X5J5T7_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5T7, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 100 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
1M95.1Very high93.4Very high66 Ų6665.9 Ų65.933%0.32541%0.412SS..  0146.8057.8-173.578.200109.6W17 Y61 M62 L64 Y75 V96M1-W17 HydrophobicContact CB-CH2 4.41Å; M1-W17 HydrophobicContact CB-CZ3 4.35Å; M1-W17 HydrophobicContact CG-CE3 4.18Å; M1-W17 HydrophobicContact CG-CH2 3.68Å; M1-W17 HydrophobicContact CG-CZ3 3.45Å; M1-W17 VanDerWaalsContact CG-CZ3 3.45Å; M1-W17 HydrophobicContact SD-CE3 3.7Å; M1-W17 HydrophobicContact SD-CH2 4.22Å; M1-W17 HydrophobicContact SD-CZ3 3.36Å; M1-W17 WeakPolarHBondContact SD-CZ3 3.42Å; M1-Y61 VanDerWaalsContact O-CA 3.27Å; M1-Y61 WeakPolarHBondContact O-CA 3.25Å; M1-M62 HydrophobicContact CE-CE 3.46Å; M1-M62 VanDerWaalsContact CE-CE 3.46Å; M1-M62 HydrophobicContact CG-CB 3.8Å; M1-M62 HydrophobicContact CG-CE 4.13Å; M1-M62 VanDerWaalsContact CG-O 3.3Å; M1-M62 WeakPolarHBondContact CG-O 3.3Å; M1-M62 PolarHBondContact N-O 2.74Å; M1-M62 PolarHBondContact O-N 2.78Å; M1-M62 HydrophobicContact SD-CB 4.34Å; M1-M62 HydrophobicContact SD-CE 3.2Å; M1-M62 WeakPolarHBondContact SD-CE 3.3Å; M1-L64 HydrophobicContact CE-CD1 3.72Å; M1-L64 HydrophobicContact CE-CG 4.39Å; M1-Y75 HydrophobicContact CE-CD1 3.98Å; M1-Y75 HydrophobicContact CE-CD2 4.21Å; M1-Y75 HydrophobicContact CE-CG 3.72Å; M1-Y75 HydrophobicContact SD-CD1 4.46Å; M1-Y75 HydrophobicContact SD-CG 4.21Å; M1-V96 HydrophobicContact CE-CG2 4.31Å
2S96.8Very high93.3Very high82 Ų8265.1 Ų65.157%0.57341%0.41SS*.EExtended strand (participates in β ladder)trans-119.1150.4-179.155.50000110.6A60 Y61S2-A60 CarbonylContact C-O 3.49Å; S2-A60 WeakPolarHBondContact CA-O 3.33Å; S2-Y61 VanDerWaalsContact CB-CE1 3.48Å
3C96.6Very high93.1Very high15 Ų1564.2 Ų64.210%0.10140%0.395CS..EExtended strand (participates in β ladder)trans-137.5111.9174.6179.40000108.4W17 S59 A60 C77C3-W17 HydrophobicContact CB-CH2 3.73Å; C3-W17 HydrophobicContact CB-CZ2 4Å; C3-S59 CarbonylContact O-C 3.49Å; C3-S59 WeakPolarHBondContact O-CA 3.34Å; C3-A60 PolarHBondContact N-O 3.24Å; C3-A60 PolarHBondContact O-N 3Å; C3-C77 HydrophobicContact CB-CB 3.44Å; C3-C77 VanDerWaalsContact CB-CB 3.44Å; C3-C77 WeakPolarHBondContact CB-SG 3.49Å; C3-C77 WeakPolarHBondContact SG-CB 3.12Å; C3-C77 CovalentContact SG-SG 2.03Å; C3-C77 PolarHBondContact SG-SG 3.24Å
4K96.2Very high93.2Very high157 Ų15762.4 Ų62.468%0.68338%0.377SS*.EExtended strand (participates in β ladder)trans-95123.3-179.8-173.4173.6-177.71770110S57K4-S57 WeakPolarHBondContact CE-O 3.43Å
5A93.6Very high93.3Very high11 Ų1158.5 Ų58.59%0.09135%0.353CS..  trans-75.1146.9174.400000111.1Y8 F10 S58A5-Y8 HydrophobicContact CB-CE1 4.04Å; A5-Y8 HydrophobicContact CB-CE2 3.88Å; A5-Y8 VanDerWaalsContact CB-CZ 3.46Å; A5-Y8 VanDerWaalsContact CB-OH 3.25Å; A5-Y8 WeakPolarHBondContact CB-OH 3.35Å; A5-F10 HydrophobicContact CB-CB 4.15Å; A5-F10 HydrophobicContact CB-CD2 3.34Å; A5-F10 HydrophobicContact CB-CE2 3.99Å; A5-F10 HydrophobicContact CB-CG 4.01Å; A5-S58 WeakPolarHBondContact CB-O 3.25Å; A5-S58 PolarHBondContact N-O 2.98Å
6S91.9Very high93.5Very high102 Ų10255.3 Ų55.371%0.71333%0.333SS*.  trans-148.7146.9173.962.50000110.6Y8S6-Y8 WeakPolarHBondContact O-CD1 3.4Å; S6-Y8 WeakPolarHBondContact O-CE1 3.42Å
7G90.1Very high93.8Very high90 Ų9052.3 Ų52.393%0.92832%0.315SS*.SBendtrans78.613.5176.100000116
8Y87.7Confident94Very high50 Ų5049.5 Ų49.520%0.19630%0.298CS..SBendtrans-159.6165.4175.761.5-91.4000112.4A5 S6 F10 Y13 M15 R79A5-Y8 HydrophobicContact CB-CE1 4.04Å; A5-Y8 HydrophobicContact CB-CE2 3.88Å; A5-Y8 VanDerWaalsContact CB-CZ 3.46Å; A5-Y8 VanDerWaalsContact CB-OH 3.25Å; A5-Y8 WeakPolarHBondContact CB-OH 3.35Å; S6-Y8 WeakPolarHBondContact O-CD1 3.4Å; S6-Y8 WeakPolarHBondContact O-CE1 3.42Å; Y8-F10 HydrophobicContact CE2-CD2 4.41Å; Y8-F10 PolarHBondContact O-N 2.92Å; Y8-F10 VanDerWaalsContact O-N 3.09Å; Y8-Y13 AromaticContact CD2-CD2 3.34Å; Y8-Y13 HydrophobicContact CD2-CD2 3.34Å; Y8-Y13 AromaticContact CD2-CE2 3.59Å; Y8-Y13 HydrophobicContact CD2-CE2 3.59Å; Y8-Y13 HydrophobicContact CD2-CG 4.47Å; Y8-Y13 AromaticContact CE2-CD2 3.74Å; Y8-Y13 HydrophobicContact CE2-CD2 3.74Å; Y8-Y13 HydrophobicContact CE2-CE2 4.41Å; Y8-Y13 HydrophobicContact CG-CD2 4.25Å; Y8-Y13 HydrophobicContact CG-CE2 4.11Å; Y8-M15 WeakPolarHBondContact OH-CE 3.42Å; Y8-R79 HydrophobicContact CE2-CG 4.45Å; Y8-R79 VanDerWaalsContact CG-NH1 3.32Å
9T92.6Very high94.1Very high88 Ų8847 Ų4754%0.5428%0.283SS..  trans-70.7101.2174.1-52.60000110.3T11 S12 Y13T9-T11 PolarHBondContact O-N 2.8Å; T9-T11 VanDerWaalsContact O-N 3.17Å; T9-S12 WeakPolarHBondContact CG2-OG 3.35Å; T9-S12 WeakPolarHBondContact O-CB 3.41Å; T9-S12 PolarHBondContact O-N 2.96Å; T9-Y13 VanDerWaalsContact O-CD2 3.3Å; T9-Y13 WeakPolarHBondContact O-CD2 3.39Å
10F93.2Very high94.3Very high8 Ų848.2 Ų48.24%0.03529%0.285CS..G310 helixtrans-54.6-37.5-172.9178-125.1000113.8A5 Y8 S12 M15 P34 V53 S58 A60A5-F10 HydrophobicContact CB-CB 4.15Å; A5-F10 HydrophobicContact CB-CD2 3.34Å; A5-F10 HydrophobicContact CB-CE2 3.99Å; A5-F10 HydrophobicContact CB-CG 4.01Å; Y8-F10 HydrophobicContact CE2-CD2 4.41Å; Y8-F10 PolarHBondContact O-N 2.92Å; Y8-F10 VanDerWaalsContact O-N 3.09Å; F10-S12 PolarHBondContact O-N 2.86Å; F10-M15 HydrophobicContact CD2-CE 4.46Å; F10-M15 HydrophobicContact CE2-CE 3.88Å; F10-P34 HydrophobicContact CD1-CB 3.73Å; F10-P34 HydrophobicContact CD1-CG 4.06Å; F10-P34 HydrophobicContact CD2-CG 4.05Å; F10-P34 HydrophobicContact CE1-CB 3.48Å; F10-P34 VanDerWaalsContact CE1-CB 3.48Å; F10-P34 HydrophobicContact CE1-CG 3.71Å; F10-P34 HydrophobicContact CE2-CB 4.38Å; F10-P34 HydrophobicContact CE2-CG 3.69Å; F10-P34 HydrophobicContact CG-CB 4.32Å; F10-P34 HydrophobicContact CG-CG 4.24Å; F10-P34 HydrophobicContact CZ-CB 3.83Å; F10-P34 HydrophobicContact CZ-CG 3.52Å; F10-P34 WeakPolarHBondContact O-CG 3.45Å; F10-V53 HydrophobicContact CE1-CB 4.48Å; F10-V53 HydrophobicContact CE1-CG1 4.48Å; F10-V53 HydrophobicContact CZ-CG1 4.18Å; F10-S58 VanDerWaalsContact CD1-CA 3.49Å; F10-A60 HydrophobicContact CE2-CB 4.44Å; F10-A60 HydrophobicContact CZ-CB 4.05Å
11T94.1Very high94.4Very high56 Ų5648.6 Ų48.634%0.34428%0.282SS..G310 helixtrans-74.9-4.9-178.652.60000114.9T9 H33 P34 T55T9-T11 PolarHBondContact O-N 2.8Å; T9-T11 VanDerWaalsContact O-N 3.17Å; T11-H33 PolarHBondContact O-CE1 2.8Å; T11-H33 VanDerWaalsContact O-CE1 3.23Å; T11-P34 HydrophobicContact CG2-CB 4.42Å; T11-T55 HydrophobicContact CG2-CG2 3.87Å
12S91.8Very high94.3Very high56 Ų5651 Ų5139%0.39230%0.302SS..G310 helixtrans-93.2-1.7-179.5-55.90000114.1T9 F10T9-S12 WeakPolarHBondContact CG2-OG 3.35Å; T9-S12 WeakPolarHBondContact O-CB 3.41Å; T9-S12 PolarHBondContact O-N 2.96Å; F10-S12 PolarHBondContact O-N 2.86Å
