact NZ-ND2 3.15Å
77D89.9Confident88.2Confident73 Ų7345.5 Ų45.539%0.3923%0.229SC..SBendtrans-87-2.2179.480.615.5000113.5D73 N75 R79D73-D77 PolarHBondContact OD1-N 3.09Å; D73-D77 PolarHBondContact OD2-N 3.21Å; N75-D77 VanDerWaalsContact C-N 3.26Å; N75-D77 PolarHBondContact ND2-OD2 3.14Å; N75-D77 PolarHBondContact O-N 2.94Å; N75-D77 WeakPolarHBondContact OD1-CB 3.47Å; N75-D77 PolarHBondContact OD1-N 2.91Å; N75-D77 PolarHBondContact OD1-OD1 2.69Å; N75-D77 PolarHBondContact OD1-OD2 3.48Å; D77-R79 WeakPolarHBondContact OD1-CA 3.44Å; D77-R79 WeakPolarHBondContact OD1-CB 3.31Å; D77-R79 PolarHBondContact OD1-N 2.98Å; D77-R79 VanDerWaalsContact OD1-O 3.05Å
78G89.1Confident88Confident39 Ų3944.4 Ų44.440%0.40223%0.226SC..SBendtrans81.615.5-179.200000113.4F69 D73 K76F69-G78 WeakPolarHBondContact CZ-O 3.48Å; D73-G78 VanDerWaalsContact OD2-CA 3.23Å; D73-G78 WeakPolarHBondContact OD2-CA 3.44Å; D73-G78 PolarHBondContact OD2-N 2.81Å; K76-G78 VanDerWaalsContact C-N 3.31Å
79R90.4Very high87.9Confident109 Ų10945.7 Ų45.741%0.41123%0.232SC..EExtended strand (participates in β ladder)trans-142.6141.7179.6-50.4-179.4174.9-91.4-10.7109.6Q42 D77Q42-R79 HydrophobicContact CB-CB 4.42Å; D77-R79 WeakPolarHBondContact OD1-CA 3.44Å; D77-R79 WeakPolarHBondContact OD1-CB 3.31Å; D77-R79 PolarHBondContact OD1-N 2.98Å; D77-R79 VanDerWaalsContact OD1-O 3.05Å
80I89.8Confident87.8Confident0 Ų045.4 Ų45.40%023%0.231CC..EExtended strand (participates in β ladder)trans-94.7117.1171.3-63.1166.8000108.2L43 F48 F69 F72 E84 F85L43-I80 HydrophobicContact CB-CB 4.35Å; L43-I80 PolarHBondContact N-O 2.78Å; L43-I80 PolarHBondContact O-N 3.2Å; F48-I80 HydrophobicContact CD2-CD1 3.74Å; F48-I80 HydrophobicContact CE2-CD1 3.94Å; F48-I80 HydrophobicContact CG-CD1 4.36Å; F69-I80 HydrophobicContact CD2-CD1 3.31Å; F69-I80 HydrophobicContact CD2-CG1 3.85Å; F69-I80 HydrophobicContact CE2-CB 4.45Å; F69-I80 HydrophobicContact CE2-CD1 3.52Å; F69-I80 HydrophobicContact CE2-CG1 3.55Å; F69-I80 HydrophobicContact CG-CD1 4.1Å; F69-I80 HydrophobicContact CZ-CD1 4.43Å; F69-I80 HydrophobicContact CZ-CG1 4.06Å; F72-I80 HydrophobicContact CB-CD1 3.5Å; F72-I80 HydrophobicContact CB-CG1 3.86Å; F72-I80 HydrophobicContact CB-CG2 4.48Å; F72-I80 HydrophobicContact CD1-CD1 4.22Å; F72-I80 HydrophobicContact CD1-CG2 4.41Å; F72-I80 HydrophobicContact CG-CD1 4.21Å; I80-E84 WeakPolarHBondContact CA-OE2 3.36Å; I80-E84 HydrophobicContact CG2-CB 4.13Å; I80-F85 HydrophobicContact CG2-CB 3.85Å
81E90.9Very high87.6Confident71 Ų7142.2 Ų42.233%0.33222%0.216SC..EExtended strand (participates in β ladder)trans-80162.1170.3-59.7-161150.800111.5Q42 S83 E84 F85Q42-E81 HydrophobicContact CG-CG 4.45Å; Q42-E81 PolarHBondContact NE2-OE1 3.32Å; E81-S83 PolarHBondContact O-N 3.27Å; E81-E84 PolarHBondContact N-OE2 3.25Å; E81-E84 PolarHBondContact O-N 3.17Å; E81-F85 PolarHBondContact O-N 2.93Å
82F89.4Confident87.3Confident12 Ų1242.5 Ų42.55%0.05322%0.217CC..Hα-helixtrans-59.2-36.9179.3176.5-106000113L8 L16 V27 W30 Y31 F34 F85 I86L8-F82 HydrophobicContact CD1-CD1 3.92Å; L8-F82 HydrophobicContact CD1-CE1 3.51Å; L8-F82 HydrophobicContact CD1-CZ 4.41Å; L8-F82 HydrophobicContact CD2-CD1 4.26Å; L16-F82 HydrophobicContact CD1-CD1 3.99Å; L16-F82 HydrophobicContact CD1-CE1 3.78Å; V27-F82 HydrophobicContact CG1-CE1 4Å; V27-F82 HydrophobicContact CG1-CZ 4.27Å; V27-F82 WeakPolarHBondContact O-CZ 3.4Å; W30-F82 HydrophobicContact CB-CE2 4.03Å; W30-F82 HydrophobicContact CB-CZ 4.12Å; Y31-F82 HydrophobicContact CD2-CB 4.12Å; Y31-F82 AromaticContact CD2-CD1 3.55Å; Y31-F82 HydrophobicContact CD2-CD1 3.55Å; Y31-F82 AromaticContact CD2-CD2 3.9Å; Y31-F82 HydrophobicContact CD2-CD2 3.9Å; Y31-F82 AromaticContact CD2-CE1 3.91Å; Y31-F82 HydrophobicContact CD2-CE1 3.91Å; Y31-F82 HydrophobicContact CD2-CE2 4.23Å; Y31-F82 AromaticContact CD2-CG 3.54Å; Y31-F82 HydrophobicContact CD2-CG 3.54Å; Y31-F82 HydrophobicContact CD2-CZ 4.23Å; Y31-F82 HydrophobicContact CE2-CB 4.31Å; Y31-F82 HydrophobicContact CE2-CD1 4.28Å; Y31-F82 HydrophobicContact CE2-CG 4.2Å; Y31-F82 HydrophobicContact CG-CD1 4.41Å; Y31-F82 HydrophobicContact CG-CE1 4.34Å; Y31-F82 HydrophobicContact CG-CZ 4.43Å; Y31-F82 VanDerWaalsContact N-CE2 3.34Å; F34-F82 HydrophobicContact CB-CD2 3.77Å; F34-F82 HydrophobicContact CB-CE2 4.16Å; F34-F82 HydrophobicContact CD1-CB 4.06Å; F34-F82 HydrophobicContact CD1-CD2 4.04Å; F34-F82 HydrophobicContact CD2-CD2 4.29Å; F34-F82 HydrophobicContact CE1-CB 4.13Å; F34-F82 AromaticContact CG-CD2 3.78Å; F34-F82 HydrophobicContact CG-CD2 3.78Å; F82-F85 HydrophobicContact CD2-CD1 4.41Å; F82-F85 HydrophobicContact CE2-CD1 4.43Å; F82-F85 PolarHBondContact O-N 3.29Å; F82-I86 HydrophobicContact CE1-CB 4.31Å; F82-I86 HydrophobicContact CE1-CG2 4.16Å; F82-I86 HydrophobicContact CE2-CB 4.26Å; F82-I86 HydrophobicContact CZ-CB 4Å; F82-I86 HydrophobicContact CZ-CD1 4.4Å; F82-I86 HydrophobicContact CZ-CG1 4.15Å; F82-I86 HydrophobicContact CZ-CG2 4.35Å; F82-I86 WeakPolarHBondContact O-CB 3.32Å; F82-I86 VanDerWaalsContact O-CG2 3.3Å; F82-I86 WeakPolarHBondContact O-CG2 3.43Å; F82-I86 PolarHBondContact O-N 2.93Å
83S89.7Confident86.9Confident35 Ų3544.3 Ų44.325%0.24523%0.232CC..Hα-helixtrans-60-44.6176.340.90000111.8E81 I86 Q87E81-S83 PolarHBondContact O-N 3.27Å; S83-I86 WeakPolarHBondContact O-CG2 3.47Å; S83-Q87 VanDerWaalsContact O-CB 3.3Å; S83-Q87 WeakPolarHBondContact O-CB 3.39Å; S83-Q87 WeakPolarHBondContact O-CG 3.44Å; S83-Q87 PolarHBondContact O-N 3.09Å; S83-Q87 VanDerWaalsContact O-N 3.15Å; S83-Q87 PolarHBondContact O-NE2 3.48Å
84E90.1Very high86.6Confident13 Ų1349.2 Ų49.26%0.06125%0.25CC..Hα-helixtrans-67.3-46.6177.7-69.9171.6143.300110.8F72 E74 N75 I80 E81 I86 Q87 A88F72-E84 WeakPolarHBondContact O-CB 3.43Å; E74-E84 PolarHBondContact N-OE1 3.34Å; N75-E84 PolarHBondContact N-OE1 3.35Å; I80-E84 WeakPolarHBondContact CA-OE2 3.36Å; I80-E84 HydrophobicContact CG2-CB 4.13Å; E81-E84 PolarHBondContact N-OE2 3.25Å; E81-E84 PolarHBondContact O-N 3.17Å; E84-I86 PolarHBondContact O-N 3.16Å; E84-Q87 PolarHBondContact O-N 3.21Å; E84-A88 WeakPolarHBondContact O-CB 3.4Å; E84-A88 PolarHBondContact O-N 3.19Å
85F88.2Confident86.4Confident36 Ų3644 Ų4416%0.15823%0.228CC..Hα-helixtrans-56.2-51.1177.1175.1-100.7000112.6W30 F34 F72 I80 E81 F82 L89W30-F85 HydrophobicContact CE3-CE1 4.02Å; W30-F85 HydrophobicContact CE3-CZ 4.42Å; W30-F85 HydrophobicContact CZ3-CE1 4.41Å; W30-F85 HydrophobicContact CZ3-CZ 4.36Å; F34-F85 HydrophobicContact CD2-CB 4.45Å; F34-F85 AromaticContact CD2-CD1 3.92Å; F34-F85 HydrophobicContact CD2-CD1 3.92Å; F34-F85 HydrophobicContact CD2-CE1 4.34Å; F34-F85 HydrophobicContact CD2-CG 4.05Å; F34-F85 HydrophobicContact CE2-CB 4.04Å; F34-F85 HydrophobicContact CE2-CD1 4.33Å; F34-F85 HydrophobicContact CE2-CD2 4.4Å; F34-F85 AromaticContact CE2-CG 3.99Å; F34-F85 HydrophobicContact CE2-CG 3.99Å; F72-F85 HydrophobicContact CE1-CD2 4.13Å; I80-F85 HydrophobicContact CG2-CB 3.85Å; E81-F85 PolarHBondContact O-N 2.93Å; F82-F85 HydrophobicContact CD2-CD1 4.41Å; F82-F85 HydrophobicContact CE2-CD1 4.43Å; F82-F85 PolarHBondContact O-N 3.29Å; F85-L89 HydrophobicContact CE1-CD2 4.08Å; F85-L89 HydrophobicContact CZ-CD2 4.15Å; F85-L89 VanDerWaalsContact O-CB 3.26Å; F85-L89 WeakPolarHBondContact O-CB 3.38Å; F85-L89 PolarHBondContact O-N 3.2Å
86I88.2Confident86.3Confident0 Ų043.4 Ų43.40%023%0.228CC..Hα-helixtrans-72.4-31.7-175.3-163.261.8000112.2L16 T20 F22 W30 F82 S83 E84 L89 S90L16-I86 HydrophobicContact CD1-CG2 4.13Å; L16-I86 HydrophobicContact CD2-CG2 3.81Å; L16-I86 HydrophobicContact CG-CG2 4.4Å; T20-I86 HydrophobicContact CG2-CG2 4.37Å; F22-I86 HydrophobicContact CD2-CD1 3.62Å; F22-I86 HydrophobicContact CD2-CG1 3.88Å; F22-I86 HydrophobicContact CE2-CD1 3.66Å; F22-I86 HydrophobicContact CE2-CG1 4.25Å; F22-I86 HydrophobicContact CG-CD1 4.47Å; W30-I86 HydrophobicContact CB-CD1 3.75Å; W30-I86 HydrophobicContact CG-CD1 3.71Å; F82-I86 HydrophobicContact CE1-CB 4.31Å; F82-I86 HydrophobicContact CE1-CG2 4.16Å; F82-I86 HydrophobicContact CE2-CB 4.26Å; F82-I86 HydrophobicContact CZ-CB 4Å; F82-I86 HydrophobicContact CZ-CD1 4.4Å; F82-I86 HydrophobicContact CZ-CG1 4.15Å; F82-I86 HydrophobicContact CZ-CG2 4.35Å; F82-I86 WeakPolarHBondContact O-CB 3.32Å; F82-I86 VanDerWaalsContact O-CG2 3.3Å; F82-I86 WeakPolarHBondContact O-CG2 3.43Å; F82-I86 PolarHBondContact O-N 2.93Å; S83-I86 WeakPolarHBondContact O-CG2 3.47Å; E84-I86 PolarHBondContact O-N 3.16Å; I86-L89 HydrophobicContact CD1-CD2 4.4Å; I86-S90 WeakPolarHBondContact O-CB 3.26Å; I86-S90 PolarHBondContact O-N 3.01Å
87Q88.1Confident86.1Confident44 Ų4441.5 Ų41.521%0.20622%0.223CC..Hα-helixtrans-67.9-48.1174.9-76.5176.2100.200111.1L16 T20 S83 E84 L89 S90 V91L16-Q87 HydrophobicContact CD2-CG 4.48Å; T20-Q87 HydrophobicContact CG2-CG 3.98Å; S83-Q87 VanDerWaalsContact O-CB 3.3Å; S83-Q87 WeakPolarHBondContact O-CB 3.39Å; S83-Q87 WeakPolarHBondContact O-CG 3.44Å; S83-Q87 PolarHBondContact O-N 3.09Å; S83-Q87 VanDerWaalsContact O-N 3.15Å; S83-Q87 PolarHBondContact O-NE2 3.48Å; E84-Q87 PolarHBondContact O-N 3.21Å; Q87-L89 PolarHBondContact O-N 3.18Å; Q87-S90 WeakPolarHBondContact O-CB 3.48Å; Q87-S90 PolarHBondContact O-N 3.26Å; Q87-V91 PolarHBondContact O-N 3.04Å; Q87-V91 VanDerWaalsContact O-N 3.09Å
88A84.8Confident85.8Confident12 Ų1240.9 Ų40.910%0.09922%0.22CC..Hα-helixtrans-61-46.317600000111.3F72 E84 S90 V91 T92F72-A88 HydrophobicContact CD1-CB 3.6Å; F72-A88 HydrophobicContact CD2-CB 3.89Å; F72-A88 HydrophobicContact CE1-CB 3.4Å; F72-A88 VanDerWaalsContact CE1-CB 3.4Å; F72-A88 HydrophobicContact CE2-CB 3.7Å; F72-A88 HydrophobicContact CG-CB 3.85Å; F72-A88 HydrophobicContact CZ-CB 3.46Å; F72-A88 VanDerWaalsContact CZ-CB 3.46Å; E84-A88 WeakPolarHBondContact O-CB 3.4Å; E84-A88 PolarHBondContact O-N 3.19Å; A88-S90 VanDerWaalsContact C-N 3.28Å; A88-S90 PolarHBondContact O-N 3.35Å; A88-V91 PolarHBondContact O-N 2.97Å; A88-T92 WeakPolarHBondContact O-CG2 3.44Å; A88-T92 PolarHBondContact O-N 3.38Å; A88-T92 PolarHBondContact O-OG1 3.07Å
