X5J4Q9_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4Q9, 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
1V95.7Very high93.6Very high55 Ų5564.2 Ų64.233%0.33341%0.409SS..  0134.50-1670000108.2W17 Y61 M62 L64 T94V1-W17 HydrophobicContact CB-CH2 4Å; V1-W17 HydrophobicContact CB-CZ3 3.71Å; V1-W17 HydrophobicContact CG1-CE3 4.45Å; V1-W17 HydrophobicContact CG1-CH2 3.88Å; V1-W17 HydrophobicContact CG1-CZ3 3.41Å; V1-W17 VanDerWaalsContact CG1-CZ3 3.41Å; V1-Y61 WeakPolarHBondContact O-CA 3.47Å; V1-M62 HydrophobicContact CB-CE 4.35Å; V1-M62 HydrophobicContact CG2-CE 4.02Å; V1-M62 PolarHBondContact N-O 2.87Å; V1-M62 PolarHBondContact O-N 2.82Å; V1-L64 HydrophobicContact CG2-CD1 4.46Å; V1-T94 HydrophobicContact CG1-CG2 3.92Å; V1-T94 HydrophobicContact CG2-CG2 4.29Å
2S97.4Very high93.5Very high81 Ų8163.2 Ų63.257%0.56641%0.405SS*.EExtended strand (participates in β ladder)trans-115.9149.2176.455.90000110.2A60S2-A60 CarbonylContact C-O 3.57Å; S2-A60 WeakPolarHBondContact CA-O 3.28Å
3C97.2Very high93.5Very high17 Ų1761 Ų6112%0.11538%0.384CS..EExtended strand (participates in β ladder)trans-140.4112177.4-177.60000109.2W17 T59 A60 C77C3-W17 HydrophobicContact CB-CH2 3.75Å; C3-W17 HydrophobicContact CB-CZ2 4.16Å; C3-W17 HydrophobicContact CB-CZ3 4.47Å; C3-T59 CarbonylContact O-C 3.58Å; C3-T59 WeakPolarHBondContact O-CA 3.06Å; C3-T59 WeakPolarHBondContact O-CG2 3.44Å; C3-A60 PolarHBondContact N-O 3.23Å; C3-A60 PolarHBondContact O-N 3.27Å; C3-C77 HydrophobicContact CB-CB 3.4Å; C3-C77 WeakPolarHBondContact CB-SG 3.43Å; C3-C77 WeakPolarHBondContact SG-CB 3.5Å; C3-C77 CovalentContact SG-SG 2.03Å; C3-C77 PolarHBondContact SG-SG 2.96Å
4K96.9Very high93.5Very high151 Ų15160.4 Ų60.466%0.65737%0.371SS*.EExtended strand (participates in β ladder)trans-94.6121.4179.4-175.6173.8-178.2177.30109.6S57 T59K4-S57 WeakPolarHBondContact CE-O 3.4Å; K4-T59 HydrophobicContact CB-CG2 4.41Å
5A94Very high93.7Very high10 Ų1056.5 Ų56.58%0.08335%0.347CS..  trans-70.2144174.900000110.9Y8 F10 S58A5-Y8 HydrophobicContact CB-CD2 4.49Å; A5-Y8 HydrophobicContact CB-CE1 4.26Å; A5-Y8 HydrophobicContact CB-CE2 3.66Å; A5-Y8 WeakPolarHBondContact CB-OH 3.31Å; A5-F10 HydrophobicContact CB-CB 4.11Å; A5-F10 HydrophobicContact CB-CD2 3.44Å; A5-F10 VanDerWaalsContact CB-CD2 3.44Å; A5-F10 HydrophobicContact CB-CE2 4.19Å; A5-F10 HydrophobicContact CB-CG 4.09Å; A5-S58 PolarHBondContact N-O 3.03Å
6S91.3Very high93.9Very high100 Ų10053.3 Ų53.370%0.69933%0.327SS*.  trans-147.9144.9172.661.50000110.4Y8S6-Y8 VanDerWaalsContact O-CD1 3.23Å; S6-Y8 WeakPolarHBondContact O-CD1 3.42Å; S6-Y8 WeakPolarHBondContact O-CE1 3.25Å
7G88.8Confident94.1Very high89 Ų8950.2 Ų50.292%0.91831%0.308SS*.SBendtrans831.8178.900000116.1
8Y86.9Confident94.3Very high48 Ų4847.6 Ų47.619%0.18829%0.292CS..SBendtrans-150.1164.6176.357.3-91.2000112.4A5 S6 F10 Y13 A79 Y89A5-Y8 HydrophobicContact CB-CD2 4.49Å; A5-Y8 HydrophobicContact CB-CE1 4.26Å; A5-Y8 HydrophobicContact CB-CE2 3.66Å; A5-Y8 WeakPolarHBondContact CB-OH 3.31Å; S6-Y8 VanDerWaalsContact O-CD1 3.23Å; S6-Y8 WeakPolarHBondContact O-CD1 3.42Å; S6-Y8 WeakPolarHBondContact O-CE1 3.25Å; Y8-F10 PolarHBondContact O-N 2.99Å; Y8-F10 VanDerWaalsContact O-N 3.14Å; Y8-Y13 HydrophobicContact CD2-CD1 4.29Å; Y8-Y13 AromaticContact CD2-CD2 3.44Å; Y8-Y13 HydrophobicContact CD2-CD2 3.44Å; Y8-Y13 VanDerWaalsContact CD2-CD2 3.44Å; Y8-Y13 AromaticContact CD2-CE2 3.78Å; Y8-Y13 HydrophobicContact CD2-CE2 3.78Å; Y8-Y13 AromaticContact CD2-CG 3.74Å; Y8-Y13 HydrophobicContact CD2-CG 3.74Å; Y8-Y13 HydrophobicContact CE2-CD1 4.38Å; Y8-Y13 HydrophobicContact CE2-CD2 4.07Å; Y8-Y13 AromaticContact CE2-CG 3.9Å; Y8-Y13 HydrophobicContact CE2-CG 3.9Å; Y8-Y13 HydrophobicContact CG-CD2 4.19Å; Y8-Y13 HydrophobicContact CG-CE2 4.06Å; Y8-A79 HydrophobicContact CE2-CB 4.43Å; Y8-Y89 HydrophobicContact CE1-CG 4.34Å
9T92.5Very high94.4Very high89 Ų8945.1 Ų45.155%0.54628%0.277SS..  trans-71.6102.7174.9-55.70000109.8T11 S12 Y13T9-T11 PolarHBondContact O-N 2.85Å; T9-T11 VanDerWaalsContact O-N 3.13Å; T9-S12 WeakPolarHBondContact CG2-OG 3.32Å; T9-S12 WeakPolarHBondContact O-CB 3.27Å; T9-S12 PolarHBondContact O-N 2.86Å; T9-Y13 WeakPolarHBondContact O-CD2 3.39Å
10F94Very high94.6Very high7 Ų746.1 Ų46.13%0.03128%0.278CS..G310 helixtrans-51.6-38.9-174.1178.6-124.6000114.3A5 Y8 S12 Y13 M15 P34 V53 S58 A60A5-F10 HydrophobicContact CB-CB 4.11Å; A5-F10 HydrophobicContact CB-CD2 3.44Å; A5-F10 VanDerWaalsContact CB-CD2 3.44Å; A5-F10 HydrophobicContact CB-CE2 4.19Å; A5-F10 HydrophobicContact CB-CG 4.09Å; Y8-F10 PolarHBondContact O-N 2.99Å; Y8-F10 VanDerWaalsContact O-N 3.14Å; F10-S12 PolarHBondContact O-N 2.95Å; F10-Y13 PolarHBondContact O-N 2.8Å; F10-M15 HydrophobicContact CD2-CE 4.42Å; F10-M15 HydrophobicContact CE2-CE 3.92Å; F10-P34 HydrophobicContact CD1-CB 3.85Å; F10-P34 HydrophobicContact CD1-CG 4.37Å; F10-P34 HydrophobicContact CD2-CG 4.16Å; F10-P34 HydrophobicContact CE1-CB 3.54Å; F10-P34 HydrophobicContact CE1-CG 4.01Å; F10-P34 HydrophobicContact CE2-CB 4.23Å; F10-P34 HydrophobicContact CE2-CG 3.76Å; F10-P34 HydrophobicContact CG-CB 4.35Å; F10-P34 HydrophobicContact CG-CG 4.46Å; F10-P34 HydrophobicContact CZ-CB 3.75Å; F10-P34 HydrophobicContact CZ-CG 3.69Å; F10-V53 HydrophobicContact CE1-CB 4.3Å; F10-V53 HydrophobicContact CE1-CG1 4.37Å; F10-V53 HydrophobicContact CZ-CB 4.33Å; F10-V53 HydrophobicContact CZ-CG1 3.97Å; F10-S58 VanDerWaalsContact CD1-CA 3.49Å; F10-A60 HydrophobicContact CE2-CB 4.32Å; F10-A60 HydrophobicContact CZ-CB 4.06Å
11T94.6Very high94.7Very high59 Ų5946.6 Ų46.636%0.36228%0.275SS..G310 helixtrans-78.52.3-178.957.50000114.7T9 S35 K55T9-T11 PolarHBondContact O-N 2.85Å; T9-T11 VanDerWaalsContact O-N 3.13Å; T11-S35 WeakPolarHBondContact O-CB 3.35Å; T11-K55 HydrophobicContact CG2-CD 4.38Å
12S92.6Very high94.5Very high52 Ų5249.7 Ų49.736%0.36430%0.296SS..G310 helixtrans-103.21.2175.8-57.30000112.9T9 F10 Y81T9-S12 WeakPolarHBondContact CG2-OG 3.32Å; T9-S12 WeakPolarHBondContact O-CB 3.27Å; T9-S12 PolarHBondContact O-N 2.86Å; F10-S12 PolarHBondContact O-N 2.95Å; S12-Y81 WeakPolarHBondContact O-CD2 3.48Å
13Y93Very high94.4Very high35 Ų3550.3 Ų50.314%0.13732%0.316CS..EExtended strand (participates in β ladder)trans-127.9140-173.4-76.2-105.3000110Y8 T9 F10 P34 A79 D80 Y81 Y89Y8-Y13 HydrophobicContact CD2-CD1 4.29Å; Y8-Y13 AromaticContact CD2-CD2 3.44Å; Y8-Y13 HydrophobicContact CD2-CD2 3.44Å; Y8-Y13 VanDerWaalsContact CD2-CD2 3.44Å; Y8-Y13 AromaticContact CD2-CE2 3.78Å; Y8-Y13 HydrophobicContact CD2-CE2 3.78Å; Y8-Y13 AromaticContact CD2-CG 3.74Å; Y8-Y13 HydrophobicContact CD2-CG 3.74Å; Y8-Y13 HydrophobicContact CE2-CD1 4.38Å; Y8-Y13 HydrophobicContact CE2-CD2 4.07Å; Y8-Y13 AromaticContact CE2-CG 3.9Å; Y8-Y13 HydrophobicContact CE2-CG 3.9Å; Y8-Y13 HydrophobicContact CG-CD2 4.19Å; Y8-Y13 HydrophobicContact CG-CE2 4.06Å; T9-Y13 WeakPolarHBondContact O-CD2 3.39Å; F10-Y13 PolarHBondContact O-N 2.8Å; Y13-P34 WeakPolarHBondContact O-CD 3.38Å; Y13-P34 WeakPolarHBondContact O-CG 3.44Å; Y13-A79 HydrophobicContact CD1-CB 4.21Å; Y13-D80 CarbonylContact C-O 3.49Å; Y13-D80 WeakPolarHBondContact CA-O 3.38Å; Y13-D80 WeakPolarHBondContact CB-O 3.43Å; Y13-D80 WeakPolarHBondContact CD1-O 3.48Å; Y13-Y81 HydrophobicContact CD2-CD2 4.18Å; Y13-Y81 HydrophobicContact CE1-CD2 4.2Å; Y13-Y81 HydrophobicContact CE1-CG 4.48Å; Y13-Y81 AromaticContact CE2-CD2 3.69Å; Y13-Y81 HydrophobicContact CE2-CD2 3.69Å; Y13-Y81 HydrophobicContact CE2-CE2 4.39Å; Y13-Y81 AromaticContact CZ-CD2 3.69Å; Y13-Y89 HydrophobicContact CD1-CD2 4.42Å; Y13-Y89 HydrophobicContact CD1-CE2 4.49Å; Y13-Y89 HydrophobicContact CE1-CD2 4Å; Y13-Y89 AromaticContact CE1-CE2 3.66Å; Y13-Y89 HydrophobicContact CE1-CE2 3.66Å
