A0A087Y765_POEFO Loading...

Cellular retinoic acid-binding protein 1

Cytosolic CRABPs may regulate the access of retinoic acid to the nuclear retinoic acid receptors.

AlphaFold DB , UniProt , Accession A0A087Y765, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 138 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
1M57.6Low92.4Very high217 Ų21766.3 Ų66.3100%1.06937%0.367SS*.  0137.20-66.3-170.8-75.300108.1
2S82.5Confident92.9Very high108 Ų10862.2 Ų62.276%0.75534%0.344SS*.PPolyproline II helixtrans-67.6146.6174.9510000110.3
3K92Very high93.3Very high82 Ų8262.8 Ų62.836%0.35735%0.35SS..PPolyproline II helixtrans-62145.5175.7-65.5-57.7-169.4-176.60111.3V48 W92 G94K3-V48 HydrophobicContact CB-CG1 4.45Å; K3-W92 HydrophobicContact CB-CH2 4.04Å; K3-W92 HydrophobicContact CB-CZ2 3.78Å; K3-W92 HydrophobicContact CD-CD2 3.85Å; K3-W92 HydrophobicContact CD-CE3 4.09Å; K3-W92 HydrophobicContact CD-CG 4.15Å; K3-W92 HydrophobicContact CD-CZ2 4.48Å; K3-W92 HydrophobicContact CG-CD2 4.28Å; K3-W92 HydrophobicContact CG-CZ2 4.18Å; K3-G94 PolarHBondContact NZ-O 3.33Å
4P95.8Very high93.7Very high31 Ų3165.9 Ų65.920%0.20136%0.36CS..PPolyproline II helixtrans-61.8143177.8-20.430.4000112.7Y6 H46 W92 D95 L114P4-Y6 HydrophobicContact CB-CD2 4.39Å; P4-Y6 HydrophobicContact CB-CE2 3.97Å; P4-H46 PolarHBondContact O-CE1 3.01Å; P4-W92 HydrophobicContact CG-CZ3 4.42Å; P4-D95 HydrophobicContact CG-CB 3.97Å; P4-L114 HydrophobicContact CB-CD1 4Å
5N96.9Very high94Very high83 Ų8365.5 Ų65.544%0.44436%0.355SS..  trans-93.2112.6171.6-172.5-7.5000110.2T7 V48N5-T7 VanDerWaalsContact C-N 3.3Å; N5-T7 PolarHBondContact O-N 3.21Å; N5-T7 WeakPolarHBondContact OD1-CB 3.47Å; N5-T7 PolarHBondContact OD1-N 2.86Å; N5-T7 PolarHBondContact OD1-OG1 2.75Å; N5-V48 HydrophobicContact CB-CG2 3.95Å
6Y98.1Very high94.2Very high1 Ų168 Ų680%0.00437%0.368CS..  trans-81.9-3.6179.8-75.6-104.3000113.8P4 G8 Y10 W92 D95 L97 H112 W113 L114 L119P4-Y6 HydrophobicContact CB-CD2 4.39Å; P4-Y6 HydrophobicContact CB-CE2 3.97Å; Y6-G8 PolarHBondContact O-N 2.9Å; Y6-Y10 VanDerWaalsContact O-CE2 3.28Å; Y6-Y10 WeakPolarHBondContact O-CE2 3.21Å; Y6-Y10 PolarHBondContact O-OH 2.83Å; Y6-W92 HydrophobicContact CD2-CH2 4.07Å; Y6-W92 AromaticContact CE2-CH2 3.57Å; Y6-W92 HydrophobicContact CE2-CH2 3.57Å; Y6-W92 AromaticContact CE2-CZ3 3.78Å; Y6-W92 HydrophobicContact CE2-CZ3 3.78Å; Y6-D95 PolarHBondContact OH-O 3.38Å; Y6-L97 HydrophobicContact CD1-CD1 4.27Å; Y6-L97 HydrophobicContact CD2-CD1 3.87Å; Y6-L97 HydrophobicContact CE1-CD1 4.1Å; Y6-L97 HydrophobicContact CE2-CD1 3.71Å; Y6-L97 HydrophobicContact CE2-CG 3.98Å; Y6-L97 HydrophobicContact CG-CD1 4.14Å; Y6-H112 HydrophobicContact CE1-CB 4Å; Y6-H112 PolarHBondContact OH-O 3.37Å; Y6-W113 WeakPolarHBondContact OH-CA 3.23Å; Y6-L114 HydrophobicContact CD1-CD1 4.37Å; Y6-L114 HydrophobicContact CD1-CD2 4.11Å; Y6-L114 HydrophobicContact CD1-CG 4.09Å; Y6-L114 HydrophobicContact CD2-CD1 4.41Å; Y6-L114 HydrophobicContact CE1-CD1 4.48Å; Y6-L114 HydrophobicContact CE1-CD2 4.22Å; Y6-L114 HydrophobicContact CE1-CG 3.9Å; Y6-L114 HydrophobicContact CE2-CD1 4.49Å; Y6-L114 HydrophobicContact CG-CD1 4.35Å; Y6-L119 HydrophobicContact CD1-CD1 3.66Å; Y6-L119 HydrophobicContact CE1-CD1 3.74Å
7T98.4Very high94.5Very high51 Ų5167.6 Ų67.631%0.31337%0.366SS..  trans-56.8130.5-176.7-60.40000111.9N5 Y10 I44 H46 K136N5-T7 VanDerWaalsContact C-N 3.3Å; N5-T7 PolarHBondContact O-N 3.21Å; N5-T7 WeakPolarHBondContact OD1-CB 3.47Å; N5-T7 PolarHBondContact OD1-N 2.86Å; N5-T7 PolarHBondContact OD1-OG1 2.75Å; T7-Y10 PolarHBondContact O-OH 3.18Å; T7-I44 VanDerWaalsContact CA-O 3.3Å; T7-I44 WeakPolarHBondContact CA-O 3.38Å; T7-H46 PolarHBondContact OG1-N 2.86Å; T7-H46 PolarHBondContact OG1-O 3Å; T7-K136 PolarHBondContact O-NZ 2.82Å
8G98.4Very high94.7Very high17 Ų1764.9 Ų64.918%0.17535%0.351CS..EExtended strand (participates in β ladder)trans153.2176.417700000113.8Y6 Y10 I44Y6-G8 PolarHBondContact O-N 2.9Å; G8-Y10 VanDerWaalsContact C-CE2 3.5Å; G8-Y10 WeakPolarHBondContact O-CD2 3.31Å; G8-Y10 WeakPolarHBondContact O-CE2 3.26Å; G8-I44 PolarHBondContact N-O 2.85Å; G8-I44 PolarHBondContact O-N 2.81Å
9T98.8Very high94.9Very high51 Ų5164.9 Ų64.931%0.31335%0.349SS..EExtended strand (participates in β ladder)trans-103.9133.6171.2-58.40000108.7T41 K42 E43 K136 A137T9-T41 HydrophobicContact CG2-CG2 3.59Å; T9-K42 CarbonylContact C-O 3.58Å; T9-K42 WeakPolarHBondContact CA-O 3.31Å; T9-E43 HydrophobicContact CG2-CG 4.33Å; T9-K136 CarbonylContact O-C 3.51Å; T9-K136 WeakPolarHBondContact O-CA 3.46Å; T9-A137 HydrophobicContact CG2-CB 4.33Å; T9-A137 PolarHBondContact O-N 2.85Å
10Y98.8Very high95Very high2 Ų264.9 Ų64.91%0.00835%0.35CS..EExtended strand (participates in β ladder)trans-133.8129.4-175.5-53.1-99.7000110.9Y6 T7 G8 T41 K42 I44 L114 L119 Q135 K136Y6-Y10 VanDerWaalsContact O-CE2 3.28Å; Y6-Y10 WeakPolarHBondContact O-CE2 3.21Å; Y6-Y10 PolarHBondContact O-OH 2.83Å; T7-Y10 PolarHBondContact O-OH 3.18Å; G8-Y10 VanDerWaalsContact C-CE2 3.5Å; G8-Y10 WeakPolarHBondContact O-CD2 3.31Å; G8-Y10 WeakPolarHBondContact O-CE2 3.26Å; Y10-T41 CarbonylContact O-C 3.59Å; Y10-T41 VanDerWaalsContact O-CA 3.31Å; Y10-T41 WeakPolarHBondContact O-CA 3.48Å; Y10-K42 PolarHBondContact N-O 2.91Å; Y10-K42 PolarHBondContact O-N 2.84Å; Y10-I44 HydrophobicContact CD2-CD1 4.26Å; Y10-I44 HydrophobicContact CD2-CG1 4.47Å; Y10-I44 HydrophobicContact CE2-CB 4.43Å; Y10-I44 HydrophobicContact CE2-CD1 4.06Å; Y10-I44 HydrophobicContact CE2-CG1 4.34Å; Y10-L114 HydrophobicContact CE1-CD2 4.43Å; Y10-L119 HydrophobicContact CD1-CB 3.5Å; Y10-L119 HydrophobicContact CD1-CD2 4.28Å; Y10-L119 HydrophobicContact CD2-CD2 3.95Å; Y10-L119 HydrophobicContact CE1-CB 3.77Å; Y10-L119 HydrophobicContact CE2-CD2 4.34Å; Y10-L119 HydrophobicContact CG-CB 3.99Å; Y10-L119 HydrophobicContact CG-CD2 3.93Å; Y10-Q135 CarbonylContact C-O 3.56Å; Y10-Q135 VanDerWaalsContact CA-O 3.28Å; Y10-Q135 WeakPolarHBondContact CA-O 3.35Å; Y10-K136 HydrophobicContact CD1-CB 3.68Å; Y10-K136 HydrophobicContact CD1-CG 4.02Å; Y10-K136 HydrophobicContact CE1-CB 3.64Å; Y10-K136 HydrophobicContact CE1-CD 3.89Å; Y10-K136 HydrophobicContact CE1-CG 3.67Å
11H98.6Very high95.2Very high86 Ų8662.5 Ų62.540%0.39834%0.337SS..EExtended strand (participates in β ladder)trans-103.6133.8-179.6-58.1-61.7000111.1V13 T41 F134 Q135H11-V13 PolarHBondContact O-N 2.96Å; H11-T41 PolarHBondContact ND1-OG1 2.85Å; H11-F134 CarbonylContact O-C 3.6Å; H11-F134 WeakPolarHBondContact O-CA 3.5Å; H11-Q135 PolarHBondContact N-O 3.42Å; H11-Q135 PolarHBondContact O-N 3.43Å
12L98.6Very high97.1Very high17 Ų1752.4 Ų52.49%0.08929%0.287CS..EExtended strand (participates in β ladder)trans-60127.8179.2-174.975.7000110.8E14 Q15 K39 P40 Q132 F134L12-E14 VanDerWaalsContact CD1-O 3.26Å; L12-E14 WeakPolarHBondContact CD1-O 3.17Å; L12-Q15 HydrophobicContact CD2-CB 4.19Å; L12-K39 HydrophobicContact CD2-CD 4.23Å; L12-P40 HydrophobicContact CB-CG 4.18Å; L12-P40 WeakPolarHBondContact CB-O 3.35Å; L12-P40 HydrophobicContact CD2-CG 4.01Å; L12-P40 HydrophobicContact CG-CG 4.49Å; L12-P40 PolarHBondContact N-O 3.32Å; L12-P40 VanDerWaalsContact N-O 3.13Å; L12-Q132 HydrophobicContact CD1-CB 3.71Å; L12-Q132 HydrophobicContact CD1-CG 3.81Å; L12-F134 HydrophobicContact CB-CD1 3.9Å; L12-F134 HydrophobicContact CB-CE1 3.8Å; L12-F134 HydrophobicContact CD1-CD1 4.13Å; L12-F134 HydrophobicContact CD1-CD2 4.42Å; L12-F134 HydrophobicContact CD1-CE1 3.72Å; L12-F134 HydrophobicContact CD1-CE2 4.05Å; L12-F134 HydrophobicContact CD1-CG 4.43Å; L12-F134 HydrophobicContact CD1-CZ 3.66Å; L12-F134 HydrophobicContact CG-CE1 4.39Å
13V98.3Very high97.9Very high71 Ų7149.7 Ų49.743%0.4327%0.268SS..EExtended strand (participates in β ladder)trans-116.7-32.2175.5-67.70000112.8H11 V133 Q135H11-V13 PolarHBondContact O-N 2.96Å; V13-V133 HydrophobicContact CG2-CB 4.18Å; V13-V133 HydrophobicContact CG2-CG1 4.07Å; V13-V133 VanDerWaalsContact CG2-O 3.23Å; V13-V133 WeakPolarHBondContact CG2-O 3.28Å; V13-V133 PolarHBondContact N-O 2.84Å; V13-Q135 HydrophobicContact CG1-CB 3.6Å; V13-Q135 HydrophobicContact CG2-CB 4.41Å
14E98.3Very high98.2Very high105 Ų10546.6 Ų46.649%0.49126%0.258SS..EExtended strand (participates in β ladder)trans-137.5144.4179.8-60.9167.1-152.800110.2L12 K118 Q132 V133L12-E14 VanDerWaalsContact CD1-O 3.26Å; L12-E14 WeakPolarHBondContact CD1-O 3.17Å; E14-K118 IonicContact OE1-NZ 3.52Å; E14-Q132 CarbonylContact O-C 3.58Å; E14-Q132 VanDerWaalsContact O-CA 3.31Å; E14-Q132 WeakPolarHBondContact O-CA 3.43Å; E14-V133 HydrophobicContact CB-CB 4.01Å; E14-V133 HydrophobicContact CB-CG2 4.16Å; E14-V133 PolarHBondContact N-O 3.01Å; E14-V133 PolarHBondContact O-N 3.39Å
15Q98.2Very high98.3Very high60 Ų6045.1 Ų45.128%0.2825%0.248SC..EExtended strand (participates in β ladder)trans-147.9132.8176.7176.7175.9-85.200109.5L12 M18 C36 K131 Q132L12-Q15 HydrophobicContact CD2-CB 4.19Å; Q15-M18 HydrophobicContact CG-CB 3.68Å; Q15-M18 HydrophobicContact CG-CG 4.3Å; Q15-C36 PolarHBondContact NE2-O 2.8Å; Q15-K131 CarbonylContact C-O 3.52Å; Q15-K131 WeakPolarHBondContact CA-O 3.28Å; Q15-Q132 HydrophobicContact CB-CG 4.22Å; Q15-Q132 HydrophobicContact CG-CG 3.99Å
16D98.4Very high98.3Very high106 Ų10645.7 Ų45.757%0.56725%0.251SS*.EExtended strand (participates in β ladder)trans-133.6143.4-178.6-178.339.9000111.5M18 A130 K131D16-M18 PolarHBondContact O-N 3.42Å; D16-A130 WeakPolarHBondContact O-CA 3.47Å; D16-A130 WeakPolarHBondContact O-CB 3.43Å; D16-K131 HydrophobicContact CB-CB 4.49Å; D16-K131 PolarHBondContact N-O 3.23Å; D16-K131 PolarHBondContact O-N 2.82Å
17N98.4Very high98.3Very high62 Ų6246.2 Ų46.233%0.33225%0.254SS..SBendtrans52.820.1176.5-156.733.8000116.9E19 T20 Y21 V129N17-E19 VanDerWaalsContact C-N 3.34Å; N17-E19 PolarHBondContact O-N 2.85Å; N17-T20 PolarHBondContact O-N 3.13Å; N17-T20 WeakPolarHBondContact OD1-CB 3.48Å; N17-T20 PolarHBondContact OD1-OG1 2.93Å; N17-Y21 PolarHBondContact O-N 3.3Å; N17-V129 WeakPolarHBondContact CB-O 3.16Å; N17-V129 PolarHBondContact ND2-O 2.86Å
18M98.2Very high98.2Very high18 Ų1848.4 Ų48.49%0.08926%0.264CS..Hα-helixtrans-63.8-36.3-174.2-169.959.7-168.800113.3Q15 D16 T20 Y21 L22 M123 A130Q15-M18 HydrophobicContact CG-CB 3.68Å; Q15-M18 HydrophobicContact CG-CG 4.3Å; D16-M18 PolarHBondContact O-N 3.42Å; M18-T20 PolarHBondContact O-N 3.03Å; M18-Y21 HydrophobicContact CE-CD1 3.89Å; M18-Y21 HydrophobicContact CE-CE1 4.23Å; M18-Y21 PolarHBondContact O-N 2.92Å; M18-Y21 HydrophobicContact SD-CD1 4Å; M18-L22 HydrophobicContact CE-CD1 4.08Å; M18-L22 HydrophobicContact CE-CD2 3.59Å; M18-L22 HydrophobicContact CE-CG 3.72Å; M18-L22 HydrophobicContact CG-CD1 4.05Å; M18-L22 HydrophobicContact CG-CG 4.33Å; M18-L22 VanDerWaalsContact O-CG 3.23Å; M18-L22 WeakPolarHBondContact O-CG 3.43Å; M18-L22 PolarHBondContact O-N 3.17Å; M18-M123 HydrophobicContact CE-CE 4.1Å; M18-M123 HydrophobicContact CE-SD 4.43Å; M18-M123 HydrophobicContact SD-CE 3.45Å; M18-M123 WeakPolarHBondContact SD-CE 3.31Å; M18-M123 HydrophobicContact SD-SD 4.48Å; M18-A130 HydrophobicContact SD-CB 4.23Å
