X5J4J2_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4J2, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 105 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
1A57.9Low82.3Confident115 Ų11588.9 Ų88.995%0.9553%0.53SS*.  0129.1000000107.5T104A1-T104 VanDerWaalsContact CA-O 3.29Å; A1-T104 WeakPolarHBondContact CA-O 3.3Å; A1-T104 HydrophobicContact CB-CG2 4.47Å
2E66.6Low83.3Confident87 Ų8782.5 Ų82.541%0.40749%0.491SS..  trans-103.1111.6179.1-172.5171.3176.600108.7V4 V10 T104 L105E2-V4 PolarHBondContact O-N 3.02Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.33Å; E2-V10 VanDerWaalsContact OE2-CG2 3.27Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.37Å; E2-T104 PolarHBondContact N-O 3.25Å; E2-L105 HydrophobicContact CB-CD1 4.14Å
3L74.3Confident84.2Confident171 Ų17182.5 Ų82.590%0.89550%0.497SS*.  trans-86.7105178.7-69.6171.6000109.3
4V79.8Confident84.7Confident48 Ų4877.3 Ų77.329%0.29147%0.466SS..  trans-108.7145.2-179.3-111.30000111.7E2 A8 L78 L105E2-V4 PolarHBondContact O-N 3.02Å; V4-A8 HydrophobicContact CB-CB 4.47Å; V4-A8 HydrophobicContact CG1-CB 4.04Å; V4-L78 HydrophobicContact CB-CD1 3.9Å; V4-L78 HydrophobicContact CG1-CD1 4.29Å; V4-L78 HydrophobicContact CG2-CD1 3.63Å; V4-L105 HydrophobicContact CG2-CD1 3.3Å; V4-L105 HydrophobicContact CG2-CG 3.84Å
5K83Confident85.1Confident174 Ų17481.5 Ų81.576%0.75748%0.476SS*.  trans-73.2146.7175.3-65-179.4-178.5178.60110.3G7 A8K5-G7 PolarHBondContact O-N 3.29Å; K5-A8 WeakPolarHBondContact O-CB 3.48Å; K5-A8 PolarHBondContact O-N 2.84Å; K5-A8 VanDerWaalsContact O-N 3.08Å
6P85.7Confident84.8Confident115 Ų11577.4 Ų77.475%0.74745%0.453SS*.THydrogen-bonded Turntrans-52.4140.1169.3-25.334.3000111.5A8 L78P6-A8 PolarHBondContact O-N 3.18Å; P6-L78 WeakPolarHBondContact CA-O 3.44Å
7G86.7Confident84.2Confident54 Ų5477.9 Ų77.956%0.55746%0.459SS*.THydrogen-bonded Turntrans80.9-10.7-176.400000115K5 L78K5-G7 PolarHBondContact O-N 3.29Å; G7-L78 PolarHBondContact N-O 2.78Å
8A90.8Very high83.4Confident31 Ų3178.6 Ų78.626%0.25649%0.485SS..  trans-69.4165172.700000111.6V4 K5 P6 S77 L78V4-A8 HydrophobicContact CB-CB 4.47Å; V4-A8 HydrophobicContact CG1-CB 4.04Å; K5-A8 WeakPolarHBondContact O-CB 3.48Å; K5-A8 PolarHBondContact O-N 2.84Å; K5-A8 VanDerWaalsContact O-N 3.08Å; P6-A8 PolarHBondContact O-N 3.18Å; A8-S77 PolarHBondContact O-N 3.24Å; A8-L78 WeakPolarHBondContact O-CB 3.45Å; A8-L78 VanDerWaalsContact O-CG 3.28Å; A8-L78 WeakPolarHBondContact O-CG 3.38Å; A8-L78 PolarHBondContact O-N 3.44Å
9S92.7Very high82.4Confident63 Ų6379.7 Ų79.744%0.44148%0.48SS..  trans-110.7143.2168.3-62.10000109.7L75 N76S9-L75 CarbonylContact C-O 3.59Å; S9-L75 WeakPolarHBondContact CA-O 3.18Å; S9-L75 WeakPolarHBondContact CB-O 3.35Å; S9-N76 WeakPolarHBondContact CB-OD1 3.45Å; S9-N76 WeakPolarHBondContact OG-CA 3.44Å; S9-N76 PolarHBondContact OG-OD1 2.89Å
10V93.6Very high82.2Confident4 Ų480.1 Ų80.12%0.02448%0.483CS..EExtended strand (participates in β ladder)trans-120.6143.2173.367.80000109.8E2 M12 Q74 L75 L78 L105E2-V10 WeakPolarHBondContact OE1-CG2 3.33Å; E2-V10 VanDerWaalsContact OE2-CG2 3.27Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.37Å; V10-M12 HydrophobicContact CG1-CG 4.48Å; V10-M12 HydrophobicContact CG2-CG 4.42Å; V10-Q74 CarbonylContact O-C 3.51Å; V10-Q74 VanDerWaalsContact O-CA 3.3Å; V10-Q74 WeakPolarHBondContact O-CA 3.38Å; V10-L75 HydrophobicContact CG1-CB 3.99Å; V10-L75 HydrophobicContact CG1-CD1 4.25Å; V10-L75 HydrophobicContact CG1-CG 4.5Å; V10-L75 PolarHBondContact N-O 2.77Å; V10-L75 PolarHBondContact O-N 2.77Å; V10-L78 HydrophobicContact CB-CD1 4.13Å; V10-L78 HydrophobicContact CG1-CD1 3.93Å; V10-L78 HydrophobicContact CG1-CD2 4.35Å; V10-L105 HydrophobicContact CB-CD1 4.16Å; V10-L105 HydrophobicContact CG1-CD1 3.91Å; V10-L105 HydrophobicContact CG1-CD2 3.7Å; V10-L105 HydrophobicContact CG1-CG 4.47Å; V10-L105 HydrophobicContact CG2-CD1 3.96Å
11K94.5Very high82.1Confident116 Ų11676.9 Ų76.950%0.50446%0.462SS..EExtended strand (participates in β ladder)trans-119112.7174.7-173.3177.4-179.11800109.6Y72 Q74K11-Y72 HydrophobicContact CD-CD1 4.32Å; K11-Y72 VanDerWaalsContact CE-CD1 3.49Å; K11-Y72 VanDerWaalsContact CE-CG 3.47Å; K11-Y72 HydrophobicContact CG-CD1 4.21Å; K11-Q74 HydrophobicContact CG-CB 4.5Å
12M94.4Very high83.5Confident12 Ų1274.2 Ų74.26%0.05943%0.434CS..EExtended strand (participates in β ladder)trans-96.8142.6180-46.4-174.389.400109.4V10 W28 Y72 M73 Y86 T103V10-M12 HydrophobicContact CG1-CG 4.48Å; V10-M12 HydrophobicContact CG2-CG 4.42Å; M12-W28 HydrophobicContact CB-CH2 4.11Å; M12-W28 HydrophobicContact CB-CZ3 4Å; M12-Y72 CarbonylContact O-C 3.54Å; M12-Y72 WeakPolarHBondContact O-CA 3.43Å; M12-Y72 WeakPolarHBondContact O-CB 3.19Å; M12-M73 HydrophobicContact CG-CE 4.29Å; M12-M73 PolarHBondContact N-O 2.97Å; M12-M73 PolarHBondContact O-N 2.8Å; M12-M73 HydrophobicContact SD-CE 3.47Å; M12-M73 WeakPolarHBondContact SD-CE 3.43Å; M12-Y86 HydrophobicContact CE-CD2 4.26Å; M12-Y86 HydrophobicContact CE-CG 4.27Å; M12-Y86 HydrophobicContact SD-CD1 4.48Å; M12-Y86 HydrophobicContact SD-CD2 4.15Å; M12-Y86 HydrophobicContact SD-CG 3.86Å; M12-T103 VanDerWaalsContact CE-CB 3.41Å; M12-T103 HydrophobicContact CE-CG2 3.38Å
13S94.5Very high84.2Confident82 Ų8273.5 Ų73.557%0.57344%0.439SS*.EExtended strand (participates in β ladder)trans-114.6150.3178.164.20000111.3A71 Y72S13-A71 CarbonylContact C-O 3.45Å; S13-A71 WeakPolarHBondContact CA-O 3.29Å; S13-Y72 VanDerWaalsContact CB-CE1 3.45Å
14C91.9Very high84.7Confident10 Ų1067.6 Ų67.67%0.06841%0.405CS..EExtended strand (participates in β ladder)trans-142.8128.4173.31800000110.5M26 W28 A71 C88C14-M26 HydrophobicContact CB-SD 4.48Å; C14-M26 VanDerWaalsContact SG-SD 3.69Å; C14-W28 HydrophobicContact CB-CH2 3.8Å; C14-W28 HydrophobicContact CB-CZ2 3.97Å; C14-A71 PolarHBondContact N-O 2.97Å; C14-A71 PolarHBondContact O-N 2.85Å; C14-C88 HydrophobicContact CB-CB 3.43Å; C14-C88 VanDerWaalsContact CB-CB 3.43Å; C14-C88 WeakPolarHBondContact CB-SG 3.3Å; C14-C88 WeakPolarHBondContact SG-CB 3.37Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.6Å
15K90Very high85.1Confident141 Ų14169.6 Ų69.661%0.61341%0.408SS*.  trans-124.9117.7178.2-178.2168.8-173.6169.80109.2S68K15-S68 PolarHBondContact NZ-O 2.79Å
16P80Confident85.5Confident16 Ų1661.4 Ų61.410%0.10437%0.372CS..  trans-73.1145.8179.328.4-31.7000111.3F21 M26 F90P16-F21 HydrophobicContact CG-CB 4.4Å; P16-F21 HydrophobicContact CG-CD2 3.67Å; P16-M26 HydrophobicContact CB-CE 4.48Å; P16-M26 HydrophobicContact CG-CE 4.25Å; P16-F90 HydrophobicContact CB-CD1 4.1Å; P16-F90 HydrophobicContact CB-CE1 3.81Å; P16-F90 HydrophobicContact CB-CE2 4.47Å; P16-F90 HydrophobicContact CB-CZ 4Å
17P75.4Confident85.9Confident86 Ų8656.6 Ų56.656%0.55834%0.34SS*.SBendtrans-77.9127.9175.130.3-33.6000111.2Y19 F90P17-Y19 WeakPolarHBondContact O-CD2 3.17Å; P17-Y19 PolarHBondContact O-N 2.9Å; P17-F90 HydrophobicContact CG-CZ 4.3Å
18G68.7Low86.3Confident90 Ų9054.2 Ų54.293%0.92831%0.314SS*.SBendtrans66.2-4.3159.600000118.9
