A0A060WAG7_ONCMY Loading...

Fatty acid binding protein 7, brain, b

AlphaFold DB , UniProt , Accession A0A060WAG7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110529571, Length 132 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
1M83.6Confident95.1Very high172 Ų17251.5 Ų51.585%0.84729%0.29SS*.  0147.40-73.8-175.5-95.500108.8D3 A4M1-D3 PolarHBondContact O-N 3.15Å; M1-A4 PolarHBondContact O-N 3.12Å
2V91.6Very high95.3Very high8 Ų852.3 Ų52.35%0.04830%0.297CS..G310 helixtrans-62.6-22.3-178.971.70000112.9A4 F5 K45 V50 L67 L92V2-A4 PolarHBondContact O-N 3.32Å; V2-A4 VanDerWaalsContact O-N 3.13Å; V2-F5 WeakPolarHBondContact O-CB 3.41Å; V2-F5 PolarHBondContact O-N 2.93Å; V2-K45 HydrophobicContact CG1-CD 4.42Å; V2-V50 HydrophobicContact CG1-CG2 4.03Å; V2-V50 HydrophobicContact CG2-CG1 4.24Å; V2-V50 HydrophobicContact CG2-CG2 3.9Å; V2-L67 HydrophobicContact CB-CD1 4.11Å; V2-L67 HydrophobicContact CG1-CD1 4.2Å; V2-L92 HydrophobicContact CG2-CD1 4.1Å; V2-L92 HydrophobicContact CG2-CD2 4.44Å
3D93.6Very high95.4Very high73 Ų7355.5 Ų55.539%0.3931%0.313SS..G310 helixtrans-58.3-26.3177.6-49.2-90.2000112.6M1 F5 C6 K45M1-D3 PolarHBondContact O-N 3.15Å; D3-F5 PolarHBondContact O-N 2.76Å; D3-C6 WeakPolarHBondContact O-CB 3.47Å; D3-C6 PolarHBondContact O-N 2.84Å; D3-C6 VanDerWaalsContact O-N 3.13Å; D3-K45 VanDerWaalsContact OD1-CD 3.23Å; D3-K45 WeakPolarHBondContact OD1-CD 3.47Å; D3-K45 IonicContact OD1-NZ 3.12Å; D3-K45 PolarHBondContact OD1-NZ 3.21Å; D3-K45 VanDerWaalsContact OD1-NZ 3.12Å; D3-K45 IonicContact OD2-NZ 3.5Å
4A94.2Very high95.5Very high69 Ų6954.5 Ų54.557%0.5731%0.311SS*.G310 helixtrans-64.1-24.4174.300000113.3M1 V2M1-A4 PolarHBondContact O-N 3.12Å; V2-A4 PolarHBondContact O-N 3.32Å; V2-A4 VanDerWaalsContact O-N 3.13Å
5F96.8Very high95.6Very high5 Ų557.8 Ų57.82%0.02233%0.328CS..G310 helixtrans-88.6-14.2177.6-63.5-89.1000112.7V2 D3 A7 W9 I43 L87 D90 L92 R107 I109 L114V2-F5 WeakPolarHBondContact O-CB 3.41Å; V2-F5 PolarHBondContact O-N 2.93Å; D3-F5 PolarHBondContact O-N 2.76Å; F5-A7 PolarHBondContact O-N 2.87Å; F5-W9 PolarHBondContact O-NE1 3.27Å; F5-I43 HydrophobicContact CB-CD1 4.08Å; F5-I43 HydrophobicContact CB-CG2 4.32Å; F5-I43 WeakPolarHBondContact O-CB 2.93Å; F5-L87 HydrophobicContact CE2-CD1 4.11Å; F5-D90 WeakPolarHBondContact CZ-O 3.19Å; F5-L92 HydrophobicContact CD1-CB 4.44Å; F5-L92 HydrophobicContact CD2-CB 4.36Å; F5-L92 HydrophobicContact CE1-CB 4.11Å; F5-L92 HydrophobicContact CE2-CB 4.01Å; F5-L92 HydrophobicContact CG-CD2 4.43Å; F5-L92 HydrophobicContact CZ-CB 3.87Å; F5-R107 HydrophobicContact CD1-CB 4.41Å; F5-R107 HydrophobicContact CE1-CB 4.04Å; F5-R107 WeakPolarHBondContact CE1-O 3.42Å; F5-R107 WeakPolarHBondContact CZ-O 3.3Å; F5-I109 HydrophobicContact CD1-CD1 3.89Å; F5-I109 HydrophobicContact CD1-CG1 4.03Å; F5-I109 HydrophobicContact CE1-CD1 4.12Å; F5-I109 HydrophobicContact CE1-CG1 3.94Å; F5-I109 HydrophobicContact CZ-CG1 4.48Å; F5-L114 HydrophobicContact CD1-CD1 3.74Å; F5-L114 HydrophobicContact CE1-CD1 4.07Å
6C97.3Very high95.8Very high41 Ų4158.3 Ų58.328%0.27733%0.329SS..  trans-70.4101.3-175-69.30000110.9D3 I43D3-C6 WeakPolarHBondContact O-CB 3.47Å; D3-C6 PolarHBondContact O-N 2.84Å; D3-C6 VanDerWaalsContact O-N 3.13Å; C6-I43 CarbonylContact C-O 3.55Å; C6-I43 VanDerWaalsContact CA-O 3.23Å; C6-I43 WeakPolarHBondContact CA-O 3.45Å
7A97.8Very high95.8Very high17 Ų1756.8 Ų56.814%0.1432%0.318CS..EExtended strand (participates in β ladder)trans-169.7177.1177.100000110.3F5 W9 I43 K131F5-A7 PolarHBondContact O-N 2.87Å; A7-W9 HydrophobicContact CB-CD2 4.42Å; A7-W9 HydrophobicContact CB-CZ2 3.91Å; A7-I43 PolarHBondContact N-O 3Å; A7-I43 VanDerWaalsContact N-O 3.13Å; A7-I43 PolarHBondContact O-N 2.86Å; A7-K131 HydrophobicContact CB-CD 4.17Å; A7-K131 HydrophobicContact CB-CG 4.04Å
8T98.3Very high95.8Very high55 Ų5555.6 Ų55.634%0.33731%0.311SS..EExtended strand (participates in β ladder)trans-94128.2163.5-58.60000108.9T40 I42 K131 A132T8-T40 HydrophobicContact CG2-CG2 3.38Å; T8-I42 HydrophobicContact CG2-CG1 4.14Å; T8-K131 WeakPolarHBondContact O-CA 3.45Å; T8-A132 HydrophobicContact CG2-CB 3.62Å; T8-A132 PolarHBondContact O-N 3.39Å
9W98.3Very high95.9Very high6 Ų656.6 Ų56.62%0.02331%0.313CS..EExtended strand (participates in β ladder)trans-124121.5-173.4-61.6102.7000109.7F5 A7 T40 V41 I109 G112 L114 Y129 E130 K131F5-W9 PolarHBondContact O-NE1 3.27Å; A7-W9 HydrophobicContact CB-CD2 4.42Å; A7-W9 HydrophobicContact CB-CZ2 3.91Å; W9-T40 CarbonylContact O-C 3.49Å; W9-T40 VanDerWaalsContact O-CA 3.32Å; W9-T40 WeakPolarHBondContact O-CA 3.35Å; W9-V41 HydrophobicContact CB-CB 4.28Å; W9-V41 WeakPolarHBondContact CB-O 3.31Å; W9-V41 PolarHBondContact N-O 2.92Å; W9-V41 PolarHBondContact O-N 3.24Å; W9-I109 HydrophobicContact CH2-CD1 3.63Å; W9-I109 HydrophobicContact CZ2-CD1 3.58Å; W9-G112 WeakPolarHBondContact CZ3-O 3.49Å; W9-L114 HydrophobicContact CB-CD2 3.97Å; W9-L114 HydrophobicContact CD2-CB 3.53Å; W9-L114 HydrophobicContact CD2-CD2 3.9Å; W9-L114 HydrophobicContact CD2-CG 4.3Å; W9-L114 HydrophobicContact CE3-CB 3.45Å; W9-L114 VanDerWaalsContact CE3-CB 3.45Å; W9-L114 HydrophobicContact CG-CB 4.1Å; W9-L114 HydrophobicContact CG-CD2 3.57Å; W9-L114 HydrophobicContact CG-CG 4.46Å; W9-L114 HydrophobicContact CH2-CB 4.15Å; W9-L114 HydrophobicContact CZ2-CB 4.21Å; W9-L114 HydrophobicContact CZ3-CB 3.78Å; W9-Y129 HydrophobicContact CB-CD1 4.27Å; W9-Y129 HydrophobicContact CB-CG 4.3Å; W9-E130 CarbonylContact C-O 3.58Å; W9-E130 WeakPolarHBondContact CA-O 3.26Å; W9-K131 HydrophobicContact CE3-CB 4.06Å; W9-K131 HydrophobicContact CH2-CB 4.29Å; W9-K131 HydrophobicContact CZ3-CB 3.73Å; W9-K131 HydrophobicContact CZ3-CG 4.38Å
10K97.6Very high96Very high106 Ų10654.1 Ų54.146%0.46130%0.298SS..EExtended strand (participates in β ladder)trans-102.4130178.9-72.5171.9-179.6166.90110.1V12 T40 Y129 E130 A132K10-V12 PolarHBondContact O-N 2.92Å; K10-T40 HydrophobicContact CG-CG2 4.39Å; K10-Y129 CarbonylContact O-C 3.58Å; K10-Y129 WeakPolarHBondContact O-CA 3.42Å; K10-Y129 WeakPolarHBondContact O-CB 3.39Å; K10-E130 PolarHBondContact N-O 3.18Å; K10-E130 PolarHBondContact O-N 3.41Å; K10-A132 HydrophobicContact CD-CB 3.89Å; K10-A132 HydrophobicContact CG-CB 4.08Å
11L97.4Very high96Very high14 Ų1452.2 Ų52.27%0.07329%0.288CS..EExtended strand (participates in β ladder)trans-63.4128.6177.1-173.479.5000110.3D13 P39 R127 Y129L11-D13 VanDerWaalsContact CD1-O 3.32Å; L11-D13 WeakPolarHBondContact CD1-O 3.42Å; L11-P39 HydrophobicContact CB-CG 4.42Å; L11-P39 HydrophobicContact CD2-CG 4.45Å; L11-P39 PolarHBondContact N-O 2.9Å; L11-R127 HydrophobicContact CD1-CB 3.75Å; L11-R127 HydrophobicContact CD1-CG 4.26Å; L11-Y129 VanDerWaalsContact CA-CD1 3.49Å; L11-Y129 HydrophobicContact CB-CD1 3.87Å; L11-Y129 HydrophobicContact CB-CE1 3.72Å; L11-Y129 HydrophobicContact CD1-CD1 4.11Å; L11-Y129 HydrophobicContact CD1-CD2 4.14Å; L11-Y129 HydrophobicContact CD1-CE1 3.71Å; L11-Y129 HydrophobicContact CD1-CE2 3.74Å; L11-Y129 HydrophobicContact CD1-CG 4.28Å; L11-Y129 VanDerWaalsContact CD1-CZ 3.5Å; L11-Y129 HydrophobicContact CG-CE1 4.35Å; L11-Y129 VanDerWaalsContact N-CD1 3.31Å
12V96.9Very high96.6Very high62 Ų6248.6 Ų48.638%0.37627%0.267SS..EExtended strand (participates in β ladder)trans-116.9-27.5176.2-65.30000113.1K10 T128 E130K10-V12 PolarHBondContact O-N 2.92Å; V12-T128 HydrophobicContact CG2-CG2 4.23Å; V12-T128 VanDerWaalsContact CG2-O 3.31Å; V12-T128 WeakPolarHBondContact CG2-O 3.49Å; V12-T128 PolarHBondContact N-O 3.13Å; V12-E130 HydrophobicContact CB-CG 4.45Å; V12-E130 HydrophobicContact CG1-CB 3.91Å; V12-E130 HydrophobicContact CG1-CG 3.82Å; V12-E130 HydrophobicContact CG2-CG 3.85Å
13D97Very high96.8Very high93 Ų9349.9 Ų49.950%0.49728%0.279SS..EExtended strand (participates in β ladder)trans-148.2148.3-177.6-179.462.5000111.2L11 T128L11-D13 VanDerWaalsContact CD1-O 3.32Å; L11-D13 WeakPolarHBondContact CD1-O 3.42Å; D13-T128 PolarHBondContact N-O 3.22Å; D13-T128 PolarHBondContact O-N 3.13Å
14S96.6Very high96.8Very high42 Ų4247.2 Ų47.229%0.29426%0.264SS..EExtended strand (participates in β ladder)trans-152.2123.3-178.4-178.90000110.6F17 V126 R127S14-F17 WeakPolarHBondContact OG-CB 3.45Å; S14-V126 CarbonylContact C-O 3.58Å; S14-V126 WeakPolarHBondContact CA-O 3.32Å; S14-R127 PolarHBondContact OG-NH1 3.17Å
15D97.8Very high96.7Very high104 Ų10447 Ų4756%0.55627%0.269SS*.EExtended strand (participates in β ladder)trans-115.5141.3178.7-174.935.2000111.3F17 A125 V126D15-F17 PolarHBondContact O-N 3.35Å; D15-A125 WeakPolarHBondContact O-CA 3.26Å; D15-A125 WeakPolarHBondContact O-CB 3.18Å; D15-V126 PolarHBondContact N-O 3.12Å; D15-V126 PolarHBondContact O-N 3.13Å; D15-V126 VanDerWaalsContact O-N 3.08Å
16N97.6Very high96.5Very high66 Ų6647.5 Ų47.535%0.35327%0.273SS..SBendtrans52.319.7176.2-155.534.3000117.2D18 E19 Y20 V124 A125N16-D18 PolarHBondContact O-N 3.2Å; N16-E19 PolarHBondContact O-N 2.68Å; N16-E19 WeakPolarHBondContact OD1-CB 3.41Å; N16-Y20 PolarHBondContact O-N 2.71Å; N16-V124 WeakPolarHBondContact CB-O 3.44Å; N16-V124 PolarHBondContact ND2-O 3.2Å; N16-A125 HydrophobicContact CB-CB 4.46Å
17F96.4Very high96.3Very high32 Ų3247.7 Ų47.714%0.1428%0.282CS..Hα-helixtrans-70-29.7-174.7-171-119.4000113.8S14 D15 Y20 M21 L118 A125S14-F17 WeakPolarHBondContact OG-CB 3.45Å; D15-F17 PolarHBondContact O-N 3.35Å; F17-Y20 HydrophobicContact CD2-CD1 4.08Å; F17-Y20 HydrophobicContact CE2-CD1 4.02Å; F17-Y20 HydrophobicContact CE2-CE1 4.44Å; F17-Y20 PolarHBondContact O-N 3.01Å; F17-M21 HydrophobicContact CD1-CE 3.4Å; F17-M21 VanDerWaalsContact CD1-CE 3.4Å; F17-M21 HydrophobicContact CD1-CG 4.27Å; F17-M21 HydrophobicContact CD1-SD 3.87Å; F17-M21 HydrophobicContact CE1-CE 3.57Å; F17-M21 HydrophobicContact CE1-CG 3.95Å; F17-M21 HydrophobicContact CE1-SD 3.38Å; F17-M21 WeakPolarHBondContact CE1-SD 3.35Å; F17-M21 HydrophobicContact CE2-CG 4.18Å; F17-M21 HydrophobicContact CG-CE 4.2Å; F17-M21 HydrophobicContact CZ-CE 4.46Å; F17-M21 HydrophobicContact CZ-CG 3.9Å; F17-M21 HydrophobicContact CZ-SD 3.82Å; F17-M21 WeakPolarHBondContact O-CB 3.39Å; F17-M21 WeakPolarHBondContact O-CG 3.42Å; F17-M21 PolarHBondContact O-N 2.93Å; F17-L118 HydrophobicContact CE2-CD2 4.21Å; F17-A125 HydrophobicContact CD2-CB 4.5Å
