A0A060YVD1_ONCMY Loading...

Retinol binding protein 1a, cellular

AlphaFold DB , UniProt , Accession A0A060YVD1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110509624, 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
1M59.9Low92.3Very high221 Ų22168.5 Ų68.5100%1.08938%0.377SS*.  0142.70-69.8-174-80.900107.9
2S82.8Confident92.8Very high113 Ų11364.8 Ų64.879%0.7936%0.355SS*.PPolyproline II helixtrans-66.8146.1173.548.30000110
3K90.8Very high93.2Very high93 Ų9366.2 Ų66.240%0.40437%0.367SS..PPolyproline II helixtrans-60.3145.8174.7-66.6-59.6-166.3-178.50110.9W92 G94K3-W92 HydrophobicContact CB-CH2 3.95Å; K3-W92 HydrophobicContact CB-CZ2 3.73Å; K3-W92 HydrophobicContact CB-CZ3 4.45Å; K3-W92 HydrophobicContact CD-CD2 3.77Å; K3-W92 HydrophobicContact CD-CE3 3.99Å; K3-W92 HydrophobicContact CD-CG 4.1Å; K3-W92 HydrophobicContact CD-CZ3 4.43Å; K3-W92 HydrophobicContact CG-CD2 4.18Å; K3-W92 HydrophobicContact CG-CZ2 4.16Å; K3-G94 PolarHBondContact NZ-O 3.12Å
4P95Very high93.6Very high33 Ų3365.6 Ų65.621%0.21437%0.369CS..PPolyproline II helixtrans-61144.8177.6-22.431.9000113.1Y6 H46 W92 D95 L114P4-Y6 HydrophobicContact CB-CD2 4.46Å; P4-Y6 HydrophobicContact CB-CE2 3.96Å; P4-H46 PolarHBondContact O-CE1 2.96Å; P4-W92 HydrophobicContact CG-CZ3 4.39Å; P4-W92 WeakPolarHBondContact O-CH2 3.44Å; P4-D95 HydrophobicContact CG-CB 4Å; P4-L114 HydrophobicContact CB-CD1 4Å
5N95.9Very high93.9Very high85 Ų8564.5 Ų64.546%0.45536%0.36SS..  trans-95.9112.7172.4-172.9-7.1000110.3T7 P48N5-T7 VanDerWaalsContact C-N 3.29Å; N5-T7 PolarHBondContact O-N 3.17Å; N5-T7 VanDerWaalsContact OD1-CB 3.24Å; N5-T7 WeakPolarHBondContact OD1-CB 3.49Å; N5-T7 PolarHBondContact OD1-N 2.78Å; N5-T7 PolarHBondContact OD1-OG1 3.02Å; N5-P48 HydrophobicContact CB-CG 4.45Å
6Y97.8Very high94.2Very high2 Ų266.8 Ų66.81%0.00837%0.371CS..  trans-81.2-1.8179.6-73.9-102000114.2P4 G8 F10 I44 H46 W92 D95 L97 H112 W113 L114 L119P4-Y6 HydrophobicContact CB-CD2 4.46Å; P4-Y6 HydrophobicContact CB-CE2 3.96Å; Y6-G8 PolarHBondContact O-N 3.41Å; Y6-F10 WeakPolarHBondContact O-CE2 3.32Å; Y6-I44 WeakPolarHBondContact O-CB 3.44Å; Y6-I44 WeakPolarHBondContact O-CG2 3.44Å; Y6-H46 PolarHBondContact N-ND1 2.73Å; Y6-W92 HydrophobicContact CD2-CH2 4.02Å; Y6-W92 AromaticContact CE2-CH2 3.56Å; Y6-W92 HydrophobicContact CE2-CH2 3.56Å; Y6-W92 AromaticContact CE2-CZ3 3.72Å; Y6-W92 HydrophobicContact CE2-CZ3 3.72Å; Y6-D95 PolarHBondContact OH-O 3.44Å; Y6-L97 HydrophobicContact CD1-CD1 4.18Å; Y6-L97 HydrophobicContact CD2-CD1 3.78Å; Y6-L97 HydrophobicContact CD2-CG 4.38Å; Y6-L97 HydrophobicContact CE1-CD1 4.12Å; Y6-L97 HydrophobicContact CE2-CD1 3.73Å; Y6-L97 HydrophobicContact CE2-CG 3.85Å; Y6-L97 HydrophobicContact CG-CD1 4.02Å; Y6-H112 HydrophobicContact CE1-CB 4.04Å; Y6-H112 PolarHBondContact OH-O 2.73Å; Y6-W113 WeakPolarHBondContact OH-CA 3.43Å; Y6-L114 HydrophobicContact CD1-CD1 4.15Å; Y6-L114 HydrophobicContact CD1-CD2 4.12Å; Y6-L114 HydrophobicContact CD1-CG 3.97Å; Y6-L114 HydrophobicContact CD2-CD1 4.3Å; Y6-L114 HydrophobicContact CE1-CD1 4.23Å; Y6-L114 HydrophobicContact CE1-CD2 4.19Å; Y6-L114 HydrophobicContact CE1-CG 3.73Å; Y6-L114 HydrophobicContact CE2-CD1 4.34Å; Y6-L114 HydrophobicContact CG-CD1 4.19Å; Y6-L114 HydrophobicContact CG-CG 4.5Å; Y6-L119 HydrophobicContact CD1-CD1 3.71Å; Y6-L119 HydrophobicContact CE1-CD1 3.78Å
7T98.3Very high94.4Very high52 Ų5266.3 Ų66.332%0.31937%0.368SS..  trans-59.7128.5-177.7-620000112N5 I44 H46 K136N5-T7 VanDerWaalsContact C-N 3.29Å; N5-T7 PolarHBondContact O-N 3.17Å; N5-T7 VanDerWaalsContact OD1-CB 3.24Å; N5-T7 WeakPolarHBondContact OD1-CB 3.49Å; N5-T7 PolarHBondContact OD1-N 2.78Å; N5-T7 PolarHBondContact OD1-OG1 3.02Å; T7-I44 WeakPolarHBondContact CA-O 3.49Å; T7-H46 PolarHBondContact OG1-N 3.32Å; T7-H46 PolarHBondContact OG1-O 3.05Å; T7-H46 VanDerWaalsContact OG1-O 3.13Å; T7-K136 PolarHBondContact O-NZ 3.37Å; T7-K136 VanDerWaalsContact O-NZ 3.11Å
8G98.3Very high94.6Very high15 Ų1564 Ų6416%0.15535%0.354CS..EExtended strand (participates in β ladder)trans158.8172.2178.500000113.8Y6 I44Y6-G8 PolarHBondContact O-N 3.41Å; G8-I44 PolarHBondContact N-O 3.07Å; G8-I44 PolarHBondContact O-N 3.18Å
9T98.8Very high94.8Very high47 Ų4763.6 Ų63.629%0.28835%0.349SS..EExtended strand (participates in β ladder)trans-100.6133.7167-60.60000108.1T41 K42 Q43 K136 A137T9-T41 HydrophobicContact CG2-CG2 3.61Å; T9-K42 CarbonylContact C-O 3.53Å; T9-K42 VanDerWaalsContact CA-O 3.32Å; T9-K42 WeakPolarHBondContact CA-O 3.46Å; T9-Q43 HydrophobicContact CG2-CG 4.31Å; T9-K136 CarbonylContact O-C 3.58Å; T9-K136 WeakPolarHBondContact O-CA 3.43Å; T9-A137 HydrophobicContact CG2-CB 4.22Å; T9-A137 PolarHBondContact O-N 2.97Å
10F98.8Very high95Very high3 Ų365.1 Ų65.11%0.01336%0.357CS..EExtended strand (participates in β ladder)trans-132.4127.7-177-57.3-99.1000110.8Y6 T41 K42 I44 L114 L119 F134 K135 K136Y6-F10 WeakPolarHBondContact O-CE2 3.32Å; F10-T41 CarbonylContact O-C 3.58Å; F10-T41 WeakPolarHBondContact O-CA 3.35Å; F10-K42 HydrophobicContact CB-CB 4.42Å; F10-K42 PolarHBondContact N-O 2.82Å; F10-K42 PolarHBondContact O-N 3.26Å; F10-I44 HydrophobicContact CD2-CD1 4.25Å; F10-I44 HydrophobicContact CD2-CG1 4.5Å; F10-I44 HydrophobicContact CE2-CD1 4.12Å; F10-I44 HydrophobicContact CE2-CG1 4.46Å; F10-L114 HydrophobicContact CE1-CD2 4.27Å; F10-L114 HydrophobicContact CZ-CD2 4.35Å; F10-L119 HydrophobicContact CB-CD2 4.28Å; F10-L119 HydrophobicContact CD1-CB 3.49Å; F10-L119 VanDerWaalsContact CD1-CB 3.49Å; F10-L119 HydrophobicContact CD1-CD2 4.27Å; F10-L119 HydrophobicContact CD2-CD2 3.99Å; F10-L119 HydrophobicContact CE1-CB 3.71Å; F10-L119 HydrophobicContact CE2-CD2 4.37Å; F10-L119 HydrophobicContact CG-CB 4.01Å; F10-L119 HydrophobicContact CG-CD2 3.94Å; F10-L119 HydrophobicContact CZ-CB 4.38Å; F10-F134 HydrophobicContact CB-CB 3.68Å; F10-F134 HydrophobicContact CB-CG 4.45Å; F10-K135 CarbonylContact C-O 3.49Å; F10-K135 VanDerWaalsContact CA-O 3.25Å; F10-K135 WeakPolarHBondContact CA-O 3.41Å; F10-K136 HydrophobicContact CD1-CB 3.76Å; F10-K136 HydrophobicContact CD1-CG 4.15Å; F10-K136 HydrophobicContact CE1-CB 3.67Å; F10-K136 HydrophobicContact CE1-CD 4.06Å; F10-K136 HydrophobicContact CE1-CG 3.81Å; F10-K136 HydrophobicContact CZ-CD 4.18Å; F10-K136 HydrophobicContact CZ-CG 4.17Å
11H98.6Very high95.2Very high90 Ų9062.7 Ų62.742%0.41734%0.342SS..EExtended strand (participates in β ladder)trans-100.1135.2179.4-59.4-61.8000110.7V13 T41 F134 K135H11-V13 PolarHBondContact O-N 3.18Å; H11-T41 PolarHBondContact ND1-OG1 2.88Å; H11-F134 CarbonylContact O-C 3.53Å; H11-F134 WeakPolarHBondContact O-CA 3.3Å; H11-K135 PolarHBondContact N-O 2.85Å; H11-K135 PolarHBondContact O-N 3.35Å
12M98.4Very high97Very high23 Ų2352.4 Ų52.411%0.11329%0.292CS..EExtended strand (participates in β ladder)trans-60.7131.4178.9179.8-179-8700111.3Q15 K39 P40 Q132 F134M12-Q15 HydrophobicContact CE-CB 4.32Å; M12-Q15 HydrophobicContact SD-CB 4.22Å; M12-K39 HydrophobicContact SD-CD 4Å; M12-P40 HydrophobicContact CB-CG 4.4Å; M12-P40 WeakPolarHBondContact CB-O 3.26Å; M12-P40 HydrophobicContact CE-CG 3.34Å; M12-P40 PolarHBondContact N-O 2.88Å; M12-P40 HydrophobicContact SD-CG 4.13Å; M12-Q132 HydrophobicContact CE-CB 4.23Å; M12-Q132 HydrophobicContact CE-CG 3.77Å; M12-Q132 VanDerWaalsContact CE-NE2 3.26Å; M12-F134 VanDerWaalsContact CA-CD1 3.49Å; M12-F134 HydrophobicContact CB-CD1 3.88Å; M12-F134 HydrophobicContact CB-CE1 3.78Å; M12-F134 HydrophobicContact CE-CE1 4.25Å; M12-F134 HydrophobicContact CE-CZ 3.99Å; M12-F134 HydrophobicContact CG-CE1 4.43Å
13V98.2Very high97.7Very high84 Ų8448.6 Ų48.651%0.50927%0.267SS..EExtended strand (participates in β ladder)trans-102.4-51.7174.7177.30000110.1H11 L133 K135H11-V13 PolarHBondContact O-N 3.18Å; V13-L133 HydrophobicContact CB-CB 4.46Å; V13-L133 HydrophobicContact CB-CD2 4.4Å; V13-L133 HydrophobicContact CB-CG 4.29Å; V13-L133 HydrophobicContact CG1-CD2 4.31Å; V13-L133 PolarHBondContact N-O 2.97Å; V13-K135 HydrophobicContact CG2-CB 3.61Å
14S98.3Very high98.1Very high57 Ų5745.5 Ų45.540%0.39926%0.259SS..EExtended strand (participates in β ladder)trans-145.2161.8-176.769.20000112Q132 L133S14-Q132 WeakPolarHBondContact O-CA 3.34Å; S14-L133 PolarHBondContact N-O 3.11Å; S14-L133 PolarHBondContact O-N 3.44Å; S14-L133 WeakPolarHBondContact OG-CB 3.37Å
15Q98.2Very high98.2Very high49 Ų4944 Ų4423%0.22925%0.249CC..EExtended strand (participates in β ladder)trans-148.7131.3-179.8170174.1-85.500108.2M12 F18 C36 R131 Q132M12-Q15 HydrophobicContact CE-CB 4.32Å; M12-Q15 HydrophobicContact SD-CB 4.22Å; Q15-F18 HydrophobicContact CG-CB 3.4Å; Q15-F18 HydrophobicContact CG-CD1 4.3Å; Q15-F18 HydrophobicContact CG-CG 4.08Å; Q15-C36 PolarHBondContact NE2-O 2.89Å; Q15-R131 CarbonylContact C-O 3.52Å; Q15-R131 WeakPolarHBondContact CA-O 3.34Å; Q15-Q132 HydrophobicContact CB-CG 4.2Å; Q15-Q132 HydrophobicContact CG-CG 4.14Å
16D98.5Very high98.3Very high101 Ų10144.7 Ų44.754%0.5425%0.253SS..EExtended strand (participates in β ladder)trans-128.8140.7-180-177.238.7000110.5F18 A130 R131D16-F18 PolarHBondContact O-N 3.16Å; D16-A130 WeakPolarHBondContact O-CA 3.38Å; D16-A130 WeakPolarHBondContact O-CB 3.45Å; D16-R131 PolarHBondContact N-O 3.24Å; D16-R131 PolarHBondContact O-N 3.37Å
17N98.4Very high98.2Very high59 Ų5945.2 Ų45.232%0.31626%0.256SS..SBendtrans53.716.1178-156.437.2000117E19 N20 Y21 V129N17-E19 PolarHBondContact O-N 2.89Å; N17-N20 PolarHBondContact O-N 2.9Å; N17-N20 WeakPolarHBondContact OD1-CB 3.4Å; N17-N20 PolarHBondContact OD1-ND2 3.24Å; N17-Y21 PolarHBondContact O-N 2.94Å; N17-V129 WeakPolarHBondContact CB-O 3.39Å; N17-V129 PolarHBondContact ND2-O 3.48Å
18F98.3Very high98.1Very high25 Ų2547.2 Ų47.211%0.1127%0.265CS..Hα-helixtrans-66.4-34.4-173.2-171.8-132.7000113.9Q15 D16 N20 Y21 L22 V35 M123 A130Q15-F18 HydrophobicContact CG-CB 3.4Å; Q15-F18 HydrophobicContact CG-CD1 4.3Å; Q15-F18 HydrophobicContact CG-CG 4.08Å; D16-F18 PolarHBondContact O-N 3.16Å; F18-N20 VanDerWaalsContact C-N 3.3Å; F18-N20 PolarHBondContact O-N 2.82Å; F18-Y21 AromaticContact CD2-CD1 3.85Å; F18-Y21 HydrophobicContact CD2-CD1 3.85Å; F18-Y21 AromaticContact CE2-CD1 3.81Å; F18-Y21 HydrophobicContact CE2-CD1 3.81Å; F18-Y21 HydrophobicContact CE2-CE1 4.19Å; F18-Y21 WeakPolarHBondContact O-CB 3.36Å; F18-Y21 PolarHBondContact O-N 3.3Å; F18-L22 HydrophobicContact CD1-CD1 3.86Å; F18-L22 HydrophobicContact CD1-CG 4.32Å; F18-L22 HydrophobicContact CD2-CG 4.27Å; F18-L22 HydrophobicContact CE1-CD1 3.8Å; F18-L22 HydrophobicContact CE1-CD2 4.29Å; F18-L22 HydrophobicContact CE1-CG 4.24Å; F18-L22 HydrophobicContact CE2-CD2 3.88Å; F18-L22 HydrophobicContact CE2-CG 4.11Å; F18-L22 HydrophobicContact CG-CD1 4.36Å; F18-L22 HydrophobicContact CG-CG 4.39Å; F18-L22 HydrophobicContact CZ-CD1 4.14Å; F18-L22 HydrophobicContact CZ-CD2 3.77Å; F18-L22 HydrophobicContact CZ-CG 4.12Å; F18-L22 VanDerWaalsContact O-CG 3.32Å; F18-L22 WeakPolarHBondContact O-CG 3.46Å; F18-L22 PolarHBondContact O-N 3.46Å; F18-V35 HydrophobicContact CE1-CG1 3.64Å; F18-V35 HydrophobicContact CZ-CG1 4.12Å; F18-M123 HydrophobicContact CD2-CE 3.57Å; F18-M123 HydrophobicContact CE2-CE 3.63Å; F18-M123 HydrophobicContact CE2-SD 4.03Å; F18-A130 HydrophobicContact CD2-CB 4.41Å