14W94.8Very high94.3Very high53 Ų5354.2 Ų54.220%0.20133%0.332CS..EExtended strand (participates in β ladder)trans-76.5148.2166.6-6363.2000109.2E31 D33 Y38 A79 D80W14-E31 HydrophobicContact CE3-CB 4.17Å; W14-E31 HydrophobicContact CE3-CG 3.59Å; W14-E31 HydrophobicContact CZ3-CG 3.83Å; W14-D33 HydrophobicContact CD2-CB 3.88Å; W14-D33 HydrophobicContact CE3-CB 3.91Å; W14-D33 HydrophobicContact CH2-CB 4.03Å; W14-D33 HydrophobicContact CZ2-CB 3.95Å; W14-D33 HydrophobicContact CZ3-CB 4.01Å; W14-Y38 AromaticContact CH2-CD1 3.43Å; W14-Y38 HydrophobicContact CH2-CD1 3.43Å; W14-Y38 VanDerWaalsContact CH2-CD1 3.43Å; W14-Y38 AromaticContact CH2-CE1 3.88Å; W14-Y38 HydrophobicContact CH2-CE1 3.88Å; W14-Y38 HydrophobicContact CH2-CG 4.48Å; W14-Y38 AromaticContact CZ3-CD1 3.64Å; W14-Y38 HydrophobicContact CZ3-CD1 3.64Å; W14-Y38 HydrophobicContact CZ3-CE1 4.11Å; W14-A79 VanDerWaalsContact O-CA 3.24Å; W14-A79 WeakPolarHBondContact O-CA 3.41Å; W14-D80 VanDerWaalsContact CB-OD1 3.24Å; W14-D80 WeakPolarHBondContact CB-OD1 3.49Å; W14-D80 PolarHBondContact N-O 2.78Å; W14-D80 PolarHBondContact O-N 2.79Å
15M96.2Very high94.1Very high2 Ų249.7 Ų49.71%0.0133%0.328CS..EExtended strand (participates in β ladder)trans-109.7114.7173.5-171.664.757.700109.6F10 E31 I32 A60 C77 A79F10-M15 HydrophobicContact CD2-CE 4.42Å; F10-M15 HydrophobicContact CE2-CE 3.92Å; M15-E31 CarbonylContact O-C 3.42Å; M15-E31 WeakPolarHBondContact O-CA 3.26Å; M15-I32 HydrophobicContact CB-CG2 4.03Å; M15-I32 PolarHBondContact N-O 3.25Å; M15-I32 PolarHBondContact O-N 3.02Å; M15-A60 HydrophobicContact CB-CB 4.03Å; M15-A60 HydrophobicContact CG-CB 3.54Å; M15-C77 HydrophobicContact SD-CB 3.84Å; M15-A79 HydrophobicContact CE-CB 4.09Å; M15-A79 HydrophobicContact SD-CB 4.39Å
16H96.6Very high94.2Very high4 Ų453.8 Ų53.82%0.01935%0.348CS..EExtended strand (participates in β ladder)trans-97.6153.9177-45.1-92.5000111.3W28 G30 E31 C77 A78 D80 M87H16-W28 AromaticContact ND1-NE1 3.57Å; H16-G30 CarbonylContact C-O 3.46Å; H16-G30 WeakPolarHBondContact CA-O 3.24Å; H16-E31 HydrophobicContact CB-CB 4.44Å; H16-E31 IonicContact CE1-OE2 3.49Å; H16-E31 PolarHBondContact CE1-OE2 3.48Å; H16-E31 WeakPolarHBondContact ND1-CB 3.23Å; H16-E31 IonicContact ND1-OE2 3.85Å; H16-E31 PolarHBondContact ND1-OE2 3.28Å; H16-C77 CarbonylContact O-C 3.56Å; H16-C77 VanDerWaalsContact O-CA 3.26Å; H16-C77 WeakPolarHBondContact O-CA 3.48Å; H16-A78 PolarHBondContact N-O 3.01Å; H16-A78 PolarHBondContact O-N 2.79Å; H16-D80 IonicContact CE1-OD1 2.82Å; H16-D80 IonicContact CE1-OD2 3.78Å; H16-D80 IonicContact NE2-OD1 2.91Å; H16-D80 PolarHBondContact NE2-OD1 3.21Å; H16-D80 VanDerWaalsContact NE2-OD1 3.11Å; H16-D80 IonicContact NE2-OD2 3.11Å; H16-D80 PolarHBondContact NE2-OD2 3.03Å; H16-M87 HydrophobicContact CB-CE 4Å; H16-M87 HydrophobicContact CB-SD 4.29Å
17W97.8Very high94.5Very high1 Ų150.8 Ų50.80%0.00432%0.323CS..EExtended strand (participates in β ladder)trans-120.8133.6172.7-66.592.2000110.1V1 C3 I29 G30 L51 A60 M62 Y76 C77V1-W17 HydrophobicContact CB-CH2 4Å; V1-W17 HydrophobicContact CB-CZ3 3.71Å; V1-W17 HydrophobicContact CG1-CE3 4.45Å; V1-W17 HydrophobicContact CG1-CH2 3.88Å; V1-W17 HydrophobicContact CG1-CZ3 3.41Å; V1-W17 VanDerWaalsContact CG1-CZ3 3.41Å; C3-W17 HydrophobicContact CB-CH2 3.75Å; C3-W17 HydrophobicContact CB-CZ2 4.16Å; C3-W17 HydrophobicContact CB-CZ3 4.47Å; W17-I29 HydrophobicContact CB-CB 4.1Å; W17-I29 HydrophobicContact CB-CD1 4.25Å; W17-I29 WeakPolarHBondContact O-CB 3.42Å; W17-I29 PolarHBondContact O-N 2.94Å; W17-G30 PolarHBondContact N-O 3.09Å; W17-L51 VanDerWaalsContact CD1-CD2 3.42Å; W17-L51 HydrophobicContact CG-CD2 4.06Å; W17-A60 HydrophobicContact CZ2-CB 4.3Å; W17-M62 HydrophobicContact CB-CE 4.33Å; W17-M62 HydrophobicContact CB-SD 3.73Å; W17-M62 HydrophobicContact CD2-CB 3.56Å; W17-M62 HydrophobicContact CD2-CE 4.09Å; W17-M62 HydrophobicContact CD2-CG 4.39Å; W17-M62 HydrophobicContact CD2-SD 4.04Å; W17-M62 HydrophobicContact CE3-CB 3.94Å; W17-M62 HydrophobicContact CE3-CE 3.66Å; W17-M62 HydrophobicContact CE3-SD 4.24Å; W17-M62 HydrophobicContact CG-CB 4Å; W17-M62 HydrophobicContact CG-CE 4.4Å; W17-M62 HydrophobicContact CG-CG 4.47Å; W17-M62 HydrophobicContact CG-SD 3.84Å; W17-M62 HydrophobicContact CH2-CB 4.19Å; W17-M62 HydrophobicContact CZ2-CB 3.84Å; W17-M62 HydrophobicContact CZ3-CB 4.25Å; W17-M62 HydrophobicContact CZ3-CE 4.32Å; W17-Y76 WeakPolarHBondContact CA-O 3.34Å; W17-C77 HydrophobicContact CE3-CB 4.16Å; W17-C77 HydrophobicContact CH2-CB 4.24Å; W17-C77 HydrophobicContact CZ3-CB 3.97Å
18V97.4Very high94.8Very high4 Ų449.8 Ų49.82%0.02429%0.291CS..EExtended strand (participates in β ladder)trans-135136.2-174.3-176.10000109.5L26 E27 Y75 Y76 W90V18-L26 HydrophobicContact CG1-CB 3.76Å; V18-L26 HydrophobicContact CG1-CD2 3.91Å; V18-L26 HydrophobicContact CG1-CG 4.28Å; V18-E27 CarbonylContact C-O 3.59Å; V18-E27 WeakPolarHBondContact CA-O 3.36Å; V18-Y75 CarbonylContact O-C 3.45Å; V18-Y75 WeakPolarHBondContact O-CA 3.27Å; V18-Y76 PolarHBondContact N-O 3.2Å; V18-Y76 PolarHBondContact O-N 3.45Å; V18-W90 HydrophobicContact CB-CH2 4.27Å; V18-W90 HydrophobicContact CB-CZ3 4.05Å; V18-W90 HydrophobicContact CG1-CH2 4.25Å; V18-W90 HydrophobicContact CG1-CZ3 4.23Å; V18-W90 HydrophobicContact CG2-CH2 3.87Å; V18-W90 HydrophobicContact CG2-CZ3 4.04Å
19K96.6Very high95.3Very high0 Ų047.5 Ų47.50%028%0.282CS..EExtended strand (participates in β ladder)trans-105.3140.9176-175.9-179.2178.1-1750109.9E27 I29 F45 E70 D71 A73 Y75K19-E27 HydrophobicContact CB-CB 4.42Å; K19-E27 PolarHBondContact N-O 3.12Å; K19-E27 PolarHBondContact O-N 3.23Å; K19-I29 HydrophobicContact CB-CD1 4.04Å; K19-I29 HydrophobicContact CB-CG1 4.2Å; K19-F45 HydrophobicContact CD-CE1 3.98Å; K19-F45 HydrophobicContact CD-CZ 4.16Å; K19-E70 PolarHBondContact NZ-O 2.84Å; K19-D71 IonicContact NZ-OD1 3.93Å; K19-D71 PolarHBondContact NZ-OD1 2.64Å; K19-A73 HydrophobicContact CD-CB 4.11Å; K19-A73 HydrophobicContact CG-CB 3.47Å; K19-A73 VanDerWaalsContact CG-CB 3.47Å; K19-Y75 HydrophobicContact CB-CD1 4.22Å; K19-Y75 HydrophobicContact CB-CE1 4.04Å; K19-Y75 HydrophobicContact CD-CE1 3.97Å; K19-Y75 WeakPolarHBondContact CE-OH 3.48Å; K19-Y75 HydrophobicContact CG-CD1 4.31Å; K19-Y75 HydrophobicContact CG-CE1 3.83Å