18D96.2Very high96Very high36 Ų3653.2 Ų53.219%0.19330%0.303CS..Hα-helixtrans-63.1-47.6175.2-166.272000111.9N16 Y20 M21 K22 R31 N35N16-D18 PolarHBondContact O-N 3.2Å; D18-Y20 VanDerWaalsContact C-N 3.33Å; D18-Y20 PolarHBondContact O-N 3.13Å; D18-M21 PolarHBondContact O-N 2.94Å; D18-K22 VanDerWaalsContact O-CB 3.26Å; D18-K22 WeakPolarHBondContact O-CB 3.49Å; D18-K22 PolarHBondContact O-N 2.82Å; D18-R31 WeakPolarHBondContact O-CD 2.98Å; D18-R31 VanDerWaalsContact OD1-CB 3.23Å; D18-R31 WeakPolarHBondContact OD1-CB 3.23Å; D18-R31 IonicContact OD1-NE 2.66Å; D18-R31 PolarHBondContact OD1-NE 2.84Å; D18-R31 VanDerWaalsContact OD1-NE 3.13Å; D18-R31 IonicContact OD2-CZ 3.51Å; D18-R31 IonicContact OD2-NE 2.82Å; D18-R31 PolarHBondContact OD2-NE 2.87Å; D18-R31 IonicContact OD2-NH2 3.14Å; D18-R31 PolarHBondContact OD2-NH2 2.96Å; D18-N35 WeakPolarHBondContact CB-ND2 3.23Å; D18-N35 PolarHBondContact N-OD1 2.85Å; D18-N35 PolarHBondContact OD1-ND2 2.87Å
19E97.7Very high95.7Very high74 Ų7454 Ų5435%0.34631%0.314SS..Hα-helixtrans-66.5-38.1179.8-67.3-59.7134.700111.1N16 K22 A23 I123N16-E19 PolarHBondContact O-N 2.68Å; N16-E19 WeakPolarHBondContact OD1-CB 3.41Å; E19-K22 WeakPolarHBondContact O-CB 3.42Å; E19-K22 PolarHBondContact O-N 2.92Å; E19-K22 IonicContact OE1-NZ 3.26Å; E19-K22 PolarHBondContact OE1-NZ 2.89Å; E19-K22 IonicContact OE2-NZ 3.38Å; E19-K22 PolarHBondContact OE2-NZ 2.9Å; E19-A23 WeakPolarHBondContact O-CB 3.25Å; E19-A23 PolarHBondContact O-N 2.83Å; E19-I123 HydrophobicContact CB-CG2 4.4Å
20Y97.6Very high95.3Very high6 Ų656.3 Ų56.32%0.02433%0.329CS..Hα-helixtrans-59-50.3171.9173.6-93.2000112.1N16 F17 D18 K22 A23 L24 T103 F105 L118 F120 A125N16-Y20 PolarHBondContact O-N 2.71Å; F17-Y20 HydrophobicContact CD2-CD1 4.08Å; F17-Y20 HydrophobicContact CE2-CD1 4.02Å; F17-Y20 HydrophobicContact CE2-CE1 4.44Å; F17-Y20 PolarHBondContact O-N 3.01Å; D18-Y20 VanDerWaalsContact C-N 3.33Å; D18-Y20 PolarHBondContact O-N 3.13Å; Y20-K22 VanDerWaalsContact C-N 3.3Å; Y20-K22 PolarHBondContact O-N 2.83Å; Y20-A23 PolarHBondContact O-N 2.81Å; Y20-L24 HydrophobicContact CD1-CD1 4.17Å; Y20-L24 HydrophobicContact CE1-CD1 3.39Å; Y20-L24 HydrophobicContact CE1-CG 4.21Å; Y20-L24 PolarHBondContact O-N 2.82Å; Y20-L24 VanDerWaalsContact O-N 3.16Å; Y20-L24 WeakPolarHBondContact OH-CD1 3.39Å; Y20-T103 PolarHBondContact OH-OG1 2.87Å; Y20-F105 WeakPolarHBondContact OH-CE1 3.42Å; Y20-L118 HydrophobicContact CD1-CB 4.46Å; Y20-L118 HydrophobicContact CD1-CD2 4.25Å; Y20-L118 HydrophobicContact CD2-CB 3.98Å; Y20-L118 HydrophobicContact CE1-CB 4.22Å; Y20-L118 HydrophobicContact CE1-CD2 3.74Å; Y20-L118 HydrophobicContact CE2-CB 3.7Å; Y20-L118 HydrophobicContact CG-CB 4.37Å; Y20-F120 HydrophobicContact CD2-CB 4.07Å; Y20-F120 HydrophobicContact CE2-CB 3.6Å; Y20-A125 HydrophobicContact CG-CB 4.11Å
21M95.4Very high95.1Very high15 Ų1552.8 Ų52.87%0.07431%0.313CS..Hα-helixtrans-61.9-38.8176.5-75.7-172.3-67.500111.9F17 D18 L24 G25 V26 R31 N35F17-M21 HydrophobicContact CD1-CE 3.4Å; F17-M21 VanDerWaalsContact CD1-CE 3.4Å; F17-M21 HydrophobicContact CD1-CG 4.27Å; F17-M21 HydrophobicContact CD1-SD 3.87Å; F17-M21 HydrophobicContact CE1-CE 3.57Å; F17-M21 HydrophobicContact CE1-CG 3.95Å; F17-M21 HydrophobicContact CE1-SD 3.38Å; F17-M21 WeakPolarHBondContact CE1-SD 3.35Å; F17-M21 HydrophobicContact CE2-CG 4.18Å; F17-M21 HydrophobicContact CG-CE 4.2Å; F17-M21 HydrophobicContact CZ-CE 4.46Å; F17-M21 HydrophobicContact CZ-CG 3.9Å; F17-M21 HydrophobicContact CZ-SD 3.82Å; F17-M21 WeakPolarHBondContact O-CB 3.39Å; F17-M21 WeakPolarHBondContact O-CG 3.42Å; F17-M21 PolarHBondContact O-N 2.93Å; D18-M21 PolarHBondContact O-N 2.94Å; M21-L24 PolarHBondContact O-N 2.85Å; M21-G25 PolarHBondContact O-N 2.79Å; M21-V26 HydrophobicContact CB-CB 4.03Å; M21-V26 HydrophobicContact CB-CG1 4.5Å; M21-V26 HydrophobicContact CB-CG2 4.16Å; M21-V26 WeakPolarHBondContact O-CB 3.41Å; M21-V26 VanDerWaalsContact O-CG2 3.26Å; M21-V26 WeakPolarHBondContact O-CG2 3.48Å; M21-V26 PolarHBondContact O-N 2.86Å; M21-R31 HydrophobicContact CB-CG 3.84Å; M21-R31 HydrophobicContact CE-CB 3.81Å; M21-R31 HydrophobicContact CE-CG 4.24Å; M21-R31 HydrophobicContact SD-CB 4.4Å; M21-R31 HydrophobicContact SD-CG 4.38Å; M21-N35 WeakPolarHBondContact CE-ND2 3.36Å
22K96.1Very high94.9Very high96 Ų9656.6 Ų56.642%0.41733%0.331SS..Hα-helixtrans-63.7-43.2177.5177.7178.3160.3-154.20111.8D18 E19 Y20 L24 G25D18-K22 VanDerWaalsContact O-CB 3.26Å; D18-K22 WeakPolarHBondContact O-CB 3.49Å; D18-K22 PolarHBondContact O-N 2.82Å; E19-K22 WeakPolarHBondContact O-CB 3.42Å; E19-K22 PolarHBondContact O-N 2.92Å; E19-K22 IonicContact OE1-NZ 3.26Å; E19-K22 PolarHBondContact OE1-NZ 2.89Å; E19-K22 IonicContact OE2-NZ 3.38Å; E19-K22 PolarHBondContact OE2-NZ 2.9Å; Y20-K22 VanDerWaalsContact C-N 3.3Å; Y20-K22 PolarHBondContact O-N 2.83Å; K22-L24 VanDerWaalsContact C-N 3.28Å; K22-L24 PolarHBondContact O-N 3.09Å; K22-G25 WeakPolarHBondContact O-CA 3.42Å; K22-G25 PolarHBondContact O-N 2.79Å
23A95.9Very high94.6Very high35 Ų3556.1 Ų56.129%0.28933%0.328SS..Hα-helixtrans-63.4-35.2177.100000112.1E19 Y20 G25 F120 I123E19-A23 WeakPolarHBondContact O-CB 3.25Å; E19-A23 PolarHBondContact O-N 2.83Å; Y20-A23 PolarHBondContact O-N 2.81Å; A23-G25 PolarHBondContact O-N 3.28Å; A23-F120 HydrophobicContact CB-CD1 3.81Å; A23-F120 HydrophobicContact CB-CE1 4.3Å; A23-F120 WeakPolarHBondContact O-CE1 3.43Å; A23-I123 HydrophobicContact CB-CG1 4.1Å
24L93.9Very high94.2Very high17 Ų1752.4 Ų52.49%0.08931%0.311CS..THydrogen-bonded Turntrans-67.9-9.5171.3-69.7-179.8000114.4Y20 M21 K22 V26 W98 F120Y20-L24 HydrophobicContact CD1-CD1 4.17Å; Y20-L24 HydrophobicContact CE1-CD1 3.39Å; Y20-L24 HydrophobicContact CE1-CG 4.21Å; Y20-L24 PolarHBondContact O-N 2.82Å; Y20-L24 VanDerWaalsContact O-N 3.16Å; Y20-L24 WeakPolarHBondContact OH-CD1 3.39Å; M21-L24 PolarHBondContact O-N 2.85Å; K22-L24 VanDerWaalsContact C-N 3.28Å; K22-L24 PolarHBondContact O-N 3.09Å; L24-V26 HydrophobicContact CB-CG2 4.15Å; L24-W98 HydrophobicContact CD2-CH2 3.53Å; L24-W98 HydrophobicContact CD2-CZ2 3.76Å; L24-F120 HydrophobicContact CD2-CB 4.25Å; L24-F120 HydrophobicContact CD2-CD1 3.93Å; L24-F120 HydrophobicContact CD2-CD2 3.78Å; L24-F120 HydrophobicContact CD2-CE1 4.25Å; L24-F120 HydrophobicContact CD2-CE2 4.12Å; L24-F120 HydrophobicContact CD2-CG 3.69Å; L24-F120 HydrophobicContact CD2-CZ 4.35Å; L24-F120 HydrophobicContact CG-CD1 4.49Å
25G92.7Very high93.9Very high65 Ų6553.3 Ų53.367%0.6731%0.313SS*.THydrogen-bonded Turntrans86.913.8-176.500000114.2M21 K22 A23 G27M21-G25 PolarHBondContact O-N 2.79Å; K22-G25 WeakPolarHBondContact O-CA 3.42Å; K22-G25 PolarHBondContact O-N 2.79Å; A23-G25 PolarHBondContact O-N 3.28Å; G25-G27 PolarHBondContact O-N 3.08Å
26V93Very high93.5Very high16 Ų1653.8 Ų53.810%0.09732%0.319CS..  trans-67.7128.1178.7-177.30000110.1M21 L24 T30 R31 D77M21-V26 HydrophobicContact CB-CB 4.03Å; M21-V26 HydrophobicContact CB-CG1 4.5Å; M21-V26 HydrophobicContact CB-CG2 4.16Å; M21-V26 WeakPolarHBondContact O-CB 3.41Å; M21-V26 VanDerWaalsContact O-CG2 3.26Å; M21-V26 WeakPolarHBondContact O-CG2 3.48Å; M21-V26 PolarHBondContact O-N 2.86Å; L24-V26 HydrophobicContact CB-CG2 4.15Å; V26-T30 HydrophobicContact CG1-CG2 3.67Å; V26-R31 HydrophobicContact CB-CG 4.03Å; V26-R31 HydrophobicContact CG1-CG 3.81Å; V26-R31 WeakPolarHBondContact O-CD 3.33Å; V26-R31 WeakPolarHBondContact O-CG 3.5Å; V26-R31 PolarHBondContact O-NH1 2.75Å; V26-D77 HydrophobicContact CG2-CB 3.86Å
27G92.6Very high93.1Very high45 Ų4551.3 Ų51.346%0.46431%0.307SS..  trans-61.9146.5-179.200000113.2G25 A29 T30 R31G25-G27 PolarHBondContact O-N 3.08Å; G27-A29 VanDerWaalsContact C-N 3.33Å; G27-A29 PolarHBondContact O-N 2.83Å; G27-T30 PolarHBondContact O-N 2.8Å; G27-T30 VanDerWaalsContact O-N 3.09Å; G27-R31 WeakPolarHBondContact O-CG 3.23Å; G27-R31 PolarHBondContact O-N 2.8Å; G27-R31 VanDerWaalsContact O-N 3.12Å
28F91.9Very high92.9Very high133 Ų13357.3 Ų57.358%0.58333%0.333SS*.Hα-helixtrans-50.1-46-172.2178.8-104.6000114.2T30 R31 Q32F28-T30 PolarHBondContact O-N 2.82Å; F28-R31 PolarHBondContact O-N 2.82Å; F28-Q32 HydrophobicContact CD1-CG 4.35Å; F28-Q32 HydrophobicContact CE1-CG 3.92Å; F28-Q32 HydrophobicContact CE2-CG 4.15Å; F28-Q32 HydrophobicContact CZ-CG 3.81Å; F28-Q32 WeakPolarHBondContact O-CG 3.41Å; F28-Q32 PolarHBondContact O-N 2.94Å
29A90.7Very high92.8Very high70 Ų7056.1 Ų56.158%0.57933%0.327SS*.Hα-helixtrans-60.6-46.2-179.600000112.5G27 R31 Q32 V33G27-A29 VanDerWaalsContact C-N 3.33Å; G27-A29 PolarHBondContact O-N 2.83Å; A29-R31 VanDerWaalsContact C-N 3.28Å; A29-R31 PolarHBondContact O-N 3.38Å; A29-Q32 PolarHBondContact O-N 2.97Å; A29-V33 PolarHBondContact O-N 2.91Å
30T90.1Very high92.8Very high56 Ų5654.2 Ų54.234%0.34432%0.32SS..Hα-helixtrans-62.3-37.8176.8-54.50000111.3V26 G27 F28 V33 G34 F58V26-T30 HydrophobicContact CG1-CG2 3.67Å; G27-T30 PolarHBondContact O-N 2.8Å; G27-T30 VanDerWaalsContact O-N 3.09Å; F28-T30 PolarHBondContact O-N 2.82Å; T30-V33 PolarHBondContact O-N 2.83Å; T30-G34 PolarHBondContact O-N 2.79Å; T30-F58 HydrophobicContact CG2-CE1 4.1Å; T30-F58 HydrophobicContact CG2-CZ 4.29Å