19E98.1Very high97.9Very high56 Ų5652.6 Ų52.626%0.26228%0.284SS..Hα-helixtrans-61.2-41177.5-174.6171.4-177.900112N17 L22 A23 R32 K33N17-E19 PolarHBondContact O-N 2.89Å; E19-L22 PolarHBondContact O-N 2.89Å; E19-A23 WeakPolarHBondContact O-CB 2.94Å; E19-A23 PolarHBondContact O-N 2.84Å; E19-R32 HydrophobicContact CG-CB 4.38Å; E19-K33 WeakPolarHBondContact OE1-CE 3.24Å; E19-K33 IonicContact OE1-NZ 3.45Å; E19-K33 PolarHBondContact OE1-NZ 2.82Å; E19-K33 IonicContact OE2-NZ 3.61Å; E19-K33 PolarHBondContact OE2-NZ 3.4Å
20N98.6Very high97.8Very high94 Ų9453.3 Ų53.350%0.50330%0.295SS..Hα-helixtrans-68.6-37.8177.6-70.6-26.9000111.4N17 F18 A23 A24 V128N17-N20 PolarHBondContact O-N 2.9Å; N17-N20 WeakPolarHBondContact OD1-CB 3.4Å; N17-N20 PolarHBondContact OD1-ND2 3.24Å; F18-N20 VanDerWaalsContact C-N 3.3Å; F18-N20 PolarHBondContact O-N 2.82Å; N20-A23 PolarHBondContact O-N 3.46Å; N20-A24 PolarHBondContact O-N 3.37Å; N20-V128 HydrophobicContact CB-CG1 4.24Å
21Y98.7Very high97.6Very high14 Ų1455.5 Ų55.56%0.05531%0.306CS..Hα-helixtrans-59.7-47.1172170.7-93.8000111.8N17 F18 A23 A24 L25 M123 V125 A130N17-Y21 PolarHBondContact O-N 2.94Å; F18-Y21 AromaticContact CD2-CD1 3.85Å; F18-Y21 HydrophobicContact CD2-CD1 3.85Å; F18-Y21 AromaticContact CE2-CD1 3.81Å; F18-Y21 HydrophobicContact CE2-CD1 3.81Å; F18-Y21 HydrophobicContact CE2-CE1 4.19Å; F18-Y21 WeakPolarHBondContact O-CB 3.36Å; F18-Y21 PolarHBondContact O-N 3.3Å; Y21-A23 VanDerWaalsContact C-N 3.29Å; Y21-A23 PolarHBondContact O-N 2.87Å; Y21-A24 PolarHBondContact O-N 2.77Å; Y21-L25 HydrophobicContact CD1-CD1 4.17Å; Y21-L25 HydrophobicContact CE1-CD1 3.51Å; Y21-L25 HydrophobicContact CE1-CG 4.45Å; Y21-L25 PolarHBondContact O-N 3.01Å; Y21-M123 HydrophobicContact CD2-CB 4.04Å; Y21-M123 HydrophobicContact CE1-CB 4.28Å; Y21-M123 HydrophobicContact CE1-SD 4.18Å; Y21-M123 HydrophobicContact CE2-CB 3.67Å; Y21-V125 HydrophobicContact CD2-CB 4.44Å; Y21-V125 HydrophobicContact CD2-CG1 3.62Å; Y21-V125 HydrophobicContact CE2-CB 4.07Å; Y21-V125 HydrophobicContact CE2-CG1 3.68Å; Y21-V125 HydrophobicContact CG-CG1 4.5Å; Y21-A130 HydrophobicContact CD2-CB 4.5Å; Y21-A130 HydrophobicContact CG-CB 4.05Å
22L98.1Very high97.5Very high5 Ų553.3 Ų53.33%0.02629%0.294CS..Hα-helixtrans-64.7-34.7176.4-62.5172.3000112F18 E19 L25 I27 R32 V35F18-L22 HydrophobicContact CD1-CD1 3.86Å; F18-L22 HydrophobicContact CD1-CG 4.32Å; F18-L22 HydrophobicContact CD2-CG 4.27Å; F18-L22 HydrophobicContact CE1-CD1 3.8Å; F18-L22 HydrophobicContact CE1-CD2 4.29Å; F18-L22 HydrophobicContact CE1-CG 4.24Å; F18-L22 HydrophobicContact CE2-CD2 3.88Å; F18-L22 HydrophobicContact CE2-CG 4.11Å; F18-L22 HydrophobicContact CG-CD1 4.36Å; F18-L22 HydrophobicContact CG-CG 4.39Å; F18-L22 HydrophobicContact CZ-CD1 4.14Å; F18-L22 HydrophobicContact CZ-CD2 3.77Å; F18-L22 HydrophobicContact CZ-CG 4.12Å; F18-L22 VanDerWaalsContact O-CG 3.32Å; F18-L22 WeakPolarHBondContact O-CG 3.46Å; F18-L22 PolarHBondContact O-N 3.46Å; E19-L22 PolarHBondContact O-N 2.89Å; L22-L25 PolarHBondContact O-N 2.76Å; L22-I27 HydrophobicContact CB-CB 4.34Å; L22-I27 HydrophobicContact CB-CD1 4.05Å; L22-I27 HydrophobicContact CD2-CD1 3.49Å; L22-I27 VanDerWaalsContact CD2-CD1 3.49Å; L22-I27 HydrophobicContact CG-CD1 4.34Å; L22-I27 WeakPolarHBondContact O-CB 3.39Å; L22-I27 PolarHBondContact O-N 2.87Å; L22-I27 VanDerWaalsContact O-N 3.12Å; L22-R32 HydrophobicContact CB-CB 4.43Å; L22-R32 HydrophobicContact CB-CG 3.73Å; L22-R32 HydrophobicContact CD1-CB 4.29Å; L22-R32 HydrophobicContact CD1-CG 4.36Å; L22-V35 HydrophobicContact CD1-CB 4.06Å; L22-V35 HydrophobicContact CD1-CG1 3.73Å; L22-V35 HydrophobicContact CD2-CG1 4.44Å
23A98.2Very high97.4Very high33 Ų3356.3 Ų56.327%0.27331%0.307SS..Hα-helixtrans-65.6-40.4175.700000111.8E19 N20 Y21 L25 D26 R32E19-A23 WeakPolarHBondContact O-CB 2.94Å; E19-A23 PolarHBondContact O-N 2.84Å; N20-A23 PolarHBondContact O-N 3.46Å; Y21-A23 VanDerWaalsContact C-N 3.29Å; Y21-A23 PolarHBondContact O-N 2.87Å; A23-L25 PolarHBondContact O-N 2.8Å; A23-D26 WeakPolarHBondContact O-CA 3.37Å; A23-D26 PolarHBondContact O-N 2.77Å; A23-R32 VanDerWaalsContact N-CD 3.29Å
24A98.2Very high97.2Very high29 Ų2955.8 Ų55.824%0.2430%0.3CS..Hα-helixtrans-65.9-21.7175.200000113.2N20 Y21 D26 K105 V125 V128N20-A24 PolarHBondContact O-N 3.37Å; Y21-A24 PolarHBondContact O-N 2.77Å; A24-D26 VanDerWaalsContact C-N 3.27Å; A24-K105 WeakPolarHBondContact O-CE 3.25Å; A24-K105 PolarHBondContact O-NZ 2.79Å; A24-V125 HydrophobicContact CB-CG1 3.59Å; A24-V128 HydrophobicContact CB-CB 4.24Å; A24-V128 HydrophobicContact CB-CG2 3.96Å
25L98.1Very high97.1Very high1 Ų154.6 Ų54.61%0.00529%0.291CS..THydrogen-bonded Turntrans-83.36.3168.8-65176.4000113.9Y21 L22 A23 I27 R84 K105 V125Y21-L25 HydrophobicContact CD1-CD1 4.17Å; Y21-L25 HydrophobicContact CE1-CD1 3.51Å; Y21-L25 HydrophobicContact CE1-CG 4.45Å; Y21-L25 PolarHBondContact O-N 3.01Å; L22-L25 PolarHBondContact O-N 2.76Å; A23-L25 PolarHBondContact O-N 2.8Å; L25-I27 HydrophobicContact CB-CD1 4.17Å; L25-I27 HydrophobicContact CB-CG1 4.15Å; L25-I27 HydrophobicContact CD1-CD1 4.34Å; L25-I27 PolarHBondContact O-N 2.95Å; L25-R84 PolarHBondContact O-NH1 2.91Å; L25-K105 HydrophobicContact CD2-CG 4.22Å; L25-V125 HydrophobicContact CD2-CB 4.23Å; L25-V125 HydrophobicContact CD2-CG1 4.25Å; L25-V125 HydrophobicContact CD2-CG2 3.92Å; L25-V125 HydrophobicContact CG-CG1 4.3Å
26D97Very high97Very high99 Ų9953.6 Ų53.653%0.52929%0.288SS..THydrogen-bonded Turntrans60.821-175.7-40.5-48.8000115A23 A24 N28 R84 K105A23-D26 WeakPolarHBondContact O-CA 3.37Å; A23-D26 PolarHBondContact O-N 2.77Å; A24-D26 VanDerWaalsContact C-N 3.27Å; D26-N28 PolarHBondContact O-N 2.86Å; D26-R84 IonicContact OD2-CZ 3.69Å; D26-R84 IonicContact OD2-NH2 3.03Å; D26-R84 PolarHBondContact OD2-NH2 2.83Å; D26-K105 IonicContact OD1-NZ 3.75Å; D26-K105 PolarHBondContact OD1-NZ 3.12Å; D26-K105 WeakPolarHBondContact OD2-CE 3.45Å; D26-K105 IonicContact OD2-NZ 2.95Å; D26-K105 PolarHBondContact OD2-NZ 3.12Å
27I96.4Very high96.9Very high13 Ų1355.3 Ų55.37%0.06730%0.295CS..  trans-67.9130.1175.7-64.3171.3000108.3L22 L25 L31 R32 D82L22-I27 HydrophobicContact CB-CB 4.34Å; L22-I27 HydrophobicContact CB-CD1 4.05Å; L22-I27 HydrophobicContact CD2-CD1 3.49Å; L22-I27 VanDerWaalsContact CD2-CD1 3.49Å; L22-I27 HydrophobicContact CG-CD1 4.34Å; L22-I27 WeakPolarHBondContact O-CB 3.39Å; L22-I27 PolarHBondContact O-N 2.87Å; L22-I27 VanDerWaalsContact O-N 3.12Å; L25-I27 HydrophobicContact CB-CD1 4.17Å; L25-I27 HydrophobicContact CB-CG1 4.15Å; L25-I27 HydrophobicContact CD1-CD1 4.34Å; L25-I27 PolarHBondContact O-N 2.95Å; I27-L31 HydrophobicContact CG2-CB 4Å; I27-L31 HydrophobicContact CG2-CD2 3.85Å; I27-L31 HydrophobicContact CG2-CG 3.86Å; I27-R32 HydrophobicContact CB-CG 3.92Å; I27-R32 HydrophobicContact CG2-CG 3.66Å; I27-R32 VanDerWaalsContact O-CD 3.28Å; I27-R32 WeakPolarHBondContact O-CD 3.36Å; I27-R32 WeakPolarHBondContact O-CG 3.48Å; I27-R32 PolarHBondContact O-NH1 2.98Å; I27-D82 HydrophobicContact CD1-CB 4.3Å; I27-D82 HydrophobicContact CG1-CB 4.15Å
28N96Very high96.7Very high95 Ų9553.5 Ų53.551%0.50829%0.285SS..  trans-61.8149.7-175.273.474.7000112.8D26 A30 L31 R32D26-N28 PolarHBondContact O-N 2.86Å; N28-A30 PolarHBondContact O-N 2.83Å; N28-A30 PolarHBondContact OD1-N 2.95Å; N28-L31 PolarHBondContact O-N 2.83Å; N28-L31 VanDerWaalsContact O-N 3.16Å; N28-L31 WeakPolarHBondContact OD1-CB 3.3Å; N28-L31 PolarHBondContact OD1-N 3.31Å; N28-R32 WeakPolarHBondContact O-CG 3.32Å; N28-R32 PolarHBondContact O-N 2.77Å
29F94.9Very high96.6Very high128 Ų12858.8 Ų58.856%0.56131%0.308SS*.Hα-helixtrans-52.5-46.3-172.1178-99.4000114.1R32 K33F29-R32 PolarHBondContact O-N 3.05Å; F29-K33 HydrophobicContact CE1-CG 4.22Å; F29-K33 VanDerWaalsContact CE2-CE 3.45Å; F29-K33 HydrophobicContact CZ-CD 4.4Å; F29-K33 HydrophobicContact CZ-CG 4.18Å; F29-K33 PolarHBondContact O-N 2.92Å; F29-K33 VanDerWaalsContact O-N 3.14Å
30A95.5Very high96.6Very high62 Ų6256.6 Ų56.651%0.51230%0.299SS..Hα-helixtrans-62.8-46.3-178.600000111.6N28 R32 K33 I34N28-A30 PolarHBondContact O-N 2.83Å; N28-A30 PolarHBondContact OD1-N 2.95Å; A30-R32 VanDerWaalsContact C-N 3.34Å; A30-R32 PolarHBondContact O-N 3.13Å; A30-K33 PolarHBondContact O-N 2.86Å; A30-I34 PolarHBondContact O-N 2.91Å
31L94.7Very high96.6Very high49 Ų4953.6 Ų53.626%0.25728%0.284SS..Hα-helixtrans-63.3-39.7177-177.656.4000111.6I27 N28 K33 I34 V35 F61I27-L31 HydrophobicContact CG2-CB 4Å; I27-L31 HydrophobicContact CG2-CD2 3.85Å; I27-L31 HydrophobicContact CG2-CG 3.86Å; N28-L31 PolarHBondContact O-N 2.83Å; N28-L31 VanDerWaalsContact O-N 3.16Å; N28-L31 WeakPolarHBondContact OD1-CB 3.3Å; N28-L31 PolarHBondContact OD1-N 3.31Å; L31-K33 VanDerWaalsContact C-N 3.31Å; L31-K33 PolarHBondContact O-N 2.9Å; L31-I34 PolarHBondContact O-N 3.47Å; L31-V35 HydrophobicContact CD1-CG2 3.89Å; L31-V35 HydrophobicContact CG-CG2 4.19Å; L31-V35 WeakPolarHBondContact O-CB 3.24Å; L31-V35 VanDerWaalsContact O-CG2 3.3Å; L31-V35 WeakPolarHBondContact O-CG2 3.45Å; L31-V35 PolarHBondContact O-N 3.33Å; L31-F61 HydrophobicContact CD1-CE1 4.01Å; L31-F61 HydrophobicContact CD1-CZ 4.37Å
32R96.7Very high96.6Very high43 Ų4353.7 Ų53.716%0.16229%0.285CS..Hα-helixtrans-58.5-43175.9-63.2-166.3-52.8-106.313.1112.2E19 L22 A23 I27 N28 F29 A30 V35 C36E19-R32 HydrophobicContact CG-CB 4.38Å; L22-R32 HydrophobicContact CB-CB 4.43Å; L22-R32 HydrophobicContact CB-CG 3.73Å; L22-R32 HydrophobicContact CD1-CB 4.29Å; L22-R32 HydrophobicContact CD1-CG 4.36Å; A23-R32 VanDerWaalsContact N-CD 3.29Å; I27-R32 HydrophobicContact CB-CG 3.92Å; I27-R32 HydrophobicContact CG2-CG 3.66Å; I27-R32 VanDerWaalsContact O-CD 3.28Å; I27-R32 WeakPolarHBondContact O-CD 3.36Å; I27-R32 WeakPolarHBondContact O-CG 3.48Å; I27-R32 PolarHBondContact O-NH1 2.98Å; N28-R32 WeakPolarHBondContact O-CG 3.32Å; N28-R32 PolarHBondContact O-N 2.77Å; F29-R32 PolarHBondContact O-N 3.05Å; A30-R32 VanDerWaalsContact C-N 3.34Å; A30-R32 PolarHBondContact O-N 3.13Å; R32-V35 PolarHBondContact O-N 3.33Å; R32-C36 WeakPolarHBondContact O-CB 3.39Å; R32-C36 PolarHBondContact O-N 3.37Å; R32-C36 PolarHBondContact O-SG 2.79Å