19Y65.2Low86.5Confident99 Ų9953.1 Ų53.139%0.38830%0.304SS..SBendtrans-100.5156.1178.5-66.6-73.7000112.5P17 F21 Y24 F90 Y98P17-Y19 WeakPolarHBondContact O-CD2 3.17Å; P17-Y19 PolarHBondContact O-N 2.9Å; Y19-F21 PolarHBondContact O-N 2.91Å; Y19-Y24 HydrophobicContact CD1-CE2 4.44Å; Y19-F90 AromaticContact CD2-CE2 3.62Å; Y19-F90 HydrophobicContact CD2-CE2 3.62Å; Y19-F90 HydrophobicContact CD2-CZ 4.12Å; Y19-F90 AromaticContact CE2-CE2 3.98Å; Y19-F90 HydrophobicContact CE2-CE2 3.98Å; Y19-F90 HydrophobicContact CE2-CZ 4.42Å; Y19-F90 HydrophobicContact CG-CE2 4.48Å; Y19-Y98 HydrophobicContact CE2-CD2 4.14Å; Y19-Y98 HydrophobicContact CE2-CE1 4.28Å; Y19-Y98 AromaticContact CE2-CE2 3.57Å; Y19-Y98 HydrophobicContact CE2-CE2 3.57Å; Y19-Y98 AromaticContact CE2-CZ 3.69Å; Y19-Y98 AromaticContact CZ-CE2 3.74Å; Y19-Y98 AromaticContact CZ-CZ 3.86Å; Y19-Y98 VanDerWaalsContact OH-CZ 3.31Å; Y19-Y98 PolarHBondContact OH-OH 3.34Å
20T77.6Confident86.6Confident87 Ų8750.4 Ų50.453%0.53428%0.284SS..  trans-60.799.1167.4-53.20000108.9T22 S23T20-T22 WeakPolarHBondContact CG2-OG1 3.46Å; T20-T22 PolarHBondContact O-N 3.07Å; T20-S23 VanDerWaalsContact CB-OG 3.28Å; T20-S23 WeakPolarHBondContact CB-OG 3.24Å; T20-S23 VanDerWaalsContact CG2-OG 3.26Å; T20-S23 WeakPolarHBondContact CG2-OG 3.47Å; T20-S23 WeakPolarHBondContact O-CB 3.23Å; T20-S23 PolarHBondContact O-N 2.96Å
21F81.4Confident86.7Confident13 Ų1353.5 Ų53.56%0.05730%0.298CS..G310 helixtrans-49.5-31.8-177172-115.3000113.4P16 Y19 P45 V64 S69 A71P16-F21 HydrophobicContact CG-CB 4.4Å; P16-F21 HydrophobicContact CG-CD2 3.67Å; Y19-F21 PolarHBondContact O-N 2.91Å; F21-P45 HydrophobicContact CD1-CB 3.88Å; F21-P45 HydrophobicContact CD2-CB 4.38Å; F21-P45 HydrophobicContact CD2-CG 4.47Å; F21-P45 HydrophobicContact CE1-CB 3.65Å; F21-P45 HydrophobicContact CE2-CB 4.16Å; F21-P45 HydrophobicContact CE2-CG 4.21Å; F21-P45 HydrophobicContact CG-CB 4.27Å; F21-P45 HydrophobicContact CZ-CB 3.81Å; F21-P45 HydrophobicContact CZ-CG 4.27Å; F21-P45 VanDerWaalsContact O-CB 3.3Å; F21-P45 WeakPolarHBondContact O-CB 3.28Å; F21-P45 VanDerWaalsContact O-CG 3.27Å; F21-P45 WeakPolarHBondContact O-CG 3.45Å; F21-V64 HydrophobicContact CE1-CG2 3.31Å; F21-V64 HydrophobicContact CZ-CG2 3.29Å; F21-S69 WeakPolarHBondContact CD2-O 3.15Å; F21-S69 WeakPolarHBondContact CE2-O 3.44Å; F21-S69 VanDerWaalsContact CZ-C 3.48Å; F21-A71 HydrophobicContact CE2-CB 4.13Å; F21-A71 HydrophobicContact CZ-CB 4.22Å
22T85.8Confident86.5Confident59 Ų5951.5 Ų51.536%0.36229%0.288SS..G310 helixtrans-81.9-10.6-179.654.10000114.7T20 S46T20-T22 WeakPolarHBondContact CG2-OG1 3.46Å; T20-T22 PolarHBondContact O-N 3.07Å; T22-S46 WeakPolarHBondContact O-CB 3.49Å
23S83.1Confident86.2Confident72 Ų7256.6 Ų56.650%0.50332%0.322SS..G310 helixtrans-82.4-16.8-174.8-65.30000114.2T20T20-S23 VanDerWaalsContact CB-OG 3.28Å; T20-S23 WeakPolarHBondContact CB-OG 3.24Å; T20-S23 VanDerWaalsContact CG2-OG 3.26Å; T20-S23 WeakPolarHBondContact CG2-OG 3.47Å; T20-S23 WeakPolarHBondContact O-CB 3.23Å; T20-S23 PolarHBondContact O-N 2.96Å
24Y83.3Confident85.9Confident48 Ų4857.1 Ų57.119%0.18834%0.34CS..SBendtrans-134.8145.7-171.1-57.2-66.3000112.4Y19 P45 N91 Y93Y19-Y24 HydrophobicContact CD1-CE2 4.44Å; Y24-P45 WeakPolarHBondContact O-CD 3.15Å; Y24-P45 WeakPolarHBondContact O-CG 3.35Å; Y24-N91 WeakPolarHBondContact CB-O 3.31Å; Y24-N91 WeakPolarHBondContact CD1-O 3.41Å; Y24-N91 WeakPolarHBondContact CE1-O 3.14Å; Y24-Y93 WeakPolarHBondContact OH-CD2 3.26Å; Y24-Y93 WeakPolarHBondContact OH-CE2 3.28Å
25W89.8Confident85.7Confident89 Ų8962 Ų6234%0.33736%0.362SS..PPolyproline II helixtrans-68.4134.6172.6-70.672000110H27 N42 N44 G49 N51W25-H27 PolarHBondContact O-CD2 3.01Å; W25-N42 HydrophobicContact CE3-CB 4.07Å; W25-N42 VanDerWaalsContact CE3-CG 3.42Å; W25-N42 WeakPolarHBondContact CZ3-OD1 3.16Å; W25-N44 HydrophobicContact CD2-CB 3.76Å; W25-N44 HydrophobicContact CE3-CB 3.82Å; W25-N44 HydrophobicContact CG-CB 4.46Å; W25-N44 HydrophobicContact CH2-CB 3.87Å; W25-N44 HydrophobicContact CZ2-CB 3.78Å; W25-N44 HydrophobicContact CZ3-CB 3.87Å; W25-G49 WeakPolarHBondContact CZ3-O 3.46Å; W25-N51 WeakPolarHBondContact CH2-ND2 3.48Å; W25-N51 WeakPolarHBondContact CZ3-ND2 3.4Å
26M91.5Very high85.6Confident3 Ų358.3 Ų58.32%0.01536%0.363CS..EExtended strand (participates in β ladder)trans-93.2120.3172.4-174.764.867.100108.8C14 P16 N42 I43 P45 A71 C88 F90C14-M26 HydrophobicContact CB-SD 4.48Å; C14-M26 VanDerWaalsContact SG-SD 3.69Å; P16-M26 HydrophobicContact CB-CE 4.48Å; P16-M26 HydrophobicContact CG-CE 4.25Å; M26-N42 CarbonylContact O-C 3.6Å; M26-N42 WeakPolarHBondContact O-CA 3.46Å; M26-N42 VanDerWaalsContact O-CB 3.3Å; M26-N42 WeakPolarHBondContact O-CB 3.02Å; M26-I43 HydrophobicContact CB-CG2 3.93Å; M26-I43 PolarHBondContact N-O 3.23Å; M26-I43 PolarHBondContact O-N 2.92Å; M26-P45 HydrophobicContact CB-CG 4.49Å; M26-A71 HydrophobicContact CB-CB 4.15Å; M26-A71 HydrophobicContact CE-CB 4.44Å; M26-A71 HydrophobicContact CG-CB 3.74Å; M26-C88 HydrophobicContact SD-CB 3.83Å; M26-F90 HydrophobicContact SD-CB 4.49Å
27H93.4Very high86.2Confident13 Ų1362.3 Ų62.36%0.0638%0.383CS..EExtended strand (participates in β ladder)trans-102.5145.9179.3-63.7-114.7000110.5W25 W39 G41 N42 C88 A89 N91 F96W25-H27 PolarHBondContact O-CD2 3.01Å; H27-W39 AromaticContact ND1-NE1 3.31Å; H27-W39 PolarHBondContact ND1-NE1 3.33Å; H27-G41 WeakPolarHBondContact CA-O 3.26Å; H27-N42 HydrophobicContact CB-CB 4.36Å; H27-N42 PolarHBondContact CE1-ND2 3.49Å; H27-N42 VanDerWaalsContact CE1-ND2 3.29Å; H27-C88 CarbonylContact O-C 3.58Å; H27-C88 VanDerWaalsContact O-CA 3.23Å; H27-C88 WeakPolarHBondContact O-CA 3.34Å; H27-A89 PolarHBondContact N-O 3.44Å; H27-A89 PolarHBondContact O-N 3.32Å; H27-N91 PolarHBondContact NE2-ND2 2.8Å; H27-F96 HydrophobicContact CB-CE1 4.01Å; H27-F96 AromaticContact CD2-CE1 3.59Å; H27-F96 AromaticContact CE1-CE1 3.58Å; H27-F96 AromaticContact CE1-CZ 3.72Å; H27-F96 AromaticContact CG-CE1 3.49Å; H27-F96 VanDerWaalsContact CG-CE1 3.49Å; H27-F96 AromaticContact ND1-CE1 3.48Å; H27-F96 WeakPolarHBondContact ND1-CE1 3.43Å; H27-F96 AromaticContact ND1-CZ 3.76Å; H27-F96 AromaticContact NE2-CE1 3.69Å
28W95.3Very high87.1Confident5 Ų559.3 Ų59.32%0.01937%0.368CS..EExtended strand (participates in β ladder)trans-117.3134.8174.7-68.691000110M12 C14 I40 G41 L62 M73 Y87 C88M12-W28 HydrophobicContact CB-CH2 4.11Å; M12-W28 HydrophobicContact CB-CZ3 4Å; C14-W28 HydrophobicContact CB-CH2 3.8Å; C14-W28 HydrophobicContact CB-CZ2 3.97Å; W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.3Å; W28-I40 WeakPolarHBondContact O-CB 2.99Å; W28-I40 PolarHBondContact O-N 3.25Å; W28-G41 PolarHBondContact N-O 3.02Å; W28-L62 VanDerWaalsContact CD1-CD2 3.46Å; W28-L62 HydrophobicContact CG-CD2 4.01Å; W28-M73 HydrophobicContact CB-SD 3.89Å; W28-M73 HydrophobicContact CD2-CB 3.55Å; W28-M73 HydrophobicContact CD2-CE 4.45Å; W28-M73 HydrophobicContact CD2-CG 4.34Å; W28-M73 HydrophobicContact CD2-SD 4.02Å; W28-M73 HydrophobicContact CE3-CB 3.77Å; W28-M73 HydrophobicContact CE3-CE 3.79Å; W28-M73 HydrophobicContact CE3-CG 4.5Å; W28-M73 HydrophobicContact CE3-SD 3.96Å; W28-M73 HydrophobicContact CG-CB 4.08Å; W28-M73 HydrophobicContact CG-SD 4.01Å; W28-M73 HydrophobicContact CH2-CB 3.99Å; W28-M73 HydrophobicContact CZ2-CB 3.8Å; W28-M73 HydrophobicContact CZ3-CB 3.98Å; W28-M73 HydrophobicContact CZ3-CE 4.21Å; W28-Y87 WeakPolarHBondContact CA-O 2.94Å; W28-C88 HydrophobicContact CD2-CB 4.46Å; W28-C88 HydrophobicContact CE3-CB 4.25Å; W28-C88 HydrophobicContact CH2-CB 4.36Å; W28-C88 HydrophobicContact CZ3-CB 4.2Å