19E97.9Very high98Very high66 Ų6653.6 Ų53.631%0.30828%0.282SS..Hα-helixtrans-63.3-43.3179.3-177166.6-178.200112.1N17 L22 S23 K33N17-E19 VanDerWaalsContact C-N 3.34Å; N17-E19 PolarHBondContact O-N 2.85Å; E19-L22 PolarHBondContact O-N 2.77Å; E19-S23 WeakPolarHBondContact O-CB 3.47Å; E19-S23 PolarHBondContact O-N 2.7Å; E19-K33 WeakPolarHBondContact OE1-CE 3.36Å; E19-K33 IonicContact OE1-NZ 3.83Å; E19-K33 PolarHBondContact OE1-NZ 2.79Å; E19-K33 IonicContact OE2-NZ 3.58Å; E19-K33 PolarHBondContact OE2-NZ 2.87Å
20T98.4Very high97.9Very high63 Ų6354 Ų5439%0.38729%0.291SS..Hα-helixtrans-63.8-44.1177.6-48.20000110.9N17 M18 S23 A24 I128N17-T20 PolarHBondContact O-N 3.13Å; N17-T20 WeakPolarHBondContact OD1-CB 3.48Å; N17-T20 PolarHBondContact OD1-OG1 2.93Å; M18-T20 PolarHBondContact O-N 3.03Å; T20-S23 WeakPolarHBondContact O-CB 3.33Å; T20-S23 PolarHBondContact O-N 3Å; T20-A24 PolarHBondContact O-N 3.16Å; T20-I128 HydrophobicContact CG2-CD1 4.24Å; T20-I128 HydrophobicContact CG2-CG2 3.8Å
21Y98.7Very high97.7Very high15 Ų1556.1 Ų56.16%0.05930%0.302CS..Hα-helixtrans-59.7-47.4175.7171.3-93.8000112N17 M18 S23 A24 L25 M123 V125 A130N17-Y21 PolarHBondContact O-N 3.3Å; M18-Y21 HydrophobicContact CE-CD1 3.89Å; M18-Y21 HydrophobicContact CE-CE1 4.23Å; M18-Y21 PolarHBondContact O-N 2.92Å; M18-Y21 HydrophobicContact SD-CD1 4Å; Y21-S23 VanDerWaalsContact C-N 3.28Å; Y21-S23 PolarHBondContact O-N 3.04Å; Y21-A24 PolarHBondContact O-N 2.82Å; Y21-L25 HydrophobicContact CD1-CD1 4.21Å; Y21-L25 HydrophobicContact CE1-CD1 3.53Å; Y21-L25 HydrophobicContact CE1-CG 4.46Å; Y21-L25 PolarHBondContact O-N 2.77Å; Y21-M123 HydrophobicContact CD2-CB 4.08Å; Y21-M123 HydrophobicContact CE1-CB 4.25Å; Y21-M123 HydrophobicContact CE1-SD 4.21Å; Y21-M123 HydrophobicContact CE2-CB 3.65Å; Y21-V125 HydrophobicContact CD2-CB 4.44Å; Y21-V125 HydrophobicContact CD2-CG1 3.57Å; Y21-V125 HydrophobicContact CE2-CB 3.98Å; Y21-V125 HydrophobicContact CE2-CG1 3.53Å; Y21-V125 HydrophobicContact CG-CG1 4.45Å; Y21-A130 HydrophobicContact CD2-CB 4.4Å; Y21-A130 HydrophobicContact CG-CB 3.94Å
22L98.3Very high97.7Very high5 Ų553.9 Ų53.93%0.02629%0.29CS..Hα-helixtrans-63.9-34.5176.7-66.4168.6000112.1M18 E19 A24 L25 I27 R32 V35M18-L22 HydrophobicContact CE-CD1 4.08Å; M18-L22 HydrophobicContact CE-CD2 3.59Å; M18-L22 HydrophobicContact CE-CG 3.72Å; M18-L22 HydrophobicContact CG-CD1 4.05Å; M18-L22 HydrophobicContact CG-CG 4.33Å; M18-L22 VanDerWaalsContact O-CG 3.23Å; M18-L22 WeakPolarHBondContact O-CG 3.43Å; M18-L22 PolarHBondContact O-N 3.17Å; E19-L22 PolarHBondContact O-N 2.77Å; L22-A24 VanDerWaalsContact C-N 3.35Å; L22-L25 PolarHBondContact O-N 2.85Å; L22-I27 HydrophobicContact CB-CB 4.41Å; L22-I27 HydrophobicContact CB-CD1 4.24Å; L22-I27 HydrophobicContact CD2-CD1 3.42Å; L22-I27 VanDerWaalsContact CD2-CD1 3.42Å; L22-I27 HydrophobicContact CG-CD1 4.44Å; L22-I27 WeakPolarHBondContact O-CB 3.44Å; L22-I27 PolarHBondContact O-N 2.79Å; L22-R32 HydrophobicContact CB-CB 4.37Å; L22-R32 HydrophobicContact CB-CG 3.73Å; L22-R32 HydrophobicContact CD1-CB 4.27Å; L22-R32 HydrophobicContact CD1-CG 4.42Å; L22-V35 HydrophobicContact CD1-CB 3.85Å; L22-V35 HydrophobicContact CD1-CG1 3.64Å; L22-V35 HydrophobicContact CD2-CG1 4.28Å
23S98.3Very high97.5Very high52 Ų5257 Ų5736%0.36430%0.303SS..Hα-helixtrans-65.6-38.6175.5-165.50000111.9E19 T20 Y21 L25 D26 R32E19-S23 WeakPolarHBondContact O-CB 3.47Å; E19-S23 PolarHBondContact O-N 2.7Å; T20-S23 WeakPolarHBondContact O-CB 3.33Å; T20-S23 PolarHBondContact O-N 3Å; Y21-S23 VanDerWaalsContact C-N 3.28Å; Y21-S23 PolarHBondContact O-N 3.04Å; S23-L25 PolarHBondContact O-N 2.85Å; S23-D26 PolarHBondContact O-N 2.88Å; S23-R32 VanDerWaalsContact N-CD 3.31Å
24A98.3Very high97.4Very high16 Ų1657.2 Ų57.213%0.13230%0.301CS..Hα-helixtrans-66.5-22.2176.300000113.1T20 Y21 L22 D26 K105 V125 I128T20-A24 PolarHBondContact O-N 3.16Å; Y21-A24 PolarHBondContact O-N 2.82Å; L22-A24 VanDerWaalsContact C-N 3.35Å; A24-D26 VanDerWaalsContact C-N 3.28Å; A24-K105 WeakPolarHBondContact O-CE 3.24Å; A24-K105 PolarHBondContact O-NZ 3.12Å; A24-V125 HydrophobicContact CB-CG1 3.72Å; A24-I128 HydrophobicContact CB-CG1 4.18Å
25L98.3Very high97.3Very high1 Ų154 Ų541%0.00529%0.288CS..THydrogen-bonded Turntrans-83.64.6170.4-65.7176.3000113.9Y21 L22 S23 I27 R84 K105 V125Y21-L25 HydrophobicContact CD1-CD1 4.21Å; Y21-L25 HydrophobicContact CE1-CD1 3.53Å; Y21-L25 HydrophobicContact CE1-CG 4.46Å; Y21-L25 PolarHBondContact O-N 2.77Å; L22-L25 PolarHBondContact O-N 2.85Å; S23-L25 PolarHBondContact O-N 2.85Å; L25-I27 HydrophobicContact CB-CD1 4.13Å; L25-I27 HydrophobicContact CB-CG1 4.14Å; L25-I27 HydrophobicContact CD1-CD1 4.28Å; L25-I27 PolarHBondContact O-N 2.83Å; L25-R84 PolarHBondContact O-NH1 3.11Å; L25-K105 HydrophobicContact CD2-CG 4.43Å; L25-V125 HydrophobicContact CD2-CB 4.26Å; L25-V125 HydrophobicContact CD2-CG1 4.16Å; L25-V125 HydrophobicContact CD2-CG2 3.82Å; L25-V125 HydrophobicContact CG-CG1 4.22Å
26D97.5Very high97.2Very high95 Ų9552.7 Ų52.751%0.50829%0.285SS..THydrogen-bonded Turntrans61.421.6-175.5-40.3-49.8000114.6S23 A24 N28 R84 K105S23-D26 PolarHBondContact O-N 2.88Å; A24-D26 VanDerWaalsContact C-N 3.28Å; D26-N28 PolarHBondContact O-N 3.43Å; D26-R84 IonicContact OD2-CZ 3.79Å; D26-R84 IonicContact OD2-NH2 2.83Å; D26-R84 PolarHBondContact OD2-NH2 3.46Å; D26-K105 IonicContact OD1-NZ 2.73Å; D26-K105 PolarHBondContact OD1-NZ 2.99Å; D26-K105 WeakPolarHBondContact OD2-CE 3.28Å; D26-K105 IonicContact OD2-NZ 2.89Å; D26-K105 PolarHBondContact OD2-NZ 3.23Å
27I96.9Very high97.1Very high12 Ų1254.4 Ų54.46%0.06229%0.293CS..  trans-67.7129.8175.4-66.9170.7000108.5L22 L25 L31 R32 D82L22-I27 HydrophobicContact CB-CB 4.41Å; L22-I27 HydrophobicContact CB-CD1 4.24Å; L22-I27 HydrophobicContact CD2-CD1 3.42Å; L22-I27 VanDerWaalsContact CD2-CD1 3.42Å; L22-I27 HydrophobicContact CG-CD1 4.44Å; L22-I27 WeakPolarHBondContact O-CB 3.44Å; L22-I27 PolarHBondContact O-N 2.79Å; L25-I27 HydrophobicContact CB-CD1 4.13Å; L25-I27 HydrophobicContact CB-CG1 4.14Å; L25-I27 HydrophobicContact CD1-CD1 4.28Å; L25-I27 PolarHBondContact O-N 2.83Å; I27-L31 HydrophobicContact CG2-CB 3.94Å; I27-L31 HydrophobicContact CG2-CD2 3.83Å; I27-L31 HydrophobicContact CG2-CG 3.78Å; I27-R32 HydrophobicContact CB-CG 3.99Å; I27-R32 HydrophobicContact CG2-CG 3.69Å; I27-R32 VanDerWaalsContact O-CD 3.29Å; I27-R32 WeakPolarHBondContact O-CD 3.43Å; I27-R32 VanDerWaalsContact O-CG 3.31Å; I27-R32 WeakPolarHBondContact O-CG 3.15Å; I27-R32 PolarHBondContact O-NH1 3.48Å; I27-D82 HydrophobicContact CD1-CB 4.39Å; I27-D82 HydrophobicContact CG1-CB 4.23Å
28N96.4Very high97Very high96 Ų9652.5 Ų52.551%0.51328%0.283SS..  trans-60.9149.6-175.473.574.7000112.9D26 A30 L31 R32D26-N28 PolarHBondContact O-N 3.43Å; N28-A30 PolarHBondContact O-N 3.39Å; N28-A30 PolarHBondContact OD1-N 3.07Å; N28-L31 PolarHBondContact O-N 3.27Å; N28-L31 VanDerWaalsContact O-N 3.12Å; N28-L31 WeakPolarHBondContact OD1-CB 3.5Å; N28-L31 PolarHBondContact OD1-N 2.81Å; N28-R32 WeakPolarHBondContact O-CG 3.45Å; N28-R32 PolarHBondContact O-N 3.03Å
29F95.1Very high96.9Very high126 Ų12658.7 Ų58.755%0.55331%0.309SS*.Hα-helixtrans-52-46.8-171.9177.6-99.2000114.1L31 R32 K33F29-L31 PolarHBondContact O-N 3.33Å; F29-R32 PolarHBondContact O-N 2.91Å; F29-K33 HydrophobicContact CE1-CG 4.23Å; F29-K33 VanDerWaalsContact CE2-CE 3.46Å; F29-K33 HydrophobicContact CE2-CG 4.49Å; F29-K33 HydrophobicContact CZ-CD 4.42Å; F29-K33 HydrophobicContact CZ-CG 4.17Å; F29-K33 PolarHBondContact O-N 2.75Å; F29-K33 VanDerWaalsContact O-N 3.16Å
30A96.1Very high96.9Very high61 Ų6156 Ų5650%0.50430%0.298SS..Hα-helixtrans-62.4-45.7-178.800000111.6N28 R32 K33 I34N28-A30 PolarHBondContact O-N 3.39Å; N28-A30 PolarHBondContact OD1-N 3.07Å; A30-R32 VanDerWaalsContact C-N 3.34Å; A30-R32 PolarHBondContact O-N 3.45Å; A30-K33 PolarHBondContact O-N 3.33Å; A30-I34 PolarHBondContact O-N 2.8Å
31L95.1Very high96.9Very high46 Ų4654.3 Ų54.324%0.24129%0.287CS..Hα-helixtrans-63.9-38.5177.2-178.155.2000111.8I27 N28 F29 K33 I34 V35 F61I27-L31 HydrophobicContact CG2-CB 3.94Å; I27-L31 HydrophobicContact CG2-CD2 3.83Å; I27-L31 HydrophobicContact CG2-CG 3.78Å; N28-L31 PolarHBondContact O-N 3.27Å; N28-L31 VanDerWaalsContact O-N 3.12Å; N28-L31 WeakPolarHBondContact OD1-CB 3.5Å; N28-L31 PolarHBondContact OD1-N 2.81Å; F29-L31 PolarHBondContact O-N 3.33Å; L31-K33 VanDerWaalsContact C-N 3.33Å; L31-K33 PolarHBondContact O-N 3.01Å; L31-I34 PolarHBondContact O-N 2.96Å; L31-V35 HydrophobicContact CD1-CG2 4.08Å; L31-V35 HydrophobicContact CG-CG2 4.36Å; L31-V35 WeakPolarHBondContact O-CG2 3.49Å; L31-V35 PolarHBondContact O-N 2.89Å; L31-F61 HydrophobicContact CD1-CD1 4.45Å; L31-F61 HydrophobicContact CD1-CE1 3.68Å; L31-F61 HydrophobicContact CD1-CZ 4.23Å
32R97.2Very high96.9Very high38 Ų3854.3 Ų54.314%0.14329%0.288CS..Hα-helixtrans-58.8-44.4175.8-61.7-165-57-105.712.3112.1L22 S23 I27 N28 F29 A30 I34 V35 C36L22-R32 HydrophobicContact CB-CB 4.37Å; L22-R32 HydrophobicContact CB-CG 3.73Å; L22-R32 HydrophobicContact CD1-CB 4.27Å; L22-R32 HydrophobicContact CD1-CG 4.42Å; S23-R32 VanDerWaalsContact N-CD 3.31Å; I27-R32 HydrophobicContact CB-CG 3.99Å; I27-R32 HydrophobicContact CG2-CG 3.69Å; I27-R32 VanDerWaalsContact O-CD 3.29Å; I27-R32 WeakPolarHBondContact O-CD 3.43Å; I27-R32 VanDerWaalsContact O-CG 3.31Å; I27-R32 WeakPolarHBondContact O-CG 3.15Å; I27-R32 PolarHBondContact O-NH1 3.48Å; N28-R32 WeakPolarHBondContact O-CG 3.45Å; N28-R32 PolarHBondContact O-N 3.03Å; F29-R32 PolarHBondContact O-N 2.91Å; A30-R32 VanDerWaalsContact C-N 3.34Å; A30-R32 PolarHBondContact O-N 3.45Å; R32-I34 PolarHBondContact O-N 3.41Å; R32-V35 PolarHBondContact O-N 3.04Å; R32-C36 WeakPolarHBondContact O-CB 3.2Å; R32-C36 PolarHBondContact O-N 2.85Å; R32-C36 PolarHBondContact O-SG 2.9Å
33K96.3Very high96.9Very high84 Ų8457 Ų5737%0.36530%0.3SS..Hα-helixtrans-62.2-43178.3-66.2-57.7-173.9-175.20111.8E19 F29 A30 L31 C36 L37E19-K33 WeakPolarHBondContact OE1-CE 3.36Å; E19-K33 IonicContact OE1-NZ 3.83Å; E19-K33 PolarHBondContact OE1-NZ 2.79Å; E19-K33 IonicContact OE2-NZ 3.58Å; E19-K33 PolarHBondContact OE2-NZ 2.87Å; F29-K33 HydrophobicContact CE1-CG 4.23Å; F29-K33 VanDerWaalsContact CE2-CE 3.46Å; F29-K33 HydrophobicContact CE2-CG 4.49Å; F29-K33 HydrophobicContact CZ-CD 4.42Å; F29-K33 HydrophobicContact CZ-CG 4.17Å; F29-K33 PolarHBondContact O-N 2.75Å; F29-K33 VanDerWaalsContact O-N 3.16Å; A30-K33 PolarHBondContact O-N 3.33Å; L31-K33 VanDerWaalsContact C-N 3.33Å; L31-K33 PolarHBondContact O-N 3.01Å; K33-C36 PolarHBondContact O-N 2.82Å; K33-L37 WeakPolarHBondContact O-CG 3.31Å; K33-L37 PolarHBondContact O-N 2.93Å