33K95.8Very high96.6Very high87 Ų8757 Ų5738%0.37830%0.3SS..Hα-helixtrans-62.1-44.1178-67.4-55.3-172.4-172.40111.8E19 F29 A30 L31 C36 M37E19-K33 WeakPolarHBondContact OE1-CE 3.24Å; E19-K33 IonicContact OE1-NZ 3.45Å; E19-K33 PolarHBondContact OE1-NZ 2.82Å; E19-K33 IonicContact OE2-NZ 3.61Å; E19-K33 PolarHBondContact OE2-NZ 3.4Å; F29-K33 HydrophobicContact CE1-CG 4.22Å; F29-K33 VanDerWaalsContact CE2-CE 3.45Å; F29-K33 HydrophobicContact CZ-CD 4.4Å; F29-K33 HydrophobicContact CZ-CG 4.18Å; F29-K33 PolarHBondContact O-N 2.92Å; F29-K33 VanDerWaalsContact O-N 3.14Å; A30-K33 PolarHBondContact O-N 2.86Å; L31-K33 VanDerWaalsContact C-N 3.31Å; L31-K33 PolarHBondContact O-N 2.9Å; K33-C36 PolarHBondContact O-N 3.18Å; K33-M37 WeakPolarHBondContact O-CG 3.36Å; K33-M37 PolarHBondContact O-N 3.25Å
34I95.2Very high96.6Very high72 Ų7255.7 Ų55.737%0.36929%0.288SS..Hα-helixtrans-60.3-52.3176-64.3170.2000110.3A30 L31 C36 M37A30-I34 PolarHBondContact O-N 2.91Å; L31-I34 PolarHBondContact O-N 3.47Å; I34-C36 VanDerWaalsContact C-N 3.3Å; I34-C36 PolarHBondContact O-N 2.68Å; I34-M37 PolarHBondContact O-N 3.36Å; I34-M37 VanDerWaalsContact O-N 3.12Å
35V94.9Very high96.7Very high33 Ų3358.8 Ų58.820%0.230%0.304CS..Hα-helixtrans-62.3-36.5-176.7172.30000111.9F18 L22 L31 R32 M37 L38F18-V35 HydrophobicContact CE1-CG1 3.64Å; F18-V35 HydrophobicContact CZ-CG1 4.12Å; L22-V35 HydrophobicContact CD1-CB 4.06Å; L22-V35 HydrophobicContact CD1-CG1 3.73Å; L22-V35 HydrophobicContact CD2-CG1 4.44Å; L31-V35 HydrophobicContact CD1-CG2 3.89Å; L31-V35 HydrophobicContact CG-CG2 4.19Å; L31-V35 WeakPolarHBondContact O-CB 3.24Å; L31-V35 VanDerWaalsContact O-CG2 3.3Å; L31-V35 WeakPolarHBondContact O-CG2 3.45Å; L31-V35 PolarHBondContact O-N 3.33Å; R32-V35 PolarHBondContact O-N 3.33Å; V35-M37 VanDerWaalsContact C-N 3.26Å; V35-M37 PolarHBondContact O-N 2.77Å; V35-L38 WeakPolarHBondContact O-CB 3.34Å; V35-L38 PolarHBondContact O-N 2.77Å
36C96.7Very high96.7Very high27 Ų2759.2 Ų59.218%0.18231%0.306CS..Hα-helixtrans-68-22.1178-71.20000114.2Q15 R32 K33 I34Q15-C36 PolarHBondContact NE2-O 2.89Å; R32-C36 WeakPolarHBondContact O-CB 3.39Å; R32-C36 PolarHBondContact O-N 3.37Å; R32-C36 PolarHBondContact O-SG 2.79Å; K33-C36 PolarHBondContact O-N 3.18Å; I34-C36 VanDerWaalsContact C-N 3.3Å; I34-C36 PolarHBondContact O-N 2.68Å
37M95.7Very high96.6Very high137 Ų13757.5 Ų57.568%0.67530%0.297SS*.Hα-helixtrans-81.7-16.5175.8-66.9-175.8-68.300112.8K33 I34 V35K33-M37 WeakPolarHBondContact O-CG 3.36Å; K33-M37 PolarHBondContact O-N 3.25Å; I34-M37 PolarHBondContact O-N 3.36Å; I34-M37 VanDerWaalsContact O-N 3.12Å; V35-M37 VanDerWaalsContact C-N 3.26Å; V35-M37 PolarHBondContact O-N 2.77Å
38L95.6Very high96.4Very high22 Ų2260.2 Ų60.212%0.11532%0.315CS..  trans-69.1150.5-179-55.6178.1000111.3V35 P40 T59 T60 F61V35-L38 WeakPolarHBondContact O-CB 3.34Å; V35-L38 PolarHBondContact O-N 2.77Å; L38-P40 WeakPolarHBondContact O-CD 3.37Å; L38-T59 HydrophobicContact CD1-CG2 4.27Å; L38-T60 WeakPolarHBondContact CD2-OG1 3.32Å; L38-F61 HydrophobicContact CD1-CB 3.87Å; L38-F61 HydrophobicContact CD2-CB 4.22Å
39K96.2Very high96.2Very high136 Ų13660.3 Ų60.359%0.59133%0.329SS*.  trans-121.281.3175.3-62.2-62.1-179.2-175.40109.2M12M12-K39 HydrophobicContact SD-CD 4Å
40P97.4Very high96.2Very high10 Ų1057.3 Ų57.37%0.06532%0.321CS..  trans-61.1148.5-176.820.9-33.2000113M12 L38 T57 L58 T59 F134M12-P40 HydrophobicContact CB-CG 4.4Å; M12-P40 WeakPolarHBondContact CB-O 3.26Å; M12-P40 HydrophobicContact CE-CG 3.34Å; M12-P40 PolarHBondContact N-O 2.88Å; M12-P40 HydrophobicContact SD-CG 4.13Å; L38-P40 WeakPolarHBondContact O-CD 3.37Å; P40-T57 HydrophobicContact CB-CG2 3.74Å; P40-L58 WeakPolarHBondContact CA-O 3.33Å; P40-T59 HydrophobicContact CB-CG2 3.96Å; P40-F134 HydrophobicContact CB-CE1 4.43Å; P40-F134 HydrophobicContact CG-CE1 4.05Å; P40-F134 HydrophobicContact CG-CZ 4.33Å
41T98.5Very high96.2Very high31 Ų3155 Ų5519%0.1930%0.303CS..EExtended strand (participates in β ladder)trans-108.7134.4163.8-67.20000108.8T9 F10 H11 L58T9-T41 HydrophobicContact CG2-CG2 3.61Å; F10-T41 CarbonylContact O-C 3.58Å; F10-T41 WeakPolarHBondContact O-CA 3.35Å; H11-T41 PolarHBondContact ND1-OG1 2.88Å; T41-L58 PolarHBondContact N-O 2.82Å; T41-L58 PolarHBondContact O-N 2.99Å
42K98.7Very high96.4Very high16 Ų1654.7 Ų54.77%0.0731%0.306CS..EExtended strand (participates in β ladder)trans-101.7127174.2-70.7-177.7177.7-72.50110.1T9 F10 I44 R56 T57 L119 F134T9-K42 CarbonylContact C-O 3.53Å; T9-K42 VanDerWaalsContact CA-O 3.32Å; T9-K42 WeakPolarHBondContact CA-O 3.46Å; F10-K42 HydrophobicContact CB-CB 4.42Å; F10-K42 PolarHBondContact N-O 2.82Å; F10-K42 PolarHBondContact O-N 3.26Å; K42-I44 HydrophobicContact CB-CG1 4.47Å; K42-R56 CarbonylContact C-O 3.55Å; K42-R56 VanDerWaalsContact CA-O 3.28Å; K42-R56 WeakPolarHBondContact CA-O 3.33Å; K42-T57 PolarHBondContact NZ-OG1 3.02Å; K42-L119 HydrophobicContact CD-CD2 3.99Å; K42-F134 HydrophobicContact CD-CD1 4.36Å; K42-F134 HydrophobicContact CD-CD2 4.39Å; K42-F134 HydrophobicContact CD-CE1 4.04Å; K42-F134 HydrophobicContact CD-CE2 4.07Å; K42-F134 HydrophobicContact CD-CZ 3.91Å; K42-F134 HydrophobicContact CG-CD1 4.35Å; K42-F134 HydrophobicContact CG-CE1 4Å; K42-F134 HydrophobicContact CG-CZ 4.31Å
43Q98.7Very high96.4Very high73 Ų7352.7 Ų52.734%0.34130%0.298SS..EExtended strand (participates in β ladder)trans-109118.9167.3-66.6-178.3-18.300108.2T9 R56 L58T9-Q43 HydrophobicContact CG2-CG 4.31Å; Q43-R56 HydrophobicContact CB-CB 4.29Å; Q43-R56 PolarHBondContact N-O 2.97Å; Q43-R56 PolarHBondContact O-N 2.97Å; Q43-L58 HydrophobicContact CG-CD1 4.12Å
44I98.8Very high96.6Very high7 Ų753 Ų534%0.03630%0.299CS..EExtended strand (participates in β ladder)trans-117.8129.8-175.8-55.6-179.5000109.3Y6 T7 G8 F10 K42 M53 K54 I55 L119Y6-I44 WeakPolarHBondContact O-CB 3.44Å; Y6-I44 WeakPolarHBondContact O-CG2 3.44Å; T7-I44 WeakPolarHBondContact CA-O 3.49Å; G8-I44 PolarHBondContact N-O 3.07Å; G8-I44 PolarHBondContact O-N 3.18Å; F10-I44 HydrophobicContact CD2-CD1 4.25Å; F10-I44 HydrophobicContact CD2-CG1 4.5Å; F10-I44 HydrophobicContact CE2-CD1 4.12Å; F10-I44 HydrophobicContact CE2-CG1 4.46Å; K42-I44 HydrophobicContact CB-CG1 4.47Å; I44-M53 HydrophobicContact CG2-SD 3.58Å; I44-M53 VanDerWaalsContact CG2-SD 3.58Å; I44-K54 WeakPolarHBondContact CA-O 3.37Å; I44-I55 HydrophobicContact CG1-CG1 4.32Å; I44-I55 HydrophobicContact CG1-CG2 4.23Å; I44-I55 HydrophobicContact CG2-CG1 4.32Å; I44-L119 HydrophobicContact CD1-CD2 3.66Å
45V98.4Very high96.7Very high93 Ų9349.8 Ų49.856%0.56428%0.283SS*.EExtended strand (participates in β ladder)trans-116.5117.8166.9-1800000107.3M53 K54V45-M53 WeakPolarHBondContact O-CA 3.41Å; V45-K54 HydrophobicContact CB-CB 4.46Å; V45-K54 PolarHBondContact N-O 2.85Å; V45-K54 PolarHBondContact O-N 2.85Å
46H97.9Very high96.9Very high10 Ų1053.3 Ų53.35%0.04629%0.292CS..EExtended strand (participates in β ladder)trans-124.7125.3179.9178.3-150.6000109.3P4 Y6 T7 P48 M53 W92P4-H46 PolarHBondContact O-CE1 2.96Å; Y6-H46 PolarHBondContact N-ND1 2.73Å; T7-H46 PolarHBondContact OG1-N 3.32Å; T7-H46 PolarHBondContact OG1-O 3.05Å; T7-H46 VanDerWaalsContact OG1-O 3.13Å; H46-P48 WeakPolarHBondContact O-CD 3.09Å; H46-M53 HydrophobicContact CB-CE 3.75Å; H46-M53 HydrophobicContact CB-SD 3.6Å; H46-M53 WeakPolarHBondContact CD2-CE 3.41Å; H46-W92 AromaticContact CE1-CZ2 3.71Å
47D96.4Very high96.9Very high64 Ų6453 Ų5334%0.34229%0.29SS..EExtended strand (participates in β ladder)trans-103.3100.8167.4178-5000109.2A49 T50 G51 S52D47-A49 PolarHBondContact O-N 2.83Å; D47-A49 WeakPolarHBondContact OD1-CB 3.48Å; D47-A49 PolarHBondContact OD1-N 2.78Å; D47-T50 WeakPolarHBondContact CB-OG1 3.44Å; D47-T50 PolarHBondContact O-N 2.78Å; D47-T50 PolarHBondContact OD1-N 2.8Å; D47-T50 WeakPolarHBondContact OD2-CB 3.35Å; D47-T50 WeakPolarHBondContact OD2-CG2 3.34Å; D47-T50 PolarHBondContact OD2-OG1 3.03Å; D47-G51 WeakPolarHBondContact O-CA 3.15Å; D47-G51 PolarHBondContact O-N 3Å; D47-S52 PolarHBondContact N-O 2.87Å; D47-S52 PolarHBondContact O-N 3.02Å
48P91.2Very high97Very high70 Ų7048.5 Ų48.546%0.45527%0.268SS..THydrogen-bonded Turntrans-66-20.8-178.5-2032.8000113.8N5 H46N5-P48 HydrophobicContact CB-CG 4.45Å; H46-P48 WeakPolarHBondContact O-CD 3.09Å
49A92.1Very high97Very high96 Ų9649.1 Ų49.179%0.79327%0.273SS*.THydrogen-bonded Turntrans-78.2-36.9-179.200000111.4D47D47-A49 PolarHBondContact O-N 2.83Å; D47-A49 WeakPolarHBondContact OD1-CB 3.48Å; D47-A49 PolarHBondContact OD1-N 2.78Å
50T95.2Very high96.7Very high65 Ų6549.4 Ų49.440%0.39929%0.286SS..THydrogen-bonded Turntrans-100.5-15.6-179.465.70000113.7D47 S52 K69D47-T50 WeakPolarHBondContact CB-OG1 3.44Å; D47-T50 PolarHBondContact O-N 2.78Å; D47-T50 PolarHBondContact OD1-N 2.8Å; D47-T50 WeakPolarHBondContact OD2-CB 3.35Å; D47-T50 WeakPolarHBondContact OD2-CG2 3.34Å; D47-T50 PolarHBondContact OD2-OG1 3.03Å; T50-S52 PolarHBondContact O-N 3.08Å; T50-S52 WeakPolarHBondContact OG1-CB 3.44Å; T50-S52 PolarHBondContact OG1-N 3.31Å; T50-K69 WeakPolarHBondContact O-CE 3.32Å; T50-K69 PolarHBondContact O-NZ 3.3Å
51G95.8Very high96.4Very high13 Ų1354.9 Ų54.913%0.13431%0.309CS..THydrogen-bonded Turntrans72.512.1-171.600000113.5D47 K69 L70D47-G51 WeakPolarHBondContact O-CA 3.15Å; D47-G51 PolarHBondContact O-N 3Å; G51-K69 WeakPolarHBondContact O-CA 3.42Å; G51-L70 WeakPolarHBondContact O-CG 3.3Å; G51-L70 PolarHBondContact O-N 3.38Å
52S97.9Very high96Very high44 Ų4458.8 Ų58.831%0.30832%0.324SS..EExtended strand (participates in β ladder)trans-71.8133.7176.2-1730000110.5D47 T50D47-S52 PolarHBondContact N-O 2.87Å; D47-S52 PolarHBondContact O-N 3.02Å; T50-S52 PolarHBondContact O-N 3.08Å; T50-S52 WeakPolarHBondContact OG1-CB 3.44Å; T50-S52 PolarHBondContact OG1-N 3.31Å
53M98.3Very high95.8Very high0 Ų061.4 Ų61.40%034%0.339CS..EExtended strand (participates in β ladder)trans-139.3128.4-175.8-173.471.973.200110.7I44 V45 H46 I55 F68 L97I44-M53 HydrophobicContact CG2-SD 3.58Å; I44-M53 VanDerWaalsContact CG2-SD 3.58Å; V45-M53 WeakPolarHBondContact O-CA 3.41Å; H46-M53 HydrophobicContact CB-CE 3.75Å; H46-M53 HydrophobicContact CB-SD 3.6Å; H46-M53 WeakPolarHBondContact CD2-CE 3.41Å; M53-I55 HydrophobicContact CG-CD1 4.14Å; M53-I55 HydrophobicContact CG-CG1 3.89Å; M53-I55 HydrophobicContact SD-CG1 4.31Å; M53-F68 HydrophobicContact CB-CD2 4.05Å; M53-F68 HydrophobicContact CB-CE1 4.23Å; M53-F68 HydrophobicContact CB-CE2 3.61Å; M53-F68 HydrophobicContact CB-CZ 3.73Å; M53-F68 HydrophobicContact CG-CE1 3.94Å; M53-F68 HydrophobicContact CG-CE2 3.8Å; M53-F68 HydrophobicContact CG-CZ 3.41Å; M53-F68 VanDerWaalsContact CG-CZ 3.41Å; M53-F68 PolarHBondContact N-O 3.22Å; M53-F68 PolarHBondContact O-N 3.23Å; M53-F68 VanDerWaalsContact O-O 3.11Å; M53-L97 HydrophobicContact CE-CD1 3.69Å
54K98.4Very high95.6Very high95 Ų9559.7 Ų59.741%0.41333%0.33SS..EExtended strand (participates in β ladder)trans-120.6127166.3-53.8-162.9-171.8-151.10109.9I44 V45 M66 D67I44-K54 WeakPolarHBondContact CA-O 3.37Å; V45-K54 HydrophobicContact CB-CB 4.46Å; V45-K54 PolarHBondContact N-O 2.85Å; V45-K54 PolarHBondContact O-N 2.85Å; K54-M66 CarbonylContact C-O 3.41Å; K54-M66 VanDerWaalsContact CA-O 3.26Å; K54-M66 WeakPolarHBondContact CA-O 3.37Å; K54-D67 VanDerWaalsContact CE-CG 3.49Å; K54-D67 WeakPolarHBondContact CE-OD1 3.28Å; K54-D67 WeakPolarHBondContact CE-OD2 3.33Å; K54-D67 HydrophobicContact CG-CB 4.37Å; K54-D67 IonicContact NZ-OD1 3.58Å; K54-D67 IonicContact NZ-OD2 3.8Å; K54-D67 PolarHBondContact NZ-OD2 3.26Å