89L84.3Confident85.6Confident27 Ų2741.4 Ų41.414%0.14121%0.212CC..Hα-helixtrans-61-37.2176.6-175.163000112.4F22 W30 F85 I86 Q87 T92 S93F22-L89 HydrophobicContact CE2-CB 4.46Å; F22-L89 HydrophobicContact CE2-CD2 4.46Å; F22-L89 HydrophobicContact CE2-CG 4.27Å; F22-L89 HydrophobicContact CZ-CD2 4.31Å; F22-L89 HydrophobicContact CZ-CG 4.13Å; W30-L89 HydrophobicContact CD2-CD2 3.94Å; W30-L89 HydrophobicContact CE3-CD2 4.13Å; W30-L89 HydrophobicContact CH2-CD2 3.83Å; W30-L89 HydrophobicContact CZ2-CD2 3.62Å; W30-L89 HydrophobicContact CZ3-CD2 4.08Å; F85-L89 HydrophobicContact CE1-CD2 4.08Å; F85-L89 HydrophobicContact CZ-CD2 4.15Å; F85-L89 VanDerWaalsContact O-CB 3.26Å; F85-L89 WeakPolarHBondContact O-CB 3.38Å; F85-L89 PolarHBondContact O-N 3.2Å; I86-L89 HydrophobicContact CD1-CD2 4.4Å; Q87-L89 PolarHBondContact O-N 3.18Å; L89-T92 WeakPolarHBondContact CA-OG1 3.46Å; L89-T92 PolarHBondContact O-OG1 3.04Å; L89-S93 VanDerWaalsContact O-CB 3.23Å; L89-S93 WeakPolarHBondContact O-CB 3.37Å; L89-S93 PolarHBondContact O-N 3.08Å; L89-S93 PolarHBondContact O-OG 2.74Å
90S85.9Confident85.3Confident1 Ų139.6 Ų39.61%0.00721%0.207CC..Hα-helixtrans-62.6-44.9176.91740000111.7T20 Y21 F22 I86 Q87 A88 R94 G95T20-S90 VanDerWaalsContact CA-OG 3.27Å; T20-S90 WeakPolarHBondContact CA-OG 3.42Å; T20-S90 WeakPolarHBondContact CB-OG 3.24Å; Y21-S90 WeakPolarHBondContact CD2-OG 3.31Å; Y21-S90 PolarHBondContact N-OG 2.87Å; F22-S90 VanDerWaalsContact CE2-CA 3.47Å; I86-S90 WeakPolarHBondContact O-CB 3.26Å; I86-S90 PolarHBondContact O-N 3.01Å; Q87-S90 WeakPolarHBondContact O-CB 3.48Å; Q87-S90 PolarHBondContact O-N 3.26Å; A88-S90 VanDerWaalsContact C-N 3.28Å; A88-S90 PolarHBondContact O-N 3.35Å; S90-R94 CarbonylContact O-C 3.53Å; S90-R94 PolarHBondContact O-N 3.42Å; S90-G95 PolarHBondContact O-N 2.84Å; S90-G95 VanDerWaalsContact O-N 3.1Å
91V83.6Confident85Confident34 Ų3440 Ų4021%0.20621%0.209CC..Hα-helixtrans-66.9-47.3178.9171.20000111Q87 A88 S93 G95 E99 W103Q87-V91 PolarHBondContact O-N 3.04Å; Q87-V91 VanDerWaalsContact O-N 3.09Å; A88-V91 PolarHBondContact O-N 2.97Å; V91-S93 PolarHBondContact O-N 2.92Å; V91-G95 WeakPolarHBondContact O-CA 3.17Å; V91-G95 PolarHBondContact O-N 3Å; V91-E99 HydrophobicContact CG1-CB 3.87Å; V91-W103 HydrophobicContact CG1-CB 4.07Å; V91-W103 HydrophobicContact CG1-CG 4.48Å
92T77.8Confident84.9Confident24 Ų2441.8 Ų41.815%0.14721%0.213CC..Hα-helixtrans-68-37.5-177.556.70000112.4A88 L89 K100 W103A88-T92 WeakPolarHBondContact O-CG2 3.44Å; A88-T92 PolarHBondContact O-N 3.38Å; A88-T92 PolarHBondContact O-OG1 3.07Å; L89-T92 WeakPolarHBondContact CA-OG1 3.46Å; L89-T92 PolarHBondContact O-OG1 3.04Å; T92-K100 WeakPolarHBondContact O-CE 3.23Å; T92-K100 PolarHBondContact O-NZ 2.92Å; T92-K100 VanDerWaalsContact O-NZ 3.09Å; T92-W103 HydrophobicContact CG2-CD2 3.84Å; T92-W103 HydrophobicContact CG2-CE3 3.96Å; T92-W103 HydrophobicContact CG2-CG 4.4Å; T92-W103 HydrophobicContact CG2-CH2 4.41Å; T92-W103 HydrophobicContact CG2-CZ2 4.33Å; T92-W103 HydrophobicContact CG2-CZ3 4.22Å
93S77.3Confident84.6Confident51 Ų5143 Ų4336%0.35722%0.217SC..Hα-helixtrans-83.5-47-178.664.40000114.2L89 V91L89-S93 VanDerWaalsContact O-CB 3.23Å; L89-S93 WeakPolarHBondContact O-CB 3.37Å; L89-S93 PolarHBondContact O-N 3.08Å; L89-S93 PolarHBondContact O-OG 2.74Å; V91-S93 PolarHBondContact O-N 2.92Å
94R82.7Confident84.4Confident112 Ų11242.2 Ų42.242%0.42321%0.213SC..Hα-helixtrans-124.7-2.3-168.4-66.6179.1-175.8-178.53.6114Y21 E26 S90Y21-R94 HydrophobicContact CD2-CB 4.13Å; Y21-R94 HydrophobicContact CG-CB 4.02Å; Y21-R94 WeakPolarHBondContact O-CD 3.48Å; Y21-R94 PolarHBondContact O-NH1 3.46Å; E26-R94 IonicContact OE1-CZ 2.67Å; E26-R94 IonicContact OE1-NH1 2.69Å; E26-R94 PolarHBondContact OE1-NH1 3.19Å; E26-R94 IonicContact OE1-NH2 3.4Å; E26-R94 PolarHBondContact OE1-NH2 3.21Å; E26-R94 IonicContact OE2-CZ 3.91Å; E26-R94 IonicContact OE2-NH1 3.9Å; E26-R94 PolarHBondContact OE2-NH1 3.41Å; E26-R94 IonicContact OE2-NH2 3.88Å; S90-R94 CarbonylContact O-C 3.53Å; S90-R94 PolarHBondContact O-N 3.42Å
95G80.4Confident84.3Confident11 Ų1142.2 Ų42.211%0.11321%0.213CC..  trans-64.3158.3177.600000112.9S90 V91 E99 K100S90-G95 PolarHBondContact O-N 2.84Å; S90-G95 VanDerWaalsContact O-N 3.1Å; V91-G95 WeakPolarHBondContact O-CA 3.17Å; V91-G95 PolarHBondContact O-N 3Å; G95-E99 WeakPolarHBondContact CA-OE2 3.36Å; G95-K100 VanDerWaalsContact O-CE 3.28Å; G95-K100 WeakPolarHBondContact O-CE 3.35Å
96T85.6Confident84.3Confident70 Ų7045 Ų4543%0.42923%0.225SC..  trans-64.2159.2170.6610000110.9D98 E99 K100T96-D98 PolarHBondContact O-N 3.33Å; T96-E99 PolarHBondContact N-OE2 3.25Å; T96-E99 PolarHBondContact O-N 3.36Å; T96-E99 VanDerWaalsContact O-N 3.11Å; T96-E99 VanDerWaalsContact OG1-CG 3.26Å; T96-E99 WeakPolarHBondContact OG1-CG 3.41Å; T96-E99 PolarHBondContact OG1-N 2.81Å; T96-E99 PolarHBondContact OG1-OE2 2.91Å; T96-K100 WeakPolarHBondContact O-CG 3.35Å; T96-K100 PolarHBondContact O-N 3.47Å
97L81Confident84.2Confident98 Ų9845.6 Ų45.651%0.51323%0.228SC..Hα-helixtrans-53.6-40.5175.4-179.962.3000111.7E99 K100 L101L97-E99 PolarHBondContact O-N 2.91Å; L97-K100 PolarHBondContact O-N 2.89Å; L97-L101 HydrophobicContact CD1-CD1 4.31Å; L97-L101 HydrophobicContact CD1-CG 4.2Å; L97-L101 HydrophobicContact CG-CD1 4Å; L97-L101 HydrophobicContact CG-CG 4.33Å; L97-L101 WeakPolarHBondContact O-CB 3.39Å; L97-L101 VanDerWaalsContact O-CG 3.27Å; L97-L101 WeakPolarHBondContact O-CG 3.38Å; L97-L101 PolarHBondContact O-N 3.19Å
98D84.8Confident84.2Confident60 Ų6043.8 Ų43.832%0.32122%0.219SC..Hα-helixtrans-66.9-37.1179.7-72.9-22.3000113.2T96 R102 K174T96-D98 PolarHBondContact O-N 3.33Å; D98-R102 WeakPolarHBondContact O-CB 3.45Å; D98-R102 WeakPolarHBondContact O-CG 3.26Å; D98-R102 PolarHBondContact O-N 2.71Å; D98-K174 WeakPolarHBondContact OD1-CE 3.36Å; D98-K174 IonicContact OD1-NZ 3.76Å; D98-K174 PolarHBondContact OD1-NZ 2.83Å; D98-K174 IonicContact OD2-NZ 3.15Å
99E85.1Confident84.5Confident50 Ų5043.6 Ų43.623%0.23422%0.216CC..Hα-helixtrans-68-41.2174-68.9166.4135.100111.2Y21 V91 G95 T96 L97 R102 W103Y21-E99 VanDerWaalsContact OH-CD 3.3Å; Y21-E99 PolarHBondContact OH-OE1 3.43Å; Y21-E99 VanDerWaalsContact OH-OE1 3.07Å; Y21-E99 PolarHBondContact OH-OE2 3.32Å; V91-E99 HydrophobicContact CG1-CB 3.87Å; G95-E99 WeakPolarHBondContact CA-OE2 3.36Å; T96-E99 PolarHBondContact N-OE2 3.25Å; T96-E99 PolarHBondContact O-N 3.36Å; T96-E99 VanDerWaalsContact O-N 3.11Å; T96-E99 VanDerWaalsContact OG1-CG 3.26Å; T96-E99 WeakPolarHBondContact OG1-CG 3.41Å; T96-E99 PolarHBondContact OG1-N 2.81Å; T96-E99 PolarHBondContact OG1-OE2 2.91Å; L97-E99 PolarHBondContact O-N 2.91Å; E99-R102 PolarHBondContact O-N 2.96Å; E99-W103 WeakPolarHBondContact O-CB 3.42Å; E99-W103 PolarHBondContact O-N 2.88Å
100K83.2Confident84.6Confident70 Ų7044.9 Ų44.930%0.30422%0.223SC..Hα-helixtrans-62.4-43174.8-68.9-178.1179.5-156.70111.9T92 G95 T96 L97 W103 A104T92-K100 WeakPolarHBondContact O-CE 3.23Å; T92-K100 PolarHBondContact O-NZ 2.92Å; T92-K100 VanDerWaalsContact O-NZ 3.09Å; G95-K100 VanDerWaalsContact O-CE 3.28Å; G95-K100 WeakPolarHBondContact O-CE 3.35Å; T96-K100 WeakPolarHBondContact O-CG 3.35Å; T96-K100 PolarHBondContact O-N 3.47Å; L97-K100 PolarHBondContact O-N 2.89Å; K100-W103 PolarHBondContact O-N 3.46Å; K100-A104 WeakPolarHBondContact O-CB 3.15Å; K100-A104 PolarHBondContact O-N 3.44Å
101L84.2Confident84.7Confident9 Ų949.5 Ų49.55%0.04725%0.248CC..Hα-helixtrans-65.9-39.5176.4-71.3173.3000112L97 A104 F105 F169 Q170 K174L97-L101 HydrophobicContact CD1-CD1 4.31Å; L97-L101 HydrophobicContact CD1-CG 4.2Å; L97-L101 HydrophobicContact CG-CD1 4Å; L97-L101 HydrophobicContact CG-CG 4.33Å; L97-L101 WeakPolarHBondContact O-CB 3.39Å; L97-L101 VanDerWaalsContact O-CG 3.27Å; L97-L101 WeakPolarHBondContact O-CG 3.38Å; L97-L101 PolarHBondContact O-N 3.19Å; L101-A104 PolarHBondContact O-N 2.82Å; L101-F105 WeakPolarHBondContact O-CB 3.45Å; L101-F105 PolarHBondContact O-N 3.09Å; L101-F169 HydrophobicContact CD2-CE1 4.21Å; L101-F169 WeakPolarHBondContact O-CE1 3.41Å; L101-Q170 HydrophobicContact CB-CG 4.15Å; L101-Q170 HydrophobicContact CD1-CG 4.27Å; L101-K174 HydrophobicContact CD1-CG 4.29Å
102R87.6Confident84.9Confident108 Ų10851.9 Ų51.941%0.40826%0.259SS..Hα-helixtrans-63.8-41.4172.9-80.7-173.9-71.8-89.1-1.5112.1D98 E99 F105 K106 L166D98-R102 WeakPolarHBondContact O-CB 3.45Å; D98-R102 WeakPolarHBondContact O-CG 3.26Å; D98-R102 PolarHBondContact O-N 2.71Å; E99-R102 PolarHBondContact O-N 2.96Å; R102-F105 WeakPolarHBondContact O-CB 3.15Å; R102-F105 PolarHBondContact O-N 2.84Å; R102-K106 PolarHBondContact O-N 2.83Å; R102-K106 VanDerWaalsContact O-N 3.14Å; R102-L166 HydrophobicContact CG-CD1 4.07Å; R102-L166 HydrophobicContact CG-CD2 4.08Å
103W84.8Confident85.5Confident38 Ų3854 Ų5414%0.14427%0.27CS..Hα-helixtrans-65.2-43.9176.7-174.986.7000111.2V68 V71 F72 V91 T92 E99 K100 F105 K106 L107V68-W103 HydrophobicContact CG1-CH2 4.47Å; V68-W103 HydrophobicContact CG1-CZ2 4.34Å; V71-W103 HydrophobicContact CB-CZ2 4.44Å; V71-W103 HydrophobicContact CG1-CZ2 3.98Å; F72-W103 HydrophobicContact CD2-CZ2 4.07Å; F72-W103 AromaticContact CE2-CZ2 3.58Å; F72-W103 HydrophobicContact CE2-CZ2 3.58Å; V91-W103 HydrophobicContact CG1-CB 4.07Å; V91-W103 HydrophobicContact CG1-CG 4.48Å; T92-W103 HydrophobicContact CG2-CD2 3.84Å; T92-W103 HydrophobicContact CG2-CE3 3.96Å; T92-W103 HydrophobicContact CG2-CG 4.4Å; T92-W103 HydrophobicContact CG2-CH2 4.41Å; T92-W103 HydrophobicContact CG2-CZ2 4.33Å; T92-W103 HydrophobicContact CG2-CZ3 4.22Å; E99-W103 WeakPolarHBondContact O-CB 3.42Å; E99-W103 PolarHBondContact O-N 2.88Å; K100-W103 PolarHBondContact O-N 3.46Å; W103-F105 VanDerWaalsContact C-N 3.33Å; W103-F105 PolarHBondContact O-N 2.97Å; W103-K106 PolarHBondContact O-N 2.73Å; W103-L107 HydrophobicContact CH2-CD2 4.11Å; W103-L107 HydrophobicContact CZ3-CD2 4.09Å; W103-L107 PolarHBondContact O-N 2.84Å