20Q97.6Very high95.5Very high65 Ų6543.2 Ų43.230%0.30426%0.256SS..EExtended strand (participates in β ladder)trans-132.2116.6170.4-166.6-17827.200110.5L26 A73 V74 Y76Q20-L26 HydrophobicContact CB-CD2 3.87Å; Q20-L26 HydrophobicContact CG-CD2 3.97Å; Q20-A73 WeakPolarHBondContact O-CA 3.07Å; Q20-A73 VanDerWaalsContact O-CB 3.28Å; Q20-A73 WeakPolarHBondContact O-CB 2.99Å; Q20-V74 PolarHBondContact N-O 2.85Å; Q20-V74 PolarHBondContact O-N 2.79Å; Q20-Y76 HydrophobicContact CB-CD2 4.43Å; Q20-Y76 HydrophobicContact CB-CE2 3.7Å; Q20-Y76 PolarHBondContact OE1-OH 2.84Å
21R96Very high95.6Very high56 Ų5644.4 Ų44.421%0.21126%0.262CS..  trans-84150.9169.8-60.8-166-169.883.73.2110.3G23 Q24 E27 E70 A73R21-G23 PolarHBondContact O-N 3.04Å; R21-Q24 HydrophobicContact CB-CB 4.02Å; R21-Q24 HydrophobicContact CB-CG 4Å; R21-Q24 PolarHBondContact O-N 2.82Å; R21-E27 IonicContact CZ-OE1 2.91Å; R21-E27 IonicContact NH1-OE1 3.69Å; R21-E27 PolarHBondContact NH1-OE1 2.95Å; R21-E27 IonicContact NH2-OE1 2.91Å; R21-E70 PolarHBondContact NE-O 2.92Å; R21-E70 PolarHBondContact NH2-O 2.91Å; R21-A73 HydrophobicContact CG-CB 4.25Å
22P93Very high95.7Very high121 Ų12141.7 Ų41.779%0.78625%0.245SC*.THydrogen-bonded Turntrans-52.4126.6172.9-25.834.8000111.4Q24P22-Q24 PolarHBondContact O-N 3.28Å
23G94.1Very high95.9Very high94 Ų9440.2 Ų40.297%0.96923%0.233SC*.THydrogen-bonded Turntrans72.25.2-179.500000115.7R21R21-G23 PolarHBondContact O-N 3.04Å
24Q94.7Very high96Very high99 Ų9938.5 Ų38.546%0.46323%0.227SC..SBendtrans-112.6161.9176.1-58.7-173.22.100111.6R21 P22R21-Q24 HydrophobicContact CB-CB 4.02Å; R21-Q24 HydrophobicContact CB-CG 4Å; R21-Q24 PolarHBondContact O-N 2.82Å; P22-Q24 PolarHBondContact O-N 3.28Å
25G94.7Very high96Very high55 Ų5538.6 Ų38.657%0.56724%0.235SC*.  trans-68.4174.4173.100000113.1
26L95.7Very high96Very high97 Ų9743.4 Ų43.451%0.50826%0.261SS..EExtended strand (participates in β ladder)trans-71.4132.4172.7-64.2176.4000110.3V18 Q20 Y76 W90V18-L26 HydrophobicContact CG1-CB 3.76Å; V18-L26 HydrophobicContact CG1-CD2 3.91Å; V18-L26 HydrophobicContact CG1-CG 4.28Å; Q20-L26 HydrophobicContact CB-CD2 3.87Å; Q20-L26 HydrophobicContact CG-CD2 3.97Å; L26-Y76 HydrophobicContact CD2-CE2 4.46Å; L26-W90 HydrophobicContact CD1-CH2 3.9Å; L26-W90 HydrophobicContact CD1-CZ3 4.34Å
27E96.1Very high96Very high37 Ų3746 Ų4617%0.17328%0.28CS..EExtended strand (participates in β ladder)trans-113.9114.3173.8-69-171.8-90.300109.8V18 K19 R21 I29 K44 F45V18-E27 CarbonylContact C-O 3.59Å; V18-E27 WeakPolarHBondContact CA-O 3.36Å; K19-E27 HydrophobicContact CB-CB 4.42Å; K19-E27 PolarHBondContact N-O 3.12Å; K19-E27 PolarHBondContact O-N 3.23Å; R21-E27 IonicContact CZ-OE1 2.91Å; R21-E27 IonicContact NH1-OE1 3.69Å; R21-E27 PolarHBondContact NH1-OE1 2.95Å; R21-E27 IonicContact NH2-OE1 2.91Å; E27-I29 PolarHBondContact O-N 3.47Å; E27-K44 IonicContact OE2-NZ 2.64Å; E27-F45 HydrophobicContact CB-CE2 4.45Å; E27-F45 HydrophobicContact CB-CZ 4.33Å
28W96.2Very high95.9Very high67 Ų6752.1 Ų52.125%0.25430%0.304SS..EExtended strand (participates in β ladder)trans-70.9127.3175-177.480.6000110.8H16 G30 E31 N40 N42H16-W28 AromaticContact ND1-NE1 3.57Å; W28-G30 VanDerWaalsContact CZ2-C 3.42Å; W28-G30 VanDerWaalsContact CZ2-CA 3.41Å; W28-E31 HydrophobicContact CH2-CG 4.43Å; W28-E31 HydrophobicContact CZ2-CB 3.9Å; W28-E31 HydrophobicContact CZ2-CG 3.72Å; W28-N40 HydrophobicContact CH2-CB 4.47Å; W28-N42 HydrophobicContact CE3-CB 3.78Å; W28-N42 HydrophobicContact CZ3-CB 3.97Å; W28-N42 VanDerWaalsContact CZ3-N 3.32Å; W28-N42 VanDerWaalsContact O-CB 3.23Å; W28-N42 WeakPolarHBondContact O-CB 3.26Å; W28-N42 PolarHBondContact O-ND2 3.33Å
29I97.1Very high95.9Very high0 Ų054.3 Ų54.30%032%0.317CS..EExtended strand (participates in β ladder)trans-90.8-48.4-177.9-61.5176.1000110.2W17 K19 E27 N42 F45 M62 Y75W17-I29 HydrophobicContact CB-CB 4.1Å; W17-I29 HydrophobicContact CB-CD1 4.25Å; W17-I29 WeakPolarHBondContact O-CB 3.42Å; W17-I29 PolarHBondContact O-N 2.94Å; K19-I29 HydrophobicContact CB-CD1 4.04Å; K19-I29 HydrophobicContact CB-CG1 4.2Å; E27-I29 PolarHBondContact O-N 3.47Å; I29-N42 WeakPolarHBondContact O-CB 3.41Å; I29-N42 PolarHBondContact O-N 3.32Å; I29-F45 HydrophobicContact CB-CB 4.49Å; I29-F45 HydrophobicContact CB-CD2 4.31Å; I29-F45 HydrophobicContact CB-CG 4.22Å; I29-F45 HydrophobicContact CG1-CD1 4.13Å; I29-F45 HydrophobicContact CG1-CD2 4.26Å; I29-F45 HydrophobicContact CG1-CE1 4.14Å; I29-F45 HydrophobicContact CG1-CE2 4.25Å; I29-F45 HydrophobicContact CG1-CG 4.19Å; I29-F45 HydrophobicContact CG1-CZ 4.19Å; I29-F45 HydrophobicContact CG2-CB 3.69Å; I29-F45 HydrophobicContact CG2-CD1 4.2Å; I29-F45 HydrophobicContact CG2-CD2 4.39Å; I29-F45 HydrophobicContact CG2-CG 3.85Å; I29-M62 HydrophobicContact CD1-CE 3.87Å; I29-M62 HydrophobicContact CD1-SD 3.6Å; I29-M62 VanDerWaalsContact CD1-SD 3.6Å; I29-M62 HydrophobicContact CG2-SD 3.93Å; I29-Y75 HydrophobicContact CD1-CD1 3.75Å; I29-Y75 HydrophobicContact CD1-CE1 3.85Å
30G96.6Very high95.9Very high0 Ų057.4 Ų57.40%033%0.334CS..EExtended strand (participates in β ladder)trans167.1177.7-171.400000111.5H16 W17 W28 N40H16-G30 CarbonylContact C-O 3.46Å; H16-G30 WeakPolarHBondContact CA-O 3.24Å; W17-G30 PolarHBondContact N-O 3.09Å; W28-G30 VanDerWaalsContact CZ2-C 3.42Å; W28-G30 VanDerWaalsContact CZ2-CA 3.41Å; G30-N40 CarbonylContact C-O 3.53Å; G30-N40 WeakPolarHBondContact CA-O 3.42Å
31E96.2Very high95.8Very high31 Ų3156.7 Ų56.715%0.14533%0.329CS..EExtended strand (participates in β ladder)trans-143.9157.318066.7-162.1168.200111.4W14 M15 H16 W28 T39 N40 L51W14-E31 HydrophobicContact CE3-CB 4.17Å; W14-E31 HydrophobicContact CE3-CG 3.59Å; W14-E31 HydrophobicContact CZ3-CG 3.83Å; M15-E31 CarbonylContact O-C 3.42Å; M15-E31 WeakPolarHBondContact O-CA 3.26Å; H16-E31 HydrophobicContact CB-CB 4.44Å; H16-E31 IonicContact CE1-OE2 3.49Å; H16-E31 PolarHBondContact CE1-OE2 3.48Å; H16-E31 WeakPolarHBondContact ND1-CB 3.23Å; H16-E31 IonicContact ND1-OE2 3.85Å; H16-E31 PolarHBondContact ND1-OE2 3.28Å; W28-E31 HydrophobicContact CH2-CG 4.43Å; W28-E31 HydrophobicContact CZ2-CB 3.9Å; W28-E31 HydrophobicContact CZ2-CG 3.72Å; E31-T39 WeakPolarHBondContact O-CA 3.41Å; E31-N40 HydrophobicContact CG-CB 3.87Å; E31-N40 PolarHBondContact N-O 2.91Å; E31-N40 PolarHBondContact O-N 2.91Å; E31-N40 PolarHBondContact OE1-ND2 3.26Å; E31-L51 WeakPolarHBondContact O-CD1 3.39Å
32I97.1Very high95.8Very high3 Ų356.2 Ų56.22%0.01533%0.33CS..EExtended strand (participates in β ladder)trans-133.7131.4173.8-175.4158.8000109.2M15 P34 Y38 T39 L51 V53M15-I32 HydrophobicContact CB-CG2 4.03Å; M15-I32 PolarHBondContact N-O 3.25Å; M15-I32 PolarHBondContact O-N 3.02Å; I32-P34 VanDerWaalsContact O-CD 3.3Å; I32-P34 WeakPolarHBondContact O-CD 3.22Å; I32-Y38 CarbonylContact C-O 3.59Å; I32-Y38 VanDerWaalsContact CA-O 3.29Å; I32-Y38 WeakPolarHBondContact CA-O 3.46Å; I32-T39 HydrophobicContact CB-CG2 3.93Å; I32-T39 HydrophobicContact CD1-CG2 3.61Å; I32-T39 HydrophobicContact CG1-CG2 3.73Å; I32-L51 HydrophobicContact CB-CB 4.18Å; I32-L51 HydrophobicContact CD1-CB 4.31Å; I32-L51 HydrophobicContact CG2-CB 4.41Å; I32-V53 HydrophobicContact CD1-CB 4.49Å; I32-V53 HydrophobicContact CD1-CG1 3.82Å; I32-V53 HydrophobicContact CD1-CG2 4.2Å; I32-V53 HydrophobicContact CG1-CG1 3.97Å; I32-V53 HydrophobicContact CG2-CG1 3.78Å