55I98.3Very high95.4Very high4 Ų463.1 Ų63.12%0.02135%0.348CS..EExtended strand (participates in β ladder)trans-123111.8177.1-56177.5000107.5I44 M53 D65 M66 F68 W110I44-I55 HydrophobicContact CG1-CG1 4.32Å; I44-I55 HydrophobicContact CG1-CG2 4.23Å; I44-I55 HydrophobicContact CG2-CG1 4.32Å; M53-I55 HydrophobicContact CG-CD1 4.14Å; M53-I55 HydrophobicContact CG-CG1 3.89Å; M53-I55 HydrophobicContact SD-CG1 4.31Å; I55-D65 WeakPolarHBondContact O-CA 3.3Å; I55-M66 HydrophobicContact CB-CB 4.4Å; I55-M66 PolarHBondContact N-O 2.91Å; I55-M66 PolarHBondContact O-N 2.95Å; I55-F68 HydrophobicContact CD1-CE1 4.05Å; I55-F68 HydrophobicContact CD1-CZ 3.98Å; I55-F68 HydrophobicContact CG1-CE1 4.31Å; I55-W110 HydrophobicContact CD1-CH2 4.25Å
56R98.1Very high95.4Very high106 Ų10659.3 Ų59.340%0.433%0.325SS..EExtended strand (participates in β ladder)trans-102.8121.1174.5-54.7-174.570.8-157.3-1.4109.2K42 Q43 L58 D65K42-R56 CarbonylContact C-O 3.55Å; K42-R56 VanDerWaalsContact CA-O 3.28Å; K42-R56 WeakPolarHBondContact CA-O 3.33Å; Q43-R56 HydrophobicContact CB-CB 4.29Å; Q43-R56 PolarHBondContact N-O 2.97Å; Q43-R56 PolarHBondContact O-N 2.97Å; R56-L58 HydrophobicContact CB-CD2 4.27Å; R56-D65 VanDerWaalsContact CA-OD1 3.24Å; R56-D65 WeakPolarHBondContact CA-OD1 3.36Å; R56-D65 WeakPolarHBondContact CB-OD1 3.19Å; R56-D65 HydrophobicContact CG-CB 4.43Å; R56-D65 WeakPolarHBondContact CG-OD1 3.5Å; R56-D65 IonicContact CZ-OD2 3.47Å; R56-D65 IonicContact NE-OD1 2.96Å; R56-D65 IonicContact NE-OD2 3.85Å; R56-D65 PolarHBondContact NE-OD2 2.74Å; R56-D65 IonicContact NH2-OD2 2.81Å; R56-D65 PolarHBondContact NH2-OD2 3.38Å
57T97.8Very high95.3Very high22 Ų2263.4 Ų63.414%0.13535%0.347CS..EExtended strand (participates in β ladder)trans-105.2105.3175.7-56.50000108.3P40 K42 D63 F64P40-T57 HydrophobicContact CB-CG2 3.74Å; K42-T57 PolarHBondContact NZ-OG1 3.02Å; T57-D63 WeakPolarHBondContact O-CA 3.35Å; T57-F64 WeakPolarHBondContact CB-O 3.08Å; T57-F64 PolarHBondContact N-O 2.87Å; T57-F64 PolarHBondContact O-N 2.96Å
58L97.4Very high95.4Very high41 Ų4160.9 Ų60.922%0.21533%0.333CS..EExtended strand (participates in β ladder)trans-93.8131.1-174.1-51.8179000110.6P40 T41 Q43 R56 D63P40-L58 WeakPolarHBondContact CA-O 3.33Å; T41-L58 PolarHBondContact N-O 2.82Å; T41-L58 PolarHBondContact O-N 2.99Å; Q43-L58 HydrophobicContact CG-CD1 4.12Å; R56-L58 HydrophobicContact CB-CD2 4.27Å; L58-D63 VanDerWaalsContact CA-OD1 3.25Å; L58-D63 WeakPolarHBondContact CA-OD1 3.28Å; L58-D63 HydrophobicContact CD2-CB 4.39Å
59T94.6Very high95.8Very high36 Ų3662 Ų6222%0.22133%0.33CS..  trans-136.5167.2174.2790000111.6L38 P40 F61 K62 D63L38-T59 HydrophobicContact CD1-CG2 4.27Å; P40-T59 HydrophobicContact CB-CG2 3.96Å; T59-F61 PolarHBondContact O-N 2.92Å; T59-F61 PolarHBondContact OG1-N 2.89Å; T59-K62 PolarHBondContact OG1-N 2.9Å; T59-K62 PolarHBondContact OG1-O 2.86Å; T59-D63 PolarHBondContact N-OD1 2.89Å
60T91.4Very high96.1Very high141 Ų14158.3 Ų58.387%0.86530%0.298SS*.SBendtrans-75.4-4.5173.956.30000113.5L38L38-T60 WeakPolarHBondContact CD2-OG1 3.32Å
61F90.4Very high96.2Very high126 Ų12657.2 Ų57.255%0.55330%0.299SS*.SBendtrans-110.7-59.3-177-175.9-110.7000111.8L31 L38 T59L31-F61 HydrophobicContact CD1-CE1 4.01Å; L31-F61 HydrophobicContact CD1-CZ 4.37Å; L38-F61 HydrophobicContact CD1-CB 3.87Å; L38-F61 HydrophobicContact CD2-CB 4.22Å; T59-F61 PolarHBondContact O-N 2.92Å; T59-F61 PolarHBondContact OG1-N 2.89Å
62K90.9Very high96.3Very high112 Ų11261.6 Ų61.649%0.48732%0.316SS..  trans-154.1135.5178.2-166.8169.5-174178.20110.4T59 P80T59-K62 PolarHBondContact OG1-N 2.9Å; T59-K62 PolarHBondContact OG1-O 2.86Å; K62-P80 HydrophobicContact CD-CB 3.94Å; K62-P80 HydrophobicContact CG-CB 4.44Å
63D94.1Very high96.4Very high72 Ų7264 Ų6439%0.38533%0.329SS..  trans-84155.7176.2-64.3-15000110.9T57 L58 T59T57-D63 WeakPolarHBondContact O-CA 3.35Å; L58-D63 VanDerWaalsContact CA-OD1 3.25Å; L58-D63 WeakPolarHBondContact CA-OD1 3.28Å; L58-D63 HydrophobicContact CD2-CB 4.39Å; T59-D63 PolarHBondContact N-OD1 2.89Å
64F94.4Very high96.4Very high36 Ų3666 Ų6616%0.15834%0.337CS..EExtended strand (participates in β ladder)trans-137.5117.7174.7177.8-107.9000110T57 M66 E76 L78 P80 V81T57-F64 WeakPolarHBondContact CB-O 3.08Å; T57-F64 PolarHBondContact N-O 2.87Å; T57-F64 PolarHBondContact O-N 2.96Å; F64-M66 HydrophobicContact CD1-CG 4.32Å; F64-M66 HydrophobicContact CE1-CG 3.55Å; F64-M66 HydrophobicContact CE1-SD 3.93Å; F64-M66 HydrophobicContact CZ-CG 3.94Å; F64-E76 HydrophobicContact CZ-CG 4.32Å; F64-E76 WeakPolarHBondContact CZ-OE1 3.24Å; F64-L78 HydrophobicContact CE1-CD2 4.47Å; F64-L78 HydrophobicContact CE2-CD2 3.91Å; F64-L78 HydrophobicContact CZ-CD2 3.61Å; F64-P80 HydrophobicContact CD2-CB 4.32Å; F64-P80 HydrophobicContact CD2-CG 4.43Å; F64-V81 HydrophobicContact CD2-CG2 3.87Å; F64-V81 HydrophobicContact CE2-CG2 4.14Å; F64-V81 HydrophobicContact CG-CG2 4.11Å
65D94.8Very high96.3Very high79 Ų7965.9 Ų65.942%0.42235%0.345SS..EExtended strand (participates in β ladder)trans-115.3136.3-174-70.6-3.8000110.2I55 R56I55-D65 WeakPolarHBondContact O-CA 3.3Å; R56-D65 VanDerWaalsContact CA-OD1 3.24Å; R56-D65 WeakPolarHBondContact CA-OD1 3.36Å; R56-D65 WeakPolarHBondContact CB-OD1 3.19Å; R56-D65 HydrophobicContact CG-CB 4.43Å; R56-D65 WeakPolarHBondContact CG-OD1 3.5Å; R56-D65 IonicContact CZ-OD2 3.47Å; R56-D65 IonicContact NE-OD1 2.96Å; R56-D65 IonicContact NE-OD2 3.85Å; R56-D65 PolarHBondContact NE-OD2 2.74Å; R56-D65 IonicContact NH2-OD2 2.81Å; R56-D65 PolarHBondContact NH2-OD2 3.38Å
66M97Very high96.3Very high14 Ų1466 Ų667%0.06935%0.345CS..EExtended strand (participates in β ladder)trans-118.2135.6172.7-55.3177.769.600109K54 I55 F64 F68 F74 E76 W110K54-M66 CarbonylContact C-O 3.41Å; K54-M66 VanDerWaalsContact CA-O 3.26Å; K54-M66 WeakPolarHBondContact CA-O 3.37Å; I55-M66 HydrophobicContact CB-CB 4.4Å; I55-M66 PolarHBondContact N-O 2.91Å; I55-M66 PolarHBondContact O-N 2.95Å; F64-M66 HydrophobicContact CD1-CG 4.32Å; F64-M66 HydrophobicContact CE1-CG 3.55Å; F64-M66 HydrophobicContact CE1-SD 3.93Å; F64-M66 HydrophobicContact CZ-CG 3.94Å; M66-F68 HydrophobicContact CB-CD1 3.86Å; M66-F68 HydrophobicContact CB-CE1 3.85Å; M66-F68 HydrophobicContact CE-CD1 4.19Å; M66-F68 HydrophobicContact CE-CE1 3.92Å; M66-F68 HydrophobicContact SD-CE1 4.45Å; M66-F74 HydrophobicContact CE-CE2 4.44Å; M66-F74 HydrophobicContact CE-CZ 3.86Å; M66-E76 VanDerWaalsContact CE-OE1 3.28Å; M66-E76 WeakPolarHBondContact CE-OE1 3.34Å; M66-W110 HydrophobicContact CE-CZ2 3.87Å; M66-W110 HydrophobicContact SD-CZ2 4.12Å
67D97.7Very high96.1Very high95 Ų9566.1 Ų66.151%0.50835%0.354SS..EExtended strand (participates in β ladder)trans-135.7108.5175.6-168.4-10.1000108.2K54K54-D67 VanDerWaalsContact CE-CG 3.49Å; K54-D67 WeakPolarHBondContact CE-OD1 3.28Å; K54-D67 WeakPolarHBondContact CE-OD2 3.33Å; K54-D67 HydrophobicContact CG-CB 4.37Å; K54-D67 IonicContact NZ-OD1 3.58Å; K54-D67 IonicContact NZ-OD2 3.8Å; K54-D67 PolarHBondContact NZ-OD2 3.26Å
68F98.4Very high95.9Very high11 Ų1165.2 Ų65.25%0.04835%0.348CS..EExtended strand (participates in β ladder)trans-151.3169.8-170.461.9-89.7000112.3M53 I55 M66 L70 F74 V90M53-F68 HydrophobicContact CB-CD2 4.05Å; M53-F68 HydrophobicContact CB-CE1 4.23Å; M53-F68 HydrophobicContact CB-CE2 3.61Å; M53-F68 HydrophobicContact CB-CZ 3.73Å; M53-F68 HydrophobicContact CG-CE1 3.94Å; M53-F68 HydrophobicContact CG-CE2 3.8Å; M53-F68 HydrophobicContact CG-CZ 3.41Å; M53-F68 VanDerWaalsContact CG-CZ 3.41Å; M53-F68 PolarHBondContact N-O 3.22Å; M53-F68 PolarHBondContact O-N 3.23Å; M53-F68 VanDerWaalsContact O-O 3.11Å; I55-F68 HydrophobicContact CD1-CE1 4.05Å; I55-F68 HydrophobicContact CD1-CZ 3.98Å; I55-F68 HydrophobicContact CG1-CE1 4.31Å; M66-F68 HydrophobicContact CB-CD1 3.86Å; M66-F68 HydrophobicContact CB-CE1 3.85Å; M66-F68 HydrophobicContact CE-CD1 4.19Å; M66-F68 HydrophobicContact CE-CE1 3.92Å; M66-F68 HydrophobicContact SD-CE1 4.45Å; F68-L70 HydrophobicContact CE2-CD2 3.85Å; F68-F74 HydrophobicContact CB-CD1 3.62Å; F68-F74 HydrophobicContact CB-CD2 4.38Å; F68-F74 HydrophobicContact CB-CE1 3.48Å; F68-F74 VanDerWaalsContact CB-CE1 3.48Å; F68-F74 HydrophobicContact CB-CE2 4.26Å; F68-F74 HydrophobicContact CB-CG 4.08Å; F68-F74 HydrophobicContact CB-CZ 3.83Å; F68-F74 HydrophobicContact CD1-CE1 4.29Å; F68-F74 HydrophobicContact CD1-CZ 4.03Å; F68-F74 HydrophobicContact CD2-CE1 4.3Å; F68-F74 HydrophobicContact CG-CD1 4.4Å; F68-F74 AromaticContact CG-CE1 3.79Å; F68-F74 HydrophobicContact CG-CE1 3.79Å; F68-F74 AromaticContact CG-CZ 3.99Å; F68-F74 HydrophobicContact CG-CZ 3.99Å; F68-V90 HydrophobicContact CD2-CB 4.01Å; F68-V90 HydrophobicContact CD2-CG2 4.07Å; F68-V90 HydrophobicContact CE1-CG2 4.43Å; F68-V90 HydrophobicContact CE2-CB 3.48Å; F68-V90 VanDerWaalsContact CE2-CB 3.48Å; F68-V90 HydrophobicContact CE2-CG1 3.78Å; F68-V90 HydrophobicContact CE2-CG2 3.64Å; F68-V90 HydrophobicContact CZ-CB 4.07Å; F68-V90 HydrophobicContact CZ-CG1 4.11Å; F68-V90 HydrophobicContact CZ-CG2 3.83Å
69K98.4Very high95.6Very high93 Ų9365 Ų6540%0.40436%0.356SS..EExtended strand (participates in β ladder)trans-117.1133.1172.6-177.1161.4171.41620109.9T50 G51 Q72T50-K69 WeakPolarHBondContact O-CE 3.32Å; T50-K69 PolarHBondContact O-NZ 3.3Å; G51-K69 WeakPolarHBondContact O-CA 3.42Å; K69-Q72 HydrophobicContact CB-CB 4.47Å; K69-Q72 HydrophobicContact CB-CG 4.29Å; K69-Q72 HydrophobicContact CG-CG 4.26Å; K69-Q72 PolarHBondContact O-N 3.39Å
70L98.3Very high95.1Very high20 Ų2065.8 Ų65.811%0.10536%0.362CS..THydrogen-bonded Turntrans-58.2139.8179.8-64.5173.8000111.4G51 F68 Q72 V90 W92 L97G51-L70 WeakPolarHBondContact O-CG 3.3Å; G51-L70 PolarHBondContact O-N 3.38Å; F68-L70 HydrophobicContact CE2-CD2 3.85Å; L70-Q72 PolarHBondContact O-N 2.92Å; L70-V90 CarbonylContact C-O 3.54Å; L70-V90 WeakPolarHBondContact CA-O 3.21Å; L70-V90 HydrophobicContact CD2-CB 4.11Å; L70-V90 HydrophobicContact CD2-CG1 3.77Å; L70-W92 HydrophobicContact CD1-CZ2 4.03Å; L70-L97 HydrophobicContact CD1-CD2 4.12Å; L70-L97 HydrophobicContact CD2-CD2 3.72Å
71G98.1Very high95Very high41 Ų4161.3 Ų61.342%0.42333%0.334SS..THydrogen-bonded Turntrans74.81-177.300000114.9V90G71-V90 PolarHBondContact N-O 2.74Å
72Q98.4Very high95.1Very high106 Ų10656.6 Ų56.650%0.49532%0.315SS..  trans-108.8137.9178.7-58-168.80.500111.5K69 L70K69-Q72 HydrophobicContact CB-CB 4.47Å; K69-Q72 HydrophobicContact CB-CG 4.29Å; K69-Q72 HydrophobicContact CG-CG 4.26Å; K69-Q72 PolarHBondContact O-N 3.39Å; L70-Q72 PolarHBondContact O-N 2.92Å