31R93.9Very high92.8Very high32 Ų3254.1 Ų54.112%0.12132%0.321CS..Hα-helixtrans-65.2-43.6176.9-55.7-157.4-50.5-113.39112.8D18 M21 V26 G27 F28 A29 V33 G34 N35D18-R31 WeakPolarHBondContact O-CD 2.98Å; D18-R31 VanDerWaalsContact OD1-CB 3.23Å; D18-R31 WeakPolarHBondContact OD1-CB 3.23Å; D18-R31 IonicContact OD1-NE 2.66Å; D18-R31 PolarHBondContact OD1-NE 2.84Å; D18-R31 VanDerWaalsContact OD1-NE 3.13Å; D18-R31 IonicContact OD2-CZ 3.51Å; D18-R31 IonicContact OD2-NE 2.82Å; D18-R31 PolarHBondContact OD2-NE 2.87Å; D18-R31 IonicContact OD2-NH2 3.14Å; D18-R31 PolarHBondContact OD2-NH2 2.96Å; M21-R31 HydrophobicContact CB-CG 3.84Å; M21-R31 HydrophobicContact CE-CB 3.81Å; M21-R31 HydrophobicContact CE-CG 4.24Å; M21-R31 HydrophobicContact SD-CB 4.4Å; M21-R31 HydrophobicContact SD-CG 4.38Å; V26-R31 HydrophobicContact CB-CG 4.03Å; V26-R31 HydrophobicContact CG1-CG 3.81Å; V26-R31 WeakPolarHBondContact O-CD 3.33Å; V26-R31 WeakPolarHBondContact O-CG 3.5Å; V26-R31 PolarHBondContact O-NH1 2.75Å; G27-R31 WeakPolarHBondContact O-CG 3.23Å; G27-R31 PolarHBondContact O-N 2.8Å; G27-R31 VanDerWaalsContact O-N 3.12Å; F28-R31 PolarHBondContact O-N 2.82Å; A29-R31 VanDerWaalsContact C-N 3.28Å; A29-R31 PolarHBondContact O-N 3.38Å; R31-V33 VanDerWaalsContact C-N 3.29Å; R31-V33 PolarHBondContact O-N 2.87Å; R31-G34 PolarHBondContact O-N 2.9Å; R31-N35 PolarHBondContact O-N 2.96Å; R31-N35 PolarHBondContact O-ND2 3.23Å
32Q92.6Very high92.9Very high94 Ų9455.5 Ų55.544%0.43933%0.328SS..Hα-helixtrans-57.5-44.7177.2-68.7-59.3-68.200111.2F28 A29 V36F28-Q32 HydrophobicContact CD1-CG 4.35Å; F28-Q32 HydrophobicContact CE1-CG 3.92Å; F28-Q32 HydrophobicContact CE2-CG 4.15Å; F28-Q32 HydrophobicContact CZ-CG 3.81Å; F28-Q32 WeakPolarHBondContact O-CG 3.41Å; F28-Q32 PolarHBondContact O-N 2.94Å; A29-Q32 PolarHBondContact O-N 2.97Å; Q32-V36 PolarHBondContact O-N 2.77Å
33V90.4Very high93Very high52 Ų5251.1 Ų51.132%0.31531%0.309SS..Hα-helixtrans-67.4-43.4176.2-177.80000111.4A29 T30 R31 N35 V36 T37 F58A29-V33 PolarHBondContact O-N 2.91Å; T30-V33 PolarHBondContact O-N 2.83Å; R31-V33 VanDerWaalsContact C-N 3.29Å; R31-V33 PolarHBondContact O-N 2.87Å; V33-N35 VanDerWaalsContact C-N 3.3Å; V33-N35 PolarHBondContact O-N 2.77Å; V33-V36 WeakPolarHBondContact O-CG2 3.45Å; V33-V36 PolarHBondContact O-N 2.9Å; V33-T37 WeakPolarHBondContact O-CB 3.44Å; V33-T37 PolarHBondContact O-N 2.99Å; V33-T37 PolarHBondContact O-OG1 2.86Å; V33-F58 HydrophobicContact CB-CD2 4.36Å; V33-F58 HydrophobicContact CB-CE2 4.42Å; V33-F58 HydrophobicContact CG1-CB 3.86Å; V33-F58 HydrophobicContact CG1-CD1 4.18Å; V33-F58 HydrophobicContact CG1-CD2 3.48Å; V33-F58 VanDerWaalsContact CG1-CD2 3.48Å; V33-F58 HydrophobicContact CG1-CE2 4Å; V33-F58 HydrophobicContact CG1-CG 3.56Å
34G88.7Confident93Very high15 Ų1551.2 Ų51.216%0.15531%0.31CS..Hα-helixtrans-60.7-33.8179.900000114.3T30 R31T30-G34 PolarHBondContact O-N 2.79Å; R31-G34 PolarHBondContact O-N 2.9Å
35N90.1Very high93.1Very high60 Ų6055.2 Ų55.232%0.32133%0.326SS..Hα-helixtrans-75-34.7178.7-76-57.6000113.5D18 M21 R31 V33D18-N35 WeakPolarHBondContact CB-ND2 3.23Å; D18-N35 PolarHBondContact N-OD1 2.85Å; D18-N35 PolarHBondContact OD1-ND2 2.87Å; M21-N35 WeakPolarHBondContact CE-ND2 3.36Å; R31-N35 PolarHBondContact O-N 2.96Å; R31-N35 PolarHBondContact O-ND2 3.23Å; V33-N35 VanDerWaalsContact C-N 3.3Å; V33-N35 PolarHBondContact O-N 2.77Å
36V90.6Very high93.2Very high114 Ų11457.7 Ų57.769%0.69132%0.32SS*.Hα-helixtrans-85.4-16.9179.2-58.40000112.8Q32 V33Q32-V36 PolarHBondContact O-N 2.77Å; V33-V36 WeakPolarHBondContact O-CG2 3.45Å; V33-V36 PolarHBondContact O-N 2.9Å
37T89.4Confident93.2Very high15 Ų1560.1 Ų60.19%0.09235%0.349CS..  trans-77133.6-178.4-60.90000111V33 P39V33-T37 WeakPolarHBondContact O-CB 3.44Å; V33-T37 PolarHBondContact O-N 2.99Å; V33-T37 PolarHBondContact O-OG1 2.86Å; T37-P39 VanDerWaalsContact C-CD 3.44Å; T37-P39 WeakPolarHBondContact O-CD 3.38Å
38K92Very high93.2Very high158 Ų15862.7 Ų62.769%0.68735%0.352SS*.  trans-105.681.1174.2-62.3-172.2-179-171.40110.3
39P93.6Very high93.4Very high11 Ų1160.7 Ų60.77%0.07134%0.343CS..PPolyproline II helixtrans-65148.7-179.428-36.5000111.9L11 T37 T54 Q55L11-P39 HydrophobicContact CB-CG 4.42Å; L11-P39 HydrophobicContact CD2-CG 4.45Å; L11-P39 PolarHBondContact N-O 2.9Å; T37-P39 VanDerWaalsContact C-CD 3.44Å; T37-P39 WeakPolarHBondContact O-CD 3.38Å; P39-T54 HydrophobicContact CB-CG2 3.91Å; P39-Q55 CarbonylContact C-O 3.5Å; P39-Q55 WeakPolarHBondContact CA-O 3.46Å
40T96.5Very high93.7Very high34 Ų3457.5 Ų57.521%0.20932%0.316CS..EExtended strand (participates in β ladder)trans-99.2126.2166.4-60.80000108.8T8 W9 K10 I42 Q55T8-T40 HydrophobicContact CG2-CG2 3.38Å; W9-T40 CarbonylContact O-C 3.49Å; W9-T40 VanDerWaalsContact O-CA 3.32Å; W9-T40 WeakPolarHBondContact O-CA 3.35Å; K10-T40 HydrophobicContact CG-CG2 4.39Å; T40-I42 HydrophobicContact CG2-CG1 4.21Å; T40-Q55 PolarHBondContact N-O 2.8Å; T40-Q55 PolarHBondContact O-N 2.87Å
41V97.4Very high94Very high4 Ų455 Ų552%0.02430%0.3CS..EExtended strand (participates in β ladder)trans-102.3124.3174.8175.30000108.5W9 I43 V52 K53 T54 Y129W9-V41 HydrophobicContact CB-CB 4.28Å; W9-V41 WeakPolarHBondContact CB-O 3.31Å; W9-V41 PolarHBondContact N-O 2.92Å; W9-V41 PolarHBondContact O-N 3.24Å; V41-I43 HydrophobicContact CG1-CD1 4.3Å; V41-I43 HydrophobicContact CG1-CG1 3.95Å; V41-V52 HydrophobicContact CG1-CG1 4.11Å; V41-K53 CarbonylContact C-O 3.58Å; V41-K53 WeakPolarHBondContact CA-O 3.36Å; V41-T54 HydrophobicContact CG2-CG2 4.34Å; V41-Y129 HydrophobicContact CB-CE1 4.4Å; V41-Y129 HydrophobicContact CG2-CD1 4.26Å; V41-Y129 HydrophobicContact CG2-CE1 3.62Å
42I98.2Very high94.2Very high44 Ų4453.7 Ų53.723%0.22630%0.296CS..EExtended strand (participates in β ladder)trans-113120.9176.9-54.6168000107.3T8 T40 V52 K53T8-I42 HydrophobicContact CG2-CG1 4.14Å; T40-I42 HydrophobicContact CG2-CG1 4.21Å; I42-V52 CarbonylContact O-C 3.59Å; I42-V52 WeakPolarHBondContact O-CA 3.34Å; I42-K53 HydrophobicContact CB-CB 4.27Å; I42-K53 PolarHBondContact N-O 3.34Å; I42-K53 PolarHBondContact O-N 2.82Å
43I97.8Very high94.4Very high4 Ų452.1 Ų52.12%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-113.5126.3176.2-54178.5000107.5F5 C6 A7 V41 V50 V51 V52 L114F5-I43 HydrophobicContact CB-CD1 4.08Å; F5-I43 HydrophobicContact CB-CG2 4.32Å; F5-I43 WeakPolarHBondContact O-CB 2.93Å; C6-I43 CarbonylContact C-O 3.55Å; C6-I43 VanDerWaalsContact CA-O 3.23Å; C6-I43 WeakPolarHBondContact CA-O 3.45Å; A7-I43 PolarHBondContact N-O 3Å; A7-I43 VanDerWaalsContact N-O 3.13Å; A7-I43 PolarHBondContact O-N 2.86Å; V41-I43 HydrophobicContact CG1-CD1 4.3Å; V41-I43 HydrophobicContact CG1-CG1 3.95Å; I43-V50 HydrophobicContact CG2-CG1 4.08Å; I43-V51 WeakPolarHBondContact CA-O 3.45Å; I43-V52 HydrophobicContact CG1-CG1 4.39Å; I43-V52 HydrophobicContact CG1-CG2 4.23Å; I43-V52 HydrophobicContact CG2-CG2 4.36Å; I43-L114 HydrophobicContact CD1-CD2 4.45Å
44A97.3Very high94.6Very high37 Ų3751.6 Ų51.631%0.30629%0.285SS..EExtended strand (participates in β ladder)trans-137.1161.8178.200000110.4V50 V51A44-V50 WeakPolarHBondContact O-CA 3.47Å; A44-V51 PolarHBondContact N-O 2.89Å; A44-V51 PolarHBondContact O-N 3.44Å
45K95.4Very high94.9Very high100 Ų10055 Ų5544%0.43530%0.297SS..EExtended strand (participates in β ladder)trans-118.1128.8175.1-172.1-178.1-178.9-176.70109V2 D3 G47 K49V2-K45 HydrophobicContact CG1-CD 4.42Å; D3-K45 VanDerWaalsContact OD1-CD 3.23Å; D3-K45 WeakPolarHBondContact OD1-CD 3.47Å; D3-K45 IonicContact OD1-NZ 3.12Å; D3-K45 PolarHBondContact OD1-NZ 3.21Å; D3-K45 VanDerWaalsContact OD1-NZ 3.12Å; D3-K45 IonicContact OD2-NZ 3.5Å; K45-G47 WeakPolarHBondContact CE-O 3.49Å; K45-K49 CarbonylContact C-O 3.54Å; K45-K49 WeakPolarHBondContact CA-O 3.17Å; K45-K49 WeakPolarHBondContact CG-O 3.37Å
46E94.6Very high94.9Very high118 Ų11853.6 Ų53.655%0.55129%0.291SS*.EExtended strand (participates in β ladder)trans-122.690179.5-67.5-175.7-18000108.2D48 K49 V51E46-D48 PolarHBondContact O-N 3.47Å; E46-K49 PolarHBondContact N-O 2.85Å; E46-K49 PolarHBondContact O-N 3.29Å; E46-K49 VanDerWaalsContact O-N 3.09Å; E46-V51 HydrophobicContact CB-CG2 4.43Å; E46-V51 HydrophobicContact CG-CG2 4.02Å
47G92.8Very high94.7Very high67 Ų6754.9 Ų54.969%0.69130%0.3SS*.THydrogen-bonded Turntrans65.6-114.5-173.300000111.9K45K45-G47 WeakPolarHBondContact CE-O 3.49Å
48D93Very high94.3Very high99 Ų9959.3 Ų59.353%0.52932%0.318SS..THydrogen-bonded Turntrans-92.2-3.8177.468.7-21.1000113.6E46 K66E46-D48 PolarHBondContact O-N 3.47Å; D48-K66 WeakPolarHBondContact OD2-CE 3.39Å; D48-K66 IonicContact OD2-NZ 3.32Å; D48-K66 PolarHBondContact OD2-NZ 2.98Å
49K95.8Very high94Very high91 Ų9155 Ų5540%0.39630%0.299SS..EExtended strand (participates in β ladder)trans-99.6151.7178.8-64.2-178.1-178.3-1790112.1K45 E46 F65 K66K45-K49 CarbonylContact C-O 3.54Å; K45-K49 WeakPolarHBondContact CA-O 3.17Å; K45-K49 WeakPolarHBondContact CG-O 3.37Å; E46-K49 PolarHBondContact N-O 2.85Å; E46-K49 PolarHBondContact O-N 3.29Å; E46-K49 VanDerWaalsContact O-N 3.09Å; K49-F65 CarbonylContact C-O 3.53Å; K49-F65 WeakPolarHBondContact CA-O 3.41Å; K49-K66 HydrophobicContact CG-CG 3.97Å
50V97Very high93.9Very high3 Ų359.3 Ų59.32%0.01832%0.322CS..EExtended strand (participates in β ladder)trans-110131.7168.7-178.50000107.6V2 I43 A44 V52 S64 F65 L67V2-V50 HydrophobicContact CG1-CG2 4.03Å; V2-V50 HydrophobicContact CG2-CG1 4.24Å; V2-V50 HydrophobicContact CG2-CG2 3.9Å; I43-V50 HydrophobicContact CG2-CG1 4.08Å; A44-V50 WeakPolarHBondContact O-CA 3.47Å; V50-V52 HydrophobicContact CG1-CG2 4.3Å; V50-S64 WeakPolarHBondContact O-CA 3.33Å; V50-F65 HydrophobicContact CB-CD2 4.2Å; V50-F65 HydrophobicContact CB-CE1 4.48Å; V50-F65 HydrophobicContact CB-CE2 3.61Å; V50-F65 HydrophobicContact CB-CZ 3.77Å; V50-F65 HydrophobicContact CG1-CE1 4.41Å; V50-F65 HydrophobicContact CG1-CE2 3.97Å; V50-F65 HydrophobicContact CG1-CZ 3.66Å; V50-F65 HydrophobicContact CG2-CE2 4.25Å; V50-F65 PolarHBondContact N-O 2.83Å; V50-F65 PolarHBondContact O-N 3.17Å; V50-L67 HydrophobicContact CG2-CG 4.33Å
51V97.6Very high93.8Very high2 Ų259.4 Ų59.41%0.01232%0.322CS..EExtended strand (participates in β ladder)trans-111.5126.2177.4-176.40000108.3I43 A44 E46 K53 E62 I63I43-V51 WeakPolarHBondContact CA-O 3.45Å; A44-V51 PolarHBondContact N-O 2.89Å; A44-V51 PolarHBondContact O-N 3.44Å; E46-V51 HydrophobicContact CB-CG2 4.43Å; E46-V51 HydrophobicContact CG-CG2 4.02Å; V51-K53 HydrophobicContact CG1-CG 4.08Å; V51-E62 HydrophobicContact CG1-CG 4.21Å; V51-I63 WeakPolarHBondContact CA-O 3.37Å