104A84.4Confident86.2Confident18 Ų1853.2 Ų53.215%0.14927%0.27CS..Hα-helixtrans-59.8-43.9172.900000111.1K100 L101 K106 L107 Y108 F169K100-A104 WeakPolarHBondContact O-CB 3.15Å; K100-A104 PolarHBondContact O-N 3.44Å; L101-A104 PolarHBondContact O-N 2.82Å; A104-K106 VanDerWaalsContact C-N 3.31Å; A104-K106 PolarHBondContact O-N 2.8Å; A104-L107 WeakPolarHBondContact O-CA 3.49Å; A104-L107 VanDerWaalsContact O-CB 3.27Å; A104-L107 WeakPolarHBondContact O-CB 3.27Å; A104-L107 PolarHBondContact O-N 3.32Å; A104-Y108 VanDerWaalsContact O-CD2 3.26Å; A104-Y108 WeakPolarHBondContact O-CD2 3.49Å; A104-Y108 PolarHBondContact O-N 3.31Å; A104-F169 HydrophobicContact CB-CE1 4.12Å; A104-F169 HydrophobicContact CB-CZ 4.13Å
105F88.1Confident86.8Confident13 Ų1352.5 Ų52.56%0.05727%0.268CS..Hα-helixtrans-54.8-47.2176.5-173.6-86.3000111.9L101 R102 W103 L107 Y108 D109 G114 I116 L166 F169L101-F105 WeakPolarHBondContact O-CB 3.45Å; L101-F105 PolarHBondContact O-N 3.09Å; R102-F105 WeakPolarHBondContact O-CB 3.15Å; R102-F105 PolarHBondContact O-N 2.84Å; W103-F105 VanDerWaalsContact C-N 3.33Å; W103-F105 PolarHBondContact O-N 2.97Å; F105-L107 PolarHBondContact O-N 2.88Å; F105-Y108 PolarHBondContact O-N 3.05Å; F105-D109 HydrophobicContact CD1-CB 4.28Å; F105-D109 HydrophobicContact CE1-CB 3.96Å; F105-D109 WeakPolarHBondContact O-CB 3.39Å; F105-D109 PolarHBondContact O-N 3.24Å; F105-G114 WeakPolarHBondContact CZ-O 3.38Å; F105-I116 HydrophobicContact CD2-CD1 3.31Å; F105-I116 HydrophobicContact CD2-CG1 3.99Å; F105-I116 HydrophobicContact CE2-CD1 3.38Å; F105-I116 HydrophobicContact CE2-CG1 3.62Å; F105-I116 HydrophobicContact CG-CD1 4.05Å; F105-I116 HydrophobicContact CZ-CD1 4.16Å; F105-I116 HydrophobicContact CZ-CG1 3.91Å; F105-L166 HydrophobicContact CB-CD1 3.63Å; F105-L166 HydrophobicContact CD1-CD1 4.24Å; F105-L166 HydrophobicContact CD2-CB 4.13Å; F105-L166 HydrophobicContact CD2-CD1 3.84Å; F105-L166 HydrophobicContact CE1-CB 4.47Å; F105-L166 VanDerWaalsContact CE2-CA 3.44Å; F105-L166 HydrophobicContact CE2-CB 4.08Å; F105-L166 VanDerWaalsContact CE2-N 3.29Å; F105-L166 HydrophobicContact CG-CB 4.36Å; F105-L166 HydrophobicContact CG-CD1 3.62Å; F105-L166 HydrophobicContact CZ-CB 4.25Å; F105-F169 HydrophobicContact CB-CD1 4.19Å; F105-F169 HydrophobicContact CB-CE1 4.34Å; F105-F169 HydrophobicContact CD2-CB 3.83Å; F105-F169 HydrophobicContact CD2-CD1 4.08Å; F105-F169 AromaticContact CD2-CG 3.92Å; F105-F169 HydrophobicContact CD2-CG 3.92Å; F105-F169 HydrophobicContact CE2-CB 4.24Å
106K87.6Confident87.3Confident96 Ų9652 Ų5242%0.41726%0.263SS..Hα-helixtrans-60.2-28.8174.9-68.8-175.7176.1-171.90113.6V71 E74 R102 W103 A104V71-K106 HydrophobicContact CG1-CB 3.98Å; V71-K106 HydrophobicContact CG2-CB 4.49Å; V71-K106 WeakPolarHBondContact CG2-O 3.28Å; E74-K106 IonicContact OE1-NZ 4Å; R102-K106 PolarHBondContact O-N 2.83Å; R102-K106 VanDerWaalsContact O-N 3.14Å; W103-K106 PolarHBondContact O-N 2.73Å; A104-K106 VanDerWaalsContact C-N 3.31Å; A104-K106 PolarHBondContact O-N 2.8Å
107L87.3Confident87.7Confident12 Ų1250.2 Ų50.26%0.06325%0.252CS..Hα-helixtrans-73.3-34.7175.4-176.268.3000112F64 F67 V68 V71 W103 A104 F105 I124F64-L107 HydrophobicContact CE2-CD2 4.26Å; F64-L107 HydrophobicContact CZ-CD2 4.37Å; F67-L107 HydrophobicContact CB-CD1 3.9Å; V68-L107 HydrophobicContact CB-CD1 4.48Å; V68-L107 HydrophobicContact CG2-CD1 3.87Å; V71-L107 VanDerWaalsContact CG2-CA 3.49Å; V71-L107 HydrophobicContact CG2-CB 4.01Å; V71-L107 HydrophobicContact CG2-CD1 3.79Å; W103-L107 HydrophobicContact CH2-CD2 4.11Å; W103-L107 HydrophobicContact CZ3-CD2 4.09Å; W103-L107 PolarHBondContact O-N 2.84Å; A104-L107 WeakPolarHBondContact O-CA 3.49Å; A104-L107 VanDerWaalsContact O-CB 3.27Å; A104-L107 WeakPolarHBondContact O-CB 3.27Å; A104-L107 PolarHBondContact O-N 3.32Å; F105-L107 PolarHBondContact O-N 2.88Å; L107-I124 VanDerWaalsContact O-CD1 3.31Å; L107-I124 WeakPolarHBondContact O-CD1 3.45Å
108Y88Confident88.2Confident5 Ų549.5 Ų49.52%0.0224%0.243CC..Hα-helixtrans-83.5-30.8179.4-79.8-86000113.6A104 F105 L110 I116 E120 M121 I124 F169 L183A104-Y108 VanDerWaalsContact O-CD2 3.26Å; A104-Y108 WeakPolarHBondContact O-CD2 3.49Å; A104-Y108 PolarHBondContact O-N 3.31Å; F105-Y108 PolarHBondContact O-N 3.05Å; Y108-L110 PolarHBondContact O-N 3.05Å; Y108-I116 VanDerWaalsContact CB-CD1 3.46Å; Y108-I116 HydrophobicContact CG-CD1 4.41Å; Y108-E120 WeakPolarHBondContact O-CB 3.39Å; Y108-M121 HydrophobicContact CD1-CB 4.24Å; Y108-M121 HydrophobicContact CD1-CG 3.84Å; Y108-M121 HydrophobicContact CE1-CG 3.82Å; Y108-I124 HydrophobicContact CD1-CB 3.89Å; Y108-I124 HydrophobicContact CD1-CG1 3.93Å; Y108-I124 HydrophobicContact CD1-CG2 4.01Å; Y108-I124 HydrophobicContact CE1-CB 3.7Å; Y108-I124 HydrophobicContact CE1-CG1 4.25Å; Y108-I124 HydrophobicContact CE1-CG2 3.48Å; Y108-I124 VanDerWaalsContact CE1-CG2 3.48Å; Y108-I124 HydrophobicContact CE2-CG2 4.34Å; Y108-I124 HydrophobicContact CG-CG1 4.42Å; Y108-F169 HydrophobicContact CD2-CE2 4.42Å; Y108-F169 HydrophobicContact CD2-CZ 4.29Å; Y108-L183 HydrophobicContact CD2-CD2 4.26Å; Y108-L183 HydrophobicContact CE1-CD2 3.97Å; Y108-L183 HydrophobicContact CE2-CD2 3.45Å; Y108-L183 VanDerWaalsContact CE2-CD2 3.45Å; Y108-L183 VanDerWaalsContact OH-CD2 3.23Å; Y108-L183 WeakPolarHBondContact OH-CD2 3.45Å
109D90.2Very high88.5Confident8 Ų851.5 Ų51.54%0.04325%0.253CS..  trans-82.293.7174.6177.60.1000109.4F105 N112 D113 G114 I116F105-D109 HydrophobicContact CD1-CB 4.28Å; F105-D109 HydrophobicContact CE1-CB 3.96Å; F105-D109 WeakPolarHBondContact O-CB 3.39Å; F105-D109 PolarHBondContact O-N 3.24Å; D109-N112 WeakPolarHBondContact OD1-CA 3.23Å; D109-N112 PolarHBondContact OD1-N 2.92Å; D109-N112 WeakPolarHBondContact OD2-CA 3.48Å; D109-D113 PolarHBondContact OD1-N 3.06Å; D109-G114 VanDerWaalsContact OD2-CA 3.32Å; D109-G114 WeakPolarHBondContact OD2-CA 3.21Å; D109-G114 PolarHBondContact OD2-N 3.27Å; D109-I116 HydrophobicContact CB-CG1 4.16Å
110L87.3Confident88.9Confident55 Ų5549.9 Ų49.929%0.28825%0.245SC..SBendtrans-77.6-33.9-169.7-68.8-179000111.9F67 Y108 E120 N123 I124F67-L110 HydrophobicContact CD1-CD2 3.45Å; F67-L110 VanDerWaalsContact CD1-CD2 3.45Å; F67-L110 HydrophobicContact CE1-CD1 4.02Å; F67-L110 HydrophobicContact CE1-CD2 3.65Å; F67-L110 HydrophobicContact CG-CD2 4.05Å; F67-L110 HydrophobicContact CZ-CD1 4.27Å; F67-L110 HydrophobicContact CZ-CD2 4.37Å; Y108-L110 PolarHBondContact O-N 3.05Å; L110-E120 HydrophobicContact CB-CG 4.11Å; L110-E120 HydrophobicContact CD1-CB 4.22Å; L110-E120 HydrophobicContact CD1-CG 4.19Å; L110-E120 HydrophobicContact CG-CB 4.21Å; L110-E120 HydrophobicContact CG-CG 4.2Å; L110-E120 PolarHBondContact N-OE1 2.96Å; L110-N123 HydrophobicContact CD1-CB 3.97Å; L110-I124 HydrophobicContact CD2-CD1 3.74Å; L110-I124 HydrophobicContact CD2-CG1 4.47Å
111D88.4Confident89.1Confident98 Ų9846.5 Ų46.552%0.52423%0.231SC..SBendtrans-91.6-9.5-18071.811.3000113.8D113 E120D111-D113 VanDerWaalsContact C-N 3.32Å; D111-D113 WeakPolarHBondContact OD1-CB 3.4Å; D111-D113 VanDerWaalsContact OD1-CG 3.32Å; D111-D113 PolarHBondContact OD1-N 3.1Å; D111-E120 PolarHBondContact N-OE1 3.44Å
112N87.4Confident89.4Confident83 Ų8347.8 Ų47.844%0.44424%0.238SC..  trans62.333.6-176.8-55.7-100.4000113K76 D109 G114K76-N112 PolarHBondContact NZ-ND2 3.09Å; K76-N112 VanDerWaalsContact NZ-ND2 3.15Å; D109-N112 WeakPolarHBondContact OD1-CA 3.23Å; D109-N112 PolarHBondContact OD1-N 2.92Å; D109-N112 WeakPolarHBondContact OD2-CA 3.48Å; N112-G114 PolarHBondContact O-N 3.17Å
113D90.9Very high89.5Confident68 Ų6846 Ų4636%0.36424%0.236SC..SBendtrans-78.6-6.5175.286.2-9000113.2D109 D111 Y115 K163D109-D113 PolarHBondContact OD1-N 3.06Å; D111-D113 VanDerWaalsContact C-N 3.32Å; D111-D113 WeakPolarHBondContact OD1-CB 3.4Å; D111-D113 VanDerWaalsContact OD1-CG 3.32Å; D111-D113 PolarHBondContact OD1-N 3.1Å; D113-Y115 WeakPolarHBondContact O-CD2 3.27Å; D113-Y115 WeakPolarHBondContact OD1-CA 3.26Å; D113-Y115 VanDerWaalsContact OD1-CB 3.31Å; D113-Y115 WeakPolarHBondContact OD1-CB 3.4Å; D113-Y115 WeakPolarHBondContact OD1-CD2 3.39Å; D113-Y115 PolarHBondContact OD1-N 2.91Å; D113-K163 IonicContact OD2-NZ 2.98Å
114G91.6Very high89.6Confident36 Ų3644.2 Ų44.237%0.37123%0.229SC..SBendtrans89.88.2-179.100000114F105 D109 N112F105-G114 WeakPolarHBondContact CZ-O 3.38Å; D109-G114 VanDerWaalsContact OD2-CA 3.32Å; D109-G114 WeakPolarHBondContact OD2-CA 3.21Å; D109-G114 PolarHBondContact OD2-N 3.27Å; N112-G114 PolarHBondContact O-N 3.17Å
115Y94.2Very high89.5Confident97 Ų9743.7 Ų43.738%0.3822%0.224SC..EExtended strand (participates in β ladder)trans-131.5146.9177.6-56.6-91.4000110.2D113 K163 L164 T165D113-Y115 WeakPolarHBondContact O-CD2 3.27Å; D113-Y115 WeakPolarHBondContact OD1-CA 3.26Å; D113-Y115 VanDerWaalsContact OD1-CB 3.31Å; D113-Y115 WeakPolarHBondContact OD1-CB 3.4Å; D113-Y115 WeakPolarHBondContact OD1-CD2 3.39Å; D113-Y115 PolarHBondContact OD1-N 2.91Å; Y115-K163 HydrophobicContact CD1-CB 4.22Å; Y115-K163 HydrophobicContact CD1-CD 4.25Å; Y115-K163 HydrophobicContact CG-CD 4.09Å; Y115-L164 WeakPolarHBondContact CA-O 3.31Å; Y115-T165 HydrophobicContact CD1-CG2 3.95Å; Y115-T165 HydrophobicContact CE1-CG2 3.77Å