34I96.1Very high97Very high75 Ų7554.8 Ų54.839%0.38528%0.284SS..Hα-helixtrans-59.9-52175.1-65.6168.8000110.2A30 L31 R32 C36 L37 L38 F61A30-I34 PolarHBondContact O-N 2.8Å; L31-I34 PolarHBondContact O-N 2.96Å; R32-I34 PolarHBondContact O-N 3.41Å; I34-C36 VanDerWaalsContact C-N 3.29Å; I34-C36 PolarHBondContact O-N 2.9Å; I34-L37 PolarHBondContact O-N 2.83Å; I34-L37 VanDerWaalsContact O-N 3.07Å; I34-L38 WeakPolarHBondContact O-CG 3.3Å; I34-L38 PolarHBondContact O-N 2.78Å; I34-F61 HydrophobicContact CG2-CG 4.45Å
35V95.1Very high97Very high36 Ų3658.4 Ų58.422%0.21831%0.305CS..Hα-helixtrans-59.4-39.5-178173.70000111.9L22 L31 R32 L37 L38L22-V35 HydrophobicContact CD1-CB 3.85Å; L22-V35 HydrophobicContact CD1-CG1 3.64Å; L22-V35 HydrophobicContact CD2-CG1 4.28Å; L31-V35 HydrophobicContact CD1-CG2 4.08Å; L31-V35 HydrophobicContact CG-CG2 4.36Å; L31-V35 WeakPolarHBondContact O-CG2 3.49Å; L31-V35 PolarHBondContact O-N 2.89Å; R32-V35 PolarHBondContact O-N 3.04Å; V35-L37 PolarHBondContact O-N 2.78Å; V35-L38 WeakPolarHBondContact O-CB 3.37Å; V35-L38 PolarHBondContact O-N 3.18Å; V35-L38 VanDerWaalsContact O-N 3.15Å
36C96.6Very high97Very high33 Ų3358.8 Ų58.822%0.22331%0.307CS..Hα-helixtrans-65.9-23.5179.4-67.50000113.7Q15 R32 K33 I34Q15-C36 PolarHBondContact NE2-O 2.8Å; R32-C36 WeakPolarHBondContact O-CB 3.2Å; R32-C36 PolarHBondContact O-N 2.85Å; R32-C36 PolarHBondContact O-SG 2.9Å; K33-C36 PolarHBondContact O-N 2.82Å; I34-C36 VanDerWaalsContact C-N 3.29Å; I34-C36 PolarHBondContact O-N 2.9Å
37L96.3Very high97Very high142 Ų14257.8 Ų57.874%0.74330%0.301SS*.Hα-helixtrans-85-16.7176.7-65.6171.8000112.9K33 I34 V35K33-L37 WeakPolarHBondContact O-CG 3.31Å; K33-L37 PolarHBondContact O-N 2.93Å; I34-L37 PolarHBondContact O-N 2.83Å; I34-L37 VanDerWaalsContact O-N 3.07Å; V35-L37 PolarHBondContact O-N 2.78Å
38L95.9Very high96.9Very high22 Ų2260.3 Ų60.312%0.11532%0.317CS..  trans-68.5150.8-179.5-59.3176.1000111.4I34 V35 P40 T59 T60 F61I34-L38 WeakPolarHBondContact O-CG 3.3Å; I34-L38 PolarHBondContact O-N 2.78Å; V35-L38 WeakPolarHBondContact O-CB 3.37Å; V35-L38 PolarHBondContact O-N 3.18Å; V35-L38 VanDerWaalsContact O-N 3.15Å; L38-P40 VanDerWaalsContact C-CD 3.47Å; L38-P40 VanDerWaalsContact O-CD 3.31Å; L38-P40 WeakPolarHBondContact O-CD 3.36Å; L38-T59 HydrophobicContact CD1-CG2 4.09Å; L38-T60 WeakPolarHBondContact CD2-OG1 3.28Å; L38-F61 HydrophobicContact CD1-CB 4.01Å; L38-F61 HydrophobicContact CD2-CB 4.23Å
39K96.6Very high96.8Very high148 Ų14860.4 Ų60.464%0.64333%0.331SS*.  trans-116.678.3173.2-61.4-61.6-176.5-179.70109.2L12L12-K39 HydrophobicContact CD2-CD 4.23Å
40P97.6Very high96.9Very high9 Ų958.4 Ų58.46%0.05833%0.329CS..  trans-59144.4-177.820.7-33.1000112.8L12 L38 T57 L58 T59 F134L12-P40 HydrophobicContact CB-CG 4.18Å; L12-P40 WeakPolarHBondContact CB-O 3.35Å; L12-P40 HydrophobicContact CD2-CG 4.01Å; L12-P40 HydrophobicContact CG-CG 4.49Å; L12-P40 PolarHBondContact N-O 3.32Å; L12-P40 VanDerWaalsContact N-O 3.13Å; L38-P40 VanDerWaalsContact C-CD 3.47Å; L38-P40 VanDerWaalsContact O-CD 3.31Å; L38-P40 WeakPolarHBondContact O-CD 3.36Å; P40-T57 HydrophobicContact CB-CG2 3.9Å; P40-L58 VanDerWaalsContact CA-O 3.25Å; P40-L58 WeakPolarHBondContact CA-O 3.34Å; P40-T59 HydrophobicContact CB-CG2 4.02Å; P40-F134 HydrophobicContact CB-CE1 4.37Å; P40-F134 HydrophobicContact CG-CE1 4.11Å; P40-F134 HydrophobicContact CG-CZ 4.44Å
41T98.6Very high97Very high28 Ų2856.1 Ų56.117%0.17231%0.311CS..EExtended strand (participates in β ladder)trans-107.3137.7164.5-65.80000109T9 Y10 H11 L58T9-T41 HydrophobicContact CG2-CG2 3.59Å; Y10-T41 CarbonylContact O-C 3.59Å; Y10-T41 VanDerWaalsContact O-CA 3.31Å; Y10-T41 WeakPolarHBondContact O-CA 3.48Å; H11-T41 PolarHBondContact ND1-OG1 2.85Å; T41-L58 PolarHBondContact N-O 3.04Å; T41-L58 PolarHBondContact O-N 3.44Å
42K98.8Very high97.1Very high15 Ų1555.7 Ų55.77%0.06531%0.314CS..EExtended strand (participates in β ladder)trans-105123.2172.2-71-177.2178.7-72.80109.8T9 Y10 I44 R56 T57 L119 F134T9-K42 CarbonylContact C-O 3.58Å; T9-K42 WeakPolarHBondContact CA-O 3.31Å; Y10-K42 PolarHBondContact N-O 2.91Å; Y10-K42 PolarHBondContact O-N 2.84Å; K42-I44 HydrophobicContact CB-CG1 4.48Å; K42-R56 CarbonylContact C-O 3.58Å; K42-R56 VanDerWaalsContact CA-O 3.28Å; K42-R56 WeakPolarHBondContact CA-O 3.28Å; K42-T57 PolarHBondContact NZ-OG1 2.83Å; K42-T57 VanDerWaalsContact NZ-OG1 3.09Å; K42-L119 HydrophobicContact CD-CD2 3.9Å; K42-F134 HydrophobicContact CD-CD1 4.39Å; K42-F134 HydrophobicContact CD-CD2 4.33Å; K42-F134 HydrophobicContact CD-CE1 4.07Å; K42-F134 HydrophobicContact CD-CE2 3.99Å; K42-F134 HydrophobicContact CD-CZ 3.87Å; K42-F134 HydrophobicContact CG-CD1 4.32Å; K42-F134 HydrophobicContact CG-CE1 3.98Å; K42-F134 HydrophobicContact CG-CZ 4.24Å
43E98.8Very high97.2Very high63 Ų6353.9 Ų53.929%0.29431%0.308SS..EExtended strand (participates in β ladder)trans-104.6121.3165.7-61.5178.5168.600108.2T9 R56 L58T9-E43 HydrophobicContact CG2-CG 4.33Å; E43-R56 HydrophobicContact CB-CB 4.25Å; E43-R56 PolarHBondContact N-O 3.22Å; E43-R56 PolarHBondContact O-N 2.81Å; E43-R56 IonicContact OE2-CZ 3.38Å; E43-R56 IonicContact OE2-NE 2.73Å; E43-R56 IonicContact OE2-NH1 3.91Å; E43-R56 PolarHBondContact OE2-NH1 3.48Å; E43-L58 HydrophobicContact CG-CD1 3.97Å; E43-L58 WeakPolarHBondContact OE1-CD1 3.3Å
44I98.8Very high97.3Very high5 Ų555 Ų553%0.02631%0.312CS..EExtended strand (participates in β ladder)trans-119.6129.6-176.9-56.5-179.9000109.4T7 G8 Y10 K42 K54 I55 L119T7-I44 VanDerWaalsContact CA-O 3.3Å; T7-I44 WeakPolarHBondContact CA-O 3.38Å; G8-I44 PolarHBondContact N-O 2.85Å; G8-I44 PolarHBondContact O-N 2.81Å; Y10-I44 HydrophobicContact CD2-CD1 4.26Å; Y10-I44 HydrophobicContact CD2-CG1 4.47Å; Y10-I44 HydrophobicContact CE2-CB 4.43Å; Y10-I44 HydrophobicContact CE2-CD1 4.06Å; Y10-I44 HydrophobicContact CE2-CG1 4.34Å; K42-I44 HydrophobicContact CB-CG1 4.48Å; I44-K54 WeakPolarHBondContact CA-O 3.46Å; I44-I55 HydrophobicContact CG1-CG1 4.29Å; I44-I55 HydrophobicContact CG1-CG2 4.22Å; I44-I55 HydrophobicContact CG2-CG1 4.39Å; I44-L119 HydrophobicContact CD1-CD2 3.64Å
45T98.6Very high97.4Very high91 Ų9151.6 Ų51.656%0.55830%0.295SS*.EExtended strand (participates in β ladder)trans-113.5125.8165-54.30000108.2M53 K54T45-M53 WeakPolarHBondContact O-CA 3.47Å; T45-K54 PolarHBondContact N-O 3.43Å; T45-K54 PolarHBondContact O-N 3.38Å
46H98.3Very high97.6Very high10 Ų1055.3 Ų55.35%0.04631%0.305CS..EExtended strand (participates in β ladder)trans-132.3113.1-179.2-179.1-159.8000110.5P4 T7 V48 M53 W92P4-H46 PolarHBondContact O-CE1 3.01Å; T7-H46 PolarHBondContact OG1-N 2.86Å; T7-H46 PolarHBondContact OG1-O 3Å; H46-V48 PolarHBondContact O-N 2.96Å; H46-M53 HydrophobicContact CB-CE 3.73Å; H46-M53 WeakPolarHBondContact CD2-CE 3.31Å; H46-W92 AromaticContact CE1-CZ2 3.77Å
47D97.7Very high97.6Very high74 Ų7454.9 Ų54.940%0.39630%0.302SS..  trans-85.3102.6165-179.7-9.7000108.8A49 T50 G51 A52D47-A49 PolarHBondContact O-N 3.13Å; D47-A49 WeakPolarHBondContact OD1-CB 3.28Å; D47-A49 PolarHBondContact OD1-N 3.39Å; D47-T50 WeakPolarHBondContact CB-OG1 3.25Å; D47-T50 PolarHBondContact O-N 3.33Å; D47-T50 PolarHBondContact OD1-N 2.73Å; D47-T50 VanDerWaalsContact OD2-CG2 3.24Å; D47-T50 WeakPolarHBondContact OD2-CG2 3.33Å; D47-T50 PolarHBondContact OD2-OG1 2.93Å; D47-G51 VanDerWaalsContact O-CA 3.3Å; D47-G51 WeakPolarHBondContact O-CA 3.35Å; D47-G51 PolarHBondContact O-N 3.49Å; D47-A52 HydrophobicContact CB-CB 4.31Å; D47-A52 PolarHBondContact N-O 3.35Å
48V95.4Very high97.7Very high65 Ų6549.8 Ų49.839%0.39428%0.275SS..THydrogen-bonded Turntrans-66.6-25.6-177.6-175.40000112K3 N5 H46K3-V48 HydrophobicContact CB-CG1 4.45Å; N5-V48 HydrophobicContact CB-CG2 3.95Å; H46-V48 PolarHBondContact O-N 2.96Å
49A94.9Very high97.7Very high97 Ų9750.4 Ų50.480%0.80228%0.28SS*.THydrogen-bonded Turntrans-76.9-39.3-178.400000111.7D47D47-A49 PolarHBondContact O-N 3.13Å; D47-A49 WeakPolarHBondContact OD1-CB 3.28Å; D47-A49 PolarHBondContact OD1-N 3.39Å
50T96.6Very high97.6Very high85 Ų8550 Ų5052%0.52129%0.29SS..THydrogen-bonded Turntrans-98.8-17.8-178.164.70000113.6D47 A52D47-T50 WeakPolarHBondContact CB-OG1 3.25Å; D47-T50 PolarHBondContact O-N 3.33Å; D47-T50 PolarHBondContact OD1-N 2.73Å; D47-T50 VanDerWaalsContact OD2-CG2 3.24Å; D47-T50 WeakPolarHBondContact OD2-CG2 3.33Å; D47-T50 PolarHBondContact OD2-OG1 2.93Å; T50-A52 PolarHBondContact O-N 2.74Å; T50-A52 WeakPolarHBondContact OG1-CB 3.48Å; T50-A52 PolarHBondContact OG1-N 3.33Å
51G97.2Very high97.3Very high12 Ų1255.3 Ų55.312%0.12431%0.312CS..  trans74.68.9-171.500000113.7D47 T69 I70D47-G51 VanDerWaalsContact O-CA 3.3Å; D47-G51 WeakPolarHBondContact O-CA 3.35Å; D47-G51 PolarHBondContact O-N 3.49Å; G51-T69 WeakPolarHBondContact O-CA 3.43Å; G51-I70 PolarHBondContact O-N 2.96Å
52A98.4Very high97Very high37 Ų3759.6 Ų59.631%0.30633%0.328SS..EExtended strand (participates in β ladder)trans-68.7130.1174.600000110.2D47 T50D47-A52 HydrophobicContact CB-CB 4.31Å; D47-A52 PolarHBondContact N-O 3.35Å; T50-A52 PolarHBondContact O-N 2.74Å; T50-A52 WeakPolarHBondContact OG1-CB 3.48Å; T50-A52 PolarHBondContact OG1-N 3.33Å
53M98.5Very high96.8Very high1 Ų162.5 Ų62.51%0.00535%0.345CS..EExtended strand (participates in β ladder)trans-138.9132.4-173.9-174.1163.6-71.500111.7T45 H46 I55 F68 I70 L97T45-M53 WeakPolarHBondContact O-CA 3.47Å; H46-M53 HydrophobicContact CB-CE 3.73Å; H46-M53 WeakPolarHBondContact CD2-CE 3.31Å; M53-I55 HydrophobicContact CG-CD1 4.36Å; M53-I55 HydrophobicContact CG-CG1 3.96Å; M53-I55 HydrophobicContact SD-CD1 3.99Å; M53-I55 HydrophobicContact SD-CG1 4.18Å; M53-F68 HydrophobicContact CB-CD2 4.34Å; M53-F68 HydrophobicContact CB-CE1 4.21Å; M53-F68 HydrophobicContact CB-CE2 3.84Å; M53-F68 HydrophobicContact CB-CZ 3.78Å; M53-F68 HydrophobicContact CG-CE1 4.07Å; M53-F68 HydrophobicContact CG-CE2 4.22Å; M53-F68 HydrophobicContact CG-CZ 3.67Å; M53-F68 PolarHBondContact N-O 2.92Å; M53-F68 PolarHBondContact O-N 3.16Å; M53-F68 HydrophobicContact SD-CE1 4.4Å; M53-F68 HydrophobicContact SD-CE2 4.09Å; M53-F68 HydrophobicContact SD-CZ 3.55Å; M53-F68 VanDerWaalsContact SD-CZ 3.55Å; M53-I70 HydrophobicContact CE-CD1 3.93Å; M53-L97 HydrophobicContact CE-CD1 3.75Å; M53-L97 HydrophobicContact SD-CD1 3.81Å
