X5J511_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J511, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 98 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1L94.5Very high92Very high62 Ų6259.9 Ų59.933%0.32538%0.379SS..  0137.80-67173.4000108.7W17 Y60 L61 Y74 T92 V94L1-W17 HydrophobicContact CB-CH2 3.8Å; L1-W17 HydrophobicContact CB-CZ2 4.44Å; L1-W17 HydrophobicContact CB-CZ3 4.14Å; L1-W17 HydrophobicContact CD1-CZ3 4.38Å; L1-Y60 CarbonylContact O-C 3.52Å; L1-Y60 VanDerWaalsContact O-CA 3.23Å; L1-Y60 WeakPolarHBondContact O-CA 2.84Å; L1-L61 HydrophobicContact CB-CB 4.25Å; L1-L61 HydrophobicContact CD1-CD2 4Å; L1-L61 PolarHBondContact N-O 2.89Å; L1-L61 PolarHBondContact O-N 2.9Å; L1-Y74 HydrophobicContact CD1-CD1 3.61Å; L1-Y74 HydrophobicContact CD1-CD2 4.03Å; L1-Y74 HydrophobicContact CD1-CE1 4.29Å; L1-Y74 HydrophobicContact CD1-CG 3.44Å; L1-Y74 VanDerWaalsContact CD1-CG 3.44Å; L1-T92 HydrophobicContact CD2-CG2 4.11Å; L1-V94 HydrophobicContact CD1-CG2 4.3Å; L1-V94 HydrophobicContact CD2-CG2 3.91Å
2T95.5Very high91.7Very high80 Ų8059.4 Ų59.449%0.49138%0.379SS..EExtended strand (participates in β ladder)trans-120.9131.7-175.7-58.70000109.1Q58 Y60T2-Q58 HydrophobicContact CG2-CG 4.26Å; T2-Y60 HydrophobicContact CG2-CD1 3.83Å; T2-Y60 HydrophobicContact CG2-CE1 3.55Å; T2-Y60 WeakPolarHBondContact OG1-CD1 3.42Å
3C94.3Very high91.5Very high7 Ų756.7 Ų56.75%0.04736%0.36CS..EExtended strand (participates in β ladder)trans-114.6119167.9-175.80000108.6W17 Q58 Y59 C76C3-W17 HydrophobicContact CB-CH2 4.03Å; C3-W17 HydrophobicContact CB-CZ2 3.94Å; C3-Q58 WeakPolarHBondContact O-CA 3.46Å; C3-Y59 HydrophobicContact CB-CD1 3.95Å; C3-Y59 HydrophobicContact CB-CD2 4.39Å; C3-Y59 HydrophobicContact CB-CE1 3.54Å; C3-Y59 HydrophobicContact CB-CE2 4.01Å; C3-Y59 HydrophobicContact CB-CG 4.37Å; C3-Y59 PolarHBondContact N-O 3.37Å; C3-Y59 PolarHBondContact O-N 2.8Å; C3-Y59 WeakPolarHBondContact SG-CE1 3.44Å; C3-Y59 PolarHBondContact SG-OH 3.27Å; C3-Y59 VanDerWaalsContact SG-OH 3.37Å; C3-C76 HydrophobicContact CB-CB 3.4Å; C3-C76 VanDerWaalsContact CB-CB 3.4Å; C3-C76 WeakPolarHBondContact CB-SG 3.35Å; C3-C76 WeakPolarHBondContact SG-CB 3.27Å; C3-C76 CovalentContact SG-SG 2.05Å; C3-C76 PolarHBondContact SG-SG 3.13Å
4S94.1Very high91.6Very high70 Ų7056 Ų5649%0.4935%0.347SS..EExtended strand (participates in β ladder)trans-98123.1174.8-56.40000108.9Q58S4-Q58 WeakPolarHBondContact OG-CG 3.28Å; S4-Q58 PolarHBondContact OG-NE2 3.07Å