116I92.6Very high89.4Confident0 Ų045.2 Ų45.20%023%0.233CC..EExtended strand (participates in β ladder)trans-102.4120.3169.8-59.2161.5000108F105 Y108 D109 M121 F153 K163 L164 F169F105-I116 HydrophobicContact CD2-CD1 3.31Å; F105-I116 HydrophobicContact CD2-CG1 3.99Å; F105-I116 HydrophobicContact CE2-CD1 3.38Å; F105-I116 HydrophobicContact CE2-CG1 3.62Å; F105-I116 HydrophobicContact CG-CD1 4.05Å; F105-I116 HydrophobicContact CZ-CD1 4.16Å; F105-I116 HydrophobicContact CZ-CG1 3.91Å; Y108-I116 VanDerWaalsContact CB-CD1 3.46Å; Y108-I116 HydrophobicContact CG-CD1 4.41Å; D109-I116 HydrophobicContact CB-CG1 4.16Å; I116-M121 HydrophobicContact CG2-CB 4.13Å; I116-M121 HydrophobicContact CG2-CE 4.22Å; I116-F153 HydrophobicContact CG2-CZ 4.39Å; I116-F153 WeakPolarHBondContact O-CZ 3.41Å; I116-K163 CarbonylContact O-C 3.59Å; I116-K163 WeakPolarHBondContact O-CA 3.31Å; I116-L164 HydrophobicContact CB-CB 4.21Å; I116-L164 PolarHBondContact N-O 2.85Å; I116-L164 PolarHBondContact O-N 2.79Å; I116-F169 HydrophobicContact CD1-CD2 3.82Å; I116-F169 HydrophobicContact CD1-CE2 4.14Å; I116-F169 HydrophobicContact CD1-CG 4.29Å
117T93.4Very high89.3Confident33 Ų3340.7 Ų40.720%0.20221%0.213CC..EExtended strand (participates in β ladder)trans-89.1160.2172.365.50000111.6D119 E120 M121 F153 K163T117-D119 PolarHBondContact O-N 3.1Å; T117-E120 WeakPolarHBondContact CB-OE2 3.35Å; T117-E120 WeakPolarHBondContact CG2-OE2 3.14Å; T117-E120 PolarHBondContact N-OE2 2.92Å; T117-E120 PolarHBondContact O-N 2.71Å; T117-E120 WeakPolarHBondContact OG1-CG 3.46Å; T117-E120 PolarHBondContact OG1-N 3.05Å; T117-E120 PolarHBondContact OG1-OE2 2.81Å; T117-M121 PolarHBondContact O-N 3.43Å; T117-F153 WeakPolarHBondContact O-CZ 3.48Å; T117-K163 HydrophobicContact CG2-CG 4.38Å
118R91.5Very high88.9Confident83 Ų8340.6 Ų40.631%0.31321%0.213SC..Hα-helixtrans-55.6-40.6176.5-173.1-171.1173.9-80.2-1.9111.9M121 L122 V149 D150 F153R118-M121 PolarHBondContact O-N 3.24Å; R118-L122 WeakPolarHBondContact O-CB 3.35Å; R118-L122 PolarHBondContact O-N 2.93Å; R118-V149 HydrophobicContact CG-CG1 3.77Å; R118-D150 IonicContact CZ-OD1 2.73Å; R118-D150 IonicContact NE-OD1 3.84Å; R118-D150 PolarHBondContact NE-OD1 2.59Å; R118-D150 VanDerWaalsContact NH2-CG 3.28Å; R118-D150 IonicContact NH2-OD1 3.61Å; R118-D150 PolarHBondContact NH2-OD1 2.78Å; R118-D150 IonicContact NH2-OD2 3.66Å; R118-D150 PolarHBondContact NH2-OD2 3.24Å; R118-D150 VanDerWaalsContact NH2-OD2 3.15Å; R118-F153 VanDerWaalsContact CA-CE2 3.48Å; R118-F153 VanDerWaalsContact CA-CZ 3.43Å; R118-F153 HydrophobicContact CB-CD1 4.44Å; R118-F153 HydrophobicContact CB-CD2 4.43Å; R118-F153 HydrophobicContact CB-CE1 4.22Å; R118-F153 HydrophobicContact CB-CE2 4.23Å; R118-F153 HydrophobicContact CB-CZ 4.15Å; R118-F153 HydrophobicContact CG-CD2 4.42Å
119D91.9Very high88.5Confident102 Ų10242.2 Ų42.255%0.54522%0.219SC..Hα-helixtrans-69.5-38-178.2-67.7-28.4000111.7T117 L122 N123T117-D119 PolarHBondContact O-N 3.1Å; D119-L122 PolarHBondContact O-N 3.29Å; D119-N123 PolarHBondContact O-N 3.45Å; D119-N123 PolarHBondContact O-ND2 2.76Å
120E91.5Very high88.1Confident15 Ų1544.9 Ų44.97%0.0723%0.231CC..Hα-helixtrans-66.4-44.8175-69.4169.9118.500111.7Y108 L110 D111 T117 L122 N123 I124Y108-E120 WeakPolarHBondContact O-CB 3.39Å; L110-E120 HydrophobicContact CB-CG 4.11Å; L110-E120 HydrophobicContact CD1-CB 4.22Å; L110-E120 HydrophobicContact CD1-CG 4.19Å; L110-E120 HydrophobicContact CG-CB 4.21Å; L110-E120 HydrophobicContact CG-CG 4.2Å; L110-E120 PolarHBondContact N-OE1 2.96Å; D111-E120 PolarHBondContact N-OE1 3.44Å; T117-E120 WeakPolarHBondContact CB-OE2 3.35Å; T117-E120 WeakPolarHBondContact CG2-OE2 3.14Å; T117-E120 PolarHBondContact N-OE2 2.92Å; T117-E120 PolarHBondContact O-N 2.71Å; T117-E120 WeakPolarHBondContact OG1-CG 3.46Å; T117-E120 PolarHBondContact OG1-N 3.05Å; T117-E120 PolarHBondContact OG1-OE2 2.81Å; E120-L122 VanDerWaalsContact C-N 3.29Å; E120-L122 PolarHBondContact O-N 3.06Å; E120-N123 WeakPolarHBondContact O-CB 3.28Å; E120-N123 PolarHBondContact O-N 2.83Å; E120-N123 VanDerWaalsContact O-N 3.14Å; E120-I124 PolarHBondContact O-N 3.18Å; E120-I124 VanDerWaalsContact O-N 3.08Å
121M89.3Confident87.5Confident0 Ų042.5 Ų42.50%022%0.219CC..Hα-helixtrans-60.6-41.3175.3-169.4-178-75.100111.7Y108 I116 T117 R118 N123 I124 V125 V149 I152 F153 L164Y108-M121 HydrophobicContact CD1-CB 4.24Å; Y108-M121 HydrophobicContact CD1-CG 3.84Å; Y108-M121 HydrophobicContact CE1-CG 3.82Å; I116-M121 HydrophobicContact CG2-CB 4.13Å; I116-M121 HydrophobicContact CG2-CE 4.22Å; T117-M121 PolarHBondContact O-N 3.43Å; R118-M121 PolarHBondContact O-N 3.24Å; M121-N123 VanDerWaalsContact C-N 3.34Å; M121-N123 PolarHBondContact O-N 3.3Å; M121-I124 PolarHBondContact O-N 2.86Å; M121-V125 HydrophobicContact CG-CG2 4.36Å; M121-V125 VanDerWaalsContact O-CG2 3.3Å; M121-V125 WeakPolarHBondContact O-CG2 3.5Å; M121-V125 PolarHBondContact O-N 3.45Å; M121-V149 HydrophobicContact CB-CG1 4.15Å; M121-V149 HydrophobicContact CG-CG1 4.22Å; M121-V149 HydrophobicContact CG-CG2 4.06Å; M121-V149 HydrophobicContact SD-CG1 4.08Å; M121-V149 HydrophobicContact SD-CG2 4.41Å; M121-I152 HydrophobicContact CE-CG2 3.86Å; M121-I152 HydrophobicContact SD-CB 4.08Å; M121-I152 HydrophobicContact SD-CG2 3.77Å; M121-F153 HydrophobicContact CB-CE2 3.68Å; M121-F153 HydrophobicContact CE-CD2 3.91Å; M121-F153 HydrophobicContact CE-CE2 3.46Å; M121-F153 VanDerWaalsContact CE-CE2 3.46Å; M121-F153 HydrophobicContact CE-CZ 4.32Å; M121-F153 HydrophobicContact CG-CE2 4.19Å; M121-F153 HydrophobicContact SD-CD2 3.59Å; M121-F153 VanDerWaalsContact SD-CD2 3.59Å; M121-F153 HydrophobicContact SD-CE2 3.51Å; M121-F153 VanDerWaalsContact SD-CE2 3.51Å; M121-L164 HydrophobicContact CE-CD1 3.61Å
122L89.3Confident86.6Confident36 Ų3638.8 Ų38.819%0.18820%0.2CC..Hα-helixtrans-61.5-41.3175.2-176.860.6000112.5R118 D119 E120 I124 V125 D126 P145 E146 V149R118-L122 WeakPolarHBondContact O-CB 3.35Å; R118-L122 PolarHBondContact O-N 2.93Å; D119-L122 PolarHBondContact O-N 3.29Å; E120-L122 VanDerWaalsContact C-N 3.29Å; E120-L122 PolarHBondContact O-N 3.06Å; L122-I124 VanDerWaalsContact C-N 3.33Å; L122-I124 PolarHBondContact O-N 2.95Å; L122-V125 PolarHBondContact O-N 2.79Å; L122-D126 WeakPolarHBondContact O-CB 3.47Å; L122-D126 PolarHBondContact O-N 2.98Å; L122-P145 HydrophobicContact CD1-CB 3.67Å; L122-E146 HydrophobicContact CD1-CB 4.47Å; L122-E146 HydrophobicContact CD1-CG 3.96Å; L122-E146 HydrophobicContact CD2-CG 4.28Å; L122-V149 HydrophobicContact CB-CG2 4.24Å; L122-V149 HydrophobicContact CD1-CG2 4.11Å
123N89.5Confident85.7Confident70 Ų7036.2 Ų36.237%0.37419%0.193SC..Hα-helixtrans-61.6-40.5176.3-82.3-66.4000112.5F67 L110 D119 E120 M121 A127F67-N123 HydrophobicContact CZ-CB 4.36Å; L110-N123 HydrophobicContact CD1-CB 3.97Å; D119-N123 PolarHBondContact O-N 3.45Å; D119-N123 PolarHBondContact O-ND2 2.76Å; E120-N123 WeakPolarHBondContact O-CB 3.28Å; E120-N123 PolarHBondContact O-N 2.83Å; E120-N123 VanDerWaalsContact O-N 3.14Å; M121-N123 VanDerWaalsContact C-N 3.34Å; M121-N123 PolarHBondContact O-N 3.3Å; N123-A127 WeakPolarHBondContact O-CB 3.46Å; N123-A127 PolarHBondContact O-N 3.1Å; N123-A127 VanDerWaalsContact O-N 3.09Å
124I86.3Confident84.3Confident0 Ų041.3 Ų41.30%022%0.22CC..Hα-helixtrans-66.5-49.4175.7-64.2-52.7000111.2F67 L107 Y108 L110 E120 M121 L122 D126 A127 I128F67-I124 HydrophobicContact CB-CD1 3.9Å; F67-I124 HydrophobicContact CD1-CD1 4.24Å; F67-I124 HydrophobicContact CD2-CD1 3.23Å; F67-I124 HydrophobicContact CE2-CD1 3.66Å; F67-I124 HydrophobicContact CG-CD1 3.55Å; F67-I124 HydrophobicContact CZ-CD1 4.33Å; L107-I124 VanDerWaalsContact O-CD1 3.31Å; L107-I124 WeakPolarHBondContact O-CD1 3.45Å; Y108-I124 HydrophobicContact CD1-CB 3.89Å; Y108-I124 HydrophobicContact CD1-CG1 3.93Å; Y108-I124 HydrophobicContact CD1-CG2 4.01Å; Y108-I124 HydrophobicContact CE1-CB 3.7Å; Y108-I124 HydrophobicContact CE1-CG1 4.25Å; Y108-I124 HydrophobicContact CE1-CG2 3.48Å; Y108-I124 VanDerWaalsContact CE1-CG2 3.48Å; Y108-I124 HydrophobicContact CE2-CG2 4.34Å; Y108-I124 HydrophobicContact CG-CG1 4.42Å; L110-I124 HydrophobicContact CD2-CD1 3.74Å; L110-I124 HydrophobicContact CD2-CG1 4.47Å; E120-I124 PolarHBondContact O-N 3.18Å; E120-I124 VanDerWaalsContact O-N 3.08Å; M121-I124 PolarHBondContact O-N 2.86Å; L122-I124 VanDerWaalsContact C-N 3.33Å; L122-I124 PolarHBondContact O-N 2.95Å; I124-D126 PolarHBondContact O-N 3Å; I124-A127 PolarHBondContact O-N 3.04Å; I124-I128 HydrophobicContact CG2-CD1 3.89Å; I124-I128 HydrophobicContact CG2-CG1 4.49Å; I124-I128 WeakPolarHBondContact O-CG1 3.27Å; I124-I128 PolarHBondContact O-N 3.28Å
125V83.5Confident82.5Confident8 Ų844.3 Ų44.35%0.04823%0.231CC..Hα-helixtrans-63.2-42.9-178.2178.50000110.5M121 L122 A127 I128 Y129 P145 V149M121-V125 HydrophobicContact CG-CG2 4.36Å; M121-V125 VanDerWaalsContact O-CG2 3.3Å; M121-V125 WeakPolarHBondContact O-CG2 3.5Å; M121-V125 PolarHBondContact O-N 3.45Å; L122-V125 PolarHBondContact O-N 2.79Å; V125-A127 VanDerWaalsContact C-N 3.34Å; V125-A127 PolarHBondContact O-N 3.22Å; V125-I128 PolarHBondContact O-N 3.04Å; V125-Y129 HydrophobicContact CG1-CD2 3.84Å; V125-Y129 HydrophobicContact CG1-CE2 3.54Å; V125-Y129 WeakPolarHBondContact O-CD2 3.4Å; V125-Y129 PolarHBondContact O-N 2.95Å; V125-P145 HydrophobicContact CB-CB 4.35Å; V125-P145 HydrophobicContact CG1-CB 3.78Å; V125-P145 HydrophobicContact CG1-CG 4.46Å; V125-V149 HydrophobicContact CB-CG2 4.09Å; V125-V149 HydrophobicContact CG2-CG2 3.83Å
126D85.6Confident80.8Confident45 Ų4542.8 Ų42.824%0.24123%0.232CC..Hα-helixtrans-57.4-45173.5176.952.1000111.9K63 L122 I124 I128 Y129 Q130K63-D126 IonicContact NZ-OD2 3.2Å; K63-D126 PolarHBondContact NZ-OD2 3.49Å; L122-D126 WeakPolarHBondContact O-CB 3.47Å; L122-D126 PolarHBondContact O-N 2.98Å; I124-D126 PolarHBondContact O-N 3Å; D126-I128 VanDerWaalsContact C-N 3.32Å; D126-I128 PolarHBondContact O-N 3.37Å; D126-Y129 PolarHBondContact O-N 3.41Å; D126-Q130 WeakPolarHBondContact O-CG 3.05Å; D126-Q130 PolarHBondContact O-N 3.07Å; D126-Q130 PolarHBondContact OD1-NE2 2.94Å; D126-Q130 PolarHBondContact OD2-NE2 3.49Å