33D96.1Very high95.8Very high20 Ų2058.9 Ų58.911%0.10733%0.332CS..  trans-81114.2166.3-175.3-8.6000108.4W14 S35 S37 Y38W14-D33 HydrophobicContact CD2-CB 3.88Å; W14-D33 HydrophobicContact CE3-CB 3.91Å; W14-D33 HydrophobicContact CH2-CB 4.03Å; W14-D33 HydrophobicContact CZ2-CB 3.95Å; W14-D33 HydrophobicContact CZ3-CB 4.01Å; D33-S35 PolarHBondContact O-N 2.91Å; D33-S35 WeakPolarHBondContact OD1-CA 3.39Å; D33-S35 WeakPolarHBondContact OD1-CB 3.24Å; D33-S35 PolarHBondContact OD1-N 2.67Å; D33-S35 PolarHBondContact OD1-OG 2.82Å; D33-S35 PolarHBondContact OD2-OG 2.9Å; D33-S37 WeakPolarHBondContact O-CA 3.48Å; D33-S37 PolarHBondContact O-N 3.25Å; D33-Y38 PolarHBondContact N-O 2.81Å
34P96.1Very high95.6Very high0 Ų061.5 Ų61.50%032%0.317CS..THydrogen-bonded Turntrans-67.2-13.7176.8-16.332.3000113.7F10 Y13 I32 V53 K55F10-P34 HydrophobicContact CD1-CB 3.85Å; F10-P34 HydrophobicContact CD1-CG 4.37Å; F10-P34 HydrophobicContact CD2-CG 4.16Å; F10-P34 HydrophobicContact CE1-CB 3.54Å; F10-P34 HydrophobicContact CE1-CG 4.01Å; F10-P34 HydrophobicContact CE2-CB 4.23Å; F10-P34 HydrophobicContact CE2-CG 3.76Å; F10-P34 HydrophobicContact CG-CB 4.35Å; F10-P34 HydrophobicContact CG-CG 4.46Å; F10-P34 HydrophobicContact CZ-CB 3.75Å; F10-P34 HydrophobicContact CZ-CG 3.69Å; Y13-P34 WeakPolarHBondContact O-CD 3.38Å; Y13-P34 WeakPolarHBondContact O-CG 3.44Å; I32-P34 VanDerWaalsContact O-CD 3.3Å; I32-P34 WeakPolarHBondContact O-CD 3.22Å; P34-V53 HydrophobicContact CB-CB 4.48Å; P34-V53 HydrophobicContact CB-CG1 4.06Å; P34-V53 HydrophobicContact CG-CG1 4.21Å; P34-K55 WeakPolarHBondContact O-CD 3.42Å; P34-K55 WeakPolarHBondContact O-CE 3.45Å; P34-K55 PolarHBondContact O-NZ 2.65Å
35S95.2Very high95.5Very high55 Ų5557.3 Ų57.339%0.38530%0.297SS..THydrogen-bonded Turntrans-69-45.5-179.888.60000112.1T11 D33 K55T11-S35 WeakPolarHBondContact O-CB 3.35Å; D33-S35 PolarHBondContact O-N 2.91Å; D33-S35 WeakPolarHBondContact OD1-CA 3.39Å; D33-S35 WeakPolarHBondContact OD1-CB 3.24Å; D33-S35 PolarHBondContact OD1-N 2.67Å; D33-S35 PolarHBondContact OD1-OG 2.82Å; D33-S35 PolarHBondContact OD2-OG 2.9Å; S35-K55 PolarHBondContact O-NZ 3.41Å
36D95.8Very high95.1Very high102 Ų10262.3 Ų62.355%0.54530%0.303SS..THydrogen-bonded Turntrans-129.41.9-175.567.72.5000113.7Y38D36-Y38 PolarHBondContact O-N 3.47Å; D36-Y38 WeakPolarHBondContact OD1-CB 3.19Å; D36-Y38 PolarHBondContact OD1-N 2.87Å
37S96.2Very high94.8Very high59 Ų5960.9 Ų60.941%0.41331%0.312SS..  trans63.919.6-176.6-52.70000113.9D33 T39D33-S37 WeakPolarHBondContact O-CA 3.48Å; D33-S37 PolarHBondContact O-N 3.25Å; S37-T39 PolarHBondContact O-N 2.93Å
38Y96.4Very high94.6Very high130 Ų13062.5 Ų62.551%0.5132%0.318SS..  trans-61.7136.8171.7178.5-92.7000110W14 I32 D33 D36 N40W14-Y38 AromaticContact CH2-CD1 3.43Å; W14-Y38 HydrophobicContact CH2-CD1 3.43Å; W14-Y38 VanDerWaalsContact CH2-CD1 3.43Å; W14-Y38 AromaticContact CH2-CE1 3.88Å; W14-Y38 HydrophobicContact CH2-CE1 3.88Å; W14-Y38 HydrophobicContact CH2-CG 4.48Å; W14-Y38 AromaticContact CZ3-CD1 3.64Å; W14-Y38 HydrophobicContact CZ3-CD1 3.64Å; W14-Y38 HydrophobicContact CZ3-CE1 4.11Å; I32-Y38 CarbonylContact C-O 3.59Å; I32-Y38 VanDerWaalsContact CA-O 3.29Å; I32-Y38 WeakPolarHBondContact CA-O 3.46Å; D33-Y38 PolarHBondContact N-O 2.81Å; D36-Y38 PolarHBondContact O-N 3.47Å; D36-Y38 WeakPolarHBondContact OD1-CB 3.19Å; D36-Y38 PolarHBondContact OD1-N 2.87Å; Y38-N40 HydrophobicContact CE1-CB 4.12Å
39T96.9Very high94.5Very high49 Ų4959.5 Ų59.530%0.30131%0.308SS..EExtended strand (participates in β ladder)trans-124.8140.6-178.851.40000111.2E31 I32 S37 Y41 L51E31-T39 WeakPolarHBondContact O-CA 3.41Å; I32-T39 HydrophobicContact CB-CG2 3.93Å; I32-T39 HydrophobicContact CD1-CG2 3.61Å; I32-T39 HydrophobicContact CG1-CG2 3.73Å; S37-T39 PolarHBondContact O-N 2.93Å; T39-Y41 HydrophobicContact CG2-CE2 4.42Å; T39-Y41 WeakPolarHBondContact OG1-CE2 3.35Å; T39-L51 HydrophobicContact CG2-CB 4.08Å
40N95.5Very high94.6Very high66 Ų6662.6 Ų62.635%0.35333%0.326SS..EExtended strand (participates in β ladder)trans-128.8142.2172.2-179.424.2000108.9W28 G30 E31 Y38W28-N40 HydrophobicContact CH2-CB 4.47Å; G30-N40 CarbonylContact C-O 3.53Å; G30-N40 WeakPolarHBondContact CA-O 3.42Å; E31-N40 HydrophobicContact CG-CB 3.87Å; E31-N40 PolarHBondContact N-O 2.91Å; E31-N40 PolarHBondContact O-N 2.91Å; E31-N40 PolarHBondContact OE1-ND2 3.26Å; Y38-N40 HydrophobicContact CE1-CB 4.12Å
41Y96.4Very high94.6Very high50 Ų5063 Ų6320%0.19633%0.329CS..EExtended strand (participates in β ladder)trans-132.6145-171.6-68.5-93000110.8T39 S49 L51T39-Y41 HydrophobicContact CG2-CE2 4.42Å; T39-Y41 WeakPolarHBondContact OG1-CE2 3.35Å; Y41-S49 WeakPolarHBondContact CE1-O 3.08Å; Y41-L51 HydrophobicContact CE1-CD1 4Å; Y41-L51 HydrophobicContact CE1-CD2 4.48Å; Y41-L51 HydrophobicContact CE1-CG 3.67Å; Y41-L51 PolarHBondContact OH-N 2.77Å
42N95.3Very high94.7Very high46 Ų4664.9 Ų64.925%0.24634%0.342CS..  trans-67.7131.6156.8-177.3-26.8000109.1W28 I29 K44 F45 K46W28-N42 HydrophobicContact CE3-CB 3.78Å; W28-N42 HydrophobicContact CZ3-CB 3.97Å; W28-N42 VanDerWaalsContact CZ3-N 3.32Å; W28-N42 VanDerWaalsContact O-CB 3.23Å; W28-N42 WeakPolarHBondContact O-CB 3.26Å; W28-N42 PolarHBondContact O-ND2 3.33Å; I29-N42 WeakPolarHBondContact O-CB 3.41Å; I29-N42 PolarHBondContact O-N 3.32Å; N42-K44 PolarHBondContact O-N 3.1Å; N42-K44 PolarHBondContact OD1-N 3.06Å; N42-K44 VanDerWaalsContact OD1-N 3.1Å; N42-F45 HydrophobicContact CB-CD2 3.99Å; N42-F45 PolarHBondContact O-N 3.21Å; N42-K46 PolarHBondContact O-N 2.94Å
43Q93.4Very high94.8Very high177 Ų17766.1 Ų66.183%0.82735%0.35SS*.THydrogen-bonded Turntrans-53.4-32.7-177.5-68.2-177-5.100113.2F45 K46Q43-F45 PolarHBondContact O-N 2.89Å; Q43-K46 PolarHBondContact O-N 3.28Å
44K90.7Very high94.8Very high148 Ų14867.8 Ų67.864%0.64336%0.359SS*.THydrogen-bonded Turntrans-62.3-27.8177.9-67.2-176.6-179.5179.80114E27 N42E27-K44 IonicContact OE2-NZ 2.64Å; N42-K44 PolarHBondContact O-N 3.1Å; N42-K44 PolarHBondContact OD1-N 3.06Å; N42-K44 VanDerWaalsContact OD1-N 3.1Å
45F91.1Very high94.8Very high11 Ų1172.4 Ų72.45%0.04838%0.379CS..THydrogen-bonded Turntrans-109-4.4-174.8-61.5-84.1000113K19 E27 I29 N42 Q43 G47 K48 S49K19-F45 HydrophobicContact CD-CE1 3.98Å; K19-F45 HydrophobicContact CD-CZ 4.16Å; E27-F45 HydrophobicContact CB-CE2 4.45Å; E27-F45 HydrophobicContact CB-CZ 4.33Å; I29-F45 HydrophobicContact CB-CB 4.49Å; I29-F45 HydrophobicContact CB-CD2 4.31Å; I29-F45 HydrophobicContact CB-CG 4.22Å; I29-F45 HydrophobicContact CG1-CD1 4.13Å; I29-F45 HydrophobicContact CG1-CD2 4.26Å; I29-F45 HydrophobicContact CG1-CE1 4.14Å; I29-F45 HydrophobicContact CG1-CE2 4.25Å; I29-F45 HydrophobicContact CG1-CG 4.19Å; I29-F45 HydrophobicContact CG1-CZ 4.19Å; I29-F45 HydrophobicContact CG2-CB 3.69Å; I29-F45 HydrophobicContact CG2-CD1 4.2Å; I29-F45 HydrophobicContact CG2-CD2 4.39Å; I29-F45 HydrophobicContact CG2-CG 3.85Å; N42-F45 HydrophobicContact CB-CD2 3.99Å; N42-F45 PolarHBondContact O-N 3.21Å; Q43-F45 PolarHBondContact O-N 2.89Å; F45-G47 PolarHBondContact O-N 3.1Å; F45-K48 PolarHBondContact O-N 3.31Å; F45-K48 VanDerWaalsContact O-N 3.09Å; F45-S49 PolarHBondContact O-N 2.03Å; F45-S49 VanDerWaalsContact O-N 3.08Å; F45-S49 PolarHBondContact O-OG 2.84Å