13Y91.2Very high94.1Very high54 Ų5451.7 Ų51.721%0.21232%0.322CS..SBendtrans-138.1150.1-170.2-55.9-68.4000113.2Y8 T9 P34 R79 L81Y8-Y13 AromaticContact CD2-CD2 3.34Å; Y8-Y13 HydrophobicContact CD2-CD2 3.34Å; Y8-Y13 AromaticContact CD2-CE2 3.59Å; Y8-Y13 HydrophobicContact CD2-CE2 3.59Å; Y8-Y13 HydrophobicContact CD2-CG 4.47Å; Y8-Y13 AromaticContact CE2-CD2 3.74Å; Y8-Y13 HydrophobicContact CE2-CD2 3.74Å; Y8-Y13 HydrophobicContact CE2-CE2 4.41Å; Y8-Y13 HydrophobicContact CG-CD2 4.25Å; Y8-Y13 HydrophobicContact CG-CE2 4.11Å; T9-Y13 VanDerWaalsContact O-CD2 3.3Å; T9-Y13 WeakPolarHBondContact O-CD2 3.39Å; Y13-P34 WeakPolarHBondContact O-CD 3.49Å; Y13-R79 HydrophobicContact CG-CG 4.14Å; Y13-L81 HydrophobicContact CD1-CD1 4.02Å; Y13-L81 HydrophobicContact CD1-CG 4.06Å; Y13-L81 HydrophobicContact CE1-CB 4.43Å; Y13-L81 HydrophobicContact CE1-CD1 3.26Å; Y13-L81 HydrophobicContact CE1-CG 3.53Å
14W93.8Very high94Very high38 Ų3855.5 Ų55.514%0.14434%0.338CS..EExtended strand (participates in β ladder)trans-73.6134.6169.4-70.586.9000110.7H16 R31 H33 D38 K80W14-H16 WeakPolarHBondContact CB-NE2 3.49Å; W14-R31 HydrophobicContact CD2-CG 4.37Å; W14-R31 HydrophobicContact CE3-CB 3.98Å; W14-R31 VanDerWaalsContact CE3-CD 3.44Å; W14-R31 HydrophobicContact CE3-CG 3.47Å; W14-R31 VanDerWaalsContact CE3-CG 3.47Å; W14-R31 HydrophobicContact CZ3-CG 3.72Å; W14-H33 AromaticContact CD1-CD2 3.64Å; W14-H33 HydrophobicContact CD2-CB 3.85Å; W14-H33 AromaticContact CD2-CD2 3.7Å; W14-H33 AromaticContact CE2-CD2 3.53Å; W14-H33 AromaticContact CE2-CG 4Å; W14-H33 HydrophobicContact CE3-CB 3.64Å; W14-H33 AromaticContact CG-CD2 3.8Å; W14-H33 HydrophobicContact CH2-CB 3.62Å; W14-H33 HydrophobicContact CZ2-CB 3.8Å; W14-H33 HydrophobicContact CZ3-CB 3.54Å; W14-H33 AromaticContact NE1-CD2 3.46Å; W14-H33 PolarHBondContact NE1-CD2 3Å; W14-D38 HydrophobicContact CH2-CB 3.97Å; W14-D38 WeakPolarHBondContact CH2-OD2 2.75Å; W14-D38 WeakPolarHBondContact CZ3-O 3.49Å; W14-K80 HydrophobicContact CB-CB 4.46Å; W14-K80 PolarHBondContact O-N 3.23Å; W14-K80 VanDerWaalsContact O-N 3.11Å
15M95.6Very high93.9Very high4 Ų450.6 Ų50.62%0.0233%0.332CS..EExtended strand (participates in β ladder)trans-99.6122.2167.7-170.259.667.100109.5Y8 F10 R31 I32 A60 C77Y8-M15 WeakPolarHBondContact OH-CE 3.42Å; F10-M15 HydrophobicContact CD2-CE 4.46Å; F10-M15 HydrophobicContact CE2-CE 3.88Å; M15-R31 CarbonylContact O-C 3.59Å; M15-R31 WeakPolarHBondContact O-CA 3.22Å; M15-R31 WeakPolarHBondContact O-CB 3.33Å; M15-I32 HydrophobicContact CB-CG2 4.21Å; M15-I32 PolarHBondContact N-O 2.65Å; M15-I32 PolarHBondContact O-N 2.9Å; M15-A60 HydrophobicContact CB-CB 4.12Å; M15-A60 HydrophobicContact CG-CB 3.62Å; M15-C77 HydrophobicContact SD-CB 3.99Å
16H96.6Very high93.9Very high7 Ų754.7 Ų54.73%0.03235%0.352CS..EExtended strand (participates in β ladder)trans-106.9149.5-178.4-68.9-109.5000110.8W14 W28 G30 R31 C77 A78 K80 F87W14-H16 WeakPolarHBondContact CB-NE2 3.49Å; H16-W28 AromaticContact CG-NE1 3.93Å; H16-W28 AromaticContact ND1-CD1 3.9Å; H16-W28 AromaticContact ND1-CE2 3.92Å; H16-W28 AromaticContact ND1-NE1 3.1Å; H16-W28 PolarHBondContact ND1-NE1 3.23Å; H16-W28 VanDerWaalsContact ND1-NE1 3.1Å; H16-G30 WeakPolarHBondContact CA-O 3.42Å; H16-R31 WeakPolarHBondContact CE1-CD 3.2Å; H16-C77 CarbonylContact O-C 3.52Å; H16-C77 WeakPolarHBondContact O-CA 3.43Å; H16-A78 HydrophobicContact CB-CB 4.46Å; H16-A78 WeakPolarHBondContact CB-O 3.34Å; H16-A78 PolarHBondContact N-O 2.79Å; H16-A78 PolarHBondContact O-N 2.8Å; H16-K80 VanDerWaalsContact NE2-CB 3.33Å; H16-K80 WeakPolarHBondContact NE2-CB 3.3Å; H16-F87 HydrophobicContact CB-CD1 4.49Å; H16-F87 HydrophobicContact CB-CE1 3.78Å; H16-F87 HydrophobicContact CB-CZ 4.06Å; H16-F87 AromaticContact CD2-CE1 3.61Å; H16-F87 AromaticContact CE1-CE1 3.73Å; H16-F87 AromaticContact CG-CE1 3.34Å; H16-F87 AromaticContact CG-CZ 3.86Å; H16-F87 AromaticContact ND1-CE1 3.42Å; H16-F87 WeakPolarHBondContact ND1-CE1 3.49Å; H16-F87 AromaticContact ND1-CZ 3.65Å; H16-F87 AromaticContact NE2-CE1 3.85Å
17W97.8Very high94.2Very high5 Ų551.3 Ų51.32%0.01933%0.325CS..EExtended strand (participates in β ladder)trans-118.9136.7172.8-66.891.7000110.2M1 C3 I29 G30 L51 A60 M62 Y76 C77M1-W17 HydrophobicContact CB-CH2 4.41Å; M1-W17 HydrophobicContact CB-CZ3 4.35Å; M1-W17 HydrophobicContact CG-CE3 4.18Å; M1-W17 HydrophobicContact CG-CH2 3.68Å; M1-W17 HydrophobicContact CG-CZ3 3.45Å; M1-W17 VanDerWaalsContact CG-CZ3 3.45Å; M1-W17 HydrophobicContact SD-CE3 3.7Å; M1-W17 HydrophobicContact SD-CH2 4.22Å; M1-W17 HydrophobicContact SD-CZ3 3.36Å; M1-W17 WeakPolarHBondContact SD-CZ3 3.42Å; C3-W17 HydrophobicContact CB-CH2 3.73Å; C3-W17 HydrophobicContact CB-CZ2 4Å; W17-I29 HydrophobicContact CB-CB 4.15Å; W17-I29 HydrophobicContact CB-CD1 4.28Å; W17-I29 WeakPolarHBondContact O-CB 3.44Å; W17-I29 PolarHBondContact O-N 3.03Å; W17-G30 PolarHBondContact N-O 3.31Å; W17-L51 VanDerWaalsContact CD1-CD2 3.43Å; W17-L51 HydrophobicContact CG-CD2 4.08Å; W17-A60 HydrophobicContact CZ2-CB 4.41Å; W17-M62 HydrophobicContact CB-CE 4.33Å; W17-M62 HydrophobicContact CB-SD 3.85Å; W17-M62 HydrophobicContact CD2-CB 3.68Å; W17-M62 HydrophobicContact CD2-CE 4.25Å; W17-M62 HydrophobicContact CD2-SD 4.19Å; W17-M62 HydrophobicContact CE3-CB 4.04Å; W17-M62 HydrophobicContact CE3-CE 3.91Å; W17-M62 HydrophobicContact CE3-SD 4.45Å; W17-M62 HydrophobicContact CG-CB 4.13Å; W17-M62 HydrophobicContact CG-CE 4.46Å; W17-M62 HydrophobicContact CG-SD 3.95Å; W17-M62 HydrophobicContact CH2-CB 4.23Å; W17-M62 HydrophobicContact CZ2-CB 3.9Å; W17-M62 HydrophobicContact CZ3-CB 4.31Å; W17-Y76 WeakPolarHBondContact CA-O 3.35Å; W17-C77 HydrophobicContact CD2-CB 4.4Å; W17-C77 HydrophobicContact CE3-CB 4.1Å; W17-C77 HydrophobicContact CH2-CB 4.18Å; W17-C77 HydrophobicContact CZ2-CB 4.46Å; W17-C77 HydrophobicContact CZ3-CB 3.98Å
18V97.6Very high94.5Very high2 Ų250.2 Ų50.21%0.01229%0.293CS..EExtended strand (participates in β ladder)trans-138.4138.5-173.6-176.50000109.3L26 E27 Y75 Y76 W90V18-L26 HydrophobicContact CG1-CB 3.78Å; V18-L26 HydrophobicContact CG1-CD2 3.89Å; V18-L26 HydrophobicContact CG1-CG 4.32Å; V18-E27 CarbonylContact C-O 3.59Å; V18-E27 WeakPolarHBondContact CA-O 3.36Å; V18-Y75 CarbonylContact O-C 3.59Å; V18-Y75 WeakPolarHBondContact O-CA 3.41Å; V18-Y76 PolarHBondContact N-O 3.12Å; V18-Y76 PolarHBondContact O-N 3.17Å; V18-W90 HydrophobicContact CB-CH2 4.27Å; V18-W90 HydrophobicContact CB-CZ3 3.9Å; V18-W90 HydrophobicContact CG1-CH2 4.21Å; V18-W90 HydrophobicContact CG1-CZ3 4.14Å; V18-W90 HydrophobicContact CG2-CH2 3.9Å; V18-W90 HydrophobicContact CG2-CZ3 3.85Å
19K96.8Very high94.9Very high2 Ų247.8 Ų47.81%0.00928%0.284CS..EExtended strand (participates in β ladder)trans-106.3140.9175.4-178.2-177.9178.1-1770109.6E27 I29 F45 E70 D71 A73 Y75K19-E27 HydrophobicContact CB-CB 4.4Å; K19-E27 PolarHBondContact N-O 3.02Å; K19-E27 PolarHBondContact O-N 2.82Å; K19-I29 HydrophobicContact CB-CD1 4.02Å; K19-I29 HydrophobicContact CB-CG1 4.18Å; K19-F45 HydrophobicContact CD-CE1 4.05Å; K19-F45 HydrophobicContact CD-CZ 4.01Å; K19-E70 PolarHBondContact NZ-O 2.85Å; K19-D71 IonicContact NZ-OD1 3.31Å; K19-D71 PolarHBondContact NZ-OD1 3.19Å; K19-A73 HydrophobicContact CD-CB 4.13Å; K19-A73 HydrophobicContact CG-CB 3.48Å; K19-A73 VanDerWaalsContact CG-CB 3.48Å; K19-Y75 HydrophobicContact CB-CD1 4.19Å; K19-Y75 HydrophobicContact CB-CE1 3.97Å; K19-Y75 HydrophobicContact CD-CE1 4.01Å; K19-Y75 WeakPolarHBondContact CE-OH 3.41Å; K19-Y75 HydrophobicContact CG-CD1 4.34Å; K19-Y75 HydrophobicContact CG-CE1 3.81Å