127A85.4Confident79.1Confident0 Ų052.2 Ų52.20%028%0.276CS..Hα-helixtrans-64.1-36.1177.900000112.8K63 F64 F67 N123 I124 V125 M131K63-A127 HydrophobicContact CB-CB 3.76Å; K63-A127 HydrophobicContact CD-CB 4.49Å; F64-A127 HydrophobicContact CB-CB 4.11Å; F67-A127 HydrophobicContact CD2-CB 4.08Å; F67-A127 HydrophobicContact CE2-CB 3.7Å; N123-A127 WeakPolarHBondContact O-CB 3.46Å; N123-A127 PolarHBondContact O-N 3.1Å; N123-A127 VanDerWaalsContact O-N 3.09Å; I124-A127 PolarHBondContact O-N 3.04Å; V125-A127 VanDerWaalsContact C-N 3.34Å; V125-A127 PolarHBondContact O-N 3.22Å; A127-M131 WeakPolarHBondContact O-CB 3.44Å; A127-M131 PolarHBondContact O-N 2.97Å
128I80.1Confident77.5Confident11 Ų1153.2 Ų53.26%0.05628%0.28CS..Hα-helixtrans-66.6-44174.3-66.3166.9000110.4F64 I124 V125 D126 Q130 M131 V132 L185F64-I128 HydrophobicContact CD2-CD1 4.46Å; F64-I128 HydrophobicContact CD2-CG1 3.6Å; F64-I128 HydrophobicContact CE2-CD1 3.98Å; F64-I128 HydrophobicContact CE2-CG1 3.54Å; F64-I128 HydrophobicContact CZ-CG1 4.46Å; I124-I128 HydrophobicContact CG2-CD1 3.89Å; I124-I128 HydrophobicContact CG2-CG1 4.49Å; I124-I128 WeakPolarHBondContact O-CG1 3.27Å; I124-I128 PolarHBondContact O-N 3.28Å; V125-I128 PolarHBondContact O-N 3.04Å; D126-I128 VanDerWaalsContact C-N 3.32Å; D126-I128 PolarHBondContact O-N 3.37Å; I128-Q130 VanDerWaalsContact C-N 3.32Å; I128-Q130 PolarHBondContact O-N 3.41Å; I128-M131 PolarHBondContact O-N 3.28Å; I128-V132 HydrophobicContact CG2-CG2 4.21Å; I128-V132 WeakPolarHBondContact O-CB 3.36Å; I128-V132 WeakPolarHBondContact O-CG2 3.39Å; I128-V132 PolarHBondContact O-N 3.46Å; I128-L185 HydrophobicContact CG2-CB 3.94Å; I128-L185 HydrophobicContact CG2-CD1 4.07Å; I128-L185 HydrophobicContact CG2-CD2 4.21Å; I128-L185 HydrophobicContact CG2-CG 4.3Å
129Y78.1Confident75.9Confident39 Ų3953.2 Ų53.215%0.15329%0.291CS..Hα-helixtrans-62.2-40.4177.8-84.7-123.7000111.2V125 D126 G133 L138 E142 P145 R148V125-Y129 HydrophobicContact CG1-CD2 3.84Å; V125-Y129 HydrophobicContact CG1-CE2 3.54Å; V125-Y129 WeakPolarHBondContact O-CD2 3.4Å; V125-Y129 PolarHBondContact O-N 2.95Å; D126-Y129 PolarHBondContact O-N 3.41Å; Y129-G133 WeakPolarHBondContact O-CA 3.22Å; Y129-G133 PolarHBondContact O-N 3.08Å; Y129-L138 HydrophobicContact CD1-CD1 4.06Å; Y129-L138 HydrophobicContact CE1-CD1 3.25Å; Y129-L138 HydrophobicContact CE2-CD1 4.21Å; Y129-L138 WeakPolarHBondContact OH-CD1 3.42Å; Y129-E142 PolarHBondContact OH-O 2.95Å; Y129-P145 HydrophobicContact CD1-CG 3.93Å; Y129-P145 HydrophobicContact CD2-CG 4.2Å; Y129-P145 HydrophobicContact CE1-CG 4.23Å; Y129-P145 HydrophobicContact CE2-CG 4.48Å; Y129-P145 HydrophobicContact CG-CG 3.9Å; Y129-R148 PolarHBondContact OH-NH1 3.31Å
130Q81.6Confident74.3Confident63 Ų6356.2 Ų56.229%0.29430%0.302SS..Hα-helixtrans-65.6-38.8174.5-72.8170.327.400112.5G59 D60 D126 I128G59-Q130 CarbonylContact C-O 3.57Å; G59-Q130 WeakPolarHBondContact CA-O 3.2Å; D60-Q130 PolarHBondContact N-O 2.8Å; D126-Q130 WeakPolarHBondContact O-CG 3.05Å; D126-Q130 PolarHBondContact O-N 3.07Å; D126-Q130 PolarHBondContact OD1-NE2 2.94Å; D126-Q130 PolarHBondContact OD2-NE2 3.49Å; I128-Q130 VanDerWaalsContact C-N 3.32Å; I128-Q130 PolarHBondContact O-N 3.41Å
131M76.3Confident72.5Confident6 Ų663.1 Ų63.13%0.0333%0.334CS..Hα-helixtrans-67.2-43.5178.4177.5174.275.600112.8Y52 F56 G59 P61 F64 A127 I128 L189Y52-M131 HydrophobicContact CD1-SD 4.13Å; Y52-M131 HydrophobicContact CE1-SD 4.32Å; F56-M131 HydrophobicContact CB-CG 4.09Å; F56-M131 HydrophobicContact CD1-CG 3.86Å; F56-M131 HydrophobicContact CD1-SD 4.37Å; F56-M131 HydrophobicContact CD2-CG 4.08Å; F56-M131 HydrophobicContact CD2-SD 3.88Å; F56-M131 HydrophobicContact CE1-CE 4.34Å; F56-M131 HydrophobicContact CE1-CG 4.36Å; F56-M131 HydrophobicContact CE1-SD 4.4Å; F56-M131 HydrophobicContact CE2-SD 3.96Å; F56-M131 HydrophobicContact CG-CG 3.72Å; F56-M131 HydrophobicContact CG-SD 4.13Å; F56-M131 HydrophobicContact CZ-CE 4.29Å; F56-M131 HydrophobicContact CZ-SD 4.24Å; G59-M131 WeakPolarHBondContact CA-O 3.16Å; P61-M131 HydrophobicContact CB-CB 4.49Å; P61-M131 HydrophobicContact CB-CG 3.88Å; P61-M131 HydrophobicContact CB-SD 4.09Å; F64-M131 HydrophobicContact CB-SD 4.11Å; F64-M131 HydrophobicContact CD1-CE 3.72Å; F64-M131 HydrophobicContact CD1-SD 3.41Å; F64-M131 WeakPolarHBondContact CD1-SD 3.48Å; F64-M131 HydrophobicContact CE1-CE 3.88Å; F64-M131 HydrophobicContact CE1-SD 4.09Å; F64-M131 HydrophobicContact CG-CE 4.16Å; F64-M131 HydrophobicContact CG-SD 3.94Å; F64-M131 HydrophobicContact CZ-CE 4.47Å; A127-M131 WeakPolarHBondContact O-CB 3.44Å; A127-M131 PolarHBondContact O-N 2.97Å; I128-M131 PolarHBondContact O-N 3.28Å; M131-L189 HydrophobicContact CE-CD1 4.28Å
132V69.7Low71.1Confident20 Ų2064.8 Ų64.812%0.12134%0.341CS..Hα-helixtrans-79.8-28.3-178.2177.70000111I128 T135 V136 L185I128-V132 HydrophobicContact CG2-CG2 4.21Å; I128-V132 WeakPolarHBondContact O-CB 3.36Å; I128-V132 WeakPolarHBondContact O-CG2 3.39Å; I128-V132 PolarHBondContact O-N 3.46Å; V132-T135 PolarHBondContact O-OG1 3.14Å; V132-V136 HydrophobicContact CG1-CB 3.89Å; V132-V136 HydrophobicContact CG1-CG2 3.26Å; V132-L185 HydrophobicContact CG2-CD2 4.4Å
133G67.1Low70Confident29 Ų2966.6 Ų66.630%0.29935%0.351SS..G310 helixtrans59.9-156.2-177.200000112.4Y129 T135Y129-G133 WeakPolarHBondContact O-CA 3.22Å; Y129-G133 PolarHBondContact O-N 3.08Å; G133-T135 PolarHBondContact O-N 3.45Å
134N61.1Low69.4Low174 Ų17465.3 Ų65.393%0.9335%0.346SS*.G310 helixtrans-75.515.3179.7-70.20.3000114.1V136N134-V136 VanDerWaalsContact C-N 3.31Å
135T55.4Low69Low100 Ų10066 Ų6661%0.61335%0.351SS*.G310 helixtrans-81.6-11.9-175.262.50000113.4V132 G133V132-T135 PolarHBondContact O-OG1 3.14Å; G133-T135 PolarHBondContact O-N 3.45Å
136V58.4Low69.2Low65 Ų6569.8 Ų69.839%0.39437%0.368SS..SBendtrans-115.5115.6177.3178.40000108.9V132 N134 L138V132-V136 HydrophobicContact CG1-CB 3.89Å; V132-V136 HydrophobicContact CG1-CG2 3.26Å; N134-V136 VanDerWaalsContact C-N 3.31Å; V136-L138 HydrophobicContact CG1-CD2 3.71Å; V136-L138 HydrophobicContact CG1-CG 4.01Å; V136-L138 PolarHBondContact O-N 2.98Å
137E57.2Low69Low197 Ų19772.7 Ų72.792%0.92138%0.378SS*.  trans-71106.7167.6-73.3-171.4154.300108.5
138L59.1Low68.8Low55 Ų5573.6 Ų73.629%0.28838%0.382SS..  trans-93.6144.2176-66.5171.1000110.3Y129 V136Y129-L138 HydrophobicContact CD1-CD1 4.06Å; Y129-L138 HydrophobicContact CE1-CD1 3.25Å; Y129-L138 HydrophobicContact CE2-CD1 4.21Å; Y129-L138 WeakPolarHBondContact OH-CD1 3.42Å; V136-L138 HydrophobicContact CG1-CD2 3.71Å; V136-L138 HydrophobicContact CG1-CG 4.01Å; V136-L138 PolarHBondContact O-N 2.98Å
139P57.3Low69.1Low83 Ų8373.1 Ų73.154%0.53938%0.379SS..  trans-56146.4173.8-20.831.1000111.8E141 E142 N143P139-E141 PolarHBondContact O-N 3.18Å; P139-E142 CarbonylContact O-C 3.41Å; P139-E142 PolarHBondContact O-N 3.46Å; P139-N143 PolarHBondContact O-N 3.09Å
140E58.7Low69.6Low165 Ų16574.8 Ų74.877%0.77139%0.391SS*.THydrogen-bonded Turntrans-57.1-23.7-179.4-74.5-172152.300114.4E142 N143E140-E142 VanDerWaalsContact C-N 3.34Å; E140-N143 PolarHBondContact O-ND2 3.29Å; E140-N143 PolarHBondContact O-OD1 2.78Å
141E53.2Low69.7Low159 Ų15977.2 Ų77.274%0.74340%0.397SS*.THydrogen-bonded Turntrans-79-17.4178.2-61-177.2-177.800112.8P139P139-E141 PolarHBondContact O-N 3.18Å
142E60Low70Confident35 Ų3577.3 Ų77.316%0.16440%0.398CS..SBendtrans-126.116.2179.1-62-171.7174.700112.2Y129 P139 E140 T144 R148 R151Y129-E142 PolarHBondContact OH-O 2.95Å; P139-E142 CarbonylContact O-C 3.41Å; P139-E142 PolarHBondContact O-N 3.46Å; E140-E142 VanDerWaalsContact C-N 3.34Å; E142-T144 PolarHBondContact O-N 3.28Å; E142-R148 IonicContact OE2-CZ 3.72Å; E142-R148 IonicContact OE2-NE 2.68Å; E142-R148 IonicContact OE2-NH2 2.73Å; E142-R151 IonicContact OE1-CZ 3.29Å; E142-R151 IonicContact OE1-NH1 3.11Å; E142-R151 PolarHBondContact OE1-NH1 3.22Å
143N66.5Low70.9Confident74 Ų7477 Ų7740%0.39640%0.395SS..SBendtrans-73.8-11.2-17467.2-7.6000113.9P139 E140P139-N143 PolarHBondContact O-N 3.09Å; E140-N143 PolarHBondContact O-ND2 3.29Å; E140-N143 PolarHBondContact O-OD1 2.78Å
144T77.6Confident71.7Confident44 Ų4479.7 Ų79.727%0.2741%0.414SS..SBendtrans-119145.217187.50000111.5E142 E146 K147 R148E142-T144 PolarHBondContact O-N 3.28Å; T144-E146 WeakPolarHBondContact CB-OE2 3.49Å; T144-E146 PolarHBondContact O-N 3.36Å; T144-E146 PolarHBondContact OG1-OE2 3.3Å; T144-K147 PolarHBondContact O-N 3.15Å; T144-K147 PolarHBondContact OG1-N 3.34Å; T144-R148 PolarHBondContact O-N 3.32Å
145P77.8Confident72.8Confident15 Ų1574.4 Ų74.410%0.09739%0.385CS..Hα-helixtrans-51.9-40.8173.6-29.937.5000113.5L122 V125 Y129 R148 V149L122-P145 HydrophobicContact CD1-CB 3.67Å; V125-P145 HydrophobicContact CB-CB 4.35Å; V125-P145 HydrophobicContact CG1-CB 3.78Å; V125-P145 HydrophobicContact CG1-CG 4.46Å; Y129-P145 HydrophobicContact CD1-CG 3.93Å; Y129-P145 HydrophobicContact CD2-CG 4.2Å; Y129-P145 HydrophobicContact CE1-CG 4.23Å; Y129-P145 HydrophobicContact CE2-CG 4.48Å; Y129-P145 HydrophobicContact CG-CG 3.9Å; P145-R148 PolarHBondContact O-N 3.12Å; P145-V149 WeakPolarHBondContact O-CG2 3.23Å; P145-V149 PolarHBondContact O-N 2.6Å
146E86.5Confident74.4Confident87 Ų8769.7 Ų69.741%0.40736%0.356SS..Hα-helixtrans-65.4-48.6-174.4-56.476.4-170.800112.1L122 T144 R148 V149 D150L122-E146 HydrophobicContact CD1-CB 4.47Å; L122-E146 HydrophobicContact CD1-CG 3.96Å; L122-E146 HydrophobicContact CD2-CG 4.28Å; T144-E146 WeakPolarHBondContact CB-OE2 3.49Å; T144-E146 PolarHBondContact O-N 3.36Å; T144-E146 PolarHBondContact OG1-OE2 3.3Å; E146-R148 PolarHBondContact O-N 2.89Å; E146-V149 PolarHBondContact O-N 3.05Å; E146-D150 WeakPolarHBondContact O-CB 3.18Å; E146-D150 VanDerWaalsContact O-CG 3.28Å; E146-D150 PolarHBondContact O-N 3.18Å
