A0A2K6B6Y6_MACNE Loading...

Fatty acid binding protein 3

AlphaFold DB , UniProt , Accession A0A2K6B6Y6, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene FABP3, Length 133 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
1M79.6Confident95.2Very high179 Ų17947.5 Ų47.588%0.88227%0.267SS*.  0143.10-153.3175.3-100.400107.7D3M1-D3 WeakPolarHBondContact CG-OD2 3.12Å; M1-D3 PolarHBondContact O-N 3.03Å; M1-D3 VanDerWaalsContact O-N 3.15Å
2V92.2Very high95.4Very high10 Ų1048.5 Ų48.56%0.06127%0.274CS..G310 helixtrans-64.7-18.4-173.9700000113.2A4 F5 K45 L50 L67 L92V2-A4 PolarHBondContact O-N 3.47Å; V2-A4 VanDerWaalsContact O-N 3.11Å; V2-F5 HydrophobicContact CG2-CD2 4.48Å; V2-F5 WeakPolarHBondContact O-CB 3.48Å; V2-F5 PolarHBondContact O-N 2.9Å; V2-K45 HydrophobicContact CG1-CD 4.06Å; V2-L50 HydrophobicContact CG1-CD2 4.22Å; V2-L50 HydrophobicContact CG2-CD1 3.84Å; V2-L50 HydrophobicContact CG2-CD2 3.95Å; V2-L67 HydrophobicContact CB-CD1 4.46Å; V2-L92 HydrophobicContact CG2-CD1 4.26Å
3D94.3Very high95.7Very high62 Ų6249.8 Ų49.833%0.33228%0.28SS..G310 helixtrans-61.5-26.2-173.4-50-61.3000113.4M1 F5 L6 K45M1-D3 WeakPolarHBondContact CG-OD2 3.12Å; M1-D3 PolarHBondContact O-N 3.03Å; M1-D3 VanDerWaalsContact O-N 3.15Å; D3-F5 PolarHBondContact O-N 3.15Å; D3-L6 HydrophobicContact CB-CD1 4.17Å; D3-L6 WeakPolarHBondContact O-CB 3.46Å; D3-L6 PolarHBondContact O-N 3.15Å; D3-L6 VanDerWaalsContact O-N 3.14Å; D3-K45 IonicContact OD1-NZ 3.25Å; D3-K45 PolarHBondContact OD1-NZ 3.37Å; D3-K45 IonicContact OD2-NZ 3.52Å
4A94Very high95.8Very high56 Ų5649.1 Ų49.146%0.46328%0.28SS..G310 helixtrans-64.8-25.7175.100000113.2V2 L109V2-A4 PolarHBondContact O-N 3.47Å; V2-A4 VanDerWaalsContact O-N 3.11Å; A4-L109 HydrophobicContact CB-CD1 3.48Å; A4-L109 VanDerWaalsContact CB-CD1 3.48Å; A4-L109 WeakPolarHBondContact O-CD1 3.28Å
5F97.4Very high96Very high4 Ų454.1 Ų54.12%0.01830%0.298CS..G310 helixtrans-82-14.2177.2-65.5-86.1000112.9V2 D3 W9 I43 L87 G90 L92 R107 L109 L114V2-F5 HydrophobicContact CG2-CD2 4.48Å; V2-F5 WeakPolarHBondContact O-CB 3.48Å; V2-F5 PolarHBondContact O-N 2.9Å; D3-F5 PolarHBondContact O-N 3.15Å; F5-W9 PolarHBondContact O-NE1 3.25Å; F5-I43 HydrophobicContact CB-CD1 4.17Å; F5-L87 HydrophobicContact CE2-CD1 4.12Å; F5-G90 WeakPolarHBondContact CZ-O 3.5Å; F5-L92 HydrophobicContact CE1-CB 4.33Å; F5-L92 HydrophobicContact CE2-CB 4.31Å; F5-L92 HydrophobicContact CZ-CB 4.18Å; F5-R107 HydrophobicContact CD1-CB 4.45Å; F5-R107 HydrophobicContact CE1-CB 4.04Å; F5-L109 HydrophobicContact CD1-CD1 4.26Å; F5-L109 HydrophobicContact CD1-CD2 4.37Å; F5-L109 HydrophobicContact CD1-CG 4.07Å; F5-L109 HydrophobicContact CD2-CD1 4.5Å; F5-L109 HydrophobicContact CE1-CD1 4.25Å; F5-L109 HydrophobicContact CE1-CD2 4.42Å; F5-L109 HydrophobicContact CE1-CG 3.79Å; F5-L109 HydrophobicContact CE2-CD1 4.49Å; F5-L109 HydrophobicContact CG-CD1 4.39Å; F5-L109 HydrophobicContact CZ-CD1 4.37Å; F5-L109 HydrophobicContact CZ-CG 4.18Å; F5-L114 HydrophobicContact CD1-CD1 3.62Å; F5-L114 HydrophobicContact CE1-CD1 3.77Å
6L97.9Very high96.1Very high42 Ų4256.8 Ų56.822%0.2231%0.311CS..  trans-68.7142.3-175.6-57.5178.2000111.9D3 I43 K45 L50 K131D3-L6 HydrophobicContact CB-CD1 4.17Å; D3-L6 WeakPolarHBondContact O-CB 3.46Å; D3-L6 PolarHBondContact O-N 3.15Å; D3-L6 VanDerWaalsContact O-N 3.14Å; L6-I43 WeakPolarHBondContact CA-O 3.35Å; L6-I43 HydrophobicContact CD2-CG2 3.93Å; L6-K45 HydrophobicContact CD1-CB 3.94Å; L6-K45 HydrophobicContact CD1-CD 4.39Å; L6-K45 HydrophobicContact CD2-CB 3.84Å; L6-L50 HydrophobicContact CD2-CD2 4.12Å; L6-K131 WeakPolarHBondContact O-CE 3.19Å; L6-K131 PolarHBondContact O-NZ 3.16Å
7G97.9Very high96.3Very high25 Ų2555.3 Ų55.326%0.25830%0.301SS..EExtended strand (participates in β ladder)trans124.2-167.7179.100000113I42 I43G7-I42 WeakPolarHBondContact O-CA 3.31Å; G7-I43 PolarHBondContact N-O 2.76Å; G7-I43 PolarHBondContact O-N 3.32Å
8T98.6Very high96.4Very high36 Ų3654.7 Ų54.722%0.22130%0.297CS..EExtended strand (participates in β ladder)trans-103.7134.5-177.7-56.70000110.2T40 T41 I42 K131 E132T8-T40 HydrophobicContact CG2-CG2 3.29Å; T8-T41 CarbonylContact C-O 3.55Å; T8-I42 HydrophobicContact CG2-CG1 4.11Å; T8-K131 WeakPolarHBondContact O-CA 3.45Å; T8-E132 HydrophobicContact CG2-CB 4.01Å; T8-E132 WeakPolarHBondContact CG2-OE2 3.49Å; T8-E132 PolarHBondContact O-N 3.25Å
9W98.7Very high96.5Very high5 Ų556.2 Ų56.22%0.01931%0.305CS..EExtended strand (participates in β ladder)trans-131.2127.4-171.7-62.794.5000109.9F5 T40 T41 L109 L114 Y129 E130 K131F5-W9 PolarHBondContact O-NE1 3.25Å; W9-T40 CarbonylContact O-C 3.6Å; W9-T40 VanDerWaalsContact O-CA 3.31Å; W9-T40 WeakPolarHBondContact O-CA 3.48Å; W9-T41 WeakPolarHBondContact CB-O 3.43Å; W9-T41 PolarHBondContact N-O 2.94Å; W9-T41 PolarHBondContact O-N 2.73Å; W9-L109 HydrophobicContact CH2-CD2 3.53Å; W9-L109 HydrophobicContact CZ2-CD2 3.94Å; W9-L109 HydrophobicContact CZ3-CD2 4.28Å; W9-L114 HydrophobicContact CB-CD2 4.16Å; W9-L114 HydrophobicContact CD2-CB 3.77Å; W9-L114 HydrophobicContact CD2-CD2 3.81Å; W9-L114 HydrophobicContact CD2-CG 4.42Å; W9-L114 HydrophobicContact CE3-CB 3.44Å; W9-L114 VanDerWaalsContact CE3-CB 3.44Å; W9-L114 HydrophobicContact CE3-CD2 4.35Å; W9-L114 HydrophobicContact CG-CB 4.45Å; W9-L114 HydrophobicContact CG-CD2 3.7Å; W9-L114 HydrophobicContact CH2-CB 4.12Å; W9-L114 HydrophobicContact CZ2-CB 4.39Å; W9-L114 HydrophobicContact CZ3-CB 3.63Å; W9-Y129 HydrophobicContact CB-CD1 4.15Å; W9-Y129 HydrophobicContact CB-CG 4.41Å; W9-E130 CarbonylContact C-O 3.57Å; W9-E130 WeakPolarHBondContact CA-O 3.43Å; W9-K131 HydrophobicContact CD2-CB 4.48Å; W9-K131 HydrophobicContact CD2-CG 4.48Å; W9-K131 HydrophobicContact CE3-CB 3.91Å; W9-K131 HydrophobicContact CE3-CG 4.38Å; W9-K131 HydrophobicContact CH2-CB 4.07Å; W9-K131 HydrophobicContact CH2-CD 4.06Å; W9-K131 HydrophobicContact CH2-CG 4.24Å; W9-K131 HydrophobicContact CZ2-CD 4.13Å; W9-K131 HydrophobicContact CZ2-CG 4.34Å; W9-K131 HydrophobicContact CZ3-CB 3.69Å; W9-K131 HydrophobicContact CZ3-CG 4.26Å
10K98.3Very high96.6Very high91 Ų9153.9 Ų53.940%0.39629%0.292SS..EExtended strand (participates in β ladder)trans-106.8134.3178.5-70.7-176.1176.9169.20111.2V12 Y129 E130 E132K10-V12 PolarHBondContact O-N 2.81Å; K10-Y129 VanDerWaalsContact C-CD1 3.41Å; K10-Y129 CarbonylContact O-C 3.52Å; K10-Y129 WeakPolarHBondContact O-CA 3.18Å; K10-E130 PolarHBondContact N-O 3.18Å; K10-E130 PolarHBondContact O-N 3.38Å; K10-E132 WeakPolarHBondContact CE-OE1 3.49Å; K10-E132 IonicContact NZ-OE1 3.45Å; K10-E132 PolarHBondContact NZ-OE1 3.45Å
11L98.4Very high96.7Very high13 Ų1351.8 Ų51.87%0.06828%0.28CS..EExtended strand (participates in β ladder)trans-63.6127.9174.8-17484.8000110.7D13 K38 P39 R127 Y129L11-D13 WeakPolarHBondContact CD1-O 3.29Å; L11-K38 HydrophobicContact CB-CB 4.4Å; L11-K38 HydrophobicContact CD2-CG 4.41Å; L11-P39 HydrophobicContact CB-CG 4.41Å; L11-P39 PolarHBondContact N-O 2.98Å; L11-P39 VanDerWaalsContact N-O 3.11Å; L11-R127 HydrophobicContact CD1-CB 3.76Å; L11-R127 HydrophobicContact CD1-CG 4.25Å; L11-Y129 HydrophobicContact CB-CD1 4.09Å; L11-Y129 HydrophobicContact CB-CE1 3.77Å; L11-Y129 HydrophobicContact CD1-CD2 4Å; L11-Y129 HydrophobicContact CD1-CE1 4.08Å; L11-Y129 HydrophobicContact CD1-CE2 3.49Å; L11-Y129 VanDerWaalsContact CD1-CE2 3.49Å; L11-Y129 HydrophobicContact CD1-CG 4.46Å
12V98.1Very high97.6Very high59 Ų5949.5 Ų49.536%0.35827%0.265SS..EExtended strand (participates in β ladder)trans-117.3-27.5175.1-63.20000113.8K10 T128 E130K10-V12 PolarHBondContact O-N 2.81Å; V12-T128 HydrophobicContact CG2-CG2 3.85Å; V12-T128 WeakPolarHBondContact CG2-O 3.41Å; V12-T128 PolarHBondContact N-O 2.92Å; V12-E130 HydrophobicContact CG1-CB 3.96Å; V12-E130 HydrophobicContact CG1-CG 3.94Å; V12-E130 HydrophobicContact CG2-CG 3.82Å
13D98.3Very high97.8Very high65 Ų6551.2 Ų51.235%0.34828%0.278SS..EExtended strand (participates in β ladder)trans-144.5150.7178.7-177.553.7000111.5L11 K15 R127 T128L11-D13 WeakPolarHBondContact CD1-O 3.29Å; D13-K15 VanDerWaalsContact OD2-CE 3.31Å; D13-K15 WeakPolarHBondContact OD2-CE 3.46Å; D13-K15 IonicContact OD2-NZ 2.89Å; D13-R127 WeakPolarHBondContact O-CA 3.4Å; D13-T128 PolarHBondContact N-O 2.82Å; D13-T128 PolarHBondContact O-N 3.16Å
14S98.2Very high98Very high40 Ų4049.3 Ų49.328%0.2827%0.267SS..EExtended strand (participates in β ladder)trans-153.9127.3179.5173.50000111.6F17 T126 R127S14-F17 WeakPolarHBondContact OG-CB 3.17Å; S14-T126 WeakPolarHBondContact CA-O 3.38Å; S14-R127 PolarHBondContact OG-NH1 2.85Å
15K98.5Very high98.1Very high125 Ų12549.7 Ų49.754%0.54328%0.277SS..EExtended strand (participates in β ladder)trans-125.6134.5-179.6-63.3174.9-177.1169.70110.4D13 F17 C125 T126D13-K15 VanDerWaalsContact OD2-CE 3.31Å; D13-K15 WeakPolarHBondContact OD2-CE 3.46Å; D13-K15 IonicContact OD2-NZ 2.89Å; K15-F17 VanDerWaalsContact C-N 3.27Å; K15-F17 PolarHBondContact O-N 3.3Å; K15-C125 VanDerWaalsContact O-CA 3.32Å; K15-C125 WeakPolarHBondContact O-CA 3.36Å; K15-C125 PolarHBondContact O-SG 2.94Å; K15-T126 PolarHBondContact N-O 2.99Å; K15-T126 PolarHBondContact O-N 2.89Å; K15-T126 VanDerWaalsContact O-N 3.09Å
16N98.2Very high98.1Very high96 Ų9650.2 Ų50.251%0.51328%0.28SS..SBendtrans6024.3177.3-53-15.8000115.9D18 D19 Y20 V124 C125N16-D18 PolarHBondContact O-N 2.85Å; N16-D19 PolarHBondContact O-N 3.11Å; N16-Y20 PolarHBondContact O-N 2.82Å; N16-Y20 VanDerWaalsContact O-N 3.14Å; N16-V124 VanDerWaalsContact CB-O 3.31Å; N16-V124 WeakPolarHBondContact CB-O 3.43Å; N16-V124 PolarHBondContact ND2-O 3.14Å; N16-C125 HydrophobicContact CB-CB 4.49Å