20Q97.6Very high95.1Very high70 Ų7043.6 Ų43.633%0.32726%0.258SS..EExtended strand (participates in β ladder)trans-131117.2169.6-165.2-18024.300110.4L26 A73 V74 Y76Q20-L26 HydrophobicContact CB-CD2 3.89Å; Q20-L26 HydrophobicContact CG-CD2 3.99Å; Q20-A73 WeakPolarHBondContact O-CA 3.1Å; Q20-A73 VanDerWaalsContact O-CB 3.25Å; Q20-A73 WeakPolarHBondContact O-CB 3.36Å; Q20-V74 PolarHBondContact N-O 2.84Å; Q20-V74 PolarHBondContact O-N 3.13Å; Q20-Y76 HydrophobicContact CB-CD2 4.48Å; Q20-Y76 HydrophobicContact CB-CE2 3.8Å; Q20-Y76 PolarHBondContact OE1-OH 2.93Å
21R95.8Very high95.3Very high58 Ų5846.6 Ų46.622%0.21927%0.269CS..  trans-84.9151170.1-63.2-170.4-177.4128.3-11.8110.3G23 Q24 E27 E70 A73R21-G23 PolarHBondContact O-N 2.98Å; R21-Q24 HydrophobicContact CB-CB 4.02Å; R21-Q24 HydrophobicContact CB-CG 4.03Å; R21-Q24 PolarHBondContact O-N 3.31Å; R21-E27 IonicContact NH1-OE1 3.18Å; R21-E70 VanDerWaalsContact CZ-O 3.25Å; R21-E70 PolarHBondContact NE-O 3.01Å; R21-E70 PolarHBondContact NH2-O 2.85Å; R21-A73 HydrophobicContact CG-CB 4.18Å
22P92.4Very high95.4Very high117 Ų11744 Ų4476%0.7625%0.253SS*.THydrogen-bonded Turntrans-52.7127173-25.234.4000111.3Q24P22-Q24 PolarHBondContact O-N 2.88Å
23G93.1Very high95.6Very high95 Ų9542.3 Ų42.398%0.97924%0.239SC*.THydrogen-bonded Turntrans71.65-179.700000115.8R21R21-G23 PolarHBondContact O-N 2.98Å
24Q94.1Very high95.8Very high95 Ų9539.9 Ų39.944%0.44423%0.23SC..SBendtrans-113.4161.5176.1-57.4-170.50.200111.9R21 P22R21-Q24 HydrophobicContact CB-CB 4.02Å; R21-Q24 HydrophobicContact CB-CG 4.03Å; R21-Q24 PolarHBondContact O-N 3.31Å; P22-Q24 PolarHBondContact O-N 2.88Å
25G94Very high95.9Very high55 Ų5541.5 Ų41.557%0.56725%0.247SC*.  trans-67.9174.1173.600000113.2
26L95.4Very high95.9Very high96 Ų9646.1 Ų46.150%0.50327%0.271SS..EExtended strand (participates in β ladder)trans-72.2126.8174.4-64.6172.9000110.4V18 Q20 W90V18-L26 HydrophobicContact CG1-CB 3.78Å; V18-L26 HydrophobicContact CG1-CD2 3.89Å; V18-L26 HydrophobicContact CG1-CG 4.32Å; Q20-L26 HydrophobicContact CB-CD2 3.89Å; Q20-L26 HydrophobicContact CG-CD2 3.99Å; L26-W90 HydrophobicContact CD1-CH2 3.87Å; L26-W90 HydrophobicContact CD1-CZ2 4.36Å
27E96.3Very high95.9Very high32 Ų3249 Ų4915%0.1529%0.293CS..EExtended strand (participates in β ladder)trans-106.4114.5173.5-68-168.4-89.100109.8V18 K19 R21 I29 K44V18-E27 CarbonylContact C-O 3.59Å; V18-E27 WeakPolarHBondContact CA-O 3.36Å; K19-E27 HydrophobicContact CB-CB 4.4Å; K19-E27 PolarHBondContact N-O 3.02Å; K19-E27 PolarHBondContact O-N 2.82Å; R21-E27 IonicContact NH1-OE1 3.18Å; E27-I29 PolarHBondContact O-N 2.9Å; E27-K44 IonicContact OE2-NZ 2.56Å; E27-K44 PolarHBondContact OE2-NZ 3.48Å
28W96.4Very high95.9Very high66 Ų6652.8 Ų52.825%0.2531%0.313CS..EExtended strand (participates in β ladder)trans-71.3127.7175.3-179.471000110.9H16 G30 R31 N40 N42H16-W28 AromaticContact CG-NE1 3.93Å; H16-W28 AromaticContact ND1-CD1 3.9Å; H16-W28 AromaticContact ND1-CE2 3.92Å; H16-W28 AromaticContact ND1-NE1 3.1Å; H16-W28 PolarHBondContact ND1-NE1 3.23Å; H16-W28 VanDerWaalsContact ND1-NE1 3.1Å; W28-G30 VanDerWaalsContact CE2-C 3.49Å; W28-G30 PolarHBondContact NE1-O 2.92Å; W28-R31 HydrophobicContact CZ2-CB 3.98Å; W28-R31 HydrophobicContact CZ2-CG 3.89Å; W28-N40 HydrophobicContact CH2-CB 4.39Å; W28-N40 WeakPolarHBondContact CH2-OD1 3.24Å; W28-N42 HydrophobicContact CE3-CB 3.82Å; W28-N42 HydrophobicContact CZ3-CB 3.98Å; W28-N42 WeakPolarHBondContact O-CB 3.5Å; W28-N42 PolarHBondContact O-ND2 3.12Å
29I97.5Very high95.9Very high0 Ų055.1 Ų55.10%033%0.327CS..EExtended strand (participates in β ladder)trans-91.8-51.5-177.9-61173.5000110.5W17 K19 E27 N42 F45 A49 M62 Y75W17-I29 HydrophobicContact CB-CB 4.15Å; W17-I29 HydrophobicContact CB-CD1 4.28Å; W17-I29 WeakPolarHBondContact O-CB 3.44Å; W17-I29 PolarHBondContact O-N 3.03Å; K19-I29 HydrophobicContact CB-CD1 4.02Å; K19-I29 HydrophobicContact CB-CG1 4.18Å; E27-I29 PolarHBondContact O-N 2.9Å; I29-N42 WeakPolarHBondContact O-CB 3.25Å; I29-N42 PolarHBondContact O-N 2.82Å; I29-F45 HydrophobicContact CB-CD2 4.28Å; I29-F45 HydrophobicContact CB-CG 4.22Å; I29-F45 HydrophobicContact CG1-CD1 4.13Å; I29-F45 HydrophobicContact CG1-CD2 4.23Å; I29-F45 HydrophobicContact CG1-CE1 4.02Å; I29-F45 HydrophobicContact CG1-CE2 4.11Å; I29-F45 HydrophobicContact CG1-CG 4.23Å; I29-F45 HydrophobicContact CG1-CZ 4.01Å; I29-F45 HydrophobicContact CG2-CB 3.74Å; I29-F45 HydrophobicContact CG2-CD1 4.04Å; I29-F45 HydrophobicContact CG2-CD2 4.3Å; I29-F45 HydrophobicContact CG2-CG 3.78Å; I29-A49 HydrophobicContact CG2-CB 3.78Å; I29-M62 HydrophobicContact CD1-CE 3.64Å; I29-M62 HydrophobicContact CD1-SD 3.79Å; I29-M62 HydrophobicContact CG2-SD 3.78Å; I29-Y75 HydrophobicContact CD1-CD1 3.72Å; I29-Y75 HydrophobicContact CD1-CE1 3.85Å
30G97.1Very high95.8Very high0 Ų058.7 Ų58.70%035%0.347CS..EExtended strand (participates in β ladder)trans176.2178.6-171.300000112.5H16 W17 W28 N40H16-G30 WeakPolarHBondContact CA-O 3.42Å; W17-G30 PolarHBondContact N-O 3.31Å; W28-G30 VanDerWaalsContact CE2-C 3.49Å; W28-G30 PolarHBondContact NE1-O 2.92Å; G30-N40 CarbonylContact C-O 3.54Å; G30-N40 WeakPolarHBondContact CA-O 2.98Å
31R96.3Very high95.8Very high70 Ų7057.8 Ų57.826%0.26434%0.341SS..EExtended strand (participates in β ladder)trans-145.3155.1174.669.3-176.9-174.8-179.1-4.6111.2W14 M15 H16 W28 T39 N40W14-R31 HydrophobicContact CD2-CG 4.37Å; W14-R31 HydrophobicContact CE3-CB 3.98Å; W14-R31 VanDerWaalsContact CE3-CD 3.44Å; W14-R31 HydrophobicContact CE3-CG 3.47Å; W14-R31 VanDerWaalsContact CE3-CG 3.47Å; W14-R31 HydrophobicContact CZ3-CG 3.72Å; M15-R31 CarbonylContact O-C 3.59Å; M15-R31 WeakPolarHBondContact O-CA 3.22Å; M15-R31 WeakPolarHBondContact O-CB 3.33Å; H16-R31 WeakPolarHBondContact CE1-CD 3.2Å; W28-R31 HydrophobicContact CZ2-CB 3.98Å; W28-R31 HydrophobicContact CZ2-CG 3.89Å; R31-T39 WeakPolarHBondContact O-CA 3.36Å; R31-N40 HydrophobicContact CG-CB 4.06Å; R31-N40 PolarHBondContact N-O 3.46Å; R31-N40 PolarHBondContact O-N 3.12Å
32I97.2Very high95.9Very high2 Ų257.2 Ų57.21%0.0134%0.342CS..EExtended strand (participates in β ladder)trans-134.1137.8173-174.5159.1000109.7M15 D38 T39 L51 V53M15-I32 HydrophobicContact CB-CG2 4.21Å; M15-I32 PolarHBondContact N-O 2.65Å; M15-I32 PolarHBondContact O-N 2.9Å; I32-D38 CarbonylContact C-O 3.59Å; I32-D38 VanDerWaalsContact CA-O 3.26Å; I32-D38 WeakPolarHBondContact CA-O 3.47Å; I32-T39 HydrophobicContact CB-CG2 3.98Å; I32-T39 HydrophobicContact CD1-CG2 3.64Å; I32-T39 HydrophobicContact CG1-CG2 3.74Å; I32-L51 HydrophobicContact CB-CB 4.12Å; I32-L51 HydrophobicContact CB-CD1 4.36Å; I32-L51 HydrophobicContact CD1-CB 4.19Å; I32-L51 HydrophobicContact CG2-CB 4.32Å; I32-V53 HydrophobicContact CB-CG1 4.45Å; I32-V53 HydrophobicContact CD1-CB 4.46Å; I32-V53 HydrophobicContact CD1-CG1 3.81Å; I32-V53 HydrophobicContact CD1-CG2 4.13Å; I32-V53 HydrophobicContact CG1-CG1 3.89Å; I32-V53 HydrophobicContact CG2-CG1 3.73Å