147K83.1Confident75.8Confident106 Ų10667.9 Ų67.946%0.46134%0.344SS..Hα-helixtrans-59.5-39178.7-73.7178.1178.7176.20111.5T144 R151T144-K147 PolarHBondContact O-N 3.15Å; T144-K147 PolarHBondContact OG1-N 3.34Å; K147-R151 WeakPolarHBondContact O-CB 3.23Å; K147-R151 PolarHBondContact O-N 3.15Å; K147-R151 VanDerWaalsContact O-N 3.07Å
148R81.2Confident77.2Confident19 Ų1966 Ų667%0.07233%0.333CS..Hα-helixtrans-67-45.7179.4-166.8174-163.1156.86.9111.4Y129 E142 T144 P145 E146 R151 I152 A182 L185Y129-R148 PolarHBondContact OH-NH1 3.31Å; E142-R148 IonicContact OE2-CZ 3.72Å; E142-R148 IonicContact OE2-NE 2.68Å; E142-R148 IonicContact OE2-NH2 2.73Å; T144-R148 PolarHBondContact O-N 3.32Å; P145-R148 PolarHBondContact O-N 3.12Å; E146-R148 PolarHBondContact O-N 2.89Å; R148-R151 PolarHBondContact O-N 3.03Å; R148-I152 HydrophobicContact CG-CD1 4.1Å; R148-I152 VanDerWaalsContact O-CG1 3.29Å; R148-I152 WeakPolarHBondContact O-CG1 3.37Å; R148-I152 PolarHBondContact O-N 2.99Å; R148-A182 VanDerWaalsContact NH2-CB 3.28Å; R148-L185 VanDerWaalsContact NH1-CD1 3.35Å
149V86.2Confident78.6Confident0 Ų067.6 Ų67.60%034%0.341CS..Hα-helixtrans-62.7-46.9176.71720000110.9R118 M121 L122 V125 P145 E146 R151 I152 F153R118-V149 HydrophobicContact CG-CG1 3.77Å; M121-V149 HydrophobicContact CB-CG1 4.15Å; M121-V149 HydrophobicContact CG-CG1 4.22Å; M121-V149 HydrophobicContact CG-CG2 4.06Å; M121-V149 HydrophobicContact SD-CG1 4.08Å; M121-V149 HydrophobicContact SD-CG2 4.41Å; L122-V149 HydrophobicContact CB-CG2 4.24Å; L122-V149 HydrophobicContact CD1-CG2 4.11Å; V125-V149 HydrophobicContact CB-CG2 4.09Å; V125-V149 HydrophobicContact CG2-CG2 3.83Å; P145-V149 WeakPolarHBondContact O-CG2 3.23Å; P145-V149 PolarHBondContact O-N 2.6Å; E146-V149 PolarHBondContact O-N 3.05Å; V149-R151 VanDerWaalsContact C-N 3.29Å; V149-R151 PolarHBondContact O-N 2.87Å; V149-I152 PolarHBondContact O-N 3.34Å; V149-I152 VanDerWaalsContact O-N 3.17Å; V149-F153 HydrophobicContact CG1-CD2 3.86Å; V149-F153 HydrophobicContact CG1-CE2 4.29Å; V149-F153 WeakPolarHBondContact O-CB 3.3Å; V149-F153 PolarHBondContact O-N 3.48Å
150D87Confident80.1Confident74 Ų7467.6 Ų67.640%0.39635%0.348SS..Hα-helixtrans-58.4-42.4179.2-73.9-28.3000111.9R118 E146 A154R118-D150 IonicContact CZ-OD1 2.73Å; R118-D150 IonicContact NE-OD1 3.84Å; R118-D150 PolarHBondContact NE-OD1 2.59Å; R118-D150 VanDerWaalsContact NH2-CG 3.28Å; R118-D150 IonicContact NH2-OD1 3.61Å; R118-D150 PolarHBondContact NH2-OD1 2.78Å; R118-D150 IonicContact NH2-OD2 3.66Å; R118-D150 PolarHBondContact NH2-OD2 3.24Å; R118-D150 VanDerWaalsContact NH2-OD2 3.15Å; E146-D150 WeakPolarHBondContact O-CB 3.18Å; E146-D150 VanDerWaalsContact O-CG 3.28Å; E146-D150 PolarHBondContact O-N 3.18Å; D150-A154 VanDerWaalsContact O-CB 3.31Å; D150-A154 WeakPolarHBondContact O-CB 3.38Å; D150-A154 PolarHBondContact O-N 2.83Å
151R83.7Confident81.6Confident115 Ų11563.6 Ų63.643%0.43433%0.332SS..Hα-helixtrans-63.1-48.4175.4-177.9-177.7172-177.62.7111.6E142 K147 R148 V149 A154 M155E142-R151 IonicContact OE1-CZ 3.29Å; E142-R151 IonicContact OE1-NH1 3.11Å; E142-R151 PolarHBondContact OE1-NH1 3.22Å; K147-R151 WeakPolarHBondContact O-CB 3.23Å; K147-R151 PolarHBondContact O-N 3.15Å; K147-R151 VanDerWaalsContact O-N 3.07Å; R148-R151 PolarHBondContact O-N 3.03Å; V149-R151 VanDerWaalsContact C-N 3.29Å; V149-R151 PolarHBondContact O-N 2.87Å; R151-A154 PolarHBondContact O-N 3.41Å; R151-M155 HydrophobicContact CG-SD 4.23Å; R151-M155 VanDerWaalsContact O-CG 3.28Å; R151-M155 WeakPolarHBondContact O-CG 3.36Å; R151-M155 PolarHBondContact O-N 3.47Å
152I83.9Confident83.3Confident8 Ų858 Ų584%0.04132%0.317CS..Hα-helixtrans-62.5-46.6-179.6-67.5166.8000110.3M121 R148 V149 M155 M156 I179 A182M121-I152 HydrophobicContact CE-CG2 3.86Å; M121-I152 HydrophobicContact SD-CB 4.08Å; M121-I152 HydrophobicContact SD-CG2 3.77Å; R148-I152 HydrophobicContact CG-CD1 4.1Å; R148-I152 VanDerWaalsContact O-CG1 3.29Å; R148-I152 WeakPolarHBondContact O-CG1 3.37Å; R148-I152 PolarHBondContact O-N 2.99Å; V149-I152 PolarHBondContact O-N 3.34Å; V149-I152 VanDerWaalsContact O-N 3.17Å; I152-M155 PolarHBondContact O-N 3.17Å; I152-M155 VanDerWaalsContact O-N 3.15Å; I152-M156 HydrophobicContact CG2-CE 3.94Å; I152-M156 HydrophobicContact CG2-CG 4.16Å; I152-M156 HydrophobicContact CG2-SD 3.94Å; I152-M156 WeakPolarHBondContact O-CG 3.35Å; I152-M156 PolarHBondContact O-N 2.83Å; I152-I179 HydrophobicContact CG2-CG2 4.48Å; I152-A182 HydrophobicContact CD1-CB 4.06Å
153F87.2Confident84.9Confident14 Ų1460 Ų606%0.06133%0.325CS..Hα-helixtrans-59.5-49.3177.9-101.7-95.9000112I116 T117 R118 M121 V149 M155 M156 D157 L164I116-F153 HydrophobicContact CG2-CZ 4.39Å; I116-F153 WeakPolarHBondContact O-CZ 3.41Å; T117-F153 WeakPolarHBondContact O-CZ 3.48Å; R118-F153 VanDerWaalsContact CA-CE2 3.48Å; R118-F153 VanDerWaalsContact CA-CZ 3.43Å; R118-F153 HydrophobicContact CB-CD1 4.44Å; R118-F153 HydrophobicContact CB-CD2 4.43Å; R118-F153 HydrophobicContact CB-CE1 4.22Å; R118-F153 HydrophobicContact CB-CE2 4.23Å; R118-F153 HydrophobicContact CB-CZ 4.15Å; R118-F153 HydrophobicContact CG-CD2 4.42Å; M121-F153 HydrophobicContact CB-CE2 3.68Å; M121-F153 HydrophobicContact CE-CD2 3.91Å; M121-F153 HydrophobicContact CE-CE2 3.46Å; M121-F153 VanDerWaalsContact CE-CE2 3.46Å; M121-F153 HydrophobicContact CE-CZ 4.32Å; M121-F153 HydrophobicContact CG-CE2 4.19Å; M121-F153 HydrophobicContact SD-CD2 3.59Å; M121-F153 VanDerWaalsContact SD-CD2 3.59Å; M121-F153 HydrophobicContact SD-CE2 3.51Å; M121-F153 VanDerWaalsContact SD-CE2 3.51Å; V149-F153 HydrophobicContact CG1-CD2 3.86Å; V149-F153 HydrophobicContact CG1-CE2 4.29Å; V149-F153 WeakPolarHBondContact O-CB 3.3Å; V149-F153 PolarHBondContact O-N 3.48Å; F153-M155 PolarHBondContact O-N 3.1Å; F153-M155 VanDerWaalsContact O-N 3.1Å; F153-M156 PolarHBondContact O-N 3.49Å; F153-D157 HydrophobicContact CD1-CB 4.47Å; F153-D157 VanDerWaalsContact O-CB 3.22Å; F153-D157 WeakPolarHBondContact O-CB 3.24Å; F153-D157 PolarHBondContact O-N 3.34Å; F153-L164 HydrophobicContact CD1-CD1 4.33Å; F153-L164 HydrophobicContact CD1-CD2 4.48Å; F153-L164 HydrophobicContact CD1-CG 4.19Å; F153-L164 HydrophobicContact CD2-CD1 4.27Å; F153-L164 HydrophobicContact CE1-CD1 3.97Å; F153-L164 HydrophobicContact CE1-CD2 4.38Å; F153-L164 HydrophobicContact CE1-CG 3.69Å; F153-L164 HydrophobicContact CE2-CD1 3.89Å; F153-L164 HydrophobicContact CE2-CG 4.49Å; F153-L164 HydrophobicContact CG-CD1 4.46Å; F153-L164 HydrophobicContact CZ-CD1 3.7Å; F153-L164 HydrophobicContact CZ-CG 3.83Å
154A85.8Confident86.1Confident85 Ų8556.5 Ų56.570%0.70231%0.306SS*.Hα-helixtrans-60.5-24.617900000113.4D150 R151D150-A154 VanDerWaalsContact O-CB 3.31Å; D150-A154 WeakPolarHBondContact O-CB 3.38Å; D150-A154 PolarHBondContact O-N 2.83Å; R151-A154 PolarHBondContact O-N 3.41Å
155M84.2Confident86.9Confident63 Ų6356.2 Ų56.231%0.3130%0.304SS..Hα-helixtrans-86.4-36.9177.6-68.2-176.875.200112.9R151 I152 F153 K158 D176 I179R151-M155 HydrophobicContact CG-SD 4.23Å; R151-M155 VanDerWaalsContact O-CG 3.28Å; R151-M155 WeakPolarHBondContact O-CG 3.36Å; R151-M155 PolarHBondContact O-N 3.47Å; I152-M155 PolarHBondContact O-N 3.17Å; I152-M155 VanDerWaalsContact O-N 3.15Å; F153-M155 PolarHBondContact O-N 3.1Å; F153-M155 VanDerWaalsContact O-N 3.1Å; M155-K158 WeakPolarHBondContact O-CE 3.17Å; M155-K158 PolarHBondContact O-NZ 2.86Å; M155-D176 HydrophobicContact CE-CB 4.25Å; M155-D176 WeakPolarHBondContact CE-OD2 3.41Å; M155-I179 HydrophobicContact CB-CD1 4.13Å
156M87.4Confident87.5Confident0 Ų058.3 Ų58.30%031%0.314CS..Hα-helixtrans-89.3-39.7-175.8-67.7-164.8171.600114.2I152 F153 K158 L164 F169 I179 L183I152-M156 HydrophobicContact CG2-CE 3.94Å; I152-M156 HydrophobicContact CG2-CG 4.16Å; I152-M156 HydrophobicContact CG2-SD 3.94Å; I152-M156 WeakPolarHBondContact O-CG 3.35Å; I152-M156 PolarHBondContact O-N 2.83Å; F153-M156 PolarHBondContact O-N 3.49Å; M156-K158 VanDerWaalsContact C-N 3.34Å; M156-K158 PolarHBondContact O-N 2.84Å; M156-L164 HydrophobicContact CB-CD1 3.98Å; M156-L164 HydrophobicContact CB-CD2 3.5Å; M156-L164 VanDerWaalsContact CB-CD2 3.5Å; M156-L164 HydrophobicContact CB-CG 4.39Å; M156-L164 HydrophobicContact CG-CD1 4.48Å; M156-L164 HydrophobicContact SD-CD1 3.67Å; M156-F169 HydrophobicContact CE-CD2 3.85Å; M156-F169 HydrophobicContact CE-CE2 4.12Å; M156-F169 HydrophobicContact SD-CD2 3.83Å; M156-I179 HydrophobicContact CE-CB 4.39Å; M156-I179 HydrophobicContact CE-CD1 4.09Å; M156-I179 HydrophobicContact CE-CG2 3.08Å; M156-I179 HydrophobicContact CG-CD1 4.06Å; M156-L183 HydrophobicContact CE-CD1 4.32Å
157D89.3Confident87.8Confident27 Ų2760.1 Ų60.114%0.14432%0.323CS..  trans-75.484.3-176.5-176.60.9000109.4F153 N159 A160 D161 G162 L164F153-D157 HydrophobicContact CD1-CB 4.47Å; F153-D157 VanDerWaalsContact O-CB 3.22Å; F153-D157 WeakPolarHBondContact O-CB 3.24Å; F153-D157 PolarHBondContact O-N 3.34Å; D157-N159 PolarHBondContact OD1-OD1 3.17Å; D157-A160 WeakPolarHBondContact OD1-CA 3.46Å; D157-A160 PolarHBondContact OD1-N 3.02Å; D157-A160 WeakPolarHBondContact OD2-CA 3.48Å; D157-D161 PolarHBondContact OD1-N 3.42Å; D157-G162 WeakPolarHBondContact OD2-CA 3.39Å; D157-G162 PolarHBondContact OD2-N 3.29Å; D157-L164 HydrophobicContact CB-CD2 3.69Å
158K85.1Confident88.2Confident158 Ų15856 Ų5669%0.68731%0.305SS*.SBendtrans-75.7-31.5-175.4-65.3-52.3-171.7-162.90112.3M155 M156M155-K158 WeakPolarHBondContact O-CE 3.17Å; M155-K158 PolarHBondContact O-NZ 2.86Å; M156-K158 VanDerWaalsContact C-N 3.34Å; M156-K158 PolarHBondContact O-N 2.84Å
