U6DV60_NEOVI Loading...

Cerebellin-4

AlphaFold DB , UniProt , Accession U6DV60, Species NEOVI (Neovison vison, American mink), Gene CBLN4, Length 104 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
1I95.8Very high97.5Very high127 Ų127100.6 Ų100.665%0.65156%0.558SS**  01240-64.4166.2000107.4V3 N4 F9 L11I1-V3 WeakPolarHBondContact CG2-O 3.35Å; I1-N4 HydrophobicContact CG2-CB 3.83Å; I1-F9 HydrophobicContact CD1-CD1 4Å; I1-F9 HydrophobicContact CD1-CE1 4.42Å; I1-F9 HydrophobicContact CG1-CD1 4.1Å; I1-F9 HydrophobicContact CG1-CE1 4.22Å; I1-L11 HydrophobicContact CD1-CD2 4.49Å
2L97.9Very high97.4Very high183 Ų183104.2 Ų104.296%0.95857%0.567SS**  trans-93.6-38.4-179.1-63.7176.3000112.5
3V98.4Very high97.4Very high116 Ų116101.4 Ų101.470%0.70356%0.56SS**  trans-135.3136178.2178.80000108.5I1 V5I1-V3 WeakPolarHBondContact CG2-O 3.35Å; V3-V5 HydrophobicContact CG1-CG2 4.07Å
4N98.1Very high97.5Very high47 Ų4796.1 Ų96.125%0.25153%0.532SS..  trans-15256.2175.6-162.43.8000111.7I1 G6 N7 F8 F9I1-N4 HydrophobicContact CG2-CB 3.83Å; N4-G6 PolarHBondContact O-N 3Å; N4-N7 PolarHBondContact O-N 3.15Å; N4-N7 VanDerWaalsContact O-N 3.08Å; N4-N7 WeakPolarHBondContact OD1-CA 3.37Å; N4-F8 PolarHBondContact OD1-N 3.2Å; N4-F9 PolarHBondContact ND2-O 3.08Å; N4-F9 PolarHBondContact OD1-N 2.89Å; N4-F9 VanDerWaalsContact OD1-N 3.12Å
5V98.1Very high97.6Very high134 Ų13491.4 Ų91.481%0.81250%0.504SS*.THydrogen-bonded Turntrans-63.4121.6179.5-179.60000109.4V3V3-V5 HydrophobicContact CG1-CG2 4.07Å
6G97.2Very high97.7Very high40 Ų4088.3 Ų88.341%0.41249%0.489SS..THydrogen-bonded Turntrans88.2-3-177.300000115.3N4 F8N4-G6 PolarHBondContact O-N 3Å; G6-F8 VanDerWaalsContact C-N 3.3Å; G6-F8 WeakPolarHBondContact O-CD2 3.42Å; G6-F8 WeakPolarHBondContact O-CE1 3.4Å; G6-F8 VanDerWaalsContact O-CE2 3.3Å; G6-F8 WeakPolarHBondContact O-CE2 2.89Å; G6-F8 VanDerWaalsContact O-CZ 3.31Å; G6-F8 WeakPolarHBondContact O-CZ 3.32Å; G6-F8 PolarHBondContact O-N 3.48Å
7N97.9Very high97.7Very high135 Ų13583.2 Ų83.272%0.72246%0.46SS*.SBendtrans57.937.1177.4-58.4-44.7000114.3N4N4-N7 PolarHBondContact O-N 3.15Å; N4-N7 VanDerWaalsContact O-N 3.08Å; N4-N7 WeakPolarHBondContact OD1-CA 3.37Å
8F98.1Very high97.7Very high84 Ų8480.8 Ų80.837%0.36845%0.45SS..  trans-96.3-0.5-178.2-61.1-56.4000114N4 G6 F15 V16 P18N4-F8 PolarHBondContact OD1-N 3.2Å; G6-F8 VanDerWaalsContact C-N 3.3Å; G6-F8 WeakPolarHBondContact O-CD2 3.42Å; G6-F8 WeakPolarHBondContact O-CE1 3.4Å; G6-F8 VanDerWaalsContact O-CE2 3.3Å; G6-F8 WeakPolarHBondContact O-CE2 2.89Å; G6-F8 VanDerWaalsContact O-CZ 3.31Å; G6-F8 WeakPolarHBondContact O-CZ 3.32Å; G6-F8 PolarHBondContact O-N 3.48Å; F8-F15 HydrophobicContact CB-CD2 4.37Å; F8-F15 HydrophobicContact CB-CE2 3.95Å; F8-F15 CarbonylContact O-C 3.56Å; F8-F15 WeakPolarHBondContact O-CA 3.3Å; F8-V16 WeakPolarHBondContact CB-O 3.31Å; F8-V16 PolarHBondContact O-N 3Å; F8-P18 HydrophobicContact CD1-CB 3.73Å; F8-P18 HydrophobicContact CD1-CG 4.37Å; F8-P18 HydrophobicContact CD2-CB 3.73Å; F8-P18 HydrophobicContact CD2-CG 3.61Å; F8-P18 HydrophobicContact CE1-CB 3.48Å; F8-P18 VanDerWaalsContact CE1-CB 3.48Å; F8-P18 HydrophobicContact CE1-CG 4.44Å; F8-P18 HydrophobicContact CE2-CB 3.44Å; F8-P18 VanDerWaalsContact CE2-CB 3.44Å; F8-P18 HydrophobicContact CE2-CG 3.65Å; F8-P18 HydrophobicContact CG-CB 3.87Å; F8-P18 HydrophobicContact CG-CG 4Å; F8-P18 HydrophobicContact CZ-CB 3.33Å; F8-P18 HydrophobicContact CZ-CG 4.1Å
9F98.6Very high97.8Very high45 Ų4583.3 Ų83.320%0.19745%0.451CS..BIsolated β-bridgetrans-104120.9168.2-169.2-101.6000110.3I1 N4 S13 V14 F15 F96I1-F9 HydrophobicContact CD1-CD1 4Å; I1-F9 HydrophobicContact CD1-CE1 4.42Å; I1-F9 HydrophobicContact CG1-CD1 4.1Å; I1-F9 HydrophobicContact CG1-CE1 4.22Å; N4-F9 PolarHBondContact ND2-O 3.08Å; N4-F9 PolarHBondContact OD1-N 2.89Å; N4-F9 VanDerWaalsContact OD1-N 3.12Å; F9-S13 VanDerWaalsContact CZ-CA 3.41Å; F9-V14 WeakPolarHBondContact CA-O 3.37Å; F9-F15 HydrophobicContact CD2-CB 4.09Å; F9-F96 AromaticContact CE2-CD1 3.85Å; F9-F96 HydrophobicContact CE2-CD1 3.85Å; F9-F96 AromaticContact CE2-CE1 3.77Å; F9-F96 HydrophobicContact CE2-CE1 3.77Å; F9-F96 HydrophobicContact CZ-CD1 4.12Å; F9-F96 HydrophobicContact CZ-CE1 4.45Å
10T97.3Very high97.8Very high43 Ų4383.2 Ų83.226%0.26445%0.446SS..  trans-87.5167.9-173.980.80000112.7E12 S13 V14 V16T10-E12 WeakPolarHBondContact CB-OE2 3.45Å; T10-E12 PolarHBondContact O-N 2.79Å; T10-E12 PolarHBondContact OG1-N 2.99Å; T10-E12 PolarHBondContact OG1-OE2 3.06Å; T10-S13 PolarHBondContact O-N 2.81Å; T10-S13 VanDerWaalsContact O-N 3.12Å; T10-V14 PolarHBondContact N-O 2.62Å; T10-V16 HydrophobicContact CG2-CG2 4.27Å
11L94.8Very high97.9Very high153 Ų15379.2 Ų79.280%0.80143%0.425SS*.THydrogen-bonded Turntrans-66.3-24.6176.8-66.8176.4000112.3I1 S13I1-L11 HydrophobicContact CD1-CD2 4.49Å; L11-S13 PolarHBondContact O-N 2.91Å; L11-S13 VanDerWaalsContact O-N 3.16Å
12E96.6Very high98Very high143 Ų14374.7 Ų74.767%0.66840%0.402SS*.THydrogen-bonded Turntrans-75.78.7174-55.372.3-153.700112.9T10 V14T10-E12 WeakPolarHBondContact CB-OE2 3.45Å; T10-E12 PolarHBondContact O-N 2.79Å; T10-E12 PolarHBondContact OG1-N 2.99Å; T10-E12 PolarHBondContact OG1-OE2 3.06Å; E12-V14 VanDerWaalsContact C-N 3.35Å; E12-V14 HydrophobicContact CB-CG2 4.32Å
13S97.6Very high98.1Very high68 Ų6866 Ų6648%0.47636%0.356SS..SBendtrans63.235.7-178.4-55.40000114.3F9 T10 L11F9-S13 VanDerWaalsContact CZ-CA 3.41Å; T10-S13 PolarHBondContact O-N 2.81Å; T10-S13 VanDerWaalsContact O-N 3.12Å; L11-S13 PolarHBondContact O-N 2.91Å; L11-S13 VanDerWaalsContact O-N 3.16Å
14V98.6Very high98.1Very high27 Ų2761.9 Ų61.916%0.16433%0.333CS..  trans-112.5128.4177.6-176.70000109.9F9 T10 E12 V16 K77 Y79F9-V14 WeakPolarHBondContact CA-O 3.37Å; T10-V14 PolarHBondContact N-O 2.62Å; E12-V14 VanDerWaalsContact C-N 3.35Å; E12-V14 HydrophobicContact CB-CG2 4.32Å; V14-V16 HydrophobicContact CG1-CG2 4.32Å; V14-K77 HydrophobicContact CG1-CB 3.93Å; V14-K77 HydrophobicContact CG1-CG 4.3Å; V14-Y79 HydrophobicContact CG1-CD1 4.33Å; V14-Y79 HydrophobicContact CG2-CD1 4.5Å; V14-Y79 HydrophobicContact CG2-CG 4.36Å
15F98.8Very high98.1Very high26 Ų2659.9 Ų59.911%0.11432%0.321CS..EExtended strand (participates in β ladder)trans-85.9131.7165.6177.2-99.4000109.7F8 F9 A17 Y23 F25 L72 K77 V78F8-F15 HydrophobicContact CB-CD2 4.37Å; F8-F15 HydrophobicContact CB-CE2 3.95Å; F8-F15 CarbonylContact O-C 3.56Å; F8-F15 WeakPolarHBondContact O-CA 3.3Å; F9-F15 HydrophobicContact CD2-CB 4.09Å; F15-A17 HydrophobicContact CE1-CB 4.11Å; F15-Y23 AromaticContact CE1-CD1 3.92Å; F15-Y23 HydrophobicContact CE1-CD1 3.92Å; F15-Y23 AromaticContact CE1-CE1 3.95Å; F15-Y23 HydrophobicContact CE1-CE1 3.95Å; F15-Y23 AromaticContact CZ-CD1 3.83Å; F15-Y23 HydrophobicContact CZ-CD1 3.83Å; F15-Y23 AromaticContact CZ-CE1 3.64Å; F15-Y23 HydrophobicContact CZ-CE1 3.64Å; F15-F25 HydrophobicContact CB-CE1 4.27Å; F15-F25 AromaticContact CD1-CE1 3.87Å; F15-F25 HydrophobicContact CD1-CE1 3.87Å; F15-F25 AromaticContact CD1-CZ 3.58Å; F15-F25 HydrophobicContact CD1-CZ 3.58Å; F15-F25 HydrophobicContact CE1-CE1 4.42Å; F15-F25 AromaticContact CE1-CZ 3.88Å; F15-F25 HydrophobicContact CE1-CZ 3.88Å; F15-F25 HydrophobicContact CG-CE1 4.05Å; F15-F25 HydrophobicContact CG-CZ 4.24Å; F15-L72 HydrophobicContact CD1-CD1 4.4Å; F15-L72 HydrophobicContact CE1-CD1 4.03Å; F15-K77 CarbonylContact O-C 3.43Å; F15-K77 WeakPolarHBondContact O-CA 2.72Å; F15-V78 HydrophobicContact CB-CB 4.37Å; F15-V78 HydrophobicContact CD1-CB 4.38Å; F15-V78 PolarHBondContact N-O 3.44Å; F15-V78 PolarHBondContact O-N 2.93Å