52V97.4Very high93.7Very high5 Ų564.6 Ų64.63%0.0335%0.346CS..EExtended strand (participates in β ladder)trans-119.7118174.7-178.70000108.5V41 I42 I43 V50 E62 I63 F65V41-V52 HydrophobicContact CG1-CG1 4.11Å; I42-V52 CarbonylContact O-C 3.59Å; I42-V52 WeakPolarHBondContact O-CA 3.34Å; I43-V52 HydrophobicContact CG1-CG1 4.39Å; I43-V52 HydrophobicContact CG1-CG2 4.23Å; I43-V52 HydrophobicContact CG2-CG2 4.36Å; V50-V52 HydrophobicContact CG1-CG2 4.3Å; V52-E62 WeakPolarHBondContact O-CA 3.38Å; V52-I63 HydrophobicContact CB-CD1 4.19Å; V52-I63 HydrophobicContact CB-CG1 3.79Å; V52-I63 PolarHBondContact N-O 3.05Å; V52-I63 PolarHBondContact O-N 2.75Å; V52-F65 HydrophobicContact CB-CE1 4.44Å; V52-F65 HydrophobicContact CG2-CE1 3.75Å; V52-F65 HydrophobicContact CG2-CZ 3.95Å
53K96.8Very high93.6Very high62 Ų6263.3 Ų63.327%0.2734%0.34SS..EExtended strand (participates in β ladder)trans-109.5128.7175-48.4-171.5-173.9-135.70109V41 I42 V51 T61 E62V41-K53 CarbonylContact C-O 3.58Å; V41-K53 WeakPolarHBondContact CA-O 3.36Å; I42-K53 HydrophobicContact CB-CB 4.27Å; I42-K53 PolarHBondContact N-O 3.34Å; I42-K53 PolarHBondContact O-N 2.82Å; V51-K53 HydrophobicContact CG1-CG 4.08Å; K53-T61 CarbonylContact C-O 3.57Å; K53-T61 WeakPolarHBondContact CA-O 3.46Å; K53-E62 HydrophobicContact CD-CG 4.48Å; K53-E62 VanDerWaalsContact CD-OE2 3.25Å; K53-E62 WeakPolarHBondContact CD-OE2 2.8Å; K53-E62 VanDerWaalsContact CE-CD 3.49Å; K53-E62 WeakPolarHBondContact CE-OE2 3.25Å; K53-E62 HydrophobicContact CG-CB 4.39Å; K53-E62 HydrophobicContact CG-CG 4Å; K53-E62 IonicContact NZ-OE1 3.23Å; K53-E62 PolarHBondContact NZ-OE1 2.96Å; K53-E62 IonicContact NZ-OE2 3.73Å; K53-E62 PolarHBondContact NZ-OE2 3.32Å
54T95.1Very high93.5Very high40 Ų4065.8 Ų65.825%0.24536%0.357CS..EExtended strand (participates in β ladder)trans-110.3115.4170.9-550000107.8P39 V41 N60 T61P39-T54 HydrophobicContact CB-CG2 3.91Å; V41-T54 HydrophobicContact CG2-CG2 4.34Å; T54-N60 CarbonylContact O-C 3.56Å; T54-N60 VanDerWaalsContact O-CA 3.26Å; T54-N60 WeakPolarHBondContact O-CA 3.45Å; T54-T61 PolarHBondContact N-O 3.33Å; T54-T61 PolarHBondContact O-N 2.86Å
55Q94.6Very high93.5Very high88 Ų8864.4 Ų64.441%0.41135%0.345SS..EExtended strand (participates in β ladder)trans-113.4133.1-176.1-67.1-176-34.700111P39 T40 N60P39-Q55 CarbonylContact C-O 3.5Å; P39-Q55 WeakPolarHBondContact CA-O 3.46Å; T40-Q55 PolarHBondContact N-O 2.8Å; T40-Q55 PolarHBondContact O-N 2.87Å; Q55-N60 VanDerWaalsContact CA-OD1 3.23Å; Q55-N60 WeakPolarHBondContact CA-OD1 3.41Å
56S90.1Very high93.6Very high29 Ų2962.8 Ų62.820%0.20334%0.337CS..  trans-150.9169.7174.173.50000111.7F58 K59 N60S56-F58 PolarHBondContact O-N 2.97Å; S56-F58 PolarHBondContact OG-N 2.75Å; S56-K59 PolarHBondContact OG-N 2.79Å; S56-K59 PolarHBondContact OG-O 2.81Å; S56-N60 PolarHBondContact N-OD1 2.99Å; S56-N60 PolarHBondContact O-OD1 2.77Å
57T85.8Confident93.7Very high142 Ų14260.3 Ų60.387%0.87133%0.328SS*.SBendtrans-68.4-14.5172.449.70000113.1
58F82.6Confident93.9Very high107 Ų10759.6 Ų59.647%0.46932%0.32SS..SBendtrans-96.6-58.2-177.6179.9-116.2000112.2T30 V33 S56T30-F58 HydrophobicContact CG2-CE1 4.1Å; T30-F58 HydrophobicContact CG2-CZ 4.29Å; V33-F58 HydrophobicContact CB-CD2 4.36Å; V33-F58 HydrophobicContact CB-CE2 4.42Å; V33-F58 HydrophobicContact CG1-CB 3.86Å; V33-F58 HydrophobicContact CG1-CD1 4.18Å; V33-F58 HydrophobicContact CG1-CD2 3.48Å; V33-F58 VanDerWaalsContact CG1-CD2 3.48Å; V33-F58 HydrophobicContact CG1-CE2 4Å; V33-F58 HydrophobicContact CG1-CG 3.56Å; S56-F58 PolarHBondContact O-N 2.97Å; S56-F58 PolarHBondContact OG-N 2.75Å
59K85.1Confident94.1Very high67 Ų6760 Ų6029%0.29132%0.318SS..  trans-148143.6-178.2-163.6165.4-178.7178.20110.5S56 A76 D78S56-K59 PolarHBondContact OG-N 2.79Å; S56-K59 PolarHBondContact OG-O 2.81Å; K59-A76 VanDerWaalsContact CD-O 3.26Å; K59-A76 WeakPolarHBondContact CD-O 3.44Å; K59-A76 WeakPolarHBondContact CE-O 3.4Å; K59-A76 PolarHBondContact NZ-O 2.52Å; K59-D78 IonicContact NZ-OD1 2.64Å; K59-D78 PolarHBondContact NZ-OD1 2.9Å; K59-D78 IonicContact NZ-OD2 3.13Å; K59-D78 PolarHBondContact NZ-OD2 2.91Å; K59-D78 VanDerWaalsContact NZ-OD2 3.13Å
60N91.8Very high94.2Very high103 Ų10361.2 Ų61.255%0.55133%0.326SS*.  trans-114134.2176.2-61.9-31.2000109T54 Q55 S56T54-N60 CarbonylContact O-C 3.56Å; T54-N60 VanDerWaalsContact O-CA 3.26Å; T54-N60 WeakPolarHBondContact O-CA 3.45Å; Q55-N60 VanDerWaalsContact CA-OD1 3.23Å; Q55-N60 WeakPolarHBondContact CA-OD1 3.41Å; S56-N60 PolarHBondContact N-OD1 2.99Å; S56-N60 PolarHBondContact O-OD1 2.77Å
61T93.4Very high94.2Very high35 Ų3562.6 Ų62.622%0.21533%0.332CS..EExtended strand (participates in β ladder)trans-128152.9174.562.80000110.5K53 T54 A76K53-T61 CarbonylContact C-O 3.57Å; K53-T61 WeakPolarHBondContact CA-O 3.46Å; T54-T61 PolarHBondContact N-O 3.33Å; T54-T61 PolarHBondContact O-N 2.86Å; T61-A76 HydrophobicContact CG2-CB 3.86Å
62E95.2Very high94.2Very high114 Ų11468.2 Ų68.253%0.53336%0.362SS..EExtended strand (participates in β ladder)trans-142.9129.2177.7177.1163.5157.700109.1V51 V52 K53V51-E62 HydrophobicContact CG1-CG 4.21Å; V52-E62 WeakPolarHBondContact O-CA 3.38Å; K53-E62 HydrophobicContact CD-CG 4.48Å; K53-E62 VanDerWaalsContact CD-OE2 3.25Å; K53-E62 WeakPolarHBondContact CD-OE2 2.8Å; K53-E62 VanDerWaalsContact CE-CD 3.49Å; K53-E62 WeakPolarHBondContact CE-OE2 3.25Å; K53-E62 HydrophobicContact CG-CB 4.39Å; K53-E62 HydrophobicContact CG-CG 4Å; K53-E62 IonicContact NZ-OE1 3.23Å; K53-E62 PolarHBondContact NZ-OE1 2.96Å; K53-E62 IonicContact NZ-OE2 3.73Å; K53-E62 PolarHBondContact NZ-OE2 3.32Å
63I96.1Very high94Very high17 Ų1768.9 Ų68.99%0.08736%0.364CS..EExtended strand (participates in β ladder)trans-125.114217359.2173.1000109.3V51 V52 F65 F71 E73V51-I63 WeakPolarHBondContact CA-O 3.37Å; V52-I63 HydrophobicContact CB-CD1 4.19Å; V52-I63 HydrophobicContact CB-CG1 3.79Å; V52-I63 PolarHBondContact N-O 3.05Å; V52-I63 PolarHBondContact O-N 2.75Å; I63-F65 HydrophobicContact CB-CD1 4.4Å; I63-F65 HydrophobicContact CD1-CD1 3.91Å; I63-F65 HydrophobicContact CD1-CE1 3.68Å; I63-F65 HydrophobicContact CG1-CD1 4.01Å; I63-F65 HydrophobicContact CG1-CE1 3.92Å; I63-F71 HydrophobicContact CB-CE2 4.1Å; I63-F71 HydrophobicContact CB-CZ 4.47Å; I63-F71 HydrophobicContact CD1-CZ 4.23Å; I63-F71 HydrophobicContact CG2-CE2 4.2Å; I63-E73 HydrophobicContact CG2-CG 3.83Å
64S96.9Very high93.8Very high56 Ų5669.2 Ų69.239%0.39238%0.379SS..EExtended strand (participates in β ladder)trans-131.4119.5176.3-177.80000108.5V50V50-S64 WeakPolarHBondContact O-CA 3.33Å
65F96.8Very high93.5Very high8 Ų867.7 Ų67.74%0.03537%0.37CS..EExtended strand (participates in β ladder)trans-144.6159.8-170.257.1-94.9000111.6K49 V50 V52 I63 L67 F71 V85K49-F65 CarbonylContact C-O 3.53Å; K49-F65 WeakPolarHBondContact CA-O 3.41Å; V50-F65 HydrophobicContact CB-CD2 4.2Å; V50-F65 HydrophobicContact CB-CE1 4.48Å; V50-F65 HydrophobicContact CB-CE2 3.61Å; V50-F65 HydrophobicContact CB-CZ 3.77Å; V50-F65 HydrophobicContact CG1-CE1 4.41Å; V50-F65 HydrophobicContact CG1-CE2 3.97Å; V50-F65 HydrophobicContact CG1-CZ 3.66Å; V50-F65 HydrophobicContact CG2-CE2 4.25Å; V50-F65 PolarHBondContact N-O 2.83Å; V50-F65 PolarHBondContact O-N 3.17Å; V52-F65 HydrophobicContact CB-CE1 4.44Å; V52-F65 HydrophobicContact CG2-CE1 3.75Å; V52-F65 HydrophobicContact CG2-CZ 3.95Å; I63-F65 HydrophobicContact CB-CD1 4.4Å; I63-F65 HydrophobicContact CD1-CD1 3.91Å; I63-F65 HydrophobicContact CD1-CE1 3.68Å; I63-F65 HydrophobicContact CG1-CD1 4.01Å; I63-F65 HydrophobicContact CG1-CE1 3.92Å; F65-L67 HydrophobicContact CE2-CD2 4.08Å; F65-F71 HydrophobicContact CB-CD1 3.6Å; F65-F71 HydrophobicContact CB-CE1 3.46Å; F65-F71 VanDerWaalsContact CB-CE1 3.46Å; F65-F71 HydrophobicContact CB-CE2 4.48Å; F65-F71 HydrophobicContact CB-CG 4.2Å; F65-F71 HydrophobicContact CB-CZ 3.94Å; F65-F71 HydrophobicContact CD1-CE1 4.15Å; F65-F71 AromaticContact CD1-CZ 3.96Å; F65-F71 HydrophobicContact CD1-CZ 3.96Å; F65-F71 HydrophobicContact CG-CD1 4.5Å; F65-F71 AromaticContact CG-CE1 3.89Å; F65-F71 HydrophobicContact CG-CE1 3.89Å; F65-F71 HydrophobicContact CG-CZ 4.18Å; F65-V85 HydrophobicContact CD1-CG2 4.12Å; F65-V85 HydrophobicContact CD2-CB 3.62Å; F65-V85 HydrophobicContact CD2-CG1 4.23Å; F65-V85 HydrophobicContact CD2-CG2 3.9Å; F65-V85 HydrophobicContact CE1-CB 4.47Å; F65-V85 HydrophobicContact CE1-CG2 3.93Å; F65-V85 HydrophobicContact CE2-CB 3.33Å; F65-V85 HydrophobicContact CE2-CG1 3.42Å; F65-V85 VanDerWaalsContact CE2-CG1 3.42Å; F65-V85 HydrophobicContact CE2-CG2 3.7Å; F65-V85 HydrophobicContact CG-CB 4.33Å; F65-V85 HydrophobicContact CG-CG2 4.12Å; F65-V85 HydrophobicContact CZ-CB 3.81Å; F65-V85 HydrophobicContact CZ-CG1 3.69Å; F65-V85 HydrophobicContact CZ-CG2 3.72Å
66K97.1Very high93Very high65 Ų6565.9 Ų65.928%0.28337%0.37SS..  trans-98144.1166-65.2-174.2-173.5-162.70109D48 K49 G68 E69D48-K66 WeakPolarHBondContact OD2-CE 3.39Å; D48-K66 IonicContact OD2-NZ 3.32Å; D48-K66 PolarHBondContact OD2-NZ 2.98Å; K49-K66 HydrophobicContact CG-CG 3.97Å; K66-G68 PolarHBondContact O-N 3.44Å; K66-E69 HydrophobicContact CB-CB 4.21Å; K66-E69 HydrophobicContact CB-CG 4.09Å; K66-E69 WeakPolarHBondContact CD-OE1 3.49Å; K66-E69 PolarHBondContact O-N 3.44Å
67L96.4Very high92.7Very high67 Ų6766.5 Ų66.535%0.35137%0.371SS..THydrogen-bonded Turntrans-64.8129.3179.9-68.7172.7000110.4V2 V50 F65 E69 V85 L92V2-L67 HydrophobicContact CB-CD1 4.11Å; V2-L67 HydrophobicContact CG1-CD1 4.2Å; V50-L67 HydrophobicContact CG2-CG 4.33Å; F65-L67 HydrophobicContact CE2-CD2 4.08Å; L67-E69 VanDerWaalsContact C-N 3.3Å; L67-V85 CarbonylContact C-O 3.49Å; L67-V85 WeakPolarHBondContact CA-O 3.49Å; L67-V85 HydrophobicContact CD2-CG1 4.14Å; L67-L92 HydrophobicContact CD2-CD1 3.82Å