33H95.6Very high96Very high21 Ų2158.6 Ų58.610%0.09734%0.338CS..  trans-95.9120172.5-163-93.2000109.8T11 W14 S35 D36 S37 D38T11-H33 PolarHBondContact O-CE1 2.8Å; T11-H33 VanDerWaalsContact O-CE1 3.23Å; W14-H33 AromaticContact CD1-CD2 3.64Å; W14-H33 HydrophobicContact CD2-CB 3.85Å; W14-H33 AromaticContact CD2-CD2 3.7Å; W14-H33 AromaticContact CE2-CD2 3.53Å; W14-H33 AromaticContact CE2-CG 4Å; W14-H33 HydrophobicContact CE3-CB 3.64Å; W14-H33 AromaticContact CG-CD2 3.8Å; W14-H33 HydrophobicContact CH2-CB 3.62Å; W14-H33 HydrophobicContact CZ2-CB 3.8Å; W14-H33 HydrophobicContact CZ3-CB 3.54Å; W14-H33 AromaticContact NE1-CD2 3.46Å; W14-H33 PolarHBondContact NE1-CD2 3Å; H33-S35 VanDerWaalsContact C-N 3.27Å; H33-S35 PolarHBondContact CE1-OG 2.89Å; H33-S35 PolarHBondContact ND1-N 2.93Å; H33-S35 PolarHBondContact ND1-OG 3.1Å; H33-S35 PolarHBondContact O-N 2.9Å; H33-D36 WeakPolarHBondContact CB-OD1 3.43Å; H33-D36 IonicContact CG-OD1 3.59Å; H33-D36 IonicContact ND1-OD1 2.78Å; H33-S37 WeakPolarHBondContact O-CA 3.38Å; H33-S37 PolarHBondContact O-N 3.28Å; H33-D38 PolarHBondContact N-O 2.89Å
34P95.6Very high96Very high3 Ų361 Ų612%0.01932%0.322CS..THydrogen-bonded Turntrans-70.4-15.9-172-20.633.3000115.4F10 T11 Y13 V53 T55F10-P34 HydrophobicContact CD1-CB 3.73Å; F10-P34 HydrophobicContact CD1-CG 4.06Å; F10-P34 HydrophobicContact CD2-CG 4.05Å; F10-P34 HydrophobicContact CE1-CB 3.48Å; F10-P34 VanDerWaalsContact CE1-CB 3.48Å; F10-P34 HydrophobicContact CE1-CG 3.71Å; F10-P34 HydrophobicContact CE2-CB 4.38Å; F10-P34 HydrophobicContact CE2-CG 3.69Å; F10-P34 HydrophobicContact CG-CB 4.32Å; F10-P34 HydrophobicContact CG-CG 4.24Å; F10-P34 HydrophobicContact CZ-CB 3.83Å; F10-P34 HydrophobicContact CZ-CG 3.52Å; F10-P34 WeakPolarHBondContact O-CG 3.45Å; T11-P34 HydrophobicContact CG2-CB 4.42Å; Y13-P34 WeakPolarHBondContact O-CD 3.49Å; P34-V53 HydrophobicContact CB-CB 4.4Å; P34-V53 HydrophobicContact CB-CG1 4.11Å; P34-V53 HydrophobicContact CG-CG1 4.16Å; P34-T55 HydrophobicContact CB-CG2 4.38Å; P34-T55 WeakPolarHBondContact O-CG2 3.34Å
35S95.4Very high96Very high72 Ų7257 Ų5750%0.50330%0.303SS..THydrogen-bonded Turntrans-75.6-34.9-179.170.60000114.1H33H33-S35 VanDerWaalsContact C-N 3.27Å; H33-S35 PolarHBondContact CE1-OG 2.89Å; H33-S35 PolarHBondContact ND1-N 2.93Å; H33-S35 PolarHBondContact ND1-OG 3.1Å; H33-S35 PolarHBondContact O-N 2.9Å
36D95.9Very high95.9Very high100 Ų10061 Ų6154%0.53531%0.305SS..THydrogen-bonded Turntrans-130.2-0.2-17254.814.9000112.4H33 D38H33-D36 WeakPolarHBondContact CB-OD1 3.43Å; H33-D36 IonicContact CG-OD1 3.59Å; H33-D36 IonicContact ND1-OD1 2.78Å; D36-D38 PolarHBondContact O-N 2.56Å; D36-D38 WeakPolarHBondContact OD1-CB 3.2Å; D36-D38 PolarHBondContact OD1-N 2.78Å
37S96.3Very high95.7Very high68 Ų6859.9 Ų59.948%0.47632%0.316SS..  trans58.723.1-175.8-53.30000113.7H33 T39H33-S37 WeakPolarHBondContact O-CA 3.38Å; H33-S37 PolarHBondContact O-N 3.28Å; S37-T39 PolarHBondContact O-N 2.82Å
38D96.8Very high95.7Very high84 Ų8460.5 Ų60.545%0.44932%0.318SS..  trans-63.1135.2174.3-17525.8000109.8W14 I32 H33 D36W14-D38 HydrophobicContact CH2-CB 3.97Å; W14-D38 WeakPolarHBondContact CH2-OD2 2.75Å; W14-D38 WeakPolarHBondContact CZ3-O 3.49Å; I32-D38 CarbonylContact C-O 3.59Å; I32-D38 VanDerWaalsContact CA-O 3.26Å; I32-D38 WeakPolarHBondContact CA-O 3.47Å; H33-D38 PolarHBondContact N-O 2.89Å; D36-D38 PolarHBondContact O-N 2.56Å; D36-D38 WeakPolarHBondContact OD1-CB 3.2Å; D36-D38 PolarHBondContact OD1-N 2.78Å
39T97.4Very high95.7Very high51 Ų5157.5 Ų57.531%0.31331%0.308SS..EExtended strand (participates in β ladder)trans-126.2141.2-175.5550000111.8R31 I32 S37 Y41 L51R31-T39 WeakPolarHBondContact O-CA 3.36Å; I32-T39 HydrophobicContact CB-CG2 3.98Å; I32-T39 HydrophobicContact CD1-CG2 3.64Å; I32-T39 HydrophobicContact CG1-CG2 3.74Å; S37-T39 PolarHBondContact O-N 2.82Å; T39-Y41 HydrophobicContact CG2-CE2 4.47Å; T39-L51 HydrophobicContact CG2-CB 4.24Å
40N96.4Very high95.7Very high78 Ų7860.7 Ų60.742%0.41733%0.327SS..EExtended strand (participates in β ladder)trans-134.8139.3170.4-171.1-118.2000110.1W28 G30 R31W28-N40 HydrophobicContact CH2-CB 4.39Å; W28-N40 WeakPolarHBondContact CH2-OD1 3.24Å; G30-N40 CarbonylContact C-O 3.54Å; G30-N40 WeakPolarHBondContact CA-O 2.98Å; R31-N40 HydrophobicContact CG-CB 4.06Å; R31-N40 PolarHBondContact N-O 3.46Å; R31-N40 PolarHBondContact O-N 3.12Å
41Y97.5Very high95.8Very high51 Ų5161.1 Ų61.120%0.233%0.33CS..EExtended strand (participates in β ladder)trans-125.2147.8-173.7-65.2-91.1000110.7T39 A49 L51T39-Y41 HydrophobicContact CG2-CE2 4.47Å; Y41-A49 HydrophobicContact CE1-CB 4.29Å; Y41-A49 WeakPolarHBondContact CE1-O 3.43Å; Y41-L51 HydrophobicContact CE1-CD1 4.01Å; Y41-L51 HydrophobicContact CE1-CG 3.67Å; Y41-L51 PolarHBondContact OH-N 3.11Å
42N96.3Very high95.9Very high46 Ų4661.2 Ų61.225%0.24634%0.338CS..  trans-69.7137.1158.2-179.3-24.8000108.9W28 I29 K44 F45 K46W28-N42 HydrophobicContact CE3-CB 3.82Å; W28-N42 HydrophobicContact CZ3-CB 3.98Å; W28-N42 WeakPolarHBondContact O-CB 3.5Å; W28-N42 PolarHBondContact O-ND2 3.12Å; I29-N42 WeakPolarHBondContact O-CB 3.25Å; I29-N42 PolarHBondContact O-N 2.82Å; N42-K44 PolarHBondContact O-N 3.13Å; N42-K44 VanDerWaalsContact O-N 3.13Å; N42-K44 PolarHBondContact OD1-N 3.21Å; N42-K44 VanDerWaalsContact OD1-N 3.12Å; N42-F45 HydrophobicContact CB-CD2 4.04Å; N42-F45 PolarHBondContact O-N 3.13Å; N42-K46 PolarHBondContact O-N 2.93Å; N42-K46 VanDerWaalsContact O-N 3.13Å
43Q95Very high95.9Very high145 Ų14562.5 Ų62.568%0.67835%0.346SS*.G310 helixtrans-54.3-34.9-177.6-65.3-62.7-14.800113F45 K46Q43-F45 PolarHBondContact O-N 3.12Å; Q43-K46 PolarHBondContact O-N 2.98Å
44K92.5Very high96Very high146 Ų14664.1 Ų64.164%0.63536%0.355SS*.G310 helixtrans-60.7-27.3177.3-66-172.1-173.8-1800113.9E27 N42E27-K44 IonicContact OE2-NZ 2.56Å; E27-K44 PolarHBondContact OE2-NZ 3.48Å; N42-K44 PolarHBondContact O-N 3.13Å; N42-K44 VanDerWaalsContact O-N 3.13Å; N42-K44 PolarHBondContact OD1-N 3.21Å; N42-K44 VanDerWaalsContact OD1-N 3.12Å
45F94.3Very high96Very high10 Ų1067.5 Ų67.54%0.04438%0.376CS..G310 helixtrans-109.6-3.8-175.1-62.2-84.9000112.8K19 I29 N42 Q43 G47 K48 A49K19-F45 HydrophobicContact CD-CE1 4.05Å; K19-F45 HydrophobicContact CD-CZ 4.01Å; I29-F45 HydrophobicContact CB-CD2 4.28Å; I29-F45 HydrophobicContact CB-CG 4.22Å; I29-F45 HydrophobicContact CG1-CD1 4.13Å; I29-F45 HydrophobicContact CG1-CD2 4.23Å; I29-F45 HydrophobicContact CG1-CE1 4.02Å; I29-F45 HydrophobicContact CG1-CE2 4.11Å; I29-F45 HydrophobicContact CG1-CG 4.23Å; I29-F45 HydrophobicContact CG1-CZ 4.01Å; I29-F45 HydrophobicContact CG2-CB 3.74Å; I29-F45 HydrophobicContact CG2-CD1 4.04Å; I29-F45 HydrophobicContact CG2-CD2 4.3Å; I29-F45 HydrophobicContact CG2-CG 3.78Å; N42-F45 HydrophobicContact CB-CD2 4.04Å; N42-F45 PolarHBondContact O-N 3.13Å; Q43-F45 PolarHBondContact O-N 3.12Å; F45-G47 PolarHBondContact O-N 2.95Å; F45-K48 PolarHBondContact O-N 2.64Å; F45-A49 HydrophobicContact CB-CB 4.4Å; F45-A49 PolarHBondContact O-N 2.8Å
46K92.8Very high96Very high140 Ų14069.1 Ų69.161%0.60939%0.387SS*.BIsolated β-bridgetrans-62.6122.7175.7-167.2175.1-177.7-1790109N42 Q43 K48N42-K46 PolarHBondContact O-N 2.93Å; N42-K46 VanDerWaalsContact O-N 3.13Å; Q43-K46 PolarHBondContact O-N 2.98Å; K46-K48 VanDerWaalsContact C-N 3.28Å; K46-K48 PolarHBondContact O-N 2.82Å
47G91.9Very high96Very high72 Ų7266.1 Ų66.174%0.74237%0.374SS*.THydrogen-bonded Turntrans85.7-11.9-175.300000115.2F45F45-G47 PolarHBondContact O-N 2.95Å