17F98.3Very high98Very high32 Ų3250.2 Ų50.214%0.1429%0.291CS..Hα-helixtrans-69.1-33.1-179.7-171.9-130.2000113S14 K15 Y20 M21 A34 L118 C125S14-F17 WeakPolarHBondContact OG-CB 3.17Å; K15-F17 VanDerWaalsContact C-N 3.27Å; K15-F17 PolarHBondContact O-N 3.3Å; F17-Y20 HydrophobicContact CD2-CD1 4.21Å; F17-Y20 HydrophobicContact CE2-CD1 4.13Å; F17-Y20 PolarHBondContact O-N 2.91Å; F17-M21 HydrophobicContact CD1-CE 3.48Å; F17-M21 VanDerWaalsContact CD1-CE 3.48Å; F17-M21 HydrophobicContact CD1-SD 4.03Å; F17-M21 HydrophobicContact CD2-CG 4.25Å; F17-M21 HydrophobicContact CE1-CE 3.65Å; F17-M21 HydrophobicContact CE1-CG 4.23Å; F17-M21 HydrophobicContact CE1-SD 3.57Å; F17-M21 VanDerWaalsContact CE1-SD 3.57Å; F17-M21 HydrophobicContact CE2-CG 3.95Å; F17-M21 HydrophobicContact CE2-SD 4.35Å; F17-M21 HydrophobicContact CG-CE 4.05Å; F17-M21 HydrophobicContact CZ-CE 4.32Å; F17-M21 HydrophobicContact CZ-CG 3.94Å; F17-M21 HydrophobicContact CZ-SD 3.75Å; F17-M21 WeakPolarHBondContact O-CB 3.46Å; F17-M21 WeakPolarHBondContact O-CG 3.41Å; F17-M21 PolarHBondContact O-N 3.47Å; F17-A34 HydrophobicContact CE1-CB 4.14Å; F17-L118 HydrophobicContact CD2-CD1 4Å; F17-L118 HydrophobicContact CE2-CD1 3.86Å; F17-C125 VanDerWaalsContact CA-SG 3.59Å
18D98Very high97.9Very high44 Ų4455.5 Ų55.524%0.23531%0.307CS..Hα-helixtrans-60.3-45.2172.4-167.473.4000111.9N16 M21 K22 R31 N35N16-D18 PolarHBondContact O-N 2.85Å; D18-M21 PolarHBondContact O-N 2.82Å; D18-K22 VanDerWaalsContact O-CB 3.28Å; D18-K22 WeakPolarHBondContact O-CB 3.46Å; D18-K22 PolarHBondContact O-N 2.94Å; D18-R31 WeakPolarHBondContact OD1-CB 3.3Å; D18-R31 WeakPolarHBondContact OD1-CD 3.37Å; D18-R31 IonicContact OD1-CZ 2.89Å; D18-R31 IonicContact OD1-NE 3.8Å; D18-R31 PolarHBondContact OD1-NE 2.89Å; D18-R31 IonicContact OD2-NE 3.93Å; D18-R31 PolarHBondContact OD2-NE 2.91Å; D18-R31 IonicContact OD2-NH2 3.51Å; D18-N35 PolarHBondContact OD1-ND2 2.73Å
19D98.4Very high97.7Very high84 Ų8457.1 Ų57.145%0.44932%0.324SS..Hα-helixtrans-64.1-43.4179.8-66.3-37.4000111.7N16 K22 S23N16-D19 PolarHBondContact O-N 3.11Å; D19-K22 PolarHBondContact O-N 2.9Å; D19-S23 WeakPolarHBondContact O-CB 3.36Å; D19-S23 PolarHBondContact O-N 3.38Å
20Y98.7Very high97.6Very high10 Ų1059.8 Ų59.84%0.03934%0.341CS..Hα-helixtrans-59-52.2173.7172.9-98.2000111.3N16 F17 K22 S23 I24 T103 L118 H120 C125N16-Y20 PolarHBondContact O-N 2.82Å; N16-Y20 VanDerWaalsContact O-N 3.14Å; F17-Y20 HydrophobicContact CD2-CD1 4.21Å; F17-Y20 HydrophobicContact CE2-CD1 4.13Å; F17-Y20 PolarHBondContact O-N 2.91Å; Y20-K22 VanDerWaalsContact C-N 3.31Å; Y20-K22 PolarHBondContact O-N 2.85Å; Y20-S23 WeakPolarHBondContact O-CB 3.27Å; Y20-S23 PolarHBondContact O-N 3.24Å; Y20-S23 VanDerWaalsContact O-N 3.09Å; Y20-I24 HydrophobicContact CD1-CD1 4.35Å; Y20-I24 HydrophobicContact CE1-CD1 3.73Å; Y20-I24 HydrophobicContact CE2-CG2 4.27Å; Y20-I24 PolarHBondContact O-N 3.39Å; Y20-I24 VanDerWaalsContact O-N 3.12Å; Y20-T103 WeakPolarHBondContact CE2-OG1 3.35Å; Y20-T103 PolarHBondContact OH-OG1 2.81Å; Y20-L118 HydrophobicContact CD1-CB 4.21Å; Y20-L118 HydrophobicContact CD1-CD1 3.88Å; Y20-L118 HydrophobicContact CD2-CB 3.72Å; Y20-L118 HydrophobicContact CE1-CB 4.17Å; Y20-L118 HydrophobicContact CE1-CD1 3.89Å; Y20-L118 HydrophobicContact CE2-CB 3.68Å; Y20-L118 HydrophobicContact CG-CB 4Å; Y20-L118 HydrophobicContact CG-CD1 4.39Å; Y20-H120 HydrophobicContact CD2-CB 4.09Å; Y20-H120 HydrophobicContact CE2-CB 3.75Å; Y20-C125 HydrophobicContact CG-CB 4.34Å
21M98.3Very high97.5Very high9 Ų956.8 Ų56.84%0.04433%0.328CS..Hα-helixtrans-59.5-41.4179-78-170.2-66.900112F17 D18 S23 I24 G25 V26 R31 A34 N35F17-M21 HydrophobicContact CD1-CE 3.48Å; F17-M21 VanDerWaalsContact CD1-CE 3.48Å; F17-M21 HydrophobicContact CD1-SD 4.03Å; F17-M21 HydrophobicContact CD2-CG 4.25Å; F17-M21 HydrophobicContact CE1-CE 3.65Å; F17-M21 HydrophobicContact CE1-CG 4.23Å; F17-M21 HydrophobicContact CE1-SD 3.57Å; F17-M21 VanDerWaalsContact CE1-SD 3.57Å; F17-M21 HydrophobicContact CE2-CG 3.95Å; F17-M21 HydrophobicContact CE2-SD 4.35Å; F17-M21 HydrophobicContact CG-CE 4.05Å; F17-M21 HydrophobicContact CZ-CE 4.32Å; F17-M21 HydrophobicContact CZ-CG 3.94Å; F17-M21 HydrophobicContact CZ-SD 3.75Å; F17-M21 WeakPolarHBondContact O-CB 3.46Å; F17-M21 WeakPolarHBondContact O-CG 3.41Å; F17-M21 PolarHBondContact O-N 3.47Å; D18-M21 PolarHBondContact O-N 2.82Å; M21-S23 VanDerWaalsContact C-N 3.32Å; M21-S23 PolarHBondContact O-N 2.82Å; M21-I24 VanDerWaalsContact O-CG1 3.22Å; M21-I24 WeakPolarHBondContact O-CG1 3.36Å; M21-I24 PolarHBondContact O-N 2.86Å; M21-G25 PolarHBondContact O-N 2.87Å; M21-V26 HydrophobicContact CB-CB 4Å; M21-V26 HydrophobicContact CB-CG1 4.44Å; M21-V26 HydrophobicContact CB-CG2 4.23Å; M21-V26 VanDerWaalsContact O-CB 3.25Å; M21-V26 WeakPolarHBondContact O-CB 3.39Å; M21-V26 PolarHBondContact O-N 2.85Å; M21-R31 HydrophobicContact CB-CG 3.78Å; M21-R31 HydrophobicContact CE-CB 3.75Å; M21-R31 HydrophobicContact CE-CG 4.03Å; M21-R31 HydrophobicContact SD-CB 4.37Å; M21-R31 HydrophobicContact SD-CG 4.18Å; M21-A34 HydrophobicContact CE-CB 4.01Å; M21-A34 HydrophobicContact SD-CB 3.64Å; M21-N35 VanDerWaalsContact CE-ND2 3.32Å; M21-N35 WeakPolarHBondContact CE-ND2 3.31Å
22K98.2Very high97.4Very high131 Ų13160.8 Ų60.857%0.5735%0.346SS*.Hα-helixtrans-62.5-41.3175.5-177.6-178176.7-1750111.2D18 D19 Y20 I24 G25D18-K22 VanDerWaalsContact O-CB 3.28Å; D18-K22 WeakPolarHBondContact O-CB 3.46Å; D18-K22 PolarHBondContact O-N 2.94Å; D19-K22 PolarHBondContact O-N 2.9Å; Y20-K22 VanDerWaalsContact C-N 3.31Å; Y20-K22 PolarHBondContact O-N 2.85Å; K22-I24 VanDerWaalsContact C-N 3.34Å; K22-I24 PolarHBondContact O-N 2.97Å; K22-G25 PolarHBondContact O-N 2.82Å
23S98.1Very high97.3Very high46 Ų4660.6 Ų60.632%0.32235%0.345SS..Hα-helixtrans-62.5-38.7179.8-171.40000112.5D19 Y20 M21 G25 H120D19-S23 WeakPolarHBondContact O-CB 3.36Å; D19-S23 PolarHBondContact O-N 3.38Å; Y20-S23 WeakPolarHBondContact O-CB 3.27Å; Y20-S23 PolarHBondContact O-N 3.24Å; Y20-S23 VanDerWaalsContact O-N 3.09Å; M21-S23 VanDerWaalsContact C-N 3.32Å; M21-S23 PolarHBondContact O-N 2.82Å; S23-G25 PolarHBondContact O-N 2.88Å; S23-H120 PolarHBondContact O-CE1 2.91Å; S23-H120 PolarHBondContact O-ND1 3.15Å; S23-H120 PolarHBondContact OG-ND1 2.91Å; S23-H120 PolarHBondContact OG-O 3.44Å
24I97.6Very high97.1Very high22 Ų2258 Ų5811%0.11333%0.333CS..THydrogen-bonded Turntrans-83.38.4174.762.3172000113.5Y20 M21 K22 V26 D77 W98 H120Y20-I24 HydrophobicContact CD1-CD1 4.35Å; Y20-I24 HydrophobicContact CE1-CD1 3.73Å; Y20-I24 HydrophobicContact CE2-CG2 4.27Å; Y20-I24 PolarHBondContact O-N 3.39Å; Y20-I24 VanDerWaalsContact O-N 3.12Å; M21-I24 VanDerWaalsContact O-CG1 3.22Å; M21-I24 WeakPolarHBondContact O-CG1 3.36Å; M21-I24 PolarHBondContact O-N 2.86Å; K22-I24 VanDerWaalsContact C-N 3.34Å; K22-I24 PolarHBondContact O-N 2.97Å; I24-V26 HydrophobicContact CD1-CG2 3.98Å; I24-V26 HydrophobicContact CG1-CG2 3.91Å; I24-D77 WeakPolarHBondContact CD1-OD2 3.33Å; I24-W98 HydrophobicContact CG2-CH2 4.44Å; I24-H120 HydrophobicContact CG2-CB 3.69Å; I24-H120 VanDerWaalsContact CG2-CG 3.4Å
25G96.2Very high96.9Very high65 Ų6559.3 Ų59.367%0.6734%0.336SS*.THydrogen-bonded Turntrans86.911.1173.100000116.1M21 K22 S23 G27M21-G25 PolarHBondContact O-N 2.87Å; K22-G25 PolarHBondContact O-N 2.82Å; S23-G25 PolarHBondContact O-N 2.88Å; G25-G27 PolarHBondContact O-N 3.11Å
26V97.3Very high96.7Very high14 Ų1460.7 Ų60.79%0.08535%0.347CS..  trans-67.5128178.8177.90000110.6M21 I24 T30 R31 D77M21-V26 HydrophobicContact CB-CB 4Å; M21-V26 HydrophobicContact CB-CG1 4.44Å; M21-V26 HydrophobicContact CB-CG2 4.23Å; M21-V26 VanDerWaalsContact O-CB 3.25Å; M21-V26 WeakPolarHBondContact O-CB 3.39Å; M21-V26 PolarHBondContact O-N 2.85Å; I24-V26 HydrophobicContact CD1-CG2 3.98Å; I24-V26 HydrophobicContact CG1-CG2 3.91Å; V26-T30 HydrophobicContact CG1-CG2 3.56Å; V26-R31 HydrophobicContact CB-CG 4.06Å; V26-R31 HydrophobicContact CG1-CG 3.65Å; V26-R31 PolarHBondContact O-NH1 2.83Å; V26-D77 HydrophobicContact CG2-CB 3.78Å
27G96.8Very high96.5Very high43 Ų4356.8 Ų56.844%0.44333%0.326SS..  trans-63.4150.7-179.500000114.3G25 A29 T30 R31G25-G27 PolarHBondContact O-N 3.11Å; G27-A29 PolarHBondContact O-N 3.21Å; G27-T30 WeakPolarHBondContact O-CB 3.34Å; G27-T30 PolarHBondContact O-N 2.66Å; G27-T30 VanDerWaalsContact O-N 3.16Å; G27-R31 WeakPolarHBondContact O-CG 3.38Å; G27-R31 PolarHBondContact O-N 3.27Å; G27-R31 VanDerWaalsContact O-N 3.16Å
28F95.2Very high96.3Very high135 Ų13562.7 Ų62.759%0.59235%0.352SS*.Hα-helixtrans-52.7-46.6-171.4175.9-99.6000114.4T30 R31 Q32F28-T30 PolarHBondContact O-N 3.47Å; F28-R31 PolarHBondContact O-N 3.1Å; F28-Q32 HydrophobicContact CD1-CG 4.34Å; F28-Q32 HydrophobicContact CE1-CG 3.89Å; F28-Q32 HydrophobicContact CE2-CG 4.18Å; F28-Q32 HydrophobicContact CZ-CG 3.79Å; F28-Q32 WeakPolarHBondContact O-CG 3.37Å; F28-Q32 PolarHBondContact O-N 2.88Å
29A94.9Very high96.2Very high71 Ų7161 Ų6159%0.58734%0.343SS*.Hα-helixtrans-61.4-44.4-178.900000112.2G27 R31 Q32 V33G27-A29 PolarHBondContact O-N 3.21Å; A29-R31 VanDerWaalsContact C-N 3.3Å; A29-R31 PolarHBondContact O-N 2.85Å; A29-Q32 PolarHBondContact O-N 2.88Å; A29-V33 PolarHBondContact O-N 2.79Å
30T94.9Very high96.2Very high61 Ų6158.8 Ų58.837%0.37433%0.333SS..Hα-helixtrans-60.2-41176.1-55.90000111.2V26 G27 F28 V33 A34 F58V26-T30 HydrophobicContact CG1-CG2 3.56Å; G27-T30 WeakPolarHBondContact O-CB 3.34Å; G27-T30 PolarHBondContact O-N 2.66Å; G27-T30 VanDerWaalsContact O-N 3.16Å; F28-T30 PolarHBondContact O-N 3.47Å; T30-V33 PolarHBondContact O-N 3.24Å; T30-A34 VanDerWaalsContact O-CB 3.27Å; T30-A34 WeakPolarHBondContact O-CB 3.12Å; T30-A34 PolarHBondContact O-N 2.84Å; T30-F58 HydrophobicContact CG2-CE1 3.79Å; T30-F58 HydrophobicContact CG2-CZ 3.98Å