29V95.1Very high88.3Confident7 Ų759.1 Ų59.14%0.04234%0.34CS..EExtended strand (participates in β ladder)trans-136.4136.4-172.9-176.20000109.3L37 G38 Y86 Y87 W99V29-L37 HydrophobicContact CG1-CB 3.84Å; V29-L37 HydrophobicContact CG1-CD2 3.96Å; V29-L37 HydrophobicContact CG1-CG 4.38Å; V29-G38 CarbonylContact C-O 3.41Å; V29-G38 WeakPolarHBondContact CA-O 3.27Å; V29-Y86 CarbonylContact O-C 3.6Å; V29-Y86 WeakPolarHBondContact O-CA 3.27Å; V29-Y87 PolarHBondContact N-O 2.93Å; V29-Y87 PolarHBondContact O-N 2.78Å; V29-W99 HydrophobicContact CB-CH2 4.21Å; V29-W99 HydrophobicContact CB-CZ3 3.93Å; V29-W99 HydrophobicContact CG1-CH2 4.12Å; V29-W99 HydrophobicContact CG1-CZ3 4.05Å; V29-W99 HydrophobicContact CG2-CH2 3.83Å; V29-W99 HydrophobicContact CG2-CZ3 3.94Å
30K94.9Very high89.7Confident7 Ų754.4 Ų54.43%0.0332%0.321CS..EExtended strand (participates in β ladder)trans-104.9136.6173.9-174.7176.8-177.41760109.6G38 I40 F56 E81 D82 A84 Y86K30-G38 PolarHBondContact N-O 2.9Å; K30-G38 PolarHBondContact O-N 3.13Å; K30-I40 HydrophobicContact CB-CD1 4.04Å; K30-I40 HydrophobicContact CB-CG1 4.19Å; K30-F56 HydrophobicContact CD-CE1 3.88Å; K30-F56 HydrophobicContact CD-CZ 4.26Å; K30-E81 PolarHBondContact NZ-O 3.46Å; K30-D82 IonicContact NZ-OD1 2.66Å; K30-D82 PolarHBondContact NZ-OD1 2.87Å; K30-A84 HydrophobicContact CD-CB 4.14Å; K30-A84 HydrophobicContact CG-CB 3.52Å; K30-Y86 HydrophobicContact CB-CD1 4.11Å; K30-Y86 HydrophobicContact CB-CE1 3.92Å; K30-Y86 HydrophobicContact CD-CE1 3.88Å; K30-Y86 WeakPolarHBondContact CE-OH 3.5Å; K30-Y86 HydrophobicContact CG-CD1 4.23Å; K30-Y86 HydrophobicContact CG-CE1 3.74Å
31Q94.6Very high90.6Very high69 Ų6950.2 Ų50.232%0.32230%0.296SS..EExtended strand (participates in β ladder)trans-125.7116.7171.3-170.4-1783100109.6L37 A84 V85 Y87Q31-L37 HydrophobicContact CB-CD2 3.85Å; Q31-L37 HydrophobicContact CG-CD2 3.93Å; Q31-A84 WeakPolarHBondContact O-CA 3.01Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.43Å; Q31-V85 PolarHBondContact N-O 2.9Å; Q31-V85 PolarHBondContact O-N 2.82Å; Q31-Y87 HydrophobicContact CB-CD2 4.38Å; Q31-Y87 HydrophobicContact CB-CE2 3.7Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.28Å; Q31-Y87 PolarHBondContact OE1-OH 2.81Å
32R91.3Very high91.2Very high74 Ų7450.4 Ų50.428%0.27930%0.297SS..  trans-91.9146.9171.1-71.8-179.6-178.6149.8-6.1110.1G34 Q35 E81 A84R32-G34 PolarHBondContact O-N 2.89Å; R32-Q35 HydrophobicContact CB-CB 4.04Å; R32-Q35 HydrophobicContact CB-CG 4.15Å; R32-Q35 VanDerWaalsContact CD-OE1 3.31Å; R32-Q35 PolarHBondContact O-N 3.15Å; R32-E81 VanDerWaalsContact CZ-O 3.27Å; R32-E81 PolarHBondContact NE-O 2.94Å; R32-E81 PolarHBondContact NH2-O 2.98Å; R32-A84 HydrophobicContact CG-CB 4.06Å
33P87.2Confident91.6Very high119 Ų11947.8 Ų47.877%0.77328%0.281SS*.THydrogen-bonded Turntrans-53.1128.9172.5-24.934.2000111.2Q35P33-Q35 PolarHBondContact O-N 2.89Å
34G88Confident92.1Very high93 Ų9345.2 Ų45.296%0.95926%0.262SS*.THydrogen-bonded Turntrans72.34-179.200000115.7R32R32-G34 PolarHBondContact O-N 2.89Å
35Q88.2Confident92.5Very high113 Ų11343 Ų4353%0.52825%0.253SS..SBendtrans-117.1159.2174.2-57.5-170.9-7.500111.3R32 P33R32-Q35 HydrophobicContact CB-CB 4.04Å; R32-Q35 HydrophobicContact CB-CG 4.15Å; R32-Q35 VanDerWaalsContact CD-OE1 3.31Å; R32-Q35 PolarHBondContact O-N 3.15Å; P33-Q35 PolarHBondContact O-N 2.89Å
36G88.6Confident92.5Very high62 Ų6241.1 Ų41.164%0.63925%0.253SS*.  trans-68.3174.8173.900000113.4G38G36-G38 PolarHBondContact O-N 3.42Å
37L91.6Very high92.6Very high100 Ų10046.2 Ų46.252%0.52428%0.281SS..EExtended strand (participates in β ladder)trans-68.9124.6174-64.1174000110.5V29 Q31 W99V29-L37 HydrophobicContact CG1-CB 3.84Å; V29-L37 HydrophobicContact CG1-CD2 3.96Å; V29-L37 HydrophobicContact CG1-CG 4.38Å; Q31-L37 HydrophobicContact CB-CD2 3.85Å; Q31-L37 HydrophobicContact CG-CD2 3.93Å; L37-W99 HydrophobicContact CD1-CH2 3.9Å; L37-W99 HydrophobicContact CD1-CZ3 4.44Å
38G93.7Very high92.5Very high24 Ų2447.1 Ų47.125%0.24729%0.293CS..EExtended strand (participates in β ladder)trans-101.9111.4173.500000110.9V29 K30 G36 I40V29-G38 CarbonylContact C-O 3.41Å; V29-G38 WeakPolarHBondContact CA-O 3.27Å; K30-G38 PolarHBondContact N-O 2.9Å; K30-G38 PolarHBondContact O-N 3.13Å; G36-G38 PolarHBondContact O-N 3.42Å; G38-I40 PolarHBondContact O-N 3.42Å
39W94.3Very high92.5Very high85 Ų8548.2 Ų48.232%0.32231%0.306SS..EExtended strand (participates in β ladder)trans-70.6124.8173.4-178.970.4000110.7H27 G41 N42 N51 N53H27-W39 AromaticContact ND1-NE1 3.31Å; H27-W39 PolarHBondContact ND1-NE1 3.33Å; W39-G41 VanDerWaalsContact CE2-C 3.49Å; W39-G41 PolarHBondContact NE1-O 2.66Å; W39-N42 HydrophobicContact CZ2-CB 4.09Å; W39-N51 HydrophobicContact CH2-CB 4.12Å; W39-N53 HydrophobicContact CE3-CB 3.84Å; W39-N53 HydrophobicContact CZ3-CB 4.03Å; W39-N53 WeakPolarHBondContact O-CB 3.45Å; W39-N53 PolarHBondContact O-ND2 2.82Å
40I95.9Very high92.6Very high0 Ų050.5 Ų50.50%032%0.32CS..EExtended strand (participates in β ladder)trans-88.6-48.1-178.3-62.6174.2000110.2W28 K30 G38 N53 F56 A60 M73 Y86W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.3Å; W28-I40 WeakPolarHBondContact O-CB 2.99Å; W28-I40 PolarHBondContact O-N 3.25Å; K30-I40 HydrophobicContact CB-CD1 4.04Å; K30-I40 HydrophobicContact CB-CG1 4.19Å; G38-I40 PolarHBondContact O-N 3.42Å; I40-N53 PolarHBondContact O-N 2.76Å; I40-F56 HydrophobicContact CB-CB 4.47Å; I40-F56 HydrophobicContact CB-CD2 4.45Å; I40-F56 HydrophobicContact CB-CG 4.35Å; I40-F56 HydrophobicContact CG1-CD1 4.23Å; I40-F56 HydrophobicContact CG1-CD2 4.32Å; I40-F56 HydrophobicContact CG1-CE1 4.38Å; I40-F56 HydrophobicContact CG1-CE2 4.46Å; I40-F56 HydrophobicContact CG1-CG 4.19Å; I40-F56 HydrophobicContact CG1-CZ 4.49Å; I40-F56 HydrophobicContact CG2-CB 3.8Å; I40-F56 HydrophobicContact CG2-CG 4.14Å; I40-A60 HydrophobicContact CG2-CB 3.72Å; I40-M73 HydrophobicContact CD1-CE 4.2Å; I40-M73 HydrophobicContact CD1-SD 3.57Å; I40-M73 VanDerWaalsContact CD1-SD 3.57Å; I40-M73 HydrophobicContact CG2-SD 4.15Å; I40-Y86 HydrophobicContact CD1-CD1 3.73Å; I40-Y86 HydrophobicContact CD1-CE1 3.78Å
41G95.4Very high92.6Very high0 Ų054 Ų540%034%0.339CS..EExtended strand (participates in β ladder)trans170179.4-171.400000112.1H27 W28 W39 N51H27-G41 WeakPolarHBondContact CA-O 3.26Å; W28-G41 PolarHBondContact N-O 3.02Å; W39-G41 VanDerWaalsContact CE2-C 3.49Å; W39-G41 PolarHBondContact NE1-O 2.66Å; G41-N51 CarbonylContact C-O 3.54Å; G41-N51 WeakPolarHBondContact CA-O 3.08Å
42N94.6Very high92.7Very high17 Ų1753.1 Ų53.19%0.09133%0.333CS..EExtended strand (participates in β ladder)trans-142.2159.3170.763.927.8000111.8W25 M26 H27 W39 T50 N51W25-N42 HydrophobicContact CE3-CB 4.07Å; W25-N42 VanDerWaalsContact CE3-CG 3.42Å; W25-N42 WeakPolarHBondContact CZ3-OD1 3.16Å; M26-N42 CarbonylContact O-C 3.6Å; M26-N42 WeakPolarHBondContact O-CA 3.46Å; M26-N42 VanDerWaalsContact O-CB 3.3Å; M26-N42 WeakPolarHBondContact O-CB 3.02Å; H27-N42 HydrophobicContact CB-CB 4.36Å; H27-N42 PolarHBondContact CE1-ND2 3.49Å; H27-N42 VanDerWaalsContact CE1-ND2 3.29Å; W39-N42 HydrophobicContact CZ2-CB 4.09Å; N42-T50 CarbonylContact O-C 3.59Å; N42-T50 VanDerWaalsContact O-CA 3.27Å; N42-T50 WeakPolarHBondContact O-CA 2.8Å; N42-N51 PolarHBondContact N-O 3.29Å; N42-N51 PolarHBondContact O-N 3.01Å; N42-N51 VanDerWaalsContact OD1-CB 3.3Å; N42-N51 WeakPolarHBondContact OD1-CB 2.96Å; N42-N51 PolarHBondContact OD1-N 3.06Å; N42-N51 PolarHBondContact OD1-ND2 2.93Å