5V91.5Very high91.7Very high9 Ų952.4 Ų52.46%0.05533%0.325CS..  trans-93134178.9-178.90000108.9Y8 I10 W15 N57 Y59 W88V5-Y8 WeakPolarHBondContact CG1-O 3.37Å; V5-I10 HydrophobicContact CB-CG2 3.88Å; V5-I10 HydrophobicContact CG2-CG2 3.54Å; V5-W15 HydrophobicContact CB-CH2 4.41Å; V5-W15 HydrophobicContact CG1-CH2 3.65Å; V5-W15 HydrophobicContact CG1-CZ2 4.4Å; V5-W15 HydrophobicContact CG1-CZ3 4.09Å; V5-W15 HydrophobicContact CG2-CE3 4.03Å; V5-W15 HydrophobicContact CG2-CH2 3.91Å; V5-W15 HydrophobicContact CG2-CZ3 3.64Å; V5-N57 PolarHBondContact N-O 3.34Å; V5-N57 PolarHBondContact O-ND2 3.41Å; V5-Y59 HydrophobicContact CG2-CD1 4.18Å; V5-Y59 HydrophobicContact CG2-CE1 3.78Å; V5-W88 HydrophobicContact CG1-CE3 4.41Å
6T89.6Confident91.8Very high115 Ų11549.2 Ų49.271%0.70631%0.305SS*.  trans-123.9142.6174.955.10000108.9Y8T6-Y8 PolarHBondContact O-N 3.23Å
7G88.1Confident92Very high80 Ų8046.6 Ų46.683%0.82529%0.288SS*.SBendtrans77.1-9.4-178.800000116.3
8Y87.6Confident92.2Very high115 Ų11545.3 Ų45.345%0.45128%0.279SS..SBendtrans-138.5160.2176.7-77.9-96.2000111.1V5 T6 N57 W88V5-Y8 WeakPolarHBondContact CG1-O 3.37Å; T6-Y8 PolarHBondContact O-N 3.23Å; Y8-N57 PolarHBondContact O-ND2 2.89Å; Y8-W88 AromaticContact CD2-CH2 3.02Å; Y8-W88 HydrophobicContact CD2-CH2 3.02Å; Y8-W88 AromaticContact CD2-CZ2 4Å; Y8-W88 HydrophobicContact CD2-CZ2 4Å; Y8-W88 AromaticContact CD2-CZ3 3.43Å; Y8-W88 HydrophobicContact CD2-CZ3 3.43Å; Y8-W88 VanDerWaalsContact CD2-CZ3 3.43Å; Y8-W88 AromaticContact CE2-CH2 3.24Å; Y8-W88 HydrophobicContact CE2-CH2 3.24Å; Y8-W88 HydrophobicContact CE2-CZ2 4.07Å; Y8-W88 HydrophobicContact CE2-CZ3 4.05Å; Y8-W88 AromaticContact CG-CH2 3.79Å; Y8-W88 HydrophobicContact CG-CH2 3.79Å; Y8-W88 HydrophobicContact CG-CZ2 4.46Å; Y8-W88 HydrophobicContact CG-CZ3 4.16Å
9S91.3Very high92.3Very high52 Ų5243.5 Ų43.536%0.36427%0.266SS..  trans-96.3134.5175.7-179.50000111.2T11 S12 W15 N57S9-T11 PolarHBondContact O-N 2.87Å; S9-T11 PolarHBondContact OG-N 2.85Å; S9-T11 PolarHBondContact OG-OG1 3.04Å; S9-S12 PolarHBondContact O-N 3.05Å; S9-S12 VanDerWaalsContact O-N 3.13Å; S9-S12 PolarHBondContact O-OG 3.26Å; S9-W15 WeakPolarHBondContact O-CZ2 3.42Å; S9-N57 WeakPolarHBondContact CA-OD1 3.45Å
10I92.5Very high92.4Very high1 Ų144.5 Ų44.51%0.00527%0.267CS..THydrogen-bonded Turntrans-65.1-6.6173.166.3169.1000113.8V5 W15 R52 T54 N57 Q58 Y59V5-I10 HydrophobicContact CB-CG2 3.88Å; V5-I10 HydrophobicContact CG2-CG2 3.54Å; I10-W15 VanDerWaalsContact C-NE1 3.31Å; I10-W15 HydrophobicContact CB-CZ2 4.47Å; I10-W15 HydrophobicContact CG2-CD2 4.43Å; I10-W15 HydrophobicContact CG2-CZ2 4.33Å; I10-W15 PolarHBondContact O-NE1 3.11Å; I10-R52 HydrophobicContact CD1-CB 3.98Å; I10-T54 HydrophobicContact CD1-CG2 4.12Å; I10-T54 HydrophobicContact CG1-CG2 4.28Å; I10-N57 WeakPolarHBondContact CG2-OD1 3.44Å; I10-N57 PolarHBondContact N-OD1 3.11Å; I10-Q58 WeakPolarHBondContact CD1-O 3.36Å; I10-Y59 HydrophobicContact CG2-CD1 4.22Å