68G96.6Very high92.7Very high51 Ų5165.8 Ų65.853%0.52636%0.362SS..THydrogen-bonded Turntrans83.3-4179.700000115.2K66 V85K66-G68 PolarHBondContact O-N 3.44Å; G68-V85 PolarHBondContact N-O 3.4Å
69E97.7Very high93Very high107 Ų10762.2 Ų62.250%0.535%0.345SS..  trans-99.4139.3177.9-64.8-176.4-159.200111.2K66 L67K66-E69 HydrophobicContact CB-CB 4.21Å; K66-E69 HydrophobicContact CB-CG 4.09Å; K66-E69 WeakPolarHBondContact CD-OE1 3.49Å; K66-E69 PolarHBondContact O-N 3.44Å; L67-E69 VanDerWaalsContact C-N 3.3Å
70E97.9Very high93.4Very high117 Ų11765.4 Ų65.455%0.54737%0.365SS..EExtended strand (participates in β ladder)trans-78.1140.7175.4-170.2-177.689.300111K82 S83E70-K82 HydrophobicContact CG-CB 4.04Å; E70-K82 HydrophobicContact CG-CD 4.2Å; E70-K82 WeakPolarHBondContact OE1-CD 3.2Å; E70-S83 CarbonylContact C-O 3.52Å; E70-S83 VanDerWaalsContact CA-O 3.28Å; E70-S83 WeakPolarHBondContact CA-O 3.4Å
71F97.4Very high93.5Very high33 Ų3360.8 Ų60.815%0.14534%0.341CS..EExtended strand (participates in β ladder)trans-143.3161176.766.3-79.6000111.9I63 F65 E73 S83 V85I63-F71 HydrophobicContact CB-CE2 4.1Å; I63-F71 HydrophobicContact CB-CZ 4.47Å; I63-F71 HydrophobicContact CD1-CZ 4.23Å; I63-F71 HydrophobicContact CG2-CE2 4.2Å; F65-F71 HydrophobicContact CB-CD1 3.6Å; F65-F71 HydrophobicContact CB-CE1 3.46Å; F65-F71 VanDerWaalsContact CB-CE1 3.46Å; F65-F71 HydrophobicContact CB-CE2 4.48Å; F65-F71 HydrophobicContact CB-CG 4.2Å; F65-F71 HydrophobicContact CB-CZ 3.94Å; F65-F71 HydrophobicContact CD1-CE1 4.15Å; F65-F71 AromaticContact CD1-CZ 3.96Å; F65-F71 HydrophobicContact CD1-CZ 3.96Å; F65-F71 HydrophobicContact CG-CD1 4.5Å; F65-F71 AromaticContact CG-CE1 3.89Å; F65-F71 HydrophobicContact CG-CE1 3.89Å; F65-F71 HydrophobicContact CG-CZ 4.18Å; F71-E73 HydrophobicContact CD2-CB 4.33Å; F71-E73 HydrophobicContact CE2-CB 3.84Å; F71-E73 HydrophobicContact CE2-CG 4.37Å; F71-S83 WeakPolarHBondContact CD1-O 3.42Å; F71-S83 WeakPolarHBondContact CE1-O 3.44Å; F71-S83 PolarHBondContact N-O 3.43Å; F71-S83 PolarHBondContact O-N 3.16Å; F71-V85 HydrophobicContact CE1-CG2 4.15Å; F71-V85 HydrophobicContact CZ-CG2 4.44Å
72D96.6Very high93.7Very high120 Ų12063 Ų6364%0.64235%0.348SS*.EExtended strand (participates in β ladder)trans-79.1127.2172.8-68-68.5000110.6K82D72-K82 WeakPolarHBondContact OD1-CD 3.38Å; D72-K82 VanDerWaalsContact OD1-CE 3.25Å; D72-K82 WeakPolarHBondContact OD1-CE 3.4Å; D72-K82 IonicContact OD1-NZ 2.71Å; D72-K82 PolarHBondContact OD1-NZ 3.42Å; D72-K82 IonicContact OD2-NZ 3.54Å; D72-K82 PolarHBondContact OD2-NZ 2.96Å
73E94.8Very high93.8Very high18 Ų1857.6 Ų57.68%0.08432%0.322CS..EExtended strand (participates in β ladder)trans-124.4124.9179.4-179.4176.9-176.400111.1I63 F71 T75 C81 S83 H94 Q96I63-E73 HydrophobicContact CG2-CG 3.83Å; F71-E73 HydrophobicContact CD2-CB 4.33Å; F71-E73 HydrophobicContact CE2-CB 3.84Å; F71-E73 HydrophobicContact CE2-CG 4.37Å; E73-T75 HydrophobicContact CG-CG2 4.26Å; E73-C81 PolarHBondContact N-O 3.29Å; E73-C81 PolarHBondContact O-N 2.87Å; E73-C81 PolarHBondContact O-SG 3.29Å; E73-S83 WeakPolarHBondContact CB-OG 3.35Å; E73-S83 WeakPolarHBondContact OE2-CB 3.28Å; E73-S83 PolarHBondContact OE2-OG 3.34Å; E73-H94 IonicContact OE1-CE1 3.89Å; E73-H94 IonicContact OE1-NE2 3.62Å; E73-H94 IonicContact OE2-CE1 2.77Å; E73-H94 PolarHBondContact OE2-CE1 2.97Å; E73-H94 VanDerWaalsContact OE2-CE1 3.23Å; E73-H94 IonicContact OE2-NE2 2.71Å; E73-H94 PolarHBondContact OE2-NE2 3.32Å; E73-Q96 PolarHBondContact OE1-NE2 2.85Å; E73-Q96 PolarHBondContact OE2-NE2 2.9Å
74A92.2Very high93.9Very high70 Ų7058.7 Ų58.758%0.57933%0.33SS*.EExtended strand (participates in β ladder)trans-91.1115.4164.200000109
75T88Confident94Very high8 Ų856 Ų565%0.04931%0.311CS..  trans-84.7163.5-173.959.80000112.3E73 D77 D78 R79 C81E73-T75 HydrophobicContact CG-CG2 4.26Å; T75-D77 WeakPolarHBondContact CB-OD1 3.44Å; T75-D77 PolarHBondContact O-N 2.96Å; T75-D77 PolarHBondContact OG1-OD1 2.71Å; T75-D78 PolarHBondContact O-N 2.96Å; T75-R79 PolarHBondContact N-O 2.72Å; T75-R79 WeakPolarHBondContact OG1-CA 3.4Å; T75-R79 VanDerWaalsContact OG1-CB 3.29Å; T75-R79 WeakPolarHBondContact OG1-CB 3.32Å; T75-R79 PolarHBondContact OG1-N 2.96Å; T75-R79 PolarHBondContact OG1-O 3.49Å; T75-C81 VanDerWaalsContact CG2-SG 3.55Å
76A84.3Confident94Very high50 Ų5058 Ų5841%0.41333%0.326SS..THydrogen-bonded Turntrans-62.2-25.7179.800000113K59 T61 D78K59-A76 VanDerWaalsContact CD-O 3.26Å; K59-A76 WeakPolarHBondContact CD-O 3.44Å; K59-A76 WeakPolarHBondContact CE-O 3.4Å; K59-A76 PolarHBondContact NZ-O 2.52Å; T61-A76 HydrophobicContact CG2-CB 3.86Å; A76-D78 VanDerWaalsContact C-N 3.34Å
77D83.7Confident93.9Very high42 Ų4258 Ų5823%0.22533%0.328CS..THydrogen-bonded Turntrans-96.622.6176.561.9-44.7000113.5V26 T75 R79V26-D77 HydrophobicContact CG2-CB 3.86Å; T75-D77 WeakPolarHBondContact CB-OD1 3.44Å; T75-D77 PolarHBondContact O-N 2.96Å; T75-D77 PolarHBondContact OG1-OD1 2.71Å; D77-R79 VanDerWaalsContact C-N 3.25Å; D77-R79 VanDerWaalsContact CG-NE 3.31Å; D77-R79 PolarHBondContact O-N 2.98Å; D77-R79 IonicContact OD1-CZ 2.98Å; D77-R79 IonicContact OD1-NE 3.13Å; D77-R79 PolarHBondContact OD1-NE 3.06Å; D77-R79 IonicContact OD1-NH2 2.8Å; D77-R79 PolarHBondContact OD1-NH2 3.49Å; D77-R79 IonicContact OD2-CZ 3.06Å; D77-R79 VanDerWaalsContact OD2-CZ 3.26Å; D77-R79 IonicContact OD2-NE 3.31Å; D77-R79 PolarHBondContact OD2-NE 2.98Å; D77-R79 IonicContact OD2-NH2 2.72Å; D77-R79 PolarHBondContact OD2-NH2 2.8Å; D77-R79 VanDerWaalsContact OD2-NH2 3.14Å
78D85.3Confident93.7Very high127 Ų12760 Ų6068%0.67934%0.339SS*.SBendtrans66.118.8170.6-59.7-53.6000115.2K59 T75 A76K59-D78 IonicContact NZ-OD1 2.64Å; K59-D78 PolarHBondContact NZ-OD1 2.9Å; K59-D78 IonicContact NZ-OD2 3.13Å; K59-D78 PolarHBondContact NZ-OD2 2.91Å; K59-D78 VanDerWaalsContact NZ-OD2 3.13Å; T75-D78 PolarHBondContact O-N 2.96Å; A76-D78 VanDerWaalsContact C-N 3.34Å
79R89.8Confident93.4Very high32 Ų3260.5 Ų60.512%0.12135%0.345CS..  trans-80.4139.4165.2-61.2173.6-74.7136.811.2110.3T75 D77 W98T75-R79 PolarHBondContact N-O 2.72Å; T75-R79 WeakPolarHBondContact OG1-CA 3.4Å; T75-R79 VanDerWaalsContact OG1-CB 3.29Å; T75-R79 WeakPolarHBondContact OG1-CB 3.32Å; T75-R79 PolarHBondContact OG1-N 2.96Å; T75-R79 PolarHBondContact OG1-O 3.49Å; D77-R79 VanDerWaalsContact C-N 3.25Å; D77-R79 VanDerWaalsContact CG-NE 3.31Å; D77-R79 PolarHBondContact O-N 2.98Å; D77-R79 IonicContact OD1-CZ 2.98Å; D77-R79 IonicContact OD1-NE 3.13Å; D77-R79 PolarHBondContact OD1-NE 3.06Å; D77-R79 IonicContact OD1-NH2 2.8Å; D77-R79 PolarHBondContact OD1-NH2 3.49Å; D77-R79 IonicContact OD2-CZ 3.06Å; D77-R79 VanDerWaalsContact OD2-CZ 3.26Å; D77-R79 IonicContact OD2-NE 3.31Å; D77-R79 PolarHBondContact OD2-NE 2.98Å; D77-R79 IonicContact OD2-NH2 2.72Å; D77-R79 PolarHBondContact OD2-NH2 2.8Å; D77-R79 VanDerWaalsContact OD2-NH2 3.14Å; R79-W98 VanDerWaalsContact NH1-CZ2 3.34Å
80N92.8Very high93.2Very high134 Ų13460.9 Ų60.972%0.71735%0.35SS*.EExtended strand (participates in β ladder)trans-96125.2163.8-70.513.9000108.4
81C95.2Very high93.2Very high6 Ų659 Ų594%0.04134%0.34CS..EExtended strand (participates in β ladder)trans-137.7160.2-176.961.10000111.6E73 T75 S83 Q96 K97 W98E73-C81 PolarHBondContact N-O 3.29Å; E73-C81 PolarHBondContact O-N 2.87Å; E73-C81 PolarHBondContact O-SG 3.29Å; T75-C81 VanDerWaalsContact CG2-SG 3.55Å; C81-S83 PolarHBondContact SG-OG 2.83Å; C81-Q96 HydrophobicContact CB-CB 4.37Å; C81-K97 VanDerWaalsContact CA-O 3.32Å; C81-K97 WeakPolarHBondContact CA-O 3.33Å; C81-K97 VanDerWaalsContact CB-O 3.25Å; C81-K97 WeakPolarHBondContact CB-O 3.39Å; C81-W98 HydrophobicContact CB-CB 4.03Å
82K97.4Very high93.1Very high81 Ų8157.4 Ų57.435%0.35233%0.334SS..EExtended strand (participates in β ladder)trans-89.5124.7164.1-71.7-60.7-166-176.60108.5E70 D72 K97E70-K82 HydrophobicContact CG-CB 4.04Å; E70-K82 HydrophobicContact CG-CD 4.2Å; E70-K82 WeakPolarHBondContact OE1-CD 3.2Å; D72-K82 WeakPolarHBondContact OD1-CD 3.38Å; D72-K82 VanDerWaalsContact OD1-CE 3.25Å; D72-K82 WeakPolarHBondContact OD1-CE 3.4Å; D72-K82 IonicContact OD1-NZ 2.71Å; D72-K82 PolarHBondContact OD1-NZ 3.42Å; D72-K82 IonicContact OD2-NZ 3.54Å; D72-K82 PolarHBondContact OD2-NZ 2.96Å; K82-K97 PolarHBondContact N-O 3.05Å; K82-K97 PolarHBondContact O-N 2.99Å
83S97.9Very high93.2Very high0 Ų052 Ų520%031%0.305CS..EExtended strand (participates in β ladder)trans-120.1144.5-174.8-69.70000111.8E70 F71 E73 C81 V95E70-S83 CarbonylContact C-O 3.52Å; E70-S83 VanDerWaalsContact CA-O 3.28Å; E70-S83 WeakPolarHBondContact CA-O 3.4Å; F71-S83 WeakPolarHBondContact CD1-O 3.42Å; F71-S83 WeakPolarHBondContact CE1-O 3.44Å; F71-S83 PolarHBondContact N-O 3.43Å; F71-S83 PolarHBondContact O-N 3.16Å; E73-S83 WeakPolarHBondContact CB-OG 3.35Å; E73-S83 WeakPolarHBondContact OE2-CB 3.28Å; E73-S83 PolarHBondContact OE2-OG 3.34Å; C81-S83 PolarHBondContact SG-OG 2.83Å; S83-V95 CarbonylContact C-O 3.57Å; S83-V95 VanDerWaalsContact CA-O 3.25Å; S83-V95 WeakPolarHBondContact CA-O 3.33Å
84T98.1Very high93.4Very high41 Ų4151.2 Ų51.225%0.25230%0.302SS..EExtended strand (participates in β ladder)trans-135.5133172-54.50000108.6H94 V95T84-H94 WeakPolarHBondContact O-CA 3.32Å; T84-V95 PolarHBondContact N-O 2.91Å; T84-V95 PolarHBondContact O-N 3.31Å