48K94.8Very high96Very high46 Ų4664.8 Ų64.820%0.237%0.365CS..THydrogen-bonded Turntrans-100.3-35.1174.7-163.9175.3-167.2167.90112.7F45 K46 L64 S65 D71F45-K48 PolarHBondContact O-N 2.64Å; K46-K48 VanDerWaalsContact C-N 3.28Å; K46-K48 PolarHBondContact O-N 2.82Å; K48-L64 CarbonylContact O-C 3.51Å; K48-L64 WeakPolarHBondContact O-CA 3.39Å; K48-S65 VanDerWaalsContact CG-O 3.29Å; K48-S65 WeakPolarHBondContact CG-O 3.39Å; K48-S65 PolarHBondContact O-N 3.46Å; K48-S65 PolarHBondContact O-OG 3.27Å; K48-D71 WeakPolarHBondContact CE-OD1 2.94Å; K48-D71 WeakPolarHBondContact CE-OD2 3.44Å; K48-D71 IonicContact NZ-OD1 2.64Å; K48-D71 PolarHBondContact NZ-OD1 3.09Å; K48-D71 IonicContact NZ-OD2 2.98Å; K48-D71 PolarHBondContact NZ-OD2 2.85Å
49A97.1Very high96Very high3 Ų361.1 Ų61.13%0.02535%0.346CS..EExtended strand (participates in β ladder)trans-107.8136.7176.300000110.4I29 Y41 F45 M62 Q63 L64I29-A49 HydrophobicContact CG2-CB 3.78Å; Y41-A49 HydrophobicContact CE1-CB 4.29Å; Y41-A49 WeakPolarHBondContact CE1-O 3.43Å; F45-A49 HydrophobicContact CB-CB 4.4Å; F45-A49 PolarHBondContact O-N 2.8Å; A49-M62 HydrophobicContact CB-CG 4.29Å; A49-M62 HydrophobicContact CB-SD 4.06Å; A49-Q63 CarbonylContact C-O 3.51Å; A49-Q63 WeakPolarHBondContact CA-O 3.13Å; A49-L64 HydrophobicContact CB-CD2 3.86Å
50T98Very high96Very high67 Ų6758.7 Ų58.741%0.41133%0.331SS..EExtended strand (participates in β ladder)trans-119.1121.8169-61.20000108.5T52 M62 Q63T50-T52 HydrophobicContact CG2-CG2 4.32Å; T50-M62 CarbonylContact O-C 3.56Å; T50-M62 WeakPolarHBondContact O-CA 3.41Å; T50-Q63 PolarHBondContact N-O 2.84Å; T50-Q63 PolarHBondContact O-N 2.94Å
51L98.3Very high96.1Very high9 Ų958.7 Ų58.75%0.04733%0.325CS..EExtended strand (participates in β ladder)trans-100.9134178.5-53.1-175.4000110.4W17 I32 T39 Y41 Y61 M62W17-L51 VanDerWaalsContact CD1-CD2 3.43Å; W17-L51 HydrophobicContact CG-CD2 4.08Å; I32-L51 HydrophobicContact CB-CB 4.12Å; I32-L51 HydrophobicContact CB-CD1 4.36Å; I32-L51 HydrophobicContact CD1-CB 4.19Å; I32-L51 HydrophobicContact CG2-CB 4.32Å; T39-L51 HydrophobicContact CG2-CB 4.24Å; Y41-L51 HydrophobicContact CE1-CD1 4.01Å; Y41-L51 HydrophobicContact CE1-CG 3.67Å; Y41-L51 PolarHBondContact OH-N 3.11Å; L51-Y61 WeakPolarHBondContact CA-O 3Å; L51-M62 HydrophobicContact CD2-CB 3.65Å; L51-M62 HydrophobicContact CD2-CG 3.59Å; L51-M62 HydrophobicContact CD2-SD 3.94Å
52T98.2Very high96.1Very high71 Ų7156.3 Ų56.344%0.43632%0.316SS..EExtended strand (participates in β ladder)trans-138.7165.6174.463.20000110.6T50 Y61T50-T52 HydrophobicContact CG2-CG2 4.32Å; T52-Y61 PolarHBondContact N-O 2.03Å; T52-Y61 PolarHBondContact O-N 3.46Å; T52-Y61 WeakPolarHBondContact OG1-CB 3.4Å
53V97.8Very high96.2Very high30 Ų3060.7 Ų60.718%0.18234%0.335CS..EExtended strand (participates in β ladder)trans-136.5150177.9-72.30000110.4F10 I32 P34 S59 A60F10-V53 HydrophobicContact CE1-CB 4.48Å; F10-V53 HydrophobicContact CE1-CG1 4.48Å; F10-V53 HydrophobicContact CZ-CG1 4.18Å; I32-V53 HydrophobicContact CB-CG1 4.45Å; I32-V53 HydrophobicContact CD1-CB 4.46Å; I32-V53 HydrophobicContact CD1-CG1 3.81Å; I32-V53 HydrophobicContact CD1-CG2 4.13Å; I32-V53 HydrophobicContact CG1-CG1 3.89Å; I32-V53 HydrophobicContact CG2-CG1 3.73Å; P34-V53 HydrophobicContact CB-CB 4.4Å; P34-V53 HydrophobicContact CB-CG1 4.11Å; P34-V53 HydrophobicContact CG-CG1 4.16Å; V53-S59 CarbonylContact C-O 3.59Å; V53-S59 WeakPolarHBondContact CA-O 3.25Å; V53-A60 HydrophobicContact CG1-CB 4.13Å
54D97.2Very high96.2Very high54 Ų5455.3 Ų55.329%0.28931%0.311SS..EExtended strand (participates in β ladder)trans-125105.6165.5172.713.8000107.9S56 S57 S58 S59 Y61D54-S56 VanDerWaalsContact C-N 3.29Å; D54-S56 PolarHBondContact O-N 2.89Å; D54-S56 WeakPolarHBondContact OD1-CB 3.04Å; D54-S56 PolarHBondContact OD1-N 3.12Å; D54-S56 PolarHBondContact OD1-OG 2.77Å; D54-S56 PolarHBondContact OD2-OG 2.84Å; D54-S57 VanDerWaalsContact OD2-CB 3.23Å; D54-S57 WeakPolarHBondContact OD2-CB 3.34Å; D54-S57 PolarHBondContact OD2-OG 2.92Å; D54-S58 PolarHBondContact O-N 3.25Å; D54-S58 VanDerWaalsContact O-N 3.1Å; D54-S59 PolarHBondContact N-O 3.26Å; D54-S59 PolarHBondContact O-N 2.98Å; D54-Y61 HydrophobicContact CB-CE2 3.87Å
55T95.7Very high96.3Very high74 Ų7450.6 Ų50.645%0.45430%0.296SS..THydrogen-bonded Turntrans-70.8-26.7-178.552.40000112.2T11 P34 S57 S58T11-T55 HydrophobicContact CG2-CG2 3.87Å; P34-T55 HydrophobicContact CB-CG2 4.38Å; P34-T55 WeakPolarHBondContact O-CG2 3.34Å; T55-S57 PolarHBondContact O-N 3.26Å; T55-S58 PolarHBondContact O-N 3.23Å
56S95Very high96.2Very high107 Ų10755.3 Ų55.375%0.74833%0.33SS*.THydrogen-bonded Turntrans-67.4-37.418075.20000112D54D54-S56 VanDerWaalsContact C-N 3.29Å; D54-S56 PolarHBondContact O-N 2.89Å; D54-S56 WeakPolarHBondContact OD1-CB 3.04Å; D54-S56 PolarHBondContact OD1-N 3.12Å; D54-S56 PolarHBondContact OD1-OG 2.77Å; D54-S56 PolarHBondContact OD2-OG 2.84Å
57S96.1Very high96.3Very high37 Ų3751.7 Ų51.726%0.25932%0.318SS..THydrogen-bonded Turntrans-96.6-0.2176.369.60000113.8K4 D54 T55 S59K4-S57 WeakPolarHBondContact CE-O 3.43Å; D54-S57 VanDerWaalsContact OD2-CB 3.23Å; D54-S57 WeakPolarHBondContact OD2-CB 3.34Å; D54-S57 PolarHBondContact OD2-OG 2.92Å; T55-S57 PolarHBondContact O-N 3.26Å; S57-S59 VanDerWaalsContact C-N 3.26Å; S57-S59 PolarHBondContact O-N 2.81Å; S57-S59 PolarHBondContact O-OG 3.34Å; S57-S59 WeakPolarHBondContact OG-CB 3.29Å; S57-S59 PolarHBondContact OG-OG 3Å
58S96.4Very high96.4Very high39 Ų3951.5 Ų51.527%0.27330%0.302SS..THydrogen-bonded Turntrans53.242.5-172.4-62.90000112.9A5 F10 D54 T55A5-S58 WeakPolarHBondContact CB-O 3.25Å; A5-S58 PolarHBondContact N-O 2.98Å; F10-S58 VanDerWaalsContact CD1-CA 3.49Å; D54-S58 PolarHBondContact O-N 3.25Å; D54-S58 VanDerWaalsContact O-N 3.1Å; T55-S58 PolarHBondContact O-N 3.23Å
59S97.4Very high96.3Very high8 Ų852.7 Ų52.76%0.05632%0.316CS..EExtended strand (participates in β ladder)trans-118.2137.9-175.4-57.10000111.8C3 V53 D54 S57 Y61C3-S59 CarbonylContact O-C 3.49Å; C3-S59 WeakPolarHBondContact O-CA 3.34Å; V53-S59 CarbonylContact C-O 3.59Å; V53-S59 WeakPolarHBondContact CA-O 3.25Å; D54-S59 PolarHBondContact N-O 3.26Å; D54-S59 PolarHBondContact O-N 2.98Å; S57-S59 VanDerWaalsContact C-N 3.26Å; S57-S59 PolarHBondContact O-N 2.81Å; S57-S59 PolarHBondContact O-OG 3.34Å; S57-S59 WeakPolarHBondContact OG-CB 3.29Å; S57-S59 PolarHBondContact OG-OG 3Å; S59-Y61 VanDerWaalsContact CB-OH 3.3Å; S59-Y61 WeakPolarHBondContact CB-OH 3.21Å
60A97.6Very high96.1Very high0 Ų058.9 Ų58.90%035%0.345CS..EExtended strand (participates in β ladder)trans-106.7151.5166.500000109.9S2 C3 F10 M15 W17 V53S2-A60 CarbonylContact C-O 3.49Å; S2-A60 WeakPolarHBondContact CA-O 3.33Å; C3-A60 PolarHBondContact N-O 3.24Å; C3-A60 PolarHBondContact O-N 3Å; F10-A60 HydrophobicContact CE2-CB 4.44Å; F10-A60 HydrophobicContact CZ-CB 4.05Å; M15-A60 HydrophobicContact CB-CB 4.12Å; M15-A60 HydrophobicContact CG-CB 3.62Å; W17-A60 HydrophobicContact CZ2-CB 4.41Å; V53-A60 HydrophobicContact CG1-CB 4.13Å
61Y98.1Very high95.9Very high77 Ų7756 Ų5630%0.30233%0.326SS..EExtended strand (participates in β ladder)trans-132.4147-179.1-53-94.3000110.6M1 S2 L51 T52 D54 S59M1-Y61 VanDerWaalsContact O-CA 3.27Å; M1-Y61 WeakPolarHBondContact O-CA 3.25Å; S2-Y61 VanDerWaalsContact CB-CE1 3.48Å; L51-Y61 WeakPolarHBondContact CA-O 3Å; T52-Y61 PolarHBondContact N-O 2.03Å; T52-Y61 PolarHBondContact O-N 3.46Å; T52-Y61 WeakPolarHBondContact OG1-CB 3.4Å; D54-Y61 HydrophobicContact CB-CE2 3.87Å; S59-Y61 VanDerWaalsContact CB-OH 3.3Å; S59-Y61 WeakPolarHBondContact CB-OH 3.21Å