16V98.8Very high98.1Very high42 Ų4255.4 Ų55.426%0.25530%0.296SS..EExtended strand (participates in β ladder)trans-115.5116.2175.5-174.80000108.9F8 T10 V14 P18 D76 K77F8-V16 WeakPolarHBondContact CB-O 3.31Å; F8-V16 PolarHBondContact O-N 3Å; T10-V16 HydrophobicContact CG2-CG2 4.27Å; V14-V16 HydrophobicContact CG1-CG2 4.32Å; V16-P18 WeakPolarHBondContact O-CD 3.48Å; V16-D76 CarbonylContact C-O 3.53Å; V16-D76 WeakPolarHBondContact CA-O 3.48Å; V16-K77 HydrophobicContact CG2-CG 4.39Å
17A98.6Very high98.2Very high1 Ų153.5 Ų53.51%0.00828%0.277CS..  trans-62.3120.3-176.200000111.3F15 R19 Y23 L72 D73 E75 D76F15-A17 HydrophobicContact CE1-CB 4.11Å; A17-R19 VanDerWaalsContact C-N 3.31Å; A17-R19 PolarHBondContact O-N 3.26Å; A17-Y23 HydrophobicContact CB-CE2 4.44Å; A17-L72 HydrophobicContact CB-CB 3.89Å; A17-L72 HydrophobicContact CB-CD1 3.95Å; A17-D73 WeakPolarHBondContact CB-O 3.41Å; A17-E75 PolarHBondContact O-N 3.12Å; A17-D76 HydrophobicContact CB-CB 4.18Å; A17-D76 PolarHBondContact N-O 2.81Å
18P98.4Very high98.2Very high41 Ų4150.4 Ų50.427%0.26626%0.258SS..SBendtrans-77.6-18.7-17730.1-37.5000114F8 V16 Y23 K74F8-P18 HydrophobicContact CD1-CB 3.73Å; F8-P18 HydrophobicContact CD1-CG 4.37Å; F8-P18 HydrophobicContact CD2-CB 3.73Å; F8-P18 HydrophobicContact CD2-CG 3.61Å; F8-P18 HydrophobicContact CE1-CB 3.48Å; F8-P18 VanDerWaalsContact CE1-CB 3.48Å; F8-P18 HydrophobicContact CE1-CG 4.44Å; F8-P18 HydrophobicContact CE2-CB 3.44Å; F8-P18 VanDerWaalsContact CE2-CB 3.44Å; F8-P18 HydrophobicContact CE2-CG 3.65Å; F8-P18 HydrophobicContact CG-CB 3.87Å; F8-P18 HydrophobicContact CG-CG 4Å; F8-P18 HydrophobicContact CZ-CB 3.33Å; F8-P18 HydrophobicContact CZ-CG 4.1Å; V16-P18 WeakPolarHBondContact O-CD 3.48Å; P18-Y23 WeakPolarHBondContact CD-OH 3.35Å; P18-K74 WeakPolarHBondContact O-CG 3.45Å
19R98.5Very high98.1Very high127 Ų12747 Ų4748%0.47924%0.244SC..SBendtrans-161.5167.8-178.464.9-179.7-63.71742.8110.4A17 Y23 P103A17-R19 VanDerWaalsContact C-N 3.31Å; A17-R19 PolarHBondContact O-N 3.26Å; R19-Y23 PolarHBondContact O-OH 2.96Å; R19-P103 VanDerWaalsContact NH2-CB 3.32Å
20K98.8Very high97.8Very high82 Ų8246.7 Ų46.736%0.35724%0.244SC..SBendtrans-64137.3172.6-162.8177.2-173.41630112.4Y71 L72 D73 L104K20-Y71 WeakPolarHBondContact CE-OH 3.49Å; K20-Y71 PolarHBondContact NZ-OH 2.86Å; K20-L72 VanDerWaalsContact CA-O 3.29Å; K20-L72 WeakPolarHBondContact CA-O 3.35Å; K20-D73 WeakPolarHBondContact CE-OD1 3.43Å; K20-D73 IonicContact NZ-OD1 3.84Å; K20-L104 HydrophobicContact CD-CB 4.33Å; K20-L104 HydrophobicContact CG-CB 4.13Å; K20-L104 PolarHBondContact O-N 2.9Å; K20-L104 VanDerWaalsContact O-N 3.15Å
21G98.7Very high97.3Very high0 Ų044.7 Ų44.70%023%0.232CC..EExtended strand (participates in β ladder)trans169.9-178.2177.500000114.8Y23 L72 F102G21-Y23 WeakPolarHBondContact O-CD2 3.46Å; G21-L72 PolarHBondContact N-O 3.37Å; G21-L72 PolarHBondContact O-N 2.81Å; G21-F102 WeakPolarHBondContact CA-O 3.18Å
22I98.8Very high96.7Very high31 Ų3138 Ų3816%0.15920%0.197CC..EExtended strand (participates in β ladder)trans-96.4126.6169.2-59.4-56.1000109.3L69 L70 Y71 V101 F102 L104I22-L69 HydrophobicContact CG2-CB 4.19Å; I22-L69 HydrophobicContact CG2-CD2 4.38Å; I22-L70 CarbonylContact C-O 3.47Å; I22-L70 WeakPolarHBondContact CA-O 3.42Å; I22-Y71 HydrophobicContact CD1-CD2 3.9Å; I22-Y71 HydrophobicContact CD1-CG 4.33Å; I22-V101 HydrophobicContact CG2-CB 4.41Å; I22-V101 HydrophobicContact CG2-CG2 4.3Å; I22-V101 WeakPolarHBondContact O-CB 3.33Å; I22-V101 PolarHBondContact O-N 2.87Å; I22-F102 HydrophobicContact CB-CD2 4.45Å; I22-F102 HydrophobicContact CB-CE1 4.22Å; I22-F102 HydrophobicContact CB-CE2 3.98Å; I22-F102 HydrophobicContact CB-CZ 3.85Å; I22-F102 HydrophobicContact CG1-CD2 4.3Å; I22-F102 HydrophobicContact CG1-CE1 4.33Å; I22-F102 HydrophobicContact CG1-CE2 3.46Å; I22-F102 VanDerWaalsContact CG1-CE2 3.46Å; I22-F102 HydrophobicContact CG1-CZ 3.47Å; I22-F102 VanDerWaalsContact CG1-CZ 3.47Å; I22-F102 HydrophobicContact CG2-CZ 4.47Å; I22-F102 PolarHBondContact N-O 2.92Å; I22-L104 HydrophobicContact CD1-CD1 4.38Å; I22-L104 HydrophobicContact CG1-CD1 4.47Å
23Y98.9Very high95.5Very high2 Ų238.2 Ų38.21%0.00819%0.193CC..EExtended strand (participates in β ladder)trans-118.7140.5-178.2-66.2-98.8000110.4F15 A17 P18 R19 G21 L69 L70 L72 F99 L100F15-Y23 AromaticContact CE1-CD1 3.92Å; F15-Y23 HydrophobicContact CE1-CD1 3.92Å; F15-Y23 AromaticContact CE1-CE1 3.95Å; F15-Y23 HydrophobicContact CE1-CE1 3.95Å; F15-Y23 AromaticContact CZ-CD1 3.83Å; F15-Y23 HydrophobicContact CZ-CD1 3.83Å; F15-Y23 AromaticContact CZ-CE1 3.64Å; F15-Y23 HydrophobicContact CZ-CE1 3.64Å; A17-Y23 HydrophobicContact CB-CE2 4.44Å; P18-Y23 WeakPolarHBondContact CD-OH 3.35Å; R19-Y23 PolarHBondContact O-OH 2.96Å; G21-Y23 WeakPolarHBondContact O-CD2 3.46Å; Y23-L69 CarbonylContact O-C 3.55Å; Y23-L69 VanDerWaalsContact O-CA 3.32Å; Y23-L69 WeakPolarHBondContact O-CA 3.37Å; Y23-L70 PolarHBondContact N-O 2.94Å; Y23-L70 PolarHBondContact O-N 2.88Å; Y23-L72 HydrophobicContact CD1-CD1 4.45Å; Y23-L72 HydrophobicContact CD2-CB 3.69Å; Y23-L72 HydrophobicContact CD2-CD1 3.59Å; Y23-L72 HydrophobicContact CD2-CG 3.71Å; Y23-L72 HydrophobicContact CE2-CB 3.78Å; Y23-L72 HydrophobicContact CE2-CD1 4.13Å; Y23-L72 HydrophobicContact CE2-CG 4.28Å; Y23-L72 HydrophobicContact CG-CD1 3.77Å; Y23-L72 HydrophobicContact CG-CG 4.3Å; Y23-F99 CarbonylContact C-O 3.57Å; Y23-F99 VanDerWaalsContact CA-O 3.32Å; Y23-F99 WeakPolarHBondContact CA-O 3.34Å; Y23-L100 HydrophobicContact CD1-CB 3.98Å; Y23-L100 HydrophobicContact CD1-CD1 4.17Å; Y23-L100 HydrophobicContact CD2-CD1 4.22Å; Y23-L100 HydrophobicContact CE1-CB 3.7Å; Y23-L100 HydrophobicContact CE1-CD1 3.73Å; Y23-L100 HydrophobicContact CE1-CG 4.27Å; Y23-L100 HydrophobicContact CE2-CD1 3.81Å; Y23-L100 HydrophobicContact CG-CD1 4.4Å
24S98.8Very high94.2Very high29 Ų2935.9 Ų35.920%0.20317%0.174CC..EExtended strand (participates in β ladder)trans-98.9135.8171.7-174.30000109.9G98 F99S24-G98 CarbonylContact O-C 3.59Å; S24-G98 WeakPolarHBondContact O-CA 3.4Å; S24-F99 PolarHBondContact N-O 3.04Å; S24-F99 PolarHBondContact O-N 2.82Å