54K98.6Very high96.7Very high106 Ų10661.2 Ų61.246%0.46134%0.338SS..EExtended strand (participates in β ladder)trans-119.6128.4169.3-55.5-168.2-170.5-1400109.2I44 T45 M66 D67I44-K54 WeakPolarHBondContact CA-O 3.46Å; T45-K54 PolarHBondContact N-O 3.43Å; T45-K54 PolarHBondContact O-N 3.38Å; K54-M66 CarbonylContact C-O 3.56Å; K54-M66 VanDerWaalsContact CA-O 3.28Å; K54-M66 WeakPolarHBondContact CA-O 3.24Å; K54-D67 WeakPolarHBondContact CE-OD2 3.45Å; K54-D67 HydrophobicContact CG-CB 4.42Å; K54-D67 IonicContact NZ-OD1 3.83Å; K54-D67 IonicContact NZ-OD2 3.95Å; K54-D67 PolarHBondContact NZ-OD2 3.29Å
55I98.6Very high96.5Very high4 Ų465.4 Ų65.42%0.02136%0.36CS..EExtended strand (participates in β ladder)trans-122.9113.1176-55.5178.2000107.5I44 M53 N65 M66 F68 W110I44-I55 HydrophobicContact CG1-CG1 4.29Å; I44-I55 HydrophobicContact CG1-CG2 4.22Å; I44-I55 HydrophobicContact CG2-CG1 4.39Å; M53-I55 HydrophobicContact CG-CD1 4.36Å; M53-I55 HydrophobicContact CG-CG1 3.96Å; M53-I55 HydrophobicContact SD-CD1 3.99Å; M53-I55 HydrophobicContact SD-CG1 4.18Å; I55-N65 CarbonylContact O-C 3.5Å; I55-N65 WeakPolarHBondContact O-CA 3.08Å; I55-M66 HydrophobicContact CB-CB 4.39Å; I55-M66 PolarHBondContact N-O 3.41Å; I55-M66 PolarHBondContact O-N 3.2Å; I55-F68 HydrophobicContact CD1-CE1 3.98Å; I55-F68 HydrophobicContact CD1-CZ 4.08Å; I55-F68 HydrophobicContact CG1-CE1 4.24Å; I55-W110 HydrophobicContact CD1-CH2 4.27Å
56R98.4Very high96.5Very high114 Ų11461.8 Ų61.843%0.4334%0.338SS..EExtended strand (participates in β ladder)trans-103.5117174.6-55.6173.766.4-164.17.8108.6K42 E43 L58 N65K42-R56 CarbonylContact C-O 3.58Å; K42-R56 VanDerWaalsContact CA-O 3.28Å; K42-R56 WeakPolarHBondContact CA-O 3.28Å; E43-R56 HydrophobicContact CB-CB 4.25Å; E43-R56 PolarHBondContact N-O 3.22Å; E43-R56 PolarHBondContact O-N 2.81Å; E43-R56 IonicContact OE2-CZ 3.38Å; E43-R56 IonicContact OE2-NE 2.73Å; E43-R56 IonicContact OE2-NH1 3.91Å; E43-R56 PolarHBondContact OE2-NH1 3.48Å; R56-L58 HydrophobicContact CB-CD2 4.19Å; R56-N65 WeakPolarHBondContact CA-OD1 3.3Å; R56-N65 WeakPolarHBondContact CB-OD1 3.45Å; R56-N65 WeakPolarHBondContact CG-OD1 3.23Å
57T98.3Very high96.5Very high25 Ų2566 Ų6615%0.15336%0.361CS..EExtended strand (participates in β ladder)trans-98.8109.5172.2-57.30000108.3P40 K42 N63 F64P40-T57 HydrophobicContact CB-CG2 3.9Å; K42-T57 PolarHBondContact NZ-OG1 2.83Å; K42-T57 VanDerWaalsContact NZ-OG1 3.09Å; T57-N63 WeakPolarHBondContact O-CA 3.14Å; T57-F64 PolarHBondContact N-O 3.09Å; T57-F64 PolarHBondContact O-N 3.15Å
58L97.8Very high96.5Very high35 Ų3562.9 Ų62.918%0.18334%0.343CS..EExtended strand (participates in β ladder)trans-100.2130.3-174-53.7-179.1000110.5P40 T41 E43 R56 N63P40-L58 VanDerWaalsContact CA-O 3.25Å; P40-L58 WeakPolarHBondContact CA-O 3.34Å; T41-L58 PolarHBondContact N-O 3.04Å; T41-L58 PolarHBondContact O-N 3.44Å; E43-L58 HydrophobicContact CG-CD1 3.97Å; E43-L58 WeakPolarHBondContact OE1-CD1 3.3Å; R56-L58 HydrophobicContact CB-CD2 4.19Å; L58-N63 VanDerWaalsContact CA-OD1 3.3Å; L58-N63 WeakPolarHBondContact CA-OD1 3.41Å; L58-N63 HydrophobicContact CD2-CB 4.41Å
59T95.9Very high96.6Very high35 Ų3562 Ų6222%0.21534%0.338CS..  trans-137.2168173.778.20000110.7L38 P40 F61 K62 N63L38-T59 HydrophobicContact CD1-CG2 4.09Å; P40-T59 HydrophobicContact CB-CG2 4.02Å; T59-F61 PolarHBondContact O-N 3.3Å; T59-F61 PolarHBondContact OG1-N 2.93Å; T59-K62 PolarHBondContact OG1-N 3.49Å; T59-K62 PolarHBondContact OG1-O 3.26Å; T59-N63 PolarHBondContact N-OD1 2.96Å; T59-N63 PolarHBondContact O-OD1 3.33Å
60T93.4Very high96.8Very high140 Ų14058.4 Ų58.486%0.85931%0.305SS*.SBendtrans-74.7-8.6173.350.20000113.6L38L38-T60 WeakPolarHBondContact CD2-OG1 3.28Å
61F92.3Very high96.9Very high119 Ų11956.6 Ų56.652%0.52230%0.303SS..SBendtrans-107.5-62-176.1-176.6-111.9000112.2L31 I34 L38 T59L31-F61 HydrophobicContact CD1-CD1 4.45Å; L31-F61 HydrophobicContact CD1-CE1 3.68Å; L31-F61 HydrophobicContact CD1-CZ 4.23Å; I34-F61 HydrophobicContact CG2-CG 4.45Å; L38-F61 HydrophobicContact CD1-CB 4.01Å; L38-F61 HydrophobicContact CD2-CB 4.23Å; T59-F61 PolarHBondContact O-N 3.3Å; T59-F61 PolarHBondContact OG1-N 2.93Å
62K92.3Very high97Very high118 Ų11862.3 Ų62.351%0.51333%0.325SS..  trans-149.6135.5178.2-171.7173.8-74.4-175.70110.2T59 P80T59-K62 PolarHBondContact OG1-N 3.49Å; T59-K62 PolarHBondContact OG1-O 3.26Å; K62-P80 HydrophobicContact CD-CB 3.86Å; K62-P80 HydrophobicContact CG-CB 4.44Å
63N94.7Very high97Very high76 Ų7665.6 Ų65.641%0.40633%0.334SS..  trans-89.8152.9177.5-63.2-21.6000110.6T57 L58 T59T57-N63 WeakPolarHBondContact O-CA 3.14Å; L58-N63 VanDerWaalsContact CA-OD1 3.3Å; L58-N63 WeakPolarHBondContact CA-OD1 3.41Å; L58-N63 HydrophobicContact CD2-CB 4.41Å; T59-N63 PolarHBondContact N-OD1 2.96Å; T59-N63 PolarHBondContact O-OD1 3.33Å
64F95.6Very high97Very high37 Ų3767.4 Ų67.416%0.16234%0.342CS..EExtended strand (participates in β ladder)trans-134.4127.3174.3176.7-109.6000109.4T57 M66 E76 L78 P80 V81T57-F64 PolarHBondContact N-O 3.09Å; T57-F64 PolarHBondContact O-N 3.15Å; F64-M66 HydrophobicContact CD1-CG 4.38Å; F64-M66 HydrophobicContact CE1-CG 3.56Å; F64-M66 HydrophobicContact CE1-SD 4.02Å; F64-M66 HydrophobicContact CZ-CG 3.94Å; F64-E76 HydrophobicContact CZ-CG 4.35Å; F64-E76 WeakPolarHBondContact CZ-OE1 3.43Å; F64-L78 HydrophobicContact CE1-CD2 4.41Å; F64-L78 HydrophobicContact CE2-CD2 3.93Å; F64-L78 HydrophobicContact CZ-CD2 3.6Å; F64-P80 HydrophobicContact CD2-CB 4.28Å; F64-P80 HydrophobicContact CD2-CG 4.4Å; F64-V81 HydrophobicContact CD2-CG2 3.84Å; F64-V81 HydrophobicContact CE2-CG2 4.17Å; F64-V81 HydrophobicContact CG-CG2 4.03Å
65N95.6Very high97Very high92 Ų9266.8 Ų66.849%0.49235%0.347SS..EExtended strand (participates in β ladder)trans-122.7139.5-175.2-57.1-41.8000110I55 R56I55-N65 CarbonylContact O-C 3.5Å; I55-N65 WeakPolarHBondContact O-CA 3.08Å; R56-N65 WeakPolarHBondContact CA-OD1 3.3Å; R56-N65 WeakPolarHBondContact CB-OD1 3.45Å; R56-N65 WeakPolarHBondContact CG-OD1 3.23Å
66M97.6Very high96.9Very high16 Ų1666.9 Ų66.98%0.07935%0.347CS..EExtended strand (participates in β ladder)trans-117139.2170.9-5517869.600109K54 I55 F64 F68 F74 E76 W110K54-M66 CarbonylContact C-O 3.56Å; K54-M66 VanDerWaalsContact CA-O 3.28Å; K54-M66 WeakPolarHBondContact CA-O 3.24Å; I55-M66 HydrophobicContact CB-CB 4.39Å; I55-M66 PolarHBondContact N-O 3.41Å; I55-M66 PolarHBondContact O-N 3.2Å; F64-M66 HydrophobicContact CD1-CG 4.38Å; F64-M66 HydrophobicContact CE1-CG 3.56Å; F64-M66 HydrophobicContact CE1-SD 4.02Å; F64-M66 HydrophobicContact CZ-CG 3.94Å; M66-F68 HydrophobicContact CB-CD1 3.93Å; M66-F68 HydrophobicContact CB-CE1 4.03Å; M66-F68 HydrophobicContact CE-CD1 4.25Å; M66-F68 HydrophobicContact CE-CE1 4.11Å; M66-F74 HydrophobicContact CE-CZ 3.92Å; M66-E76 VanDerWaalsContact CE-OE1 3.3Å; M66-E76 WeakPolarHBondContact CE-OE1 3.35Å; M66-W110 HydrophobicContact CE-CZ2 3.8Å; M66-W110 HydrophobicContact SD-CZ2 4.07Å
67D98Very high96.8Very high99 Ų9966.4 Ų66.453%0.52935%0.353SS..EExtended strand (participates in β ladder)trans-137109.9173.5-166.2-16.3000107.6K54K54-D67 WeakPolarHBondContact CE-OD2 3.45Å; K54-D67 HydrophobicContact CG-CB 4.42Å; K54-D67 IonicContact NZ-OD1 3.83Å; K54-D67 IonicContact NZ-OD2 3.95Å; K54-D67 PolarHBondContact NZ-OD2 3.29Å
68F98.6Very high96.6Very high7 Ų765.4 Ų65.43%0.03135%0.347CS..EExtended strand (participates in β ladder)trans-150.5169-171.363.8-87.8000112M53 I55 M66 I70 F74 V90 W110M53-F68 HydrophobicContact CB-CD2 4.34Å; M53-F68 HydrophobicContact CB-CE1 4.21Å; M53-F68 HydrophobicContact CB-CE2 3.84Å; M53-F68 HydrophobicContact CB-CZ 3.78Å; M53-F68 HydrophobicContact CG-CE1 4.07Å; M53-F68 HydrophobicContact CG-CE2 4.22Å; M53-F68 HydrophobicContact CG-CZ 3.67Å; M53-F68 PolarHBondContact N-O 2.92Å; M53-F68 PolarHBondContact O-N 3.16Å; M53-F68 HydrophobicContact SD-CE1 4.4Å; M53-F68 HydrophobicContact SD-CE2 4.09Å; M53-F68 HydrophobicContact SD-CZ 3.55Å; M53-F68 VanDerWaalsContact SD-CZ 3.55Å; I55-F68 HydrophobicContact CD1-CE1 3.98Å; I55-F68 HydrophobicContact CD1-CZ 4.08Å; I55-F68 HydrophobicContact CG1-CE1 4.24Å; M66-F68 HydrophobicContact CB-CD1 3.93Å; M66-F68 HydrophobicContact CB-CE1 4.03Å; M66-F68 HydrophobicContact CE-CD1 4.25Å; M66-F68 HydrophobicContact CE-CE1 4.11Å; F68-I70 HydrophobicContact CE2-CG1 3.99Å; F68-F74 HydrophobicContact CB-CD1 3.66Å; F68-F74 HydrophobicContact CB-CE1 3.44Å; F68-F74 VanDerWaalsContact CB-CE1 3.44Å; F68-F74 HydrophobicContact CB-CE2 4.33Å; F68-F74 HydrophobicContact CB-CG 4.22Å; F68-F74 HydrophobicContact CB-CZ 3.81Å; F68-F74 HydrophobicContact CD1-CE1 4.43Å; F68-F74 HydrophobicContact CD1-CZ 4.25Å; F68-F74 HydrophobicContact CD2-CE1 4.44Å; F68-F74 AromaticContact CG-CE1 3.89Å; F68-F74 HydrophobicContact CG-CE1 3.89Å; F68-F74 HydrophobicContact CG-CZ 4.15Å; F68-V90 HydrophobicContact CD2-CB 4.03Å; F68-V90 HydrophobicContact CD2-CG2 3.96Å; F68-V90 HydrophobicContact CE1-CG2 4.49Å; F68-V90 HydrophobicContact CE2-CB 3.57Å; F68-V90 HydrophobicContact CE2-CG1 3.83Å; F68-V90 HydrophobicContact CE2-CG2 3.61Å; F68-V90 HydrophobicContact CZ-CB 4.24Å; F68-V90 HydrophobicContact CZ-CG1 4.23Å; F68-V90 HydrophobicContact CZ-CG2 3.9Å; F68-W110 HydrophobicContact CZ-CH2 4.45Å
69T98.6Very high96.4Very high46 Ų4665.4 Ų65.428%0.28236%0.356SS..EExtended strand (participates in β ladder)trans-114.4127.1169.2-55.60000108.6G51 G71 K72G51-T69 WeakPolarHBondContact O-CA 3.43Å; T69-G71 PolarHBondContact O-N 2.91Å; T69-K72 HydrophobicContact CG2-CD 4.03Å; T69-K72 HydrophobicContact CG2-CG 4.25Å; T69-K72 PolarHBondContact O-N 2.88Å
70I98.6Very high96Very high22 Ų2266.3 Ų66.311%0.11336%0.362CS..THydrogen-bonded Turntrans-56.4134.1177.2-62.5164.5000109.4G51 M53 F68 K72 V90 W92 L97G51-I70 PolarHBondContact O-N 2.96Å; M53-I70 HydrophobicContact CE-CD1 3.93Å; F68-I70 HydrophobicContact CE2-CG1 3.99Å; I70-K72 VanDerWaalsContact C-N 3.34Å; I70-V90 CarbonylContact C-O 3.36Å; I70-V90 WeakPolarHBondContact CA-O 3.39Å; I70-V90 WeakPolarHBondContact CG2-O 3.38Å; I70-W92 HydrophobicContact CD1-CZ2 4.02Å; I70-W92 HydrophobicContact CG2-CG 4.49Å; I70-L97 HydrophobicContact CD1-CD2 3.74Å; I70-L97 HydrophobicContact CG1-CD2 4.23Å
71G98.3Very high95.9Very high47 Ų4762 Ų6249%0.48534%0.336SS..THydrogen-bonded Turntrans86.2-4.3-176.900000115.3T69 V90 N91T69-G71 PolarHBondContact O-N 2.91Å; G71-V90 PolarHBondContact N-O 2.84Å; G71-N91 WeakPolarHBondContact CA-OD1 3.48Å
72K98.6Very high96Very high133 Ų13357.7 Ų57.758%0.57832%0.318SS*.  trans-112.8133.5177.6-59.8-170.7-176.8174.70110.8T69 I70T69-K72 HydrophobicContact CG2-CD 4.03Å; T69-K72 HydrophobicContact CG2-CG 4.25Å; T69-K72 PolarHBondContact O-N 2.88Å; I70-K72 VanDerWaalsContact C-N 3.34Å
73E98.6Very high96.1Very high105 Ų10555 Ų5549%0.49132%0.324SS..  trans-71.3143.2171.6-168.4170.4-108.400109.9Q87 T88 T89 K102E73-Q87 HydrophobicContact CG-CB 4.3Å; E73-T88 CarbonylContact C-O 3.55Å; E73-T88 WeakPolarHBondContact CA-O 3.36Å; E73-T89 WeakPolarHBondContact CB-OG1 3.45Å; E73-K102 IonicContact OE1-NZ 3.81Å