62M98Very high95.8Very high1 Ų157.1 Ų57.11%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-125.8126.3165.3178.1171.771.800108.8M1 W17 I29 A49 T50 L51 L64 Y75M1-M62 HydrophobicContact CE-CE 3.46Å; M1-M62 VanDerWaalsContact CE-CE 3.46Å; M1-M62 HydrophobicContact CG-CB 3.8Å; M1-M62 HydrophobicContact CG-CE 4.13Å; M1-M62 VanDerWaalsContact CG-O 3.3Å; M1-M62 WeakPolarHBondContact CG-O 3.3Å; M1-M62 PolarHBondContact N-O 2.74Å; M1-M62 PolarHBondContact O-N 2.78Å; M1-M62 HydrophobicContact SD-CB 4.34Å; M1-M62 HydrophobicContact SD-CE 3.2Å; M1-M62 WeakPolarHBondContact SD-CE 3.3Å; W17-M62 HydrophobicContact CB-CE 4.33Å; W17-M62 HydrophobicContact CB-SD 3.85Å; W17-M62 HydrophobicContact CD2-CB 3.68Å; W17-M62 HydrophobicContact CD2-CE 4.25Å; W17-M62 HydrophobicContact CD2-SD 4.19Å; W17-M62 HydrophobicContact CE3-CB 4.04Å; W17-M62 HydrophobicContact CE3-CE 3.91Å; W17-M62 HydrophobicContact CE3-SD 4.45Å; W17-M62 HydrophobicContact CG-CB 4.13Å; W17-M62 HydrophobicContact CG-CE 4.46Å; W17-M62 HydrophobicContact CG-SD 3.95Å; W17-M62 HydrophobicContact CH2-CB 4.23Å; W17-M62 HydrophobicContact CZ2-CB 3.9Å; W17-M62 HydrophobicContact CZ3-CB 4.31Å; I29-M62 HydrophobicContact CD1-CE 3.64Å; I29-M62 HydrophobicContact CD1-SD 3.79Å; I29-M62 HydrophobicContact CG2-SD 3.78Å; A49-M62 HydrophobicContact CB-CG 4.29Å; A49-M62 HydrophobicContact CB-SD 4.06Å; T50-M62 CarbonylContact O-C 3.56Å; T50-M62 WeakPolarHBondContact O-CA 3.41Å; L51-M62 HydrophobicContact CD2-CB 3.65Å; L51-M62 HydrophobicContact CD2-CG 3.59Å; L51-M62 HydrophobicContact CD2-SD 3.94Å; M62-L64 HydrophobicContact CE-CD1 4.12Å; M62-L64 HydrophobicContact CE-CD2 4.11Å; M62-L64 HydrophobicContact CE-CG 4.14Å; M62-L64 HydrophobicContact CG-CD2 4.31Å; M62-L64 HydrophobicContact CG-CG 4.42Å; M62-L64 HydrophobicContact SD-CD2 4.03Å; M62-Y75 HydrophobicContact CE-CD1 3.71Å; M62-Y75 HydrophobicContact CE-CE1 4.29Å
63Q97.7Very high95.8Very high138 Ų13854 Ų5465%0.64532%0.317SS*.EExtended strand (participates in β ladder)trans-103.2131.9168.1-175.2174.9100108.4A49 T50A49-Q63 CarbonylContact C-O 3.51Å; A49-Q63 WeakPolarHBondContact CA-O 3.13Å; T50-Q63 PolarHBondContact N-O 2.84Å; T50-Q63 PolarHBondContact O-N 2.94Å
64L96Very high95.8Very high32 Ų3254.3 Ų54.317%0.16832%0.319CS..EExtended strand (participates in β ladder)trans-107.7136.1172.6-64.1169.5000108.8M1 K48 A49 M62 L67 Y75M1-L64 HydrophobicContact CE-CD1 3.72Å; M1-L64 HydrophobicContact CE-CG 4.39Å; K48-L64 CarbonylContact O-C 3.51Å; K48-L64 WeakPolarHBondContact O-CA 3.39Å; A49-L64 HydrophobicContact CB-CD2 3.86Å; M62-L64 HydrophobicContact CE-CD1 4.12Å; M62-L64 HydrophobicContact CE-CD2 4.11Å; M62-L64 HydrophobicContact CE-CG 4.14Å; M62-L64 HydrophobicContact CG-CD2 4.31Å; M62-L64 HydrophobicContact CG-CG 4.42Å; M62-L64 HydrophobicContact SD-CD2 4.03Å; L64-L67 HydrophobicContact CB-CD1 4.32Å; L64-L67 HydrophobicContact CB-CD2 3.71Å; L64-L67 HydrophobicContact CB-CG 4.18Å; L64-L67 HydrophobicContact CD1-CD2 4.07Å; L64-L67 HydrophobicContact CG-CD2 4.43Å; L64-Y75 HydrophobicContact CD1-CD1 4.22Å; L64-Y75 HydrophobicContact CD1-CE1 3.64Å; L64-Y75 HydrophobicContact CD1-CE2 4.45Å
65S94.7Very high95.8Very high47 Ų4751.9 Ų51.933%0.32931%0.306SS..  trans-117.2159.7176.455.80000110.8K48 L67K48-S65 VanDerWaalsContact CG-O 3.29Å; K48-S65 WeakPolarHBondContact CG-O 3.39Å; K48-S65 PolarHBondContact O-N 3.46Å; K48-S65 PolarHBondContact O-OG 3.27Å; S65-L67 VanDerWaalsContact C-N 3.31Å; S65-L67 PolarHBondContact O-N 2.9Å
66S91.9Very high95.9Very high109 Ų10950.5 Ų50.576%0.76229%0.292SS*.SBendtrans50.248.8174.2-54.30000113.3
67L93.4Very high96Very high65 Ų6546.1 Ų46.134%0.3426%0.262SS..  trans-70.3140.7-178.3-70177.9000111.4L64 S65 D71 V98L64-L67 HydrophobicContact CB-CD1 4.32Å; L64-L67 HydrophobicContact CB-CD2 3.71Å; L64-L67 HydrophobicContact CB-CG 4.18Å; L64-L67 HydrophobicContact CD1-CD2 4.07Å; L64-L67 HydrophobicContact CG-CD2 4.43Å; S65-L67 VanDerWaalsContact C-N 3.31Å; S65-L67 PolarHBondContact O-N 2.9Å; L67-D71 WeakPolarHBondContact CA-OD2 3.26Å; L67-D71 HydrophobicContact CD2-CB 3.62Å; L67-V98 HydrophobicContact CB-CG1 4.25Å; L67-V98 HydrophobicContact CB-CG2 4.01Å; L67-V98 HydrophobicContact CD1-CG2 4.11Å
68T94.3Very high96Very high67 Ų6744.4 Ų44.441%0.41125%0.25SC..  trans-120171.7172.268.50000110.1E70 D71 V98T68-E70 PolarHBondContact O-N 2.99Å; T68-E70 VanDerWaalsContact O-N 3.12Å; T68-D71 PolarHBondContact N-OD2 2.85Å; T68-D71 WeakPolarHBondContact O-CB 3.27Å; T68-D71 PolarHBondContact O-N 3.43Å; T68-V98 WeakPolarHBondContact O-CB 3.23Å; T68-V98 WeakPolarHBondContact O-CG1 3.16Å
69S94.3Very high95.8Very high72 Ų7244.3 Ų44.350%0.50324%0.243SC..G310 helixtrans-56.1-29.5177.554.90000113.3D71 S72 V98S69-D71 PolarHBondContact O-N 2.92Å; S69-S72 WeakPolarHBondContact O-CB 3.38Å; S69-S72 PolarHBondContact O-N 2.88Å; S69-S72 VanDerWaalsContact O-N 3.13Å; S69-S72 PolarHBondContact O-OG 3.03Å; S69-V98 WeakPolarHBondContact CA-O 3.37Å
70E91.1Very high95.2Very high133 Ų13345.9 Ų45.962%0.62125%0.249SC*.G310 helixtrans-67.7-10.5174.9-59.6-173.1175.200114.1K19 R21 T68 S72K19-E70 PolarHBondContact NZ-O 2.85Å; R21-E70 VanDerWaalsContact CZ-O 3.25Å; R21-E70 PolarHBondContact NE-O 3.01Å; R21-E70 PolarHBondContact NH2-O 2.85Å; T68-E70 PolarHBondContact O-N 2.99Å; T68-E70 VanDerWaalsContact O-N 3.12Å; E70-S72 VanDerWaalsContact C-N 3.34Å
71D94.2Very high94.2Very high5 Ų548.1 Ų48.13%0.02726%0.261CS..G310 helixtrans-87.4-5.5173.7-60.3-54.1000114.2K19 K48 L67 T68 S69 A73 Y75 V98K19-D71 IonicContact NZ-OD1 3.31Å; K19-D71 PolarHBondContact NZ-OD1 3.19Å; K48-D71 WeakPolarHBondContact CE-OD1 2.94Å; K48-D71 WeakPolarHBondContact CE-OD2 3.44Å; K48-D71 IonicContact NZ-OD1 2.64Å; K48-D71 PolarHBondContact NZ-OD1 3.09Å; K48-D71 IonicContact NZ-OD2 2.98Å; K48-D71 PolarHBondContact NZ-OD2 2.85Å; L67-D71 WeakPolarHBondContact CA-OD2 3.26Å; L67-D71 HydrophobicContact CD2-CB 3.62Å; T68-D71 PolarHBondContact N-OD2 2.85Å; T68-D71 WeakPolarHBondContact O-CB 3.27Å; T68-D71 PolarHBondContact O-N 3.43Å; S69-D71 PolarHBondContact O-N 2.92Å; D71-A73 PolarHBondContact O-N 3.29Å; D71-A73 VanDerWaalsContact O-N 3.12Å; D71-Y75 WeakPolarHBondContact O-CE2 3.4Å; D71-Y75 PolarHBondContact O-OH 3.28Å; D71-V98 HydrophobicContact CB-CG2 4.5Å
72S96.6Very high92.9Very high34 Ų3448.7 Ų48.724%0.23827%0.272CS..  trans-61.2115.3173.7-59.50000110.3S69 E70 V96 V98S69-S72 WeakPolarHBondContact O-CB 3.38Å; S69-S72 PolarHBondContact O-N 2.88Å; S69-S72 VanDerWaalsContact O-N 3.13Å; S69-S72 PolarHBondContact O-OG 3.03Å; E70-S72 VanDerWaalsContact C-N 3.34Å; S72-V96 CarbonylContact C-O 3.4Å; S72-V96 VanDerWaalsContact CA-O 3.25Å; S72-V96 WeakPolarHBondContact CA-O 3.49Å; S72-V98 PolarHBondContact OG-N 3.34Å; S72-V98 PolarHBondContact OG-O 2.61Å
73A97.3Very high91.7Very high5 Ų552.1 Ų52.14%0.04131%0.308CS..EExtended strand (participates in β ladder)trans-169.5169.3-170.700000110.9K19 Q20 R21 D71 Y75 V96K19-A73 HydrophobicContact CD-CB 4.13Å; K19-A73 HydrophobicContact CG-CB 3.48Å; K19-A73 VanDerWaalsContact CG-CB 3.48Å; Q20-A73 WeakPolarHBondContact O-CA 3.1Å; Q20-A73 VanDerWaalsContact O-CB 3.25Å; Q20-A73 WeakPolarHBondContact O-CB 3.36Å; R21-A73 HydrophobicContact CG-CB 4.18Å; D71-A73 PolarHBondContact O-N 3.29Å; D71-A73 VanDerWaalsContact O-N 3.12Å; A73-Y75 HydrophobicContact CB-CD2 4.34Å; A73-Y75 HydrophobicContact CB-CE2 3.76Å; A73-V96 PolarHBondContact N-O 2.98Å; A73-V96 PolarHBondContact O-N 2.61Å