46K87.8Confident94.8Very high160 Ų16075 Ų7570%0.69640%0.397SS*.BIsolated β-bridgetrans-62118.7173.8-165.9171.4-176.51750109N42 Q43N42-K46 PolarHBondContact O-N 2.94Å; Q43-K46 PolarHBondContact O-N 3.28Å
47G88.4Confident94.8Very high67 Ų6771.8 Ų71.869%0.69138%0.382SS*.THydrogen-bonded Turntrans91.9-17.4-177.100000115.6F45 S65F45-G47 PolarHBondContact O-N 3.1Å; G47-S65 PolarHBondContact O-OG 2.91Å
48K92Very high94.9Very high72 Ų7271 Ų7131%0.31338%0.377SS..THydrogen-bonded Turntrans-92.6-21.3168.6-75.8-168167.7-160.50113.1F45 L64 S65 D71F45-K48 PolarHBondContact O-N 3.31Å; F45-K48 VanDerWaalsContact O-N 3.09Å; K48-L64 WeakPolarHBondContact O-CA 3.23Å; K48-S65 PolarHBondContact O-N 2.86Å; K48-S65 PolarHBondContact O-OG 2.85Å; K48-D71 IonicContact NZ-OD1 3.73Å; K48-D71 IonicContact NZ-OD2 3.41Å; K48-D71 PolarHBondContact NZ-OD2 2.89Å
49S95.1Very high95Very high4 Ų465.2 Ų65.23%0.02836%0.355CS..EExtended strand (participates in β ladder)trans-127.7141.4-17861.30000110.9Y41 F45 Q63Y41-S49 WeakPolarHBondContact CE1-O 3.08Å; F45-S49 PolarHBondContact O-N 2.03Å; F45-S49 VanDerWaalsContact O-N 3.08Å; F45-S49 PolarHBondContact O-OG 2.84Å; S49-Q63 CarbonylContact C-O 3.56Å; S49-Q63 VanDerWaalsContact CA-O 3.27Å; S49-Q63 WeakPolarHBondContact CA-O 2.89Å
50T97.4Very high95Very high64 Ų6462.9 Ų62.939%0.39334%0.341SS..EExtended strand (participates in β ladder)trans-125.4121.8171-57.60000108.1T52 M62 Q63T50-T52 HydrophobicContact CG2-CG2 4.27Å; T50-M62 WeakPolarHBondContact O-CA 3.3Å; T50-Q63 PolarHBondContact N-O 2.74Å; T50-Q63 PolarHBondContact O-N 3.35Å
51L98.1Very high95.1Very high9 Ų963.7 Ų63.75%0.04734%0.34CS..EExtended strand (participates in β ladder)trans-98.3133.4178.7-50.8-175.2000110.3W17 E31 I32 T39 Y41 Y61 M62W17-L51 VanDerWaalsContact CD1-CD2 3.42Å; W17-L51 HydrophobicContact CG-CD2 4.06Å; E31-L51 WeakPolarHBondContact O-CD1 3.39Å; I32-L51 HydrophobicContact CB-CB 4.18Å; I32-L51 HydrophobicContact CD1-CB 4.31Å; I32-L51 HydrophobicContact CG2-CB 4.41Å; T39-L51 HydrophobicContact CG2-CB 4.08Å; Y41-L51 HydrophobicContact CE1-CD1 4Å; Y41-L51 HydrophobicContact CE1-CD2 4.48Å; Y41-L51 HydrophobicContact CE1-CG 3.67Å; Y41-L51 PolarHBondContact OH-N 2.77Å; L51-Y61 WeakPolarHBondContact CA-O 3.06Å; L51-M62 HydrophobicContact CD2-CB 3.7Å; L51-M62 HydrophobicContact CD2-CG 3.66Å; L51-M62 HydrophobicContact CD2-SD 4.18Å
52T98.2Very high95.2Very high71 Ų7161.3 Ų61.344%0.43633%0.33SS..EExtended strand (participates in β ladder)trans-141164.4176.164.40000110.9T50 Y61T50-T52 HydrophobicContact CG2-CG2 4.27Å; T52-Y61 PolarHBondContact N-O 3.42Å; T52-Y61 PolarHBondContact O-N 3.21Å
53V97.9Very high95.3Very high28 Ų2865.5 Ų65.517%0.1735%0.349CS..EExtended strand (participates in β ladder)trans-134.9146.5177.1-69.80000110.9F10 I32 P34 A60F10-V53 HydrophobicContact CE1-CB 4.3Å; F10-V53 HydrophobicContact CE1-CG1 4.37Å; F10-V53 HydrophobicContact CZ-CB 4.33Å; F10-V53 HydrophobicContact CZ-CG1 3.97Å; I32-V53 HydrophobicContact CD1-CB 4.49Å; I32-V53 HydrophobicContact CD1-CG1 3.82Å; I32-V53 HydrophobicContact CD1-CG2 4.2Å; I32-V53 HydrophobicContact CG1-CG1 3.97Å; I32-V53 HydrophobicContact CG2-CG1 3.78Å; P34-V53 HydrophobicContact CB-CB 4.48Å; P34-V53 HydrophobicContact CB-CG1 4.06Å; P34-V53 HydrophobicContact CG-CG1 4.21Å; V53-A60 HydrophobicContact CG1-CB 4.1Å
54D97.5Very high95.4Very high55 Ų5558.9 Ų58.929%0.29432%0.318SS..EExtended strand (participates in β ladder)trans-116.9105.8163.7173.511.4000108.5S56 S57 S58 T59 Y61D54-S56 VanDerWaalsContact C-N 3.27Å; D54-S56 PolarHBondContact O-N 3.11Å; D54-S56 WeakPolarHBondContact OD1-CB 2.99Å; D54-S56 PolarHBondContact OD1-N 2.91Å; D54-S56 PolarHBondContact OD1-OG 2.95Å; D54-S56 PolarHBondContact OD2-OG 2.7Å; D54-S57 VanDerWaalsContact OD2-CB 3.29Å; D54-S57 WeakPolarHBondContact OD2-CB 3.39Å; D54-S57 PolarHBondContact OD2-OG 3.35Å; D54-S58 PolarHBondContact O-N 2.93Å; D54-S58 VanDerWaalsContact O-N 3.08Å; D54-T59 PolarHBondContact N-O 2.93Å; D54-T59 PolarHBondContact O-N 2.84Å; D54-Y61 HydrophobicContact CB-CE2 3.9Å
55K95.4Very high95.5Very high98 Ų9854 Ų5443%0.42630%0.303SS..THydrogen-bonded Turntrans-67.3-30.7-178.2-52.7-173.9-163.1-166.90111.7T11 P34 S35 S57 S58T11-K55 HydrophobicContact CG2-CD 4.38Å; P34-K55 WeakPolarHBondContact O-CD 3.42Å; P34-K55 WeakPolarHBondContact O-CE 3.45Å; P34-K55 PolarHBondContact O-NZ 2.65Å; S35-K55 PolarHBondContact O-NZ 3.41Å; K55-S57 PolarHBondContact O-N 2.82Å; K55-S58 PolarHBondContact O-N 3.22Å
56S95.2Very high95.5Very high109 Ų10958.6 Ų58.676%0.76234%0.336SS*.THydrogen-bonded Turntrans-68-37.1-176.873.90000112.1D54D54-S56 VanDerWaalsContact C-N 3.27Å; D54-S56 PolarHBondContact O-N 3.11Å; D54-S56 WeakPolarHBondContact OD1-CB 2.99Å; D54-S56 PolarHBondContact OD1-N 2.91Å; D54-S56 PolarHBondContact OD1-OG 2.95Å; D54-S56 PolarHBondContact OD2-OG 2.7Å
57S96.8Very high95.6Very high34 Ų3453.6 Ų53.624%0.23832%0.317CS..THydrogen-bonded Turntrans-96.3-0.5176.5660000113.7K4 D54 K55 T59K4-S57 WeakPolarHBondContact CE-O 3.4Å; D54-S57 VanDerWaalsContact OD2-CB 3.29Å; D54-S57 WeakPolarHBondContact OD2-CB 3.39Å; D54-S57 PolarHBondContact OD2-OG 3.35Å; K55-S57 PolarHBondContact O-N 2.82Å; S57-T59 PolarHBondContact O-N 2.84Å; S57-T59 PolarHBondContact O-OG1 3.08Å; S57-T59 VanDerWaalsContact O-OG1 3.13Å; S57-T59 WeakPolarHBondContact OG-CB 3.22Å; S57-T59 PolarHBondContact OG-OG1 3.09Å
58S96.9Very high95.8Very high42 Ų4253.3 Ų53.329%0.29430%0.302SS..THydrogen-bonded Turntrans52.242.9-172.8-62.20000112.6A5 F10 D54 K55A5-S58 PolarHBondContact N-O 3.03Å; F10-S58 VanDerWaalsContact CD1-CA 3.49Å; D54-S58 PolarHBondContact O-N 2.93Å; D54-S58 VanDerWaalsContact O-N 3.08Å; K55-S58 PolarHBondContact O-N 3.22Å
59T98.1Very high95.8Very high10 Ų1053.3 Ų53.36%0.06131%0.311CS..EExtended strand (participates in β ladder)trans-121.8130.3-174.7-53.10000110.8C3 K4 D54 S57 Y61C3-T59 CarbonylContact O-C 3.58Å; C3-T59 WeakPolarHBondContact O-CA 3.06Å; C3-T59 WeakPolarHBondContact O-CG2 3.44Å; K4-T59 HydrophobicContact CB-CG2 4.41Å; D54-T59 PolarHBondContact N-O 2.93Å; D54-T59 PolarHBondContact O-N 2.84Å; S57-T59 PolarHBondContact O-N 2.84Å; S57-T59 PolarHBondContact O-OG1 3.08Å; S57-T59 VanDerWaalsContact O-OG1 3.13Å; S57-T59 WeakPolarHBondContact OG-CB 3.22Å; S57-T59 PolarHBondContact OG-OG1 3.09Å; T59-Y61 HydrophobicContact CG2-CD1 4.37Å; T59-Y61 HydrophobicContact CG2-CD2 4.38Å; T59-Y61 HydrophobicContact CG2-CE1 3.71Å; T59-Y61 HydrophobicContact CG2-CE2 3.73Å; T59-Y61 WeakPolarHBondContact CG2-OH 3.34Å
60A98Very high95.6Very high0 Ų059.8 Ų59.80%034%0.341CS..EExtended strand (participates in β ladder)trans-98.1151.8168.200000110.5S2 C3 F10 M15 W17 V53S2-A60 CarbonylContact C-O 3.57Å; S2-A60 WeakPolarHBondContact CA-O 3.28Å; C3-A60 PolarHBondContact N-O 3.23Å; C3-A60 PolarHBondContact O-N 3.27Å; F10-A60 HydrophobicContact CE2-CB 4.32Å; F10-A60 HydrophobicContact CZ-CB 4.06Å; M15-A60 HydrophobicContact CB-CB 4.03Å; M15-A60 HydrophobicContact CG-CB 3.54Å; W17-A60 HydrophobicContact CZ2-CB 4.3Å; V53-A60 HydrophobicContact CG1-CB 4.1Å