85V97.9Very high93.6Very high0 Ų049.4 Ų49.40%028%0.283CS..EExtended strand (participates in β ladder)trans-116.9125.6175.2-173.90000109.3F65 L67 G68 F71 L92 A93 H94F65-V85 HydrophobicContact CD1-CG2 4.12Å; F65-V85 HydrophobicContact CD2-CB 3.62Å; F65-V85 HydrophobicContact CD2-CG1 4.23Å; F65-V85 HydrophobicContact CD2-CG2 3.9Å; F65-V85 HydrophobicContact CE1-CB 4.47Å; F65-V85 HydrophobicContact CE1-CG2 3.93Å; F65-V85 HydrophobicContact CE2-CB 3.33Å; F65-V85 HydrophobicContact CE2-CG1 3.42Å; F65-V85 VanDerWaalsContact CE2-CG1 3.42Å; F65-V85 HydrophobicContact CE2-CG2 3.7Å; F65-V85 HydrophobicContact CG-CB 4.33Å; F65-V85 HydrophobicContact CG-CG2 4.12Å; F65-V85 HydrophobicContact CZ-CB 3.81Å; F65-V85 HydrophobicContact CZ-CG1 3.69Å; F65-V85 HydrophobicContact CZ-CG2 3.72Å; L67-V85 CarbonylContact C-O 3.49Å; L67-V85 WeakPolarHBondContact CA-O 3.49Å; L67-V85 HydrophobicContact CD2-CG1 4.14Å; G68-V85 PolarHBondContact N-O 3.4Å; F71-V85 HydrophobicContact CE1-CG2 4.15Å; F71-V85 HydrophobicContact CZ-CG2 4.44Å; V85-L92 HydrophobicContact CG1-CD1 3.58Å; V85-L92 HydrophobicContact CG1-CD2 4.49Å; V85-L92 HydrophobicContact CG1-CG 3.87Å; V85-A93 CarbonylContact C-O 3.51Å; V85-A93 VanDerWaalsContact CA-O 3.23Å; V85-A93 WeakPolarHBondContact CA-O 3.31Å; V85-A93 WeakPolarHBondContact CG1-O 3.39Å; V85-H94 HydrophobicContact CG1-CB 4.48Å; V85-H94 HydrophobicContact CG2-CB 3.92Å
86S96.8Very high94.1Very high48 Ų4849.2 Ų49.234%0.33628%0.282SS..EExtended strand (participates in β ladder)trans-130.6158.9-179.660.90000111.3A93S86-A93 PolarHBondContact N-O 2.66Å; S86-A93 PolarHBondContact O-N 2.82Å
87L95.2Very high94.7Very high65 Ų6551.9 Ų51.934%0.3428%0.284SS..EExtended strand (participates in β ladder)trans-100.5113.3171.8-16478000108.2F5 K91 L92F5-L87 HydrophobicContact CE2-CD1 4.11Å; L87-K91 WeakPolarHBondContact CA-O 3.37Å; L87-L92 HydrophobicContact CD1-CD1 4.3Å
88D92.3Very high95.3Very high109 Ų10951 Ų5158%0.58328%0.278SS*.EExtended strand (participates in β ladder)trans-107.592.9176-175.513.5000108.2D90 K91D88-D90 PolarHBondContact O-N 2.84Å; D88-D90 VanDerWaalsContact O-N 3.15Å; D88-K91 PolarHBondContact N-O 3.14Å; D88-K91 WeakPolarHBondContact O-CB 3.45Å; D88-K91 PolarHBondContact O-N 3.21Å
89G91.2Very high95.7Very high62 Ų6252.4 Ų52.464%0.63929%0.285SS*.THydrogen-bonded Turntrans62.8-112.4-170.900000112.4
90D92.9Very high95.9Very high115 Ų11555.3 Ų55.362%0.61533%0.325SS*.THydrogen-bonded Turntrans-97.35.9177.865.4-19.4000113.4F5 D88F5-D90 WeakPolarHBondContact CZ-O 3.19Å; D88-D90 PolarHBondContact O-N 2.84Å; D88-D90 VanDerWaalsContact O-N 3.15Å
91K96.6Very high96Very high78 Ų7853.5 Ų53.534%0.33931%0.31SS..EExtended strand (participates in β ladder)trans-110.1135.9-176.7-55.9-174.8179.9-179.70111.6L87 D88 V106 R107 E108L87-K91 WeakPolarHBondContact CA-O 3.37Å; D88-K91 PolarHBondContact N-O 3.14Å; D88-K91 WeakPolarHBondContact O-CB 3.45Å; D88-K91 PolarHBondContact O-N 3.21Å; K91-V106 HydrophobicContact CB-CG1 3.97Å; K91-V106 HydrophobicContact CD-CG1 3.8Å; K91-V106 HydrophobicContact CG-CG1 4.29Å; K91-R107 WeakPolarHBondContact CA-O 3.2Å; K91-E108 HydrophobicContact CG-CB 4.3Å
92L97.3Very high96.1Very high0 Ų057.7 Ų57.70%033%0.329CS..EExtended strand (participates in β ladder)trans-95.4103171.6-173.970.6000108.5V2 F5 L67 V85 L87 R107V2-L92 HydrophobicContact CG2-CD1 4.1Å; V2-L92 HydrophobicContact CG2-CD2 4.44Å; F5-L92 HydrophobicContact CD1-CB 4.44Å; F5-L92 HydrophobicContact CD2-CB 4.36Å; F5-L92 HydrophobicContact CE1-CB 4.11Å; F5-L92 HydrophobicContact CE2-CB 4.01Å; F5-L92 HydrophobicContact CG-CD2 4.43Å; F5-L92 HydrophobicContact CZ-CB 3.87Å; L67-L92 HydrophobicContact CD2-CD1 3.82Å; V85-L92 HydrophobicContact CG1-CD1 3.58Å; V85-L92 HydrophobicContact CG1-CD2 4.49Å; V85-L92 HydrophobicContact CG1-CG 3.87Å; L87-L92 HydrophobicContact CD1-CD1 4.3Å; L92-R107 HydrophobicContact CB-CB 4.19Å; L92-R107 PolarHBondContact N-O 3.3Å; L92-R107 PolarHBondContact O-N 3.46Å
93A97.9Very high96.1Very high6 Ų653.9 Ų53.95%0.0531%0.313CS..EExtended strand (participates in β ladder)trans-94.8128.1-178.100000110.3V85 S86 F105V85-A93 CarbonylContact C-O 3.51Å; V85-A93 VanDerWaalsContact CA-O 3.23Å; V85-A93 WeakPolarHBondContact CA-O 3.31Å; V85-A93 WeakPolarHBondContact CG1-O 3.39Å; S86-A93 PolarHBondContact N-O 2.66Å; S86-A93 PolarHBondContact O-N 2.82Å; A93-F105 CarbonylContact C-O 3.55Å; A93-F105 WeakPolarHBondContact CA-O 3.25Å
94H97.9Very high96.1Very high2 Ų257.7 Ų57.71%0.00933%0.329CS..EExtended strand (participates in β ladder)trans-123.1114.2178.2177.2-178000107.9E73 T84 V85 K104 F105E73-H94 IonicContact OE1-CE1 3.89Å; E73-H94 IonicContact OE1-NE2 3.62Å; E73-H94 IonicContact OE2-CE1 2.77Å; E73-H94 PolarHBondContact OE2-CE1 2.97Å; E73-H94 VanDerWaalsContact OE2-CE1 3.23Å; E73-H94 IonicContact OE2-NE2 2.71Å; E73-H94 PolarHBondContact OE2-NE2 3.32Å; T84-H94 WeakPolarHBondContact O-CA 3.32Å; V85-H94 HydrophobicContact CG1-CB 4.48Å; V85-H94 HydrophobicContact CG2-CB 3.92Å; H94-K104 CarbonylContact O-C 3.54Å; H94-K104 WeakPolarHBondContact O-CA 3.32Å; H94-F105 HydrophobicContact CB-CB 4.21Å; H94-F105 HydrophobicContact CB-CD2 4.37Å; H94-F105 PolarHBondContact N-O 3.32Å; H94-F105 AromaticContact ND1-CD2 3.63Å; H94-F105 PolarHBondContact O-N 2.97Å
95V98.1Very high96.1Very high31 Ų3156.7 Ų56.719%0.18832%0.322CS..EExtended strand (participates in β ladder)trans-106.4131.2179179.30000108.3S83 T84 K97 E102 K104S83-V95 CarbonylContact C-O 3.57Å; S83-V95 VanDerWaalsContact CA-O 3.25Å; S83-V95 WeakPolarHBondContact CA-O 3.33Å; T84-V95 PolarHBondContact N-O 2.91Å; T84-V95 PolarHBondContact O-N 3.31Å; V95-K97 HydrophobicContact CG1-CG 4.24Å; V95-E102 VanDerWaalsContact CG1-CD 3.49Å; V95-E102 HydrophobicContact CG1-CG 3.55Å; V95-K104 HydrophobicContact CG2-CG 4.18Å
96Q98Very high96.1Very high4 Ų457.9 Ų57.92%0.01933%0.329CS..EExtended strand (participates in β ladder)trans-118.1129.2175.5-56.9-176.1-35.600109.3E73 C81 E102 T103 F105E73-Q96 PolarHBondContact OE1-NE2 2.85Å; E73-Q96 PolarHBondContact OE2-NE2 2.9Å; C81-Q96 HydrophobicContact CB-CB 4.37Å; Q96-E102 WeakPolarHBondContact O-CA 3.25Å; Q96-T103 HydrophobicContact CB-CG2 3.84Å; Q96-T103 HydrophobicContact CG-CG2 4.28Å; Q96-T103 PolarHBondContact N-O 2.91Å; Q96-T103 PolarHBondContact O-N 3.13Å; Q96-F105 HydrophobicContact CG-CE2 4.41Å; Q96-F105 HydrophobicContact CG-CZ 4.43Å; Q96-F105 VanDerWaalsContact OE1-CZ 3.27Å
97K97.1Very high96.1Very high107 Ų10756.3 Ų56.347%0.46532%0.315SS..EExtended strand (participates in β ladder)trans-123.1131.3-179.3-68.2175.1172.7176.30111.6C81 K82 V95 K101 E102C81-K97 VanDerWaalsContact CA-O 3.32Å; C81-K97 WeakPolarHBondContact CA-O 3.33Å; C81-K97 VanDerWaalsContact CB-O 3.25Å; C81-K97 WeakPolarHBondContact CB-O 3.39Å; K82-K97 PolarHBondContact N-O 3.05Å; K82-K97 PolarHBondContact O-N 2.99Å; V95-K97 HydrophobicContact CG1-CG 4.24Å; K97-K101 WeakPolarHBondContact CA-O 3.17Å; K97-E102 WeakPolarHBondContact CE-OE2 3.25Å; K97-E102 HydrophobicContact CG-CB 4.3Å; K97-E102 HydrophobicContact CG-CG 4.05Å; K97-E102 IonicContact NZ-OE2 3.22Å
98W96.1Very high96.2Very high24 Ų2454.1 Ų54.19%0.09130%0.304CS..EExtended strand (participates in β ladder)trans-153.2140.8176.772.5102.7000109.7L24 R79 C81 G100 K101 T103 F120L24-W98 HydrophobicContact CD2-CH2 3.53Å; L24-W98 HydrophobicContact CD2-CZ2 3.76Å; R79-W98 VanDerWaalsContact NH1-CZ2 3.34Å; C81-W98 HydrophobicContact CB-CB 4.03Å; W98-G100 PolarHBondContact O-N 2.94Å; W98-K101 HydrophobicContact CD2-CB 4.12Å; W98-K101 HydrophobicContact CE3-CB 4.39Å; W98-K101 HydrophobicContact CH2-CB 4.1Å; W98-K101 HydrophobicContact CZ2-CB 3.85Å; W98-K101 HydrophobicContact CZ2-CD 4.01Å; W98-K101 HydrophobicContact CZ3-CB 4.35Å; W98-K101 PolarHBondContact N-O 3.31Å; W98-K101 WeakPolarHBondContact O-CA 3.16Å; W98-K101 VanDerWaalsContact O-CB 3.31Å; W98-K101 WeakPolarHBondContact O-CB 3.44Å; W98-K101 PolarHBondContact O-N 3.22Å; W98-T103 HydrophobicContact CH2-CG2 4.09Å; W98-T103 HydrophobicContact CZ3-CG2 3.76Å; W98-F120 AromaticContact CH2-CD2 3.87Å; W98-F120 HydrophobicContact CH2-CD2 3.87Å; W98-F120 AromaticContact CH2-CE2 3.5Å; W98-F120 HydrophobicContact CH2-CE2 3.5Å; W98-F120 VanDerWaalsContact CH2-CE2 3.5Å; W98-F120 HydrophobicContact CH2-CZ 4.29Å; W98-F120 AromaticContact CZ2-CE2 3.9Å; W98-F120 HydrophobicContact CZ2-CE2 3.9Å; W98-F120 HydrophobicContact CZ2-CZ 4.27Å; W98-F120 HydrophobicContact CZ3-CE2 4.5Å
99D93.7Very high96.5Very high156 Ų15651.8 Ų51.883%0.83429%0.291SS*.THydrogen-bonded Turntrans46.438173.2-55.6-30.5000115.5K101D99-K101 PolarHBondContact O-N 3.38Å
100G93.5Very high96.7Very high92 Ų9253.5 Ų53.595%0.94828%0.28SS*.THydrogen-bonded Turntrans75.62.6-177.400000115.5W98W98-G100 PolarHBondContact O-N 2.94Å
101K95.6Very high96.8Very high96 Ų9656 Ų5642%0.41729%0.294SS..EExtended strand (participates in β ladder)trans-98155.9174.4-63.7177.6173.8-172.40111.3K97 W98 D99 F120K97-K101 WeakPolarHBondContact CA-O 3.17Å; W98-K101 HydrophobicContact CD2-CB 4.12Å; W98-K101 HydrophobicContact CE3-CB 4.39Å; W98-K101 HydrophobicContact CH2-CB 4.1Å; W98-K101 HydrophobicContact CZ2-CB 3.85Å; W98-K101 HydrophobicContact CZ2-CD 4.01Å; W98-K101 HydrophobicContact CZ3-CB 4.35Å; W98-K101 PolarHBondContact N-O 3.31Å; W98-K101 WeakPolarHBondContact O-CA 3.16Å; W98-K101 VanDerWaalsContact O-CB 3.31Å; W98-K101 WeakPolarHBondContact O-CB 3.44Å; W98-K101 PolarHBondContact O-N 3.22Å; D99-K101 PolarHBondContact O-N 3.38Å; K101-F120 HydrophobicContact CB-CE2 4.14Å; K101-F120 HydrophobicContact CB-CZ 4.45Å; K101-F120 HydrophobicContact CD-CZ 4.09Å; K101-F120 HydrophobicContact CG-CZ 4.48Å
102E96.5Very high96.7Very high94 Ų9454.7 Ų54.744%0.43930%0.303SS..EExtended strand (participates in β ladder)trans-139.4133.8177.9-175179.512100110.4V95 Q96 K97 F120V95-E102 VanDerWaalsContact CG1-CD 3.49Å; V95-E102 HydrophobicContact CG1-CG 3.55Å; Q96-E102 WeakPolarHBondContact O-CA 3.25Å; K97-E102 WeakPolarHBondContact CE-OE2 3.25Å; K97-E102 HydrophobicContact CG-CB 4.3Å; K97-E102 HydrophobicContact CG-CG 4.05Å; K97-E102 IonicContact NZ-OE2 3.22Å; E102-F120 WeakPolarHBondContact O-CD2 3.23Å; E102-F120 WeakPolarHBondContact O-CE2 3.33Å
103T97.4Very high96.7Very high1 Ų158.3 Ų58.31%0.00632%0.318CS..EExtended strand (participates in β ladder)trans-121.6149.9164.8-171.50000109.9Y20 Q96 W98 F105 T119Y20-T103 PolarHBondContact OH-OG1 2.87Å; Q96-T103 HydrophobicContact CB-CG2 3.84Å; Q96-T103 HydrophobicContact CG-CG2 4.28Å; Q96-T103 PolarHBondContact N-O 2.91Å; Q96-T103 PolarHBondContact O-N 3.13Å; W98-T103 HydrophobicContact CH2-CG2 4.09Å; W98-T103 HydrophobicContact CZ3-CG2 3.76Å; T103-F105 HydrophobicContact CG2-CE1 3.7Å; T103-F105 HydrophobicContact CG2-CZ 3.97Å; T103-T119 WeakPolarHBondContact CA-O 3.39Å; T103-T119 PolarHBondContact OG1-O 3.26Å