74V98.1Very high90.6Very high36 Ų3651.3 Ų51.322%0.21830%0.3CS..EExtended strand (participates in β ladder)trans-90.3131.6162.2-169.50000108.6Q20 Y76Q20-V74 PolarHBondContact N-O 2.84Å; Q20-V74 PolarHBondContact O-N 3.13Å; V74-Y76 HydrophobicContact CB-CE2 3.77Å; V74-Y76 HydrophobicContact CG1-CD2 4.33Å; V74-Y76 HydrophobicContact CG1-CE1 3.88Å; V74-Y76 HydrophobicContact CG1-CE2 3.61Å; V74-Y76 WeakPolarHBondContact CG1-OH 3.43Å
75Y98.1Very high89.5Confident4 Ų461.2 Ų61.22%0.01634%0.336CS..EExtended strand (participates in β ladder)trans-110.6128.4179.4-69.1-95.5000110.1M1 V18 K19 I29 M62 L64 D71 A73 G93 T94 V96M1-Y75 HydrophobicContact CE-CD1 3.98Å; M1-Y75 HydrophobicContact CE-CD2 4.21Å; M1-Y75 HydrophobicContact CE-CG 3.72Å; M1-Y75 HydrophobicContact SD-CD1 4.46Å; M1-Y75 HydrophobicContact SD-CG 4.21Å; V18-Y75 CarbonylContact O-C 3.59Å; V18-Y75 WeakPolarHBondContact O-CA 3.41Å; K19-Y75 HydrophobicContact CB-CD1 4.19Å; K19-Y75 HydrophobicContact CB-CE1 3.97Å; K19-Y75 HydrophobicContact CD-CE1 4.01Å; K19-Y75 WeakPolarHBondContact CE-OH 3.41Å; K19-Y75 HydrophobicContact CG-CD1 4.34Å; K19-Y75 HydrophobicContact CG-CE1 3.81Å; I29-Y75 HydrophobicContact CD1-CD1 3.72Å; I29-Y75 HydrophobicContact CD1-CE1 3.85Å; M62-Y75 HydrophobicContact CE-CD1 3.71Å; M62-Y75 HydrophobicContact CE-CE1 4.29Å; L64-Y75 HydrophobicContact CD1-CD1 4.22Å; L64-Y75 HydrophobicContact CD1-CE1 3.64Å; L64-Y75 HydrophobicContact CD1-CE2 4.45Å; D71-Y75 WeakPolarHBondContact O-CE2 3.4Å; D71-Y75 PolarHBondContact O-OH 3.28Å; A73-Y75 HydrophobicContact CB-CD2 4.34Å; A73-Y75 HydrophobicContact CB-CE2 3.76Å; Y75-G93 CarbonylContact O-C 3.59Å; Y75-G93 VanDerWaalsContact O-CA 3.24Å; Y75-G93 WeakPolarHBondContact O-CA 3.21Å; Y75-T94 PolarHBondContact N-O 3.06Å; Y75-T94 PolarHBondContact O-N 3.49Å; Y75-V96 HydrophobicContact CD2-CB 3.92Å; Y75-V96 HydrophobicContact CD2-CG2 3.69Å; Y75-V96 HydrophobicContact CE2-CB 3.76Å; Y75-V96 HydrophobicContact CE2-CG2 3.98Å
76Y97.9Very high88.7Confident44 Ų4465.9 Ų65.917%0.17335%0.347CS..EExtended strand (participates in β ladder)trans-115.7144.5-177.8-57-89.4000110.2W17 V18 Q20 V74 W90 G91W17-Y76 WeakPolarHBondContact CA-O 3.35Å; V18-Y76 PolarHBondContact N-O 3.12Å; V18-Y76 PolarHBondContact O-N 3.17Å; Q20-Y76 HydrophobicContact CB-CD2 4.48Å; Q20-Y76 HydrophobicContact CB-CE2 3.8Å; Q20-Y76 PolarHBondContact OE1-OH 2.93Å; V74-Y76 HydrophobicContact CB-CE2 3.77Å; V74-Y76 HydrophobicContact CG1-CD2 4.33Å; V74-Y76 HydrophobicContact CG1-CE1 3.88Å; V74-Y76 HydrophobicContact CG1-CE2 3.61Å; V74-Y76 WeakPolarHBondContact CG1-OH 3.43Å; Y76-W90 HydrophobicContact CG-CE3 4.23Å; Y76-W90 HydrophobicContact CG-CZ3 4.36Å; Y76-G91 WeakPolarHBondContact CD1-O 3.48Å
77C96.8Very high88.3Confident16 Ų1663.6 Ų63.611%0.10832%0.323CS..EExtended strand (participates in β ladder)trans-97.7147.8156.361.70000109.6C3 M15 H16 W17 G91C3-C77 HydrophobicContact CB-CB 3.44Å; C3-C77 VanDerWaalsContact CB-CB 3.44Å; C3-C77 WeakPolarHBondContact CB-SG 3.49Å; C3-C77 WeakPolarHBondContact SG-CB 3.12Å; C3-C77 CovalentContact SG-SG 2.03Å; C3-C77 PolarHBondContact SG-SG 3.24Å; M15-C77 HydrophobicContact SD-CB 3.99Å; H16-C77 CarbonylContact O-C 3.52Å; H16-C77 WeakPolarHBondContact O-CA 3.43Å; W17-C77 HydrophobicContact CD2-CB 4.4Å; W17-C77 HydrophobicContact CE3-CB 4.1Å; W17-C77 HydrophobicContact CH2-CB 4.18Å; W17-C77 HydrophobicContact CZ2-CB 4.46Å; W17-C77 HydrophobicContact CZ3-CB 3.98Å; C77-G91 PolarHBondContact O-N 3.1Å
78A95.5Very high87.8Confident1 Ų162.9 Ų62.91%0.00832%0.32CS..EExtended strand (participates in β ladder)trans-142.2142.8177.700000111H16 F87 V89 W90H16-A78 HydrophobicContact CB-CB 4.46Å; H16-A78 WeakPolarHBondContact CB-O 3.34Å; H16-A78 PolarHBondContact N-O 2.79Å; H16-A78 PolarHBondContact O-N 2.8Å; A78-F87 HydrophobicContact CB-CB 4.13Å; A78-F87 HydrophobicContact CB-CD1 4.15Å; A78-F87 HydrophobicContact CB-CD2 4.46Å; A78-F87 HydrophobicContact CB-CG 3.99Å; A78-V89 CarbonylContact C-O 3.59Å; A78-V89 VanDerWaalsContact CA-O 3.25Å; A78-V89 WeakPolarHBondContact CA-O 3.44Å; A78-W90 HydrophobicContact CB-CD2 3.73Å; A78-W90 HydrophobicContact CB-CE3 3.76Å; A78-W90 HydrophobicContact CB-CG 4.25Å; A78-W90 HydrophobicContact CB-CH2 4.38Å; A78-W90 HydrophobicContact CB-CZ2 4.4Å; A78-W90 HydrophobicContact CB-CZ3 4.07Å
79R92.5Very high87.6Confident37 Ų3762.9 Ų62.914%0.1432%0.319CS..EExtended strand (participates in β ladder)trans-86.3144.3171.5-174.1-177.773.7-173.84.3109.7Y8 Y13 F87 D88 V89Y8-R79 HydrophobicContact CE2-CG 4.45Å; Y8-R79 VanDerWaalsContact CG-NH1 3.32Å; Y13-R79 HydrophobicContact CG-CG 4.14Å; R79-F87 WeakPolarHBondContact O-CA 3.34Å; R79-D88 WeakPolarHBondContact CB-OD1 3.45Å; R79-D88 IonicContact CZ-OD1 2.95Å; R79-D88 IonicContact CZ-OD2 2.98Å; R79-D88 VanDerWaalsContact NE-CG 3.29Å; R79-D88 IonicContact NE-OD1 3.64Å; R79-D88 PolarHBondContact NE-OD1 2.89Å; R79-D88 IonicContact NE-OD2 3.76Å; R79-D88 PolarHBondContact NE-OD2 3.01Å; R79-D88 VanDerWaalsContact NH2-CG 3.32Å; R79-D88 IonicContact NH2-OD1 3.87Å; R79-D88 IonicContact NH2-OD2 3.77Å; R79-D88 PolarHBondContact NH2-OD2 3.25Å; R79-D88 PolarHBondContact O-N 2.76Å; R79-V89 HydrophobicContact CB-CB 4.16Å; R79-V89 PolarHBondContact N-O 3.3Å
80K85.3Confident87.6Confident41 Ų4164.2 Ų64.218%0.17831%0.313CS..EExtended strand (participates in β ladder)trans-125127.8165.5-172.8178.9175.7178.30110.7W14 H16 Y84 F87W14-K80 HydrophobicContact CB-CB 4.46Å; W14-K80 PolarHBondContact O-N 3.23Å; W14-K80 VanDerWaalsContact O-N 3.11Å; H16-K80 VanDerWaalsContact NE2-CB 3.33Å; H16-K80 WeakPolarHBondContact NE2-CB 3.3Å; K80-Y84 WeakPolarHBondContact CE-O 3.4Å; K80-Y84 PolarHBondContact NZ-O 3.02Å; K80-F87 HydrophobicContact CB-CD1 3.88Å; K80-F87 HydrophobicContact CB-CE1 4.04Å; K80-F87 HydrophobicContact CD-CE1 4.3Å; K80-F87 HydrophobicContact CG-CD1 4.39Å; K80-F87 HydrophobicContact CG-CE1 4.49Å
81L77.3Confident87.7Confident47 Ų4759.2 Ų59.225%0.24630%0.298CS..  trans-72.9130.6172.8-145.1107.5000111Y13 G83 Y84Y13-L81 HydrophobicContact CD1-CD1 4.02Å; Y13-L81 HydrophobicContact CD1-CG 4.06Å; Y13-L81 HydrophobicContact CE1-CB 4.43Å; Y13-L81 HydrophobicContact CE1-CD1 3.26Å; Y13-L81 HydrophobicContact CE1-CG 3.53Å; L81-G83 PolarHBondContact O-N 3.46Å; L81-Y84 HydrophobicContact CB-CD2 3.83Å; L81-Y84 HydrophobicContact CB-CG 4.39Å; L81-Y84 HydrophobicContact CD2-CD2 3.33Å; L81-Y84 HydrophobicContact CD2-CE2 3.28Å; L81-Y84 HydrophobicContact CD2-CG 4.49Å; L81-Y84 HydrophobicContact CG-CD2 4.16Å; L81-Y84 PolarHBondContact O-N 3.23Å; L81-Y84 VanDerWaalsContact O-N 3.12Å
82T70.7Confident87.8Confident88 Ų8865.8 Ų65.854%0.5434%0.338SS..THydrogen-bonded Turntrans-60123.9175.1-56.50000109.5
83G73.1Confident87.7Confident74 Ų7465.2 Ų65.276%0.76334%0.337SS*.THydrogen-bonded Turntrans96.8-7.4-176.800000115.9L81L81-G83 PolarHBondContact O-N 3.46Å