25F98.8Very high93.1Very high4 Ų437.6 Ų37.62%0.01819%0.187CC..EExtended strand (participates in β ladder)trans-128.5140.8171.4-64.1-81.5000110.6F15 L42 G67 V68 L70 L72 V78 F96 S97F15-F25 HydrophobicContact CB-CE1 4.27Å; F15-F25 AromaticContact CD1-CE1 3.87Å; F15-F25 HydrophobicContact CD1-CE1 3.87Å; F15-F25 AromaticContact CD1-CZ 3.58Å; F15-F25 HydrophobicContact CD1-CZ 3.58Å; F15-F25 HydrophobicContact CE1-CE1 4.42Å; F15-F25 AromaticContact CE1-CZ 3.88Å; F15-F25 HydrophobicContact CE1-CZ 3.88Å; F15-F25 HydrophobicContact CG-CE1 4.05Å; F15-F25 HydrophobicContact CG-CZ 4.24Å; F25-L42 HydrophobicContact CB-CD1 4.43Å; F25-L42 HydrophobicContact CB-CD2 3.97Å; F25-L42 HydrophobicContact CD2-CD2 4.48Å; F25-L42 HydrophobicContact CG-CD2 4.38Å; F25-G67 CarbonylContact O-C 3.55Å; F25-G67 WeakPolarHBondContact O-CA 3.38Å; F25-V68 PolarHBondContact N-O 2.9Å; F25-V68 PolarHBondContact O-N 2.84Å; F25-L70 HydrophobicContact CD2-CD1 4.03Å; F25-L70 HydrophobicContact CE2-CB 4.43Å; F25-L70 HydrophobicContact CE2-CD1 4.2Å; F25-L72 HydrophobicContact CE2-CD1 3.9Å; F25-L72 HydrophobicContact CZ-CD1 3.97Å; F25-V78 HydrophobicContact CD1-CG1 4.08Å; F25-V78 HydrophobicContact CD2-CG1 4.21Å; F25-V78 HydrophobicContact CE1-CB 4.16Å; F25-V78 HydrophobicContact CE1-CG1 3.93Å; F25-V78 HydrophobicContact CE2-CB 4.35Å; F25-V78 HydrophobicContact CE2-CG1 4.06Å; F25-V78 HydrophobicContact CE2-CG2 4.03Å; F25-V78 HydrophobicContact CG-CG1 4.22Å; F25-V78 HydrophobicContact CZ-CB 3.92Å; F25-V78 HydrophobicContact CZ-CG1 3.92Å; F25-V78 HydrophobicContact CZ-CG2 3.9Å; F25-F96 HydrophobicContact CB-CE2 4.43Å; F25-F96 AromaticContact CD1-CE2 3.89Å; F25-F96 HydrophobicContact CD1-CE2 3.89Å; F25-F96 HydrophobicContact CD1-CZ 4.08Å; F25-S97 WeakPolarHBondContact CA-O 3.18Å
26S98.6Very high92.4Very high41 Ų4140.6 Ų40.629%0.28720%0.202SC..EExtended strand (participates in β ladder)trans-138.6139.2172178.60000109.4S97S26-S97 PolarHBondContact N-O 2.77Å; S26-S97 PolarHBondContact O-N 2.81Å
27F98.6Very high92Very high0 Ų041.7 Ų41.70%021%0.209CC..EExtended strand (participates in β ladder)trans-138.8148.9175.269.8-91.3000112V29 V40 L42 I50 A52 T65 N66 L80 T95 F96F27-V29 HydrophobicContact CD2-CG2 4.22Å; F27-V40 HydrophobicContact CD2-CG1 4.3Å; F27-V40 HydrophobicContact CE2-CB 4.14Å; F27-V40 HydrophobicContact CE2-CG1 3.9Å; F27-L42 HydrophobicContact CE1-CB 4.1Å; F27-I50 HydrophobicContact CE1-CD1 3.84Å; F27-I50 HydrophobicContact CE1-CG1 4.3Å; F27-A52 HydrophobicContact CE2-CB 3.65Å; F27-A52 HydrophobicContact CZ-CB 3.71Å; F27-T65 WeakPolarHBondContact O-CA 3.4Å; F27-N66 WeakPolarHBondContact CD1-O 3.38Å; F27-N66 HydrophobicContact CE1-CB 3.81Å; F27-N66 HydrophobicContact CE2-CB 4.46Å; F27-N66 HydrophobicContact CZ-CB 3.71Å; F27-N66 PolarHBondContact N-O 2.93Å; F27-N66 PolarHBondContact O-N 2.82Å; F27-N66 VanDerWaalsContact O-N 3.16Å; F27-L80 HydrophobicContact CB-CD1 3.69Å; F27-L80 HydrophobicContact CB-CD2 3.94Å; F27-L80 HydrophobicContact CB-CG 4.43Å; F27-L80 HydrophobicContact CD1-CD2 3.67Å; F27-L80 HydrophobicContact CD2-CD1 4.33Å; F27-L80 HydrophobicContact CD2-CD2 4.16Å; F27-L80 HydrophobicContact CE1-CD2 4.15Å; F27-L80 HydrophobicContact CG-CD1 4.09Å; F27-L80 HydrophobicContact CG-CD2 3.66Å; F27-T95 WeakPolarHBondContact CA-O 3.49Å; F27-F96 HydrophobicContact CB-CD2 4.05Å
28H97.7Very high91.7Very high70 Ų7041.6 Ų41.632%0.32421%0.208SC..EExtended strand (participates in β ladder)trans-134.9105.4171.9-56.4-93.7000107.3T65 S94 T95H28-T65 WeakPolarHBondContact CE1-CG2 3.38Å; H28-T65 WeakPolarHBondContact ND1-CG2 3.34Å; H28-T65 PolarHBondContact ND1-OG1 3.44Å; H28-S94 CarbonylContact O-C 3.59Å; H28-S94 WeakPolarHBondContact O-CA 3.49Å; H28-S94 WeakPolarHBondContact O-CB 3.33Å; H28-T95 PolarHBondContact CD2-OG1 2.97Å; H28-T95 VanDerWaalsContact CD2-OG1 3.29Å; H28-T95 PolarHBondContact N-O 3.29Å; H28-T95 PolarHBondContact O-N 3.04Å
29V96.4Very high91.6Very high13 Ų1341.5 Ų41.58%0.07920%0.204CC..EExtended strand (participates in β ladder)trans-100.4112.2175.4177.40000109.1F27 I38 V40 A63 A64 L80 L87F27-V29 HydrophobicContact CD2-CG2 4.22Å; V29-I38 HydrophobicContact CG1-CD1 4.38Å; V29-V40 HydrophobicContact CB-CG2 3.99Å; V29-V40 HydrophobicContact CG1-CG2 4.02Å; V29-V40 HydrophobicContact CG2-CG1 3.95Å; V29-V40 HydrophobicContact CG2-CG2 4.18Å; V29-A63 CarbonylContact O-C 3.56Å; V29-A63 WeakPolarHBondContact O-CA 3.43Å; V29-A64 HydrophobicContact CB-CB 4.47Å; V29-A64 PolarHBondContact N-O 2.9Å; V29-A64 PolarHBondContact O-N 3.24Å; V29-L80 HydrophobicContact CG2-CD1 4.03Å; V29-L87 HydrophobicContact CG1-CD1 4.43Å; V29-L87 HydrophobicContact CG1-CD2 4.24Å
30I92.3Very high91.6Very high38 Ų3835.7 Ų35.720%0.19518%0.182CC..EExtended strand (participates in β ladder)trans-91.5125.5-179.3-64.8169000108.1V32 E62 A63 W91 S94I30-V32 HydrophobicContact CG2-CG2 3.97Å; I30-E62 WeakPolarHBondContact CA-O 3.49Å; I30-A63 HydrophobicContact CG1-CB 4.04Å; I30-W91 WeakPolarHBondContact O-CA 3.47Å; I30-W91 WeakPolarHBondContact O-CB 3.32Å; I30-S94 PolarHBondContact N-OG 2.73Å
31K87.3Confident91.6Very high1 Ų132 Ų320%0.00417%0.167CC..EExtended strand (participates in β ladder)trans-95.3138164.662.1166.6-176.5158.90109.6Q34 Q36 I38 E62 L87K31-Q34 HydrophobicContact CD-CB 4.38Å; K31-Q34 WeakPolarHBondContact CE-O 3.43Å; K31-Q34 PolarHBondContact NZ-O 2.98Å; K31-Q36 PolarHBondContact NZ-O 3.31Å; K31-I38 HydrophobicContact CB-CD1 4.09Å; K31-I38 HydrophobicContact CD-CD1 4.37Å; K31-I38 HydrophobicContact CD-CG1 4.26Å; K31-I38 HydrophobicContact CD-CG2 4.43Å; K31-I38 HydrophobicContact CG-CD1 4.28Å; K31-E62 WeakPolarHBondContact CE-OE2 3.16Å; K31-E62 HydrophobicContact CG-CB 4.31Å; K31-E62 PolarHBondContact N-O 2.83Å; K31-E62 IonicContact NZ-OE2 2.79Å; K31-E62 PolarHBondContact NZ-OE2 2.71Å; K31-E62 PolarHBondContact O-N 3.23Å; K31-L87 HydrophobicContact CB-CD2 4.25Å
32V82Confident91.6Very high12 Ų1232 Ų327%0.07317%0.167CC..  trans-116.3121.2-175.4-179.80000109.3I30 G90I30-V32 HydrophobicContact CG2-CG2 3.97Å; V32-G90 PolarHBondContact N-O 2.94Å
33Y70.1Confident91.6Very high147 Ų14730.8 Ų30.858%0.57616%0.16SC*.SBendtrans57.551.2177.7-56.1-65.5000114.6V59 R61Y33-V59 HydrophobicContact CD1-CG1 4.1Å; Y33-R61 PolarHBondContact OH-NH2 3.15Å
34Q69.9Low91.6Very high19 Ų1932.3 Ų32.39%0.08917%0.169CC..  trans-142.5129.8-179.9-171.8156.9-69.700114.1K31 Q36 N86 V88K31-Q34 HydrophobicContact CD-CB 4.38Å; K31-Q34 WeakPolarHBondContact CE-O 3.43Å; K31-Q34 PolarHBondContact NZ-O 2.98Å; Q34-Q36 HydrophobicContact CG-CB 4.09Å; Q34-N86 VanDerWaalsContact CD-OD1 3.29Å; Q34-N86 PolarHBondContact NE2-O 2.94Å; Q34-N86 PolarHBondContact NE2-OD1 2.84Å; Q34-N86 PolarHBondContact OE1-OD1 2.96Å; Q34-V88 PolarHBondContact OE1-O 2.74Å
35S76.6Confident91.5Very high63 Ų6334.8 Ų34.844%0.44118%0.18SC..  trans-86.4-11177.655.60000114.1D56 K57S35-D56 CarbonylContact C-O 3.48Å; S35-K57 WeakPolarHBondContact CB-O 3.29Å
36Q84Confident91.5Very high89 Ų8936.7 Ų36.742%0.41620%0.2SC..SBendtrans-74.2134.6176-168.2173.461.300110.6K31 Q34 I38 G85 N86K31-Q36 PolarHBondContact NZ-O 3.31Å; Q34-Q36 HydrophobicContact CG-CB 4.09Å; Q36-I38 PolarHBondContact O-N 3.43Å; Q36-G85 VanDerWaalsContact OE1-CA 3.22Å; Q36-N86 PolarHBondContact OE1-ND2 2.82Å
37T89.4Confident91.5Very high65 Ų6542.1 Ų42.140%0.39922%0.219SC..  trans-66.2129.7169.3-49.50000110.4A54T37-A54 CarbonylContact C-O 3.57Å; T37-A54 VanDerWaalsContact CA-O 3.32Å; T37-A54 WeakPolarHBondContact CA-O 3.08Å