104K97.8Very high96.7Very high80 Ų8058.1 Ų58.135%0.34832%0.316SS..EExtended strand (participates in β ladder)trans-127.1130-177.5-174.8176.9-176.9178.40110.9H94 V95 V106 L118 T119H94-K104 CarbonylContact O-C 3.54Å; H94-K104 WeakPolarHBondContact O-CA 3.32Å; V95-K104 HydrophobicContact CG2-CG 4.18Å; K104-V106 HydrophobicContact CD-CG2 4.12Å; K104-V106 HydrophobicContact CG-CG2 4.05Å; K104-L118 WeakPolarHBondContact O-CA 3.26Å; K104-T119 PolarHBondContact N-O 3.29Å; K104-T119 PolarHBondContact O-N 3.12Å
105F97.5Very high96.7Very high21 Ų2159 Ų599%0.09232%0.322CS..EExtended strand (participates in β ladder)trans-107.9128.5168.5-43.1-26.6000108.8Y20 A93 H94 Q96 T103 T117 L118Y20-F105 WeakPolarHBondContact OH-CE1 3.42Å; A93-F105 CarbonylContact C-O 3.55Å; A93-F105 WeakPolarHBondContact CA-O 3.25Å; H94-F105 HydrophobicContact CB-CB 4.21Å; H94-F105 HydrophobicContact CB-CD2 4.37Å; H94-F105 PolarHBondContact N-O 3.32Å; H94-F105 AromaticContact ND1-CD2 3.63Å; H94-F105 PolarHBondContact O-N 2.97Å; Q96-F105 HydrophobicContact CG-CE2 4.41Å; Q96-F105 HydrophobicContact CG-CZ 4.43Å; Q96-F105 VanDerWaalsContact OE1-CZ 3.27Å; T103-F105 HydrophobicContact CG2-CE1 3.7Å; T103-F105 HydrophobicContact CG2-CZ 3.97Å; F105-T117 CarbonylContact C-O 3.58Å; F105-T117 WeakPolarHBondContact CA-O 3.23Å; F105-L118 HydrophobicContact CD1-CB 4.06Å; F105-L118 HydrophobicContact CD1-CD2 3.85Å; F105-L118 HydrophobicContact CD1-CG 3.98Å; F105-L118 HydrophobicContact CE1-CB 4.48Å; F105-L118 HydrophobicContact CE1-CD2 3.91Å; F105-L118 HydrophobicContact CE1-CG 4.47Å; F105-L118 HydrophobicContact CG-CD2 4.5Å; F105-L118 HydrophobicContact CZ-CD2 4.48Å
106V98.1Very high96.7Very high24 Ų2458.1 Ų58.115%0.14532%0.316CS..EExtended strand (participates in β ladder)trans-117.4118.5174.4-1800000108K91 K104 M116 T117K91-V106 HydrophobicContact CB-CG1 3.97Å; K91-V106 HydrophobicContact CD-CG1 3.8Å; K91-V106 HydrophobicContact CG-CG1 4.29Å; K104-V106 HydrophobicContact CD-CG2 4.12Å; K104-V106 HydrophobicContact CG-CG2 4.05Å; V106-M116 CarbonylContact O-C 3.58Å; V106-M116 WeakPolarHBondContact O-CA 3.48Å; V106-T117 PolarHBondContact N-O 3.18Å; V106-T117 PolarHBondContact O-N 2.86Å
107R98Very high96.7Very high15 Ų1559.4 Ų59.46%0.05732%0.324CS..EExtended strand (participates in β ladder)trans-105.7130.6176.4-68.6175.9-171.393.6-2109.5F5 K91 L92 L114 V115 M116F5-R107 HydrophobicContact CD1-CB 4.41Å; F5-R107 HydrophobicContact CE1-CB 4.04Å; F5-R107 WeakPolarHBondContact CE1-O 3.42Å; F5-R107 WeakPolarHBondContact CZ-O 3.3Å; K91-R107 WeakPolarHBondContact CA-O 3.2Å; L92-R107 HydrophobicContact CB-CB 4.19Å; L92-R107 PolarHBondContact N-O 3.3Å; L92-R107 PolarHBondContact O-N 3.46Å; R107-L114 HydrophobicContact CB-CD1 3.93Å; R107-L114 HydrophobicContact CG-CD1 4.36Å; R107-V115 WeakPolarHBondContact CA-O 3.4Å; R107-M116 HydrophobicContact CG-CB 4.15Å; R107-M116 HydrophobicContact CG-CG 3.89Å; R107-M116 HydrophobicContact CG-SD 4.21Å
108E97.3Very high96.8Very high19 Ų1954.6 Ų54.69%0.08930%0.304CS..EExtended strand (participates in β ladder)trans-138.3148.1176.960.7-170.4144.400110.2K91 K110 V115K91-E108 HydrophobicContact CG-CB 4.3Å; E108-K110 HydrophobicContact CG-CD 4.1Å; E108-K110 HydrophobicContact CG-CG 4.21Å; E108-K110 IonicContact OE1-NZ 2.76Å; E108-K110 PolarHBondContact OE1-NZ 3.07Å; E108-K110 WeakPolarHBondContact OE2-CE 3.38Å; E108-K110 IonicContact OE2-NZ 2.93Å; E108-K110 PolarHBondContact OE2-NZ 3.32Å; E108-V115 HydrophobicContact CG-CB 4.07Å; E108-V115 PolarHBondContact N-O 3.4Å; E108-V115 PolarHBondContact O-N 3.4Å
109I97.4Very high96.9Very high61 Ų6155.8 Ų55.831%0.31331%0.313SS..EExtended strand (participates in β ladder)trans-94.8114.6174.4-56.2-57.9000108.4F5 W9 K113 L114F5-I109 HydrophobicContact CD1-CD1 3.89Å; F5-I109 HydrophobicContact CD1-CG1 4.03Å; F5-I109 HydrophobicContact CE1-CD1 4.12Å; F5-I109 HydrophobicContact CE1-CG1 3.94Å; F5-I109 HydrophobicContact CZ-CG1 4.48Å; W9-I109 HydrophobicContact CH2-CD1 3.63Å; W9-I109 HydrophobicContact CZ2-CD1 3.58Å; I109-K113 CarbonylContact C-O 3.5Å; I109-K113 VanDerWaalsContact CA-O 3.3Å; I109-K113 WeakPolarHBondContact CA-O 3.44Å; I109-L114 HydrophobicContact CD1-CB 4Å; I109-L114 HydrophobicContact CD1-CD1 3.65Å; I109-L114 HydrophobicContact CD1-CG 4.48Å
110K95.5Very high97.1Very high97 Ų9748.6 Ų48.642%0.42228%0.275SS..EExtended strand (participates in β ladder)trans-123.4122.5177.8-75175.9165.6156.90109E108 G112 K113 V115E108-K110 HydrophobicContact CG-CD 4.1Å; E108-K110 HydrophobicContact CG-CG 4.21Å; E108-K110 IonicContact OE1-NZ 2.76Å; E108-K110 PolarHBondContact OE1-NZ 3.07Å; E108-K110 WeakPolarHBondContact OE2-CE 3.38Å; E108-K110 IonicContact OE2-NZ 2.93Å; E108-K110 PolarHBondContact OE2-NZ 3.32Å; K110-G112 PolarHBondContact O-N 3.36Å; K110-G112 VanDerWaalsContact O-N 3.12Å; K110-K113 PolarHBondContact N-O 3.02Å; K110-K113 WeakPolarHBondContact O-CA 3.49Å; K110-K113 WeakPolarHBondContact O-CB 3.26Å; K110-K113 PolarHBondContact O-N 2.64Å; K110-V115 HydrophobicContact CB-CG2 4.09Å; K110-V115 HydrophobicContact CD-CG2 4.19Å
111D94.8Very high97.1Very high168 Ų16850.9 Ų50.990%0.89826%0.261SS*.THydrogen-bonded Turntrans51.138.7178.2-53-47.7000113.6K113D111-K113 PolarHBondContact O-N 3.25Å
112G95Very high97.1Very high51 Ų5152.8 Ų52.853%0.52628%0.276SS..THydrogen-bonded Turntrans76.22.9-178.200000115.3W9 K110W9-G112 WeakPolarHBondContact CZ3-O 3.49Å; K110-G112 PolarHBondContact O-N 3.36Å; K110-G112 VanDerWaalsContact O-N 3.12Å
113K97.4Very high97.2Very high76 Ų7650.2 Ų50.233%0.3326%0.264SS..EExtended strand (participates in β ladder)trans-102.7147.6175-59.1-170.3178.3-1610110.9I109 K110 D111 T128 Y129 E130I109-K113 CarbonylContact C-O 3.5Å; I109-K113 VanDerWaalsContact CA-O 3.3Å; I109-K113 WeakPolarHBondContact CA-O 3.44Å; K110-K113 PolarHBondContact N-O 3.02Å; K110-K113 WeakPolarHBondContact O-CA 3.49Å; K110-K113 WeakPolarHBondContact O-CB 3.26Å; K110-K113 PolarHBondContact O-N 2.64Å; D111-K113 PolarHBondContact O-N 3.25Å; K113-T128 HydrophobicContact CB-CG2 4.19Å; K113-T128 HydrophobicContact CD-CG2 3.91Å; K113-Y129 WeakPolarHBondContact CA-O 3.03Å; K113-Y129 WeakPolarHBondContact CB-O 3.38Å; K113-E130 HydrophobicContact CD-CG 4.14Å; K113-E130 VanDerWaalsContact CE-OE1 3.25Å; K113-E130 WeakPolarHBondContact CE-OE1 3.19Å; K113-E130 HydrophobicContact CG-CG 4.25Å; K113-E130 IonicContact NZ-OE1 2.68Å; K113-E130 PolarHBondContact NZ-OE1 2.96Å
114L98.1Very high97.2Very high1 Ų153.2 Ų53.21%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-89112.3170.4174.175.1000108.4F5 W9 I43 R107 I109 Y129F5-L114 HydrophobicContact CD1-CD1 3.74Å; F5-L114 HydrophobicContact CE1-CD1 4.07Å; W9-L114 HydrophobicContact CB-CD2 3.97Å; W9-L114 HydrophobicContact CD2-CB 3.53Å; W9-L114 HydrophobicContact CD2-CD2 3.9Å; W9-L114 HydrophobicContact CD2-CG 4.3Å; W9-L114 HydrophobicContact CE3-CB 3.45Å; W9-L114 VanDerWaalsContact CE3-CB 3.45Å; W9-L114 HydrophobicContact CG-CB 4.1Å; W9-L114 HydrophobicContact CG-CD2 3.57Å; W9-L114 HydrophobicContact CG-CG 4.46Å; W9-L114 HydrophobicContact CH2-CB 4.15Å; W9-L114 HydrophobicContact CZ2-CB 4.21Å; W9-L114 HydrophobicContact CZ3-CB 3.78Å; I43-L114 HydrophobicContact CD1-CD2 4.45Å; R107-L114 HydrophobicContact CB-CD1 3.93Å; R107-L114 HydrophobicContact CG-CD1 4.36Å; I109-L114 HydrophobicContact CD1-CB 4Å; I109-L114 HydrophobicContact CD1-CD1 3.65Å; I109-L114 HydrophobicContact CD1-CG 4.48Å; L114-Y129 HydrophobicContact CD2-CD2 4.38Å; L114-Y129 HydrophobicContact CD2-CG 4.48Å; L114-Y129 PolarHBondContact N-O 2.95Å; L114-Y129 PolarHBondContact O-N 3.23Å
115V98.2Very high97.2Very high21 Ų2149.4 Ų49.413%0.12727%0.266CS..EExtended strand (participates in β ladder)trans-100.1122.4174.9-178.30000108.1R107 E108 K110 V126 T128R107-V115 WeakPolarHBondContact CA-O 3.4Å; E108-V115 HydrophobicContact CG-CB 4.07Å; E108-V115 PolarHBondContact N-O 3.4Å; E108-V115 PolarHBondContact O-N 3.4Å; K110-V115 HydrophobicContact CB-CG2 4.09Å; K110-V115 HydrophobicContact CD-CG2 4.19Å; V115-V126 HydrophobicContact CG1-CG1 3.86Å; V115-T128 HydrophobicContact CG2-CG2 4.41Å
116M98.2Very high97.3Very high13 Ų1350.4 Ų50.46%0.06427%0.274CS..EExtended strand (participates in β ladder)trans-113.9114.1178.3-175.7171.273.700109.6V106 R107 L118 V126 R127 Y129V106-M116 CarbonylContact O-C 3.58Å; V106-M116 WeakPolarHBondContact O-CA 3.48Å; R107-M116 HydrophobicContact CG-CB 4.15Å; R107-M116 HydrophobicContact CG-CG 3.89Å; R107-M116 HydrophobicContact CG-SD 4.21Å; M116-L118 HydrophobicContact CE-CD1 4.03Å; M116-L118 HydrophobicContact CE-CD2 4.23Å; M116-L118 HydrophobicContact CE-CG 4.31Å; M116-L118 HydrophobicContact CG-CD1 4.42Å; M116-L118 HydrophobicContact CG-CG 4.47Å; M116-V126 CarbonylContact O-C 3.53Å; M116-V126 WeakPolarHBondContact O-CA 3.5Å; M116-R127 HydrophobicContact CB-CB 4.48Å; M116-R127 HydrophobicContact CE-CB 4.18Å; M116-R127 PolarHBondContact N-O 3.47Å; M116-R127 PolarHBondContact O-N 2.64Å; M116-Y129 HydrophobicContact CB-CE2 4.17Å; M116-Y129 HydrophobicContact CE-CE2 4.09Å; M116-Y129 WeakPolarHBondContact CE-OH 3.34Å
117T98.4Very high97.3Very high30 Ų3049.7 Ų49.718%0.18427%0.268CS..EExtended strand (participates in β ladder)trans-95.8126172.6-53.60000108.8F105 V106 V124 A125 V126F105-T117 CarbonylContact C-O 3.58Å; F105-T117 WeakPolarHBondContact CA-O 3.23Å; V106-T117 PolarHBondContact N-O 3.18Å; V106-T117 PolarHBondContact O-N 2.86Å; T117-V124 HydrophobicContact CG2-CG1 3.62Å; T117-A125 CarbonylContact C-O 3.58Å; T117-A125 WeakPolarHBondContact CA-O 3.49Å; T117-V126 HydrophobicContact CG2-CG2 4.49Å