61Y98.3Very high95.4Very high82 Ų8257 Ų5732%0.32232%0.324SS..EExtended strand (participates in β ladder)trans-132.6143.9-179.7-55-91.9000110.5V1 L51 T52 D54 T59V1-Y61 WeakPolarHBondContact O-CA 3.47Å; L51-Y61 WeakPolarHBondContact CA-O 3.06Å; T52-Y61 PolarHBondContact N-O 3.42Å; T52-Y61 PolarHBondContact O-N 3.21Å; D54-Y61 HydrophobicContact CB-CE2 3.9Å; T59-Y61 HydrophobicContact CG2-CD1 4.37Å; T59-Y61 HydrophobicContact CG2-CD2 4.38Å; T59-Y61 HydrophobicContact CG2-CE1 3.71Å; T59-Y61 HydrophobicContact CG2-CE2 3.73Å; T59-Y61 WeakPolarHBondContact CG2-OH 3.34Å
62M97.9Very high95.2Very high1 Ų158.1 Ų58.11%0.00533%0.332CS..EExtended strand (participates in β ladder)trans-121.9115164.9174.3176.866.600108.2V1 W17 I29 T50 L51 L64 Y75V1-M62 HydrophobicContact CB-CE 4.35Å; V1-M62 HydrophobicContact CG2-CE 4.02Å; V1-M62 PolarHBondContact N-O 2.87Å; V1-M62 PolarHBondContact O-N 2.82Å; W17-M62 HydrophobicContact CB-CE 4.33Å; W17-M62 HydrophobicContact CB-SD 3.73Å; W17-M62 HydrophobicContact CD2-CB 3.56Å; W17-M62 HydrophobicContact CD2-CE 4.09Å; W17-M62 HydrophobicContact CD2-CG 4.39Å; W17-M62 HydrophobicContact CD2-SD 4.04Å; W17-M62 HydrophobicContact CE3-CB 3.94Å; W17-M62 HydrophobicContact CE3-CE 3.66Å; W17-M62 HydrophobicContact CE3-SD 4.24Å; W17-M62 HydrophobicContact CG-CB 4Å; W17-M62 HydrophobicContact CG-CE 4.4Å; W17-M62 HydrophobicContact CG-CG 4.47Å; W17-M62 HydrophobicContact CG-SD 3.84Å; W17-M62 HydrophobicContact CH2-CB 4.19Å; W17-M62 HydrophobicContact CZ2-CB 3.84Å; W17-M62 HydrophobicContact CZ3-CB 4.25Å; W17-M62 HydrophobicContact CZ3-CE 4.32Å; I29-M62 HydrophobicContact CD1-CE 3.87Å; I29-M62 HydrophobicContact CD1-SD 3.6Å; I29-M62 VanDerWaalsContact CD1-SD 3.6Å; I29-M62 HydrophobicContact CG2-SD 3.93Å; T50-M62 WeakPolarHBondContact O-CA 3.3Å; L51-M62 HydrophobicContact CD2-CB 3.7Å; L51-M62 HydrophobicContact CD2-CG 3.66Å; L51-M62 HydrophobicContact CD2-SD 4.18Å; M62-L64 HydrophobicContact CE-CD1 4.23Å; M62-L64 HydrophobicContact CE-CD2 4.15Å; M62-L64 HydrophobicContact CE-CG 4.22Å; M62-L64 HydrophobicContact CG-CD2 4.2Å; M62-L64 HydrophobicContact CG-CG 4.35Å; M62-L64 HydrophobicContact SD-CD2 4.01Å; M62-Y75 HydrophobicContact CE-CD1 3.57Å; M62-Y75 HydrophobicContact CE-CE1 4.24Å; M62-Y75 HydrophobicContact CE-CG 4.24Å
63Q97.2Very high95.2Very high134 Ų13455 Ų5563%0.62631%0.314SS*.EExtended strand (participates in β ladder)trans-86.7131.7167.6-173.517611.300108.6S49 T50S49-Q63 CarbonylContact C-O 3.56Å; S49-Q63 VanDerWaalsContact CA-O 3.27Å; S49-Q63 WeakPolarHBondContact CA-O 2.89Å; T50-Q63 PolarHBondContact N-O 2.74Å; T50-Q63 PolarHBondContact O-N 3.35Å
64L95Very high95.2Very high37 Ų3755.7 Ų55.719%0.19432%0.318CS..EExtended strand (participates in β ladder)trans-109135.3174.9-69.4172.3000108.8V1 K48 M62 L67 Y75V1-L64 HydrophobicContact CG2-CD1 4.46Å; K48-L64 WeakPolarHBondContact O-CA 3.23Å; M62-L64 HydrophobicContact CE-CD1 4.23Å; M62-L64 HydrophobicContact CE-CD2 4.15Å; M62-L64 HydrophobicContact CE-CG 4.22Å; M62-L64 HydrophobicContact CG-CD2 4.2Å; M62-L64 HydrophobicContact CG-CG 4.35Å; M62-L64 HydrophobicContact SD-CD2 4.01Å; L64-L67 HydrophobicContact CB-CD1 3.89Å; L64-L67 HydrophobicContact CB-CD2 3.97Å; L64-L67 HydrophobicContact CB-CG 4.1Å; L64-L67 HydrophobicContact CD1-CD1 4.35Å; L64-L67 HydrophobicContact CD1-CD2 4.28Å; L64-Y75 HydrophobicContact CD1-CD1 4.23Å; L64-Y75 HydrophobicContact CD1-CE1 3.78Å; L64-Y75 HydrophobicContact CD1-CE2 4.27Å; L64-Y75 HydrophobicContact CD2-CE1 4.35Å
65S93.1Very high95.2Very high45 Ų4553.3 Ų53.332%0.31531%0.305SS..  trans-128.3154.6-178.956.90000111.3G47 K48 L67G47-S65 PolarHBondContact O-OG 2.91Å; K48-S65 PolarHBondContact O-N 2.86Å; K48-S65 PolarHBondContact O-OG 2.85Å; S65-L67 VanDerWaalsContact C-N 3.26Å; S65-L67 PolarHBondContact O-N 2.99Å
66S90.3Very high95.3Very high108 Ų10850.8 Ų50.876%0.75529%0.293SS*.SBendtrans52.242.9175.3-54.60000113.6
67L91.1Very high95.4Very high55 Ų5546.3 Ų46.329%0.28826%0.261SS..  trans-71141.9-177-67.7172000111.7L64 S65 D71 V96 V98L64-L67 HydrophobicContact CB-CD1 3.89Å; L64-L67 HydrophobicContact CB-CD2 3.97Å; L64-L67 HydrophobicContact CB-CG 4.1Å; L64-L67 HydrophobicContact CD1-CD1 4.35Å; L64-L67 HydrophobicContact CD1-CD2 4.28Å; S65-L67 VanDerWaalsContact C-N 3.26Å; S65-L67 PolarHBondContact O-N 2.99Å; L67-D71 HydrophobicContact CB-CB 4.35Å; L67-D71 HydrophobicContact CD2-CB 3.48Å; L67-D71 VanDerWaalsContact CD2-CB 3.48Å; L67-V96 HydrophobicContact CD1-CG1 4.39Å; L67-V98 HydrophobicContact CB-CG1 4.4Å; L67-V98 HydrophobicContact CB-CG2 3.94Å; L67-V98 HydrophobicContact CD1-CG2 4.16Å
68T92.4Very high95.4Very high62 Ų6244.8 Ų44.838%0.3825%0.251SS..  trans-113.6174.2171.267.80000110.6E70 D71 V98T68-E70 PolarHBondContact O-N 3Å; T68-D71 PolarHBondContact N-OD2 3Å; T68-D71 WeakPolarHBondContact O-CA 3.38Å; T68-D71 WeakPolarHBondContact O-CB 3.29Å; T68-D71 PolarHBondContact O-N 3.47Å; T68-V98 WeakPolarHBondContact O-CB 2.95Å
69S92.3Very high95.2Very high71 Ų7142.8 Ų42.850%0.49724%0.237SC..G310 helixtrans-57.1-30.917652.10000113.2D71 S72 V98S69-D71 PolarHBondContact O-N 2.92Å; S69-S72 VanDerWaalsContact O-CB 3.31Å; S69-S72 WeakPolarHBondContact O-CB 3.38Å; S69-S72 PolarHBondContact O-N 2.92Å; S69-S72 VanDerWaalsContact O-N 3.12Å; S69-S72 PolarHBondContact O-OG 3.49Å; S69-V98 WeakPolarHBondContact CA-O 3.39Å
70E89.8Confident94.9Very high140 Ų14043.3 Ų43.365%0.65424%0.239SC*.G310 helixtrans-67.4-13174.4-59-178.9173.600113.8K19 R21 T68 S72K19-E70 PolarHBondContact NZ-O 2.84Å; R21-E70 PolarHBondContact NE-O 2.92Å; R21-E70 PolarHBondContact NH2-O 2.91Å; T68-E70 PolarHBondContact O-N 3Å; E70-S72 VanDerWaalsContact C-N 3.33Å
71D92.8Very high94.4Very high7 Ų749.1 Ų49.14%0.03726%0.262CS..G310 helixtrans-88.1-1.7174.4-66.5-47.4000113.8K19 K48 L67 T68 S69 A73 Y75K19-D71 IonicContact NZ-OD1 3.93Å; K19-D71 PolarHBondContact NZ-OD1 2.64Å; K48-D71 IonicContact NZ-OD1 3.73Å; K48-D71 IonicContact NZ-OD2 3.41Å; K48-D71 PolarHBondContact NZ-OD2 2.89Å; L67-D71 HydrophobicContact CB-CB 4.35Å; L67-D71 HydrophobicContact CD2-CB 3.48Å; L67-D71 VanDerWaalsContact CD2-CB 3.48Å; T68-D71 PolarHBondContact N-OD2 3Å; T68-D71 WeakPolarHBondContact O-CA 3.38Å; T68-D71 WeakPolarHBondContact O-CB 3.29Å; T68-D71 PolarHBondContact O-N 3.47Å; S69-D71 PolarHBondContact O-N 2.92Å; D71-A73 PolarHBondContact O-N 3.15Å; D71-Y75 PolarHBondContact O-OH 3.27Å
72S95.5Very high93.1Very high31 Ų3146.9 Ų46.922%0.21726%0.264CS..  trans-64.2120.2171.8-56.70000111.2S69 E70 V96 V98S69-S72 VanDerWaalsContact O-CB 3.31Å; S69-S72 WeakPolarHBondContact O-CB 3.38Å; S69-S72 PolarHBondContact O-N 2.92Å; S69-S72 VanDerWaalsContact O-N 3.12Å; S69-S72 PolarHBondContact O-OG 3.49Å; E70-S72 VanDerWaalsContact C-N 3.33Å; S72-V96 CarbonylContact C-O 3.6Å; S72-V96 VanDerWaalsContact CA-O 3.25Å; S72-V96 WeakPolarHBondContact CA-O 3.39Å; S72-V98 PolarHBondContact OG-N 3.14Å; S72-V98 PolarHBondContact OG-O 2.89Å