31R97.2Very high96.2Very high28 Ų2858.5 Ų58.511%0.10633%0.332CS..Hα-helixtrans-66-40.1178.9-57.3-161.8-51.3-90.24.1113D18 M21 V26 G27 F28 A29 V33 A34 N35D18-R31 WeakPolarHBondContact OD1-CB 3.3Å; D18-R31 WeakPolarHBondContact OD1-CD 3.37Å; D18-R31 IonicContact OD1-CZ 2.89Å; D18-R31 IonicContact OD1-NE 3.8Å; D18-R31 PolarHBondContact OD1-NE 2.89Å; D18-R31 IonicContact OD2-NE 3.93Å; D18-R31 PolarHBondContact OD2-NE 2.91Å; D18-R31 IonicContact OD2-NH2 3.51Å; M21-R31 HydrophobicContact CB-CG 3.78Å; M21-R31 HydrophobicContact CE-CB 3.75Å; M21-R31 HydrophobicContact CE-CG 4.03Å; M21-R31 HydrophobicContact SD-CB 4.37Å; M21-R31 HydrophobicContact SD-CG 4.18Å; V26-R31 HydrophobicContact CB-CG 4.06Å; V26-R31 HydrophobicContact CG1-CG 3.65Å; V26-R31 PolarHBondContact O-NH1 2.83Å; G27-R31 WeakPolarHBondContact O-CG 3.38Å; G27-R31 PolarHBondContact O-N 3.27Å; G27-R31 VanDerWaalsContact O-N 3.16Å; F28-R31 PolarHBondContact O-N 3.1Å; A29-R31 VanDerWaalsContact C-N 3.3Å; A29-R31 PolarHBondContact O-N 2.85Å; R31-V33 PolarHBondContact O-N 2.87Å; R31-A34 PolarHBondContact O-N 2.81Å; R31-N35 WeakPolarHBondContact O-CB 3.46Å; R31-N35 PolarHBondContact O-N 2.88Å; R31-N35 PolarHBondContact O-ND2 2.98Å
32Q96.1Very high96.2Very high96 Ų9659.6 Ų59.645%0.44934%0.338SS..Hα-helixtrans-58.7-48176.4-71.1-64.4-48.100111F28 A29F28-Q32 HydrophobicContact CD1-CG 4.34Å; F28-Q32 HydrophobicContact CE1-CG 3.89Å; F28-Q32 HydrophobicContact CE2-CG 4.18Å; F28-Q32 HydrophobicContact CZ-CG 3.79Å; F28-Q32 WeakPolarHBondContact O-CG 3.37Å; F28-Q32 PolarHBondContact O-N 2.88Å; A29-Q32 PolarHBondContact O-N 2.88Å
33V95.1Very high96.2Very high56 Ų5653.4 Ų53.434%0.33931%0.311SS..Hα-helixtrans-65.1-47.6178.1-179.20000111.1A29 T30 R31 N35 M36 T37 F58A29-V33 PolarHBondContact O-N 2.79Å; T30-V33 PolarHBondContact O-N 3.24Å; R31-V33 PolarHBondContact O-N 2.87Å; V33-N35 VanDerWaalsContact C-N 3.33Å; V33-N35 PolarHBondContact O-N 3.05Å; V33-M36 PolarHBondContact O-N 2.86Å; V33-M36 VanDerWaalsContact O-N 3.1Å; V33-T37 WeakPolarHBondContact O-CG2 3.36Å; V33-T37 PolarHBondContact O-N 2.76Å; V33-F58 HydrophobicContact CB-CD2 4.5Å; V33-F58 HydrophobicContact CB-CE2 4.44Å; V33-F58 HydrophobicContact CG1-CB 4.18Å; V33-F58 HydrophobicContact CG1-CD1 4.24Å; V33-F58 HydrophobicContact CG1-CD2 3.6Å; V33-F58 HydrophobicContact CG1-CE2 3.99Å; V33-F58 HydrophobicContact CG1-CG 3.74Å; V33-F58 HydrophobicContact CG1-CZ 4.46Å
34A94.9Very high96.2Very high11 Ų1155.1 Ų55.19%0.09131%0.314CS..Hα-helixtrans-61.1-38.2-176.400000113.1F17 M21 T30 R31 M36 T37F17-A34 HydrophobicContact CE1-CB 4.14Å; M21-A34 HydrophobicContact CE-CB 4.01Å; M21-A34 HydrophobicContact SD-CB 3.64Å; T30-A34 VanDerWaalsContact O-CB 3.27Å; T30-A34 WeakPolarHBondContact O-CB 3.12Å; T30-A34 PolarHBondContact O-N 2.84Å; R31-A34 PolarHBondContact O-N 2.81Å; A34-M36 PolarHBondContact O-N 3.11Å; A34-T37 PolarHBondContact O-N 2.59Å; A34-T37 VanDerWaalsContact O-N 3.13Å; A34-T37 PolarHBondContact O-OG1 3.34Å
35N94.9Very high96.2Very high67 Ų6758.5 Ų58.536%0.35833%0.328SS..Hα-helixtrans-65.2-24.8177.4-82.3-63.9000113.6D18 M21 R31 V33D18-N35 PolarHBondContact OD1-ND2 2.73Å; M21-N35 VanDerWaalsContact CE-ND2 3.32Å; M21-N35 WeakPolarHBondContact CE-ND2 3.31Å; R31-N35 WeakPolarHBondContact O-CB 3.46Å; R31-N35 PolarHBondContact O-N 2.88Å; R31-N35 PolarHBondContact O-ND2 2.98Å; V33-N35 VanDerWaalsContact C-N 3.33Å; V33-N35 PolarHBondContact O-N 3.05Å
36M93.8Very high96.2Very high154 Ų15461.8 Ų61.876%0.75933%0.33SS*.Hα-helixtrans-84.5-12.6176-59.1-172.2-49.100113V33 A34V33-M36 PolarHBondContact O-N 2.86Å; V33-M36 VanDerWaalsContact O-N 3.1Å; A34-M36 PolarHBondContact O-N 3.11Å
37T93.2Very high96.2Very high14 Ų1463.9 Ų63.99%0.08635%0.354CS..  trans-83.3144.6-178.669.10000112.3V33 A34 P39 F58V33-T37 WeakPolarHBondContact O-CG2 3.36Å; V33-T37 PolarHBondContact O-N 2.76Å; A34-T37 PolarHBondContact O-N 2.59Å; A34-T37 VanDerWaalsContact O-N 3.13Å; A34-T37 PolarHBondContact O-OG1 3.34Å; T37-P39 WeakPolarHBondContact O-CD 3.44Å; T37-F58 HydrophobicContact CG2-CB 3.85Å
38K95Very high96.1Very high156 Ų15666.5 Ų66.568%0.67836%0.358SS*.  trans-114.883.6170-64.3-171.6179.4-172.40109.1L11L11-K38 HydrophobicContact CB-CB 4.4Å; L11-K38 HydrophobicContact CD2-CG 4.41Å
39P96.4Very high96.2Very high9 Ų963.3 Ų63.36%0.05835%0.346CS..PPolyproline II helixtrans-62.2150.1-179.923.1-35.1000112.7L11 T37 T54 H55 Y129L11-P39 HydrophobicContact CB-CG 4.41Å; L11-P39 PolarHBondContact N-O 2.98Å; L11-P39 VanDerWaalsContact N-O 3.11Å; T37-P39 WeakPolarHBondContact O-CD 3.44Å; P39-T54 HydrophobicContact CB-CG2 3.83Å; P39-H55 CarbonylContact C-O 3.59Å; P39-H55 WeakPolarHBondContact CA-O 3.29Å; P39-H55 WeakPolarHBondContact CB-O 3.4Å; P39-Y129 HydrophobicContact CG-CE1 4.44Å
40T98.1Very high96.4Very high37 Ų3760.1 Ų60.123%0.22732%0.319CS..EExtended strand (participates in β ladder)trans-99.4124.8165.4-60.50000108.5T8 W9 I42 T54 H55T8-T40 HydrophobicContact CG2-CG2 3.29Å; W9-T40 CarbonylContact O-C 3.6Å; W9-T40 VanDerWaalsContact O-CA 3.31Å; W9-T40 WeakPolarHBondContact O-CA 3.48Å; T40-I42 HydrophobicContact CG2-CG1 4.26Å; T40-T54 WeakPolarHBondContact O-CA 2.86Å; T40-H55 PolarHBondContact N-O 2.97Å; T40-H55 PolarHBondContact O-N 2.64Å
41T98.3Very high96.5Very high3 Ų358 Ų582%0.01831%0.306CS..EExtended strand (participates in β ladder)trans-104129.6174.1-66.60000109.4T8 W9 I43 L52 K53T8-T41 CarbonylContact C-O 3.55Å; W9-T41 WeakPolarHBondContact CB-O 3.43Å; W9-T41 PolarHBondContact N-O 2.94Å; W9-T41 PolarHBondContact O-N 2.73Å; T41-I43 HydrophobicContact CG2-CD1 4.45Å; T41-I43 HydrophobicContact CG2-CG1 4.07Å; T41-L52 HydrophobicContact CG2-CD2 4.29Å; T41-L52 HydrophobicContact CG2-CG 4.37Å; T41-K53 CarbonylContact C-O 3.6Å; T41-K53 VanDerWaalsContact CA-O 3.25Å; T41-K53 WeakPolarHBondContact CA-O 3.46Å
42I98.6Very high96.6Very high32 Ų3257 Ų5716%0.16430%0.303CS..EExtended strand (participates in β ladder)trans-117.5127.6177.8-47.7172.9000107.5G7 T8 T40 E44 L52 K53G7-I42 WeakPolarHBondContact O-CA 3.31Å; T8-I42 HydrophobicContact CG2-CG1 4.11Å; T40-I42 HydrophobicContact CG2-CG1 4.26Å; I42-E44 HydrophobicContact CG2-CG 3.87Å; I42-L52 WeakPolarHBondContact O-CA 3.49Å; I42-K53 HydrophobicContact CB-CB 4.18Å; I42-K53 PolarHBondContact N-O 2.79Å; I42-K53 PolarHBondContact O-N 2.85Å
43I98.3Very high96.7Very high2 Ų254.4 Ų54.41%0.0129%0.29CS..EExtended strand (participates in β ladder)trans-119.2116.9177.6-50.4177.5000107.9F5 L6 G7 T41 T51 L52 L114F5-I43 HydrophobicContact CB-CD1 4.17Å; L6-I43 WeakPolarHBondContact CA-O 3.35Å; L6-I43 HydrophobicContact CD2-CG2 3.93Å; G7-I43 PolarHBondContact N-O 2.76Å; G7-I43 PolarHBondContact O-N 3.32Å; T41-I43 HydrophobicContact CG2-CD1 4.45Å; T41-I43 HydrophobicContact CG2-CG1 4.07Å; I43-T51 WeakPolarHBondContact CA-O 3.31Å; I43-L52 HydrophobicContact CG1-CG 4.39Å; I43-L114 HydrophobicContact CD1-CD2 4.4Å
44E98.1Very high96.8Very high82 Ų8253.3 Ų53.338%0.38328%0.284SS..EExtended strand (participates in β ladder)trans-122.5157.5-177-59.1173.9141.200109.7I42 L50 T51 K53I42-E44 HydrophobicContact CG2-CG 3.87Å; E44-L50 CarbonylContact O-C 3.54Å; E44-L50 WeakPolarHBondContact O-CA 3.44Å; E44-T51 PolarHBondContact N-O 2.9Å; E44-T51 PolarHBondContact O-N 3.02Å; E44-K53 IonicContact OE1-NZ 3.12Å; E44-K53 WeakPolarHBondContact OE2-CE 3.36Å; E44-K53 IonicContact OE2-NZ 2.73Å; E44-K53 PolarHBondContact OE2-NZ 2.92Å
45K97.1Very high96.9Very high93 Ų9356.2 Ų56.240%0.40430%0.295SS..EExtended strand (participates in β ladder)trans-136.4130.1178.6-177.4176.9164.8-170.80109.7V2 D3 L6 G47 I49 L50V2-K45 HydrophobicContact CG1-CD 4.06Å; D3-K45 IonicContact OD1-NZ 3.25Å; D3-K45 PolarHBondContact OD1-NZ 3.37Å; D3-K45 IonicContact OD2-NZ 3.52Å; L6-K45 HydrophobicContact CD1-CB 3.94Å; L6-K45 HydrophobicContact CD1-CD 4.39Å; L6-K45 HydrophobicContact CD2-CB 3.84Å; K45-G47 WeakPolarHBondContact CE-O 3.3Å; K45-I49 CarbonylContact C-O 3.51Å; K45-I49 WeakPolarHBondContact CA-O 3.17Å; K45-L50 HydrophobicContact CB-CD2 3.81Å; K45-L50 HydrophobicContact CD-CD2 4.27Å; K45-L50 HydrophobicContact CG-CD2 4.03Å
46N96.8Very high96.8Very high134 Ų13454.3 Ų54.372%0.71729%0.287SS*.EExtended strand (participates in β ladder)trans-128.3102.4171.3-174.35.8000109D48 I49N46-D48 PolarHBondContact O-N 2.82Å; N46-I49 PolarHBondContact N-O 3.15Å; N46-I49 PolarHBondContact O-N 3.43Å; N46-I49 VanDerWaalsContact O-N 3.11Å
47G95.6Very high96.6Very high57 Ų5753.9 Ų53.959%0.58829%0.293SS*.THydrogen-bonded Turntrans63-116.2-17100000111.6K45K45-G47 WeakPolarHBondContact CE-O 3.3Å
48D95.2Very high96.4Very high98 Ų9857 Ų5752%0.52431%0.306SS..THydrogen-bonded Turntrans-97.2-3.7178.564.2-17.5000113.8N46 K66N46-D48 PolarHBondContact O-N 2.82Å; D48-K66 VanDerWaalsContact CG-CE 3.5Å; D48-K66 WeakPolarHBondContact OD1-CE 3.26Å; D48-K66 IonicContact OD1-NZ 2.73Å; D48-K66 PolarHBondContact OD1-NZ 3.23Å; D48-K66 WeakPolarHBondContact OD2-CD 3.45Å; D48-K66 WeakPolarHBondContact OD2-CE 3.36Å; D48-K66 IonicContact OD2-NZ 3.92Å; D48-K66 PolarHBondContact OD2-NZ 3.27Å
49I97.7Very high96Very high68 Ų6853.5 Ų53.535%0.34929%0.291SS..EExtended strand (participates in β ladder)trans-93.8129.1178.3-58176.5000109.5K45 N46 N64 K66K45-I49 CarbonylContact C-O 3.51Å; K45-I49 WeakPolarHBondContact CA-O 3.17Å; N46-I49 PolarHBondContact N-O 3.15Å; N46-I49 PolarHBondContact O-N 3.43Å; N46-I49 VanDerWaalsContact O-N 3.11Å; I49-N64 HydrophobicContact CG2-CB 4.33Å; I49-K66 HydrophobicContact CG1-CG 4.17Å