43I94.8Very high92.9Very high3 Ų351.9 Ų51.92%0.01533%0.332CS..EExtended strand (participates in β ladder)trans-131.6135.3175-174.8165.2000109.4M26 P45 G49 T50 L62 V64 A71M26-I43 HydrophobicContact CB-CG2 3.93Å; M26-I43 PolarHBondContact N-O 3.23Å; M26-I43 PolarHBondContact O-N 2.92Å; I43-P45 VanDerWaalsContact O-CD 3.29Å; I43-P45 WeakPolarHBondContact O-CD 3.17Å; I43-G49 CarbonylContact C-O 3.54Å; I43-G49 WeakPolarHBondContact CA-O 3.5Å; I43-T50 HydrophobicContact CB-CG2 3.94Å; I43-T50 HydrophobicContact CD1-CG2 3.83Å; I43-T50 HydrophobicContact CG1-CG2 3.74Å; I43-L62 HydrophobicContact CB-CB 4.13Å; I43-L62 HydrophobicContact CB-CD1 4.4Å; I43-L62 HydrophobicContact CD1-CB 4.26Å; I43-L62 HydrophobicContact CG2-CB 4.45Å; I43-V64 HydrophobicContact CD1-CB 3.99Å; I43-V64 HydrophobicContact CD1-CG1 4.26Å; I43-A71 HydrophobicContact CG2-CB 4.49Å
44N92.7Very high93.2Very high19 Ų1952.5 Ų52.510%0.10233%0.325CS..  trans-84.8111.6170.6-176.1-19.8000109.1W25 S46 N47 G48 G49W25-N44 HydrophobicContact CD2-CB 3.76Å; W25-N44 HydrophobicContact CE3-CB 3.82Å; W25-N44 HydrophobicContact CG-CB 4.46Å; W25-N44 HydrophobicContact CH2-CB 3.87Å; W25-N44 HydrophobicContact CZ2-CB 3.78Å; W25-N44 HydrophobicContact CZ3-CB 3.87Å; N44-S46 VanDerWaalsContact CG-OG 3.25Å; N44-S46 PolarHBondContact ND2-OG 3Å; N44-S46 PolarHBondContact O-N 3.04Å; N44-S46 WeakPolarHBondContact OD1-CB 3.43Å; N44-S46 PolarHBondContact OD1-N 2.87Å; N44-S46 PolarHBondContact OD1-OG 2.81Å; N44-N47 WeakPolarHBondContact CB-OD1 3.41Å; N44-N47 PolarHBondContact ND2-OD1 3.41Å; N44-N47 PolarHBondContact O-N 3.16Å; N44-G48 VanDerWaalsContact O-CA 3.3Å; N44-G48 WeakPolarHBondContact O-CA 3.3Å; N44-G48 PolarHBondContact O-N 3.03Å; N44-G49 PolarHBondContact N-O 2.87Å
45P91.3Very high93.3Very high1 Ų156.4 Ų56.41%0.00632%0.315CS..THydrogen-bonded Turntrans-69.5-16.6-176.5-19.435.2000113.8F21 Y24 M26 I43 V64 K66F21-P45 HydrophobicContact CD1-CB 3.88Å; F21-P45 HydrophobicContact CD2-CB 4.38Å; F21-P45 HydrophobicContact CD2-CG 4.47Å; F21-P45 HydrophobicContact CE1-CB 3.65Å; F21-P45 HydrophobicContact CE2-CB 4.16Å; F21-P45 HydrophobicContact CE2-CG 4.21Å; F21-P45 HydrophobicContact CG-CB 4.27Å; F21-P45 HydrophobicContact CZ-CB 3.81Å; F21-P45 HydrophobicContact CZ-CG 4.27Å; F21-P45 VanDerWaalsContact O-CB 3.3Å; F21-P45 WeakPolarHBondContact O-CB 3.28Å; F21-P45 VanDerWaalsContact O-CG 3.27Å; F21-P45 WeakPolarHBondContact O-CG 3.45Å; Y24-P45 WeakPolarHBondContact O-CD 3.15Å; Y24-P45 WeakPolarHBondContact O-CG 3.35Å; M26-P45 HydrophobicContact CB-CG 4.49Å; I43-P45 VanDerWaalsContact O-CD 3.29Å; I43-P45 WeakPolarHBondContact O-CD 3.17Å; P45-V64 HydrophobicContact CB-CG2 3.72Å; P45-K66 WeakPolarHBondContact O-CE 3.41Å
46S90.8Very high93.4Very high49 Ų4952.6 Ų52.634%0.34330%0.297SS..THydrogen-bonded Turntrans-71.8-41.6177.367.90000113.1T22 N44 K66T22-S46 WeakPolarHBondContact O-CB 3.49Å; N44-S46 VanDerWaalsContact CG-OG 3.25Å; N44-S46 PolarHBondContact ND2-OG 3Å; N44-S46 PolarHBondContact O-N 3.04Å; N44-S46 WeakPolarHBondContact OD1-CB 3.43Å; N44-S46 PolarHBondContact OD1-N 2.87Å; N44-S46 PolarHBondContact OD1-OG 2.81Å; S46-K66 VanDerWaalsContact O-CE 3.25Å; S46-K66 WeakPolarHBondContact O-CE 3.36Å; S46-K66 PolarHBondContact O-NZ 3.07Å
47N92.5Very high93.4Very high111 Ų11154.9 Ų54.959%0.59429%0.289SS*.THydrogen-bonded Turntrans-128.3-3.9-171.867.212.2000114.2N44 G49N44-N47 WeakPolarHBondContact CB-OD1 3.41Å; N44-N47 PolarHBondContact ND2-OD1 3.41Å; N44-N47 PolarHBondContact O-N 3.16Å; N47-G49 VanDerWaalsContact C-N 3.27Å; N47-G49 PolarHBondContact O-N 3.34Å; N47-G49 PolarHBondContact OD1-N 3.4Å
48G92.8Very high93.4Very high31 Ų3155.4 Ų55.432%0.3230%0.302SS..  trans77.56.4179.800000114.6N44 T50N44-G48 VanDerWaalsContact O-CA 3.3Å; N44-G48 WeakPolarHBondContact O-CA 3.3Å; N44-G48 PolarHBondContact O-N 3.03Å; G48-T50 PolarHBondContact O-N 3.39Å
49G95.1Very high93.4Very high28 Ų2856.8 Ų56.829%0.28930%0.301SS..  trans-60.6135.1175.900000111.1W25 I43 N44 N47W25-G49 WeakPolarHBondContact CZ3-O 3.46Å; I43-G49 CarbonylContact C-O 3.54Å; I43-G49 WeakPolarHBondContact CA-O 3.5Å; N44-G49 PolarHBondContact N-O 2.87Å; N47-G49 VanDerWaalsContact C-N 3.27Å; N47-G49 PolarHBondContact O-N 3.34Å; N47-G49 PolarHBondContact OD1-N 3.4Å
50T96Very high93.4Very high56 Ų5652.9 Ų52.934%0.34429%0.286SS..EExtended strand (participates in β ladder)trans-124142.6-177.151.10000111.3N42 I43 G48 Y52 L62N42-T50 CarbonylContact O-C 3.59Å; N42-T50 VanDerWaalsContact O-CA 3.27Å; N42-T50 WeakPolarHBondContact O-CA 2.8Å; I43-T50 HydrophobicContact CB-CG2 3.94Å; I43-T50 HydrophobicContact CD1-CG2 3.83Å; I43-T50 HydrophobicContact CG1-CG2 3.74Å; G48-T50 PolarHBondContact O-N 3.39Å; T50-Y52 HydrophobicContact CG2-CE2 4.42Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.29Å; T50-L62 HydrophobicContact CG2-CB 4Å
51N95.6Very high93.5Very high79 Ų7955.8 Ų55.842%0.42230%0.304SS..EExtended strand (participates in β ladder)trans-122.3145.2164.9-55.2-68.4000109W25 W39 G41 N42W25-N51 WeakPolarHBondContact CH2-ND2 3.48Å; W25-N51 WeakPolarHBondContact CZ3-ND2 3.4Å; W39-N51 HydrophobicContact CH2-CB 4.12Å; G41-N51 CarbonylContact C-O 3.54Å; G41-N51 WeakPolarHBondContact CA-O 3.08Å; N42-N51 PolarHBondContact N-O 3.29Å; N42-N51 PolarHBondContact O-N 3.01Å; N42-N51 VanDerWaalsContact OD1-CB 3.3Å; N42-N51 WeakPolarHBondContact OD1-CB 2.96Å; N42-N51 PolarHBondContact OD1-N 3.06Å; N42-N51 PolarHBondContact OD1-ND2 2.93Å
52Y96.2Very high93.6Very high52 Ų5256.2 Ų56.220%0.20431%0.307CS..EExtended strand (participates in β ladder)trans-126.9149.9-179.4-67.3-89000110.5T50 K57 A60 L62T50-Y52 HydrophobicContact CG2-CE2 4.42Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.29Å; Y52-K57 HydrophobicContact CD2-CG 4.39Å; Y52-K57 HydrophobicContact CG-CB 4.4Å; Y52-K57 HydrophobicContact CG-CG 4.18Å; Y52-A60 HydrophobicContact CE1-CB 4.46Å; Y52-A60 WeakPolarHBondContact CE1-O 3.35Å; Y52-L62 HydrophobicContact CE1-CD1 4.04Å; Y52-L62 HydrophobicContact CE1-CG 3.69Å; Y52-L62 PolarHBondContact OH-N 2.9Å
53N94.9Very high93.7Very high47 Ų4758 Ų5825%0.25132%0.319SS..  trans-75.4129.2155.6-178.3-25.4000108W39 I40 K55 F56 K57W39-N53 HydrophobicContact CE3-CB 3.84Å; W39-N53 HydrophobicContact CZ3-CB 4.03Å; W39-N53 WeakPolarHBondContact O-CB 3.45Å; W39-N53 PolarHBondContact O-ND2 2.82Å; I40-N53 PolarHBondContact O-N 2.76Å; N53-K55 PolarHBondContact O-N 2.86Å; N53-K55 PolarHBondContact OD1-N 2.87Å; N53-K55 VanDerWaalsContact OD1-N 3.16Å; N53-F56 HydrophobicContact CB-CD2 4.03Å; N53-F56 PolarHBondContact O-N 3Å; N53-K57 PolarHBondContact O-N 3.36Å; N53-K57 VanDerWaalsContact O-N 3.16Å
54E93.3Very high93.7Very high133 Ų13359.8 Ų59.862%0.62133%0.329SS*.THydrogen-bonded Turntrans-53.9-30.1-176.3-69.7-61.3149.700112.7F56 K57E54-F56 PolarHBondContact O-N 3.41Å; E54-K57 IonicContact OE1-NZ 3.98Å; E54-K57 PolarHBondContact OE1-NZ 3.47Å; E54-K57 VanDerWaalsContact OE2-CD 3.26Å; E54-K57 WeakPolarHBondContact OE2-CD 3.08Å; E54-K57 IonicContact OE2-NZ 3.25Å; E54-K57 PolarHBondContact OE2-NZ 2.82Å