11T92.9Very high92.6Very high68 Ų6844.3 Ų44.342%0.41726%0.262SS..THydrogen-bonded Turntrans-97.313.8176.969.50000113.3S9 Y34 T54S9-T11 PolarHBondContact O-N 2.87Å; S9-T11 PolarHBondContact OG-N 2.85Å; S9-T11 PolarHBondContact OG-OG1 3.04Å; T11-Y34 VanDerWaalsContact C-CB 3.49Å; T11-Y34 WeakPolarHBondContact O-CB 3.1Å; T11-T54 HydrophobicContact CG2-CG2 3.53Å
12S88.6Confident92.4Very high54 Ų5446.4 Ų46.438%0.37828%0.28SS..SBendtrans-103.3-26.6177.264.90000114.7S9S9-S12 PolarHBondContact O-N 3.05Å; S9-S12 VanDerWaalsContact O-N 3.13Å; S9-S12 PolarHBondContact O-OG 3.26Å
13D89.6Confident92.2Very high24 Ų2446.1 Ų46.113%0.12829%0.293CS..SBendtrans-142.7-172.5-164.4-73.6-66.3000113.2W15 S33 Y34 R78D13-W15 HydrophobicContact CB-CZ2 4.38Å; D13-W15 PolarHBondContact O-NE1 2.83Å; D13-S33 CarbonylContact O-C 3.48Å; D13-Y34 PolarHBondContact O-N 3.14Å; D13-R78 HydrophobicContact CB-CG 3.78Å; D13-R78 IonicContact OD2-NH1 3.43Å
14Y91.8Very high91.9Very high47 Ų4751.1 Ų51.118%0.18432%0.319CS..EExtended strand (participates in β ladder)trans-93132.7169.8-60.2-95.9000110.5N16 Y31 R78 A79 W81Y14-N16 PolarHBondContact O-ND2 2.82Å; Y14-N16 VanDerWaalsContact O-ND2 3.12Å; Y14-Y31 AromaticContact CD1-CD2 3.84Å; Y14-Y31 HydrophobicContact CD1-CD2 3.84Å; Y14-Y31 AromaticContact CD1-CE2 3.77Å; Y14-Y31 HydrophobicContact CD1-CE2 3.77Å; Y14-Y31 HydrophobicContact CD1-CG 4.34Å; Y14-Y31 HydrophobicContact CE1-CE2 4.05Å; Y14-R78 WeakPolarHBondContact O-CA 3.49Å; Y14-A79 PolarHBondContact N-O 2.69Å; Y14-A79 PolarHBondContact O-N 3.33Å; Y14-W81 HydrophobicContact CE2-CD2 4.31Å; Y14-W81 HydrophobicContact CE2-CE3 4.34Å; Y14-W81 HydrophobicContact CE2-CH2 4.37Å; Y14-W81 HydrophobicContact CE2-CZ2 4.32Å; Y14-W81 HydrophobicContact CE2-CZ3 4.38Å; Y14-W81 WeakPolarHBondContact OH-CH2 3.45Å; Y14-W81 WeakPolarHBondContact OH-CZ3 3.48Å
15W93.1Very high91.9Very high2 Ų254.7 Ų54.71%0.00833%0.326CS..EExtended strand (participates in β ladder)trans-116.3121.1-177.8-58.894.7000110.2V5 S9 I10 D13 Y31 I32 Y59 R78 W88V5-W15 HydrophobicContact CB-CH2 4.41Å; V5-W15 HydrophobicContact CG1-CH2 3.65Å; V5-W15 HydrophobicContact CG1-CZ2 4.4Å; V5-W15 HydrophobicContact CG1-CZ3 4.09Å; V5-W15 HydrophobicContact CG2-CE3 4.03Å; V5-W15 HydrophobicContact CG2-CH2 3.91Å; V5-W15 HydrophobicContact CG2-CZ3 3.64Å; S9-W15 WeakPolarHBondContact