50L98.3Very high96Very high4 Ų458 Ų582%0.02131%0.314CS..EExtended strand (participates in β ladder)trans-102137.7169.2-71.7162.5000109.7V2 L6 E44 K45 N64 F65 L67V2-L50 HydrophobicContact CG1-CD2 4.22Å; V2-L50 HydrophobicContact CG2-CD1 3.84Å; V2-L50 HydrophobicContact CG2-CD2 3.95Å; L6-L50 HydrophobicContact CD2-CD2 4.12Å; E44-L50 CarbonylContact O-C 3.54Å; E44-L50 WeakPolarHBondContact O-CA 3.44Å; K45-L50 HydrophobicContact CB-CD2 3.81Å; K45-L50 HydrophobicContact CD-CD2 4.27Å; K45-L50 HydrophobicContact CG-CD2 4.03Å; L50-N64 CarbonylContact O-C 3.47Å; L50-N64 WeakPolarHBondContact O-CA 3.42Å; L50-F65 HydrophobicContact CB-CD2 4.11Å; L50-F65 HydrophobicContact CB-CE1 4.19Å; L50-F65 HydrophobicContact CB-CE2 3.64Å; L50-F65 HydrophobicContact CB-CZ 3.68Å; L50-F65 HydrophobicContact CD1-CD2 4.37Å; L50-F65 HydrophobicContact CD1-CE2 3.59Å; L50-F65 HydrophobicContact CD1-CZ 4.14Å; L50-F65 HydrophobicContact CG-CE2 4.26Å; L50-F65 PolarHBondContact N-O 2.83Å; L50-F65 PolarHBondContact O-N 2.78Å; L50-L67 HydrophobicContact CD1-CD1 4.08Å; L50-L67 HydrophobicContact CD1-CD2 3.66Å; L50-L67 HydrophobicContact CD1-CG 3.67Å
51T98.5Very high95.9Very high17 Ų1758.1 Ų58.110%0.10432%0.315CS..EExtended strand (participates in β ladder)trans-113.5125.9172.7-51.60000108.4I43 E44 K53 E62 I63 N64I43-T51 WeakPolarHBondContact CA-O 3.31Å; E44-T51 PolarHBondContact N-O 2.9Å; E44-T51 PolarHBondContact O-N 3.02Å; T51-K53 HydrophobicContact CG2-CG 4.07Å; T51-E62 HydrophobicContact CG2-CG 3.87Å; T51-I63 CarbonylContact C-O 3.57Å; T51-I63 WeakPolarHBondContact CA-O 3.4Å; T51-N64 WeakPolarHBondContact CB-OD1 3.16Å; T51-N64 VanDerWaalsContact CG2-OD1 3.26Å; T51-N64 WeakPolarHBondContact CG2-OD1 3.26Å; T51-N64 PolarHBondContact OG1-OD1 3.49Å
52L98.4Very high95.9Very high8 Ų863.2 Ų63.24%0.04234%0.338CS..EExtended strand (participates in β ladder)trans-117.3112.4174.3-170.3159000109T41 I42 I43 E62 I63 F65T41-L52 HydrophobicContact CG2-CD2 4.29Å; T41-L52 HydrophobicContact CG2-CG 4.37Å; I42-L52 WeakPolarHBondContact O-CA 3.49Å; I43-L52 HydrophobicContact CG1-CG 4.39Å; L52-E62 WeakPolarHBondContact O-CA 3.48Å; L52-I63 HydrophobicContact CB-CD1 4.24Å; L52-I63 HydrophobicContact CB-CG1 3.81Å; L52-I63 PolarHBondContact N-O 2.9Å; L52-I63 PolarHBondContact O-N 2.86Å; L52-F65 HydrophobicContact CB-CE1 3.96Å
53K98.4Very high95.8Very high41 Ų4162.5 Ų62.518%0.17834%0.335CS..EExtended strand (participates in β ladder)trans-104138.3176-56.4172.1-178.11580109.1T41 I42 E44 T51 T61 E62T41-K53 CarbonylContact C-O 3.6Å; T41-K53 VanDerWaalsContact CA-O 3.25Å; T41-K53 WeakPolarHBondContact CA-O 3.46Å; I42-K53 HydrophobicContact CB-CB 4.18Å; I42-K53 PolarHBondContact N-O 2.79Å; I42-K53 PolarHBondContact O-N 2.85Å; E44-K53 IonicContact OE1-NZ 3.12Å; E44-K53 WeakPolarHBondContact OE2-CE 3.36Å; E44-K53 IonicContact OE2-NZ 2.73Å; E44-K53 PolarHBondContact OE2-NZ 2.92Å; T51-K53 HydrophobicContact CG2-CG 4.07Å; K53-T61 CarbonylContact C-O 3.49Å; K53-T61 WeakPolarHBondContact CA-O 3.29Å; K53-E62 WeakPolarHBondContact CE-OE2 3.45Å; K53-E62 HydrophobicContact CG-CB 4.29Å; K53-E62 HydrophobicContact CG-CG 3.89Å
54T97.6Very high95.8Very high32 Ų3266.3 Ų66.320%0.19636%0.355CS..EExtended strand (participates in β ladder)trans-124.4116.6168.7-58.30000107.7P39 T40 N60 T61P39-T54 HydrophobicContact CB-CG2 3.83Å; T40-T54 WeakPolarHBondContact O-CA 2.86Å; T54-N60 CarbonylContact O-C 3.58Å; T54-N60 VanDerWaalsContact O-CA 3.26Å; T54-N60 WeakPolarHBondContact O-CA 3.25Å; T54-T61 PolarHBondContact N-O 2.85Å; T54-T61 PolarHBondContact O-N 2.9Å
55H96.7Very high95.8Very high73 Ų7362.8 Ų62.834%0.33834%0.339SS..EExtended strand (participates in β ladder)trans-111133.1-179.6-69.6-62.5000111.1P39 T40 N60P39-H55 CarbonylContact C-O 3.59Å; P39-H55 WeakPolarHBondContact CA-O 3.29Å; P39-H55 WeakPolarHBondContact CB-O 3.4Å; T40-H55 PolarHBondContact N-O 2.97Å; T40-H55 PolarHBondContact O-N 2.64Å; H55-N60 WeakPolarHBondContact CA-OD1 3.11Å; H55-N60 PolarHBondContact ND1-OD1 2.95Å
56S93.5Very high95.9Very high27 Ų2762.5 Ų62.519%0.18934%0.337CS..  trans-147170.417172.60000110.4F58 K59 N60S56-F58 PolarHBondContact O-N 3.27Å; S56-F58 PolarHBondContact OG-N 2.71Å; S56-K59 PolarHBondContact N-O 3.21Å; S56-K59 PolarHBondContact OG-N 3.2Å; S56-K59 PolarHBondContact OG-O 3.09Å; S56-N60 PolarHBondContact N-OD1 3.14Å; S56-N60 PolarHBondContact O-OD1 3.47Å
57T88.8Confident96Very high144 Ų14459.2 Ų59.288%0.88332%0.319SS*.SBendtrans-68.3-6.917251.30000113.5
58F88.4Confident96.1Very high80 Ų8058.7 Ų58.735%0.35132%0.315SS..SBendtrans-111.8-57.4-175.6-179.6-125.7000112.9T30 V33 T37 S56T30-F58 HydrophobicContact CG2-CE1 3.79Å; T30-F58 HydrophobicContact CG2-CZ 3.98Å; V33-F58 HydrophobicContact CB-CD2 4.5Å; V33-F58 HydrophobicContact CB-CE2 4.44Å; V33-F58 HydrophobicContact CG1-CB 4.18Å; V33-F58 HydrophobicContact CG1-CD1 4.24Å; V33-F58 HydrophobicContact CG1-CD2 3.6Å; V33-F58 HydrophobicContact CG1-CE2 3.99Å; V33-F58 HydrophobicContact CG1-CG 3.74Å; V33-F58 HydrophobicContact CG1-CZ 4.46Å; T37-F58 HydrophobicContact CG2-CB 3.85Å; S56-F58 PolarHBondContact O-N 3.27Å; S56-F58 PolarHBondContact OG-N 2.71Å
59K88.4Confident96.2Very high83 Ų8357.9 Ų57.936%0.36131%0.313SS..  trans-135.9145.2-178.8-72.2-77.5-169.9155.50110.2S56 D78S56-K59 PolarHBondContact N-O 3.21Å; S56-K59 PolarHBondContact OG-N 3.2Å; S56-K59 PolarHBondContact OG-O 3.09Å; K59-D78 IonicContact NZ-OD2 3.41Å
60N94.7Very high96.3Very high103 Ų10360.1 Ų60.155%0.55132%0.322SS*.  trans-122.6137.8174.5-62.4-41.4000109T54 H55 S56T54-N60 CarbonylContact O-C 3.58Å; T54-N60 VanDerWaalsContact O-CA 3.26Å; T54-N60 WeakPolarHBondContact O-CA 3.25Å; H55-N60 WeakPolarHBondContact CA-OD1 3.11Å; H55-N60 PolarHBondContact ND1-OD1 2.95Å; S56-N60 PolarHBondContact N-OD1 3.14Å; S56-N60 PolarHBondContact O-OD1 3.47Å
61T96.5Very high96.3Very high40 Ų4061.5 Ų61.525%0.24533%0.328CS..EExtended strand (participates in β ladder)trans-135.4148.5175.259.50000110.2K53 T54 A76K53-T61 CarbonylContact C-O 3.49Å; K53-T61 WeakPolarHBondContact CA-O 3.29Å; T54-T61 PolarHBondContact N-O 2.85Å; T54-T61 PolarHBondContact O-N 2.9Å; T61-A76 HydrophobicContact CG2-CB 3.69Å
62E97.8Very high96.3Very high109 Ų10966.4 Ų66.451%0.50935%0.353SS..EExtended strand (participates in β ladder)trans-138.6130.9172.4179.6174.4135.900108.9T51 L52 K53 N64T51-E62 HydrophobicContact CG2-CG 3.87Å; L52-E62 WeakPolarHBondContact O-CA 3.48Å; K53-E62 WeakPolarHBondContact CE-OE2 3.45Å; K53-E62 HydrophobicContact CG-CB 4.29Å; K53-E62 HydrophobicContact CG-CG 3.89Å; E62-N64 PolarHBondContact OE1-ND2 3.36Å
63I98.1Very high96.3Very high17 Ų1767 Ų679%0.08736%0.356CS..EExtended strand (participates in β ladder)trans-126.3142.7172.758.9171.6000109.6T51 L52 F65 F71 E73T51-I63 CarbonylContact C-O 3.57Å; T51-I63 WeakPolarHBondContact CA-O 3.4Å; L52-I63 HydrophobicContact CB-CD1 4.24Å; L52-I63 HydrophobicContact CB-CG1 3.81Å; L52-I63 PolarHBondContact N-O 2.9Å; L52-I63 PolarHBondContact O-N 2.86Å; I63-F65 HydrophobicContact CD1-CD1 3.89Å; I63-F65 HydrophobicContact CD1-CE1 3.85Å; I63-F65 HydrophobicContact CG1-CD1 3.96Å; I63-F65 HydrophobicContact CG1-CE1 4.01Å; I63-F71 HydrophobicContact CB-CE2 4.2Å; I63-F71 HydrophobicContact CD1-CE2 4.36Å; I63-F71 HydrophobicContact CD1-CZ 4.14Å; I63-F71 HydrophobicContact CG2-CE2 4.38Å; I63-E73 HydrophobicContact CG2-CG 3.85Å
64N98.1Very high96.2Very high82 Ų8269.2 Ų69.244%0.43937%0.373SS..EExtended strand (participates in β ladder)trans-121.9123.4176.4-69.4-78.1000108I49 L50 T51 E62I49-N64 HydrophobicContact CG2-CB 4.33Å; L50-N64 CarbonylContact O-C 3.47Å; L50-N64 WeakPolarHBondContact O-CA 3.42Å; T51-N64 WeakPolarHBondContact CB-OD1 3.16Å; T51-N64 VanDerWaalsContact CG2-OD1 3.26Å; T51-N64 WeakPolarHBondContact CG2-OD1 3.26Å; T51-N64 PolarHBondContact OG1-OD1 3.49Å; E62-N64 PolarHBondContact OE1-ND2 3.36Å
65F98.3Very high96.2Very high8 Ų868 Ų684%0.03537%0.366CS..EExtended strand (participates in β ladder)trans-148.6157.7-172.559.8-90.2000112.3L50 L52 I63 L67 F71 V85L50-F65 HydrophobicContact CB-CD2 4.11Å; L50-F65 HydrophobicContact CB-CE1 4.19Å; L50-F65 HydrophobicContact CB-CE2 3.64Å; L50-F65 HydrophobicContact CB-CZ 3.68Å; L50-F65 HydrophobicContact CD1-CD2 4.37Å; L50-F65 HydrophobicContact CD1-CE2 3.59Å; L50-F65 HydrophobicContact CD1-CZ 4.14Å; L50-F65 HydrophobicContact CG-CE2 4.26Å; L50-F65 PolarHBondContact N-O 2.83Å; L50-F65 PolarHBondContact O-N 2.78Å; L52-F65 HydrophobicContact CB-CE1 3.96Å; I63-F65 HydrophobicContact CD1-CD1 3.89Å; I63-F65 HydrophobicContact CD1-CE1 3.85Å; I63-F65 HydrophobicContact CG1-CD1 3.96Å; I63-F65 HydrophobicContact CG1-CE1 4.01Å; F65-L67 HydrophobicContact CE2-CD2 4.16Å; F65-F71 HydrophobicContact CB-CD1 3.7Å; F65-F71 HydrophobicContact CB-CE1 3.48Å; F65-F71 VanDerWaalsContact CB-CE1 3.48Å; F65-F71 HydrophobicContact CB-CE2 4.41Å; F65-F71 HydrophobicContact CB-CG 4.28Å; F65-F71 HydrophobicContact CB-CZ 3.87Å; F65-F71 HydrophobicContact CD1-CZ 4.25Å; F65-F71 HydrophobicContact CG-CE1 4.06Å; F65-F71 HydrophobicContact CG-CZ 4.22Å; F65-V85 HydrophobicContact CD1-CG2 4.28Å; F65-V85 HydrophobicContact CD2-CB 3.61Å; F65-V85 HydrophobicContact CD2-CG1 4.24Å; F65-V85 HydrophobicContact CD2-CG2 3.72Å; F65-V85 HydrophobicContact CE1-CG2 4.21Å; F65-V85 HydrophobicContact CE2-CB 3.42Å; F65-V85 VanDerWaalsContact CE2-CB 3.42Å; F65-V85 HydrophobicContact CE2-CG1 3.53Å; F65-V85 HydrophobicContact CE2-CG2 3.64Å; F65-V85 HydrophobicContact CG-CB 4.41Å; F65-V85 HydrophobicContact CG-CG2 4.05Å; F65-V85 HydrophobicContact CZ-CB 4.11Å; F65-V85 HydrophobicContact CZ-CG1 3.99Å; F65-V85 HydrophobicContact CZ-CG2 3.9Å
66K98.3Very high96Very high87 Ų8766.9 Ų66.938%0.37837%0.369SS..EExtended strand (participates in β ladder)trans-103.7142.1166.3-62.7-171.6179.9-166.80108.7D48 I49 G68 V69D48-K66 VanDerWaalsContact CG-CE 3.5Å; D48-K66 WeakPolarHBondContact OD1-CE 3.26Å; D48-K66 IonicContact OD1-NZ 2.73Å; D48-K66 PolarHBondContact OD1-NZ 3.23Å; D48-K66 WeakPolarHBondContact OD2-CD 3.45Å; D48-K66 WeakPolarHBondContact OD2-CE 3.36Å; D48-K66 IonicContact OD2-NZ 3.92Å; D48-K66 PolarHBondContact OD2-NZ 3.27Å; I49-K66 HydrophobicContact CG1-CG 4.17Å; K66-G68 PolarHBondContact O-N 2.9Å; K66-V69 HydrophobicContact CB-CB 4.14Å; K66-V69 HydrophobicContact CB-CG2 3.91Å; K66-V69 PolarHBondContact O-N 3.3Å