55K90.1Very high93.7Very high175 Ų17561.3 Ų61.376%0.76134%0.337SS*.THydrogen-bonded Turntrans-61.9-26.4175.6-67.1-174.8-179.4-178.40114.3N53N53-K55 PolarHBondContact O-N 2.86Å; N53-K55 PolarHBondContact OD1-N 2.87Å; N53-K55 VanDerWaalsContact OD1-N 3.16Å
56F90.3Very high93.6Very high33 Ų3366.6 Ų66.615%0.14536%0.36CS..THydrogen-bonded Turntrans-114.6-9.3-173.7-61.6-82.1000113.5K30 I40 N53 E54 S58 K59 A60K30-F56 HydrophobicContact CD-CE1 3.88Å; K30-F56 HydrophobicContact CD-CZ 4.26Å; I40-F56 HydrophobicContact CB-CB 4.47Å; I40-F56 HydrophobicContact CB-CD2 4.45Å; I40-F56 HydrophobicContact CB-CG 4.35Å; I40-F56 HydrophobicContact CG1-CD1 4.23Å; I40-F56 HydrophobicContact CG1-CD2 4.32Å; I40-F56 HydrophobicContact CG1-CE1 4.38Å; I40-F56 HydrophobicContact CG1-CE2 4.46Å; I40-F56 HydrophobicContact CG1-CG 4.19Å; I40-F56 HydrophobicContact CG1-CZ 4.49Å; I40-F56 HydrophobicContact CG2-CB 3.8Å; I40-F56 HydrophobicContact CG2-CG 4.14Å; N53-F56 HydrophobicContact CB-CD2 4.03Å; N53-F56 PolarHBondContact O-N 3Å; E54-F56 PolarHBondContact O-N 3.41Å; F56-S58 PolarHBondContact O-N 3.08Å; F56-S58 VanDerWaalsContact O-N 3.17Å; F56-K59 PolarHBondContact O-N 2.93Å; F56-A60 PolarHBondContact O-N 3.31Å
57K90.3Very high93.6Very high109 Ų10969.5 Ų69.547%0.47438%0.38SS..THydrogen-bonded Turntrans-57-32.2-174.1-168.6178.4-171.8175.70114Y52 N53 E54Y52-K57 HydrophobicContact CD2-CG 4.39Å; Y52-K57 HydrophobicContact CG-CB 4.4Å; Y52-K57 HydrophobicContact CG-CG 4.18Å; N53-K57 PolarHBondContact O-N 3.36Å; N53-K57 VanDerWaalsContact O-N 3.16Å; E54-K57 IonicContact OE1-NZ 3.98Å; E54-K57 PolarHBondContact OE1-NZ 3.47Å; E54-K57 VanDerWaalsContact OE2-CD 3.26Å; E54-K57 WeakPolarHBondContact OE2-CD 3.08Å; E54-K57 IonicContact OE2-NZ 3.25Å; E54-K57 PolarHBondContact OE2-NZ 2.82Å
58S91.6Very high93.6Very high112 Ų11265.9 Ų65.978%0.78336%0.364SS*.THydrogen-bonded Turntrans-83.4-18.8176.958.90000114F56F56-S58 PolarHBondContact O-N 3.08Å; F56-S58 VanDerWaalsContact O-N 3.17Å
59K92.4Very high93.5Very high52 Ų5266.6 Ų66.623%0.22636%0.364CS..THydrogen-bonded Turntrans-101.1-35.7-175.7-80.1-128.8-178.2-166.50113.5F56 L75 N76 S77 T79 D82F56-K59 PolarHBondContact O-N 2.93Å; K59-L75 WeakPolarHBondContact O-CA 3.3Å; K59-N76 PolarHBondContact O-N 2.76Å; K59-S77 PolarHBondContact NZ-O 3.47Å; K59-T79 PolarHBondContact NZ-OG1 2.85Å; K59-D82 IonicContact NZ-OD1 3.41Å; K59-D82 IonicContact NZ-OD2 2.85Å; K59-D82 PolarHBondContact NZ-OD2 2.87Å
60A95.6Very high93.4Very high3 Ų365.9 Ų65.93%0.02535%0.354CS..EExtended strand (participates in β ladder)trans-104.5136.6-172.200000111.6I40 Y52 F56 M73 Q74 L75I40-A60 HydrophobicContact CG2-CB 3.72Å; Y52-A60 HydrophobicContact CE1-CB 4.46Å; Y52-A60 WeakPolarHBondContact CE1-O 3.35Å; F56-A60 PolarHBondContact O-N 3.31Å; A60-M73 HydrophobicContact CB-CG 4.45Å; A60-Q74 CarbonylContact C-O 3.5Å; A60-Q74 WeakPolarHBondContact CA-O 3.34Å; A60-L75 HydrophobicContact CB-CD2 3.89Å
61T96.9Very high93.3Very high61 Ų6163.2 Ų63.237%0.37434%0.338SS..EExtended strand (participates in β ladder)trans-121.4120.3170.4-54.50000109T63 M73 Q74T61-T63 HydrophobicContact CG2-CG2 4.3Å; T61-M73 WeakPolarHBondContact O-CA 3.34Å; T61-Q74 PolarHBondContact N-O 2.82Å; T61-Q74 PolarHBondContact O-N 3.34Å
62L97Very high93.3Very high9 Ų961.9 Ų61.95%0.04733%0.327CS..EExtended strand (participates in β ladder)trans-97.4132178.4-53-175.4000110.2W28 I43 T50 Y52 Y72 M73W28-L62 VanDerWaalsContact CD1-CD2 3.46Å; W28-L62 HydrophobicContact CG-CD2 4.01Å; I43-L62 HydrophobicContact CB-CB 4.13Å; I43-L62 HydrophobicContact CB-CD1 4.4Å; I43-L62 HydrophobicContact CD1-CB 4.26Å; I43-L62 HydrophobicContact CG2-CB 4.45Å; T50-L62 HydrophobicContact CG2-CB 4Å; Y52-L62 HydrophobicContact CE1-CD1 4.04Å; Y52-L62 HydrophobicContact CE1-CG 3.69Å; Y52-L62 PolarHBondContact OH-N 2.9Å; L62-Y72 WeakPolarHBondContact CA-O 3.45Å; L62-M73 HydrophobicContact CD2-CB 3.72Å; L62-M73 HydrophobicContact CD2-CG 3.68Å; L62-M73 HydrophobicContact CD2-SD 4.4Å
63T96.6Very high93.3Very high56 Ų5659.4 Ų59.434%0.34432%0.317SS..EExtended strand (participates in β ladder)trans-138.7163.2178.256.50000111T61 Y72T61-T63 HydrophobicContact CG2-CG2 4.3Å; T63-Y72 PolarHBondContact N-O 2.02Å; T63-Y72 PolarHBondContact O-N 2.78Å; T63-Y72 WeakPolarHBondContact OG1-CB 3.27Å
64V95.2Very high93.4Very high39 Ų3960.4 Ų60.424%0.23632%0.321CS..EExtended strand (participates in β ladder)trans-135.4135.5-178.269.70000109.7F21 I43 P45F21-V64 HydrophobicContact CE1-CG2 3.31Å; F21-V64 HydrophobicContact CZ-CG2 3.29Å; I43-V64 HydrophobicContact CD1-CB 3.99Å; I43-V64 HydrophobicContact CD1-CG1 4.26Å; P45-V64 HydrophobicContact CB-CG2 3.72Å
65D93.3Very high93.4Very high52 Ų5254.2 Ų54.228%0.27829%0.292SS..EExtended strand (participates in β ladder)trans-112.2107.5165.6176.29.6000109.1S67 S68 S69 T70 Y72D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 3.44Å; D65-S67 PolarHBondContact OD1-N 3.46Å; D65-S67 PolarHBondContact OD1-OG 3.29Å; D65-S67 PolarHBondContact OD2-OG 3.05Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.11Å; D65-S68 PolarHBondContact OD2-OG 2.83Å; D65-S69 WeakPolarHBondContact O-CA 3.3Å; D65-S69 PolarHBondContact O-N 2.87Å; D65-S69 VanDerWaalsContact O-N 3.07Å; D65-T70 PolarHBondContact N-O 3.16Å; D65-T70 PolarHBondContact O-N 2.94Å; D65-Y72 HydrophobicContact CB-CE2 3.85Å
66K89.9Confident93.6Very high112 Ų11248 Ų4849%0.48727%0.267SS..THydrogen-bonded Turntrans-69.8-30.5-179.6-64.3177.7178.5177.90112.2P45 S46 S69P45-K66 WeakPolarHBondContact O-CE 3.41Å; S46-K66 VanDerWaalsContact O-CE 3.25Å; S46-K66 WeakPolarHBondContact O-CE 3.36Å; S46-K66 PolarHBondContact O-NZ 3.07Å; K66-S69 PolarHBondContact O-N 2.88Å
67S89.9Confident93.7Very high109 Ų10950.2 Ų50.276%0.76229%0.286SS*.THydrogen-bonded Turntrans-67.8-40.5-176.7720000111.5D65D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 3.44Å; D65-S67 PolarHBondContact OD1-N 3.46Å; D65-S67 PolarHBondContact OD1-OG 3.29Å; D65-S67 PolarHBondContact OD2-OG 3.05Å
68S91.6Very high93.7Very high36 Ų3645.5 Ų45.525%0.25227%0.266SS..THydrogen-bonded Turntrans-92.3-4.8176.365.90000114K15 D65 T70K15-S68 PolarHBondContact NZ-O 2.79Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.11Å; D65-S68 PolarHBondContact OD2-OG 2.83Å; S68-T70 VanDerWaalsContact C-N 3.31Å; S68-T70 PolarHBondContact O-OG1 3.17Å; S68-T70 WeakPolarHBondContact OG-CB 3.37Å; S68-T70 PolarHBondContact OG-OG1 3.41Å
69S90.9Very high93.7Very high45 Ų4543.2 Ų43.232%0.31525%0.248SC..THydrogen-bonded Turntrans54.445.3-171.7-630000112.8F21 D65 K66F21-S69 WeakPolarHBondContact CD2-O 3.15Å; F21-S69 WeakPolarHBondContact CE2-O 3.44Å; F21-S69 VanDerWaalsContact CZ-C 3.48Å; D65-S69 WeakPolarHBondContact O-CA 3.3Å; D65-S69 PolarHBondContact O-N 2.87Å; D65-S69 VanDerWaalsContact O-N 3.07Å; K66-S69 PolarHBondContact O-N 2.88Å