73A97.1Very high91.6Very high6 Ų653.9 Ų53.95%0.0530%0.301CS..EExtended strand (participates in β ladder)trans-169.1170.6-172.300000111.3K19 Q20 R21 D71 Y75 V96K19-A73 HydrophobicContact CD-CB 4.11Å; K19-A73 HydrophobicContact CG-CB 3.47Å; K19-A73 VanDerWaalsContact CG-CB 3.47Å; Q20-A73 WeakPolarHBondContact O-CA 3.07Å; Q20-A73 VanDerWaalsContact O-CB 3.28Å; Q20-A73 WeakPolarHBondContact O-CB 2.99Å; R21-A73 HydrophobicContact CG-CB 4.25Å; D71-A73 PolarHBondContact O-N 3.15Å; A73-Y75 HydrophobicContact CB-CD2 4.32Å; A73-Y75 HydrophobicContact CB-CE2 3.79Å; A73-V96 PolarHBondContact N-O 3.13Å; A73-V96 PolarHBondContact O-N 3.35Å
74V98.3Very high90.3Very high43 Ų4349.3 Ų49.326%0.26128%0.284SS..EExtended strand (participates in β ladder)trans-88.8130.6160.5-172.30000108.6Q20 Y76 T94Q20-V74 PolarHBondContact N-O 2.85Å; Q20-V74 PolarHBondContact O-N 2.79Å; V74-Y76 HydrophobicContact CB-CE2 3.84Å; V74-Y76 HydrophobicContact CG1-CD1 4.41Å; V74-Y76 HydrophobicContact CG1-CD2 4.27Å; V74-Y76 HydrophobicContact CG1-CE1 3.77Å; V74-Y76 HydrophobicContact CG1-CE2 3.62Å; V74-Y76 WeakPolarHBondContact CG1-OH 3.48Å; V74-T94 WeakPolarHBondContact CA-O 3.48Å
75Y98.1Very high89Confident4 Ų459 Ų592%0.01632%0.32CS..EExtended strand (participates in β ladder)trans-109.5124.3178-69-94.6000109.5V18 K19 I29 M62 L64 D71 A73 G93 T94 V96V18-Y75 CarbonylContact O-C 3.45Å; V18-Y75 WeakPolarHBondContact O-CA 3.27Å; K19-Y75 HydrophobicContact CB-CD1 4.22Å; K19-Y75 HydrophobicContact CB-CE1 4.04Å; K19-Y75 HydrophobicContact CD-CE1 3.97Å; K19-Y75 WeakPolarHBondContact CE-OH 3.48Å; K19-Y75 HydrophobicContact CG-CD1 4.31Å; K19-Y75 HydrophobicContact CG-CE1 3.83Å; I29-Y75 HydrophobicContact CD1-CD1 3.75Å; I29-Y75 HydrophobicContact CD1-CE1 3.85Å; M62-Y75 HydrophobicContact CE-CD1 3.57Å; M62-Y75 HydrophobicContact CE-CE1 4.24Å; M62-Y75 HydrophobicContact CE-CG 4.24Å; L64-Y75 HydrophobicContact CD1-CD1 4.23Å; L64-Y75 HydrophobicContact CD1-CE1 3.78Å; L64-Y75 HydrophobicContact CD1-CE2 4.27Å; L64-Y75 HydrophobicContact CD2-CE1 4.35Å; D71-Y75 PolarHBondContact O-OH 3.27Å; A73-Y75 HydrophobicContact CB-CD2 4.32Å; A73-Y75 HydrophobicContact CB-CE2 3.79Å; Y75-G93 CarbonylContact O-C 3.59Å; Y75-G93 VanDerWaalsContact O-CA 3.26Å; Y75-G93 WeakPolarHBondContact O-CA 3.29Å; Y75-T94 PolarHBondContact N-O 3.13Å; Y75-T94 PolarHBondContact O-N 3.42Å; Y75-V96 HydrophobicContact CD2-CB 3.85Å; Y75-V96 HydrophobicContact CD2-CG2 3.64Å; Y75-V96 HydrophobicContact CE2-CB 3.72Å; Y75-V96 HydrophobicContact CE2-CG1 4.46Å; Y75-V96 HydrophobicContact CE2-CG2 3.97Å
76Y97.9Very high88Confident46 Ų4659 Ų5918%0.1832%0.322CS..EExtended strand (participates in β ladder)trans-109.6147.2179.9-55.4-89.7000109.8W17 V18 Q20 L26 V74 W90W17-Y76 WeakPolarHBondContact CA-O 3.34Å; V18-Y76 PolarHBondContact N-O 3.2Å; V18-Y76 PolarHBondContact O-N 3.45Å; Q20-Y76 HydrophobicContact CB-CD2 4.43Å; Q20-Y76 HydrophobicContact CB-CE2 3.7Å; Q20-Y76 PolarHBondContact OE1-OH 2.84Å; L26-Y76 HydrophobicContact CD2-CE2 4.46Å; V74-Y76 HydrophobicContact CB-CE2 3.84Å; V74-Y76 HydrophobicContact CG1-CD1 4.41Å; V74-Y76 HydrophobicContact CG1-CD2 4.27Å; V74-Y76 HydrophobicContact CG1-CE1 3.77Å; V74-Y76 HydrophobicContact CG1-CE2 3.62Å; V74-Y76 WeakPolarHBondContact CG1-OH 3.48Å; Y76-W90 HydrophobicContact CG-CE3 4.35Å; Y76-W90 HydrophobicContact CG-CZ3 4.41Å
77C97.1Very high87.5Confident14 Ų1456.8 Ų56.810%0.09530%0.301CS..EExtended strand (participates in β ladder)trans-99.9148.5156.558.40000109C3 M15 H16 W17 G91C3-C77 HydrophobicContact CB-CB 3.4Å; C3-C77 WeakPolarHBondContact CB-SG 3.43Å; C3-C77 WeakPolarHBondContact SG-CB 3.5Å; C3-C77 CovalentContact SG-SG 2.03Å; C3-C77 PolarHBondContact SG-SG 2.96Å; M15-C77 HydrophobicContact SD-CB 3.84Å; H16-C77 CarbonylContact O-C 3.56Å; H16-C77 VanDerWaalsContact O-CA 3.26Å; H16-C77 WeakPolarHBondContact O-CA 3.48Å; W17-C77 HydrophobicContact CE3-CB 4.16Å; W17-C77 HydrophobicContact CH2-CB 4.24Å; W17-C77 HydrophobicContact CZ3-CB 3.97Å; C77-G91 PolarHBondContact O-N 3.49Å
78A95.6Very high87.1Confident2 Ų259 Ų592%0.01731%0.313CS..EExtended strand (participates in β ladder)trans-139.7156.8171.600000110H16 M87 Y89 W90H16-A78 PolarHBondContact N-O 3.01Å; H16-A78 PolarHBondContact O-N 2.79Å; A78-M87 HydrophobicContact CB-CB 4.01Å; A78-M87 HydrophobicContact CB-CG 4.27Å; A78-M87 HydrophobicContact CB-SD 3.95Å; A78-Y89 CarbonylContact C-O 3.59Å; A78-Y89 WeakPolarHBondContact CA-O 3.12Å; A78-Y89 WeakPolarHBondContact CB-O 3.47Å; A78-W90 HydrophobicContact CB-CD2 3.72Å; A78-W90 HydrophobicContact CB-CE3 3.98Å; A78-W90 HydrophobicContact CB-CG 4.15Å; A78-W90 HydrophobicContact CB-CH2 4.31Å; A78-W90 HydrophobicContact CB-CZ2 4.06Å; A78-W90 HydrophobicContact CB-CZ3 4.27Å
79A93.9Very high86.9Confident1 Ų161 Ų611%0.00831%0.314CS..EExtended strand (participates in β ladder)trans-130.4139.817800000111.6Y8 Y13 W14 M15 D88 Y89Y8-A79 HydrophobicContact CE2-CB 4.43Å; Y13-A79 HydrophobicContact CD1-CB 4.21Å; W14-A79 VanDerWaalsContact O-CA 3.24Å; W14-A79 WeakPolarHBondContact O-CA 3.41Å; M15-A79 HydrophobicContact CE-CB 4.09Å; M15-A79 HydrophobicContact SD-CB 4.39Å; A79-D88 PolarHBondContact O-N 3.3Å; A79-Y89 PolarHBondContact N-O 3.37Å; A79-Y89 PolarHBondContact O-N 2.6Å
80D91.3Very high87.1Confident21 Ų2162.9 Ų62.911%0.11231%0.31CS..EExtended strand (participates in β ladder)trans-122.1152.817076.7-11.2000110.1Y13 W14 H16 A86Y13-D80 CarbonylContact C-O 3.49Å; Y13-D80 WeakPolarHBondContact CA-O 3.38Å; Y13-D80 WeakPolarHBondContact CB-O 3.43Å; Y13-D80 WeakPolarHBondContact CD1-O 3.48Å; W14-D80 VanDerWaalsContact CB-OD1 3.24Å; W14-D80 WeakPolarHBondContact CB-OD1 3.49Å; W14-D80 PolarHBondContact N-O 2.78Å; W14-D80 PolarHBondContact O-N 2.79Å; H16-D80 IonicContact CE1-OD1 2.82Å; H16-D80 IonicContact CE1-OD2 3.78Å; H16-D80 IonicContact NE2-OD1 2.91Å; H16-D80 PolarHBondContact NE2-OD1 3.21Å; H16-D80 VanDerWaalsContact NE2-OD1 3.11Å; H16-D80 IonicContact NE2-OD2 3.11Å; H16-D80 PolarHBondContact NE2-OD2 3.03Å; D80-A86 VanDerWaalsContact CB-O 3.32Å; D80-A86 WeakPolarHBondContact CB-O 3.11Å
81Y87.8Confident87.3Confident122 Ų12257.4 Ų57.448%0.47829%0.291SS..EExtended strand (participates in β ladder)trans-81126.4172-174.9-106.8000107.2S12 Y13 N83 S84S12-Y81 WeakPolarHBondContact O-CD2 3.48Å; Y13-Y81 HydrophobicContact CD2-CD2 4.18Å; Y13-Y81 HydrophobicContact CE1-CD2 4.2Å; Y13-Y81 HydrophobicContact CE1-CG 4.48Å; Y13-Y81 AromaticContact CE2-CD2 3.69Å; Y13-Y81 HydrophobicContact CE2-CD2 3.69Å; Y13-Y81 HydrophobicContact CE2-CE2 4.39Å; Y13-Y81 AromaticContact CZ-CD2 3.69Å; Y81-N83 CarbonylContact O-C 3.56Å; Y81-N83 PolarHBondContact O-N 2.75Å; Y81-S84 WeakPolarHBondContact O-CA 3.44Å; Y81-S84 VanDerWaalsContact O-CB 3.22Å; Y81-S84 WeakPolarHBondContact O-CB 3.49Å; Y81-S84 PolarHBondContact O-N 2.86Å
82G70.4Confident87.5Confident34 Ų3466 Ų6635%0.35133%0.332SS..THydrogen-bonded Turntrans-55.84.3-159.400000120.9
83N67.1Low87.5Confident149 Ų14966 Ų6680%0.79734%0.336SS*.THydrogen-bonded Turntrans-120.25.7167.8-65.7-46.2000113.5Y81Y81-N83 CarbonylContact O-C 3.56Å; Y81-N83 PolarHBondContact O-N 2.75Å