67L97.9Very high96Very high65 Ų6567.8 Ų67.834%0.3437%0.371SS..THydrogen-bonded Turntrans-60.9133.5177.3-67.6175.4000110.5V2 L50 F65 V69 V85 L87 L92V2-L67 HydrophobicContact CB-CD1 4.46Å; L50-L67 HydrophobicContact CD1-CD1 4.08Å; L50-L67 HydrophobicContact CD1-CD2 3.66Å; L50-L67 HydrophobicContact CD1-CG 3.67Å; F65-L67 HydrophobicContact CE2-CD2 4.16Å; L67-V69 VanDerWaalsContact C-N 3.26Å; L67-V69 PolarHBondContact O-N 2.82Å; L67-V85 CarbonylContact C-O 3.53Å; L67-V85 WeakPolarHBondContact CA-O 3.12Å; L67-V85 HydrophobicContact CD2-CB 4.36Å; L67-V85 HydrophobicContact CD2-CG1 3.97Å; L67-L87 HydrophobicContact CD1-CB 4.37Å; L67-L92 HydrophobicContact CD2-CD1 3.76Å
68G98.2Very high96.3Very high47 Ų4766.3 Ų66.349%0.48536%0.358SS..THydrogen-bonded Turntrans76.44.6179.200000115.3K66 V85K66-G68 PolarHBondContact O-N 2.9Å; G68-V85 PolarHBondContact N-O 2.93Å
69V98.6Very high96.7Very high81 Ų8163.9 Ų63.949%0.49135%0.347SS..  trans-111.4129.2178.3-175.60000109.4K66 L67K66-V69 HydrophobicContact CB-CB 4.14Å; K66-V69 HydrophobicContact CB-CG2 3.91Å; K66-V69 PolarHBondContact O-N 3.3Å; L67-V69 VanDerWaalsContact C-N 3.26Å; L67-V69 PolarHBondContact O-N 2.82Å
70E98.6Very high97.2Very high115 Ų11568.4 Ų68.454%0.53737%0.366SS..  trans-72.2144.3177.1-168.5177.7-105.700111.4K82 S83E70-K82 HydrophobicContact CG-CB 4.29Å; E70-K82 HydrophobicContact CG-CD 4.41Å; E70-S83 CarbonylContact C-O 3.59Å; E70-S83 VanDerWaalsContact CA-O 3.26Å; E70-S83 WeakPolarHBondContact CA-O 3.44Å
71F98.6Very high97.4Very high32 Ų3263.7 Ų63.714%0.1434%0.341CS..EExtended strand (participates in β ladder)trans-145.2159.3178.363.4-79.2000111.7I63 F65 E73 S83 V85I63-F71 HydrophobicContact CB-CE2 4.2Å; I63-F71 HydrophobicContact CD1-CE2 4.36Å; I63-F71 HydrophobicContact CD1-CZ 4.14Å; I63-F71 HydrophobicContact CG2-CE2 4.38Å; F65-F71 HydrophobicContact CB-CD1 3.7Å; F65-F71 HydrophobicContact CB-CE1 3.48Å; F65-F71 VanDerWaalsContact CB-CE1 3.48Å; F65-F71 HydrophobicContact CB-CE2 4.41Å; F65-F71 HydrophobicContact CB-CG 4.28Å; F65-F71 HydrophobicContact CB-CZ 3.87Å; F65-F71 HydrophobicContact CD1-CZ 4.25Å; F65-F71 HydrophobicContact CG-CE1 4.06Å; F65-F71 HydrophobicContact CG-CZ 4.22Å; F71-E73 HydrophobicContact CD2-CB 4.29Å; F71-E73 HydrophobicContact CE2-CB 3.93Å; F71-S83 WeakPolarHBondContact CD1-O 3.45Å; F71-S83 WeakPolarHBondContact CE1-O 3.36Å; F71-S83 PolarHBondContact N-O 3.28Å; F71-S83 PolarHBondContact O-N 3.01Å; F71-V85 HydrophobicContact CE1-CG2 4.07Å; F71-V85 HydrophobicContact CZ-CG2 4.26Å
72D98.4Very high97.5Very high120 Ų12065.9 Ų65.964%0.64235%0.347SS*.EExtended strand (participates in β ladder)trans-81.7133.5171.5-71.7-66.1000110.6K82D72-K82 WeakPolarHBondContact OD1-CD 3.32Å; D72-K82 WeakPolarHBondContact OD1-CE 3.49Å; D72-K82 IonicContact OD1-NZ 2.82Å; D72-K82 PolarHBondContact OD1-NZ 3.02Å; D72-K82 IonicContact OD2-NZ 3.53Å; D72-K82 PolarHBondContact OD2-NZ 2.85Å
73E98.3Very high97.5Very high21 Ų2160.7 Ų60.710%0.09832%0.323CS..EExtended strand (participates in β ladder)trans-131.6137.5179175.3-179.2-175.300110.3I63 F71 T75 V81 S83 H94 Q96I63-E73 HydrophobicContact CG2-CG 3.85Å; F71-E73 HydrophobicContact CD2-CB 4.29Å; F71-E73 HydrophobicContact CE2-CB 3.93Å; E73-T75 HydrophobicContact CG-CG2 4.32Å; E73-V81 HydrophobicContact CB-CG2 3.73Å; E73-V81 HydrophobicContact CG-CG2 4.14Å; E73-V81 PolarHBondContact N-O 2.55Å; E73-V81 PolarHBondContact O-N 3.07Å; E73-S83 VanDerWaalsContact OE2-CB 3.31Å; E73-S83 WeakPolarHBondContact OE2-CB 3.35Å; E73-S83 PolarHBondContact OE2-OG 2.71Å; E73-H94 IonicContact OE1-CE1 3.47Å; E73-H94 IonicContact OE2-CE1 2.59Å; E73-H94 PolarHBondContact OE2-CE1 3.37Å; E73-H94 IonicContact OE2-NE2 2.66Å; E73-H94 PolarHBondContact OE2-NE2 2.96Å; E73-Q96 VanDerWaalsContact CD-NE2 3.28Å; E73-Q96 PolarHBondContact OE1-NE2 3.32Å; E73-Q96 VanDerWaalsContact OE1-NE2 3.07Å; E73-Q96 PolarHBondContact OE2-NE2 3.1Å
74T97.5Very high97.5Very high87 Ų8762.1 Ų62.153%0.53433%0.33SS..EExtended strand (participates in β ladder)trans-103.5116.4163.6-57.70000107.9R79T74-R79 WeakPolarHBondContact CA-O 3.31Å
75T96.4Very high97.6Very high8 Ų858.2 Ų58.25%0.04931%0.31CS..  trans-78.4167.9-175.264.40000111.9E73 D77 D78 R79 V81E73-T75 HydrophobicContact CG-CG2 4.32Å; T75-D77 WeakPolarHBondContact CB-OD1 3.35Å; T75-D77 PolarHBondContact O-N 2.85Å; T75-D77 VanDerWaalsContact O-N 3.15Å; T75-D77 PolarHBondContact OG1-OD1 3.06Å; T75-D78 PolarHBondContact O-N 3.22Å; T75-R79 HydrophobicContact CG2-CB 4.5Å; T75-R79 PolarHBondContact N-O 3.36Å; T75-R79 WeakPolarHBondContact OG1-CB 3.42Å; T75-R79 PolarHBondContact OG1-N 3.02Å; T75-R79 VanDerWaalsContact OG1-N 3.15Å; T75-R79 PolarHBondContact OG1-O 2.74Å; T75-V81 HydrophobicContact CG2-CG1 4.05Å; T75-V81 HydrophobicContact CG2-CG2 3.94Å
76A93.7Very high97.6Very high48 Ų4860.2 Ų60.240%0.39732%0.322SS..THydrogen-bonded Turntrans-61.1-23.4179.600000114T61T61-A76 HydrophobicContact CG2-CB 3.69Å
77D93.6Very high97.5Very high46 Ų4659.1 Ų59.125%0.24632%0.32CS..THydrogen-bonded Turntrans-96.419174.362.8-45.5000113.3I24 V26 T75 R79I24-D77 WeakPolarHBondContact CD1-OD2 3.33Å; V26-D77 HydrophobicContact CG2-CB 3.78Å; T75-D77 WeakPolarHBondContact CB-OD1 3.35Å; T75-D77 PolarHBondContact O-N 2.85Å; T75-D77 VanDerWaalsContact O-N 3.15Å; T75-D77 PolarHBondContact OG1-OD1 3.06Å; D77-R79 VanDerWaalsContact C-N 3.27Å; D77-R79 PolarHBondContact O-N 2.79Å; D77-R79 IonicContact OD1-CZ 3.86Å; D77-R79 IonicContact OD1-NE 3.76Å; D77-R79 IonicContact OD1-NH2 2.71Å; D77-R79 PolarHBondContact OD1-NH2 2.85Å; D77-R79 VanDerWaalsContact OD1-NH2 3.12Å; D77-R79 IonicContact OD2-CZ 3.15Å; D77-R79 IonicContact OD2-NE 2.93Å; D77-R79 PolarHBondContact OD2-NE 2.88Å; D77-R79 IonicContact OD2-NH2 2.71Å; D77-R79 PolarHBondContact OD2-NH2 3.06Å
78D94.8Very high97.3Very high113 Ų11361.2 Ų61.260%0.60433%0.332SS*.  trans67.115.8170.2-54.9-54.1000115.5K59 T75K59-D78 IonicContact NZ-OD2 3.41Å; T75-D78 PolarHBondContact O-N 3.22Å
79R96.7Very high97.1Very high29 Ų2962.6 Ų62.611%0.10935%0.346CS..  trans-73.7138.8170.2-65.5179.7-74.2116.815110.1T74 T75 D77 V81 W98T74-R79 WeakPolarHBondContact CA-O 3.31Å; T75-R79 HydrophobicContact CG2-CB 4.5Å; T75-R79 PolarHBondContact N-O 3.36Å; T75-R79 WeakPolarHBondContact OG1-CB 3.42Å; T75-R79 PolarHBondContact OG1-N 3.02Å; T75-R79 VanDerWaalsContact OG1-N 3.15Å; T75-R79 PolarHBondContact OG1-O 2.74Å; D77-R79 VanDerWaalsContact C-N 3.27Å; D77-R79 PolarHBondContact O-N 2.79Å; D77-R79 IonicContact OD1-CZ 3.86Å; D77-R79 IonicContact OD1-NE 3.76Å; D77-R79 IonicContact OD1-NH2 2.71Å; D77-R79 PolarHBondContact OD1-NH2 2.85Å; D77-R79 VanDerWaalsContact OD1-NH2 3.12Å; D77-R79 IonicContact OD2-CZ 3.15Å; D77-R79 IonicContact OD2-NE 2.93Å; D77-R79 PolarHBondContact OD2-NE 2.88Å; D77-R79 IonicContact OD2-NH2 2.71Å; D77-R79 PolarHBondContact OD2-NH2 3.06Å; R79-V81 HydrophobicContact CB-CG1 3.91Å; R79-W98 VanDerWaalsContact NH1-CE3 3.31Å
80K97.9Very high96.8Very high179 Ų17961.1 Ų61.178%0.77835%0.347SS*.EExtended strand (participates in β ladder)trans-93117.1167.3-64.3-176.6-179.3-178.80108.5
81V98.4Very high96.8Very high4 Ų459.1 Ų59.12%0.02434%0.337CS..EExtended strand (participates in β ladder)trans-128.5153.8-173.5-51.70000110.9E73 T75 R79 S83 Q96 K97 W98E73-V81 HydrophobicContact CB-CG2 3.73Å; E73-V81 HydrophobicContact CG-CG2 4.14Å; E73-V81 PolarHBondContact N-O 2.55Å; E73-V81 PolarHBondContact O-N 3.07Å; T75-V81 HydrophobicContact CG2-CG1 4.05Å; T75-V81 HydrophobicContact CG2-CG2 3.94Å; R79-V81 HydrophobicContact CB-CG1 3.91Å; V81-S83 VanDerWaalsContact CG2-OG 3.3Å; V81-S83 WeakPolarHBondContact CG2-OG 3.43Å; V81-Q96 HydrophobicContact CB-CB 4.2Å; V81-Q96 HydrophobicContact CG1-CB 4.44Å; V81-Q96 HydrophobicContact CG2-CB 4.01Å; V81-Q96 HydrophobicContact CG2-CG 4.14Å; V81-K97 WeakPolarHBondContact CA-O 3.37Å; V81-W98 HydrophobicContact CB-CB 4.48Å; V81-W98 HydrophobicContact CG1-CB 4Å; V81-W98 HydrophobicContact CG1-CD2 4.12Å; V81-W98 HydrophobicContact CG1-CE3 3.87Å; V81-W98 HydrophobicContact CG1-CG 4.18Å
82K98.6Very high96.8Very high85 Ų8557.6 Ų57.637%0.3733%0.33SS..EExtended strand (participates in β ladder)trans-88.8123.9160.5-70.9-63.5-171.9-174.30108.5E70 D72 K97E70-K82 HydrophobicContact CG-CB 4.29Å; E70-K82 HydrophobicContact CG-CD 4.41Å; D72-K82 WeakPolarHBondContact OD1-CD 3.32Å; D72-K82 WeakPolarHBondContact OD1-CE 3.49Å; D72-K82 IonicContact OD1-NZ 2.82Å; D72-K82 PolarHBondContact OD1-NZ 3.02Å; D72-K82 IonicContact OD2-NZ 3.53Å; D72-K82 PolarHBondContact OD2-NZ 2.85Å; K82-K97 PolarHBondContact N-O 3.02Å; K82-K97 PolarHBondContact O-N 3.33Å
83S98.8Very high96.8Very high0 Ų053.9 Ų53.90%031%0.31CS..EExtended strand (participates in β ladder)trans-120.7143.9-174.1-74.60000111.9E70 F71 E73 V81 H94 L95E70-S83 CarbonylContact C-O 3.59Å; E70-S83 VanDerWaalsContact CA-O 3.26Å; E70-S83 WeakPolarHBondContact CA-O 3.44Å; F71-S83 WeakPolarHBondContact CD1-O 3.45Å; F71-S83 WeakPolarHBondContact CE1-O 3.36Å; F71-S83 PolarHBondContact N-O 3.28Å; F71-S83 PolarHBondContact O-N 3.01Å; E73-S83 VanDerWaalsContact OE2-CB 3.31Å; E73-S83 WeakPolarHBondContact OE2-CB 3.35Å; E73-S83 PolarHBondContact OE2-OG 2.71Å; V81-S83 VanDerWaalsContact CG2-OG 3.3Å; V81-S83 WeakPolarHBondContact CG2-OG 3.43Å; S83-H94 PolarHBondContact OG-NE2 2.84Å; S83-L95 VanDerWaalsContact CA-O 3.29Å; S83-L95 WeakPolarHBondContact CA-O 3.45Å
84I98.7Very high96.8Very high47 Ų4753.1 Ų53.124%0.24131%0.306CS..EExtended strand (participates in β ladder)trans-137.8137.6169.3-172.9171.8000108.8T86 H94 L95I84-T86 HydrophobicContact CD1-CG2 4.29Å; I84-T86 HydrophobicContact CG1-CG2 4.2Å; I84-H94 WeakPolarHBondContact O-CA 3.31Å; I84-L95 HydrophobicContact CG2-CB 4.01Å; I84-L95 HydrophobicContact CG2-CD2 4.32Å; I84-L95 PolarHBondContact N-O 3.47Å; I84-L95 PolarHBondContact O-N 3.13Å