70T93Very high93.5Very high14 Ų1446 Ų469%0.08627%0.274CS..EExtended strand (participates in β ladder)trans-123.4129.3-174.1-49.40000110.8D65 S68 Y72D65-T70 PolarHBondContact N-O 3.16Å; D65-T70 PolarHBondContact O-N 2.94Å; S68-T70 VanDerWaalsContact C-N 3.31Å; S68-T70 PolarHBondContact O-OG1 3.17Å; S68-T70 WeakPolarHBondContact OG-CB 3.37Å; S68-T70 PolarHBondContact OG-OG1 3.41Å; T70-Y72 HydrophobicContact CG2-CD1 4.33Å; T70-Y72 HydrophobicContact CG2-CD2 4.35Å; T70-Y72 HydrophobicContact CG2-CE1 3.74Å; T70-Y72 HydrophobicContact CG2-CE2 3.75Å
71A94.3Very high93.1Very high0 Ų052.1 Ų52.10%030%0.302CS..EExtended strand (participates in β ladder)trans-95.9147.1169.400000109.5S13 C14 F21 M26 I43S13-A71 CarbonylContact C-O 3.45Å; S13-A71 WeakPolarHBondContact CA-O 3.29Å; C14-A71 PolarHBondContact N-O 2.97Å; C14-A71 PolarHBondContact O-N 2.85Å; F21-A71 HydrophobicContact CE2-CB 4.13Å; F21-A71 HydrophobicContact CZ-CB 4.22Å; M26-A71 HydrophobicContact CB-CB 4.15Å; M26-A71 HydrophobicContact CE-CB 4.44Å; M26-A71 HydrophobicContact CG-CB 3.74Å; I43-A71 HydrophobicContact CG2-CB 4.49Å
72Y95.9Very high92.8Very high51 Ų5149.7 Ų49.720%0.229%0.287CS..EExtended strand (participates in β ladder)trans-130.1146.1179.3-56.3-91.2000111.5K11 M12 S13 L62 T63 D65 T70K11-Y72 HydrophobicContact CD-CD1 4.32Å; K11-Y72 VanDerWaalsContact CE-CD1 3.49Å; K11-Y72 VanDerWaalsContact CE-CG 3.47Å; K11-Y72 HydrophobicContact CG-CD1 4.21Å; M12-Y72 CarbonylContact O-C 3.54Å; M12-Y72 WeakPolarHBondContact O-CA 3.43Å; M12-Y72 WeakPolarHBondContact O-CB 3.19Å; S13-Y72 VanDerWaalsContact CB-CE1 3.45Å; L62-Y72 WeakPolarHBondContact CA-O 3.45Å; T63-Y72 PolarHBondContact N-O 2.02Å; T63-Y72 PolarHBondContact O-N 2.78Å; T63-Y72 WeakPolarHBondContact OG1-CB 3.27Å; D65-Y72 HydrophobicContact CB-CE2 3.85Å; T70-Y72 HydrophobicContact CG2-CD1 4.33Å; T70-Y72 HydrophobicContact CG2-CD2 4.35Å; T70-Y72 HydrophobicContact CG2-CE1 3.74Å; T70-Y72 HydrophobicContact CG2-CE2 3.75Å
73M96.8Very high92.6Very high0 Ų052.6 Ų52.60%031%0.308CS..EExtended strand (participates in β ladder)trans-120.6123.5165.4176-176.771.400108.3M12 W28 I40 A60 T61 L62 L75 Y86M12-M73 HydrophobicContact CG-CE 4.29Å; M12-M73 PolarHBondContact N-O 2.97Å; M12-M73 PolarHBondContact O-N 2.8Å; M12-M73 HydrophobicContact SD-CE 3.47Å; M12-M73 WeakPolarHBondContact SD-CE 3.43Å; W28-M73 HydrophobicContact CB-SD 3.89Å; W28-M73 HydrophobicContact CD2-CB 3.55Å; W28-M73 HydrophobicContact CD2-CE 4.45Å; W28-M73 HydrophobicContact CD2-CG 4.34Å; W28-M73 HydrophobicContact CD2-SD 4.02Å; W28-M73 HydrophobicContact CE3-CB 3.77Å; W28-M73 HydrophobicContact CE3-CE 3.79Å; W28-M73 HydrophobicContact CE3-CG 4.5Å; W28-M73 HydrophobicContact CE3-SD 3.96Å; W28-M73 HydrophobicContact CG-CB 4.08Å; W28-M73 HydrophobicContact CG-SD 4.01Å; W28-M73 HydrophobicContact CH2-CB 3.99Å; W28-M73 HydrophobicContact CZ2-CB 3.8Å; W28-M73 HydrophobicContact CZ3-CB 3.98Å; W28-M73 HydrophobicContact CZ3-CE 4.21Å; I40-M73 HydrophobicContact CD1-CE 4.2Å; I40-M73 HydrophobicContact CD1-SD 3.57Å; I40-M73 VanDerWaalsContact CD1-SD 3.57Å; I40-M73 HydrophobicContact CG2-SD 4.15Å; A60-M73 HydrophobicContact CB-CG 4.45Å; T61-M73 WeakPolarHBondContact O-CA 3.34Å; L62-M73 HydrophobicContact CD2-CB 3.72Å; L62-M73 HydrophobicContact CD2-CG 3.68Å; L62-M73 HydrophobicContact CD2-SD 4.4Å; M73-L75 HydrophobicContact CE-CD1 4.03Å; M73-L75 HydrophobicContact CE-CD2 4.4Å; M73-L75 HydrophobicContact CE-CG 4.09Å; M73-L75 HydrophobicContact CG-CD2 4.49Å; M73-L75 HydrophobicContact SD-CD2 4.24Å; M73-L75 HydrophobicContact SD-CG 4.49Å; M73-Y86 HydrophobicContact CE-CD1 3.59Å; M73-Y86 HydrophobicContact CE-CE1 4.11Å; M73-Y86 HydrophobicContact CE-CG 4.15Å
74Q96Very high92.4Very high68 Ų6850.1 Ų50.132%0.31829%0.293SS..EExtended strand (participates in β ladder)trans-102.7125.7170.9-178.1171.4-21.600109.2V10 K11 A60 T61 N76V10-Q74 CarbonylContact O-C 3.51Å; V10-Q74 VanDerWaalsContact O-CA 3.3Å; V10-Q74 WeakPolarHBondContact O-CA 3.38Å; K11-Q74 HydrophobicContact CG-CB 4.5Å; A60-Q74 CarbonylContact C-O 3.5Å; A60-Q74 WeakPolarHBondContact CA-O 3.34Å; T61-Q74 PolarHBondContact N-O 2.82Å; T61-Q74 PolarHBondContact O-N 3.34Å; Q74-N76 PolarHBondContact NE2-OD1 2.99Å
75L94.9Very high92.4Very high2 Ų249.8 Ų49.81%0.0129%0.291CS..EExtended strand (participates in β ladder)trans-103130.1169.7-64.1171.3000108.2S9 V10 K59 A60 M73 L78 Y86 L105S9-L75 CarbonylContact C-O 3.59Å; S9-L75 WeakPolarHBondContact CA-O 3.18Å; S9-L75 WeakPolarHBondContact CB-O 3.35Å; V10-L75 HydrophobicContact CG1-CB 3.99Å; V10-L75 HydrophobicContact CG1-CD1 4.25Å; V10-L75 HydrophobicContact CG1-CG 4.5Å; V10-L75 PolarHBondContact N-O 2.77Å; V10-L75 PolarHBondContact O-N 2.77Å; K59-L75 WeakPolarHBondContact O-CA 3.3Å; A60-L75 HydrophobicContact CB-CD2 3.89Å; M73-L75 HydrophobicContact CE-CD1 4.03Å; M73-L75 HydrophobicContact CE-CD2 4.4Å; M73-L75 HydrophobicContact CE-CG 4.09Å; M73-L75 HydrophobicContact CG-CD2 4.49Å; M73-L75 HydrophobicContact SD-CD2 4.24Å; M73-L75 HydrophobicContact SD-CG 4.49Å; L75-L78 HydrophobicContact CB-CD2 3.77Å; L75-L78 HydrophobicContact CD1-CD2 4.18Å; L75-Y86 HydrophobicContact CD1-CD1 4.35Å; L75-Y86 HydrophobicContact CD1-CE1 3.61Å; L75-Y86 HydrophobicContact CD1-CE2 4.15Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.48Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.42Å; L75-L105 HydrophobicContact CD1-CD2 4.12Å
76N92.8Very high92.5Very high46 Ų4647.6 Ų47.625%0.24628%0.279CS..  trans-109.2151.5179.6-61.7-53000111.4S9 K59 Q74 L78S9-N76 WeakPolarHBondContact CB-OD1 3.45Å; S9-N76 WeakPolarHBondContact OG-CA 3.44Å; S9-N76 PolarHBondContact OG-OD1 2.89Å; K59-N76 PolarHBondContact O-N 2.76Å; Q74-N76 PolarHBondContact NE2-OD1 2.99Å; N76-L78 PolarHBondContact O-N 2.85Å
77S92.2Very high92.7Very high79 Ų7944.3 Ų44.355%0.55226%0.264SS*.SBendtrans52.357.8174.9-55.10000111.9A8 K59 T79A8-S77 PolarHBondContact O-N 3.24Å; K59-S77 PolarHBondContact NZ-O 3.47Å; S77-T79 PolarHBondContact O-N 2.85Å
78L91.5Very high92.9Very high9 Ų939.8 Ų39.85%0.04723%0.232CC..  trans-59.9136.8-176.8-70.5172.3000111.5V4 P6 G7 A8 V10 L75 N76 D82 L105V4-L78 HydrophobicContact CB-CD1 3.9Å; V4-L78 HydrophobicContact CG1-CD1 4.29Å; V4-L78 HydrophobicContact CG2-CD1 3.63Å; P6-L78 WeakPolarHBondContact CA-O 3.44Å; G7-L78 PolarHBondContact N-O 2.78Å; A8-L78 WeakPolarHBondContact O-CB 3.45Å; A8-L78 VanDerWaalsContact O-CG 3.28Å; A8-L78 WeakPolarHBondContact O-CG 3.38Å; A8-L78 PolarHBondContact O-N 3.44Å; V10-L78 HydrophobicContact CB-CD1 4.13Å; V10-L78 HydrophobicContact CG1-CD1 3.93Å; V10-L78 HydrophobicContact CG1-CD2 4.35Å; L75-L78 HydrophobicContact CB-CD2 3.77Å; L75-L78 HydrophobicContact CD1-CD2 4.18Å; N76-L78 PolarHBondContact O-N 2.85Å; L78-D82 HydrophobicContact CD2-CB 3.69Å; L78-L105 HydrophobicContact CD1-CD2 4.02Å; L78-L105 HydrophobicContact CD2-CD2 3.72Å
79T91.1Very high92.8Very high65 Ų6538.1 Ų38.140%0.39922%0.22SC..  trans-118170.1171.958.60000110K59 S77 E81 D82K59-T79 PolarHBondContact NZ-OG1 2.85Å; S77-T79 PolarHBondContact O-N 2.85Å; T79-E81 PolarHBondContact O-N 2.84Å; T79-E81 VanDerWaalsContact O-N 3.13Å; T79-D82 PolarHBondContact N-OD2 3Å; T79-D82 WeakPolarHBondContact O-CB 3.38Å; T79-D82 PolarHBondContact O-N 2.83Å; T79-D82 PolarHBondContact OG1-OD2 2.89Å
80S87.9Confident92.4Very high111 Ų11136.5 Ų36.578%0.77621%0.207SC*.G310 helixtrans-56.1-29.4175.151.10000112.7D82 S83S80-D82 PolarHBondContact O-N 2.9Å; S80-S83 PolarHBondContact O-N 2.91Å