38I93.5Very high91.5Very high0 Ų045.9 Ų45.90%024%0.243CC..EExtended strand (participates in β ladder)trans-105.6151.117262.2167.4000111.1V29 K31 Q36 V40 F53 A54 A64 L82 K84 N86 L87V29-I38 HydrophobicContact CG1-CD1 4.38Å; K31-I38 HydrophobicContact CB-CD1 4.09Å; K31-I38 HydrophobicContact CD-CD1 4.37Å; K31-I38 HydrophobicContact CD-CG1 4.26Å; K31-I38 HydrophobicContact CD-CG2 4.43Å; K31-I38 HydrophobicContact CG-CD1 4.28Å; Q36-I38 PolarHBondContact O-N 3.43Å; I38-V40 HydrophobicContact CD1-CG2 4.26Å; I38-F53 WeakPolarHBondContact O-CA 3.13Å; I38-A54 HydrophobicContact CD1-CB 4.17Å; I38-A54 HydrophobicContact CG1-CB 3.8Å; I38-A54 PolarHBondContact N-O 2.83Å; I38-A54 PolarHBondContact O-N 3.3Å; I38-A54 VanDerWaalsContact O-N 3.16Å; I38-A64 HydrophobicContact CD1-CB 4.24Å; I38-L82 HydrophobicContact CB-CD1 3.93Å; I38-L82 HydrophobicContact CG2-CD1 4.22Å; I38-K84 WeakPolarHBondContact CA-O 3.42Å; I38-N86 VanDerWaalsContact CG2-O 3.31Å; I38-N86 WeakPolarHBondContact CG2-O 3.47Å; I38-L87 HydrophobicContact CD1-CD2 3.97Å; I38-L87 HydrophobicContact CG2-CD2 4.44Å
39Q96Very high91.5Very high39 Ų3945.4 Ų45.418%0.18225%0.245CC..EExtended strand (participates in β ladder)trans-125.4121.7167.2179.9-176.3-16.800109.1N41 A52 F53 E83 K84Q39-N41 WeakPolarHBondContact CG-OD1 3.44Å; Q39-N41 PolarHBondContact NE2-OD1 3.48Å; Q39-A52 WeakPolarHBondContact CA-O 3.24Å; Q39-F53 HydrophobicContact CB-CD1 3.8Å; Q39-F53 HydrophobicContact CB-CE1 3.7Å; Q39-F53 VanDerWaalsContact CD-CE1 3.45Å; Q39-F53 HydrophobicContact CG-CD1 3.9Å; Q39-F53 HydrophobicContact CG-CE1 3.42Å; Q39-F53 VanDerWaalsContact CG-CE1 3.42Å; Q39-F53 HydrophobicContact CG-CZ 3.87Å; Q39-E83 HydrophobicContact CG-CB 4.35Å; Q39-E83 PolarHBondContact O-N 3.16Å; Q39-K84 HydrophobicContact CB-CB 3.79Å; Q39-K84 PolarHBondContact N-O 2.85Å; Q39-K84 PolarHBondContact O-N 2.84Å
40V97.9Very high91.6Very high4 Ų446.2 Ų46.22%0.02425%0.248CC..EExtended strand (participates in β ladder)trans-113.1128.2176.2-178.70000109F27 V29 I38 S51 A52 A64 L80 K81 L82F27-V40 HydrophobicContact CD2-CG1 4.3Å; F27-V40 HydrophobicContact CE2-CB 4.14Å; F27-V40 HydrophobicContact CE2-CG1 3.9Å; V29-V40 HydrophobicContact CB-CG2 3.99Å; V29-V40 HydrophobicContact CG1-CG2 4.02Å; V29-V40 HydrophobicContact CG2-CG1 3.95Å; V29-V40 HydrophobicContact CG2-CG2 4.18Å; I38-V40 HydrophobicContact CD1-CG2 4.26Å; V40-S51 CarbonylContact O-C 3.55Å; V40-S51 WeakPolarHBondContact O-CA 3.21Å; V40-A52 PolarHBondContact N-O 3.01Å; V40-A52 PolarHBondContact O-N 2.92Å; V40-A64 HydrophobicContact CB-CB 4.4Å; V40-A64 HydrophobicContact CG2-CB 4.18Å; V40-L80 HydrophobicContact CG1-CB 4.24Å; V40-L80 HydrophobicContact CG1-CD2 4.36Å; V40-K81 WeakPolarHBondContact CA-O 3.32Å; V40-L82 HydrophobicContact CG2-CD1 3.94Å
41N98.6Very high91.9Very high4 Ų446.3 Ų46.32%0.02125%0.253CS..EExtended strand (participates in β ladder)trans-108.8138.2178.4-62.3-9.4000110Q39 M43 P48 I50 S51 L80 K81 E83Q39-N41 WeakPolarHBondContact CG-OD1 3.44Å; Q39-N41 PolarHBondContact NE2-OD1 3.48Å; N41-M43 HydrophobicContact CB-SD 3.63Å; N41-P48 HydrophobicContact CB-CB 4.15Å; N41-I50 WeakPolarHBondContact CA-O 3.41Å; N41-S51 WeakPolarHBondContact OD1-CB 3.12Å; N41-S51 PolarHBondContact OD1-OG 3.12Å; N41-L80 CarbonylContact O-C 3.55Å; N41-L80 WeakPolarHBondContact O-CA 3.06Å; N41-K81 PolarHBondContact N-O 3.4Å; N41-K81 PolarHBondContact O-N 2.84Å; N41-E83 WeakPolarHBondContact ND2-CB 3.35Å
42L98.8Very high92.3Very high1 Ų146.6 Ų46.61%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-80.9119.8158.2-172.475.2000108F25 F27 V49 I50 V68 L70 V78 L80 F96F25-L42 HydrophobicContact CB-CD1 4.43Å; F25-L42 HydrophobicContact CB-CD2 3.97Å; F25-L42 HydrophobicContact CD2-CD2 4.48Å; F25-L42 HydrophobicContact CG-CD2 4.38Å; F27-L42 HydrophobicContact CE1-CB 4.1Å; L42-V49 PolarHBondContact O-N 3.34Å; L42-I50 HydrophobicContact CB-CD1 4.3Å; L42-I50 HydrophobicContact CB-CG1 3.64Å; L42-I50 HydrophobicContact CD2-CD1 4.24Å; L42-I50 HydrophobicContact CD2-CG1 4.06Å; L42-I50 PolarHBondContact N-O 2.94Å; L42-V68 HydrophobicContact CD2-CG1 3.48Å; L42-V68 VanDerWaalsContact CD2-CG1 3.48Å; L42-L70 HydrophobicContact CD2-CD1 4.03Å; L42-V78 HydrophobicContact CD1-CG1 3.55Å; L42-V78 HydrophobicContact CD2-CG1 4.27Å; L42-V78 HydrophobicContact CG-CG1 3.92Å; L42-L80 HydrophobicContact CB-CD2 4.29Å; L42-L80 HydrophobicContact CD1-CD2 3.66Å; L42-F96 HydrophobicContact CD1-CE2 3.75Å; L42-F96 HydrophobicContact CD1-CZ 3.94Å
43M98.8Very high92.9Very high5 Ų552 Ų523%0.02528%0.278CS..EExtended strand (participates in β ladder)trans-98.6137.5-177.3-53.5-59.6-69.500109.7N41 G46 K47 P48 V78 Y79 K81N41-M43 HydrophobicContact CB-SD 3.63Å; M43-G46 VanDerWaalsContact CE-C 3.49Å; M43-G46 WeakPolarHBondContact CE-O 3.34Å; M43-K47 CarbonylContact C-O 3.58Å; M43-K47 WeakPolarHBondContact CA-O 3.4Å; M43-P48 HydrophobicContact SD-CB 4.07Å; M43-V78 VanDerWaalsContact O-CA 3.26Å; M43-V78 WeakPolarHBondContact O-CA 3.47Å; M43-Y79 HydrophobicContact CB-CD1 4.08Å; M43-Y79 HydrophobicContact CB-CD2 4.01Å; M43-Y79 HydrophobicContact CB-CE1 3.78Å; M43-Y79 HydrophobicContact CB-CE2 3.72Å; M43-Y79 HydrophobicContact CB-CG 4.19Å; M43-Y79 WeakPolarHBondContact CB-O 3.33Å; M43-Y79 HydrophobicContact CG-CD2 4.01Å; M43-Y79 HydrophobicContact CG-CE2 3.63Å; M43-Y79 PolarHBondContact N-O 2.79Å; M43-Y79 PolarHBondContact O-N 2.87Å; M43-K81 HydrophobicContact CE-CD 4.16Å; M43-K81 HydrophobicContact CG-CB 3.57Å; M43-K81 HydrophobicContact SD-CB 3.93Å; M43-K81 HydrophobicContact SD-CD 4.27Å
44L98.8Very high93.8Very high35 Ų3545.3 Ų45.318%0.18325%0.253CS..EExtended strand (participates in β ladder)trans-118.7114.9165.3172.356.7000107.9G46 K47 V49 L72 D76 K77 V78L44-G46 PolarHBondContact O-N 2.69Å; L44-G46 VanDerWaalsContact O-N 3.16Å; L44-K47 PolarHBondContact N-O 2.97Å; L44-K47 PolarHBondContact O-N 3.35Å; L44-V49 HydrophobicContact CB-CG2 3.48Å; L44-V49 VanDerWaalsContact CB-CG2 3.48Å; L44-V49 HydrophobicContact CD2-CG2 4.42Å; L44-L72 HydrophobicContact CD1-CD2 3.47Å; L44-L72 VanDerWaalsContact CD1-CD2 3.47Å; L44-L72 HydrophobicContact CD2-CD2 4.09Å; L44-L72 HydrophobicContact CG-CD2 4.42Å; L44-D76 HydrophobicContact CD1-CB 3.93Å; L44-K77 WeakPolarHBondContact CA-O 3.48Å; L44-V78 HydrophobicContact CD1-CG2 4.08Å
45N98.4Very high94.4Very high81 Ų8146.2 Ų46.243%0.43327%0.267SS..THydrogen-bonded Turntrans5042.8178.4-62.4-28.4000113.7K47 D76 K77N45-K47 VanDerWaalsContact C-N 3.3Å; N45-K47 PolarHBondContact O-N 3.16Å; N45-D76 PolarHBondContact ND2-OD1 2.92Å; N45-K77 PolarHBondContact N-O 3.16Å; N45-K77 PolarHBondContact OD1-N 3.16Å
46G98.1Very high94.1Very high43 Ų4346.4 Ų46.444%0.44326%0.263SS..THydrogen-bonded Turntrans81.6-2-179.800000115.5M43 L44 Y79M43-G46 VanDerWaalsContact CE-C 3.49Å; M43-G46 WeakPolarHBondContact CE-O 3.34Å; L44-G46 PolarHBondContact O-N 2.69Å; L44-G46 VanDerWaalsContact O-N 3.16Å; G46-Y79 WeakPolarHBondContact CA-OH 2.77Å
47K98.4Very high93.1Very high156 Ų15651.1 Ų51.168%0.67828%0.282SS*.EExtended strand (participates in β ladder)trans-106.1136.9176.4-62.3179.9-177.7176.70111.3M43 L44 N45M43-K47 CarbonylContact C-O 3.58Å; M43-K47 WeakPolarHBondContact CA-O 3.4Å; L44-K47 PolarHBondContact N-O 2.97Å; L44-K47 PolarHBondContact O-N 3.35Å; N45-K47 VanDerWaalsContact C-N 3.3Å; N45-K47 PolarHBondContact O-N 3.16Å