73V98.4Very high95.2Very high95 Ų9554.2 Ų54.258%0.57632%0.322SS*.EExtended strand (participates in β ladder)trans-73.2135.6171.4-173.70000108.7Q87 T88 T89V73-Q87 HydrophobicContact CG1-CB 4.18Å; V73-T88 CarbonylContact C-O 3.57Å; V73-T88 VanDerWaalsContact CA-O 3.32Å; V73-T88 WeakPolarHBondContact CA-O 3.47Å; V73-T89 WeakPolarHBondContact CG2-OG1 3.35Å
74F98.3Very high95.3Very high40 Ų4052.4 Ų52.418%0.17531%0.31CS..EExtended strand (participates in β ladder)trans-137.1158.717266.2-80.6000110.9M66 F68 E76 T88 V90M66-F74 HydrophobicContact CE-CE2 4.44Å; M66-F74 HydrophobicContact CE-CZ 3.86Å; F68-F74 HydrophobicContact CB-CD1 3.62Å; F68-F74 HydrophobicContact CB-CD2 4.38Å; F68-F74 HydrophobicContact CB-CE1 3.48Å; F68-F74 VanDerWaalsContact CB-CE1 3.48Å; F68-F74 HydrophobicContact CB-CE2 4.26Å; F68-F74 HydrophobicContact CB-CG 4.08Å; F68-F74 HydrophobicContact CB-CZ 3.83Å; F68-F74 HydrophobicContact CD1-CE1 4.29Å; F68-F74 HydrophobicContact CD1-CZ 4.03Å; F68-F74 HydrophobicContact CD2-CE1 4.3Å; F68-F74 HydrophobicContact CG-CD1 4.4Å; F68-F74 AromaticContact CG-CE1 3.79Å; F68-F74 HydrophobicContact CG-CE1 3.79Å; F68-F74 AromaticContact CG-CZ 3.99Å; F68-F74 HydrophobicContact CG-CZ 3.99Å; F74-E76 HydrophobicContact CD2-CB 4.25Å; F74-E76 HydrophobicContact CE2-CB 3.78Å; F74-E76 HydrophobicContact CE2-CG 4.05Å; F74-T88 VanDerWaalsContact CD1-O 3.27Å; F74-T88 WeakPolarHBondContact CD1-O 3.46Å; F74-T88 HydrophobicContact CE1-CG2 3.71Å; F74-T88 HydrophobicContact CE2-CG2 4.31Å; F74-T88 HydrophobicContact CZ-CG2 3.5Å; F74-T88 PolarHBondContact N-O 2.93Å; F74-T88 PolarHBondContact O-N 2.68Å; F74-V90 HydrophobicContact CE1-CG2 4.29Å
75T98Very high95.4Very high93 Ų9354.7 Ų54.757%0.57133%0.326SS*.EExtended strand (participates in β ladder)trans-85115.6174-61.40000108.7V85 Q87T75-V85 HydrophobicContact CG2-CG1 3.4Å; T75-V85 VanDerWaalsContact CG2-CG1 3.4Å; T75-Q87 PolarHBondContact OG1-NE2 2.86Å
76E97Very high95.6Very high8 Ų851.1 Ų51.14%0.03731%0.307CS..EExtended strand (participates in β ladder)trans-100.8112.7-179.9-169.8-176.8-164.300109.8F64 M66 F74 L78 V85 C86 T88 Q101F64-E76 HydrophobicContact CZ-CG 4.32Å; F64-E76 WeakPolarHBondContact CZ-OE1 3.24Å; M66-E76 VanDerWaalsContact CE-OE1 3.28Å; M66-E76 WeakPolarHBondContact CE-OE1 3.34Å; F74-E76 HydrophobicContact CD2-CB 4.25Å; F74-E76 HydrophobicContact CE2-CB 3.78Å; F74-E76 HydrophobicContact CE2-CG 4.05Å; E76-L78 HydrophobicContact CG-CD1 4.46Å; E76-L78 HydrophobicContact CG-CD2 4.2Å; E76-L78 HydrophobicContact CG-CG 4.06Å; E76-L78 PolarHBondContact O-N 2.95Å; E76-V85 WeakPolarHBondContact O-CA 3.32Å; E76-C86 PolarHBondContact N-O 2.84Å; E76-C86 PolarHBondContact O-N 2.85Å; E76-T88 WeakPolarHBondContact CB-OG1 3.48Å; E76-T88 WeakPolarHBondContact OE2-CB 3.32Å; E76-T88 WeakPolarHBondContact OE2-CG2 3.32Å; E76-T88 PolarHBondContact OE2-OG1 2.74Å; E76-Q101 VanDerWaalsContact CD-NE2 3.33Å; E76-Q101 PolarHBondContact OE1-NE2 2.92Å; E76-Q101 PolarHBondContact OE2-NE2 2.82Å
77D95Very high95.7Very high107 Ų10754.6 Ų54.657%0.57232%0.324SS*.EExtended strand (participates in β ladder)trans-81.7108.2173.5-177-1.2000109.9G79D77-G79 WeakPolarHBondContact OD1-CA 3.4Å; D77-G79 PolarHBondContact OD1-N 3.23Å
78L93.2Very high95.7Very high3 Ų350.1 Ų50.12%0.01630%0.299CS..EExtended strand (participates in β ladder)trans-100.719178.7-63.8151.8000111.3F64 E76 P80 V81 D82 G83 R84 C86F64-L78 HydrophobicContact CE1-CD2 4.47Å; F64-L78 HydrophobicContact CE2-CD2 3.91Å; F64-L78 HydrophobicContact CZ-CD2 3.61Å; E76-L78 HydrophobicContact CG-CD1 4.46Å; E76-L78 HydrophobicContact CG-CD2 4.2Å; E76-L78 HydrophobicContact CG-CG 4.06Å; E76-L78 PolarHBondContact O-N 2.95Å; L78-P80 VanDerWaalsContact C-CD 3.41Å; L78-P80 VanDerWaalsContact C-N 3.25Å; L78-V81 HydrophobicContact CB-CB 4.44Å; L78-V81 HydrophobicContact CD2-CB 4.39Å; L78-V81 HydrophobicContact CD2-CG2 4.18Å; L78-V81 WeakPolarHBondContact O-CA 3.39Å; L78-V81 PolarHBondContact O-N 3.26Å; L78-D82 VanDerWaalsContact CB-OD1 3.28Å; L78-D82 WeakPolarHBondContact CB-OD1 3.26Å; L78-D82 PolarHBondContact O-N 3Å; L78-G83 PolarHBondContact O-N 2.8Å; L78-R84 CarbonylContact C-O 3.59Å; L78-R84 VanDerWaalsContact CA-O 3.28Å; L78-R84 WeakPolarHBondContact CA-O 3.39Å; L78-R84 VanDerWaalsContact CB-O 3.3Å; L78-R84 WeakPolarHBondContact CB-O 3.27Å; L78-R84 PolarHBondContact N-O 3.36Å; L78-C86 HydrophobicContact CD1-CB 3.96Å; L78-C86 VanDerWaalsContact CD1-SG 3.57Å
79G90.4Very high95.7Very high38 Ų3851.4 Ų51.439%0.39231%0.308SS..THydrogen-bonded Turntrans-44.7-43.2168.100000114.2D77 V81 R84D77-G79 WeakPolarHBondContact OD1-CA 3.4Å; D77-G79 PolarHBondContact OD1-N 3.23Å; G79-V81 VanDerWaalsContact C-N 3.26Å; G79-V81 PolarHBondContact O-N 2.79Å; G79-R84 PolarHBondContact N-O 2.88Å
80P84.9Confident95.8Very high51 Ų5147 Ų4733%0.33129%0.289SS..THydrogen-bonded Turntrans-65.3-21173.9-26.137.3000116.1K62 F64 L78K62-P80 HydrophobicContact CD-CB 3.94Å; K62-P80 HydrophobicContact CG-CB 4.44Å; F64-P80 HydrophobicContact CD2-CB 4.32Å; F64-P80 HydrophobicContact CD2-CG 4.43Å; L78-P80 VanDerWaalsContact C-CD 3.41Å; L78-P80 VanDerWaalsContact C-N 3.25Å
81V88.5Confident95.7Very high48 Ų4849.7 Ų49.729%0.29130%0.304SS..THydrogen-bonded Turntrans-104.8-61.6-171.6-178.60000110.8F64 L78 G79F64-V81 HydrophobicContact CD2-CG2 3.87Å; F64-V81 HydrophobicContact CE2-CG2 4.14Å; F64-V81 HydrophobicContact CG-CG2 4.11Å; L78-V81 HydrophobicContact CB-CB 4.44Å; L78-V81 HydrophobicContact CD2-CB 4.39Å; L78-V81 HydrophobicContact CD2-CG2 4.18Å; L78-V81 WeakPolarHBondContact O-CA 3.39Å; L78-V81 PolarHBondContact O-N 3.26Å; G79-V81 VanDerWaalsContact C-N 3.26Å; G79-V81 PolarHBondContact O-N 2.79Å
82D92.2Very high95.7Very high27 Ų2750.4 Ų50.414%0.14429%0.294CS..THydrogen-bonded Turntrans-141.210.1-173.669.6-37.9000114.3I27 L78 R84 R108I27-D82 HydrophobicContact CD1-CB 4.3Å; I27-D82 HydrophobicContact CG1-CB 4.15Å; L78-D82 VanDerWaalsContact CB-OD1 3.28Å; L78-D82 WeakPolarHBondContact CB-OD1 3.26Å; L78-D82 PolarHBondContact O-N 3Å; D82-R84 VanDerWaalsContact C-N 3.31Å; D82-R84 PolarHBondContact O-N 2.83Å; D82-R84 WeakPolarHBondContact OD2-CD 3.43Å; D82-R84 IonicContact OD2-CZ 2.88Å; D82-R84 IonicContact OD2-NE 2.74Å; D82-R84 IonicContact OD2-NH1 2.68Å; D82-R84 PolarHBondContact OD2-NH1 2.6Å; D82-R108 IonicContact OD1-CZ 2.82Å; D82-R108 IonicContact OD1-NH1 3.49Å; D82-R108 PolarHBondContact OD1-NH1 2.96Å; D82-R108 IonicContact OD1-NH2 2.83Å; D82-R108 PolarHBondContact OD1-NH2 2.66Å; D82-R108 IonicContact OD2-CZ 2.66Å; D82-R108 IonicContact OD2-NH1 3.99Å; D82-R108 PolarHBondContact OD2-NH1 3.18Å; D82-R108 IonicContact OD2-NH2 3.25Å; D82-R108 PolarHBondContact OD2-NH2 2.82Å
83G93.5Very high95.7Very high62 Ų6251.8 Ų51.864%0.63930%0.3SS*.SBendtrans82.93.917400000115L78L78-G83 PolarHBondContact O-N 2.8Å
84R96.8Very high95.6Very high34 Ų3449.7 Ų49.713%0.12830%0.298CS..EExtended strand (participates in β ladder)trans-103169.6-171.9-64.3-172.8176.593.5-2.7112.7L25 D26 L78 G79 D82 E104L25-R84 PolarHBondContact O-NH1 2.91Å; D26-R84 IonicContact OD2-CZ 3.69Å; D26-R84 IonicContact OD2-NH2 3.03Å; D26-R84 PolarHBondContact OD2-NH2 2.83Å; L78-R84 CarbonylContact C-O 3.59Å; L78-R84 VanDerWaalsContact CA-O 3.28Å; L78-R84 WeakPolarHBondContact CA-O 3.39Å; L78-R84 VanDerWaalsContact CB-O 3.3Å; L78-R84 WeakPolarHBondContact CB-O 3.27Å; L78-R84 PolarHBondContact N-O 3.36Å; G79-R84 PolarHBondContact N-O 2.88Å; D82-R84 VanDerWaalsContact C-N 3.31Å; D82-R84 PolarHBondContact O-N 2.83Å; D82-R84 WeakPolarHBondContact OD2-CD 3.43Å; D82-R84 IonicContact OD2-CZ 2.88Å; D82-R84 IonicContact OD2-NE 2.74Å; D82-R84 IonicContact OD2-NH1 2.68Å; D82-R84 PolarHBondContact OD2-NH1 2.6Å; R84-E104 IonicContact CZ-OE1 2.79Å; R84-E104 IonicContact CZ-OE2 3.44Å; R84-E104 IonicContact NE-OE1 3.83Å; R84-E104 PolarHBondContact NE-OE1 2.74Å; R84-E104 IonicContact NE-OE2 2.74Å; R84-E104 PolarHBondContact NE-OE2 3.28Å; R84-E104 IonicContact NH2-OE1 3.75Å; R84-E104 PolarHBondContact NH2-OE1 2.87Å; R84-E104 IonicContact NH2-OE2 2.73Å
85V97.3Very high95.5Very high83 Ų8351.9 Ų51.950%0.50331%0.312SS..EExtended strand (participates in β ladder)trans-123.1134168.11790000108.4T75 E76T75-V85 HydrophobicContact CG2-CG1 3.4Å; T75-V85 VanDerWaalsContact CG2-CG1 3.4Å; E76-V85 WeakPolarHBondContact O-CA 3.32Å
86C98.1Very high95.5Very high4 Ų452.2 Ų52.23%0.02731%0.305CS..EExtended strand (participates in β ladder)trans-117.1152.4174.8-72.10000111.4E76 L78 T88 Q101 R102E76-C86 PolarHBondContact N-O 2.84Å; E76-C86 PolarHBondContact O-N 2.85Å; L78-C86 HydrophobicContact CD1-CB 3.96Å; L78-C86 VanDerWaalsContact CD1-SG 3.57Å; C86-T88 WeakPolarHBondContact CB-OG1 3.37Å; C86-Q101 HydrophobicContact CB-CB 4.07Å; C86-R102 WeakPolarHBondContact CA-O 3.42Å
87Q98.5Very high95.5Very high88 Ų8852 Ų5241%0.41130%0.304SS..EExtended strand (participates in β ladder)trans-90.1108.5159.3-66.3-59.5-51.500107.6V73 T75 R102V73-Q87 HydrophobicContact CG1-CB 4.18Å; T75-Q87 PolarHBondContact OG1-NE2 2.86Å; Q87-R102 HydrophobicContact CB-CB 4.47Å; Q87-R102 PolarHBondContact N-O 3.3Å; Q87-R102 WeakPolarHBondContact O-CB 3.47Å; Q87-R102 PolarHBondContact O-N 3.28Å
88T98.8Very high95.7Very high0 Ų048.2 Ų48.20%029%0.285CS..EExtended strand (participates in β ladder)trans-112.7142.1-166.8-62.80000110.6V73 F74 E76 C86 V90 C99 V100 Q101V73-T88 CarbonylContact C-O 3.57Å; V73-T88 VanDerWaalsContact CA-O 3.32Å; V73-T88 WeakPolarHBondContact CA-O 3.47Å; F74-T88 VanDerWaalsContact CD1-O 3.27Å; F74-T88 WeakPolarHBondContact CD1-O 3.46Å; F74-T88 HydrophobicContact CE1-CG2 3.71Å; F74-T88 HydrophobicContact CE2-CG2 4.31Å; F74-T88 HydrophobicContact CZ-CG2 3.5Å; F74-T88 PolarHBondContact N-O 2.93Å; F74-T88 PolarHBondContact O-N 2.68Å; E76-T88 WeakPolarHBondContact CB-OG1 3.48Å; E76-T88 WeakPolarHBondContact OE2-CB 3.32Å; E76-T88 WeakPolarHBondContact OE2-CG2 3.32Å; E76-T88 PolarHBondContact OE2-OG1 2.74Å; C86-T88 WeakPolarHBondContact CB-OG1 3.37Å; T88-V90 HydrophobicContact CG2-CG2 4.46Å; T88-C99 WeakPolarHBondContact CG2-SG 3.48Å; T88-V100 VanDerWaalsContact CA-O 3.32Å; T88-V100 WeakPolarHBondContact CA-O 3.28Å; T88-Q101 HydrophobicContact CG2-CG 3.93Å
89T98.7Very high96Very high38 Ų3848.1 Ų48.123%0.23328%0.284CS..EExtended strand (participates in β ladder)trans-135.6134.7172.2-510000108.8V73 C99 V100V73-T89 WeakPolarHBondContact CG2-OG1 3.35Å; T89-C99 CarbonylContact O-C 3.56Å; T89-C99 WeakPolarHBondContact O-CA 3.38Å; T89-V100 PolarHBondContact N-O 3.33Å; T89-V100 PolarHBondContact O-N 2.91Å