74F98.4Very high96.2Very high40 Ų4053.1 Ų53.118%0.17531%0.311CS..EExtended strand (participates in β ladder)trans-146.1155.3175.867.3-80000111M66 F68 E76 T88 V90M66-F74 HydrophobicContact CE-CZ 3.92Å; F68-F74 HydrophobicContact CB-CD1 3.66Å; F68-F74 HydrophobicContact CB-CE1 3.44Å; F68-F74 VanDerWaalsContact CB-CE1 3.44Å; F68-F74 HydrophobicContact CB-CE2 4.33Å; F68-F74 HydrophobicContact CB-CG 4.22Å; F68-F74 HydrophobicContact CB-CZ 3.81Å; F68-F74 HydrophobicContact CD1-CE1 4.43Å; F68-F74 HydrophobicContact CD1-CZ 4.25Å; F68-F74 HydrophobicContact CD2-CE1 4.44Å; F68-F74 AromaticContact CG-CE1 3.89Å; F68-F74 HydrophobicContact CG-CE1 3.89Å; F68-F74 HydrophobicContact CG-CZ 4.15Å; F74-E76 HydrophobicContact CD2-CB 4.25Å; F74-E76 HydrophobicContact CE2-CB 3.72Å; F74-E76 HydrophobicContact CE2-CG 4.01Å; F74-E76 HydrophobicContact CZ-CB 4.43Å; F74-E76 PolarHBondContact O-N 2.78Å; F74-T88 WeakPolarHBondContact CD1-O 3.34Å; F74-T88 HydrophobicContact CE1-CG2 3.7Å; F74-T88 WeakPolarHBondContact CE1-O 3.27Å; F74-T88 HydrophobicContact CE2-CG2 4.43Å; F74-T88 HydrophobicContact CZ-CG2 3.58Å; F74-T88 PolarHBondContact N-O 3.29Å; F74-T88 PolarHBondContact O-N 2.98Å; F74-V90 HydrophobicContact CE1-CG2 4.48Å
75T98.2Very high96.3Very high92 Ų9255.1 Ų55.156%0.56433%0.327SS*.EExtended strand (participates in β ladder)trans-78.2113.4172.1-59.10000109.3T85 Q87T75-T85 HydrophobicContact CG2-CG2 3.32Å; T75-Q87 PolarHBondContact OG1-NE2 3.09Å
76E97.7Very high96.4Very high7 Ų750.9 Ų50.93%0.03330%0.304CS..EExtended strand (participates in β ladder)trans-97115.1177.8-170-178.6-16500110.4F64 M66 F74 L78 T85 C86 T88 Q101F64-E76 HydrophobicContact CZ-CG 4.35Å; F64-E76 WeakPolarHBondContact CZ-OE1 3.43Å; M66-E76 VanDerWaalsContact CE-OE1 3.3Å; M66-E76 WeakPolarHBondContact CE-OE1 3.35Å; F74-E76 HydrophobicContact CD2-CB 4.25Å; F74-E76 HydrophobicContact CE2-CB 3.72Å; F74-E76 HydrophobicContact CE2-CG 4.01Å; F74-E76 HydrophobicContact CZ-CB 4.43Å; F74-E76 PolarHBondContact O-N 2.78Å; E76-L78 HydrophobicContact CG-CD2 4.17Å; E76-L78 HydrophobicContact CG-CG 4.06Å; E76-L78 PolarHBondContact O-N 2.78Å; E76-T85 WeakPolarHBondContact O-CA 3.34Å; E76-C86 PolarHBondContact N-O 2.94Å; E76-C86 PolarHBondContact O-N 2.84Å; E76-T88 WeakPolarHBondContact CB-OG1 3.28Å; E76-T88 WeakPolarHBondContact OE2-CB 3.4Å; E76-T88 WeakPolarHBondContact OE2-CG2 3.4Å; E76-T88 PolarHBondContact OE2-OG1 3.27Å; E76-Q101 VanDerWaalsContact CD-NE2 3.32Å; E76-Q101 PolarHBondContact OE1-NE2 3.47Å; E76-Q101 PolarHBondContact OE2-NE2 3.25Å
77D96Very high96.4Very high104 Ų10453.8 Ų53.856%0.55632%0.317SS*.EExtended strand (participates in β ladder)trans-81.7109172.3179.813.4000110.5G79D77-G79 WeakPolarHBondContact OD1-CA 3.34Å; D77-G79 PolarHBondContact OD1-N 3.19Å
78L94.8Very high96.5Very high3 Ų349 Ų492%0.01629%0.292CS..EExtended strand (participates in β ladder)trans-101.817.7178.1-63.8156.4000111.5F64 E76 P80 V81 D82 G83 R84 C86 R108F64-L78 HydrophobicContact CE1-CD2 4.41Å; F64-L78 HydrophobicContact CE2-CD2 3.93Å; F64-L78 HydrophobicContact CZ-CD2 3.6Å; E76-L78 HydrophobicContact CG-CD2 4.17Å; E76-L78 HydrophobicContact CG-CG 4.06Å; E76-L78 PolarHBondContact O-N 2.78Å; L78-P80 VanDerWaalsContact C-CD 3.41Å; L78-P80 VanDerWaalsContact C-N 3.27Å; L78-V81 HydrophobicContact CB-CB 4.49Å; L78-V81 HydrophobicContact CD2-CB 4.47Å; L78-V81 HydrophobicContact CD2-CG2 4.22Å; L78-V81 WeakPolarHBondContact O-CA 3.48Å; L78-V81 PolarHBondContact O-N 2.71Å; L78-D82 VanDerWaalsContact CB-OD1 3.31Å; L78-D82 WeakPolarHBondContact CB-OD1 3.49Å; L78-D82 PolarHBondContact O-N 2.98Å; L78-G83 PolarHBondContact O-N 3Å; L78-R84 CarbonylContact C-O 3.57Å; L78-R84 VanDerWaalsContact CA-O 3.26Å; L78-R84 WeakPolarHBondContact CA-O 3.36Å; L78-R84 VanDerWaalsContact CB-O 3.29Å; L78-R84 WeakPolarHBondContact CB-O 3.43Å; L78-R84 PolarHBondContact N-O 3.39Å; L78-C86 HydrophobicContact CD1-CB 4.04Å; L78-R108 VanDerWaalsContact CD1-CZ 3.42Å; L78-R108 VanDerWaalsContact CD1-NH2 3.26Å
79G92.5Very high96.5Very high36 Ų3649.8 Ų49.837%0.37130%0.297SS..THydrogen-bonded Turntrans-44.2-44.7168.600000114.3D77 V81 R84D77-G79 WeakPolarHBondContact OD1-CA 3.34Å; D77-G79 PolarHBondContact OD1-N 3.19Å; G79-V81 PolarHBondContact O-N 2.71Å; G79-R84 PolarHBondContact N-O 2.87Å
80P87.5Confident96.5Very high54 Ų5447.6 Ų47.635%0.35128%0.284SS..THydrogen-bonded Turntrans-64.7-20.6175.5-2737.7000115.5K62 F64 L78K62-P80 HydrophobicContact CD-CB 3.86Å; K62-P80 HydrophobicContact CG-CB 4.44Å; F64-P80 HydrophobicContact CD2-CB 4.28Å; F64-P80 HydrophobicContact CD2-CG 4.4Å; L78-P80 VanDerWaalsContact C-CD 3.41Å; L78-P80 VanDerWaalsContact C-N 3.27Å
81V91.4Very high96.5Very high50 Ų5049.9 Ų49.930%0.30330%0.296SS..THydrogen-bonded Turntrans-104.3-63.3-171.8-178.10000110.8F64 L78 G79F64-V81 HydrophobicContact CD2-CG2 3.84Å; F64-V81 HydrophobicContact CE2-CG2 4.17Å; F64-V81 HydrophobicContact CG-CG2 4.03Å; L78-V81 HydrophobicContact CB-CB 4.49Å; L78-V81 HydrophobicContact CD2-CB 4.47Å; L78-V81 HydrophobicContact CD2-CG2 4.22Å; L78-V81 WeakPolarHBondContact O-CA 3.48Å; L78-V81 PolarHBondContact O-N 2.71Å; G79-V81 PolarHBondContact O-N 2.71Å
82D93.7Very high96.5Very high27 Ų2750.6 Ų50.614%0.14428%0.284CS..THydrogen-bonded Turntrans-138.89.7-173.569.6-40.7000113.9I27 L78 R84 R108I27-D82 HydrophobicContact CD1-CB 4.39Å; I27-D82 HydrophobicContact CG1-CB 4.23Å; L78-D82 VanDerWaalsContact CB-OD1 3.31Å; L78-D82 WeakPolarHBondContact CB-OD1 3.49Å; L78-D82 PolarHBondContact O-N 2.98Å; D82-R84 VanDerWaalsContact C-N 3.33Å; D82-R84 PolarHBondContact O-N 3.17Å; D82-R84 WeakPolarHBondContact OD2-CD 3.3Å; D82-R84 IonicContact OD2-CZ 3.97Å; D82-R84 IonicContact OD2-NE 2.7Å; D82-R84 IonicContact OD2-NH1 2.79Å; D82-R84 PolarHBondContact OD2-NH1 2.88Å; D82-R108 IonicContact OD1-CZ 2.74Å; D82-R108 IonicContact OD1-NH1 2.67Å; D82-R108 PolarHBondContact OD1-NH1 2.94Å; D82-R108 IonicContact OD1-NH2 3.47Å; D82-R108 PolarHBondContact OD1-NH2 3.14Å; D82-R108 IonicContact OD2-CZ 2.71Å; D82-R108 IonicContact OD2-NH1 3.01Å; D82-R108 PolarHBondContact OD2-NH1 2.84Å; D82-R108 IonicContact OD2-NH2 3.83Å; D82-R108 PolarHBondContact OD2-NH2 3Å
83G94.6Very high96.4Very high62 Ų6250.1 Ų50.164%0.63928%0.284SS*.SBendtrans83.44.9173.700000114.9L78L78-G83 PolarHBondContact O-N 3Å
84R97.2Very high96.3Very high36 Ų3647.6 Ų47.614%0.13629%0.286CS..EExtended strand (participates in β ladder)trans-105.3171.7-171.4-63.8-173.2177.192.6-3.1112.8L25 D26 L78 G79 D82 E104L25-R84 PolarHBondContact O-NH1 3.11Å; D26-R84 IonicContact OD2-CZ 3.79Å; D26-R84 IonicContact OD2-NH2 2.83Å; D26-R84 PolarHBondContact OD2-NH2 3.46Å; L78-R84 CarbonylContact C-O 3.57Å; L78-R84 VanDerWaalsContact CA-O 3.26Å; L78-R84 WeakPolarHBondContact CA-O 3.36Å; L78-R84 VanDerWaalsContact CB-O 3.29Å; L78-R84 WeakPolarHBondContact CB-O 3.43Å; L78-R84 PolarHBondContact N-O 3.39Å; G79-R84 PolarHBondContact N-O 2.87Å; D82-R84 VanDerWaalsContact C-N 3.33Å; D82-R84 PolarHBondContact O-N 3.17Å; D82-R84 WeakPolarHBondContact OD2-CD 3.3Å; D82-R84 IonicContact OD2-CZ 3.97Å; D82-R84 IonicContact OD2-NE 2.7Å; D82-R84 IonicContact OD2-NH1 2.79Å; D82-R84 PolarHBondContact OD2-NH1 2.88Å; R84-E104 WeakPolarHBondContact CD-OE2 3.45Å; R84-E104 IonicContact CZ-OE1 3.46Å; R84-E104 IonicContact CZ-OE2 3.76Å; R84-E104 IonicContact NE-OE1 3.23Å; R84-E104 PolarHBondContact NE-OE1 3.45Å; R84-E104 IonicContact NE-OE2 2.82Å; R84-E104 PolarHBondContact NE-OE2 3Å; R84-E104 IonicContact NH2-OE1 2.82Å; R84-E104 PolarHBondContact NH2-OE1 3.27Å; R84-E104 IonicContact NH2-OE2 3.77Å
85T97.6Very high96.2Very high80 Ų8049.7 Ų49.749%0.49130%0.299SS..EExtended strand (participates in β ladder)trans-122.8142.4166.6-55.50000108.9T75 E76T75-T85 HydrophobicContact CG2-CG2 3.32Å; E76-T85 WeakPolarHBondContact O-CA 3.34Å
86C98.2Very high96.3Very high3 Ų350 Ų502%0.0229%0.293CS..EExtended strand (participates in β ladder)trans-125.6153173.6-720000110.9E76 L78 Q101 K102E76-C86 PolarHBondContact N-O 2.94Å; E76-C86 PolarHBondContact O-N 2.84Å; L78-C86 HydrophobicContact CD1-CB 4.04Å; C86-Q101 HydrophobicContact CB-CB 4.03Å; C86-K102 CarbonylContact C-O 3.51Å; C86-K102 WeakPolarHBondContact CA-O 3.34Å
87Q98.6Very high96.3Very high76 Ų7649.7 Ų49.736%0.35529%0.292SS..EExtended strand (participates in β ladder)trans-89.2109.8160.4-66.3-56.2-37.300107.7E73 T75 K102E73-Q87 HydrophobicContact CG-CB 4.3Å; T75-Q87 PolarHBondContact OG1-NE2 3.09Å; Q87-K102 HydrophobicContact CB-CB 4.47Å; Q87-K102 PolarHBondContact N-O 2.85Å; Q87-K102 WeakPolarHBondContact O-CB 3.3Å; Q87-K102 PolarHBondContact O-N 3.31Å
88T98.8Very high96.4Very high0 Ų045.6 Ų45.60%027%0.27CS..EExtended strand (participates in β ladder)trans-114.5134.9-166.1-63.70000110.3E73 F74 E76 C99 V100 Q101E73-T88 CarbonylContact C-O 3.55Å; E73-T88 WeakPolarHBondContact CA-O 3.36Å; F74-T88 WeakPolarHBondContact CD1-O 3.34Å; F74-T88 HydrophobicContact CE1-CG2 3.7Å; F74-T88 WeakPolarHBondContact CE1-O 3.27Å; F74-T88 HydrophobicContact CE2-CG2 4.43Å; F74-T88 HydrophobicContact CZ-CG2 3.58Å; F74-T88 PolarHBondContact N-O 3.29Å; F74-T88 PolarHBondContact O-N 2.98Å; E76-T88 WeakPolarHBondContact CB-OG1 3.28Å; E76-T88 WeakPolarHBondContact OE2-CB 3.4Å; E76-T88 WeakPolarHBondContact OE2-CG2 3.4Å; E76-T88 PolarHBondContact OE2-OG1 3.27Å; T88-C99 WeakPolarHBondContact CG2-SG 3.5Å; T88-V100 WeakPolarHBondContact CA-O 3.38Å; T88-Q101 HydrophobicContact CG2-CG 3.96Å
89T98.8Very high96.6Very high22 Ų2245.4 Ų45.414%0.13527%0.269CS..EExtended strand (participates in β ladder)trans-130.7134.1172.2-52.50000109.6E73 N91 C99 V100E73-T89 WeakPolarHBondContact CB-OG1 3.45Å; T89-N91 WeakPolarHBondContact CG2-ND2 3.45Å; T89-C99 WeakPolarHBondContact O-CA 3.38Å; T89-V100 PolarHBondContact N-O 3.17Å; T89-V100 PolarHBondContact O-N 2.68Å
90V98.8Very high96.9Very high0 Ų047.1 Ų47.10%027%0.272CS..EExtended strand (participates in β ladder)trans-113.3125.9174.3-173.50000108.9F68 I70 G71 F74 L97 V98 C99 W110F68-V90 HydrophobicContact CD2-CB 4.03Å; F68-V90 HydrophobicContact CD2-CG2 3.96Å; F68-V90 HydrophobicContact CE1-CG2 4.49Å; F68-V90 HydrophobicContact CE2-CB 3.57Å; F68-V90 HydrophobicContact CE2-CG1 3.83Å; F68-V90 HydrophobicContact CE2-CG2 3.61Å; F68-V90 HydrophobicContact CZ-CB 4.24Å; F68-V90 HydrophobicContact CZ-CG1 4.23Å; F68-V90 HydrophobicContact CZ-CG2 3.9Å; I70-V90 CarbonylContact C-O 3.36Å; I70-V90 WeakPolarHBondContact CA-O 3.39Å; I70-V90 WeakPolarHBondContact CG2-O 3.38Å; G71-V90 PolarHBondContact N-O 2.84Å; F74-V90 HydrophobicContact CE1-CG2 4.48Å; V90-L97 HydrophobicContact CG1-CB 4.21Å; V90-L97 HydrophobicContact CG1-CD2 4.28Å; V90-V98 CarbonylContact C-O 3.6Å; V90-V98 WeakPolarHBondContact CA-O 3.31Å; V90-C99 HydrophobicContact CG2-CB 3.94Å; V90-W110 HydrophobicContact CG1-CH2 3.87Å; V90-W110 HydrophobicContact CG1-CZ3 4.39Å; V90-W110 HydrophobicContact CG2-CH2 3.99Å; V90-W110 HydrophobicContact CG2-CZ2 3.93Å