48P98.3Very high92.1Very high79 Ų7953.4 Ų53.451%0.51329%0.292SS..EExtended strand (participates in β ladder)trans-71.2135.4175.730.3-33.8000110.7N41 M43N41-P48 HydrophobicContact CB-CB 4.15Å; M43-P48 HydrophobicContact SD-CB 4.07Å
49V98.3Very high90.8Very high60 Ų6058 Ų5836%0.36432%0.32SS..EExtended strand (participates in β ladder)trans-104.4-55.5176.8-179.80000110.6L42 L44 L70L42-V49 PolarHBondContact O-N 3.34Å; L44-V49 HydrophobicContact CB-CG2 3.48Å; L44-V49 VanDerWaalsContact CB-CG2 3.48Å; L44-V49 HydrophobicContact CD2-CG2 4.42Å; V49-L70 HydrophobicContact CG1-CD2 3.61Å; V49-L70 HydrophobicContact CG2-CD1 4.49Å; V49-L70 HydrophobicContact CG2-CD2 4.41Å
50I98.3Very high89.6Confident29 Ų2958.1 Ų58.115%0.14932%0.323CS..EExtended strand (participates in β ladder)trans-132.2150.117755.6160.5000109.5F27 N41 L42 N66 V68F27-I50 HydrophobicContact CE1-CD1 3.84Å; F27-I50 HydrophobicContact CE1-CG1 4.3Å; N41-I50 WeakPolarHBondContact CA-O 3.41Å; L42-I50 HydrophobicContact CB-CD1 4.3Å; L42-I50 HydrophobicContact CB-CG1 3.64Å; L42-I50 HydrophobicContact CD2-CD1 4.24Å; L42-I50 HydrophobicContact CD2-CG1 4.06Å; L42-I50 PolarHBondContact N-O 2.94Å; I50-N66 HydrophobicContact CD1-CB 3.91Å; I50-V68 HydrophobicContact CD1-CB 3.83Å; I50-V68 HydrophobicContact CD1-CG1 3.6Å; I50-V68 HydrophobicContact CG1-CB 4.37Å; I50-V68 HydrophobicContact CG1-CG1 3.94Å; I50-V68 HydrophobicContact CG2-CB 4.13Å; I50-V68 HydrophobicContact CG2-CG1 4.4Å; I50-V68 HydrophobicContact CG2-CG2 4.24Å
51S97.9Very high88.6Confident41 Ų4165 Ų6529%0.28735%0.349SS..EExtended strand (participates in β ladder)trans-123.6150.2180-51.90000110.1V40 N41 N66V40-S51 CarbonylContact O-C 3.55Å; V40-S51 WeakPolarHBondContact O-CA 3.21Å; N41-S51 WeakPolarHBondContact OD1-CB 3.12Å; N41-S51 PolarHBondContact OD1-OG 3.12Å; S51-N66 PolarHBondContact O-ND2 2.92Å
52A97.2Very high88Confident7 Ų767 Ų676%0.05836%0.358CS..EExtended strand (participates in β ladder)trans-131.5148.4168.800000109.6F27 Q39 V40 A64 N66F27-A52 HydrophobicContact CE2-CB 3.65Å; F27-A52 HydrophobicContact CZ-CB 3.71Å; Q39-A52 WeakPolarHBondContact CA-O 3.24Å; V40-A52 PolarHBondContact N-O 3.01Å; V40-A52 PolarHBondContact O-N 2.92Å; A52-A64 HydrophobicContact CB-CB 3.84Å; A52-N66 HydrophobicContact CB-CB 3.97Å
53F93.8Very high87.5Confident126 Ų12669.3 Ų69.355%0.55338%0.377SS*.EExtended strand (participates in β ladder)trans-122146.3-179.2-58.5-92.6000109.7I38 Q39I38-F53 WeakPolarHBondContact O-CA 3.13Å; Q39-F53 HydrophobicContact CB-CD1 3.8Å; Q39-F53 HydrophobicContact CB-CE1 3.7Å; Q39-F53 VanDerWaalsContact CD-CE1 3.45Å; Q39-F53 HydrophobicContact CG-CD1 3.9Å; Q39-F53 HydrophobicContact CG-CE1 3.42Å; Q39-F53 VanDerWaalsContact CG-CE1 3.42Å; Q39-F53 HydrophobicContact CG-CZ 3.87Å
54A89.6Confident87.3Confident6 Ų669 Ų695%0.0538%0.376CS..EExtended strand (participates in β ladder)trans-139.912316800000108.2T37 I38 E62 A64T37-A54 CarbonylContact C-O 3.57Å; T37-A54 VanDerWaalsContact CA-O 3.32Å; T37-A54 WeakPolarHBondContact CA-O 3.08Å; I38-A54 HydrophobicContact CD1-CB 4.17Å; I38-A54 HydrophobicContact CG1-CB 3.8Å; I38-A54 PolarHBondContact N-O 2.83Å; I38-A54 PolarHBondContact O-N 3.3Å; I38-A54 VanDerWaalsContact O-N 3.16Å; A54-E62 HydrophobicContact CB-CB 3.82Å; A54-A64 HydrophobicContact CB-CB 4.01Å
55G82.4Confident87.2Confident37 Ų3770.6 Ų70.638%0.38139%0.387SS..  trans-171.7104.8-175.400000113.9E62G55-E62 WeakPolarHBondContact CA-OE2 3.26Å; G55-E62 PolarHBondContact N-OE2 2.84Å
56D70.2Confident87.2Confident67 Ų6769.6 Ų69.636%0.35838%0.381SS..  trans-106.2152159.1-153.5-21.6000110.6S35 T60 E62S35-D56 CarbonylContact C-O 3.48Å; D56-T60 HydrophobicContact CB-CG2 4.32Å; D56-T60 WeakPolarHBondContact CB-OG1 3.34Å; D56-E62 WeakPolarHBondContact CB-OE1 3.41Å; D56-E62 VanDerWaalsContact N-CD 3.25Å; D56-E62 PolarHBondContact N-OE1 2.94Å; D56-E62 VanDerWaalsContact N-OE1 3.16Å; D56-E62 PolarHBondContact N-OE2 2.93Å
57K62Low87.2Confident189 Ų18969.3 Ų69.382%0.82238%0.378SS*.SBendtrans-69.7-27.1174.4-69.2-177.8-179.7175.70111.6S35S35-K57 WeakPolarHBondContact CB-O 3.29Å
58D69.5Low87.2Confident113 Ų11363.7 Ų63.760%0.60436%0.357SS*.SBendtrans-86.7160.9176.8-67.2-33.3000112.2T60D58-T60 VanDerWaalsContact C-N 3.34Å; D58-T60 HydrophobicContact CB-CG2 4.15Å; D58-T60 PolarHBondContact O-N 2.68Å
59V66.5Low87.2Confident96 Ų9665.1 Ų65.158%0.58236%0.36SS*.SBendtrans-75.987.9177.8-177.50000109.2Y33Y33-V59 HydrophobicContact CD1-CG1 4.1Å
60T69.9Low87.2Confident42 Ų4263 Ų6326%0.25835%0.346SS..  trans-116.5168.9-178.560.30000111.8D56 D58 E62D56-T60 HydrophobicContact CB-CG2 4.32Å; D56-T60 WeakPolarHBondContact CB-OG1 3.34Å; D58-T60 VanDerWaalsContact C-N 3.34Å; D58-T60 HydrophobicContact CB-CG2 4.15Å; D58-T60 PolarHBondContact O-N 2.68Å; T60-E62 WeakPolarHBondContact OG1-CG 3.22Å
61R77.9Confident87.3Confident148 Ų14866.9 Ų66.956%0.55836%0.36SS*.  trans-97.5119.1166.4-70.4-176.1-179.3-175.81.6107.6Y33Y33-R61 PolarHBondContact OH-NH2 3.15Å
62E85.1Confident87.3Confident47 Ų4765 Ų6522%0.2235%0.346CS..EExtended strand (participates in β ladder)trans-133.6153.9-178-61.8-177.6113.100110.7I30 K31 A54 G55 D56 T60I30-E62 WeakPolarHBondContact CA-O 3.49Å; K31-E62 WeakPolarHBondContact CE-OE2 3.16Å; K31-E62 HydrophobicContact CG-CB 4.31Å; K31-E62 PolarHBondContact N-O 2.83Å; K31-E62 IonicContact NZ-OE2 2.79Å; K31-E62 PolarHBondContact NZ-OE2 2.71Å; K31-E62 PolarHBondContact O-N 3.23Å; A54-E62 HydrophobicContact CB-CB 3.82Å; G55-E62 WeakPolarHBondContact CA-OE2 3.26Å; G55-E62 PolarHBondContact N-OE2 2.84Å; D56-E62 WeakPolarHBondContact CB-OE1 3.41Å; D56-E62 VanDerWaalsContact N-CD 3.25Å; D56-E62 PolarHBondContact N-OE1 2.94Å; D56-E62 VanDerWaalsContact N-OE1 3.16Å; D56-E62 PolarHBondContact N-OE2 2.93Å; T60-E62 WeakPolarHBondContact OG1-CG 3.22Å
63A88.4Confident87.4Confident48 Ų4868 Ų6840%0.39736%0.362SS..EExtended strand (participates in β ladder)trans-120.5120.9-178.400000111.2V29 I30 T65V29-A63 CarbonylContact O-C 3.56Å; V29-A63 WeakPolarHBondContact O-CA 3.43Å; I30-A63 HydrophobicContact CG1-CB 4.04Å; A63-T65 PolarHBondContact O-N 3.16Å
64A94Very high87.6Confident0 Ų068.5 Ų68.50%036%0.364CS..EExtended strand (participates in β ladder)trans-78.8101.2165.400000107.5V29 I38 V40 A52 A54V29-A64 HydrophobicContact CB-CB 4.47Å; V29-A64 PolarHBondContact N-O 2.9Å; V29-A64 PolarHBondContact O-N 3.24Å; I38-A64 HydrophobicContact CD1-CB 4.24Å; V40-A64 HydrophobicContact CB-CB 4.4Å; V40-A64 HydrophobicContact CG2-CB 4.18Å; A52-A64 HydrophobicContact CB-CB 3.84Å; A54-A64 HydrophobicContact CB-CB 4.01Å
65T97Very high88Confident68 Ų6874.4 Ų74.442%0.41739%0.39SS..EExtended strand (participates in β ladder)trans-115.9130.2-173.2-64.10000111.1F27 H28 A63F27-T65 WeakPolarHBondContact O-CA 3.4Å; H28-T65 WeakPolarHBondContact CE1-CG2 3.38Å; H28-T65 WeakPolarHBondContact ND1-CG2 3.34Å; H28-T65 PolarHBondContact ND1-OG1 3.44Å; A63-T65 PolarHBondContact O-N 3.16Å