84S70.4Confident87.5Confident38 Ų3869 Ų6927%0.26635%0.353SS..  trans-93.8143.9179.9-174.40000109.6Y81 A86Y81-S84 WeakPolarHBondContact O-CA 3.44Å; Y81-S84 VanDerWaalsContact O-CB 3.22Å; Y81-S84 WeakPolarHBondContact O-CB 3.49Å; Y81-S84 PolarHBondContact O-N 2.86Å; S84-A86 VanDerWaalsContact C-N 3.32Å; S84-A86 PolarHBondContact OG-N 3.37Å
85Y66.4Low87.5Confident241 Ų24171 Ų7195%0.94537%0.37SS*.SBendtrans-91.93.4172.7-60.9-72.8000112.6
86A72.8Confident87.4Confident43 Ų4372.4 Ų72.436%0.35538%0.378SS..SBendtrans-114.2125.7-175.900000111.1D80 S84 D88D80-A86 VanDerWaalsContact CB-O 3.32Å; D80-A86 WeakPolarHBondContact CB-O 3.11Å; S84-A86 VanDerWaalsContact C-N 3.32Å; S84-A86 PolarHBondContact OG-N 3.37Å; A86-D88 VanDerWaalsContact C-N 3.29Å; A86-D88 VanDerWaalsContact CB-OD1 3.27Å; A86-D88 WeakPolarHBondContact CB-OD1 3.12Å; A86-D88 PolarHBondContact O-N 3.08Å
87M80.1Confident87.3Confident63 Ų6375.6 Ų75.631%0.3140%0.403SS..  trans-75.984.9167.7-65.4177-169.700108.3H16 A78 Y89 W90H16-M87 HydrophobicContact CB-CE 4Å; H16-M87 HydrophobicContact CB-SD 4.29Å; A78-M87 HydrophobicContact CB-CB 4.01Å; A78-M87 HydrophobicContact CB-CG 4.27Å; A78-M87 HydrophobicContact CB-SD 3.95Å; M87-Y89 VanDerWaalsContact C-N 3.33Å; M87-W90 HydrophobicContact CB-CZ2 4Å; M87-W90 VanDerWaalsContact O-CD1 3.25Å; M87-W90 PolarHBondContact O-NE1 2.83Å; M87-W90 HydrophobicContact SD-CH2 4.18Å; M87-W90 HydrophobicContact SD-CZ2 3.74Å
88D81.7Confident87.1Confident101 Ų10176.6 Ų76.654%0.5441%0.408SS..  trans-74.6-24.3-171.4-65.2-39.6000112.8A79 A86A79-D88 PolarHBondContact O-N 3.3Å; A86-D88 VanDerWaalsContact C-N 3.29Å; A86-D88 VanDerWaalsContact CB-OD1 3.27Å; A86-D88 WeakPolarHBondContact CB-OD1 3.12Å; A86-D88 PolarHBondContact O-N 3.08Å
89Y89.6Confident86.8Confident105 Ų10581.2 Ų81.241%0.41244%0.441SS..EExtended strand (participates in β ladder)trans-115.5128.5-179.4-58.4-80.1000111Y8 Y13 A78 A79 M87Y8-Y89 HydrophobicContact CE1-CG 4.34Å; Y13-Y89 HydrophobicContact CD1-CD2 4.42Å; Y13-Y89 HydrophobicContact CD1-CE2 4.49Å; Y13-Y89 HydrophobicContact CE1-CD2 4Å; Y13-Y89 AromaticContact CE1-CE2 3.66Å; Y13-Y89 HydrophobicContact CE1-CE2 3.66Å; A78-Y89 CarbonylContact C-O 3.59Å; A78-Y89 WeakPolarHBondContact CA-O 3.12Å; A78-Y89 WeakPolarHBondContact CB-O 3.47Å; A79-Y89 PolarHBondContact N-O 3.37Å; A79-Y89 PolarHBondContact O-N 2.6Å; M87-Y89 VanDerWaalsContact C-N 3.33Å
90W94.6Very high86.3Confident110 Ų11086.1 Ų86.142%0.41748%0.475SS..EExtended strand (participates in β ladder)trans-125.5136.1176.8-72.973.8000111.3V18 L26 Y76 A78 M87V18-W90 HydrophobicContact CB-CH2 4.27Å; V18-W90 HydrophobicContact CB-CZ3 4.05Å; V18-W90 HydrophobicContact CG1-CH2 4.25Å; V18-W90 HydrophobicContact CG1-CZ3 4.23Å; V18-W90 HydrophobicContact CG2-CH2 3.87Å; V18-W90 HydrophobicContact CG2-CZ3 4.04Å; L26-W90 HydrophobicContact CD1-CH2 3.9Å; L26-W90 HydrophobicContact CD1-CZ3 4.34Å; Y76-W90 HydrophobicContact CG-CE3 4.35Å; Y76-W90 HydrophobicContact CG-CZ3 4.41Å; A78-W90 HydrophobicContact CB-CD2 3.72Å; A78-W90 HydrophobicContact CB-CE3 3.98Å; A78-W90 HydrophobicContact CB-CG 4.15Å; A78-W90 HydrophobicContact CB-CH2 4.31Å; A78-W90 HydrophobicContact CB-CZ2 4.06Å; A78-W90 HydrophobicContact CB-CZ3 4.27Å; M87-W90 HydrophobicContact CB-CZ2 4Å; M87-W90 VanDerWaalsContact O-CD1 3.25Å; M87-W90 PolarHBondContact O-NE1 2.83Å; M87-W90 HydrophobicContact SD-CH2 4.18Å; M87-W90 HydrophobicContact SD-CZ2 3.74Å
91G95.3Very high85.4Confident25 Ų2593.3 Ų93.326%0.25851%0.508SS..  trans-71160.3166.300000111.5C77 G93C77-G91 PolarHBondContact O-N 3.49Å; G91-G93 PolarHBondContact O-N 2.95Å; G91-G93 VanDerWaalsContact O-N 3.1Å
92Q95.9Very high84.4Confident188 Ų18892.4 Ų92.488%0.87952%0.519SS*.  trans-65.4-12.5178.1-64.1-61.2-52.300113.9
93G96.6Very high83.8Confident30 Ų3097.6 Ų97.631%0.30954%0.535SS..  trans84.7158.1-175.500000112.8Y75 G91Y75-G93 CarbonylContact O-C 3.59Å; Y75-G93 VanDerWaalsContact O-CA 3.26Å; Y75-G93 WeakPolarHBondContact O-CA 3.29Å; G91-G93 PolarHBondContact O-N 2.95Å; G91-G93 VanDerWaalsContact O-N 3.1Å
94T97.6Very high83.6Confident68 Ų6895.9 Ų95.942%0.41754%0.535SS..EExtended strand (participates in β ladder)trans-131.9130.7173.7-129.20000109.6V1 V74 Y75 V96V1-T94 HydrophobicContact CG1-CG2 3.92Å; V1-T94 HydrophobicContact CG2-CG2 4.29Å; V74-T94 WeakPolarHBondContact CA-O 3.48Å; Y75-T94 PolarHBondContact N-O 3.13Å; Y75-T94 PolarHBondContact O-N 3.42Å; T94-V96 HydrophobicContact CG2-CG2 4.04Å
95S97.4Very high83Confident87 Ų87106.3 Ų106.361%0.60858%0.576SS**EExtended strand (participates in β ladder)trans-77.9127176-171.30000109.6
96V95.9Very high83.8Confident32 Ų3299.6 Ų99.619%0.19456%0.557CS.*EExtended strand (participates in β ladder)trans-116.2123.6168.91790000107L67 S72 A73 Y75 T94 V98L67-V96 HydrophobicContact CD1-CG1 4.39Å; S72-V96 CarbonylContact C-O 3.6Å; S72-V96 VanDerWaalsContact CA-O 3.25Å; S72-V96 WeakPolarHBondContact CA-O 3.39Å; A73-V96 PolarHBondContact N-O 3.13Å; A73-V96 PolarHBondContact O-N 3.35Å; Y75-V96 HydrophobicContact CD2-CB 3.85Å; Y75-V96 HydrophobicContact CD2-CG2 3.64Å; Y75-V96 HydrophobicContact CE2-CB 3.72Å; Y75-V96 HydrophobicContact CE2-CG1 4.46Å; Y75-V96 HydrophobicContact CE2-CG2 3.97Å; T94-V96 HydrophobicContact CG2-CG2 4.04Å; V96-V98 HydrophobicContact CG1-CG2 4.28Å
97T95.5Very high84.4Confident114 Ų114102.6 Ų102.670%0.69957%0.568SS**  trans-117.2129.5178.4-55.60000108.7
98V93Very high84.6Confident34 Ų34104.8 Ų104.821%0.20658%0.582CS.*  trans-122.1116179.6-175.20000107.5L67 T68 S69 S72 V96L67-V98 HydrophobicContact CB-CG1 4.4Å; L67-V98 HydrophobicContact CB-CG2 3.94Å; L67-V98 HydrophobicContact CD1-CG2 4.16Å; T68-V98 WeakPolarHBondContact O-CB 2.95Å; S69-V98 WeakPolarHBondContact CA-O 3.39Å; S72-V98 PolarHBondContact OG-N 3.14Å; S72-V98 PolarHBondContact OG-O 2.89Å; V96-V98 HydrophobicContact CG1-CG2 4.28Å
99S89.6Confident84.8Confident99 Ų99105 Ų10569%0.69258%0.584SS**  trans-106.4141.7176.252.30000110.2
100S83.4Confident84.5Confident105 Ų105105 Ų10573%0.73460%0.595SS**  trans-72.7123.616451.60000109.1S102S100-S102 PolarHBondContact O-N 2.63Å
101E73.1Confident83.8Confident171 Ų171104.7 Ų104.780%0.79961%0.607SS**  trans-77.3117.8163.1-84.2-177.6162.700108.9
102S66.7Low83Confident103 Ų103110.4 Ų110.472%0.7263%0.632SS**  trans-81.9107.715850.20000107.4S100 S104S100-S102 PolarHBondContact O-N 2.63Å; S102-S104 PolarHBondContact O-N 3.19Å; S102-S104 VanDerWaalsContact O-N 3.09Å
103Q57.9Low82Confident144 Ų144104.4 Ų104.467%0.67361%0.613SS**  trans-69.5104.5163.5-70.1-175.60.700107.2F105Q103-F105 PolarHBondContact O-N 2.66Å
104S61.8Low80.8Confident113 Ų113110.6 Ų110.679%0.7964%0.638SS**  trans-66.5113.5168.3-45.30000107.6S102S102-S104 PolarHBondContact O-N 3.19Å; S102-S104 VanDerWaalsContact O-N 3.09Å
105F57.5Low79.2Confident257 Ų257114.5 Ų114.5100%1.12766%0.659SS**  trans-84.40166.4-72.9-81.3000110.5Q103Q103-F105 PolarHBondContact O-N 2.66Å

Retrieved 105 of 105 residues in 21.4 ms (Link to these results)

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