91N98.5Very high97.5Very high71 Ų7145 Ų4538%0.3826%0.258SS..EExtended strand (participates in β ladder)trans-128.7161.1-177.8-73.1-56.7000111.7G71 T89 L97 V98G71-N91 WeakPolarHBondContact CA-OD1 3.48Å; T89-N91 WeakPolarHBondContact CG2-ND2 3.45Å; N91-L97 WeakPolarHBondContact O-CA 3.46Å; N91-V98 PolarHBondContact N-O 2.81Å; N91-V98 PolarHBondContact O-N 3.39Å
92W98Very high97.8Very high62 Ų6248.7 Ų48.724%0.23527%0.27CS..EExtended strand (participates in β ladder)trans-81.6131.9168-71.4107.6000111.1K3 P4 Y6 H46 I70 K96 L97K3-W92 HydrophobicContact CB-CH2 4.04Å; K3-W92 HydrophobicContact CB-CZ2 3.78Å; K3-W92 HydrophobicContact CD-CD2 3.85Å; K3-W92 HydrophobicContact CD-CE3 4.09Å; K3-W92 HydrophobicContact CD-CG 4.15Å; K3-W92 HydrophobicContact CD-CZ2 4.48Å; K3-W92 HydrophobicContact CG-CD2 4.28Å; K3-W92 HydrophobicContact CG-CZ2 4.18Å; P4-W92 HydrophobicContact CG-CZ3 4.42Å; Y6-W92 HydrophobicContact CD2-CH2 4.07Å; Y6-W92 AromaticContact CE2-CH2 3.57Å; Y6-W92 HydrophobicContact CE2-CH2 3.57Å; Y6-W92 AromaticContact CE2-CZ3 3.78Å; Y6-W92 HydrophobicContact CE2-CZ3 3.78Å; H46-W92 AromaticContact CE1-CZ2 3.77Å; I70-W92 HydrophobicContact CD1-CZ2 4.02Å; I70-W92 HydrophobicContact CG2-CG 4.49Å; W92-K96 WeakPolarHBondContact CA-O 3.4Å; W92-L97 HydrophobicContact CD2-CD2 3.69Å; W92-L97 HydrophobicContact CE3-CD2 3.69Å; W92-L97 HydrophobicContact CE3-CG 4.15Å; W92-L97 HydrophobicContact CG-CD2 4.43Å; W92-L97 HydrophobicContact CH2-CD1 4.45Å; W92-L97 HydrophobicContact CH2-CD2 3.76Å; W92-L97 HydrophobicContact CH2-CG 3.99Å; W92-L97 HydrophobicContact CZ2-CD2 3.73Å; W92-L97 HydrophobicContact CZ2-CG 4.45Å; W92-L97 HydrophobicContact CZ3-CD2 3.73Å; W92-L97 HydrophobicContact CZ3-CG 3.82Å
93E97.8Very high98Very high123 Ų12349.4 Ų49.458%0.57528%0.283SS*.EExtended strand (participates in β ladder)trans-124.8101.2163.1-69.2-175.5-160.800108.4D95 K96 V98E93-D95 PolarHBondContact O-N 3.19Å; E93-D95 VanDerWaalsContact O-N 3.17Å; E93-K96 PolarHBondContact N-O 2.99Å; E93-K96 PolarHBondContact O-N 3Å; E93-V98 HydrophobicContact CB-CG2 3.82Å; E93-V98 HydrophobicContact CG-CB 4.18Å; E93-V98 HydrophobicContact CG-CG2 3.8Å
94G96.2Very high98.1Very high52 Ų5252.8 Ų52.854%0.53628%0.282SS..THydrogen-bonded Turntrans58.9-118.1-16600000110.7K3K3-G94 PolarHBondContact NZ-O 3.33Å
95D96.5Very high98.2Very high84 Ų8452.2 Ų52.245%0.44928%0.281SS..THydrogen-bonded Turntrans-100.710.5179.4-62.9-22.7000113P4 Y6 E93P4-D95 HydrophobicContact CG-CB 3.97Å; Y6-D95 PolarHBondContact OH-O 3.38Å; E93-D95 PolarHBondContact O-N 3.19Å; E93-D95 VanDerWaalsContact O-N 3.17Å
96K98.4Very high98.2Very high98 Ų9855.3 Ų55.343%0.42629%0.29SS..EExtended strand (participates in β ladder)trans-107148.3179.7-51.1-169.2177.8178.10111W92 E93 T111 H112 W113W92-K96 WeakPolarHBondContact CA-O 3.4Å; E93-K96 PolarHBondContact N-O 2.99Å; E93-K96 PolarHBondContact O-N 3Å; K96-T111 HydrophobicContact CB-CG2 3.94Å; K96-T111 HydrophobicContact CD-CG2 4Å; K96-H112 WeakPolarHBondContact CA-O 3.29Å; K96-W113 HydrophobicContact CB-CB 4.33Å; K96-W113 HydrophobicContact CD-CB 4.15Å; K96-W113 HydrophobicContact CD-CG 4.48Å; K96-W113 HydrophobicContact CG-CB 3.79Å
97L98.6Very high98.2Very high1 Ų157.8 Ų57.81%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-94.3117.8167.3-69.4172.1000108.8Y6 M53 I70 V90 N91 W92 W110 T111 H112Y6-L97 HydrophobicContact CD1-CD1 4.27Å; Y6-L97 HydrophobicContact CD2-CD1 3.87Å; Y6-L97 HydrophobicContact CE1-CD1 4.1Å; Y6-L97 HydrophobicContact CE2-CD1 3.71Å; Y6-L97 HydrophobicContact CE2-CG 3.98Å; Y6-L97 HydrophobicContact CG-CD1 4.14Å; M53-L97 HydrophobicContact CE-CD1 3.75Å; M53-L97 HydrophobicContact SD-CD1 3.81Å; I70-L97 HydrophobicContact CD1-CD2 3.74Å; I70-L97 HydrophobicContact CG1-CD2 4.23Å; V90-L97 HydrophobicContact CG1-CB 4.21Å; V90-L97 HydrophobicContact CG1-CD2 4.28Å; N91-L97 WeakPolarHBondContact O-CA 3.46Å; W92-L97 HydrophobicContact CD2-CD2 3.69Å; W92-L97 HydrophobicContact CE3-CD2 3.69Å; W92-L97 HydrophobicContact CE3-CG 4.15Å; W92-L97 HydrophobicContact CG-CD2 4.43Å; W92-L97 HydrophobicContact CH2-CD1 4.45Å; W92-L97 HydrophobicContact CH2-CD2 3.76Å; W92-L97 HydrophobicContact CH2-CG 3.99Å; W92-L97 HydrophobicContact CZ2-CD2 3.73Å; W92-L97 HydrophobicContact CZ2-CG 4.45Å; W92-L97 HydrophobicContact CZ3-CD2 3.73Å; W92-L97 HydrophobicContact CZ3-CG 3.82Å; L97-W110 HydrophobicContact CB-CZ3 4.25Å; L97-T111 CarbonylContact O-C 3.6Å; L97-T111 VanDerWaalsContact O-CA 3.24Å; L97-T111 WeakPolarHBondContact O-CA 3.48Å; L97-H112 HydrophobicContact CB-CB 4.29Å; L97-H112 PolarHBondContact N-O 3.21Å; L97-H112 PolarHBondContact O-N 2.91Å
98V98.8Very high98.2Very high17 Ų1754.6 Ų54.610%0.10330%0.3CS..EExtended strand (participates in β ladder)trans-111.2121.5179.2-178.90000108.9V90 N91 E93 T111V90-V98 CarbonylContact C-O 3.6Å; V90-V98 WeakPolarHBondContact CA-O 3.31Å; N91-V98 PolarHBondContact N-O 2.81Å; N91-V98 PolarHBondContact O-N 3.39Å; E93-V98 HydrophobicContact CB-CG2 3.82Å; E93-V98 HydrophobicContact CG-CB 4.18Å; E93-V98 HydrophobicContact CG-CG2 3.8Å; V98-T111 HydrophobicContact CG2-CG2 3.93Å
99C98.9Very high98.2Very high0 Ų054.7 Ų54.70%030%0.301CS..EExtended strand (participates in β ladder)trans-106.3133.6178.1179.70000110.3T88 T89 V90 G109 W110T88-C99 WeakPolarHBondContact CG2-SG 3.5Å; T89-C99 WeakPolarHBondContact O-CA 3.38Å; V90-C99 HydrophobicContact CG2-CB 3.94Å; C99-G109 VanDerWaalsContact O-CA 3.27Å; C99-G109 WeakPolarHBondContact O-CA 3.39Å; C99-W110 HydrophobicContact CB-CD2 3.29Å; C99-W110 HydrophobicContact CB-CE3 3.68Å; C99-W110 HydrophobicContact CB-CG 3.76Å; C99-W110 HydrophobicContact CB-CH2 3.85Å; C99-W110 HydrophobicContact CB-CZ2 3.51Å; C99-W110 HydrophobicContact CB-CZ3 3.92Å; C99-W110 WeakPolarHBondContact CB-O 3.39Å; C99-W110 PolarHBondContact N-O 2.86Å; C99-W110 PolarHBondContact O-N 2.93Å; C99-W110 VanDerWaalsContact O-N 3.09Å; C99-W110 PolarHBondContact SG-NE1 3.33Å
100V98.8Very high98.2Very high72 Ų7254.4 Ų54.444%0.43630%0.298SS..EExtended strand (participates in β ladder)trans-117.3125.9170.5179.70000108T88 T89 K102T88-V100 WeakPolarHBondContact CA-O 3.38Å; T89-V100 PolarHBondContact N-O 3.17Å; T89-V100 PolarHBondContact O-N 2.68Å; V100-K102 HydrophobicContact CG1-CG 4.05Å
101Q98.8Very high98.2Very high9 Ų955.1 Ų55.14%0.04230%0.302CS..EExtended strand (participates in β ladder)trans-111.895.2179.4-61.3177.1-66.400108.2E76 C86 T88 R108E76-Q101 VanDerWaalsContact CD-NE2 3.32Å; E76-Q101 PolarHBondContact OE1-NE2 3.47Å; E76-Q101 PolarHBondContact OE2-NE2 3.25Å; C86-Q101 HydrophobicContact CB-CB 4.03Å; T88-Q101 HydrophobicContact CG2-CG 3.96Å; Q101-R108 HydrophobicContact CB-CB 4.21Å; Q101-R108 HydrophobicContact CB-CG 3.98Å; Q101-R108 PolarHBondContact N-O 2.74Å
102K98.6Very high98.2Very high128 Ų12851.9 Ų51.956%0.55729%0.285SS*.EExtended strand (participates in β ladder)trans-80.8124.8179.7-62176.5-173160.80109.8E73 C86 Q87 V100E73-K102 IonicContact OE1-NZ 3.81Å; C86-K102 CarbonylContact C-O 3.51Å; C86-K102 WeakPolarHBondContact CA-O 3.34Å; Q87-K102 HydrophobicContact CB-CB 4.47Å; Q87-K102 PolarHBondContact N-O 2.85Å; Q87-K102 WeakPolarHBondContact O-CB 3.3Å; Q87-K102 PolarHBondContact O-N 3.31Å; V100-K102 HydrophobicContact CG1-CG 4.05Å
103G97.5Very high98.2Very high41 Ų4150.8 Ų50.842%0.42328%0.281SS..SBendtrans-178.7-152-179.400000111K105G103-K105 VanDerWaalsContact C-N 3.29Å; G103-K105 PolarHBondContact O-N 3.49Å
104E97.6Very high98.3Very high133 Ų13347.5 Ų47.562%0.62127%0.266SS*.SBendtrans-59.9-34.5-177.1-172.9-168.3130.600114R84R84-E104 WeakPolarHBondContact CD-OE2 3.45Å; R84-E104 IonicContact CZ-OE1 3.46Å; R84-E104 IonicContact CZ-OE2 3.76Å; R84-E104 IonicContact NE-OE1 3.23Å; R84-E104 PolarHBondContact NE-OE1 3.45Å; R84-E104 IonicContact NE-OE2 2.82Å; R84-E104 PolarHBondContact NE-OE2 3Å; R84-E104 IonicContact NH2-OE1 2.82Å; R84-E104 PolarHBondContact NH2-OE1 3.27Å; R84-E104 IonicContact NH2-OE2 3.77Å
105K97.7Very high98.4Very high24 Ų2450.2 Ų50.210%0.10427%0.265CS..SBendtrans-97.2116.9-175.6-66-73.6178.6168.30110.6A24 L25 D26 G103 R108 V125 L126A24-K105 WeakPolarHBondContact O-CE 3.24Å; A24-K105 PolarHBondContact O-NZ 3.12Å; L25-K105 HydrophobicContact CD2-CG 4.43Å; D26-K105 IonicContact OD1-NZ 2.73Å; D26-K105 PolarHBondContact OD1-NZ 2.99Å; D26-K105 WeakPolarHBondContact OD2-CE 3.28Å; D26-K105 IonicContact OD2-NZ 2.89Å; D26-K105 PolarHBondContact OD2-NZ 3.23Å; G103-K105 VanDerWaalsContact C-N 3.29Å; G103-K105 PolarHBondContact O-N 3.49Å; K105-R108 HydrophobicContact CB-CB 4.36Å; K105-R108 WeakPolarHBondContact O-CB 3.42Å; K105-V125 HydrophobicContact CB-CG2 3.63Å; K105-V125 HydrophobicContact CG-CG2 4.26Å; K105-L126 HydrophobicContact CD-CD1 3.97Å; K105-L126 HydrophobicContact CD-CG 4.38Å
106E98.1Very high98.4Very high145 Ų14549.7 Ų49.768%0.67828%0.28SS*.THydrogen-bonded Turntrans-61.4145.1176.7-70.7-65.6157.500112.5R108 L126E106-R108 PolarHBondContact O-N 3.38Å; E106-R108 VanDerWaalsContact O-N 3.14Å; E106-L126 HydrophobicContact CB-CD2 3.91Å; E106-L126 PolarHBondContact O-N 2.87Å
107G98.1Very high98.3Very high55 Ų5550 Ų5057%0.56729%0.286SS*.THydrogen-bonded Turntrans60.921.3177.200000114.8R124G107-R124 CarbonylContact O-C 3.52Å
108R98.8Very high98.3Very high9 Ų953.3 Ų53.33%0.03430%0.3CS..  trans-75.3132179.1-168.7-172178.1151.63.7111.2L78 D82 Q101 K105 E106 R124 V125L78-R108 VanDerWaalsContact CD1-CZ 3.42Å; L78-R108 VanDerWaalsContact CD1-NH2 3.26Å; D82-R108 IonicContact OD1-CZ 2.74Å; D82-R108 IonicContact OD1-NH1 2.67Å; D82-R108 PolarHBondContact OD1-NH1 2.94Å; D82-R108 IonicContact OD1-NH2 3.47Å; D82-R108 PolarHBondContact OD1-NH2 3.14Å; D82-R108 IonicContact OD2-CZ 2.71Å; D82-R108 IonicContact OD2-NH1 3.01Å; D82-R108 PolarHBondContact OD2-NH1 2.84Å; D82-R108 IonicContact OD2-NH2 3.83Å; D82-R108 PolarHBondContact OD2-NH2 3Å; Q101-R108 HydrophobicContact CB-CB 4.21Å; Q101-R108 HydrophobicContact CB-CG 3.98Å; Q101-R108 PolarHBondContact N-O 2.74Å; K105-R108 HydrophobicContact CB-CB 4.36Å; K105-R108 WeakPolarHBondContact O-CB 3.42Å; E106-R108 PolarHBondContact O-N 3.38Å; E106-R108 VanDerWaalsContact O-N 3.14Å; R108-R124 CarbonylContact C-O 3.58Å; R108-R124 VanDerWaalsContact CA-O 3.28Å; R108-R124 WeakPolarHBondContact CA-O 3.37Å; R108-V125 HydrophobicContact CB-CB 4.46Å; R108-V125 HydrophobicContact CB-CG2 4.06Å; R108-V125 HydrophobicContact CG-CB 4.4Å; R108-V125 HydrophobicContact CG-CG2 4.18Å