66N98.2Very high88.8Confident59 Ų5974 Ų7432%0.31638%0.379SS..EExtended strand (participates in β ladder)trans-159.5170168.8-155.5-15.2000111.2F27 I50 S51 A52F27-N66 WeakPolarHBondContact CD1-O 3.38Å; F27-N66 HydrophobicContact CE1-CB 3.81Å; F27-N66 HydrophobicContact CE2-CB 4.46Å; F27-N66 HydrophobicContact CZ-CB 3.71Å; F27-N66 PolarHBondContact N-O 2.93Å; F27-N66 PolarHBondContact O-N 2.82Å; F27-N66 VanDerWaalsContact O-N 3.16Å; I50-N66 HydrophobicContact CD1-CB 3.91Å; S51-N66 PolarHBondContact O-ND2 2.92Å; A52-N66 HydrophobicContact CB-CB 3.97Å
67G98.3Very high90.2Very high37 Ų3776 Ų7638%0.38139%0.385SS..EExtended strand (participates in β ladder)trans-16115617700000112.6F25F25-G67 CarbonylContact O-C 3.55Å; F25-G67 WeakPolarHBondContact O-CA 3.38Å
68V98.7Very high91.9Very high38 Ų3867 Ų6723%0.2335%0.346CS..EExtended strand (participates in β ladder)trans-156.3154.9-173.763.10000111.9F25 L42 I50 L70F25-V68 PolarHBondContact N-O 2.9Å; F25-V68 PolarHBondContact O-N 2.84Å; L42-V68 HydrophobicContact CD2-CG1 3.48Å; L42-V68 VanDerWaalsContact CD2-CG1 3.48Å; I50-V68 HydrophobicContact CD1-CB 3.83Å; I50-V68 HydrophobicContact CD1-CG1 3.6Å; I50-V68 HydrophobicContact CG1-CB 4.37Å; I50-V68 HydrophobicContact CG1-CG1 3.94Å; I50-V68 HydrophobicContact CG2-CB 4.13Å; I50-V68 HydrophobicContact CG2-CG1 4.4Å; I50-V68 HydrophobicContact CG2-CG2 4.24Å; V68-L70 HydrophobicContact CG1-CD1 4.3Å; V68-L70 HydrophobicContact CG1-CG 4.01Å; V68-L70 HydrophobicContact CG2-CD2 4.39Å
69L98.7Very high93.3Very high109 Ų10964.7 Ų64.757%0.57133%0.329SS*.EExtended strand (participates in β ladder)trans-95.1128.1163.3-66-179.1000109.8I22 Y23 V101I22-L69 HydrophobicContact CG2-CB 4.19Å; I22-L69 HydrophobicContact CG2-CD2 4.38Å; Y23-L69 CarbonylContact O-C 3.55Å; Y23-L69 VanDerWaalsContact O-CA 3.32Å; Y23-L69 WeakPolarHBondContact O-CA 3.37Å; L69-V101 HydrophobicContact CD2-CG2 3.93Å
70L98.4Very high94.8Very high16 Ų1662.3 Ų62.38%0.08431%0.313CS..EExtended strand (participates in β ladder)trans-119.4134.8179.8-74.5178000111.1I22 Y23 F25 L42 V49 V68 L72 V78I22-L70 CarbonylContact C-O 3.47Å; I22-L70 WeakPolarHBondContact CA-O 3.42Å; Y23-L70 PolarHBondContact N-O 2.94Å; Y23-L70 PolarHBondContact O-N 2.88Å; F25-L70 HydrophobicContact CD2-CD1 4.03Å; F25-L70 HydrophobicContact CE2-CB 4.43Å; F25-L70 HydrophobicContact CE2-CD1 4.2Å; L42-L70 HydrophobicContact CD2-CD1 4.03Å; V49-L70 HydrophobicContact CG1-CD2 3.61Å; V49-L70 HydrophobicContact CG2-CD1 4.49Å; V49-L70 HydrophobicContact CG2-CD2 4.41Å; V68-L70 HydrophobicContact CG1-CD1 4.3Å; V68-L70 HydrophobicContact CG1-CG 4.01Å; V68-L70 HydrophobicContact CG2-CD2 4.39Å; L70-L72 HydrophobicContact CB-CD2 3.99Å; L70-L72 HydrophobicContact CB-CG 4.2Å; L70-L72 HydrophobicContact CD1-CD2 4.38Å; L70-V78 HydrophobicContact CD1-CG2 4.47Å
71Y98.6Very high96.2Very high111 Ų11164.5 Ų64.544%0.43532%0.319SS..EExtended strand (participates in β ladder)trans-76124.6158.1-178.9-80.4000108.5K20 I22 L104K20-Y71 WeakPolarHBondContact CE-OH 3.49Å; K20-Y71 PolarHBondContact NZ-OH 2.86Å; I22-Y71 HydrophobicContact CD1-CD2 3.9Å; I22-Y71 HydrophobicContact CD1-CG 4.33Å; Y71-L104 HydrophobicContact CD2-CD1 3.54Å; Y71-L104 HydrophobicContact CE2-CD1 3.31Å
72L98.8Very high97.1Very high0 Ų060.3 Ų60.30%031%0.307CS..EExtended strand (participates in β ladder)trans-125.1140.8175.8-57-178.7000110F15 A17 K20 G21 Y23 F25 L44 L70 D76 V78F15-L72 HydrophobicContact CD1-CD1 4.4Å; F15-L72 HydrophobicContact CE1-CD1 4.03Å; A17-L72 HydrophobicContact CB-CB 3.89Å; A17-L72 HydrophobicContact CB-CD1 3.95Å; K20-L72 VanDerWaalsContact CA-O 3.29Å; K20-L72 WeakPolarHBondContact CA-O 3.35Å; G21-L72 PolarHBondContact N-O 3.37Å; G21-L72 PolarHBondContact O-N 2.81Å; Y23-L72 HydrophobicContact CD1-CD1 4.45Å; Y23-L72 HydrophobicContact CD2-CB 3.69Å; Y23-L72 HydrophobicContact CD2-CD1 3.59Å; Y23-L72 HydrophobicContact CD2-CG 3.71Å; Y23-L72 HydrophobicContact CE2-CB 3.78Å; Y23-L72 HydrophobicContact CE2-CD1 4.13Å; Y23-L72 HydrophobicContact CE2-CG 4.28Å; Y23-L72 HydrophobicContact CG-CD1 3.77Å; Y23-L72 HydrophobicContact CG-CG 4.3Å; F25-L72 HydrophobicContact CE2-CD1 3.9Å; F25-L72 HydrophobicContact CZ-CD1 3.97Å; L44-L72 HydrophobicContact CD1-CD2 3.47Å; L44-L72 VanDerWaalsContact CD1-CD2 3.47Å; L44-L72 HydrophobicContact CD2-CD2 4.09Å; L44-L72 HydrophobicContact CG-CD2 4.42Å; L70-L72 HydrophobicContact CB-CD2 3.99Å; L70-L72 HydrophobicContact CB-CG 4.2Å; L70-L72 HydrophobicContact CD1-CD2 4.38Å; L72-D76 WeakPolarHBondContact CA-OD2 3.15Å; L72-D76 HydrophobicContact CB-CB 4.15Å; L72-D76 HydrophobicContact CD2-CB 4.11Å; L72-V78 HydrophobicContact CD1-CG2 3.78Å; L72-V78 HydrophobicContact CD2-CG2 3.93Å
73D98.8Very high97.6Very high71 Ų7162.5 Ų62.538%0.3832%0.317SS..  trans-87.8167.7164-78.1-55.3000110.5A17 K20 E75 D76A17-D73 WeakPolarHBondContact CB-O 3.41Å; K20-D73 WeakPolarHBondContact CE-OD1 3.43Å; K20-D73 IonicContact NZ-OD1 3.84Å; D73-E75 PolarHBondContact O-N 3Å; D73-D76 PolarHBondContact N-OD2 3.4Å; D73-D76 WeakPolarHBondContact O-CB 3.34Å; D73-D76 PolarHBondContact O-N 2.89Å
74K98.4Very high97.9Very high136 Ų13666.4 Ų66.459%0.59133%0.325SS*.THydrogen-bonded Turntrans-58.6138.3175.4-168-169.9173.3-1690109.4P18 D76P18-K74 WeakPolarHBondContact O-CG 3.45Å; K74-D76 PolarHBondContact O-N 2.79Å
75E98.4Very high97.8Very high130 Ų13067.9 Ų67.961%0.60734%0.34SS*.THydrogen-bonded Turntrans75.1-0.6178.9-43.5-171.415500115.9A17 D73 K77A17-E75 PolarHBondContact O-N 3.12Å; D73-E75 PolarHBondContact O-N 3Å; E75-K77 PolarHBondContact O-N 2.85Å
76D98.8Very high97.4Very high28 Ų2867.4 Ų67.415%0.1534%0.336CS..  trans-58.3137.8170.4-81.6-14.2000111.4V16 A17 L44 N45 L72 D73 K74V16-D76 CarbonylContact C-O 3.53Å; V16-D76 WeakPolarHBondContact CA-O 3.48Å; A17-D76 HydrophobicContact CB-CB 4.18Å; A17-D76 PolarHBondContact N-O 2.81Å; L44-D76 HydrophobicContact CD1-CB 3.93Å; N45-D76 PolarHBondContact ND2-OD1 2.92Å; L72-D76 WeakPolarHBondContact CA-OD2 3.15Å; L72-D76 HydrophobicContact CB-CB 4.15Å; L72-D76 HydrophobicContact CD2-CB 4.11Å; D73-D76 PolarHBondContact N-OD2 3.4Å; D73-D76 WeakPolarHBondContact O-CB 3.34Å; D73-D76 PolarHBondContact O-N 2.89Å; K74-D76 PolarHBondContact O-N 2.79Å
77K98.8Very high97Very high111 Ų11166.5 Ų66.548%0.48333%0.33SS..EExtended strand (participates in β ladder)trans-108.4123.8-175.4-61.5-177.4-176.4175.80110.8V14 F15 V16 L44 N45 E75V14-K77 HydrophobicContact CG1-CB 3.93Å; V14-K77 HydrophobicContact CG1-CG 4.3Å; F15-K77 CarbonylContact O-C 3.43Å; F15-K77 WeakPolarHBondContact O-CA 2.72Å; V16-K77 HydrophobicContact CG2-CG 4.39Å; L44-K77 WeakPolarHBondContact CA-O 3.48Å; N45-K77 PolarHBondContact N-O 3.16Å; N45-K77 PolarHBondContact OD1-N 3.16Å; E75-K77 PolarHBondContact O-N 2.85Å