81E87.6Confident91.4Very high130 Ų13038.1 Ų38.161%0.60722%0.215SC*.G310 helixtrans-66.1-16.1175-63.8-171.5-172.100114.1K30 R32 T79 S83K30-E81 PolarHBondContact NZ-O 3.46Å; R32-E81 VanDerWaalsContact CZ-O 3.27Å; R32-E81 PolarHBondContact NE-O 2.94Å; R32-E81 PolarHBondContact NH2-O 2.98Å; T79-E81 PolarHBondContact O-N 2.84Å; T79-E81 VanDerWaalsContact O-N 3.13Å; E81-S83 VanDerWaalsContact C-N 3.33Å
82D90.7Very high89.9Confident11 Ų1139 Ų396%0.05923%0.225CC..G310 helixtrans-83.4-9.2176.1-64.4-45.2000113.5K30 K59 L78 T79 S80 A84 Y86K30-D82 IonicContact NZ-OD1 2.66Å; K30-D82 PolarHBondContact NZ-OD1 2.87Å; K59-D82 IonicContact NZ-OD1 3.41Å; K59-D82 IonicContact NZ-OD2 2.85Å; K59-D82 PolarHBondContact NZ-OD2 2.87Å; L78-D82 HydrophobicContact CD2-CB 3.69Å; T79-D82 PolarHBondContact N-OD2 3Å; T79-D82 WeakPolarHBondContact O-CB 3.38Å; T79-D82 PolarHBondContact O-N 2.83Å; T79-D82 PolarHBondContact OG1-OD2 2.89Å; S80-D82 PolarHBondContact O-N 2.9Å; D82-A84 PolarHBondContact O-N 2.82Å; D82-A84 VanDerWaalsContact O-N 3.15Å; D82-Y86 WeakPolarHBondContact O-CE2 3.3Å; D82-Y86 PolarHBondContact O-OH 3.46Å
83S91.9Very high87.9Confident70 Ų7046.6 Ų46.649%0.4925%0.254SS..  trans-66.3118.8173.9-171.70000111.1S80 E81 L105S80-S83 PolarHBondContact O-N 2.91Å; E81-S83 VanDerWaalsContact C-N 3.33Å; S83-L105 CarbonylContact C-O 3.57Å; S83-L105 WeakPolarHBondContact CA-O 3.41Å; S83-L105 PolarHBondContact OG-O 2.88Å
84A94Very high85.7Confident3 Ų356.1 Ų56.13%0.02529%0.292CS..SBendtrans-172.3169.9-170.400000110.4K30 Q31 R32 D82 Y86 L105K30-A84 HydrophobicContact CD-CB 4.14Å; K30-A84 HydrophobicContact CG-CB 3.52Å; Q31-A84 WeakPolarHBondContact O-CA 3.01Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.43Å; R32-A84 HydrophobicContact CG-CB 4.06Å; D82-A84 PolarHBondContact O-N 2.82Å; D82-A84 VanDerWaalsContact O-N 3.15Å; A84-Y86 HydrophobicContact CB-CD2 4.34Å; A84-Y86 HydrophobicContact CB-CE2 3.84Å; A84-L105 PolarHBondContact N-O 2.71Å; A84-L105 PolarHBondContact O-N 2.93Å
85V95.1Very high83.8Confident33 Ų3360.2 Ų60.220%0.232%0.315CS..EExtended strand (participates in β ladder)trans-92.1129.1162.1-168.80000108.7Q31 Y87Q31-V85 PolarHBondContact N-O 2.9Å; Q31-V85 PolarHBondContact O-N 2.82Å; V85-Y87 HydrophobicContact CB-CE2 3.85Å; V85-Y87 HydrophobicContact CG1-CD2 4.36Å; V85-Y87 HydrophobicContact CG1-CE1 3.83Å; V85-Y87 HydrophobicContact CG1-CE2 3.66Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.37Å
86Y95.3Very high82.2Confident5 Ų563.4 Ų63.42%0.0233%0.329CS..EExtended strand (participates in β ladder)trans-108.2130.9177.4-68.1-93.3000110M12 V29 K30 I40 M73 L75 D82 A84 G102 T103 L105M12-Y86 HydrophobicContact CE-CD2 4.26Å; M12-Y86 HydrophobicContact CE-CG 4.27Å; M12-Y86 HydrophobicContact SD-CD1 4.48Å; M12-Y86 HydrophobicContact SD-CD2 4.15Å; M12-Y86 HydrophobicContact SD-CG 3.86Å; V29-Y86 CarbonylContact O-C 3.6Å; V29-Y86 WeakPolarHBondContact O-CA 3.27Å; K30-Y86 HydrophobicContact CB-CD1 4.11Å; K30-Y86 HydrophobicContact CB-CE1 3.92Å; K30-Y86 HydrophobicContact CD-CE1 3.88Å; K30-Y86 WeakPolarHBondContact CE-OH 3.5Å; K30-Y86 HydrophobicContact CG-CD1 4.23Å; K30-Y86 HydrophobicContact CG-CE1 3.74Å; I40-Y86 HydrophobicContact CD1-CD1 3.73Å; I40-Y86 HydrophobicContact CD1-CE1 3.78Å; M73-Y86 HydrophobicContact CE-CD1 3.59Å; M73-Y86 HydrophobicContact CE-CE1 4.11Å; M73-Y86 HydrophobicContact CE-CG 4.15Å; L75-Y86 HydrophobicContact CD1-CD1 4.35Å; L75-Y86 HydrophobicContact CD1-CE1 3.61Å; L75-Y86 HydrophobicContact CD1-CE2 4.15Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.48Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.42Å; D82-Y86 WeakPolarHBondContact O-CE2 3.3Å; D82-Y86 PolarHBondContact O-OH 3.46Å; A84-Y86 HydrophobicContact CB-CD2 4.34Å; A84-Y86 HydrophobicContact CB-CE2 3.84Å; Y86-G102 CarbonylContact O-C 3.53Å; Y86-G102 WeakPolarHBondContact O-CA 3.25Å; Y86-T103 PolarHBondContact N-O 2.64Å; Y86-T103 PolarHBondContact O-N 3.21Å; Y86-L105 HydrophobicContact CD2-CB 4Å; Y86-L105 HydrophobicContact CE2-CB 3.81Å; Y86-L105 HydrophobicContact CE2-CD2 3.89Å
87Y94.1Very high80.9Confident44 Ų4463.5 Ų63.517%0.17334%0.34CS..EExtended strand (participates in β ladder)trans-117.5145179.6-55.4-88.5000109.9W28 V29 Q31 V85 W99 G102W28-Y87 WeakPolarHBondContact CA-O 2.94Å; V29-Y87 PolarHBondContact N-O 2.93Å; V29-Y87 PolarHBondContact O-N 2.78Å; Q31-Y87 HydrophobicContact CB-CD2 4.38Å; Q31-Y87 HydrophobicContact CB-CE2 3.7Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.28Å; Q31-Y87 PolarHBondContact OE1-OH 2.81Å; V85-Y87 HydrophobicContact CB-CE2 3.85Å; V85-Y87 HydrophobicContact CG1-CD2 4.36Å; V85-Y87 HydrophobicContact CG1-CE1 3.83Å; V85-Y87 HydrophobicContact CG1-CE2 3.66Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.37Å; Y87-W99 HydrophobicContact CD1-CE3 4.47Å; Y87-W99 HydrophobicContact CD2-CZ3 4.49Å; Y87-W99 HydrophobicContact CG-CE3 4.07Å; Y87-W99 HydrophobicContact CG-CZ3 4.25Å; Y87-G102 VanDerWaalsContact CD1-CA 3.4Å
88C92.9Very high80.2Confident14 Ų1464.3 Ų64.310%0.09533%0.332CS..EExtended strand (participates in β ladder)trans-98.7146.1157.4620000109.4C14 M26 H27 W28 G100C14-C88 HydrophobicContact CB-CB 3.43Å; C14-C88 VanDerWaalsContact CB-CB 3.43Å; C14-C88 WeakPolarHBondContact CB-SG 3.3Å; C14-C88 WeakPolarHBondContact SG-CB 3.37Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.6Å; M26-C88 HydrophobicContact SD-CB 3.83Å; H27-C88 CarbonylContact O-C 3.58Å; H27-C88 VanDerWaalsContact O-CA 3.23Å; H27-C88 WeakPolarHBondContact O-CA 3.34Å; W28-C88 HydrophobicContact CD2-CB 4.46Å; W28-C88 HydrophobicContact CE3-CB 4.25Å; W28-C88 HydrophobicContact CH2-CB 4.36Å; W28-C88 HydrophobicContact CZ3-CB 4.2Å; C88-G100 PolarHBondContact O-N 3.36Å
89A90.1Very high80Confident0 Ų069.3 Ų69.30%035%0.35CS..EExtended strand (participates in β ladder)trans-139.1148.9175.500000109.8H27 F96 Y98 W99H27-A89 PolarHBondContact N-O 3.44Å; H27-A89 PolarHBondContact O-N 3.32Å; A89-F96 HydrophobicContact CB-CD1 4.14Å; A89-Y98 VanDerWaalsContact CA-O 3.24Å; A89-Y98 WeakPolarHBondContact CA-O 3.15Å; A89-W99 HydrophobicContact CB-CD2 3.81Å; A89-W99 HydrophobicContact CB-CE3 4.11Å; A89-W99 HydrophobicContact CB-CG 4.19Å; A89-W99 HydrophobicContact CB-CH2 4.47Å; A89-W99 HydrophobicContact CB-CZ2 4.21Å; A89-W99 HydrophobicContact CB-CZ3 4.43Å
90F82.8Confident79.8Confident12 Ų1267.5 Ų67.55%0.05335%0.345CS..EExtended strand (participates in β ladder)trans-127.8139.7175.253.5-85.4000110.5P16 P17 Y19 M26 G92 Y98P16-F90 HydrophobicContact CB-CD1 4.1Å; P16-F90 HydrophobicContact CB-CE1 3.81Å; P16-F90 HydrophobicContact CB-CE2 4.47Å; P16-F90 HydrophobicContact CB-CZ 4Å; P17-F90 HydrophobicContact CG-CZ 4.3Å; Y19-F90 AromaticContact CD2-CE2 3.62Å; Y19-F90 HydrophobicContact CD2-CE2 3.62Å; Y19-F90 HydrophobicContact CD2-CZ 4.12Å; Y19-F90 AromaticContact CE2-CE2 3.98Å; Y19-F90 HydrophobicContact CE2-CE2 3.98Å; Y19-F90 HydrophobicContact CE2-CZ 4.42Å; Y19-F90 HydrophobicContact CG-CE2 4.48Å; M26-F90 HydrophobicContact SD-CB 4.49Å; F90-G92 PolarHBondContact O-N 2.8Å; F90-Y98 AromaticContact CD2-CD2 3.83Å; F90-Y98 HydrophobicContact CD2-CD2 3.83Å; F90-Y98 HydrophobicContact CD2-CG 4.12Å; F90-Y98 AromaticContact CE1-CG 3.97Å; F90-Y98 HydrophobicContact CE1-CG 3.97Å; F90-Y98 HydrophobicContact CE2-CD1 4.23Å; F90-Y98 AromaticContact CE2-CD2 3.1Å; F90-Y98 HydrophobicContact CE2-CD2 3.1Å; F90-Y98 HydrophobicContact CE2-CE2 4.01Å; F90-Y98 AromaticContact CE2-CG 3.27Å; F90-Y98 HydrophobicContact CE2-CG 3.27Å; F90-Y98 AromaticContact CZ-CD1 3.84Å; F90-Y98 HydrophobicContact CZ-CD1 3.84Å; F90-Y98 AromaticContact CZ-CD2 3.59Å; F90-Y98 HydrophobicContact CZ-CD2 3.59Å; F90-Y98 AromaticContact CZ-CG 3.18Å; F90-Y98 HydrophobicContact CZ-CG 3.18Å; F90-Y98 PolarHBondContact N-O 3.07Å