159N89.3Confident88.5Confident88 Ų8855 Ų5547%0.47130%0.302SS..SBendtrans-89.1-9.4-177.873.48.8000112.2D157 D161 E168D157-N159 PolarHBondContact OD1-OD1 3.17Å; N159-D161 VanDerWaalsContact C-N 3.26Å; N159-D161 PolarHBondContact ND2-OD2 3.35Å; N159-D161 PolarHBondContact O-N 2.85Å; N159-D161 VanDerWaalsContact OD1-CB 3.26Å; N159-D161 WeakPolarHBondContact OD1-CB 2.97Å; N159-D161 PolarHBondContact OD1-N 3.05Å; N159-D161 PolarHBondContact OD1-OD1 2.67Å; N159-D161 PolarHBondContact OD1-OD2 3.44Å; N159-E168 PolarHBondContact ND2-OE1 3.34Å
160A88.1Confident88.6Confident83 Ų8356.7 Ų56.769%0.68631%0.31SS*.  trans57.934.9-17900000112.9D157 G162D157-A160 WeakPolarHBondContact OD1-CA 3.46Å; D157-A160 PolarHBondContact OD1-N 3.02Å; D157-A160 WeakPolarHBondContact OD2-CA 3.48Å; A160-G162 VanDerWaalsContact C-N 3.28Å
161D90.9Very high88.7Confident82 Ų8258 Ų5844%0.43931%0.313SS..SBendtrans-84.4-4.9177.976.514.6000113.1D157 N159 K163D157-D161 PolarHBondContact OD1-N 3.42Å; N159-D161 VanDerWaalsContact C-N 3.26Å; N159-D161 PolarHBondContact ND2-OD2 3.35Å; N159-D161 PolarHBondContact O-N 2.85Å; N159-D161 VanDerWaalsContact OD1-CB 3.26Å; N159-D161 WeakPolarHBondContact OD1-CB 2.97Å; N159-D161 PolarHBondContact OD1-N 3.05Å; N159-D161 PolarHBondContact OD1-OD1 2.67Å; N159-D161 PolarHBondContact OD1-OD2 3.44Å; D161-K163 VanDerWaalsContact C-N 3.31Å; D161-K163 WeakPolarHBondContact OD1-CA 3.19Å; D161-K163 WeakPolarHBondContact OD1-CB 3.45Å; D161-K163 PolarHBondContact OD1-N 3.18Å
162G88.8Confident88.8Confident40 Ų4052.9 Ų52.941%0.41230%0.296SS..SBendtrans81.19.1178.400000113.9D157 A160D157-G162 WeakPolarHBondContact OD2-CA 3.39Å; D157-G162 PolarHBondContact OD2-N 3.29Å; A160-G162 VanDerWaalsContact C-N 3.28Å
163K93.4Very high88.7Confident78 Ų7852.6 Ų52.634%0.33930%0.295SS..EExtended strand (participates in β ladder)trans-133.7156177.9-58.2-168.3172.8-156.70109.8D113 Y115 I116 T117 D161D113-K163 IonicContact OD2-NZ 2.98Å; Y115-K163 HydrophobicContact CD1-CB 4.22Å; Y115-K163 HydrophobicContact CD1-CD 4.25Å; Y115-K163 HydrophobicContact CG-CD 4.09Å; I116-K163 CarbonylContact O-C 3.59Å; I116-K163 WeakPolarHBondContact O-CA 3.31Å; T117-K163 HydrophobicContact CG2-CG 4.38Å; D161-K163 VanDerWaalsContact C-N 3.31Å; D161-K163 WeakPolarHBondContact OD1-CA 3.19Å; D161-K163 WeakPolarHBondContact OD1-CB 3.45Å; D161-K163 PolarHBondContact OD1-N 3.18Å
164L92.5Very high88.5Confident0 Ų057 Ų570%032%0.315CS..EExtended strand (participates in β ladder)trans-114.8120.7175.1-59.9174.6000110Y115 I116 M121 F153 M156 D157 E168Y115-L164 WeakPolarHBondContact CA-O 3.31Å; I116-L164 HydrophobicContact CB-CB 4.21Å; I116-L164 PolarHBondContact N-O 2.85Å; I116-L164 PolarHBondContact O-N 2.79Å; M121-L164 HydrophobicContact CE-CD1 3.61Å; F153-L164 HydrophobicContact CD1-CD1 4.33Å; F153-L164 HydrophobicContact CD1-CD2 4.48Å; F153-L164 HydrophobicContact CD1-CG 4.19Å; F153-L164 HydrophobicContact CD2-CD1 4.27Å; F153-L164 HydrophobicContact CE1-CD1 3.97Å; F153-L164 HydrophobicContact CE1-CD2 4.38Å; F153-L164 HydrophobicContact CE1-CG 3.69Å; F153-L164 HydrophobicContact CE2-CD1 3.89Å; F153-L164 HydrophobicContact CE2-CG 4.49Å; F153-L164 HydrophobicContact CG-CD1 4.46Å; F153-L164 HydrophobicContact CZ-CD1 3.7Å; F153-L164 HydrophobicContact CZ-CG 3.83Å; M156-L164 HydrophobicContact CB-CD1 3.98Å; M156-L164 HydrophobicContact CB-CD2 3.5Å; M156-L164 VanDerWaalsContact CB-CD2 3.5Å; M156-L164 HydrophobicContact CB-CG 4.39Å; M156-L164 HydrophobicContact CG-CD1 4.48Å; M156-L164 HydrophobicContact SD-CD1 3.67Å; D157-L164 HydrophobicContact CB-CD2 3.69Å; L164-E168 HydrophobicContact CD2-CB 4.43Å
165T94Very high88.3Confident38 Ų3857 Ų5723%0.23332%0.315CS..EExtended strand (participates in β ladder)trans-74.5161.3168.4610000111.1Y115 Q167 E168 F169Y115-T165 HydrophobicContact CD1-CG2 3.95Å; Y115-T165 HydrophobicContact CE1-CG2 3.77Å; T165-Q167 PolarHBondContact O-N 2.97Å; T165-Q167 VanDerWaalsContact O-N 3.17Å; T165-E168 WeakPolarHBondContact CB-OE2 3.28Å; T165-E168 PolarHBondContact N-OE2 3.2Å; T165-E168 PolarHBondContact O-N 3.23Å; T165-E168 WeakPolarHBondContact OG1-CG 3.33Å; T165-E168 PolarHBondContact OG1-N 2.73Å; T165-E168 PolarHBondContact OG1-OE2 2.68Å; T165-F169 WeakPolarHBondContact O-CB 3.45Å; T165-F169 PolarHBondContact O-N 3.41Å
166L90.9Very high87.8Confident59 Ų5955.8 Ų55.831%0.30931%0.309SS..Hα-helixtrans-54.1-35.9172.2176.464000112R102 F105 Q170R102-L166 HydrophobicContact CG-CD1 4.07Å; R102-L166 HydrophobicContact CG-CD2 4.08Å; F105-L166 HydrophobicContact CB-CD1 3.63Å; F105-L166 HydrophobicContact CD1-CD1 4.24Å; F105-L166 HydrophobicContact CD2-CB 4.13Å; F105-L166 HydrophobicContact CD2-CD1 3.84Å; F105-L166 HydrophobicContact CE1-CB 4.47Å; F105-L166 VanDerWaalsContact CE2-CA 3.44Å; F105-L166 HydrophobicContact CE2-CB 4.08Å; F105-L166 VanDerWaalsContact CE2-N 3.29Å; F105-L166 HydrophobicContact CG-CB 4.36Å; F105-L166 HydrophobicContact CG-CD1 3.62Å; F105-L166 HydrophobicContact CZ-CB 4.25Å; L166-Q170 HydrophobicContact CD1-CG 4.09Å; L166-Q170 HydrophobicContact CG-CG 4.44Å; L166-Q170 WeakPolarHBondContact O-CB 3.48Å; L166-Q170 VanDerWaalsContact O-CG 3.23Å; L166-Q170 WeakPolarHBondContact O-CG 3.28Å; L166-Q170 PolarHBondContact O-N 3.15Å
167Q91.5Very high87Confident125 Ų12560.3 Ų60.358%0.58434%0.338SS*.Hα-helixtrans-66.4-50.1178.8-175.9176.3-5.200111.3T165 F169 Q170 E171T165-Q167 PolarHBondContact O-N 2.97Å; T165-Q167 VanDerWaalsContact O-N 3.17Å; Q167-F169 VanDerWaalsContact C-N 3.3Å; Q167-F169 PolarHBondContact O-N 3.24Å; Q167-Q170 PolarHBondContact O-N 2.84Å; Q167-E171 HydrophobicContact CG-CG 4.37Å; Q167-E171 VanDerWaalsContact CG-OE1 3.31Å; Q167-E171 WeakPolarHBondContact CG-OE1 3.36Å; Q167-E171 PolarHBondContact NE2-OE1 2.97Å; Q167-E171 WeakPolarHBondContact O-CB 3.21Å; Q167-E171 WeakPolarHBondContact O-CG 3.5Å; Q167-E171 PolarHBondContact O-N 3.38Å
168E91.3Very high85.9Confident19 Ų1960.9 Ų60.99%0.08935%0.345CS..Hα-helixtrans-61.8-39.6177.6-73.7161.2143.300111.9N159 L164 T165 G172N159-E168 PolarHBondContact ND2-OE1 3.34Å; L164-E168 HydrophobicContact CD2-CB 4.43Å; T165-E168 WeakPolarHBondContact CB-OE2 3.28Å; T165-E168 PolarHBondContact N-OE2 3.2Å; T165-E168 PolarHBondContact O-N 3.23Å; T165-E168 WeakPolarHBondContact OG1-CG 3.33Å; T165-E168 PolarHBondContact OG1-N 2.73Å; T165-E168 PolarHBondContact OG1-OE2 2.68Å; E168-G172 PolarHBondContact O-N 3.43Å
169F88.9Confident85Confident0 Ų053.6 Ų53.60%031%0.313CS..Hα-helixtrans-62.3-44.6175.1-175.4-98.2000111.9L101 A104 F105 Y108 I116 M156 T165 Q167 S173 L183L101-F169 HydrophobicContact CD2-CE1 4.21Å; L101-F169 WeakPolarHBondContact O-CE1 3.41Å; A104-F169 HydrophobicContact CB-CE1 4.12Å; A104-F169 HydrophobicContact CB-CZ 4.13Å; F105-F169 HydrophobicContact CB-CD1 4.19Å; F105-F169 HydrophobicContact CB-CE1 4.34Å; F105-F169 HydrophobicContact CD2-CB 3.83Å; F105-F169 HydrophobicContact CD2-CD1 4.08Å; F105-F169 AromaticContact CD2-CG 3.92Å; F105-F169 HydrophobicContact CD2-CG 3.92Å; F105-F169 HydrophobicContact CE2-CB 4.24Å; Y108-F169 HydrophobicContact CD2-CE2 4.42Å; Y108-F169 HydrophobicContact CD2-CZ 4.29Å; I116-F169 HydrophobicContact CD1-CD2 3.82Å; I116-F169 HydrophobicContact CD1-CE2 4.14Å; I116-F169 HydrophobicContact CD1-CG 4.29Å; M156-F169 HydrophobicContact CE-CD2 3.85Å; M156-F169 HydrophobicContact CE-CE2 4.12Å; M156-F169 HydrophobicContact SD-CD2 3.83Å; T165-F169 WeakPolarHBondContact O-CB 3.45Å; T165-F169 PolarHBondContact O-N 3.41Å; Q167-F169 VanDerWaalsContact C-N 3.3Å; Q167-F169 PolarHBondContact O-N 3.24Å; F169-S173 WeakPolarHBondContact O-CB 3.29Å; F169-S173 PolarHBondContact O-N 3.42Å; F169-S173 PolarHBondContact O-OG 2.92Å; F169-L183 HydrophobicContact CE1-CD1 4.44Å; F169-L183 HydrophobicContact CE2-CD1 3.72Å; F169-L183 HydrophobicContact CE2-CD2 4.05Å; F169-L183 HydrophobicContact CZ-CD1 3.53Å; F169-L183 HydrophobicContact CZ-CD2 4.24Å; F169-L183 HydrophobicContact CZ-CG 4.49Å
170Q88.1Confident83.9Confident35 Ų3551.2 Ų51.216%0.16430%0.302CS..Hα-helixtrans-68.2-44.3178.2-76.9-178-2300112.4L101 L166 Q167 K174L101-Q170 HydrophobicContact CB-CG 4.15Å; L101-Q170 HydrophobicContact CD1-CG 4.27Å; L166-Q170 HydrophobicContact CD1-CG 4.09Å; L166-Q170 HydrophobicContact CG-CG 4.44Å; L166-Q170 WeakPolarHBondContact O-CB 3.48Å; L166-Q170 VanDerWaalsContact O-CG 3.23Å; L166-Q170 WeakPolarHBondContact O-CG 3.28Å; L166-Q170 PolarHBondContact O-N 3.15Å; Q167-Q170 PolarHBondContact O-N 2.84Å; Q170-K174 WeakPolarHBondContact O-CB 3.37Å; Q170-K174 VanDerWaalsContact O-CG 3.23Å; Q170-K174 WeakPolarHBondContact O-CG 3Å; Q170-K174 PolarHBondContact O-N 3.18Å
171E88.6Confident82.7Confident100 Ų10054.2 Ų54.247%0.46730%0.301SS..Hα-helixtrans-65-47.1178.2-73.1179.9-168.600111Q167 K174 A175Q167-E171 HydrophobicContact CG-CG 4.37Å; Q167-E171 VanDerWaalsContact CG-OE1 3.31Å; Q167-E171 WeakPolarHBondContact CG-OE1 3.36Å; Q167-E171 PolarHBondContact NE2-OE1 2.97Å; Q167-E171 WeakPolarHBondContact O-CB 3.21Å; Q167-E171 WeakPolarHBondContact O-CG 3.5Å; Q167-E171 PolarHBondContact O-N 3.38Å; E171-K174 PolarHBondContact O-N 2.88Å; E171-A175 WeakPolarHBondContact O-CB 3.16Å; E171-A175 PolarHBondContact O-N 2.96Å
172G85Confident81.1Confident8 Ų850.8 Ų50.88%0.08228%0.284CS..Hα-helixtrans-61.7-45.1177.500000112.6E168 K174 A175 D176E168-G172 PolarHBondContact O-N 3.43Å; G172-K174 VanDerWaalsContact C-N 3.35Å; G172-K174 PolarHBondContact O-N 2.94Å; G172-A175 PolarHBondContact O-N 2.85Å; G172-D176 PolarHBondContact O-N 2.75Å
173S83.3Confident79.6Confident3 Ų349.9 Ų49.92%0.02127%0.27CS..Hα-helixtrans-64.3-37.4176.7-61.80000112.4F169 V180F169-S173 WeakPolarHBondContact O-CB 3.29Å; F169-S173 PolarHBondContact O-N 3.42Å; F169-S173 PolarHBondContact O-OG 2.92Å; S173-V180 WeakPolarHBondContact O-CG2 3.22Å