90V98.8Very high96.4Very high0 Ų049.4 Ų49.40%029%0.285CS..EExtended strand (participates in β ladder)trans-120.3127.2174.6-172.50000108.1F68 L70 G71 F74 T88 L97 V98 C99 W110F68-V90 HydrophobicContact CD2-CB 4.01Å; F68-V90 HydrophobicContact CD2-CG2 4.07Å; F68-V90 HydrophobicContact CE1-CG2 4.43Å; F68-V90 HydrophobicContact CE2-CB 3.48Å; F68-V90 VanDerWaalsContact CE2-CB 3.48Å; F68-V90 HydrophobicContact CE2-CG1 3.78Å; F68-V90 HydrophobicContact CE2-CG2 3.64Å; F68-V90 HydrophobicContact CZ-CB 4.07Å; F68-V90 HydrophobicContact CZ-CG1 4.11Å; F68-V90 HydrophobicContact CZ-CG2 3.83Å; L70-V90 CarbonylContact C-O 3.54Å; L70-V90 WeakPolarHBondContact CA-O 3.21Å; L70-V90 HydrophobicContact CD2-CB 4.11Å; L70-V90 HydrophobicContact CD2-CG1 3.77Å; G71-V90 PolarHBondContact N-O 2.74Å; F74-V90 HydrophobicContact CE1-CG2 4.29Å; T88-V90 HydrophobicContact CG2-CG2 4.46Å; V90-L97 HydrophobicContact CG1-CB 4.31Å; V90-V98 WeakPolarHBondContact CA-O 3.41Å; V90-C99 HydrophobicContact CG2-CB 3.88Å; V90-W110 HydrophobicContact CG1-CH2 3.71Å; V90-W110 HydrophobicContact CG1-CZ2 4.45Å; V90-W110 HydrophobicContact CG1-CZ3 4.23Å; V90-W110 HydrophobicContact CG2-CH2 3.98Å; V90-W110 HydrophobicContact CG2-CZ2 3.89Å
91D98.1Very high97Very high77 Ų7747.4 Ų47.441%0.41227%0.271SS..EExtended strand (participates in β ladder)trans-147.2171.4178.1-151.6-9.8000111.8V98D91-V98 PolarHBondContact N-O 3.36Å; D91-V98 PolarHBondContact O-N 3.13Å
92W97.5Very high97.5Very high56 Ų5653.8 Ų53.821%0.21229%0.29CS..EExtended strand (participates in β ladder)trans-77.1133178.7-67.5102.9000112.4K3 P4 Y6 H46 L70 K96 L97K3-W92 HydrophobicContact CB-CH2 3.95Å; K3-W92 HydrophobicContact CB-CZ2 3.73Å; K3-W92 HydrophobicContact CB-CZ3 4.45Å; K3-W92 HydrophobicContact CD-CD2 3.77Å; K3-W92 HydrophobicContact CD-CE3 3.99Å; K3-W92 HydrophobicContact CD-CG 4.1Å; K3-W92 HydrophobicContact CD-CZ3 4.43Å; K3-W92 HydrophobicContact CG-CD2 4.18Å; K3-W92 HydrophobicContact CG-CZ2 4.16Å; P4-W92 HydrophobicContact CG-CZ3 4.39Å; P4-W92 WeakPolarHBondContact O-CH2 3.44Å; Y6-W92 HydrophobicContact CD2-CH2 4.02Å; Y6-W92 AromaticContact CE2-CH2 3.56Å; Y6-W92 HydrophobicContact CE2-CH2 3.56Å; Y6-W92 AromaticContact CE2-CZ3 3.72Å; Y6-W92 HydrophobicContact CE2-CZ3 3.72Å; H46-W92 AromaticContact CE1-CZ2 3.71Å; L70-W92 HydrophobicContact CD1-CZ2 4.03Å; W92-K96 WeakPolarHBondContact CA-O 3.49Å; W92-L97 HydrophobicContact CD2-CD2 3.75Å; W92-L97 HydrophobicContact CE3-CD2 3.71Å; W92-L97 HydrophobicContact CE3-CG 4.29Å; W92-L97 HydrophobicContact CG-CD2 4.46Å; W92-L97 HydrophobicContact CH2-CD2 3.79Å; W92-L97 HydrophobicContact CH2-CG 4.15Å; W92-L97 HydrophobicContact CZ2-CD2 3.81Å; W92-L97 HydrophobicContact CZ3-CD2 3.74Å; W92-L97 HydrophobicContact CZ3-CG 3.96Å
93E97.6Very high97.7Very high135 Ų13554.7 Ų54.763%0.63131%0.305SS*.EExtended strand (participates in β ladder)trans-124100.1160.9-165.9-178.4146.100108.4D95 K96 V98E93-D95 PolarHBondContact O-N 3.32Å; E93-K96 PolarHBondContact N-O 2.9Å; E93-K96 WeakPolarHBondContact O-CB 3.2Å; E93-K96 PolarHBondContact O-N 3.19Å; E93-V98 HydrophobicContact CB-CB 4.5Å; E93-V98 HydrophobicContact CB-CG2 3.61Å
94G95.9Very high97.9Very high52 Ų5258.1 Ų58.154%0.53631%0.305SS..THydrogen-bonded Turntrans59.6-118.3-166.600000110.9K3K3-G94 PolarHBondContact NZ-O 3.12Å
95D96.2Very high97.9Very high86 Ų8658.3 Ų58.346%0.4631%0.307SS..THydrogen-bonded Turntrans-984.8178.6-64.1-29.8000113.3P4 Y6 E93P4-D95 HydrophobicContact CG-CB 4Å; Y6-D95 PolarHBondContact OH-O 3.44Å; E93-D95 PolarHBondContact O-N 3.32Å
96K98.2Very high98Very high100 Ų10062.5 Ų62.544%0.43532%0.321SS..EExtended strand (participates in β ladder)trans-101.6150.5-179.4-50.9-169.6179.1176.20111W92 E93 T111 H112 W113W92-K96 WeakPolarHBondContact CA-O 3.49Å; E93-K96 PolarHBondContact N-O 2.9Å; E93-K96 WeakPolarHBondContact O-CB 3.2Å; E93-K96 PolarHBondContact O-N 3.19Å; K96-T111 HydrophobicContact CB-CG2 3.87Å; K96-T111 HydrophobicContact CD-CG2 3.89Å; K96-T111 HydrophobicContact CG-CG2 4.47Å; K96-H112 WeakPolarHBondContact CA-O 3.24Å; K96-W113 HydrophobicContact CB-CB 4.35Å; K96-W113 HydrophobicContact CD-CB 4.21Å; K96-W113 HydrophobicContact CG-CB 3.82Å
97L98.4Very high97.9Very high2 Ų265 Ų651%0.0135%0.347CS..EExtended strand (participates in β ladder)trans-95121.4166.4-69176000108.8Y6 M53 L70 V90 W92 W110 T111 H112Y6-L97 HydrophobicContact CD1-CD1 4.18Å; Y6-L97 HydrophobicContact CD2-CD1 3.78Å; Y6-L97 HydrophobicContact CD2-CG 4.38Å; Y6-L97 HydrophobicContact CE1-CD1 4.12Å; Y6-L97 HydrophobicContact CE2-CD1 3.73Å; Y6-L97 HydrophobicContact CE2-CG 3.85Å; Y6-L97 HydrophobicContact CG-CD1 4.02Å; M53-L97 HydrophobicContact CE-CD1 3.69Å; L70-L97 HydrophobicContact CD1-CD2 4.12Å; L70-L97 HydrophobicContact CD2-CD2 3.72Å; V90-L97 HydrophobicContact CG1-CB 4.31Å; W92-L97 HydrophobicContact CD2-CD2 3.75Å; W92-L97 HydrophobicContact CE3-CD2 3.71Å; W92-L97 HydrophobicContact CE3-CG 4.29Å; W92-L97 HydrophobicContact CG-CD2 4.46Å; W92-L97 HydrophobicContact CH2-CD2 3.79Å; W92-L97 HydrophobicContact CH2-CG 4.15Å; W92-L97 HydrophobicContact CZ2-CD2 3.81Å; W92-L97 HydrophobicContact CZ3-CD2 3.74Å; W92-L97 HydrophobicContact CZ3-CG 3.96Å; L97-W110 HydrophobicContact CB-CZ3 4.3Å; L97-T111 CarbonylContact O-C 3.38Å; L97-T111 VanDerWaalsContact O-CA 3.24Å; L97-T111 WeakPolarHBondContact O-CA 3.09Å; L97-H112 HydrophobicContact CB-CB 4.25Å; L97-H112 PolarHBondContact N-O 3.4Å; L97-H112 PolarHBondContact O-N 3.03Å
98V98.8Very high98Very high28 Ų2861.2 Ų61.217%0.1733%0.329CS..EExtended strand (participates in β ladder)trans-112.6124.6178.9-179.60000108.9V90 D91 E93 T111V90-V98 WeakPolarHBondContact CA-O 3.41Å; D91-V98 PolarHBondContact N-O 3.36Å; D91-V98 PolarHBondContact O-N 3.13Å; E93-V98 HydrophobicContact CB-CB 4.5Å; E93-V98 HydrophobicContact CB-CG2 3.61Å; V98-T111 HydrophobicContact CG2-CG2 4.03Å
99C98.8Very high97.9Very high1 Ų161.3 Ų61.31%0.00733%0.33CS..EExtended strand (participates in β ladder)trans-106.7132.6176.11790000110.3T88 T89 V90 G109 W110T88-C99 WeakPolarHBondContact CG2-SG 3.48Å; T89-C99 CarbonylContact O-C 3.56Å; T89-C99 WeakPolarHBondContact O-CA 3.38Å; V90-C99 HydrophobicContact CG2-CB 3.88Å; C99-G109 VanDerWaalsContact O-CA 3.24Å; C99-G109 WeakPolarHBondContact O-CA 3.37Å; C99-W110 HydrophobicContact CB-CD2 3.25Å; C99-W110 HydrophobicContact CB-CE3 3.64Å; C99-W110 HydrophobicContact CB-CG 3.71Å; C99-W110 HydrophobicContact CB-CH2 3.85Å; C99-W110 HydrophobicContact CB-CZ2 3.5Å; C99-W110 VanDerWaalsContact CB-CZ2 3.5Å; C99-W110 HydrophobicContact CB-CZ3 3.9Å; C99-W110 PolarHBondContact N-O 2.83Å; C99-W110 PolarHBondContact O-N 3.25Å; C99-W110 VanDerWaalsContact O-N 3.08Å; C99-W110 PolarHBondContact SG-NE1 3.44Å
100V98.8Very high98Very high65 Ų6560.4 Ų60.439%0.39432%0.322SS..EExtended strand (participates in β ladder)trans-116.9123.2170.9-178.80000108T88 T89 R102T88-V100 VanDerWaalsContact CA-O 3.32Å; T88-V100 WeakPolarHBondContact CA-O 3.28Å; T89-V100 PolarHBondContact N-O 3.33Å; T89-V100 PolarHBondContact O-N 2.91Å; V100-R102 HydrophobicContact CG1-CG 4.03Å
101Q98.7Very high98Very high9 Ų961.1 Ų61.14%0.04233%0.327CS..EExtended strand (participates in β ladder)trans-110.398.7179.8-61.3177.1-69.300108.3E76 C86 T88 R108E76-Q101 VanDerWaalsContact CD-NE2 3.33Å; E76-Q101 PolarHBondContact OE1-NE2 2.92Å; E76-Q101 PolarHBondContact OE2-NE2 2.82Å; C86-Q101 HydrophobicContact CB-CB 4.07Å; T88-Q101 HydrophobicContact CG2-CG 3.93Å; Q101-R108 HydrophobicContact CB-CB 4.17Å; Q101-R108 HydrophobicContact CB-CG 3.97Å; Q101-R108 PolarHBondContact N-O 2.69Å
102R98.4Very high98Very high182 Ų18257.7 Ų57.769%0.68731%0.308SS*.EExtended strand (participates in β ladder)trans-85.9121.6-179.9-60.8-179.1-177.9-101.70.6109.7C86 Q87 V100C86-R102 WeakPolarHBondContact CA-O 3.42Å; Q87-R102 HydrophobicContact CB-CB 4.47Å; Q87-R102 PolarHBondContact N-O 3.3Å; Q87-R102 WeakPolarHBondContact O-CB 3.47Å; Q87-R102 PolarHBondContact O-N 3.28Å; V100-R102 HydrophobicContact CG1-CG 4.03Å
103G97.1Very high98Very high46 Ų4657.2 Ų57.247%0.47431%0.306SS..SBendtrans-174.1-149.9-18000000111.2K105G103-K105 VanDerWaalsContact C-N 3.29Å; G103-K105 PolarHBondContact O-N 3.26Å
104E96.9Very high98.1Very high134 Ų13453.2 Ų53.263%0.62629%0.289SS*.SBendtrans-60.9-35.5-178.7-172.6-168.713200113.5R84R84-E104 IonicContact CZ-OE1 2.79Å; R84-E104 IonicContact CZ-OE2 3.44Å; R84-E104 IonicContact NE-OE1 3.83Å; R84-E104 PolarHBondContact NE-OE1 2.74Å; R84-E104 IonicContact NE-OE2 2.74Å; R84-E104 PolarHBondContact NE-OE2 3.28Å; R84-E104 IonicContact NH2-OE1 3.75Å; R84-E104 PolarHBondContact NH2-OE1 2.87Å; R84-E104 IonicContact NH2-OE2 2.73Å
105K97.6Very high98.2Very high39 Ų3955.8 Ų55.817%0.1729%0.287CS..SBendtrans-93.3119.9-177.3-67.4-71.7176.9171.70110.6A24 L25 D26 G103 R108 V125A24-K105 WeakPolarHBondContact O-CE 3.25Å; A24-K105 PolarHBondContact O-NZ 2.79Å; L25-K105 HydrophobicContact CD2-CG 4.22Å; D26-K105 IonicContact OD1-NZ 3.75Å; D26-K105 PolarHBondContact OD1-NZ 3.12Å; D26-K105 WeakPolarHBondContact OD2-CE 3.45Å; D26-K105 IonicContact OD2-NZ 2.95Å; D26-K105 PolarHBondContact OD2-NZ 3.12Å; G103-K105 VanDerWaalsContact C-N 3.29Å; G103-K105 PolarHBondContact O-N 3.26Å; K105-R108 HydrophobicContact CB-CB 4.28Å; K105-V125 HydrophobicContact CB-CG2 3.73Å; K105-V125 HydrophobicContact CD-CG2 4.31Å; K105-V125 HydrophobicContact CG-CG2 4.26Å
106E97.5Very high98.2Very high171 Ų17155.5 Ų55.580%0.79930%0.304SS*.THydrogen-bonded Turntrans-66.7150.9175.5-63-168.5162.800111.9R108 G126E106-R108 PolarHBondContact O-N 2.88Å; E106-G126 PolarHBondContact O-N 3.16Å
107G97.7Very high98.2Very high56 Ų5654 Ų5458%0.57730%0.301SS*.THydrogen-bonded Turntrans61.614.717700000115R124G107-R124 CarbonylContact O-C 3.6Å
108R98.7Very high98.2Very high8 Ų858.1 Ų58.13%0.0332%0.319CS..  trans-74.1131.4-177.6-167.6-171.5177.9152.84.2111.3D82 Q101 K105 E106 R124 V125D82-R108 IonicContact OD1-CZ 2.82Å; D82-R108 IonicContact OD1-NH1 3.49Å; D82-R108 PolarHBondContact OD1-NH1 2.96Å; D82-R108 IonicContact OD1-NH2 2.83Å; D82-R108 PolarHBondContact OD1-NH2 2.66Å; D82-R108 IonicContact OD2-CZ 2.66Å; D82-R108 IonicContact OD2-NH1 3.99Å; D82-R108 PolarHBondContact OD2-NH1 3.18Å; D82-R108 IonicContact OD2-NH2 3.25Å; D82-R108 PolarHBondContact OD2-NH2 2.82Å; Q101-R108 HydrophobicContact CB-CB 4.17Å; Q101-R108 HydrophobicContact CB-CG 3.97Å; Q101-R108 PolarHBondContact N-O 2.69Å; K105-R108 HydrophobicContact CB-CB 4.28Å; E106-R108 PolarHBondContact O-N 2.88Å; R108-R124 VanDerWaalsContact CA-O 3.3Å; R108-R124 WeakPolarHBondContact CA-O 3.08Å; R108-V125 HydrophobicContact CB-CG2 4.32Å; R108-V125 HydrophobicContact CG-CG2 4.5Å
109G98.6Very high98.2Very high2 Ų256.8 Ų56.82%0.02131%0.311CS..EExtended strand (participates in β ladder)trans168.8-171.8175.900000112.7C99 R124C99-G109 VanDerWaalsContact O-CA 3.24Å; C99-G109 WeakPolarHBondContact O-CA 3.37Å; G109-R124 PolarHBondContact N-O 3.27Å; G109-R124 PolarHBondContact O-N 3.49Å