109G98.7Very high98.3Very high2 Ų252.5 Ų52.52%0.02130%0.295CS..EExtended strand (participates in β ladder)trans167.8-171.9176.100000112.7C99 R124C99-G109 VanDerWaalsContact O-CA 3.27Å; C99-G109 WeakPolarHBondContact O-CA 3.39Å; G109-R124 PolarHBondContact N-O 2.92Å; G109-R124 PolarHBondContact O-N 2.98Å
110W98.9Very high98.3Very high17 Ų1753.6 Ų53.66%0.06430%0.3CS..EExtended strand (participates in β ladder)trans-151.3160.9179.152.7-100.8000112.8I55 M66 F68 V90 L97 C99 H112 L121 E122 M123 R124I55-W110 HydrophobicContact CD1-CH2 4.27Å; M66-W110 HydrophobicContact CE-CZ2 3.8Å; M66-W110 HydrophobicContact SD-CZ2 4.07Å; F68-W110 HydrophobicContact CZ-CH2 4.45Å; V90-W110 HydrophobicContact CG1-CH2 3.87Å; V90-W110 HydrophobicContact CG1-CZ3 4.39Å; V90-W110 HydrophobicContact CG2-CH2 3.99Å; V90-W110 HydrophobicContact CG2-CZ2 3.93Å; L97-W110 HydrophobicContact CB-CZ3 4.25Å; C99-W110 HydrophobicContact CB-CD2 3.29Å; C99-W110 HydrophobicContact CB-CE3 3.68Å; C99-W110 HydrophobicContact CB-CG 3.76Å; C99-W110 HydrophobicContact CB-CH2 3.85Å; C99-W110 HydrophobicContact CB-CZ2 3.51Å; C99-W110 HydrophobicContact CB-CZ3 3.92Å; C99-W110 WeakPolarHBondContact CB-O 3.39Å; C99-W110 PolarHBondContact N-O 2.86Å; C99-W110 PolarHBondContact O-N 2.93Å; C99-W110 VanDerWaalsContact O-N 3.09Å; C99-W110 PolarHBondContact SG-NE1 3.33Å; W110-H112 HydrophobicContact CE3-CB 4.27Å; W110-H112 AromaticContact CE3-CD2 3.76Å; W110-H112 HydrophobicContact CZ3-CB 3.99Å; W110-H112 AromaticContact CZ3-CD2 3.63Å; W110-L121 HydrophobicContact CB-CD1 3.75Å; W110-L121 HydrophobicContact CD2-CD1 4.48Å; W110-L121 HydrophobicContact CE3-CD1 4.41Å; W110-L121 HydrophobicContact CG-CD1 4.27Å; W110-E122 CarbonylContact C-O 3.59Å; W110-E122 WeakPolarHBondContact CA-O 3.48Å; W110-E122 VanDerWaalsContact CB-O 3.3Å; W110-E122 WeakPolarHBondContact CB-O 3.34Å; W110-M123 HydrophobicContact CB-CG 4.24Å; W110-R124 PolarHBondContact O-NH2 2.94Å
111T98.9Very high98.3Very high14 Ų1450.4 Ų50.49%0.08628%0.281CS..EExtended strand (participates in β ladder)trans-129.3129173.3-59.10000110.2K96 L97 V98 W113 L121 E122 R124K96-T111 HydrophobicContact CB-CG2 3.94Å; K96-T111 HydrophobicContact CD-CG2 4Å; L97-T111 CarbonylContact O-C 3.6Å; L97-T111 VanDerWaalsContact O-CA 3.24Å; L97-T111 WeakPolarHBondContact O-CA 3.48Å; V98-T111 HydrophobicContact CG2-CG2 3.93Å; T111-W113 HydrophobicContact CG2-CE3 4.22Å; T111-L121 WeakPolarHBondContact O-CA 3.37Å; T111-E122 PolarHBondContact N-O 2.67Å; T111-E122 PolarHBondContact O-N 3.01Å; T111-R124 VanDerWaalsContact OG1-CZ 3.28Å; T111-R124 PolarHBondContact OG1-NH1 2.79Å; T111-R124 PolarHBondContact OG1-NH2 3.07Å
112H98.8Very high98.3Very high3 Ų352.2 Ų52.21%0.01429%0.29CS..EExtended strand (participates in β ladder)trans-110.8135.9174.7-98.4-52.8000111.1Y6 K96 L97 W110 L119 H120Y6-H112 HydrophobicContact CE1-CB 4Å; Y6-H112 PolarHBondContact OH-O 3.37Å; K96-H112 WeakPolarHBondContact CA-O 3.29Å; L97-H112 HydrophobicContact CB-CB 4.29Å; L97-H112 PolarHBondContact N-O 3.21Å; L97-H112 PolarHBondContact O-N 2.91Å; W110-H112 HydrophobicContact CE3-CB 4.27Å; W110-H112 AromaticContact CE3-CD2 3.76Å; W110-H112 HydrophobicContact CZ3-CB 3.99Å; W110-H112 AromaticContact CZ3-CD2 3.63Å; H112-L119 HydrophobicContact CB-CD1 4.4Å; H112-L119 WeakPolarHBondContact ND1-CD1 3.46Å; H112-H120 VanDerWaalsContact CA-O 3.31Å; H112-H120 WeakPolarHBondContact CA-O 3.4Å; H112-H120 PolarHBondContact ND1-O 2.83Å
113W98.8Very high98.3Very high40 Ų4047 Ų4715%0.15227%0.268CS..EExtended strand (participates in β ladder)trans-146.7160.6172.772.2100.7000111.5Y6 K96 T111 E115 H120 E122Y6-W113 WeakPolarHBondContact OH-CA 3.23Å; K96-W113 HydrophobicContact CB-CB 4.33Å; K96-W113 HydrophobicContact CD-CB 4.15Å; K96-W113 HydrophobicContact CD-CG 4.48Å; K96-W113 HydrophobicContact CG-CB 3.79Å; T111-W113 HydrophobicContact CG2-CE3 4.22Å; W113-E115 PolarHBondContact NE1-OE1 3.28Å; W113-H120 HydrophobicContact CD2-CB 3.41Å; W113-H120 VanDerWaalsContact CD2-CB 3.41Å; W113-H120 AromaticContact CE2-CG 3.58Å; W113-H120 AromaticContact CE2-ND1 3.95Å; W113-H120 HydrophobicContact CE3-CB 3.73Å; W113-H120 HydrophobicContact CG-CB 4.04Å; W113-H120 HydrophobicContact CH2-CB 3.65Å; W113-H120 HydrophobicContact CZ2-CB 3.33Å; W113-H120 AromaticContact CZ2-CG 3.71Å; W113-H120 AromaticContact CZ2-ND1 3.69Å; W113-H120 HydrophobicContact CZ3-CB 3.83Å; W113-H120 PolarHBondContact N-O 2.89Å; W113-H120 VanDerWaalsContact N-O 3.16Å; W113-H120 AromaticContact NE1-CG 3.62Å; W113-H120 PolarHBondContact O-N 2.73Å; W113-E122 HydrophobicContact CH2-CB 4.28Å; W113-E122 HydrophobicContact CZ3-CB 3.9Å
114L98.5Very high98.4Very high53 Ų5347.6 Ų47.628%0.27726%0.257SS..EExtended strand (participates in β ladder)trans-107.4135.5178.7-63.8175.5000110.1P4 Y6 Y10 K118 L119P4-L114 HydrophobicContact CB-CD1 4Å; Y6-L114 HydrophobicContact CD1-CD1 4.37Å; Y6-L114 HydrophobicContact CD1-CD2 4.11Å; Y6-L114 HydrophobicContact CD1-CG 4.09Å; Y6-L114 HydrophobicContact CD2-CD1 4.41Å; Y6-L114 HydrophobicContact CE1-CD1 4.48Å; Y6-L114 HydrophobicContact CE1-CD2 4.22Å; Y6-L114 HydrophobicContact CE1-CG 3.9Å; Y6-L114 HydrophobicContact CE2-CD1 4.49Å; Y6-L114 HydrophobicContact CG-CD1 4.35Å; Y10-L114 HydrophobicContact CE1-CD2 4.43Å; L114-K118 WeakPolarHBondContact CA-O 3.32Å; L114-L119 HydrophobicContact CD2-CB 4.17Å; L114-L119 HydrophobicContact CD2-CD1 3.84Å
115E97.9Very high98.4Very high110 Ų11041.3 Ų41.351%0.51423%0.227SC..EExtended strand (participates in β ladder)trans-12998.5168.1-67-179.2-168.500108W113 N117 K118 H120W113-E115 PolarHBondContact NE1-OE1 3.28Å; E115-N117 PolarHBondContact O-N 2.92Å; E115-K118 PolarHBondContact N-O 2.62Å; E115-K118 WeakPolarHBondContact O-CB 3.43Å; E115-K118 PolarHBondContact O-N 2.73Å; E115-H120 IonicContact OE2-CE1 3.49Å; E115-H120 IonicContact OE2-NE2 3.66Å
116G96.4Very high98.4Very high73 Ų7344.4 Ų44.475%0.75325%0.245SC*.THydrogen-bonded Turntrans58.5-120.8-170.700000111.6K118G116-K118 VanDerWaalsContact C-N 3.33Å
117N96.8Very high98.4Very high104 Ų10441 Ų4156%0.55625%0.249SC*.THydrogen-bonded Turntrans-92.113.6178.1-72.1-16.8000113.5E115 Q135 K136E115-N117 PolarHBondContact O-N 2.92Å; N117-Q135 PolarHBondContact O-NE2 2.95Å; N117-K136 HydrophobicContact CB-CB 4.31Å; N117-K136 WeakPolarHBondContact O-CB 3.01Å; N117-K136 PolarHBondContact O-N 3.42Å
118K98.5Very high98.4Very high70 Ų7041 Ų4130%0.30424%0.235SC..EExtended strand (participates in β ladder)trans-105.6133.9177.6-67.1-177.8171.1-166.60111.1E14 L114 E115 G116 V133 F134E14-K118 IonicContact OE1-NZ 3.52Å; L114-K118 WeakPolarHBondContact CA-O 3.32Å; E115-K118 PolarHBondContact N-O 2.62Å; E115-K118 WeakPolarHBondContact O-CB 3.43Å; E115-K118 PolarHBondContact O-N 2.73Å; G116-K118 VanDerWaalsContact C-N 3.33Å; K118-V133 HydrophobicContact CB-CG1 4.09Å; K118-V133 HydrophobicContact CD-CG1 3.86Å; K118-V133 HydrophobicContact CG-CG1 4.25Å; K118-F134 CarbonylContact C-O 3.38Å; K118-F134 VanDerWaalsContact CA-O 3.28Å; K118-F134 WeakPolarHBondContact CA-O 3.17Å
119L98.8Very high98.4Very high0 Ų043.1 Ų43.10%025%0.249CC..EExtended strand (participates in β ladder)trans-97.6116.5167173.769.1000108.3Y6 Y10 K42 I44 H112 L114 F134Y6-L119 HydrophobicContact CD1-CD1 3.66Å; Y6-L119 HydrophobicContact CE1-CD1 3.74Å; Y10-L119 HydrophobicContact CD1-CB 3.5Å; Y10-L119 HydrophobicContact CD1-CD2 4.28Å; Y10-L119 HydrophobicContact CD2-CD2 3.95Å; Y10-L119 HydrophobicContact CE1-CB 3.77Å; Y10-L119 HydrophobicContact CE2-CD2 4.34Å; Y10-L119 HydrophobicContact CG-CB 3.99Å; Y10-L119 HydrophobicContact CG-CD2 3.93Å; K42-L119 HydrophobicContact CD-CD2 3.9Å; I44-L119 HydrophobicContact CD1-CD2 3.64Å; H112-L119 HydrophobicContact CB-CD1 4.4Å; H112-L119 WeakPolarHBondContact ND1-CD1 3.46Å; L114-L119 HydrophobicContact CD2-CB 4.17Å; L114-L119 HydrophobicContact CD2-CD1 3.84Å; L119-F134 HydrophobicContact CB-CB 4.28Å; L119-F134 PolarHBondContact N-O 3.38Å; L119-F134 PolarHBondContact O-N 3.47Å
120H98.9Very high98.4Very high23 Ų2343.1 Ų43.111%0.10625%0.248CC..EExtended strand (participates in β ladder)trans-97.2143.5176.8-68.3-110.7000110.1H112 W113 E115H112-H120 VanDerWaalsContact CA-O 3.31Å; H112-H120 WeakPolarHBondContact CA-O 3.4Å; H112-H120 PolarHBondContact ND1-O 2.83Å; W113-H120 HydrophobicContact CD2-CB 3.41Å; W113-H120 VanDerWaalsContact CD2-CB 3.41Å; W113-H120 AromaticContact CE2-CG 3.58Å; W113-H120 AromaticContact CE2-ND1 3.95Å; W113-H120 HydrophobicContact CE3-CB 3.73Å; W113-H120 HydrophobicContact CG-CB 4.04Å; W113-H120 HydrophobicContact CH2-CB 3.65Å; W113-H120 HydrophobicContact CZ2-CB 3.33Å; W113-H120 AromaticContact CZ2-CG 3.71Å; W113-H120 AromaticContact CZ2-ND1 3.69Å; W113-H120 HydrophobicContact CZ3-CB 3.83Å; W113-H120 PolarHBondContact N-O 2.89Å; W113-H120 VanDerWaalsContact N-O 3.16Å; W113-H120 AromaticContact NE1-CG 3.62Å; W113-H120 PolarHBondContact O-N 2.73Å; E115-H120 IonicContact OE2-CE1 3.49Å; E115-H120 IonicContact OE2-NE2 3.66Å
121L98.9Very high98.4Very high6 Ų647 Ų473%0.03127%0.266CS..EExtended strand (participates in β ladder)trans-133.8125.2177.1175.955000109.3W110 T111 M123 K131 Q132 F134W110-L121 HydrophobicContact CB-CD1 3.75Å; W110-L121 HydrophobicContact CD2-CD1 4.48Å; W110-L121 HydrophobicContact CE3-CD1 4.41Å; W110-L121 HydrophobicContact CG-CD1 4.27Å; T111-L121 WeakPolarHBondContact O-CA 3.37Å; L121-M123 HydrophobicContact CD1-CG 4Å; L121-M123 HydrophobicContact CD2-CE 4.4Å; L121-M123 HydrophobicContact CD2-CG 4.03Å; L121-M123 HydrophobicContact CD2-SD 3.97Å; L121-M123 HydrophobicContact CG-CG 3.86Å; L121-M123 HydrophobicContact CG-SD 4.4Å; L121-K131 CarbonylContact O-C 3.45Å; L121-K131 WeakPolarHBondContact O-CA 3.33Å; L121-Q132 HydrophobicContact CB-CB 4.22Å; L121-Q132 PolarHBondContact N-O 2.86Å; L121-Q132 PolarHBondContact O-N 3.29Å; L121-F134 HydrophobicContact CB-CE2 4.21Å; L121-F134 HydrophobicContact CD2-CE2 4.29Å
122E98.9Very high98.4Very high47 Ų4747.1 Ų47.122%0.2227%0.266CS..EExtended strand (participates in β ladder)trans-112124.4165.3-174.2-175.790.400108.7W110 T111 W113 R124 V129 A130 K131W110-E122 CarbonylContact C-O 3.59Å; W110-E122 WeakPolarHBondContact CA-O 3.48Å; W110-E122 VanDerWaalsContact CB-O 3.3Å; W110-E122 WeakPolarHBondContact CB-O 3.34Å; T111-E122 PolarHBondContact N-O 2.67Å; T111-E122 PolarHBondContact O-N 3.01Å; W113-E122 HydrophobicContact CH2-CB 4.28Å; W113-E122 HydrophobicContact CZ3-CB 3.9Å; E122-R124 HydrophobicContact CG-CG 4.38Å; E122-R124 IonicContact OE1-CZ 2.95Å; E122-R124 IonicContact OE1-NH1 3.42Å; E122-R124 PolarHBondContact OE1-NH1 3.37Å; E122-V129 HydrophobicContact CG-CG1 3.38Å; E122-A130 CarbonylContact C-O 3.55Å; E122-A130 WeakPolarHBondContact CA-O 3.39Å; E122-K131 HydrophobicContact CG-CG 4.3Å; E122-K131 WeakPolarHBondContact OE2-CE 3.4Å