174K82.6Confident77.8Confident107 Ų10747.7 Ų47.747%0.46527%0.265SS..Hα-helixtrans-75-31.3176.6-72.9172.9-177.71780112.8D98 L101 Q170 E171 G172D98-K174 WeakPolarHBondContact OD1-CE 3.36Å; D98-K174 IonicContact OD1-NZ 3.76Å; D98-K174 PolarHBondContact OD1-NZ 2.83Å; D98-K174 IonicContact OD2-NZ 3.15Å; L101-K174 HydrophobicContact CD1-CG 4.29Å; Q170-K174 WeakPolarHBondContact O-CB 3.37Å; Q170-K174 VanDerWaalsContact O-CG 3.23Å; Q170-K174 WeakPolarHBondContact O-CG 3Å; Q170-K174 PolarHBondContact O-N 3.18Å; E171-K174 PolarHBondContact O-N 2.88Å; G172-K174 VanDerWaalsContact C-N 3.35Å; G172-K174 PolarHBondContact O-N 2.94Å
175A81.6Confident75.8Confident85 Ų8549.7 Ų49.770%0.70228%0.275SS*.Hα-helixtrans-75.3-33.2-178.600000112.4E171 G172E171-A175 WeakPolarHBondContact O-CB 3.16Å; E171-A175 PolarHBondContact O-N 2.96Å; G172-A175 PolarHBondContact O-N 2.85Å
176D72.8Confident73.5Confident36 Ų3651 Ų5119%0.19328%0.276CS..  trans-129.4107.1-179.3-164-30.9000112.1M155 G172 S178 I179 V180M155-D176 HydrophobicContact CE-CB 4.25Å; M155-D176 WeakPolarHBondContact CE-OD2 3.41Å; G172-D176 PolarHBondContact O-N 2.75Å; D176-S178 PolarHBondContact O-N 3.31Å; D176-S178 VanDerWaalsContact O-N 3.17Å; D176-S178 WeakPolarHBondContact OD1-CA 3.35Å; D176-S178 WeakPolarHBondContact OD1-CB 3.5Å; D176-S178 PolarHBondContact OD1-N 3.26Å; D176-S178 PolarHBondContact OD1-OG 3.26Å; D176-S178 PolarHBondContact OD2-OG 2.73Å; D176-I179 HydrophobicContact CB-CB 4.42Å; D176-I179 HydrophobicContact CB-CD1 3.94Å; D176-I179 HydrophobicContact CB-CG1 3.98Å; D176-I179 WeakPolarHBondContact O-CB 3.34Å; D176-I179 PolarHBondContact O-N 3.5Å; D176-I179 VanDerWaalsContact O-N 3.1Å; D176-V180 PolarHBondContact O-N 2.71Å
177P71.1Confident71.3Confident95 Ų9553.6 Ų53.662%0.61729%0.29SS*.Hα-helixtrans-59.3-23.7174.8-25.235.2000114.4I179 V180 Q181P177-I179 VanDerWaalsContact C-N 3.29Å; P177-I179 PolarHBondContact O-N 3.3Å; P177-V180 PolarHBondContact O-N 3.29Å; P177-Q181 WeakPolarHBondContact O-CB 3.22Å; P177-Q181 PolarHBondContact O-N 3.38Å
178S65.9Low68.8Low40 Ų4051 Ų5128%0.2830%0.297SS..Hα-helixtrans-68.1-31.5176.872.70000112.1D176 Q181 A182D176-S178 PolarHBondContact O-N 3.31Å; D176-S178 VanDerWaalsContact O-N 3.17Å; D176-S178 WeakPolarHBondContact OD1-CA 3.35Å; D176-S178 WeakPolarHBondContact OD1-CB 3.5Å; D176-S178 PolarHBondContact OD1-N 3.26Å; D176-S178 PolarHBondContact OD1-OG 3.26Å; D176-S178 PolarHBondContact OD2-OG 2.73Å; S178-Q181 PolarHBondContact O-N 3.07Å; S178-A182 VanDerWaalsContact O-CB 3.28Å; S178-A182 WeakPolarHBondContact O-CB 3.42Å; S178-A182 PolarHBondContact O-N 3.45Å
179I66.2Low66.3Low4 Ų453.5 Ų53.52%0.02131%0.311CS..Hα-helixtrans-65.8-49.4171.7-69.7-178.7000109.2I152 M155 M156 D176 P177 Q181 A182 L183I152-I179 HydrophobicContact CG2-CG2 4.48Å; M155-I179 HydrophobicContact CB-CD1 4.13Å; M156-I179 HydrophobicContact CE-CB 4.39Å; M156-I179 HydrophobicContact CE-CD1 4.09Å; M156-I179 HydrophobicContact CE-CG2 3.08Å; M156-I179 HydrophobicContact CG-CD1 4.06Å; D176-I179 HydrophobicContact CB-CB 4.42Å; D176-I179 HydrophobicContact CB-CD1 3.94Å; D176-I179 HydrophobicContact CB-CG1 3.98Å; D176-I179 WeakPolarHBondContact O-CB 3.34Å; D176-I179 PolarHBondContact O-N 3.5Å; D176-I179 VanDerWaalsContact O-N 3.1Å; P177-I179 VanDerWaalsContact C-N 3.29Å; P177-I179 PolarHBondContact O-N 3.3Å; I179-Q181 VanDerWaalsContact C-N 3.25Å; I179-Q181 PolarHBondContact O-N 2.67Å; I179-A182 CarbonylContact O-C 3.35Å; I179-A182 WeakPolarHBondContact O-CA 3.38Å; I179-A182 WeakPolarHBondContact O-CB 3.35Å; I179-A182 PolarHBondContact O-N 3.33Å; I179-L183 HydrophobicContact CG2-CD1 3.72Å; I179-L183 HydrophobicContact CG2-CG 4.27Å; I179-L183 WeakPolarHBondContact O-CG 3.36Å; I179-L183 PolarHBondContact O-N 3.41Å
180V65.6Low63.6Low38 Ų3860.6 Ų60.623%0.2335%0.354CS..Hα-helixtrans-58.3-43.6176174.90000109.8S173 D176 P177 A182 L183 S184S173-V180 WeakPolarHBondContact O-CG2 3.22Å; D176-V180 PolarHBondContact O-N 2.71Å; P177-V180 PolarHBondContact O-N 3.29Å; V180-A182 VanDerWaalsContact C-N 3.28Å; V180-A182 PolarHBondContact O-N 2.66Å; V180-L183 CarbonylContact O-C 3.52Å; V180-L183 PolarHBondContact O-N 3.04Å; V180-S184 WeakPolarHBondContact O-CA 3.41Å; V180-S184 WeakPolarHBondContact O-CB 3.41Å; V180-S184 PolarHBondContact O-N 3.26Å; V180-S184 PolarHBondContact O-OG 2.97Å; V180-S184 VanDerWaalsContact O-OG 3.04Å
181Q64.3Low62.4Low146 Ų14661.9 Ų61.968%0.68236%0.364SS*.Hα-helixtrans-64.3-32.6177.3-164.2165.115.500113P177 S178 I179 S184 L185P177-Q181 WeakPolarHBondContact O-CB 3.22Å; P177-Q181 PolarHBondContact O-N 3.38Å; S178-Q181 PolarHBondContact O-N 3.07Å; I179-Q181 VanDerWaalsContact C-N 3.25Å; I179-Q181 PolarHBondContact O-N 2.67Å; Q181-S184 CarbonylContact O-C 3.59Å; Q181-L185 PolarHBondContact O-N 2.85Å
182A57.7Low61Low10 Ų1059.9 Ų59.98%0.08336%0.358CS..Hα-helixtrans-71.4-36.5173.600000113.3R148 I152 S178 I179 V180R148-A182 VanDerWaalsContact NH2-CB 3.28Å; I152-A182 HydrophobicContact CD1-CB 4.06Å; S178-A182 VanDerWaalsContact O-CB 3.28Å; S178-A182 WeakPolarHBondContact O-CB 3.42Å; S178-A182 PolarHBondContact O-N 3.45Å; I179-A182 CarbonylContact O-C 3.35Å; I179-A182 WeakPolarHBondContact O-CA 3.38Å; I179-A182 WeakPolarHBondContact O-CB 3.35Å; I179-A182 PolarHBondContact O-N 3.33Å; V180-A182 VanDerWaalsContact C-N 3.28Å; V180-A182 PolarHBondContact O-N 2.66Å
183L55.8Low59.7Low22 Ų2262.8 Ų62.812%0.11537%0.374CS..Hα-helixtrans-77.2-30.9174.3-59.5168.1000111.4Y108 M156 F169 I179 V180 L185Y108-L183 HydrophobicContact CD2-CD2 4.26Å; Y108-L183 HydrophobicContact CE1-CD2 3.97Å; Y108-L183 HydrophobicContact CE2-CD2 3.45Å; Y108-L183 VanDerWaalsContact CE2-CD2 3.45Å; Y108-L183 VanDerWaalsContact OH-CD2 3.23Å; Y108-L183 WeakPolarHBondContact OH-CD2 3.45Å; M156-L183 HydrophobicContact CE-CD1 4.32Å; F169-L183 HydrophobicContact CE1-CD1 4.44Å; F169-L183 HydrophobicContact CE2-CD1 3.72Å; F169-L183 HydrophobicContact CE2-CD2 4.05Å; F169-L183 HydrophobicContact CZ-CD1 3.53Å; F169-L183 HydrophobicContact CZ-CD2 4.24Å; F169-L183 HydrophobicContact CZ-CG 4.49Å; I179-L183 HydrophobicContact CG2-CD1 3.72Å; I179-L183 HydrophobicContact CG2-CG 4.27Å; I179-L183 WeakPolarHBondContact O-CG 3.36Å; I179-L183 PolarHBondContact O-N 3.41Å; V180-L183 CarbonylContact O-C 3.52Å; V180-L183 PolarHBondContact O-N 3.04Å; L183-L185 VanDerWaalsContact C-N 3.31Å; L183-L185 PolarHBondContact O-N 2.89Å
184S55.5Low58.3Low32 Ų3266.3 Ų66.322%0.22439%0.394CS..THydrogen-bonded Turntrans-89.526.2-179.6-72.20000112.7V180 Q181 Y186 D187V180-S184 WeakPolarHBondContact O-CA 3.41Å; V180-S184 WeakPolarHBondContact O-CB 3.41Å; V180-S184 PolarHBondContact O-N 3.26Å; V180-S184 PolarHBondContact O-OG 2.97Å; V180-S184 VanDerWaalsContact O-OG 3.04Å; Q181-S184 CarbonylContact O-C 3.59Å; S184-Y186 PolarHBondContact O-N 2.97Å; S184-D187 VanDerWaalsContact CB-OD2 3.23Å; S184-D187 WeakPolarHBondContact CB-OD2 3.46Å; S184-D187 PolarHBondContact O-N 2.91Å; S184-D187 PolarHBondContact OG-OD2 3.48Å
185L50.5Low56.7Low42 Ų4263.8 Ų63.822%0.2239%0.39CS..THydrogen-bonded Turntrans-51.8-15162.6-105.5141.3000112.2I128 V132 R148 Q181 L183 L189I128-L185 HydrophobicContact CG2-CB 3.94Å; I128-L185 HydrophobicContact CG2-CD1 4.07Å; I128-L185 HydrophobicContact CG2-CD2 4.21Å; I128-L185 HydrophobicContact CG2-CG 4.3Å; V132-L185 HydrophobicContact CG2-CD2 4.4Å; R148-L185 VanDerWaalsContact NH1-CD1 3.35Å; Q181-L185 PolarHBondContact O-N 2.85Å; L183-L185 VanDerWaalsContact C-N 3.31Å; L183-L185 PolarHBondContact O-N 2.89Å; L185-L189 WeakPolarHBondContact O-CD1 3.39Å
186Y47.5Very low55.1Low65 Ų6562.3 Ų62.326%0.25537%0.369SS..THydrogen-bonded Turntrans-76.3-27.2169.1-168.7-102.7000116.6S184 G188 L189 V190S184-Y186 PolarHBondContact O-N 2.97Å; Y186-G188 PolarHBondContact O-N 3.19Å; Y186-G188 VanDerWaalsContact O-N 3.07Å; Y186-L189 PolarHBondContact O-N 3.03Å; Y186-V190 HydrophobicContact CD1-CG2 4.23Å; Y186-V190 HydrophobicContact CE1-CG2 3.42Å; Y186-V190 VanDerWaalsContact CE1-CG2 3.42Å; Y186-V190 HydrophobicContact CE2-CG2 4.27Å; Y186-V190 VanDerWaalsContact CZ-CG2 3.44Å; Y186-V190 WeakPolarHBondContact OH-CG2 3.16Å
187D44.2Very low53.8Low113 Ų11364.2 Ų64.260%0.60438%0.382SS*.THydrogen-bonded Turntrans-66.3-13.6-174.9-88.4-23000113.2S184S184-D187 VanDerWaalsContact CB-OD2 3.23Å; S184-D187 WeakPolarHBondContact CB-OD2 3.46Å; S184-D187 PolarHBondContact O-N 2.91Å; S184-D187 PolarHBondContact OG-OD2 3.48Å
188G37.7Very low52.5Low71 Ų7161.8 Ų61.873%0.73236%0.363SS*.THydrogen-bonded Turntrans-91.31.5172.300000114.9Y186Y186-G188 PolarHBondContact O-N 3.19Å; Y186-G188 VanDerWaalsContact O-N 3.07Å
189L38.8Very low51.4Low72 Ų7263.7 Ų63.738%0.37737%0.37SS..  trans-121.56.5-167-65.3166.6000114.1F56 M131 L185 Y186F56-L189 HydrophobicContact CE1-CD1 3.44Å; F56-L189 VanDerWaalsContact CE1-CD1 3.44Å; F56-L189 HydrophobicContact CE1-CD2 3.34Å; F56-L189 HydrophobicContact CE1-CG 3.89Å; F56-L189 HydrophobicContact CZ-CB 3.98Å; F56-L189 HydrophobicContact CZ-CD1 3.45Å; F56-L189 VanDerWaalsContact CZ-CD1 3.45Å; F56-L189 HydrophobicContact CZ-CD2 3.57Å; F56-L189 HydrophobicContact CZ-CG 3.8Å; M131-L189 HydrophobicContact CE-CD1 4.28Å; L185-L189 WeakPolarHBondContact O-CD1 3.39Å; Y186-L189 PolarHBondContact O-N 3.03Å
190V32.9Very low50Low149 Ų14969.1 Ų69.190%0.90340%0.402SS*.  trans-124.70170.9-1740000110.5Y186Y186-V190 HydrophobicContact CD1-CG2 4.23Å; Y186-V190 HydrophobicContact CE1-CG2 3.42Å; Y186-V190 VanDerWaalsContact CE1-CG2 3.42Å; Y186-V190 HydrophobicContact CE2-CG2 4.27Å; Y186-V190 VanDerWaalsContact CZ-CG2 3.44Å; Y186-V190 WeakPolarHBondContact OH-CG2 3.16Å

Retrieved 190 of 190 residues in 2020.8 ms (Link to these results)

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