78V98.8Very high96.4Very high0 Ų069.5 Ų69.50%034%0.341CS..EExtended strand (participates in β ladder)trans-119.1128.1176.9-175.40000110.6F15 F25 L42 M43 L44 L70 L72 F96F15-V78 HydrophobicContact CB-CB 4.37Å; F15-V78 HydrophobicContact CD1-CB 4.38Å; F15-V78 PolarHBondContact N-O 3.44Å; F15-V78 PolarHBondContact O-N 2.93Å; F25-V78 HydrophobicContact CD1-CG1 4.08Å; F25-V78 HydrophobicContact CD2-CG1 4.21Å; F25-V78 HydrophobicContact CE1-CB 4.16Å; F25-V78 HydrophobicContact CE1-CG1 3.93Å; F25-V78 HydrophobicContact CE2-CB 4.35Å; F25-V78 HydrophobicContact CE2-CG1 4.06Å; F25-V78 HydrophobicContact CE2-CG2 4.03Å; F25-V78 HydrophobicContact CG-CG1 4.22Å; F25-V78 HydrophobicContact CZ-CB 3.92Å; F25-V78 HydrophobicContact CZ-CG1 3.92Å; F25-V78 HydrophobicContact CZ-CG2 3.9Å; L42-V78 HydrophobicContact CD1-CG1 3.55Å; L42-V78 HydrophobicContact CD2-CG1 4.27Å; L42-V78 HydrophobicContact CG-CG1 3.92Å; M43-V78 VanDerWaalsContact O-CA 3.26Å; M43-V78 WeakPolarHBondContact O-CA 3.47Å; L44-V78 HydrophobicContact CD1-CG2 4.08Å; L70-V78 HydrophobicContact CD1-CG2 4.47Å; L72-V78 HydrophobicContact CD1-CG2 3.78Å; L72-V78 HydrophobicContact CD2-CG2 3.93Å; V78-F96 HydrophobicContact CG1-CZ 4.32Å
79Y98.8Very high95.7Very high63 Ų6370.7 Ų70.725%0.24736%0.361CS..EExtended strand (participates in β ladder)trans-157.1166.8-17959.6-83.2000111V14 M43 G46 K81V14-Y79 HydrophobicContact CG1-CD1 4.33Å; V14-Y79 HydrophobicContact CG2-CD1 4.5Å; V14-Y79 HydrophobicContact CG2-CG 4.36Å; M43-Y79 HydrophobicContact CB-CD1 4.08Å; M43-Y79 HydrophobicContact CB-CD2 4.01Å; M43-Y79 HydrophobicContact CB-CE1 3.78Å; M43-Y79 HydrophobicContact CB-CE2 3.72Å; M43-Y79 HydrophobicContact CB-CG 4.19Å; M43-Y79 WeakPolarHBondContact CB-O 3.33Å; M43-Y79 HydrophobicContact CG-CD2 4.01Å; M43-Y79 HydrophobicContact CG-CE2 3.63Å; M43-Y79 PolarHBondContact N-O 2.79Å; M43-Y79 PolarHBondContact O-N 2.87Å; G46-Y79 WeakPolarHBondContact CA-OH 2.77Å; Y79-K81 HydrophobicContact CE2-CB 4.4Å
80L98.6Very high95.2Very high47 Ų4766.6 Ų66.625%0.24635%0.345CS..EExtended strand (participates in β ladder)trans-94.3141.5174.4-60179000110.6F27 V29 V40 N41 L42 F96F27-L80 HydrophobicContact CB-CD1 3.69Å; F27-L80 HydrophobicContact CB-CD2 3.94Å; F27-L80 HydrophobicContact CB-CG 4.43Å; F27-L80 HydrophobicContact CD1-CD2 3.67Å; F27-L80 HydrophobicContact CD2-CD1 4.33Å; F27-L80 HydrophobicContact CD2-CD2 4.16Å; F27-L80 HydrophobicContact CE1-CD2 4.15Å; F27-L80 HydrophobicContact CG-CD1 4.09Å; F27-L80 HydrophobicContact CG-CD2 3.66Å; V29-L80 HydrophobicContact CG2-CD1 4.03Å; V40-L80 HydrophobicContact CG1-CB 4.24Å; V40-L80 HydrophobicContact CG1-CD2 4.36Å; N41-L80 CarbonylContact O-C 3.55Å; N41-L80 WeakPolarHBondContact O-CA 3.06Å; L42-L80 HydrophobicContact CB-CD2 4.29Å; L42-L80 HydrophobicContact CD1-CD2 3.66Å; L80-F96 HydrophobicContact CD1-CB 3.87Å; L80-F96 HydrophobicContact CD1-CD1 4.27Å; L80-F96 HydrophobicContact CD1-CD2 4.13Å; L80-F96 HydrophobicContact CD1-CG 3.84Å; L80-F96 HydrophobicContact CD2-CD2 4.38Å; L80-F96 HydrophobicContact CD2-CE2 4.37Å; L80-F96 HydrophobicContact CG-CD1 4.16Å; L80-F96 HydrophobicContact CG-CD2 4.18Å; L80-F96 HydrophobicContact CG-CE1 4.36Å; L80-F96 HydrophobicContact CG-CE2 4.4Å; L80-F96 HydrophobicContact CG-CG 4.07Å; L80-F96 HydrophobicContact CG-CZ 4.49Å
81K98.3Very high95Very high87 Ų8773.3 Ų73.338%0.37837%0.37SS..EExtended strand (participates in β ladder)trans-130.5130.7172.5-173.5-172.5174.9-149.20109.8V40 N41 M43 Y79 E83V40-K81 WeakPolarHBondContact CA-O 3.32Å; N41-K81 PolarHBondContact N-O 3.4Å; N41-K81 PolarHBondContact O-N 2.84Å; M43-K81 HydrophobicContact CE-CD 4.16Å; M43-K81 HydrophobicContact CG-CB 3.57Å; M43-K81 HydrophobicContact SD-CB 3.93Å; M43-K81 HydrophobicContact SD-CD 4.27Å; Y79-K81 HydrophobicContact CE2-CB 4.4Å; K81-E83 WeakPolarHBondContact CD-OE2 3.42Å; K81-E83 WeakPolarHBondContact CE-OE2 3.41Å; K81-E83 IonicContact NZ-OE1 3.72Å; K81-E83 IonicContact NZ-OE2 2.73Å; K81-E83 PolarHBondContact NZ-OE2 2.98Å; K81-E83 PolarHBondContact O-N 2.91Å
82L97.1Very high94.6Very high60 Ų6074 Ų7431%0.31438%0.377SS..EExtended strand (participates in β ladder)trans-76.8108.2166.4-17471.2000108.3I38 V40 K84 L87I38-L82 HydrophobicContact CB-CD1 3.93Å; I38-L82 HydrophobicContact CG2-CD1 4.22Å; V40-L82 HydrophobicContact CG2-CD1 3.94Å; L82-K84 WeakPolarHBondContact CD1-O 3.49Å; L82-L87 HydrophobicContact CD2-CD1 4.33Å; L82-L87 HydrophobicContact CD2-CG 4.02Å
83E96.4Very high94.4Very high94 Ų9481.1 Ų81.144%0.43941%0.405SS..EExtended strand (participates in β ladder)trans-88.3-34.9-177.3-168.564.5-160.400111.7Q39 N41 K81Q39-E83 HydrophobicContact CG-CB 4.35Å; Q39-E83 PolarHBondContact O-N 3.16Å; N41-E83 WeakPolarHBondContact ND2-CB 3.35Å; K81-E83 WeakPolarHBondContact CD-OE2 3.42Å; K81-E83 WeakPolarHBondContact CE-OE2 3.41Å; K81-E83 IonicContact NZ-OE1 3.72Å; K81-E83 IonicContact NZ-OE2 2.73Å; K81-E83 PolarHBondContact NZ-OE2 2.98Å; K81-E83 PolarHBondContact O-N 2.91Å
84K93.4Very high94.3Very high129 Ų12979.5 Ų79.556%0.56140%0.399SS*.EExtended strand (participates in β ladder)trans-136142.2179.3-169.7178.2177-179.30110.7I38 Q39 L82I38-K84 WeakPolarHBondContact CA-O 3.42Å; Q39-K84 HydrophobicContact CB-CB 3.79Å; Q39-K84 PolarHBondContact N-O 2.85Å; Q39-K84 PolarHBondContact O-N 2.84Å; L82-K84 WeakPolarHBondContact CD1-O 3.49Å
85G91.5Very high94.3Very high31 Ų3176.4 Ų76.432%0.3239%0.391SS..SBendtrans88.7-163.2177.600000112.8Q36Q36-G85 VanDerWaalsContact OE1-CA 3.22Å
86N89.5Confident94.3Very high59 Ų5972.6 Ų72.632%0.31637%0.373SS..  trans-139.6173.9175.568.867.9000109.7Q34 Q36 I38 V88Q34-N86 VanDerWaalsContact CD-OD1 3.29Å; Q34-N86 PolarHBondContact NE2-O 2.94Å; Q34-N86 PolarHBondContact NE2-OD1 2.84Å; Q34-N86 PolarHBondContact OE1-OD1 2.96Å; Q36-N86 PolarHBondContact OE1-ND2 2.82Å; I38-N86 VanDerWaalsContact CG2-O 3.31Å; I38-N86 WeakPolarHBondContact CG2-O 3.47Å; N86-V88 HydrophobicContact CB-CG2 4.43Å; N86-V88 VanDerWaalsContact OD1-CB 3.29Å; N86-V88 WeakPolarHBondContact OD1-CB 3.31Å; N86-V88 WeakPolarHBondContact OD1-CG2 3.43Å; N86-V88 PolarHBondContact OD1-N 3.43Å
87L89.1Confident94.3Very high39 Ų3974.7 Ų74.720%0.20439%0.39CS..  trans-12141.8175.5-63.5167.3000110.8V29 K31 I38 L82 G90 W91V29-L87 HydrophobicContact CG1-CD1 4.43Å; V29-L87 HydrophobicContact CG1-CD2 4.24Å; K31-L87 HydrophobicContact CB-CD2 4.25Å; I38-L87 HydrophobicContact CD1-CD2 3.97Å; I38-L87 HydrophobicContact CG2-CD2 4.44Å; L82-L87 HydrophobicContact CD2-CD1 4.33Å; L82-L87 HydrophobicContact CD2-CG 4.02Å; L87-G90 WeakPolarHBondContact O-CA 3.45Å; L87-G90 PolarHBondContact O-N 3.33Å; L87-W91 HydrophobicContact CB-CD2 4.47Å; L87-W91 HydrophobicContact CB-CE3 3.64Å; L87-W91 HydrophobicContact CB-CZ3 4.26Å; L87-W91 HydrophobicContact CD1-CB 4.08Å; L87-W91 HydrophobicContact CD1-CD2 4.13Å; L87-W91 HydrophobicContact CD1-CE3 4.02Å; L87-W91 HydrophobicContact CD1-CG 4.18Å; L87-W91 HydrophobicContact CD2-CB 4.36Å; L87-W91 HydrophobicContact CG-CE3 4.46Å
88V85.5Confident94.2Very high101 Ų10171.2 Ų71.261%0.61239%0.385SS*.THydrogen-bonded Turntrans-61.4139.8172.2174.60000108.6Q34 N86 G90Q34-V88 PolarHBondContact OE1-O 2.74Å; N86-V88 HydrophobicContact CB-CG2 4.43Å; N86-V88 VanDerWaalsContact OD1-CB 3.29Å; N86-V88 WeakPolarHBondContact OD1-CB 3.31Å; N86-V88 WeakPolarHBondContact OD1-CG2 3.43Å; N86-V88 PolarHBondContact OD1-N 3.43Å; V88-G90 VanDerWaalsContact C-N 3.25Å
89G84.9Confident94.2Very high62 Ų6277.2 Ų77.264%0.63941%0.412SS*.THydrogen-bonded Turntrans87.1-9.5-168.600000114.1