85V98.7Very high96.9Very high1 Ų150.8 Ų50.81%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-115.5128.9174.3-171.40000109.3F65 L67 G68 F71 L92 I93 H94F65-V85 HydrophobicContact CD1-CG2 4.28Å; F65-V85 HydrophobicContact CD2-CB 3.61Å; F65-V85 HydrophobicContact CD2-CG1 4.24Å; F65-V85 HydrophobicContact CD2-CG2 3.72Å; F65-V85 HydrophobicContact CE1-CG2 4.21Å; F65-V85 HydrophobicContact CE2-CB 3.42Å; F65-V85 VanDerWaalsContact CE2-CB 3.42Å; F65-V85 HydrophobicContact CE2-CG1 3.53Å; F65-V85 HydrophobicContact CE2-CG2 3.64Å; F65-V85 HydrophobicContact CG-CB 4.41Å; F65-V85 HydrophobicContact CG-CG2 4.05Å; F65-V85 HydrophobicContact CZ-CB 4.11Å; F65-V85 HydrophobicContact CZ-CG1 3.99Å; F65-V85 HydrophobicContact CZ-CG2 3.9Å; L67-V85 CarbonylContact C-O 3.53Å; L67-V85 WeakPolarHBondContact CA-O 3.12Å; L67-V85 HydrophobicContact CD2-CB 4.36Å; L67-V85 HydrophobicContact CD2-CG1 3.97Å; G68-V85 PolarHBondContact N-O 2.93Å; F71-V85 HydrophobicContact CE1-CG2 4.07Å; F71-V85 HydrophobicContact CZ-CG2 4.26Å; V85-L92 HydrophobicContact CG1-CD1 3.52Å; V85-L92 HydrophobicContact CG1-CD2 4.46Å; V85-L92 HydrophobicContact CG1-CG 3.78Å; V85-I93 CarbonylContact C-O 3.52Å; V85-I93 VanDerWaalsContact CA-O 3.27Å; V85-I93 WeakPolarHBondContact CA-O 3.3Å; V85-H94 HydrophobicContact CG1-CB 4.43Å; V85-H94 HydrophobicContact CG2-CB 3.88Å
86T98.1Very high97Very high49 Ų4950.7 Ų50.730%0.30129%0.289SS..EExtended strand (participates in β ladder)trans-128.2160.3179.458.30000110.6I84 I93I84-T86 HydrophobicContact CD1-CG2 4.29Å; I84-T86 HydrophobicContact CG1-CG2 4.2Å; T86-I93 PolarHBondContact N-O 2.81Å; T86-I93 PolarHBondContact O-N 3.41Å
87L96.5Very high97.2Very high64 Ų6453.2 Ų53.234%0.33529%0.291SS..EExtended strand (participates in β ladder)trans-113.7111.8172.5-170.977000108F5 L67 K91 L92F5-L87 HydrophobicContact CE2-CD1 4.12Å; L67-L87 HydrophobicContact CD1-CB 4.37Å; L87-K91 WeakPolarHBondContact CA-O 3.35Å; L87-L92 HydrophobicContact CD1-CB 4.45Å; L87-L92 HydrophobicContact CD1-CD1 4.37Å
88D94.5Very high97.5Very high110 Ų11052.2 Ų52.259%0.58828%0.284SS*.EExtended strand (participates in β ladder)trans-136.2133.3-178.9-177.227000110.4G90 K91 I93D88-G90 PolarHBondContact O-N 3.09Å; D88-K91 PolarHBondContact N-O 3.06Å; D88-K91 WeakPolarHBondContact O-CA 3.41Å; D88-K91 WeakPolarHBondContact O-CB 3.24Å; D88-K91 PolarHBondContact O-N 2.9Å; D88-I93 HydrophobicContact CB-CD1 3.92Å
89G93Very high97.5Very high75 Ų7554.2 Ų54.277%0.77330%0.295SS*.THydrogen-bonded Turntrans54.826.1-17900000115.1K91G89-K91 VanDerWaalsContact C-N 3.28Å; G89-K91 PolarHBondContact O-N 3.5Å
90G93.7Very high97.5Very high50 Ų5057.1 Ų57.152%0.51533%0.334SS..THydrogen-bonded Turntrans79.74.2-174.500000114.8F5 D88F5-G90 WeakPolarHBondContact CZ-O 3.5Å; D88-G90 PolarHBondContact O-N 3.09Å
91K97.9Very high97.5Very high73 Ų7352.8 Ų52.832%0.31732%0.316SS..EExtended strand (participates in β ladder)trans-101140.2175.3-49.6-164.3-174.3-151.60110.7L87 D88 G89 I93 V106 R107 E108L87-K91 WeakPolarHBondContact CA-O 3.35Å; D88-K91 PolarHBondContact N-O 3.06Å; D88-K91 WeakPolarHBondContact O-CA 3.41Å; D88-K91 WeakPolarHBondContact O-CB 3.24Å; D88-K91 PolarHBondContact O-N 2.9Å; G89-K91 VanDerWaalsContact C-N 3.28Å; G89-K91 PolarHBondContact O-N 3.5Å; K91-I93 HydrophobicContact CB-CG1 4.23Å; K91-V106 HydrophobicContact CB-CG1 4Å; K91-V106 HydrophobicContact CD-CG1 3.73Å; K91-V106 HydrophobicContact CG-CG1 4.46Å; K91-R107 CarbonylContact C-O 3.54Å; K91-R107 VanDerWaalsContact CA-O 3.29Å; K91-R107 WeakPolarHBondContact CA-O 3.35Å; K91-E108 HydrophobicContact CD-CB 4.19Å; K91-E108 WeakPolarHBondContact CE-OE2 3.38Å; K91-E108 HydrophobicContact CG-CB 4.04Å; K91-E108 VanDerWaalsContact NZ-CD 3.3Å; K91-E108 IonicContact NZ-OE1 2.73Å; K91-E108 PolarHBondContact NZ-OE1 3.47Å; K91-E108 IonicContact NZ-OE2 3.85Å; K91-E108 PolarHBondContact NZ-OE2 3.41Å
92L98.1Very high97.5Very high1 Ų158.2 Ų58.21%0.00534%0.341CS..EExtended strand (participates in β ladder)trans-92.4105.6171.6-174.273000108.2V2 F5 L67 V85 L87 R107V2-L92 HydrophobicContact CG2-CD1 4.26Å; F5-L92 HydrophobicContact CE1-CB 4.33Å; F5-L92 HydrophobicContact CE2-CB 4.31Å; F5-L92 HydrophobicContact CZ-CB 4.18Å; L67-L92 HydrophobicContact CD2-CD1 3.76Å; V85-L92 HydrophobicContact CG1-CD1 3.52Å; V85-L92 HydrophobicContact CG1-CD2 4.46Å; V85-L92 HydrophobicContact CG1-CG 3.78Å; L87-L92 HydrophobicContact CD1-CB 4.45Å; L87-L92 HydrophobicContact CD1-CD1 4.37Å; L92-R107 HydrophobicContact CB-CB 4.15Å; L92-R107 PolarHBondContact N-O 2.97Å; L92-R107 PolarHBondContact O-N 3.2Å
93I98.6Very high97.5Very high42 Ų4254.2 Ų54.222%0.21532%0.324CS..EExtended strand (participates in β ladder)trans-102.2115.4-172.5-57.1176.5000108.6V85 T86 D88 K91 V106V85-I93 CarbonylContact C-O 3.52Å; V85-I93 VanDerWaalsContact CA-O 3.27Å; V85-I93 WeakPolarHBondContact CA-O 3.3Å; T86-I93 PolarHBondContact N-O 2.81Å; T86-I93 PolarHBondContact O-N 3.41Å; D88-I93 HydrophobicContact CB-CD1 3.92Å; K91-I93 HydrophobicContact CB-CG1 4.23Å; I93-V106 HydrophobicContact CG1-CG1 4.35Å; I93-V106 HydrophobicContact CG1-CG2 4.4Å; I93-V106 HydrophobicContact CG2-CG2 4.32Å
94H98.8Very high97.5Very high4 Ų456.1 Ų56.12%0.01934%0.336CS..EExtended strand (participates in β ladder)trans-108112174.3173.5-168.8000109.1E73 S83 I84 V85 Q96 L105E73-H94 IonicContact OE1-CE1 3.47Å; E73-H94 IonicContact OE2-CE1 2.59Å; E73-H94 PolarHBondContact OE2-CE1 3.37Å; E73-H94 IonicContact OE2-NE2 2.66Å; E73-H94 PolarHBondContact OE2-NE2 2.96Å; S83-H94 PolarHBondContact OG-NE2 2.84Å; I84-H94 WeakPolarHBondContact O-CA 3.31Å; V85-H94 HydrophobicContact CG1-CB 4.43Å; V85-H94 HydrophobicContact CG2-CB 3.88Å; H94-Q96 PolarHBondContact CE1-NE2 3.32Å; H94-L105 HydrophobicContact CB-CB 4.12Å; H94-L105 PolarHBondContact N-O 3.33Å; H94-L105 PolarHBondContact O-N 2.89Å
95L98.8Very high97.5Very high39 Ų3954.9 Ų54.920%0.20433%0.33CS..EExtended strand (participates in β ladder)trans-101.9130.3178.117664.9000108.9S83 I84 K97 E102 T104S83-L95 VanDerWaalsContact CA-O 3.29Å; S83-L95 WeakPolarHBondContact CA-O 3.45Å; I84-L95 HydrophobicContact CG2-CB 4.01Å; I84-L95 HydrophobicContact CG2-CD2 4.32Å; I84-L95 PolarHBondContact N-O 3.47Å; I84-L95 PolarHBondContact O-N 3.13Å; L95-K97 VanDerWaalsContact CD2-CE 3.43Å; L95-K97 HydrophobicContact CG-CG 4.36Å; L95-E102 HydrophobicContact CD1-CB 4.18Å; L95-T104 HydrophobicContact CD1-CG2 3.83Å
96Q98.8Very high97.5Very high6 Ų656 Ų563%0.02834%0.337CS..EExtended strand (participates in β ladder)trans-117.5135175.3-57.3-176.4-28.900109.5E73 V81 H94 W98 E102 T103 L105E73-Q96 VanDerWaalsContact CD-NE2 3.28Å; E73-Q96 PolarHBondContact OE1-NE2 3.32Å; E73-Q96 VanDerWaalsContact OE1-NE2 3.07Å; E73-Q96 PolarHBondContact OE2-NE2 3.1Å; V81-Q96 HydrophobicContact CB-CB 4.2Å; V81-Q96 HydrophobicContact CG1-CB 4.44Å; V81-Q96 HydrophobicContact CG2-CB 4.01Å; V81-Q96 HydrophobicContact CG2-CG 4.14Å; H94-Q96 PolarHBondContact CE1-NE2 3.32Å; Q96-W98 HydrophobicContact CB-CZ3 4.45Å; Q96-E102 VanDerWaalsContact O-CA 3.24Å; Q96-E102 WeakPolarHBondContact O-CA 3.48Å; Q96-T103 HydrophobicContact CB-CG2 3.82Å; Q96-T103 HydrophobicContact CG-CG2 4.25Å; Q96-T103 PolarHBondContact N-O 3.38Å; Q96-T103 PolarHBondContact O-N 3.12Å; Q96-L105 HydrophobicContact CG-CD1 3.81Å
97K98.6Very high97.5Very high100 Ų10054.3 Ų54.344%0.43532%0.324SS..EExtended strand (participates in β ladder)trans-128.3135.7178.3-61.8-176.8-179.7179.40111.7V81 K82 L95 Q101 E102V81-K97 WeakPolarHBondContact CA-O 3.37Å; K82-K97 PolarHBondContact N-O 3.02Å; K82-K97 PolarHBondContact O-N 3.33Å; L95-K97 VanDerWaalsContact CD2-CE 3.43Å; L95-K97 HydrophobicContact CG-CG 4.36Å; K97-Q101 WeakPolarHBondContact CA-O 3.39Å; K97-E102 HydrophobicContact CG-CB 4.21Å
98W98.4Very high97.6Very high25 Ų2553.3 Ų53.310%0.09532%0.318CS..EExtended strand (participates in β ladder)trans-157.7142.8175.169.5102.3000110I24 R79 V81 Q96 G100 Q101 T103 H120I24-W98 HydrophobicContact CG2-CH2 4.44Å; R79-W98 VanDerWaalsContact NH1-CE3 3.31Å; V81-W98 HydrophobicContact CB-CB 4.48Å; V81-W98 HydrophobicContact CG1-CB 4Å; V81-W98 HydrophobicContact CG1-CD2 4.12Å; V81-W98 HydrophobicContact CG1-CE3 3.87Å; V81-W98 HydrophobicContact CG1-CG 4.18Å; Q96-W98 HydrophobicContact CB-CZ3 4.45Å; W98-G100 PolarHBondContact O-N 2.78Å; W98-Q101 HydrophobicContact CD2-CB 4.24Å; W98-Q101 HydrophobicContact CH2-CB 4.17Å; W98-Q101 HydrophobicContact CZ2-CB 3.85Å; W98-Q101 HydrophobicContact CZ3-CB 4.49Å; W98-Q101 PolarHBondContact N-O 3.43Å; W98-Q101 WeakPolarHBondContact O-CA 3.14Å; W98-Q101 WeakPolarHBondContact O-CB 3.22Å; W98-Q101 PolarHBondContact O-N 3.2Å; W98-T103 HydrophobicContact CH2-CG2 3.98Å; W98-T103 HydrophobicContact CZ3-CG2 3.74Å; W98-H120 AromaticContact CH2-CD2 3.6Å; W98-H120 AromaticContact CH2-NE2 3.62Å; W98-H120 AromaticContact CZ2-NE2 3.67Å
99D96.6Very high97.8Very high155 Ų15551 Ų5183%0.82931%0.305SS*.THydrogen-bonded Turntrans46.935.8172.1-54.8-33.3000115.2Q101D99-Q101 VanDerWaalsContact C-N 3.25Å; D99-Q101 PolarHBondContact O-N 3.39Å
100G96.3Very high98Very high90 Ų9051 Ų5193%0.92829%0.287SS*.THydrogen-bonded Turntrans76.52.1-177.100000115.8W98W98-G100 PolarHBondContact O-N 2.78Å