91N72Confident79.8Confident48 Ų4871.8 Ų71.826%0.25735%0.352SS..  trans-73115.9172.5-92.4-39.4000108.3Y24 H27 F96Y24-N91 WeakPolarHBondContact CB-O 3.31Å; Y24-N91 WeakPolarHBondContact CD1-O 3.41Å; Y24-N91 WeakPolarHBondContact CE1-O 3.14Å; H27-N91 PolarHBondContact NE2-ND2 2.8Å; N91-F96 PolarHBondContact OD1-N 3.25Å
92G61.7Low79.9Confident19 Ų1966.8 Ų66.820%0.19634%0.336CS..  trans-79.6-171.8158.400000110.4F90 Y94F90-G92 PolarHBondContact O-N 2.8Å; G92-Y94 CarbonylContact C-O 3.56Å; G92-Y94 CarbonylContact O-C 3.56Å; G92-Y94 PolarHBondContact O-N 3.45Å
93Y54.3Low79.9Confident209 Ų20969.4 Ų69.482%0.8235%0.352SS*.SBendtrans-54.9-13.7173-83.2-88.8000114.3Y24Y24-Y93 WeakPolarHBondContact OH-CD2 3.26Å; Y24-Y93 WeakPolarHBondContact OH-CE2 3.28Å
94Y51.9Low79.9Confident201 Ų20169.2 Ų69.279%0.78835%0.349SS*.SBendtrans-126140.3168.9-59.2-85.4000108.9G92 F96 G97G92-Y94 CarbonylContact C-O 3.56Å; G92-Y94 CarbonylContact O-C 3.56Å; G92-Y94 PolarHBondContact O-N 3.45Å; Y94-F96 PolarHBondContact O-N 3.48Å; Y94-G97 PolarHBondContact O-N 3.39Å
95L55.5Low79.6Confident154 Ų15470.2 Ų70.281%0.80635%0.353SS*.THydrogen-bonded Turntrans-26123.2-179.9-85.4127.7000114.4G97L95-G97 PolarHBondContact O-N 2.98Å
96F60.2Low78.8Confident69 Ų6972.1 Ų72.130%0.30336%0.361SS..THydrogen-bonded Turntrans33.646.8173.5-62.7-73000114.9H27 A89 N91 Y94 Y98 W99H27-F96 HydrophobicContact CB-CE1 4.01Å; H27-F96 AromaticContact CD2-CE1 3.59Å; H27-F96 AromaticContact CE1-CE1 3.58Å; H27-F96 AromaticContact CE1-CZ 3.72Å; H27-F96 AromaticContact CG-CE1 3.49Å; H27-F96 VanDerWaalsContact CG-CE1 3.49Å; H27-F96 AromaticContact ND1-CE1 3.48Å; H27-F96 WeakPolarHBondContact ND1-CE1 3.43Å; H27-F96 AromaticContact ND1-CZ 3.76Å; H27-F96 AromaticContact NE2-CE1 3.69Å; A89-F96 HydrophobicContact CB-CD1 4.14Å; N91-F96 PolarHBondContact OD1-N 3.25Å; Y94-F96 PolarHBondContact O-N 3.48Å; F96-Y98 PolarHBondContact O-N 2.59Å; F96-W99 PolarHBondContact O-NE1 2.96Å
97G66.6Low77.9Confident47 Ų4775.6 Ų75.649%0.48538%0.379SS..  trans-61.6-15.4-172.400000115.2Y94 L95Y94-G97 PolarHBondContact O-N 3.39Å; L95-G97 PolarHBondContact O-N 2.98Å
98Y77.7Confident77Confident97 Ų9777.3 Ų77.338%0.3839%0.39SS..EExtended strand (participates in β ladder)trans-138.7135.2-178.9-66-86.4000113.2Y19 A89 F90 F96Y19-Y98 HydrophobicContact CE2-CD2 4.14Å; Y19-Y98 HydrophobicContact CE2-CE1 4.28Å; Y19-Y98 AromaticContact CE2-CE2 3.57Å; Y19-Y98 HydrophobicContact CE2-CE2 3.57Å; Y19-Y98 AromaticContact CE2-CZ 3.69Å; Y19-Y98 AromaticContact CZ-CE2 3.74Å; Y19-Y98 AromaticContact CZ-CZ 3.86Å; Y19-Y98 VanDerWaalsContact OH-CZ 3.31Å; Y19-Y98 PolarHBondContact OH-OH 3.34Å; A89-Y98 VanDerWaalsContact CA-O 3.24Å; A89-Y98 WeakPolarHBondContact CA-O 3.15Å; F90-Y98 AromaticContact CD2-CD2 3.83Å; F90-Y98 HydrophobicContact CD2-CD2 3.83Å; F90-Y98 HydrophobicContact CD2-CG 4.12Å; F90-Y98 AromaticContact CE1-CG 3.97Å; F90-Y98 HydrophobicContact CE1-CG 3.97Å; F90-Y98 HydrophobicContact CE2-CD1 4.23Å; F90-Y98 AromaticContact CE2-CD2 3.1Å; F90-Y98 HydrophobicContact CE2-CD2 3.1Å; F90-Y98 HydrophobicContact CE2-CE2 4.01Å; F90-Y98 AromaticContact CE2-CG 3.27Å; F90-Y98 HydrophobicContact CE2-CG 3.27Å; F90-Y98 AromaticContact CZ-CD1 3.84Å; F90-Y98 HydrophobicContact CZ-CD1 3.84Å; F90-Y98 AromaticContact CZ-CD2 3.59Å; F90-Y98 HydrophobicContact CZ-CD2 3.59Å; F90-Y98 AromaticContact CZ-CG 3.18Å; F90-Y98 HydrophobicContact CZ-CG 3.18Å; F90-Y98 PolarHBondContact N-O 3.07Å; F96-Y98 PolarHBondContact O-N 2.59Å
99W86.9Confident76.1Confident113 Ų11381.1 Ų81.143%0.42841%0.408SS..EExtended strand (participates in β ladder)trans-122.3137.7175.6-7170.5000109.2V29 L37 Y87 A89 F96V29-W99 HydrophobicContact CB-CH2 4.21Å; V29-W99 HydrophobicContact CB-CZ3 3.93Å; V29-W99 HydrophobicContact CG1-CH2 4.12Å; V29-W99 HydrophobicContact CG1-CZ3 4.05Å; V29-W99 HydrophobicContact CG2-CH2 3.83Å; V29-W99 HydrophobicContact CG2-CZ3 3.94Å; L37-W99 HydrophobicContact CD1-CH2 3.9Å; L37-W99 HydrophobicContact CD1-CZ3 4.44Å; Y87-W99 HydrophobicContact CD1-CE3 4.47Å; Y87-W99 HydrophobicContact CD2-CZ3 4.49Å; Y87-W99 HydrophobicContact CG-CE3 4.07Å; Y87-W99 HydrophobicContact CG-CZ3 4.25Å; A89-W99 HydrophobicContact CB-CD2 3.81Å; A89-W99 HydrophobicContact CB-CE3 4.11Å; A89-W99 HydrophobicContact CB-CG 4.19Å; A89-W99 HydrophobicContact CB-CH2 4.47Å; A89-W99 HydrophobicContact CB-CZ2 4.21Å; A89-W99 HydrophobicContact CB-CZ3 4.43Å; F96-W99 PolarHBondContact O-NE1 2.96Å
100G86.5Confident75.2Confident27 Ų2786.1 Ų86.128%0.27843%0.433SS..  trans-65.9161.4166.300000110.7C88 G102C88-G100 PolarHBondContact O-N 3.36Å; G100-G102 PolarHBondContact O-N 2.95Å
101Q88.1Confident74.7Confident201 Ų20191.1 Ų91.194%0.93946%0.459SS*.  trans-61.4-17.2179.7-68.1-177.2-22.500113.7
102G89.7Confident74.9Confident26 Ų2694.1 Ų94.127%0.26847%0.473SS..  trans82.5152.6-17700000112.3Y86 Y87 G100Y86-G102 CarbonylContact O-C 3.53Å; Y86-G102 WeakPolarHBondContact O-CA 3.25Å; Y87-G102 VanDerWaalsContact CD1-CA 3.4Å; G100-G102 PolarHBondContact O-N 2.95Å
103T91.6Very high75.9Confident65 Ų6599.9 Ų99.940%0.39949%0.494SS..EExtended strand (participates in β ladder)trans-128.2125.9176.5-68.30000108.9M12 Y86M12-T103 VanDerWaalsContact CE-CB 3.41Å; M12-T103 HydrophobicContact CE-CG2 3.38Å; Y86-T103 PolarHBondContact N-O 2.64Å; Y86-T103 PolarHBondContact O-N 3.21Å
104T91.7Very high77.7Confident67 Ų6790.8 Ų90.841%0.41147%0.467SS..EExtended strand (participates in β ladder)trans-78.8127.8173.5-47.50000110.6A1 E2A1-T104 VanDerWaalsContact CA-O 3.29Å; A1-T104 WeakPolarHBondContact CA-O 3.3Å; A1-T104 HydrophobicContact CB-CG2 4.47Å; E2-T104 PolarHBondContact N-O 3.25Å
105L86.7Confident80.1Confident23 Ų2380.8 Ų80.812%0.1244%0.438CS..  trans-110.90169.8-162.571.5000110.3E2 V4 V10 L75 L78 S83 A84 Y86E2-L105 HydrophobicContact CB-CD1 4.14Å; V4-L105 HydrophobicContact CG2-CD1 3.3Å; V4-L105 HydrophobicContact CG2-CG 3.84Å; V10-L105 HydrophobicContact CB-CD1 4.16Å; V10-L105 HydrophobicContact CG1-CD1 3.91Å; V10-L105 HydrophobicContact CG1-CD2 3.7Å; V10-L105 HydrophobicContact CG1-CG 4.47Å; V10-L105 HydrophobicContact CG2-CD1 3.96Å; L75-L105 HydrophobicContact CD1-CD2 4.12Å; L78-L105 HydrophobicContact CD1-CD2 4.02Å; L78-L105 HydrophobicContact CD2-CD2 3.72Å; S83-L105 CarbonylContact C-O 3.57Å; S83-L105 WeakPolarHBondContact CA-O 3.41Å; S83-L105 PolarHBondContact OG-O 2.88Å; A84-L105 PolarHBondContact N-O 2.71Å; A84-L105 PolarHBondContact O-N 2.93Å; Y86-L105 HydrophobicContact CD2-CB 4Å; Y86-L105 HydrophobicContact CE2-CB 3.81Å; Y86-L105 HydrophobicContact CE2-CD2 3.89Å

Retrieved 105 of 105 residues in 22 ms (Link to these results)

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