110W98.8Very high98.2Very high20 Ų2058.2 Ų58.28%0.07632%0.317CS..EExtended strand (participates in β ladder)trans-151.6161178.451.9-101.4000112.5I55 M66 V90 L97 C99 H112 L121 E122 M123 R124I55-W110 HydrophobicContact CD1-CH2 4.25Å; M66-W110 HydrophobicContact CE-CZ2 3.87Å; M66-W110 HydrophobicContact SD-CZ2 4.12Å; V90-W110 HydrophobicContact CG1-CH2 3.71Å; V90-W110 HydrophobicContact CG1-CZ2 4.45Å; V90-W110 HydrophobicContact CG1-CZ3 4.23Å; V90-W110 HydrophobicContact CG2-CH2 3.98Å; V90-W110 HydrophobicContact CG2-CZ2 3.89Å; L97-W110 HydrophobicContact CB-CZ3 4.3Å; C99-W110 HydrophobicContact CB-CD2 3.25Å; C99-W110 HydrophobicContact CB-CE3 3.64Å; C99-W110 HydrophobicContact CB-CG 3.71Å; C99-W110 HydrophobicContact CB-CH2 3.85Å; C99-W110 HydrophobicContact CB-CZ2 3.5Å; C99-W110 VanDerWaalsContact CB-CZ2 3.5Å; C99-W110 HydrophobicContact CB-CZ3 3.9Å; C99-W110 PolarHBondContact N-O 2.83Å; C99-W110 PolarHBondContact O-N 3.25Å; C99-W110 VanDerWaalsContact O-N 3.08Å; C99-W110 PolarHBondContact SG-NE1 3.44Å; W110-H112 HydrophobicContact CE3-CB 4.34Å; W110-H112 AromaticContact CE3-CD2 3.74Å; W110-H112 HydrophobicContact CZ3-CB 4.06Å; W110-H112 AromaticContact CZ3-CD2 3.57Å; W110-L121 HydrophobicContact CB-CD1 3.77Å; W110-L121 HydrophobicContact CD2-CD1 4.45Å; W110-L121 HydrophobicContact CE3-CD1 4.41Å; W110-L121 HydrophobicContact CG-CD1 4.25Å; W110-E122 CarbonylContact C-O 3.52Å; W110-E122 WeakPolarHBondContact CA-O 3.48Å; W110-E122 VanDerWaalsContact CB-O 3.28Å; W110-E122 WeakPolarHBondContact CB-O 3.46Å; W110-M123 HydrophobicContact CB-CG 4.22Å; W110-R124 PolarHBondContact O-NH2 2.67Å; W110-R124 VanDerWaalsContact O-NH2 3.12Å
111T98.9Very high98.2Very high15 Ų1555.4 Ų55.49%0.09230%0.3CS..EExtended strand (participates in β ladder)trans-128.5128.4172.1-59.70000110.1K96 L97 V98 W113 L121 E122 R124K96-T111 HydrophobicContact CB-CG2 3.87Å; K96-T111 HydrophobicContact CD-CG2 3.89Å; K96-T111 HydrophobicContact CG-CG2 4.47Å; L97-T111 CarbonylContact O-C 3.38Å; L97-T111 VanDerWaalsContact O-CA 3.24Å; L97-T111 WeakPolarHBondContact O-CA 3.09Å; V98-T111 HydrophobicContact CG2-CG2 4.03Å; T111-W113 HydrophobicContact CG2-CE3 4.29Å; T111-L121 WeakPolarHBondContact O-CA 3.39Å; T111-E122 PolarHBondContact N-O 3.23Å; T111-E122 PolarHBondContact O-N 3.14Å; T111-R124 VanDerWaalsContact OG1-CZ 3.27Å; T111-R124 PolarHBondContact OG1-NH1 3.37Å; T111-R124 PolarHBondContact OG1-NH2 3.23Å
112H98.7Very high98.2Very high4 Ų456.8 Ų56.82%0.01931%0.307CS..EExtended strand (participates in β ladder)trans-106.5140.9171.8-96.1-55.7000110.7Y6 K96 L97 W110 L119 H120 L121Y6-H112 HydrophobicContact CE1-CB 4.04Å; Y6-H112 PolarHBondContact OH-O 2.73Å; K96-H112 WeakPolarHBondContact CA-O 3.24Å; L97-H112 HydrophobicContact CB-CB 4.25Å; L97-H112 PolarHBondContact N-O 3.4Å; L97-H112 PolarHBondContact O-N 3.03Å; W110-H112 HydrophobicContact CE3-CB 4.34Å; W110-H112 AromaticContact CE3-CD2 3.74Å; W110-H112 HydrophobicContact CZ3-CB 4.06Å; W110-H112 AromaticContact CZ3-CD2 3.57Å; H112-L119 HydrophobicContact CB-CD1 4.37Å; H112-L119 WeakPolarHBondContact ND1-CD1 3.37Å; H112-H120 WeakPolarHBondContact CA-O 3.25Å; H112-H120 PolarHBondContact ND1-O 2.98Å; H112-L121 VanDerWaalsContact CE1-CB 3.5Å; H112-L121 WeakPolarHBondContact CE1-CB 3.28Å
113W98.8Very high98.2Very high46 Ų4649 Ų4917%0.17428%0.278CS..EExtended strand (participates in β ladder)trans-148.7159169.772.799.9000111.7Y6 K96 T111 E115 H120 E122Y6-W113 WeakPolarHBondContact OH-CA 3.43Å; K96-W113 HydrophobicContact CB-CB 4.35Å; K96-W113 HydrophobicContact CD-CB 4.21Å; K96-W113 HydrophobicContact CG-CB 3.82Å; T111-W113 HydrophobicContact CG2-CE3 4.29Å; W113-E115 PolarHBondContact NE1-OE1 2.81Å; W113-H120 HydrophobicContact CD2-CB 3.36Å; W113-H120 AromaticContact CE2-CG 3.45Å; W113-H120 VanDerWaalsContact CE2-CG 3.45Å; W113-H120 AromaticContact CE2-ND1 3.7Å; W113-H120 HydrophobicContact CE3-CB 3.65Å; W113-H120 HydrophobicContact CG-CB 4Å; W113-H120 HydrophobicContact CH2-CB 3.62Å; W113-H120 HydrophobicContact CZ2-CB 3.33Å; W113-H120 AromaticContact CZ2-CG 3.59Å; W113-H120 AromaticContact CZ2-ND1 3.44Å; W113-H120 WeakPolarHBondContact CZ2-ND1 3.47Å; W113-H120 HydrophobicContact CZ3-CB 3.77Å; W113-H120 PolarHBondContact N-O 3.35Å; W113-H120 AromaticContact NE1-CD2 3.84Å; W113-H120 AromaticContact NE1-CG 3.5Å; W113-H120 AromaticContact NE1-ND1 3.79Å; W113-H120 PolarHBondContact O-N 2.96Å; W113-E122 HydrophobicContact CH2-CB 4.37Å; W113-E122 HydrophobicContact CZ3-CB 3.94Å
114L98.4Very high98.3Very high51 Ų5149.2 Ų49.227%0.26727%0.265SS..EExtended strand (participates in β ladder)trans-107.9137.7179.3-65.8173.5000111P4 Y6 F10 K118 L119P4-L114 HydrophobicContact CB-CD1 4Å; Y6-L114 HydrophobicContact CD1-CD1 4.15Å; Y6-L114 HydrophobicContact CD1-CD2 4.12Å; Y6-L114 HydrophobicContact CD1-CG 3.97Å; Y6-L114 HydrophobicContact CD2-CD1 4.3Å; Y6-L114 HydrophobicContact CE1-CD1 4.23Å; Y6-L114 HydrophobicContact CE1-CD2 4.19Å; Y6-L114 HydrophobicContact CE1-CG 3.73Å; Y6-L114 HydrophobicContact CE2-CD1 4.34Å; Y6-L114 HydrophobicContact CG-CD1 4.19Å; Y6-L114 HydrophobicContact CG-CG 4.5Å; F10-L114 HydrophobicContact CE1-CD2 4.27Å; F10-L114 HydrophobicContact CZ-CD2 4.35Å; L114-K118 WeakPolarHBondContact CA-O 3.35Å; L114-L119 HydrophobicContact CD2-CB 4.13Å; L114-L119 HydrophobicContact CD2-CD1 3.8Å
115E97.9Very high98.4Very high106 Ų10643.1 Ų43.150%0.49524%0.236SC..EExtended strand (participates in β ladder)trans-132.892.1169.8-69.2179.8-161.400108.6W113 D117 K118 H120W113-E115 PolarHBondContact NE1-OE1 2.81Å; E115-D117 PolarHBondContact O-N 3.49Å; E115-K118 PolarHBondContact N-O 3.45Å; E115-K118 WeakPolarHBondContact O-CB 3.44Å; E115-K118 PolarHBondContact O-N 3.41Å; E115-K118 VanDerWaalsContact O-N 3.07Å; E115-H120 IonicContact OE1-CE1 3.88Å; E115-H120 IonicContact OE1-NE2 3.95Å; E115-H120 IonicContact OE2-CE1 3.58Å; E115-H120 IonicContact OE2-NE2 3.41Å; E115-H120 PolarHBondContact OE2-NE2 3.29Å
116G96.6Very high98.4Very high80 Ų8043.4 Ų43.483%0.82525%0.251SS*.THydrogen-bonded Turntrans64.3-120.1-173.800000112K118G116-K118 VanDerWaalsContact C-N 3.26Å
117D97.8Very high98.4Very high69 Ų6943.4 Ų43.437%0.36926%0.256SS..THydrogen-bonded Turntrans-86.17.4176.470.3-25.2000113.2E115 K135 K136E115-D117 PolarHBondContact O-N 3.49Å; D117-K135 WeakPolarHBondContact OD2-CE 3.41Å; D117-K136 HydrophobicContact CB-CB 4.32Å; D117-K136 VanDerWaalsContact O-CB 3.3Å; D117-K136 WeakPolarHBondContact O-CB 3.4Å; D117-K136 PolarHBondContact O-N 2.81Å
118K98.5Very high98.4Very high89 Ų8942.6 Ų42.639%0.38724%0.24SC..EExtended strand (participates in β ladder)trans-104.5133.3-177.2-65170.6-174.4175.60112.1L114 E115 G116 L133 F134L114-K118 WeakPolarHBondContact CA-O 3.35Å; E115-K118 PolarHBondContact N-O 3.45Å; E115-K118 WeakPolarHBondContact O-CB 3.44Å; E115-K118 PolarHBondContact O-N 3.41Å; E115-K118 VanDerWaalsContact O-N 3.07Å; G116-K118 VanDerWaalsContact C-N 3.26Å; K118-L133 HydrophobicContact CB-CD1 3.88Å; K118-L133 HydrophobicContact CD-CD1 4.18Å; K118-L133 HydrophobicContact CD-CD2 4.48Å; K118-L133 HydrophobicContact CG-CD1 4.21Å; K118-F134 CarbonylContact C-O 3.58Å; K118-F134 VanDerWaalsContact CA-O 3.32Å; K118-F134 WeakPolarHBondContact CA-O 3.36Å
119L98.8Very high98.4Very high0 Ų044.5 Ų44.50%025%0.252CS..EExtended strand (participates in β ladder)trans-103.2114.3166.7174.869.8000108.6Y6 F10 K42 I44 H112 L114 F134Y6-L119 HydrophobicContact CD1-CD1 3.71Å; Y6-L119 HydrophobicContact CE1-CD1 3.78Å; F10-L119 HydrophobicContact CB-CD2 4.28Å; F10-L119 HydrophobicContact CD1-CB 3.49Å; F10-L119 VanDerWaalsContact CD1-CB 3.49Å; F10-L119 HydrophobicContact CD1-CD2 4.27Å; F10-L119 HydrophobicContact CD2-CD2 3.99Å; F10-L119 HydrophobicContact CE1-CB 3.71Å; F10-L119 HydrophobicContact CE2-CD2 4.37Å; F10-L119 HydrophobicContact CG-CB 4.01Å; F10-L119 HydrophobicContact CG-CD2 3.94Å; F10-L119 HydrophobicContact CZ-CB 4.38Å; K42-L119 HydrophobicContact CD-CD2 3.99Å; I44-L119 HydrophobicContact CD1-CD2 3.66Å; H112-L119 HydrophobicContact CB-CD1 4.37Å; H112-L119 WeakPolarHBondContact ND1-CD1 3.37Å; L114-L119 HydrophobicContact CD2-CB 4.13Å; L114-L119 HydrophobicContact CD2-CD1 3.8Å; L119-F134 HydrophobicContact CB-CB 4.25Å; L119-F134 PolarHBondContact N-O 2.87Å; L119-F134 PolarHBondContact O-N 2.88Å
120H98.8Very high98.4Very high31 Ų3144.4 Ų44.414%0.14425%0.251CS..EExtended strand (participates in β ladder)trans-93.8142.5175.8-68.1-114.4000110H112 W113 E115 L133H112-H120 WeakPolarHBondContact CA-O 3.25Å; H112-H120 PolarHBondContact ND1-O 2.98Å; W113-H120 HydrophobicContact CD2-CB 3.36Å; W113-H120 AromaticContact CE2-CG 3.45Å; W113-H120 VanDerWaalsContact CE2-CG 3.45Å; W113-H120 AromaticContact CE2-ND1 3.7Å; W113-H120 HydrophobicContact CE3-CB 3.65Å; W113-H120 HydrophobicContact CG-CB 4Å; W113-H120 HydrophobicContact CH2-CB 3.62Å; W113-H120 HydrophobicContact CZ2-CB 3.33Å; W113-H120 AromaticContact CZ2-CG 3.59Å; W113-H120 AromaticContact CZ2-ND1 3.44Å; W113-H120 WeakPolarHBondContact CZ2-ND1 3.47Å; W113-H120 HydrophobicContact CZ3-CB 3.77Å; W113-H120 PolarHBondContact N-O 3.35Å; W113-H120 AromaticContact NE1-CD2 3.84Å; W113-H120 AromaticContact NE1-CG 3.5Å; W113-H120 AromaticContact NE1-ND1 3.79Å; W113-H120 PolarHBondContact O-N 2.96Å; E115-H120 IonicContact OE1-CE1 3.88Å; E115-H120 IonicContact OE1-NE2 3.95Å; E115-H120 IonicContact OE2-CE1 3.58Å; E115-H120 IonicContact OE2-NE2 3.41Å; E115-H120 PolarHBondContact OE2-NE2 3.29Å; H120-L133 WeakPolarHBondContact NE2-CD1 2.97Å
121L98.9Very high98.4Very high6 Ų649.1 Ų49.13%0.03127%0.269CS..EExtended strand (participates in β ladder)trans-132.6124175.7175.554000109.3W110 T111 H112 M123 R131 Q132 F134W110-L121 HydrophobicContact CB-CD1 3.77Å; W110-L121 HydrophobicContact CD2-CD1 4.45Å; W110-L121 HydrophobicContact CE3-CD1 4.41Å; W110-L121 HydrophobicContact CG-CD1 4.25Å; T111-L121 WeakPolarHBondContact O-CA 3.39Å; H112-L121 VanDerWaalsContact CE1-CB 3.5Å; H112-L121 WeakPolarHBondContact CE1-CB 3.28Å; L121-M123 HydrophobicContact CD1-CG 3.99Å; L121-M123 HydrophobicContact CD2-CE 4.48Å; L121-M123 HydrophobicContact CD2-CG 4.08Å; L121-M123 HydrophobicContact CD2-SD 4.03Å; L121-M123 HydrophobicContact CG-CG 3.87Å; L121-M123 HydrophobicContact CG-SD 4.41Å; L121-R131 CarbonylContact O-C 3.53Å; L121-R131 VanDerWaalsContact O-CA 3.3Å; L121-R131 WeakPolarHBondContact O-CA 3.37Å; L121-Q132 HydrophobicContact CB-CB 4.23Å; L121-Q132 PolarHBondContact N-O 3.03Å; L121-Q132 PolarHBondContact O-N 2.79Å; L121-F134 HydrophobicContact CB-CE2 4.22Å; L121-F134 HydrophobicContact CD2-CE2 4.25Å