84Y73.2Confident87.7Confident120 Ų12068.7 Ų68.747%0.47136%0.358SS..  trans-108160176.1-71.2-95.3000112.2K80 L81 Y86K80-Y84 WeakPolarHBondContact CE-O 3.4Å; K80-Y84 PolarHBondContact NZ-O 3.02Å; L81-Y84 HydrophobicContact CB-CD2 3.83Å; L81-Y84 HydrophobicContact CB-CG 4.39Å; L81-Y84 HydrophobicContact CD2-CD2 3.33Å; L81-Y84 HydrophobicContact CD2-CE2 3.28Å; L81-Y84 HydrophobicContact CD2-CG 4.49Å; L81-Y84 HydrophobicContact CG-CD2 4.16Å; L81-Y84 PolarHBondContact O-N 3.23Å; L81-Y84 VanDerWaalsContact O-N 3.12Å; Y84-Y86 AromaticContact CD1-CE1 3.69Å; Y84-Y86 HydrophobicContact CD1-CE1 3.69Å; Y84-Y86 HydrophobicContact CG-CE1 4.39Å
85W74.1Confident87.7Confident241 Ų24171.8 Ų71.891%0.91338%0.377SS*.SBendtrans-98.2-8.1-177.4-62.3104000114.5
86Y76Confident87.6Confident144 Ų14473.2 Ų73.257%0.56539%0.386SS*.SBendtrans-116.7161.9-176.162.5-92.3000112.9Y84 D88Y84-Y86 AromaticContact CD1-CE1 3.69Å; Y84-Y86 HydrophobicContact CD1-CE1 3.69Å; Y84-Y86 HydrophobicContact CG-CE1 4.39Å; Y86-D88 HydrophobicContact CD2-CB 4.33Å; Y86-D88 HydrophobicContact CE2-CB 3.97Å
87F84.6Confident87.6Confident62 Ų6276.6 Ų76.627%0.27241%0.412SS..EExtended strand (participates in β ladder)trans-86.1125.4170.4-61.4-51000109.7H16 A78 R79 K80 W90H16-F87 HydrophobicContact CB-CD1 4.49Å; H16-F87 HydrophobicContact CB-CE1 3.78Å; H16-F87 HydrophobicContact CB-CZ 4.06Å; H16-F87 AromaticContact CD2-CE1 3.61Å; H16-F87 AromaticContact CE1-CE1 3.73Å; H16-F87 AromaticContact CG-CE1 3.34Å; H16-F87 AromaticContact CG-CZ 3.86Å; H16-F87 AromaticContact ND1-CE1 3.42Å; H16-F87 WeakPolarHBondContact ND1-CE1 3.49Å; H16-F87 AromaticContact ND1-CZ 3.65Å; H16-F87 AromaticContact NE2-CE1 3.85Å; A78-F87 HydrophobicContact CB-CB 4.13Å; A78-F87 HydrophobicContact CB-CD1 4.15Å; A78-F87 HydrophobicContact CB-CD2 4.46Å; A78-F87 HydrophobicContact CB-CG 3.99Å; R79-F87 WeakPolarHBondContact O-CA 3.34Å; K80-F87 HydrophobicContact CB-CD1 3.88Å; K80-F87 HydrophobicContact CB-CE1 4.04Å; K80-F87 HydrophobicContact CD-CE1 4.3Å; K80-F87 HydrophobicContact CG-CD1 4.39Å; K80-F87 HydrophobicContact CG-CE1 4.49Å; F87-W90 HydrophobicContact CB-CZ2 3.9Å; F87-W90 AromaticContact CD2-CH2 3.84Å; F87-W90 HydrophobicContact CD2-CH2 3.84Å; F87-W90 AromaticContact CD2-CZ2 3.36Å; F87-W90 HydrophobicContact CD2-CZ2 3.36Å; F87-W90 HydrophobicContact CE2-CH2 4.3Å; F87-W90 HydrophobicContact CE2-CZ2 4.23Å; F87-W90 AromaticContact CG-CZ2 3.98Å; F87-W90 HydrophobicContact CG-CZ2 3.98Å
88D82.8Confident87.5Confident50 Ų5077.2 Ų77.227%0.26742%0.415SS..EExtended strand (participates in β ladder)trans-98.9-26.2-171.459.5-15.3000113.4R79 Y86R79-D88 WeakPolarHBondContact CB-OD1 3.45Å; R79-D88 IonicContact CZ-OD1 2.95Å; R79-D88 IonicContact CZ-OD2 2.98Å; R79-D88 VanDerWaalsContact NE-CG 3.29Å; R79-D88 IonicContact NE-OD1 3.64Å; R79-D88 PolarHBondContact NE-OD1 2.89Å; R79-D88 IonicContact NE-OD2 3.76Å; R79-D88 PolarHBondContact NE-OD2 3.01Å; R79-D88 VanDerWaalsContact NH2-CG 3.32Å; R79-D88 IonicContact NH2-OD1 3.87Å; R79-D88 IonicContact NH2-OD2 3.77Å; R79-D88 PolarHBondContact NH2-OD2 3.25Å; R79-D88 PolarHBondContact O-N 2.76Å; Y86-D88 HydrophobicContact CD2-CB 4.33Å; Y86-D88 HydrophobicContact CE2-CB 3.97Å
89V89.2Confident87.3Confident66 Ų6682.2 Ų82.240%0.445%0.45SS..EExtended strand (participates in β ladder)trans-135.3133.6175.6-179.50000110.1A78 R79A78-V89 CarbonylContact C-O 3.59Å; A78-V89 VanDerWaalsContact CA-O 3.25Å; A78-V89 WeakPolarHBondContact CA-O 3.44Å; R79-V89 HydrophobicContact CB-CB 4.16Å; R79-V89 PolarHBondContact N-O 3.3Å
90W94.4Very high86.7Confident100 Ų10089 Ų8938%0.37950%0.503SS..EExtended strand (participates in β ladder)trans-119.4142176.9-69.378.7000110.8V18 L26 Y76 A78 F87V18-W90 HydrophobicContact CB-CH2 4.27Å; V18-W90 HydrophobicContact CB-CZ3 3.9Å; V18-W90 HydrophobicContact CG1-CH2 4.21Å; V18-W90 HydrophobicContact CG1-CZ3 4.14Å; V18-W90 HydrophobicContact CG2-CH2 3.9Å; V18-W90 HydrophobicContact CG2-CZ3 3.85Å; L26-W90 HydrophobicContact CD1-CH2 3.87Å; L26-W90 HydrophobicContact CD1-CZ2 4.36Å; Y76-W90 HydrophobicContact CG-CE3 4.23Å; Y76-W90 HydrophobicContact CG-CZ3 4.36Å; A78-W90 HydrophobicContact CB-CD2 3.73Å; A78-W90 HydrophobicContact CB-CE3 3.76Å; A78-W90 HydrophobicContact CB-CG 4.25Å; A78-W90 HydrophobicContact CB-CH2 4.38Å; A78-W90 HydrophobicContact CB-CZ2 4.4Å; A78-W90 HydrophobicContact CB-CZ3 4.07Å; F87-W90 HydrophobicContact CB-CZ2 3.9Å; F87-W90 AromaticContact CD2-CH2 3.84Å; F87-W90 HydrophobicContact CD2-CH2 3.84Å; F87-W90 AromaticContact CD2-CZ2 3.36Å; F87-W90 HydrophobicContact CD2-CZ2 3.36Å; F87-W90 HydrophobicContact CE2-CH2 4.3Å; F87-W90 HydrophobicContact CE2-CZ2 4.23Å; F87-W90 AromaticContact CG-CZ2 3.98Å; F87-W90 HydrophobicContact CG-CZ2 3.98Å
91G94.7Very high86.8Confident28 Ų2891.4 Ų91.429%0.28952%0.519SS..  trans-68.8161.4163.800000111.2Y76 C77 G93Y76-G91 WeakPolarHBondContact CD1-O 3.48Å; C77-G91 PolarHBondContact O-N 3.1Å; G91-G93 PolarHBondContact O-N 3.41Å; G91-G93 VanDerWaalsContact O-N 3.12Å
92T95Very high87.3Confident144 Ų14493.7 Ų93.788%0.88353%0.533SS*.  trans-64.2-16.8179.354.10000113.8
93G96.1Very high88.2Confident21 Ų2194 Ų9422%0.21653%0.533CS..  trans87.9151.4-17600000112.6Y75 G91Y75-G93 CarbonylContact O-C 3.59Å; Y75-G93 VanDerWaalsContact O-CA 3.24Å; Y75-G93 WeakPolarHBondContact O-CA 3.21Å; G91-G93 PolarHBondContact O-N 3.41Å; G91-G93 VanDerWaalsContact O-N 3.12Å
94T97.1Very high89.1Confident78 Ų7895.2 Ų95.248%0.47952%0.52SS..EExtended strand (participates in β ladder)trans-124.8121.1175.8-600000109.1Y75 V96Y75-T94 PolarHBondContact N-O 3.06Å; Y75-T94 PolarHBondContact O-N 3.49Å; T94-V96 PolarHBondContact O-N 3.48Å
95T97.4Very high90.1Very high101 Ų10193.6 Ų93.662%0.6252%0.523SS*.EExtended strand (participates in β ladder)trans-72.2127173.3-54.30000109.8
96V96.6Very high91.2Very high34 Ų3483.8 Ų83.821%0.20650%0.497CS..EExtended strand (participates in β ladder)trans-115.6127.9168.3178.30000107.2M1 S72 A73 Y75 T94 V98M1-V96 HydrophobicContact CE-CG2 4.31Å; S72-V96 CarbonylContact C-O 3.4Å; S72-V96 VanDerWaalsContact CA-O 3.25Å; S72-V96 WeakPolarHBondContact CA-O 3.49Å; A73-V96 PolarHBondContact N-O 2.98Å; A73-V96 PolarHBondContact O-N 2.61Å; Y75-V96 HydrophobicContact CD2-CB 3.92Å; Y75-V96 HydrophobicContact CD2-CG2 3.69Å; Y75-V96 HydrophobicContact CE2-CB 3.76Å; Y75-V96 HydrophobicContact CE2-CG2 3.98Å; T94-V96 PolarHBondContact O-N 3.48Å; V96-V98 HydrophobicContact CG1-CG2 4.15Å
97T96.3Very high92.3Very high115 Ų11579.5 Ų79.571%0.70649%0.492SS*.  trans-117.5129.8175.4-55.60000108.4
98V94.9Very high92.9Very high29 Ų2980.8 Ų80.818%0.17651%0.509CS..  trans-122.8116.2178.3-173.20000107.1L67 T68 S69 D71 S72 V96L67-V98 HydrophobicContact CB-CG1 4.25Å; L67-V98 HydrophobicContact CB-CG2 4.01Å; L67-V98 HydrophobicContact CD1-CG2 4.11Å; T68-V98 WeakPolarHBondContact O-CB 3.23Å; T68-V98 WeakPolarHBondContact O-CG1 3.16Å; S69-V98 WeakPolarHBondContact CA-O 3.37Å; D71-V98 HydrophobicContact CB-CG2 4.5Å; S72-V98 PolarHBondContact OG-N 3.34Å; S72-V98 PolarHBondContact OG-O 2.61Å; V96-V98 HydrophobicContact CG1-CG2 4.15Å
99S91.4Very high93.7Very high107 Ų10783.4 Ų83.475%0.74853%0.529SS*.  trans-100.6150.5173.455.30000110.3
100S81.4Confident94.1Very high178 Ų17885 Ų85100%1.24554%0.541SS*.  trans-69.80169.9560000112.4

Retrieved 100 of 100 residues in 62.6 ms (Link to these results)

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