101Q97.6Very high98.1Very high89 Ų8956.3 Ų56.342%0.41630%0.303SS..EExtended strand (participates in β ladder)trans-98.7159.3173.7-63.3-174.781.800111.8K97 W98 D99 H120K97-Q101 WeakPolarHBondContact CA-O 3.39Å; W98-Q101 HydrophobicContact CD2-CB 4.24Å; W98-Q101 HydrophobicContact CH2-CB 4.17Å; W98-Q101 HydrophobicContact CZ2-CB 3.85Å; W98-Q101 HydrophobicContact CZ3-CB 4.49Å; W98-Q101 PolarHBondContact N-O 3.43Å; W98-Q101 WeakPolarHBondContact O-CA 3.14Å; W98-Q101 WeakPolarHBondContact O-CB 3.22Å; W98-Q101 PolarHBondContact O-N 3.2Å; D99-Q101 VanDerWaalsContact C-N 3.25Å; D99-Q101 PolarHBondContact O-N 3.39Å; Q101-H120 PolarHBondContact OE1-CE1 2.89Å; Q101-H120 PolarHBondContact OE1-NE2 3.46Å
102E98.2Very high97.9Very high117 Ų11755.6 Ų55.655%0.54732%0.317SS..EExtended strand (participates in β ladder)trans-143146.6175.163.8-178.2-166.500112.5L95 Q96 K97 H120L95-E102 HydrophobicContact CD1-CB 4.18Å; Q96-E102 VanDerWaalsContact O-CA 3.24Å; Q96-E102 WeakPolarHBondContact O-CA 3.48Å; K97-E102 HydrophobicContact CG-CB 4.21Å; E102-H120 PolarHBondContact O-CD2 2.96Å; E102-H120 VanDerWaalsContact O-CD2 3.23Å
103T98.7Very high97.9Very high1 Ų159.4 Ų59.41%0.00633%0.333CS..EExtended strand (participates in β ladder)trans-133146.3169-176.90000110Y20 Q96 W98 L105 T119Y20-T103 WeakPolarHBondContact CE2-OG1 3.35Å; Y20-T103 PolarHBondContact OH-OG1 2.81Å; Q96-T103 HydrophobicContact CB-CG2 3.82Å; Q96-T103 HydrophobicContact CG-CG2 4.25Å; Q96-T103 PolarHBondContact N-O 3.38Å; Q96-T103 PolarHBondContact O-N 3.12Å; W98-T103 HydrophobicContact CH2-CG2 3.98Å; W98-T103 HydrophobicContact CZ3-CG2 3.74Å; T103-L105 HydrophobicContact CG2-CD1 4.19Å; T103-T119 VanDerWaalsContact CA-O 3.3Å; T103-T119 WeakPolarHBondContact CA-O 3.25Å; T103-T119 PolarHBondContact OG1-O 2.96Å
104T98.7Very high97.9Very high40 Ų4057.4 Ų57.425%0.24532%0.323CS..EExtended strand (participates in β ladder)trans-113.4133.7175.361.20000110.9L95 L118 T119L95-T104 HydrophobicContact CD1-CG2 3.83Å; T104-L118 WeakPolarHBondContact O-CA 3.49Å; T104-T119 PolarHBondContact N-O 2.94Å; T104-T119 PolarHBondContact O-N 3.41Å; T104-T119 WeakPolarHBondContact OG1-CB 3.22Å
105L98.8Very high97.9Very high22 Ų2258.3 Ų58.312%0.11533%0.328CS..EExtended strand (participates in β ladder)trans-114.396.9171.3-55.890.3000107.8H94 Q96 T103 L116 L118H94-L105 HydrophobicContact CB-CB 4.12Å; H94-L105 PolarHBondContact N-O 3.33Å; H94-L105 PolarHBondContact O-N 2.89Å; Q96-L105 HydrophobicContact CG-CD1 3.81Å; T103-L105 HydrophobicContact CG2-CD1 4.19Å; L105-L116 HydrophobicContact CB-CD1 4.11Å; L105-L118 HydrophobicContact CB-CD2 3.82Å; L105-L118 HydrophobicContact CD2-CD2 3.51Å; L105-L118 HydrophobicContact CG-CD2 3.47Å; L105-L118 VanDerWaalsContact CG-CD2 3.47Å
106V98.8Very high97.9Very high25 Ų2557 Ų5715%0.15232%0.321CS..EExtended strand (participates in β ladder)trans-100124.2-176.2-1790000109.6K91 I93 L116 T117K91-V106 HydrophobicContact CB-CG1 4Å; K91-V106 HydrophobicContact CD-CG1 3.73Å; K91-V106 HydrophobicContact CG-CG1 4.46Å; I93-V106 HydrophobicContact CG1-CG1 4.35Å; I93-V106 HydrophobicContact CG1-CG2 4.4Å; I93-V106 HydrophobicContact CG2-CG2 4.32Å; V106-L116 CarbonylContact O-C 3.57Å; V106-L116 WeakPolarHBondContact O-CA 3.34Å; V106-T117 PolarHBondContact N-O 3.19Å; V106-T117 PolarHBondContact O-N 2.99Å
107R98.6Very high97.9Very high12 Ų1258 Ų585%0.04533%0.328CS..EExtended strand (participates in β ladder)trans-109.5127.9176.2-73.7176.2-173.381.8-2.1110.5F5 K91 L92 L114 I115 L116F5-R107 HydrophobicContact CD1-CB 4.45Å; F5-R107 HydrophobicContact CE1-CB 4.04Å; K91-R107 CarbonylContact C-O 3.54Å; K91-R107 VanDerWaalsContact CA-O 3.29Å; K91-R107 WeakPolarHBondContact CA-O 3.35Å; L92-R107 HydrophobicContact CB-CB 4.15Å; L92-R107 PolarHBondContact N-O 2.97Å; L92-R107 PolarHBondContact O-N 3.2Å; R107-L114 HydrophobicContact CB-CD1 3.81Å; R107-L114 HydrophobicContact CG-CD1 4.14Å; R107-I115 CarbonylContact C-O 3.53Å; R107-I115 VanDerWaalsContact CA-O 3.3Å; R107-I115 WeakPolarHBondContact CA-O 3.34Å; R107-L116 HydrophobicContact CG-CB 4.43Å; R107-L116 HydrophobicContact CG-CD1 3.75Å
108E98.1Very high97.9Very high43 Ų4353.6 Ų53.620%0.20131%0.309CS..EExtended strand (participates in β ladder)trans-134.5151.9174.564.8-171.6130.200111.4K91 I110 I115K91-E108 HydrophobicContact CD-CB 4.19Å; K91-E108 WeakPolarHBondContact CE-OE2 3.38Å; K91-E108 HydrophobicContact CG-CB 4.04Å; K91-E108 VanDerWaalsContact NZ-CD 3.3Å; K91-E108 IonicContact NZ-OE1 2.73Å; K91-E108 PolarHBondContact NZ-OE1 3.47Å; K91-E108 IonicContact NZ-OE2 3.85Å; K91-E108 PolarHBondContact NZ-OE2 3.41Å; E108-I110 HydrophobicContact CG-CD1 4.06Å; E108-I110 HydrophobicContact CG-CG1 4.12Å; E108-I115 HydrophobicContact CG-CB 3.94Å; E108-I115 PolarHBondContact N-O 3.32Å; E108-I115 PolarHBondContact O-N 2.7Å
109L97.9Very high97.9Very high62 Ų6254.5 Ų54.533%0.32532%0.317SS..EExtended strand (participates in β ladder)trans-100.9119.2177.4-67.4170.3000109.3A4 F5 W9 K113 L114A4-L109 HydrophobicContact CB-CD1 3.48Å; A4-L109 VanDerWaalsContact CB-CD1 3.48Å; A4-L109 WeakPolarHBondContact O-CD1 3.28Å; F5-L109 HydrophobicContact CD1-CD1 4.26Å; F5-L109 HydrophobicContact CD1-CD2 4.37Å; F5-L109 HydrophobicContact CD1-CG 4.07Å; F5-L109 HydrophobicContact CD2-CD1 4.5Å; F5-L109 HydrophobicContact CE1-CD1 4.25Å; F5-L109 HydrophobicContact CE1-CD2 4.42Å; F5-L109 HydrophobicContact CE1-CG 3.79Å; F5-L109 HydrophobicContact CE2-CD1 4.49Å; F5-L109 HydrophobicContact CG-CD1 4.39Å; F5-L109 HydrophobicContact CZ-CD1 4.37Å; F5-L109 HydrophobicContact CZ-CG 4.18Å; W9-L109 HydrophobicContact CH2-CD2 3.53Å; W9-L109 HydrophobicContact CZ2-CD2 3.94Å; W9-L109 HydrophobicContact CZ3-CD2 4.28Å; L109-K113 VanDerWaalsContact CA-O 3.31Å; L109-K113 WeakPolarHBondContact CA-O 3.32Å; L109-L114 HydrophobicContact CD2-CB 4.13Å; L109-L114 HydrophobicContact CD2-CD1 4.11Å
110I97.3Very high98Very high76 Ų7647.8 Ų47.839%0.3928%0.281SS..EExtended strand (participates in β ladder)trans-128.8120.3177.7-54.6-176.6000107.3E108 G112 K113 I115E108-I110 HydrophobicContact CG-CD1 4.06Å; E108-I110 HydrophobicContact CG-CG1 4.12Å; I110-G112 PolarHBondContact O-N 3.45Å; I110-G112 VanDerWaalsContact O-N 3.15Å; I110-K113 PolarHBondContact N-O 2.54Å; I110-K113 WeakPolarHBondContact O-CB 3.4Å; I110-K113 PolarHBondContact O-N 3.12Å; I110-I115 HydrophobicContact CB-CG1 4.09Å; I110-I115 HydrophobicContact CD1-CG1 3.99Å; I110-I115 HydrophobicContact CG1-CG1 4.03Å
111D95.6Very high98.1Very high160 Ų16046.6 Ų46.686%0.85627%0.268SS*.THydrogen-bonded Turntrans50.140.4179.5-55.4-37.9000113.9K113D111-K113 PolarHBondContact O-N 2.73Å
112G95.1Very high98.1Very high58 Ų5849.3 Ų49.360%0.59829%0.292SS*.THydrogen-bonded Turntrans77.41-179.600000115.2I110I110-G112 PolarHBondContact O-N 3.45Å; I110-G112 VanDerWaalsContact O-N 3.15Å
113K98Very high98.1Very high81 Ų8144.4 Ų44.435%0.35227%0.271SS..EExtended strand (participates in β ladder)trans-98.5146.6174.6-53.4-165.2-173-155.10111L109 I110 D111 I115 T128 Y129 E130L109-K113 VanDerWaalsContact CA-O 3.31Å; L109-K113 WeakPolarHBondContact CA-O 3.32Å; I110-K113 PolarHBondContact N-O 2.54Å; I110-K113 WeakPolarHBondContact O-CB 3.4Å; I110-K113 PolarHBondContact O-N 3.12Å; D111-K113 PolarHBondContact O-N 2.73Å; K113-I115 HydrophobicContact CB-CD1 4.18Å; K113-T128 HydrophobicContact CB-CG2 4.08Å; K113-T128 HydrophobicContact CD-CG2 3.71Å; K113-T128 HydrophobicContact CG-CG2 4.5Å; K113-Y129 WeakPolarHBondContact CA-O 3.36Å; K113-E130 HydrophobicContact CD-CG 4.17Å; K113-E130 WeakPolarHBondContact CE-OE1 3.27Å; K113-E130 HydrophobicContact CG-CG 4.31Å; K113-E130 IonicContact NZ-OE1 3.75Å; K113-E130 PolarHBondContact NZ-OE1 3.15Å
114L98.6Very high98.1Very high1 Ų147.7 Ų47.71%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-91.7109.2173175.467000109.3F5 W9 I43 R107 L109 Y129F5-L114 HydrophobicContact CD1-CD1 3.62Å; F5-L114 HydrophobicContact CE1-CD1 3.77Å; W9-L114 HydrophobicContact CB-CD2 4.16Å; W9-L114 HydrophobicContact CD2-CB 3.77Å; W9-L114 HydrophobicContact CD2-CD2 3.81Å; W9-L114 HydrophobicContact CD2-CG 4.42Å; W9-L114 HydrophobicContact CE3-CB 3.44Å; W9-L114 VanDerWaalsContact CE3-CB 3.44Å; W9-L114 HydrophobicContact CE3-CD2 4.35Å; W9-L114 HydrophobicContact CG-CB 4.45Å; W9-L114 HydrophobicContact CG-CD2 3.7Å; W9-L114 HydrophobicContact CH2-CB 4.12Å; W9-L114 HydrophobicContact CZ2-CB 4.39Å; W9-L114 HydrophobicContact CZ3-CB 3.63Å; I43-L114 HydrophobicContact CD1-CD2 4.4Å; R107-L114 HydrophobicContact CB-CD1 3.81Å; R107-L114 HydrophobicContact CG-CD1 4.14Å; L109-L114 HydrophobicContact CD2-CB 4.13Å; L109-L114 HydrophobicContact CD2-CD1 4.11Å; L114-Y129 PolarHBondContact N-O 3.24Å; L114-Y129 PolarHBondContact O-N 3.42Å
115I98.7Very high98.1Very high23 Ų2345.8 Ų45.812%0.11828%0.279CS..EExtended strand (participates in β ladder)trans-93.9120176.1-48.6-53.8000108.3R107 E108 I110 K113 T126 T128R107-I115 CarbonylContact C-O 3.53Å; R107-I115 VanDerWaalsContact CA-O 3.3Å; R107-I115 WeakPolarHBondContact CA-O 3.34Å; E108-I115 HydrophobicContact CG-CB 3.94Å; E108-I115 PolarHBondContact N-O 3.32Å; E108-I115 PolarHBondContact O-N 2.7Å; I110-I115 HydrophobicContact CB-CG1 4.09Å; I110-I115 HydrophobicContact CD1-CG1 3.99Å; I110-I115 HydrophobicContact CG1-CG1 4.03Å; K113-I115 HydrophobicContact CB-CD1 4.18Å; I115-T126 HydrophobicContact CG2-CG2 3.71Å; I115-T128 HydrophobicContact CD1-CG2 3.7Å
116L98.8Very high98.1Very high11 Ų1147 Ų476%0.05829%0.288CS..EExtended strand (participates in β ladder)trans-106.3114.4174.7171.562.7000109.1L105 V106 R107 L118 T126 R127 Y129L105-L116 HydrophobicContact CB-CD1 4.11Å; V106-L116 CarbonylContact O-C 3.57Å; V106-L116 WeakPolarHBondContact O-CA 3.34Å; R107-L116 HydrophobicContact CG-CB 4.43Å; R107-L116 HydrophobicContact CG-CD1 3.75Å; L116-L118 HydrophobicContact CD1-CD2 3.73Å; L116-L118 HydrophobicContact CD1-CG 4.47Å; L116-L118 HydrophobicContact CD2-CD2 4.03Å; L116-L118 HydrophobicContact CD2-CG 4.43Å; L116-L118 HydrophobicContact CG-CD2 3.83Å; L116-L118 HydrophobicContact CG-CG 4.12Å; L116-T126 CarbonylContact O-C 3.59Å; L116-T126 WeakPolarHBondContact O-CA 3.34Å; L116-R127 HydrophobicContact CB-CB 4.27Å; L116-R127 PolarHBondContact N-O 3.19Å; L116-R127 PolarHBondContact O-N 3.4Å; L116-Y129 HydrophobicContact CB-CE2 4.29Å; L116-Y129 HydrophobicContact CD2-CE2 4.18Å