122E98.9Very high98.4Very high38 Ų3849 Ų4918%0.17827%0.268CS..EExtended strand (participates in β ladder)trans-111.4123.1165.6-174.4-179.488.500108.9W110 T111 W113 R124 V129 A130 R131W110-E122 CarbonylContact C-O 3.52Å; W110-E122 WeakPolarHBondContact CA-O 3.48Å; W110-E122 VanDerWaalsContact CB-O 3.28Å; W110-E122 WeakPolarHBondContact CB-O 3.46Å; T111-E122 PolarHBondContact N-O 3.23Å; T111-E122 PolarHBondContact O-N 3.14Å; W113-E122 HydrophobicContact CH2-CB 4.37Å; W113-E122 HydrophobicContact CZ3-CB 3.94Å; E122-R124 HydrophobicContact CG-CG 4.43Å; E122-R124 IonicContact OE1-NH1 3.35Å; E122-R124 PolarHBondContact OE1-NH1 3.24Å; E122-V129 HydrophobicContact CG-CG1 3.39Å; E122-A130 CarbonylContact C-O 3.48Å; E122-A130 WeakPolarHBondContact CA-O 3.28Å; E122-R131 HydrophobicContact CB-CG 4.42Å; E122-R131 HydrophobicContact CG-CG 4.18Å; E122-R131 IonicContact OE2-CZ 3.31Å; E122-R131 VanDerWaalsContact OE2-CZ 3.31Å; E122-R131 IonicContact OE2-NE 3.01Å; E122-R131 PolarHBondContact OE2-NE 3.32Å; E122-R131 IonicContact OE2-NH2 2.77Å; E122-R131 PolarHBondContact OE2-NH2 2.81Å
123M98.8Very high98.4Very high17 Ų1750.4 Ų50.48%0.08428%0.275CS..EExtended strand (participates in β ladder)trans-108.2141.7177-62169.3-70.900109.4F18 Y21 W110 L121 V129 A130 Q132F18-M123 HydrophobicContact CD2-CE 3.57Å; F18-M123 HydrophobicContact CE2-CE 3.63Å; F18-M123 HydrophobicContact CE2-SD 4.03Å; Y21-M123 HydrophobicContact CD2-CB 4.04Å; Y21-M123 HydrophobicContact CE1-CB 4.28Å; Y21-M123 HydrophobicContact CE1-SD 4.18Å; Y21-M123 HydrophobicContact CE2-CB 3.67Å; W110-M123 HydrophobicContact CB-CG 4.22Å; L121-M123 HydrophobicContact CD1-CG 3.99Å; L121-M123 HydrophobicContact CD2-CE 4.48Å; L121-M123 HydrophobicContact CD2-CG 4.08Å; L121-M123 HydrophobicContact CD2-SD 4.03Å; L121-M123 HydrophobicContact CG-CG 3.87Å; L121-M123 HydrophobicContact CG-SD 4.41Å; M123-V129 CarbonylContact O-C 3.48Å; M123-V129 WeakPolarHBondContact O-CA 3.28Å; M123-A130 HydrophobicContact CE-CB 4.08Å; M123-A130 PolarHBondContact N-O 2.96Å; M123-A130 PolarHBondContact O-N 3.46Å; M123-Q132 HydrophobicContact CE-CG 3.83Å
124R98.8Very high98.4Very high52 Ų5248.2 Ų48.220%0.19627%0.267CS..EExtended strand (participates in β ladder)trans-135.5142.1-173.4-60.5175.7-68.9-88.7-3.3110.8G107 R108 G109 W110 T111 E122 V128 V129G107-R124 CarbonylContact O-C 3.6Å; R108-R124 VanDerWaalsContact CA-O 3.3Å; R108-R124 WeakPolarHBondContact CA-O 3.08Å; G109-R124 PolarHBondContact N-O 3.27Å; G109-R124 PolarHBondContact O-N 3.49Å; W110-R124 PolarHBondContact O-NH2 2.67Å; W110-R124 VanDerWaalsContact O-NH2 3.12Å; T111-R124 VanDerWaalsContact OG1-CZ 3.27Å; T111-R124 PolarHBondContact OG1-NH1 3.37Å; T111-R124 PolarHBondContact OG1-NH2 3.23Å; E122-R124 HydrophobicContact CG-CG 4.43Å; E122-R124 IonicContact OE1-NH1 3.35Å; E122-R124 PolarHBondContact OE1-NH1 3.24Å; R124-V128 WeakPolarHBondContact CA-O 3.3Å; R124-V129 HydrophobicContact CG-CG1 4.48Å; R124-V129 HydrophobicContact CG-CG2 4.23Å
125V98.6Very high98.4Very high5 Ų550.1 Ų50.13%0.0327%0.273CS..EExtended strand (participates in β ladder)trans-156.3126.2166.960.20000109Y21 A24 L25 K105 R108 D127 V128Y21-V125 HydrophobicContact CD2-CB 4.44Å; Y21-V125 HydrophobicContact CD2-CG1 3.62Å; Y21-V125 HydrophobicContact CE2-CB 4.07Å; Y21-V125 HydrophobicContact CE2-CG1 3.68Å; Y21-V125 HydrophobicContact CG-CG1 4.5Å; A24-V125 HydrophobicContact CB-CG1 3.59Å; L25-V125 HydrophobicContact CD2-CB 4.23Å; L25-V125 HydrophobicContact CD2-CG1 4.25Å; L25-V125 HydrophobicContact CD2-CG2 3.92Å; L25-V125 HydrophobicContact CG-CG1 4.3Å; K105-V125 HydrophobicContact CB-CG2 3.73Å; K105-V125 HydrophobicContact CD-CG2 4.31Å; K105-V125 HydrophobicContact CG-CG2 4.26Å; R108-V125 HydrophobicContact CB-CG2 4.32Å; R108-V125 HydrophobicContact CG-CG2 4.5Å; V125-D127 PolarHBondContact O-N 2.99Å; V125-V128 PolarHBondContact N-O 2.91Å; V125-V128 WeakPolarHBondContact O-CB 3.36Å; V125-V128 PolarHBondContact O-N 3.39Å
126G97.4Very high98.5Very high46 Ų4649.1 Ų49.147%0.47427%0.267SS..THydrogen-bonded Turntrans50.6-129.4-165.300000110.8E106 V128E106-G126 PolarHBondContact O-N 3.16Å; G126-V128 VanDerWaalsContact C-N 3.33Å
127D97.3Very high98.5Very high170 Ų17047 Ų4791%0.90924%0.241SC*.THydrogen-bonded Turntrans-88.11.7176.8-58.6-42.6000113.7V125V125-D127 PolarHBondContact O-N 2.99Å
128V98.6Very high97.8Very high40 Ų4054 Ų5424%0.24228%0.279CS..EExtended strand (participates in β ladder)trans-92.2130.2-175.6-176.70000110.7N20 A24 R124 V125 G126N20-V128 HydrophobicContact CB-CG1 4.24Å; A24-V128 HydrophobicContact CB-CB 4.24Å; A24-V128 HydrophobicContact CB-CG2 3.96Å; R124-V128 WeakPolarHBondContact CA-O 3.3Å; V125-V128 PolarHBondContact N-O 2.91Å; V125-V128 WeakPolarHBondContact O-CB 3.36Å; V125-V128 PolarHBondContact O-N 3.39Å; G126-V128 VanDerWaalsContact C-N 3.33Å
129V98.8Very high97.8Very high47 Ų4752.3 Ų52.329%0.28527%0.274SS..EExtended strand (participates in β ladder)trans-122129.7177.8-175.60000110.2N17 E122 M123 R124N17-V129 WeakPolarHBondContact CB-O 3.39Å; N17-V129 PolarHBondContact ND2-O 3.48Å; E122-V129 HydrophobicContact CG-CG1 3.39Å; M123-V129 CarbonylContact O-C 3.48Å; M123-V129 WeakPolarHBondContact O-CA 3.28Å; R124-V129 HydrophobicContact CG-CG1 4.48Å; R124-V129 HydrophobicContact CG-CG2 4.23Å
130A98.8Very high97.7Very high0 Ų055.1 Ų55.10%029%0.288CS..EExtended strand (participates in β ladder)trans-120150.6169.900000110.6D16 F18 Y21 E122 M123D16-A130 WeakPolarHBondContact O-CA 3.38Å; D16-A130 WeakPolarHBondContact O-CB 3.45Å; F18-A130 HydrophobicContact CD2-CB 4.41Å; Y21-A130 HydrophobicContact CD2-CB 4.5Å; Y21-A130 HydrophobicContact CG-CB 4.05Å; E122-A130 CarbonylContact C-O 3.48Å; E122-A130 WeakPolarHBondContact CA-O 3.28Å; M123-A130 HydrophobicContact CE-CB 4.08Å; M123-A130 PolarHBondContact N-O 2.96Å; M123-A130 PolarHBondContact O-N 3.46Å
131R98.8Very high97.7Very high119 Ų11956.4 Ų56.445%0.44930%0.296SS..EExtended strand (participates in β ladder)trans-127.2140.1-179-65.7-173.9-180101.13.1111.2Q15 D16 L121 E122Q15-R131 CarbonylContact C-O 3.52Å; Q15-R131 WeakPolarHBondContact CA-O 3.34Å; D16-R131 PolarHBondContact N-O 3.24Å; D16-R131 PolarHBondContact O-N 3.37Å; L121-R131 CarbonylContact O-C 3.53Å; L121-R131 VanDerWaalsContact O-CA 3.3Å; L121-R131 WeakPolarHBondContact O-CA 3.37Å; E122-R131 HydrophobicContact CB-CG 4.42Å; E122-R131 HydrophobicContact CG-CG 4.18Å; E122-R131 IonicContact OE2-CZ 3.31Å; E122-R131 VanDerWaalsContact OE2-CZ 3.31Å; E122-R131 IonicContact OE2-NE 3.01Å; E122-R131 PolarHBondContact OE2-NE 3.32Å; E122-R131 IonicContact OE2-NH2 2.77Å; E122-R131 PolarHBondContact OE2-NH2 2.81Å
132Q98.8Very high97.6Very high14 Ų1459.4 Ų59.47%0.06531%0.312CS..EExtended strand (participates in β ladder)trans-129.7144.1171.8-66.9177.2-17.800109.1M12 S14 Q15 L121 M123 F134M12-Q132 HydrophobicContact CE-CB 4.23Å; M12-Q132 HydrophobicContact CE-CG 3.77Å; M12-Q132 VanDerWaalsContact CE-NE2 3.26Å; S14-Q132 WeakPolarHBondContact O-CA 3.34Å; Q15-Q132 HydrophobicContact CB-CG 4.2Å; Q15-Q132 HydrophobicContact CG-CG 4.14Å; L121-Q132 HydrophobicContact CB-CB 4.23Å; L121-Q132 PolarHBondContact N-O 3.03Å; L121-Q132 PolarHBondContact O-N 2.79Å; M123-Q132 HydrophobicContact CE-CG 3.83Å; Q132-F134 HydrophobicContact CB-CD2 4.38Å; Q132-F134 HydrophobicContact CB-CE2 3.55Å; Q132-F134 HydrophobicContact CB-CZ 4.07Å; Q132-F134 VanDerWaalsContact OE1-CZ 3.31Å
133L98.8Very high97.5Very high32 Ų3260.7 Ų60.717%0.16832%0.32CS..EExtended strand (participates in β ladder)trans-118.8133174.2-17862.8000108.4V13 S14 K118 H120V13-L133 HydrophobicContact CB-CB 4.46Å; V13-L133 HydrophobicContact CB-CD2 4.4Å; V13-L133 HydrophobicContact CB-CG 4.29Å; V13-L133 HydrophobicContact CG1-CD2 4.31Å; V13-L133 PolarHBondContact N-O 2.97Å; S14-L133 PolarHBondContact N-O 3.11Å; S14-L133 PolarHBondContact O-N 3.44Å; S14-L133 WeakPolarHBondContact OG-CB 3.37Å; K118-L133 HydrophobicContact CB-CD1 3.88Å; K118-L133 HydrophobicContact CD-CD1 4.18Å; K118-L133 HydrophobicContact CD-CD2 4.48Å; K118-L133 HydrophobicContact CG-CD1 4.21Å; H120-L133 WeakPolarHBondContact NE2-CD1 2.97Å
134F98.8Very high97.4Very high0 Ų063.6 Ų63.60%034%0.336CS..EExtended strand (participates in β ladder)trans-123.2146.9174-54.1-106.8000109.9F10 H11 M12 P40 K42 K118 L119 L121 Q132F10-F134 HydrophobicContact CB-CB 3.68Å; F10-F134 HydrophobicContact CB-CG 4.45Å; H11-F134 CarbonylContact O-C 3.53Å; H11-F134 WeakPolarHBondContact O-CA 3.3Å; M12-F134 VanDerWaalsContact CA-CD1 3.49Å; M12-F134 HydrophobicContact CB-CD1 3.88Å; M12-F134 HydrophobicContact CB-CE1 3.78Å; M12-F134 HydrophobicContact CE-CE1 4.25Å; M12-F134 HydrophobicContact CE-CZ 3.99Å; M12-F134 HydrophobicContact CG-CE1 4.43Å; P40-F134 HydrophobicContact CB-CE1 4.43Å; P40-F134 HydrophobicContact CG-CE1 4.05Å; P40-F134 HydrophobicContact CG-CZ 4.33Å; K42-F134 HydrophobicContact CD-CD1 4.36Å; K42-F134 HydrophobicContact CD-CD2 4.39Å; K42-F134 HydrophobicContact CD-CE1 4.04Å; K42-F134 HydrophobicContact CD-CE2 4.07Å; K42-F134 HydrophobicContact CD-CZ 3.91Å; K42-F134 HydrophobicContact CG-CD1 4.35Å; K42-F134 HydrophobicContact CG-CE1 4Å; K42-F134 HydrophobicContact CG-CZ 4.31Å; K118-F134 CarbonylContact C-O 3.58Å; K118-F134 VanDerWaalsContact CA-O 3.32Å; K118-F134 WeakPolarHBondContact CA-O 3.36Å; L119-F134 HydrophobicContact CB-CB 4.25Å; L119-F134 PolarHBondContact N-O 2.87Å; L119-F134 PolarHBondContact O-N 2.88Å; L121-F134 HydrophobicContact CB-CE2 4.22Å; L121-F134 HydrophobicContact CD2-CE2 4.25Å; Q132-F134 HydrophobicContact CB-CD2 4.38Å; Q132-F134 HydrophobicContact CB-CE2 3.55Å; Q132-F134 HydrophobicContact CB-CZ 4.07Å; Q132-F134 VanDerWaalsContact OE1-CZ 3.31Å
135K98.6Very high97.4Very high91 Ų9164.4 Ų64.440%0.39635%0.346SS..EExtended strand (participates in β ladder)trans-106.1134173.1-170-173.6179.9-160.80109.2F10 H11 V13 D117F10-K135 CarbonylContact C-O 3.49Å; F10-K135 VanDerWaalsContact CA-O 3.25Å; F10-K135 WeakPolarHBondContact CA-O 3.41Å; H11-K135 PolarHBondContact N-O 2.85Å; H11-K135 PolarHBondContact O-N 3.35Å; V13-K135 HydrophobicContact CG2-CB 3.61Å; D117-K135 WeakPolarHBondContact OD2-CE 3.41Å
136K98.5Very high97.3Very high86 Ų8669 Ų6937%0.37437%0.37SS..EExtended strand (participates in β ladder)trans-61.2135.6174-162.7170.2-179.9167.20109.3T7 T9 F10 D117T7-K136 PolarHBondContact O-NZ 3.37Å; T7-K136 VanDerWaalsContact O-NZ 3.11Å; T9-K136 CarbonylContact O-C 3.58Å; T9-K136 WeakPolarHBondContact O-CA 3.43Å; F10-K136 HydrophobicContact CD1-CB 3.76Å; F10-K136 HydrophobicContact CD1-CG 4.15Å; F10-K136 HydrophobicContact CE1-CB 3.67Å; F10-K136 HydrophobicContact CE1-CD 4.06Å; F10-K136 HydrophobicContact CE1-CG 3.81Å; F10-K136 HydrophobicContact CZ-CD 4.18Å; F10-K136 HydrophobicContact CZ-CG 4.17Å; D117-K136 HydrophobicContact CB-CB 4.32Å; D117-K136 VanDerWaalsContact O-CB 3.3Å; D117-K136 WeakPolarHBondContact O-CB 3.4Å; D117-K136 PolarHBondContact O-N 2.81Å
137A96.6Very high97.2Very high35 Ų3570.9 Ų70.929%0.28936%0.361SS..  trans-64.8144.4169.600000109.3T9T9-A137 HydrophobicContact CG2-CB 4.22Å; T9-A137 PolarHBondContact O-N 2.97Å
138D84.6Confident97.2Very high217 Ų21761.9 Ų61.9100%1.1631%0.312SS*.  trans-650175.9-60.1-41.3000111.8

Retrieved 138 of 138 residues in 147 ms (Link to these results)

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