90G88.9Confident94.2Very high24 Ų2477.3 Ų77.325%0.24742%0.416CS..  trans91169.5174.200000113.5V32 L87 V88V32-G90 PolarHBondContact N-O 2.94Å; L87-G90 WeakPolarHBondContact O-CA 3.45Å; L87-G90 PolarHBondContact O-N 3.33Å; V88-G90 VanDerWaalsContact C-N 3.25Å
91W92.8Very high94.2Very high156 Ų15678.2 Ų78.259%0.59142%0.423SS*.  trans-126.335.3-177.258.992000111.6I30 L87 S94I30-W91 WeakPolarHBondContact O-CA 3.47Å; I30-W91 WeakPolarHBondContact O-CB 3.32Å; L87-W91 HydrophobicContact CB-CD2 4.47Å; L87-W91 HydrophobicContact CB-CE3 3.64Å; L87-W91 HydrophobicContact CB-CZ3 4.26Å; L87-W91 HydrophobicContact CD1-CB 4.08Å; L87-W91 HydrophobicContact CD1-CD2 4.13Å; L87-W91 HydrophobicContact CD1-CE3 4.02Å; L87-W91 HydrophobicContact CD1-CG 4.18Å; L87-W91 HydrophobicContact CD2-CB 4.36Å; L87-W91 HydrophobicContact CG-CE3 4.46Å; W91-S94 VanDerWaalsContact O-CB 3.22Å; W91-S94 WeakPolarHBondContact O-CB 3.49Å; W91-S94 PolarHBondContact O-N 3.44Å; W91-S94 VanDerWaalsContact O-N 3.15Å; W91-S94 PolarHBondContact O-OG 3.02Å
92Q91.7Very high94.3Very high126 Ų12678.9 Ų78.959%0.58943%0.427SS*.THydrogen-bonded Turntrans-53.5146.1179.9-165.1-1797.400110.2S94Q92-S94 PolarHBondContact O-N 2.88Å
93Y93.1Very high94.3Very high150 Ų15078.9 Ų78.959%0.58843%0.43SS*.THydrogen-bonded Turntrans72.6-1.3-176.4-43.8-75.1000115.5
94S96.6Very high94.2Very high36 Ų3680.2 Ų80.225%0.25244%0.44SS..  trans-60.8143.6172.7-60.40000111.7H28 I30 W91 Q92H28-S94 CarbonylContact O-C 3.59Å; H28-S94 WeakPolarHBondContact O-CA 3.49Å; H28-S94 WeakPolarHBondContact O-CB 3.33Å; I30-S94 PolarHBondContact N-OG 2.73Å; W91-S94 VanDerWaalsContact O-CB 3.22Å; W91-S94 WeakPolarHBondContact O-CB 3.49Å; W91-S94 PolarHBondContact O-N 3.44Å; W91-S94 VanDerWaalsContact O-N 3.15Å; W91-S94 PolarHBondContact O-OG 3.02Å; Q92-S94 PolarHBondContact O-N 2.88Å
95T98.3Very high94.2Very high71 Ų7177.8 Ų77.844%0.43643%0.434SS..EExtended strand (participates in β ladder)trans-128.7145.7178.961.20000111F27 H28F27-T95 WeakPolarHBondContact CA-O 3.49Å; H28-T95 PolarHBondContact CD2-OG1 2.97Å; H28-T95 VanDerWaalsContact CD2-OG1 3.29Å; H28-T95 PolarHBondContact N-O 3.29Å; H28-T95 PolarHBondContact O-N 3.04Å
96F98.6Very high94.4Very high50 Ų5080.3 Ų80.322%0.21944%0.44CS..EExtended strand (participates in β ladder)trans-141.6125.7168.8178.2-145.9000107.6F9 F25 F27 L42 V78 L80F9-F96 AromaticContact CE2-CD1 3.85Å; F9-F96 HydrophobicContact CE2-CD1 3.85Å; F9-F96 AromaticContact CE2-CE1 3.77Å; F9-F96 HydrophobicContact CE2-CE1 3.77Å; F9-F96 HydrophobicContact CZ-CD1 4.12Å; F9-F96 HydrophobicContact CZ-CE1 4.45Å; F25-F96 HydrophobicContact CB-CE2 4.43Å; F25-F96 AromaticContact CD1-CE2 3.89Å; F25-F96 HydrophobicContact CD1-CE2 3.89Å; F25-F96 HydrophobicContact CD1-CZ 4.08Å; F27-F96 HydrophobicContact CB-CD2 4.05Å; L42-F96 HydrophobicContact CD1-CE2 3.75Å; L42-F96 HydrophobicContact CD1-CZ 3.94Å; V78-F96 HydrophobicContact CG1-CZ 4.32Å; L80-F96 HydrophobicContact CD1-CB 3.87Å; L80-F96 HydrophobicContact CD1-CD1 4.27Å; L80-F96 HydrophobicContact CD1-CD2 4.13Å; L80-F96 HydrophobicContact CD1-CG 3.84Å; L80-F96 HydrophobicContact CD2-CD2 4.38Å; L80-F96 HydrophobicContact CD2-CE2 4.37Å; L80-F96 HydrophobicContact CG-CD1 4.16Å; L80-F96 HydrophobicContact CG-CD2 4.18Å; L80-F96 HydrophobicContact CG-CE1 4.36Å; L80-F96 HydrophobicContact CG-CE2 4.4Å; L80-F96 HydrophobicContact CG-CG 4.07Å; L80-F96 HydrophobicContact CG-CZ 4.49Å
97S98.7Very high94.6Very high73 Ų7381.4 Ų81.451%0.5145%0.447SS..EExtended strand (participates in β ladder)trans-147.2157.1-17864.50000111.1F25 S26F25-S97 WeakPolarHBondContact CA-O 3.18Å; S26-S97 PolarHBondContact N-O 2.77Å; S26-S97 PolarHBondContact O-N 2.81Å
98G98.5Very high95Very high37 Ų3783.9 Ų83.938%0.38146%0.461SS..EExtended strand (participates in β ladder)trans-170.6164.6174.200000112.4S24S24-G98 CarbonylContact O-C 3.59Å; S24-G98 WeakPolarHBondContact O-CA 3.4Å
99F98.8Very high95.6Very high126 Ų12682.9 Ų82.955%0.55345%0.451SS*.EExtended strand (participates in β ladder)trans-156157.6-177.762.2-84.1000111.4Y23 S24 V101Y23-F99 CarbonylContact C-O 3.57Å; Y23-F99 VanDerWaalsContact CA-O 3.32Å; Y23-F99 WeakPolarHBondContact CA-O 3.34Å; S24-F99 PolarHBondContact N-O 3.04Å; S24-F99 PolarHBondContact O-N 2.82Å; F99-V101 HydrophobicContact CE2-CG2 4.12Å; F99-V101 PolarHBondContact O-N 3.49Å
100L98.7Very high96.3Very high65 Ų6584.3 Ų84.334%0.3444%0.439SS..EExtended strand (participates in β ladder)trans-72.2121.3170.7176.366.8000109.3Y23 F102 P103Y23-L100 HydrophobicContact CD1-CB 3.98Å; Y23-L100 HydrophobicContact CD1-CD1 4.17Å; Y23-L100 HydrophobicContact CD2-CD1 4.22Å; Y23-L100 HydrophobicContact CE1-CB 3.7Å; Y23-L100 HydrophobicContact CE1-CD1 3.73Å; Y23-L100 HydrophobicContact CE1-CG 4.27Å; Y23-L100 HydrophobicContact CE2-CD1 3.81Å; Y23-L100 HydrophobicContact CG-CD1 4.4Å; L100-F102 WeakPolarHBondContact CD1-O 3.29Å; L100-P103 HydrophobicContact CD2-CB 4.48Å
101V98.8Very high96.8Very high66 Ų6688.6 Ų88.640%0.445%0.453SS..EExtended strand (participates in β ladder)trans-78.1-52.6174.5-169.40000109.7I22 L69 F99I22-V101 HydrophobicContact CG2-CB 4.41Å; I22-V101 HydrophobicContact CG2-CG2 4.3Å; I22-V101 WeakPolarHBondContact O-CB 3.33Å; I22-V101 PolarHBondContact O-N 2.87Å; L69-V101 HydrophobicContact CD2-CG2 3.93Å; F99-V101 HydrophobicContact CE2-CG2 4.12Å; F99-V101 PolarHBondContact O-N 3.49Å
102F98.6Very high97.1Very high102 Ų10283.4 Ų83.445%0.44744%0.442SS..EExtended strand (participates in β ladder)trans-157.4146.3171.551.4-96.3000110.8G21 I22 L100 L104G21-F102 WeakPolarHBondContact CA-O 3.18Å; I22-F102 HydrophobicContact CB-CD2 4.45Å; I22-F102 HydrophobicContact CB-CE1 4.22Å; I22-F102 HydrophobicContact CB-CE2 3.98Å; I22-F102 HydrophobicContact CB-CZ 3.85Å; I22-F102 HydrophobicContact CG1-CD2 4.3Å; I22-F102 HydrophobicContact CG1-CE1 4.33Å; I22-F102 HydrophobicContact CG1-CE2 3.46Å; I22-F102 VanDerWaalsContact CG1-CE2 3.46Å; I22-F102 HydrophobicContact CG1-CZ 3.47Å; I22-F102 VanDerWaalsContact CG1-CZ 3.47Å; I22-F102 HydrophobicContact CG2-CZ 4.47Å; I22-F102 PolarHBondContact N-O 2.92Å; L100-F102 WeakPolarHBondContact CD1-O 3.29Å; F102-L104 HydrophobicContact CD2-CD2 4.19Å; F102-L104 HydrophobicContact CE2-CD2 3.96Å; F102-L104 HydrophobicContact CE2-CG 4.47Å
103P98.2Very high97.6Very high60 Ų6079.8 Ų79.839%0.3943%0.43SS..EExtended strand (participates in β ladder)trans-73.3159.5173.232.5-35.3000111.8R19 L100R19-P103 VanDerWaalsContact NH2-CB 3.32Å; L100-P103 HydrophobicContact CD2-CB 4.48Å
104L93.8Very high98Very high122 Ų12273.5 Ų73.564%0.63942%0.415SS*.  trans-118.50170.8-66.8173.5000111.1K20 I22 Y71 F102K20-L104 HydrophobicContact CD-CB 4.33Å; K20-L104 HydrophobicContact CG-CB 4.13Å; K20-L104 PolarHBondContact O-N 2.9Å; K20-L104 VanDerWaalsContact O-N 3.15Å; I22-L104 HydrophobicContact CD1-CD1 4.38Å; I22-L104 HydrophobicContact CG1-CD1 4.47Å; Y71-L104 HydrophobicContact CD2-CD1 3.54Å; Y71-L104 HydrophobicContact CE2-CD1 3.31Å; F102-L104 HydrophobicContact CD2-CD2 4.19Å; F102-L104 HydrophobicContact CE2-CD2 3.96Å; F102-L104 HydrophobicContact CE2-CG 4.47Å

Retrieved 104 of 104 residues in 24.2 ms (Link to these results)

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