118L98Very high97.3Very high7 Ų750 Ų504%0.03727%0.272CS..EExtended strand (participates in β ladder)trans-108.9128.6174.8-50.193.1000108.6F17 Y20 K104 F105 M116 V124 A125 R127F17-L118 HydrophobicContact CE2-CD2 4.21Å; Y20-L118 HydrophobicContact CD1-CB 4.46Å; Y20-L118 HydrophobicContact CD1-CD2 4.25Å; Y20-L118 HydrophobicContact CD2-CB 3.98Å; Y20-L118 HydrophobicContact CE1-CB 4.22Å; Y20-L118 HydrophobicContact CE1-CD2 3.74Å; Y20-L118 HydrophobicContact CE2-CB 3.7Å; Y20-L118 HydrophobicContact CG-CB 4.37Å; K104-L118 WeakPolarHBondContact O-CA 3.26Å; F105-L118 HydrophobicContact CD1-CB 4.06Å; F105-L118 HydrophobicContact CD1-CD2 3.85Å; F105-L118 HydrophobicContact CD1-CG 3.98Å; F105-L118 HydrophobicContact CE1-CB 4.48Å; F105-L118 HydrophobicContact CE1-CD2 3.91Å; F105-L118 HydrophobicContact CE1-CG 4.47Å; F105-L118 HydrophobicContact CG-CD2 4.5Å; F105-L118 HydrophobicContact CZ-CD2 4.48Å; M116-L118 HydrophobicContact CE-CD1 4.03Å; M116-L118 HydrophobicContact CE-CD2 4.23Å; M116-L118 HydrophobicContact CE-CG 4.31Å; M116-L118 HydrophobicContact CG-CD1 4.42Å; M116-L118 HydrophobicContact CG-CG 4.47Å; L118-V124 CarbonylContact O-C 3.59Å; L118-V124 WeakPolarHBondContact O-CA 3.49Å; L118-A125 HydrophobicContact CB-CB 4.45Å; L118-A125 HydrophobicContact CD1-CB 4.17Å; L118-A125 PolarHBondContact N-O 3.24Å; L118-A125 PolarHBondContact O-N 2.81Å; L118-R127 HydrophobicContact CD1-CG 4.02Å
119T98.3Very high97.3Very high49 Ų4949.4 Ų49.430%0.30127%0.269SS..EExtended strand (participates in β ladder)trans-127124.7-179.5-54.30000110T103 K104 I123 V124T103-T119 WeakPolarHBondContact CA-O 3.39Å; T103-T119 PolarHBondContact OG1-O 3.26Å; K104-T119 PolarHBondContact N-O 3.29Å; K104-T119 PolarHBondContact O-N 3.12Å; T119-I123 WeakPolarHBondContact CA-O 3.29Å; T119-V124 HydrophobicContact CG2-CG2 4.27Å
120F97.6Very high97.3Very high4 Ų450.5 Ų50.52%0.01827%0.273CS..EExtended strand (participates in β ladder)trans-136.4119.6170.4-178-108.8000108.6Y20 A23 L24 W98 K101 E102 D122 I123Y20-F120 HydrophobicContact CD2-CB 4.07Å; Y20-F120 HydrophobicContact CE2-CB 3.6Å; A23-F120 HydrophobicContact CB-CD1 3.81Å; A23-F120 HydrophobicContact CB-CE1 4.3Å; A23-F120 WeakPolarHBondContact O-CE1 3.43Å; L24-F120 HydrophobicContact CD2-CB 4.25Å; L24-F120 HydrophobicContact CD2-CD1 3.93Å; L24-F120 HydrophobicContact CD2-CD2 3.78Å; L24-F120 HydrophobicContact CD2-CE1 4.25Å; L24-F120 HydrophobicContact CD2-CE2 4.12Å; L24-F120 HydrophobicContact CD2-CG 3.69Å; L24-F120 HydrophobicContact CD2-CZ 4.35Å; L24-F120 HydrophobicContact CG-CD1 4.49Å; W98-F120 AromaticContact CH2-CD2 3.87Å; W98-F120 HydrophobicContact CH2-CD2 3.87Å; W98-F120 AromaticContact CH2-CE2 3.5Å; W98-F120 HydrophobicContact CH2-CE2 3.5Å; W98-F120 VanDerWaalsContact CH2-CE2 3.5Å; W98-F120 HydrophobicContact CH2-CZ 4.29Å; W98-F120 AromaticContact CZ2-CE2 3.9Å; W98-F120 HydrophobicContact CZ2-CE2 3.9Å; W98-F120 HydrophobicContact CZ2-CZ 4.27Å; W98-F120 HydrophobicContact CZ3-CE2 4.5Å; K101-F120 HydrophobicContact CB-CE2 4.14Å; K101-F120 HydrophobicContact CB-CZ 4.45Å; K101-F120 HydrophobicContact CD-CZ 4.09Å; K101-F120 HydrophobicContact CG-CZ 4.48Å; E102-F120 WeakPolarHBondContact O-CD2 3.23Å; E102-F120 WeakPolarHBondContact O-CE2 3.33Å; F120-D122 PolarHBondContact O-N 3.01Å; F120-I123 PolarHBondContact N-O 3.02Å; F120-I123 WeakPolarHBondContact O-CB 3.33Å; F120-I123 PolarHBondContact O-N 2.72Å
121E94.8Very high97.4Very high140 Ų14052.6 Ų52.665%0.65428%0.282SS*.THydrogen-bonded Turntrans53.8-124.7-170.5-58.9179.5169.800111.2
122D95.4Very high97.2Very high137 Ų13748.9 Ų48.973%0.73328%0.275SS*.THydrogen-bonded Turntrans-89.3-2.7175.462.4-38.9000113.5F120F120-D122 PolarHBondContact O-N 3.01Å
123I97.6Very high97.3Very high39 Ų3948.8 Ų48.820%0.226%0.262CS..EExtended strand (participates in β ladder)trans-89.8128-177.9-54.1-59.9000111E19 A23 T119 F120E19-I123 HydrophobicContact CB-CG2 4.4Å; A23-I123 HydrophobicContact CB-CG1 4.1Å; T119-I123 WeakPolarHBondContact CA-O 3.29Å; F120-I123 PolarHBondContact N-O 3.02Å; F120-I123 WeakPolarHBondContact O-CB 3.33Å; F120-I123 PolarHBondContact O-N 2.72Å
124V98.2Very high97.3Very high65 Ų6547.3 Ų47.339%0.39426%0.258SS..EExtended strand (participates in β ladder)trans-121.2129.7176-178.40000109.8N16 T117 L118 T119N16-V124 WeakPolarHBondContact CB-O 3.44Å; N16-V124 PolarHBondContact ND2-O 3.2Å; T117-V124 HydrophobicContact CG2-CG1 3.62Å; L118-V124 CarbonylContact O-C 3.59Å; L118-V124 WeakPolarHBondContact O-CA 3.49Å; T119-V124 HydrophobicContact CG2-CG2 4.27Å
125A98.2Very high97.2Very high0 Ų049.9 Ų49.90%027%0.273CS..EExtended strand (participates in β ladder)trans-120.1149.2169.500000110.2D15 N16 F17 Y20 T117 L118D15-A125 WeakPolarHBondContact O-CA 3.26Å; D15-A125 WeakPolarHBondContact O-CB 3.18Å; N16-A125 HydrophobicContact CB-CB 4.46Å; F17-A125 HydrophobicContact CD2-CB 4.5Å; Y20-A125 HydrophobicContact CG-CB 4.11Å; T117-A125 CarbonylContact C-O 3.58Å; T117-A125 WeakPolarHBondContact CA-O 3.49Å; L118-A125 HydrophobicContact CB-CB 4.45Å; L118-A125 HydrophobicContact CD1-CB 4.17Å; L118-A125 PolarHBondContact N-O 3.24Å; L118-A125 PolarHBondContact O-N 2.81Å
126V98.3Very high97.2Very high42 Ų4251.6 Ų51.626%0.25528%0.281SS..EExtended strand (participates in β ladder)trans-126.4131.4179.5-1780000109.2S14 D15 V115 M116 T117S14-V126 CarbonylContact C-O 3.58Å; S14-V126 WeakPolarHBondContact CA-O 3.32Å; D15-V126 PolarHBondContact N-O 3.12Å; D15-V126 PolarHBondContact O-N 3.13Å; D15-V126 VanDerWaalsContact O-N 3.08Å; V115-V126 HydrophobicContact CG1-CG1 3.86Å; M116-V126 CarbonylContact O-C 3.53Å; M116-V126 WeakPolarHBondContact O-CA 3.5Å; T117-V126 HydrophobicContact CG2-CG2 4.49Å
127R98Very high97.1Very high8 Ų854 Ų543%0.0330%0.295CS..EExtended strand (participates in β ladder)trans-124.7125.4176.2-67.4-17878.293.8-21.4109.2L11 S14 M116 L118 Y129L11-R127 HydrophobicContact CD1-CB 3.75Å; L11-R127 HydrophobicContact CD1-CG 4.26Å; S14-R127 PolarHBondContact OG-NH1 3.17Å; M116-R127 HydrophobicContact CB-CB 4.48Å; M116-R127 HydrophobicContact CE-CB 4.18Å; M116-R127 PolarHBondContact N-O 3.47Å; M116-R127 PolarHBondContact O-N 2.64Å; L118-R127 HydrophobicContact CD1-CG 4.02Å; R127-Y129 HydrophobicContact CB-CD2 4.47Å; R127-Y129 HydrophobicContact CB-CE2 3.59Å; R127-Y129 PolarHBondContact NE-OH 3.19Å
128T98.3Very high97Very high23 Ų2355.6 Ų55.614%0.14130%0.302CS..EExtended strand (participates in β ladder)trans-109.8131.1-178.2-53.90000110V12 D13 K113 V115V12-T128 HydrophobicContact CG2-CG2 4.23Å; V12-T128 VanDerWaalsContact CG2-O 3.31Å; V12-T128 WeakPolarHBondContact CG2-O 3.49Å; V12-T128 PolarHBondContact N-O 3.13Å; D13-T128 PolarHBondContact N-O 3.22Å; D13-T128 PolarHBondContact O-N 3.13Å; K113-T128 HydrophobicContact CB-CG2 4.19Å; K113-T128 HydrophobicContact CD-CG2 3.91Å; V115-T128 HydrophobicContact CG2-CG2 4.41Å
129Y98.3Very high97Very high5 Ų559.1 Ų59.12%0.0232%0.321CS..EExtended strand (participates in β ladder)trans-123.3142.6-178.5-55.8-110.5000111W9 K10 L11 V41 K113 L114 M116 R127W9-Y129 HydrophobicContact CB-CD1 4.27Å; W9-Y129 HydrophobicContact CB-CG 4.3Å; K10-Y129 CarbonylContact O-C 3.58Å; K10-Y129 WeakPolarHBondContact O-CA 3.42Å; K10-Y129 WeakPolarHBondContact O-CB 3.39Å; L11-Y129 VanDerWaalsContact CA-CD1 3.49Å; L11-Y129 HydrophobicContact CB-CD1 3.87Å; L11-Y129 HydrophobicContact CB-CE1 3.72Å; L11-Y129 HydrophobicContact CD1-CD1 4.11Å; L11-Y129 HydrophobicContact CD1-CD2 4.14Å; L11-Y129 HydrophobicContact CD1-CE1 3.71Å; L11-Y129 HydrophobicContact CD1-CE2 3.74Å; L11-Y129 HydrophobicContact CD1-CG 4.28Å; L11-Y129 VanDerWaalsContact CD1-CZ 3.5Å; L11-Y129 HydrophobicContact CG-CE1 4.35Å; L11-Y129 VanDerWaalsContact N-CD1 3.31Å; V41-Y129 HydrophobicContact CB-CE1 4.4Å; V41-Y129 HydrophobicContact CG2-CD1 4.26Å; V41-Y129 HydrophobicContact CG2-CE1 3.62Å; K113-Y129 WeakPolarHBondContact CA-O 3.03Å; K113-Y129 WeakPolarHBondContact CB-O 3.38Å; L114-Y129 HydrophobicContact CD2-CD2 4.38Å; L114-Y129 HydrophobicContact CD2-CG 4.48Å; L114-Y129 PolarHBondContact N-O 2.95Å; L114-Y129 PolarHBondContact O-N 3.23Å; M116-Y129 HydrophobicContact CB-CE2 4.17Å; M116-Y129 HydrophobicContact CE-CE2 4.09Å; M116-Y129 WeakPolarHBondContact CE-OH 3.34Å; R127-Y129 HydrophobicContact CB-CD2 4.47Å; R127-Y129 HydrophobicContact CB-CE2 3.59Å; R127-Y129 PolarHBondContact NE-OH 3.19Å
130E97.9Very high96.9Very high84 Ų8459.8 Ų59.839%0.39332%0.323SS..EExtended strand (participates in β ladder)trans-101.5145.4172.3-75.9178.217800110.6W9 K10 V12 K113 A132W9-E130 CarbonylContact C-O 3.58Å; W9-E130 WeakPolarHBondContact CA-O 3.26Å; K10-E130 PolarHBondContact N-O 3.18Å; K10-E130 PolarHBondContact O-N 3.41Å; V12-E130 HydrophobicContact CB-CG 4.45Å; V12-E130 HydrophobicContact CG1-CB 3.91Å; V12-E130 HydrophobicContact CG1-CG 3.82Å; V12-E130 HydrophobicContact CG2-CG 3.85Å; K113-E130 HydrophobicContact CD-CG 4.14Å; K113-E130 VanDerWaalsContact CE-OE1 3.25Å; K113-E130 WeakPolarHBondContact CE-OE1 3.19Å; K113-E130 HydrophobicContact CG-CG 4.25Å; K113-E130 IonicContact NZ-OE1 2.68Å; K113-E130 PolarHBondContact NZ-OE1 2.96Å; E130-A132 PolarHBondContact O-N 3.09Å
131K96.5Very high96.8Very high141 Ų14164.5 Ų64.561%0.61335%0.348SS*.EExtended strand (participates in β ladder)trans-65.9127.8175.7-165.6171.2-179.7172.50109.1A7 T8 W9A7-K131 HydrophobicContact CB-CD 4.17Å; A7-K131 HydrophobicContact CB-CG 4.04Å; T8-K131 WeakPolarHBondContact O-CA 3.45Å; W9-K131 HydrophobicContact CE3-CB 4.06Å; W9-K131 HydrophobicContact CH2-CB 4.29Å; W9-K131 HydrophobicContact CZ3-CB 3.73Å; W9-K131 HydrophobicContact CZ3-CG 4.38Å
132A90.2Very high97Very high90 Ų9057.6 Ų57.674%0.74432%0.32SS*.  trans-76.20-179.700000113T8 K10 E130T8-A132 HydrophobicContact CG2-CB 3.62Å; T8-A132 PolarHBondContact O-N 3.39Å; K10-A132 HydrophobicContact CD-CB 3.89Å; K10-A132 HydrophobicContact CG-CB 4.08Å; E130-A132 PolarHBondContact O-N 3.09Å

Retrieved 132 of 132 residues in 1028.3 ms (Link to these results)

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