117T98.8Very high98.1Very high28 Ų2846.2 Ų46.217%0.17228%0.282CS..EExtended strand (participates in β ladder)trans-102.8123.4172.9-58.40000109.4V106 V124 C125V106-T117 PolarHBondContact N-O 3.19Å; V106-T117 PolarHBondContact O-N 2.99Å; T117-V124 HydrophobicContact CG2-CG1 3.92Å; T117-C125 CarbonylContact C-O 3.59Å; T117-C125 VanDerWaalsContact CA-O 3.29Å; T117-C125 WeakPolarHBondContact CA-O 3.21Å
118L98.8Very high98.1Very high7 Ų746.6 Ų46.64%0.03729%0.286CS..EExtended strand (participates in β ladder)trans-110.5126.6179.2-53.7173.5000109F17 Y20 T104 L105 L116 V124 C125F17-L118 HydrophobicContact CD2-CD1 4Å; F17-L118 HydrophobicContact CE2-CD1 3.86Å; Y20-L118 HydrophobicContact CD1-CB 4.21Å; Y20-L118 HydrophobicContact CD1-CD1 3.88Å; Y20-L118 HydrophobicContact CD2-CB 3.72Å; Y20-L118 HydrophobicContact CE1-CB 4.17Å; Y20-L118 HydrophobicContact CE1-CD1 3.89Å; Y20-L118 HydrophobicContact CE2-CB 3.68Å; Y20-L118 HydrophobicContact CG-CB 4Å; Y20-L118 HydrophobicContact CG-CD1 4.39Å; T104-L118 WeakPolarHBondContact O-CA 3.49Å; L105-L118 HydrophobicContact CB-CD2 3.82Å; L105-L118 HydrophobicContact CD2-CD2 3.51Å; L105-L118 HydrophobicContact CG-CD2 3.47Å; L105-L118 VanDerWaalsContact CG-CD2 3.47Å; L116-L118 HydrophobicContact CD1-CD2 3.73Å; L116-L118 HydrophobicContact CD1-CG 4.47Å; L116-L118 HydrophobicContact CD2-CD2 4.03Å; L116-L118 HydrophobicContact CD2-CG 4.43Å; L116-L118 HydrophobicContact CG-CD2 3.83Å; L116-L118 HydrophobicContact CG-CG 4.12Å; L118-V124 WeakPolarHBondContact O-CA 3.26Å; L118-C125 HydrophobicContact CB-CB 4.12Å; L118-C125 PolarHBondContact N-O 3.49Å; L118-C125 PolarHBondContact O-N 3.4Å
119T98.8Very high98.1Very high44 Ų4445 Ų4527%0.2728%0.278SS..EExtended strand (participates in β ladder)trans-130.9122.6-177.2-50.10000110.4T103 T104 A123 V124T103-T119 VanDerWaalsContact CA-O 3.3Å; T103-T119 WeakPolarHBondContact CA-O 3.25Å; T103-T119 PolarHBondContact OG1-O 2.96Å; T104-T119 PolarHBondContact N-O 2.94Å; T104-T119 PolarHBondContact O-N 3.41Å; T104-T119 WeakPolarHBondContact OG1-CB 3.22Å; T119-A123 WeakPolarHBondContact CA-O 3.18Å; T119-V124 HydrophobicContact CG2-CG2 4.26Å
120H98.7Very high98.1Very high13 Ų1346 Ų466%0.0628%0.281CS..EExtended strand (participates in β ladder)trans-140124.8170.1179.7-100.8000109.8Y20 S23 I24 W98 Q101 E102 T122 A123Y20-H120 HydrophobicContact CD2-CB 4.09Å; Y20-H120 HydrophobicContact CE2-CB 3.75Å; S23-H120 PolarHBondContact O-CE1 2.91Å; S23-H120 PolarHBondContact O-ND1 3.15Å; S23-H120 PolarHBondContact OG-ND1 2.91Å; S23-H120 PolarHBondContact OG-O 3.44Å; I24-H120 HydrophobicContact CG2-CB 3.69Å; I24-H120 VanDerWaalsContact CG2-CG 3.4Å; W98-H120 AromaticContact CH2-CD2 3.6Å; W98-H120 AromaticContact CH2-NE2 3.62Å; W98-H120 AromaticContact CZ2-NE2 3.67Å; Q101-H120 PolarHBondContact OE1-CE1 2.89Å; Q101-H120 PolarHBondContact OE1-NE2 3.46Å; E102-H120 PolarHBondContact O-CD2 2.96Å; E102-H120 VanDerWaalsContact O-CD2 3.23Å; H120-T122 PolarHBondContact O-N 2.77Å; H120-A123 PolarHBondContact N-O 3.06Å; H120-A123 VanDerWaalsContact N-O 3.1Å; H120-A123 WeakPolarHBondContact O-CB 3.42Å; H120-A123 PolarHBondContact O-N 3.3Å
121G96.9Very high98.1Very high65 Ų6547.7 Ų47.767%0.6729%0.285SS*.THydrogen-bonded Turntrans54.5-122.1-170.100000111.1
122T97.5Very high98Very high147 Ų14744.2 Ų44.290%0.90226%0.264SS*.THydrogen-bonded Turntrans-94-5175.560.40000113.7H120H120-T122 PolarHBondContact O-N 2.77Å
123A98.4Very high97.2Very high14 Ų1449.5 Ų49.512%0.11630%0.302CS..EExtended strand (participates in β ladder)trans-80.7126.4-178.200000110.1T119 H120T119-A123 WeakPolarHBondContact CA-O 3.18Å; H120-A123 PolarHBondContact N-O 3.06Å; H120-A123 VanDerWaalsContact N-O 3.1Å; H120-A123 WeakPolarHBondContact O-CB 3.42Å; H120-A123 PolarHBondContact O-N 3.3Å
124V98.7Very high97.2Very high70 Ų7047.9 Ų47.942%0.42430%0.299SS..EExtended strand (participates in β ladder)trans-124.8120.9176.4-1750000109N16 T117 L118 T119N16-V124 VanDerWaalsContact CB-O 3.31Å; N16-V124 WeakPolarHBondContact CB-O 3.43Å; N16-V124 PolarHBondContact ND2-O 3.14Å; T117-V124 HydrophobicContact CG2-CG1 3.92Å; L118-V124 WeakPolarHBondContact O-CA 3.26Å; T119-V124 HydrophobicContact CG2-CG2 4.26Å
125C98.7Very high97.1Very high0 Ų050.4 Ų50.40%032%0.315CS..EExtended strand (participates in β ladder)trans-114.9142.7176.9163.40000110K15 N16 F17 Y20 T117 L118K15-C125 VanDerWaalsContact O-CA 3.32Å; K15-C125 WeakPolarHBondContact O-CA 3.36Å; K15-C125 PolarHBondContact O-SG 2.94Å; N16-C125 HydrophobicContact CB-CB 4.49Å; F17-C125 VanDerWaalsContact CA-SG 3.59Å; Y20-C125 HydrophobicContact CG-CB 4.34Å; T117-C125 CarbonylContact C-O 3.59Å; T117-C125 VanDerWaalsContact CA-O 3.29Å; T117-C125 WeakPolarHBondContact CA-O 3.21Å; L118-C125 HydrophobicContact CB-CB 4.12Å; L118-C125 PolarHBondContact N-O 3.49Å; L118-C125 PolarHBondContact O-N 3.4Å
126T98.8Very high97Very high48 Ų4851.9 Ų51.929%0.29433%0.326SS..EExtended strand (participates in β ladder)trans-124.6127.6175-53.80000109.2S14 K15 I115 L116S14-T126 WeakPolarHBondContact CA-O 3.38Å; K15-T126 PolarHBondContact N-O 2.99Å; K15-T126 PolarHBondContact O-N 2.89Å; K15-T126 VanDerWaalsContact O-N 3.09Å; I115-T126 HydrophobicContact CG2-CG2 3.71Å; L116-T126 CarbonylContact O-C 3.59Å; L116-T126 WeakPolarHBondContact O-CA 3.34Å
127R98.8Very high96.9Very high8 Ų854.3 Ų54.33%0.0334%0.342CS..EExtended strand (participates in β ladder)trans-124.3130.5177.4-65.6-179.571.292.2-14.8109.2L11 D13 S14 L116 Y129L11-R127 HydrophobicContact CD1-CB 3.76Å; L11-R127 HydrophobicContact CD1-CG 4.25Å; D13-R127 WeakPolarHBondContact O-CA 3.4Å; S14-R127 PolarHBondContact OG-NH1 2.85Å; L116-R127 HydrophobicContact CB-CB 4.27Å; L116-R127 PolarHBondContact N-O 3.19Å; L116-R127 PolarHBondContact O-N 3.4Å; R127-Y129 HydrophobicContact CB-CD2 4.46Å; R127-Y129 HydrophobicContact CB-CE2 3.81Å
128T98.8Very high96.8Very high20 Ų2055.9 Ų55.912%0.12335%0.352CS..EExtended strand (participates in β ladder)trans-107.3130.8-179.8-54.80000109.2V12 D13 K113 I115V12-T128 HydrophobicContact CG2-CG2 3.85Å; V12-T128 WeakPolarHBondContact CG2-O 3.41Å; V12-T128 PolarHBondContact N-O 2.92Å; D13-T128 PolarHBondContact N-O 2.82Å; D13-T128 PolarHBondContact O-N 3.16Å; K113-T128 HydrophobicContact CB-CG2 4.08Å; K113-T128 HydrophobicContact CD-CG2 3.71Å; K113-T128 HydrophobicContact CG-CG2 4.5Å; I115-T128 HydrophobicContact CD1-CG2 3.7Å
129Y98.7Very high96.7Very high10 Ų1059.2 Ų59.24%0.03937%0.373CS..EExtended strand (participates in β ladder)trans-119.6143.1175.4-65.6-111.7000110.9W9 K10 L11 P39 K113 L114 L116 R127W9-Y129 HydrophobicContact CB-CD1 4.15Å; W9-Y129 HydrophobicContact CB-CG 4.41Å; K10-Y129 VanDerWaalsContact C-CD1 3.41Å; K10-Y129 CarbonylContact O-C 3.52Å; K10-Y129 WeakPolarHBondContact O-CA 3.18Å; L11-Y129 HydrophobicContact CB-CD1 4.09Å; L11-Y129 HydrophobicContact CB-CE1 3.77Å; L11-Y129 HydrophobicContact CD1-CD2 4Å; L11-Y129 HydrophobicContact CD1-CE1 4.08Å; L11-Y129 HydrophobicContact CD1-CE2 3.49Å; L11-Y129 VanDerWaalsContact CD1-CE2 3.49Å; L11-Y129 HydrophobicContact CD1-CG 4.46Å; P39-Y129 HydrophobicContact CG-CE1 4.44Å; K113-Y129 WeakPolarHBondContact CA-O 3.36Å; L114-Y129 PolarHBondContact N-O 3.24Å; L114-Y129 PolarHBondContact O-N 3.42Å; L116-Y129 HydrophobicContact CB-CE2 4.29Å; L116-Y129 HydrophobicContact CD2-CE2 4.18Å; R127-Y129 HydrophobicContact CB-CD2 4.46Å; R127-Y129 HydrophobicContact CB-CE2 3.81Å
130E98.3Very high96.5Very high81 Ų8160.3 Ų60.338%0.37938%0.381SS..EExtended strand (participates in β ladder)trans-107.9144.6172.7-75.4178-178.600110.2W9 K10 V12 K113 E132W9-E130 CarbonylContact C-O 3.57Å; W9-E130 WeakPolarHBondContact CA-O 3.43Å; K10-E130 PolarHBondContact N-O 3.18Å; K10-E130 PolarHBondContact O-N 3.38Å; V12-E130 HydrophobicContact CG1-CB 3.96Å; V12-E130 HydrophobicContact CG1-CG 3.94Å; V12-E130 HydrophobicContact CG2-CG 3.82Å; K113-E130 HydrophobicContact CD-CG 4.17Å; K113-E130 WeakPolarHBondContact CE-OE1 3.27Å; K113-E130 HydrophobicContact CG-CG 4.31Å; K113-E130 IonicContact NZ-OE1 3.75Å; K113-E130 PolarHBondContact NZ-OE1 3.15Å; E130-E132 PolarHBondContact O-N 3.25Å
131K97.4Very high96.3Very high112 Ų11263.9 Ų63.949%0.48741%0.405SS..EExtended strand (participates in β ladder)trans-69.3130.7-179.7-158.1167.2-170.9163.70109.3L6 T8 W9L6-K131 WeakPolarHBondContact O-CE 3.19Å; L6-K131 PolarHBondContact O-NZ 3.16Å; T8-K131 WeakPolarHBondContact O-CA 3.45Å; W9-K131 HydrophobicContact CD2-CB 4.48Å; W9-K131 HydrophobicContact CD2-CG 4.48Å; W9-K131 HydrophobicContact CE3-CB 3.91Å; W9-K131 HydrophobicContact CE3-CG 4.38Å; W9-K131 HydrophobicContact CH2-CB 4.07Å; W9-K131 HydrophobicContact CH2-CD 4.06Å; W9-K131 HydrophobicContact CH2-CG 4.24Å; W9-K131 HydrophobicContact CZ2-CD 4.13Å; W9-K131 HydrophobicContact CZ2-CG 4.34Å; W9-K131 HydrophobicContact CZ3-CB 3.69Å; W9-K131 HydrophobicContact CZ3-CG 4.26Å
132E93.2Very high96.3Very high87 Ų8763.8 Ų63.841%0.40738%0.383SS..  trans-71.6136.1168.6-171.1172.6-129.400108.8T8 K10 E130T8-E132 HydrophobicContact CG2-CB 4.01Å; T8-E132 WeakPolarHBondContact CG2-OE2 3.49Å; T8-E132 PolarHBondContact O-N 3.25Å; K10-E132 WeakPolarHBondContact CE-OE1 3.49Å; K10-E132 IonicContact NZ-OE1 3.45Å; K10-E132 PolarHBondContact NZ-OE1 3.45Å; E130-E132 PolarHBondContact O-N 3.25Å
133A78.3Confident96.2Very high169 Ų16956.3 Ų56.3100%1.39734%0.336SS*.  trans-70.30-18000000112.3

Retrieved 133 of 133 residues in 69.3 ms (Link to these results)

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