123M98.8Very high98.4Very high19 Ų1947.7 Ų47.79%0.09427%0.269CS..EExtended strand (participates in β ladder)trans-109.4139.6177-63.8169.8-70.500109.3M18 Y21 W110 L121 V129 A130 Q132M18-M123 HydrophobicContact CE-CE 4.1Å; M18-M123 HydrophobicContact CE-SD 4.43Å; M18-M123 HydrophobicContact SD-CE 3.45Å; M18-M123 WeakPolarHBondContact SD-CE 3.31Å; M18-M123 HydrophobicContact SD-SD 4.48Å; Y21-M123 HydrophobicContact CD2-CB 4.08Å; Y21-M123 HydrophobicContact CE1-CB 4.25Å; Y21-M123 HydrophobicContact CE1-SD 4.21Å; Y21-M123 HydrophobicContact CE2-CB 3.65Å; W110-M123 HydrophobicContact CB-CG 4.24Å; L121-M123 HydrophobicContact CD1-CG 4Å; L121-M123 HydrophobicContact CD2-CE 4.4Å; L121-M123 HydrophobicContact CD2-CG 4.03Å; L121-M123 HydrophobicContact CD2-SD 3.97Å; L121-M123 HydrophobicContact CG-CG 3.86Å; L121-M123 HydrophobicContact CG-SD 4.4Å; M123-V129 CarbonylContact O-C 3.58Å; M123-V129 WeakPolarHBondContact O-CA 3.26Å; M123-A130 HydrophobicContact CE-CB 4.13Å; M123-A130 PolarHBondContact N-O 2.82Å; M123-A130 PolarHBondContact O-N 3.3Å; M123-Q132 HydrophobicContact CE-CG 4.01Å
124R98.8Very high98.4Very high53 Ų5345.8 Ų45.820%0.226%0.262CS..EExtended strand (participates in β ladder)trans-134140.6-173-60.7174.2-67.1-84.6-2.1110.8G107 R108 G109 W110 T111 E122 I128 V129G107-R124 CarbonylContact O-C 3.52Å; R108-R124 CarbonylContact C-O 3.58Å; R108-R124 VanDerWaalsContact CA-O 3.28Å; R108-R124 WeakPolarHBondContact CA-O 3.37Å; G109-R124 PolarHBondContact N-O 2.92Å; G109-R124 PolarHBondContact O-N 2.98Å; W110-R124 PolarHBondContact O-NH2 2.94Å; T111-R124 VanDerWaalsContact OG1-CZ 3.28Å; T111-R124 PolarHBondContact OG1-NH1 2.79Å; T111-R124 PolarHBondContact OG1-NH2 3.07Å; E122-R124 HydrophobicContact CG-CG 4.38Å; E122-R124 IonicContact OE1-CZ 2.95Å; E122-R124 IonicContact OE1-NH1 3.42Å; E122-R124 PolarHBondContact OE1-NH1 3.37Å; R124-I128 VanDerWaalsContact CA-O 3.28Å; R124-I128 WeakPolarHBondContact CA-O 3.29Å; R124-V129 HydrophobicContact CG-CG2 4.26Å
125V98.8Very high98.4Very high0 Ų046.3 Ų46.30%026%0.263CS..EExtended strand (participates in β ladder)trans-163.1134.9169.1660000109.6Y21 A24 L25 K105 R108 G127 I128Y21-V125 HydrophobicContact CD2-CB 4.44Å; Y21-V125 HydrophobicContact CD2-CG1 3.57Å; Y21-V125 HydrophobicContact CE2-CB 3.98Å; Y21-V125 HydrophobicContact CE2-CG1 3.53Å; Y21-V125 HydrophobicContact CG-CG1 4.45Å; A24-V125 HydrophobicContact CB-CG1 3.72Å; L25-V125 HydrophobicContact CD2-CB 4.26Å; L25-V125 HydrophobicContact CD2-CG1 4.16Å; L25-V125 HydrophobicContact CD2-CG2 3.82Å; L25-V125 HydrophobicContact CG-CG1 4.22Å; K105-V125 HydrophobicContact CB-CG2 3.63Å; K105-V125 HydrophobicContact CG-CG2 4.26Å; R108-V125 HydrophobicContact CB-CB 4.46Å; R108-V125 HydrophobicContact CB-CG2 4.06Å; R108-V125 HydrophobicContact CG-CB 4.4Å; R108-V125 HydrophobicContact CG-CG2 4.18Å; V125-G127 PolarHBondContact O-N 3.28Å; V125-G127 VanDerWaalsContact O-N 3.11Å; V125-I128 PolarHBondContact N-O 2.7Å; V125-I128 WeakPolarHBondContact O-CA 3.46Å; V125-I128 WeakPolarHBondContact O-CB 3.48Å; V125-I128 PolarHBondContact O-N 3.07Å
126L98.2Very high98.5Very high89 Ų8944.3 Ų44.347%0.46625%0.253SS..THydrogen-bonded Turntrans50.736.7179.5-57.4177.1000114K105 E106 I128K105-L126 HydrophobicContact CD-CD1 3.97Å; K105-L126 HydrophobicContact CD-CG 4.38Å; E106-L126 HydrophobicContact CB-CD2 3.91Å; E106-L126 PolarHBondContact O-N 2.87Å; L126-I128 PolarHBondContact O-N 2.9Å
127G97.9Very high98.5Very high74 Ų7442.5 Ų42.576%0.76323%0.231SC*.THydrogen-bonded Turntrans74.3-6.2-176.100000115.3V125V125-G127 PolarHBondContact O-N 3.28Å; V125-G127 VanDerWaalsContact O-N 3.11Å
128I98.6Very high97.6Very high55 Ų5548.5 Ų48.528%0.28226%0.262SS..EExtended strand (participates in β ladder)trans-79.1138.8172.6-56.6-57.5000109.6T20 A24 R124 V125 L126T20-I128 HydrophobicContact CG2-CD1 4.24Å; T20-I128 HydrophobicContact CG2-CG2 3.8Å; A24-I128 HydrophobicContact CB-CG1 4.18Å; R124-I128 VanDerWaalsContact CA-O 3.28Å; R124-I128 WeakPolarHBondContact CA-O 3.29Å; V125-I128 PolarHBondContact N-O 2.7Å; V125-I128 WeakPolarHBondContact O-CA 3.46Å; V125-I128 WeakPolarHBondContact O-CB 3.48Å; V125-I128 PolarHBondContact O-N 3.07Å; L126-I128 PolarHBondContact O-N 2.9Å
129V98.8Very high97.6Very high54 Ų5447.4 Ų47.433%0.32726%0.26SS..EExtended strand (participates in β ladder)trans-122.4130.6179.4-175.70000110.1N17 E122 M123 R124 K131N17-V129 WeakPolarHBondContact CB-O 3.16Å; N17-V129 PolarHBondContact ND2-O 2.86Å; E122-V129 HydrophobicContact CG-CG1 3.38Å; M123-V129 CarbonylContact O-C 3.58Å; M123-V129 WeakPolarHBondContact O-CA 3.26Å; R124-V129 HydrophobicContact CG-CG2 4.26Å; V129-K131 HydrophobicContact CG1-CG 4.42Å
130A98.8Very high97.5Very high1 Ų149.9 Ų49.91%0.00827%0.274CS..EExtended strand (participates in β ladder)trans-120150.3166.700000110.2D16 M18 Y21 E122 M123D16-A130 WeakPolarHBondContact O-CA 3.47Å; D16-A130 WeakPolarHBondContact O-CB 3.43Å; M18-A130 HydrophobicContact SD-CB 4.23Å; Y21-A130 HydrophobicContact CD2-CB 4.4Å; Y21-A130 HydrophobicContact CG-CB 3.94Å; E122-A130 CarbonylContact C-O 3.55Å; E122-A130 WeakPolarHBondContact CA-O 3.39Å; M123-A130 HydrophobicContact CE-CB 4.13Å; M123-A130 PolarHBondContact N-O 2.82Å; M123-A130 PolarHBondContact O-N 3.3Å
131K98.8Very high97.5Very high100 Ų10051.4 Ų51.444%0.43528%0.283SS..EExtended strand (participates in β ladder)trans-126.7143.9-177.5-67-179.2179.9178.20111Q15 D16 L121 E122 V129Q15-K131 CarbonylContact C-O 3.52Å; Q15-K131 WeakPolarHBondContact CA-O 3.28Å; D16-K131 HydrophobicContact CB-CB 4.49Å; D16-K131 PolarHBondContact N-O 3.23Å; D16-K131 PolarHBondContact O-N 2.82Å; L121-K131 CarbonylContact O-C 3.45Å; L121-K131 WeakPolarHBondContact O-CA 3.33Å; E122-K131 HydrophobicContact CG-CG 4.3Å; E122-K131 WeakPolarHBondContact OE2-CE 3.4Å; V129-K131 HydrophobicContact CG1-CG 4.42Å
132Q98.8Very high97.4Very high16 Ų1654.1 Ų54.18%0.07530%0.298CS..EExtended strand (participates in β ladder)trans-135.4144.6171.3-72.2178.7-26.600109.4L12 E14 Q15 L121 M123 F134L12-Q132 HydrophobicContact CD1-CB 3.71Å; L12-Q132 HydrophobicContact CD1-CG 3.81Å; E14-Q132 CarbonylContact O-C 3.58Å; E14-Q132 VanDerWaalsContact O-CA 3.31Å; E14-Q132 WeakPolarHBondContact O-CA 3.43Å; Q15-Q132 HydrophobicContact CB-CG 4.22Å; Q15-Q132 HydrophobicContact CG-CG 3.99Å; L121-Q132 HydrophobicContact CB-CB 4.22Å; L121-Q132 PolarHBondContact N-O 2.86Å; L121-Q132 PolarHBondContact O-N 3.29Å; M123-Q132 HydrophobicContact CE-CG 4.01Å; Q132-F134 HydrophobicContact CB-CD2 4.35Å; Q132-F134 HydrophobicContact CB-CE2 3.53Å; Q132-F134 HydrophobicContact CB-CZ 4.01Å; Q132-F134 VanDerWaalsContact OE1-CZ 3.27Å
133V98.8Very high97.3Very high14 Ų1454.5 Ų54.59%0.08530%0.303CS..EExtended strand (participates in β ladder)trans-124.9133172.7-172.40000108V13 E14 K118V13-V133 HydrophobicContact CG2-CB 4.18Å; V13-V133 HydrophobicContact CG2-CG1 4.07Å; V13-V133 VanDerWaalsContact CG2-O 3.23Å; V13-V133 WeakPolarHBondContact CG2-O 3.28Å; V13-V133 PolarHBondContact N-O 2.84Å; E14-V133 HydrophobicContact CB-CB 4.01Å; E14-V133 HydrophobicContact CB-CG2 4.16Å; E14-V133 PolarHBondContact N-O 3.01Å; E14-V133 PolarHBondContact O-N 3.39Å; K118-V133 HydrophobicContact CB-CG1 4.09Å; K118-V133 HydrophobicContact CD-CG1 3.86Å; K118-V133 HydrophobicContact CG-CG1 4.25Å
134F98.8Very high97.2Very high0 Ų056.9 Ų56.90%032%0.317CS..EExtended strand (participates in β ladder)trans-120.4137.8179.2-54.9-107000110.1H11 L12 P40 K42 K118 L119 L121 Q132H11-F134 CarbonylContact O-C 3.6Å; H11-F134 WeakPolarHBondContact O-CA 3.5Å; L12-F134 HydrophobicContact CB-CD1 3.9Å; L12-F134 HydrophobicContact CB-CE1 3.8Å; L12-F134 HydrophobicContact CD1-CD1 4.13Å; L12-F134 HydrophobicContact CD1-CD2 4.42Å; L12-F134 HydrophobicContact CD1-CE1 3.72Å; L12-F134 HydrophobicContact CD1-CE2 4.05Å; L12-F134 HydrophobicContact CD1-CG 4.43Å; L12-F134 HydrophobicContact CD1-CZ 3.66Å; L12-F134 HydrophobicContact CG-CE1 4.39Å; P40-F134 HydrophobicContact CB-CE1 4.37Å; P40-F134 HydrophobicContact CG-CE1 4.11Å; P40-F134 HydrophobicContact CG-CZ 4.44Å; K42-F134 HydrophobicContact CD-CD1 4.39Å; K42-F134 HydrophobicContact CD-CD2 4.33Å; K42-F134 HydrophobicContact CD-CE1 4.07Å; K42-F134 HydrophobicContact CD-CE2 3.99Å; K42-F134 HydrophobicContact CD-CZ 3.87Å; K42-F134 HydrophobicContact CG-CD1 4.32Å; K42-F134 HydrophobicContact CG-CE1 3.98Å; K42-F134 HydrophobicContact CG-CZ 4.24Å; K118-F134 CarbonylContact C-O 3.38Å; K118-F134 VanDerWaalsContact CA-O 3.28Å; K118-F134 WeakPolarHBondContact CA-O 3.17Å; L119-F134 HydrophobicContact CB-CB 4.28Å; L119-F134 PolarHBondContact N-O 3.38Å; L119-F134 PolarHBondContact O-N 3.47Å; L121-F134 HydrophobicContact CB-CE2 4.21Å; L121-F134 HydrophobicContact CD2-CE2 4.29Å; Q132-F134 HydrophobicContact CB-CD2 4.35Å; Q132-F134 HydrophobicContact CB-CE2 3.53Å; Q132-F134 HydrophobicContact CB-CZ 4.01Å; Q132-F134 VanDerWaalsContact OE1-CZ 3.27Å
135Q98.6Very high97.1Very high65 Ų6557.1 Ų57.130%0.30433%0.325SS..EExtended strand (participates in β ladder)trans-90.2127173.8177.856.855.400109.4Y10 H11 V13 N117 A137Y10-Q135 CarbonylContact C-O 3.56Å; Y10-Q135 VanDerWaalsContact CA-O 3.28Å; Y10-Q135 WeakPolarHBondContact CA-O 3.35Å; H11-Q135 PolarHBondContact N-O 3.42Å; H11-Q135 PolarHBondContact O-N 3.43Å; V13-Q135 HydrophobicContact CG1-CB 3.6Å; V13-Q135 HydrophobicContact CG2-CB 4.41Å; N117-Q135 PolarHBondContact O-NE2 2.95Å; Q135-A137 PolarHBondContact O-N 3.02Å
136K98.5Very high97Very high68 Ų6861.5 Ų61.530%0.29635%0.35SS..EExtended strand (participates in β ladder)trans-61.8131.2172.4-165.1171.6-174.6163.50109.5T7 T9 Y10 N117T7-K136 PolarHBondContact O-NZ 2.82Å; T9-K136 CarbonylContact O-C 3.51Å; T9-K136 WeakPolarHBondContact O-CA 3.46Å; Y10-K136 HydrophobicContact CD1-CB 3.68Å; Y10-K136 HydrophobicContact CD1-CG 4.02Å; Y10-K136 HydrophobicContact CE1-CB 3.64Å; Y10-K136 HydrophobicContact CE1-CD 3.89Å; Y10-K136 HydrophobicContact CE1-CG 3.67Å; N117-K136 HydrophobicContact CB-CB 4.31Å; N117-K136 WeakPolarHBondContact O-CB 3.01Å; N117-K136 PolarHBondContact O-N 3.42Å
137A96.2Very high96.8Very high35 Ų3559.3 Ų59.329%0.28934%0.341SS..PPolyproline II helixtrans-64.2143.6171.200000109.5T9 Q135T9-A137 HydrophobicContact CG2-CB 4.33Å; T9-A137 PolarHBondContact O-N 2.85Å; Q135-A137 PolarHBondContact O-N 3.02Å
138N79.7Confident96.8Very high229 Ų22957.9 Ų57.9100%1.22530%0.302SS*.  trans-67.40177.4-65.4-27.2000111.7

Retrieved 138 of 138 residues in 48.1 ms (Link to these results)

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