O-CZ2 3.42Å; I10-W15 VanDerWaalsContact C-NE1 3.31Å; I10-W15 HydrophobicContact CB-CZ2 4.47Å; I10-W15 HydrophobicContact CG2-CD2 4.43Å; I10-W15 HydrophobicContact CG2-CZ2 4.33Å; I10-W15 PolarHBondContact O-NE1 3.11Å; D13-W15 HydrophobicContact CB-CZ2 4.38Å; D13-W15 PolarHBondContact O-NE1 2.83Å; W15-Y31 CarbonylContact O-C 3.47Å; W15-Y31 WeakPolarHBondContact O-CA 3.33Å; W15-Y31 WeakPolarHBondContact O-CB 3.5Å; W15-I32 HydrophobicContact CB-CG2 4.11Å; W15-I32 PolarHBondContact N-O 3.47Å; W15-I32 PolarHBondContact O-N 2.83Å; W15-Y59 HydrophobicContact CB-CD1 4.1Å; W15-Y59 HydrophobicContact CB-CD2 3.96Å; W15-Y59 HydrophobicContact CB-CE1 3.93Å; W15-Y59 HydrophobicContact CB-CE2 3.8Å; W15-Y59 HydrophobicContact CB-CG 4.09Å; W15-Y59 HydrophobicContact CD2-CD1 4.45Å; W15-Y59 HydrophobicContact CD2-CE1 4.01Å; W15-Y59 HydrophobicContact CE3-CD1 4.48Å; W15-Y59 AromaticContact CE3-CE1 3.65Å; W15-Y59 HydrophobicContact CE3-CE1 3.65Å; W15-Y59 AromaticContact CE3-CZ 3.98Å; W15-Y59 HydrophobicContact CG-CD1 4.27Å; W15-Y59 HydrophobicContact CG-CE1 4.14Å; W15-Y59 HydrophobicContact CZ3-CE1 4.5Å; W15-R78 HydrophobicContact CE3-CB 4.09Å; W15-R78 HydrophobicContact CE3-CG 4.29Å; W15-R78 HydrophobicContact CH2-CB 4.23Å; W15-R78 HydrophobicContact CH2-CG 3.93Å; W15-R78 HydrophobicContact CZ2-CG 4.31Å; W15-R78 HydrophobicContact CZ3-CB 3.73Å; W15-R78 HydrophobicContact CZ3-CG 3.91Å; W15-W88 HydrophobicContact CZ3-CD2 4.47Å; W15-W88 HydrophobicContact CZ3-CG 4.48Å
16N94Very high92Very high1 Ų159.6 Ų59.61%0.00535%0.351CS..EExtended strand (participates in β ladder)trans-118.2148-160.8-59.1-92.6000110.4Y14 Y28 G30 Y31 C76 A77 A79 F85Y14-N16 PolarHBondContact O-ND2 2.82Å; Y14-N16 VanDerWaalsContact O-ND2 3.12Å; N16-Y28 HydrophobicContact CB-CE2 4.16Å; N16-Y28 PolarHBondContact OD1-OH 3.48Å; N16-G30 WeakPolarHBondContact CA-O 3.34Å; N16-Y31 VanDerWaalsContact OD1-CB 3.28Å; N16-Y31 WeakPolarHBondContact OD1-CB 3.39Å; N16-C76 WeakPolarHBondContact O-CA 3.48Å; N16-A77 HydrophobicContact CB-CB 4.3Å; N16-A77 WeakPolarHBondContact CB-O 3.31Å; N16-A77 PolarHBondContact N-O 2.99Å; N16-A77 PolarHBondContact ND2-O 2.83Å; N16-A77 PolarHBondContact O-N 3.19Å; N16-A79 VanDerWaalsContact ND2-CB 3.28Å; N16-A79 WeakPolarHBondContact ND2-CB 3.44Å; N16-A79 PolarHBondContact ND2-N 2.98Å; N16-F85 HydrophobicContact CB-CD1 4.28Å; N16-F85 HydrophobicContact CB-CE1 3.9Å; N16-F85 VanDerWaalsContact CG-CE1 3.49Å
17W95.3Very high92.2Very high6 Ų656.2 Ų56.22%0.02333%0.327CS..EExtended strand (participates in β ladder)trans-114130.2170.1-75.399000110.3L1 C3 M29 G30 Y59 L61 Y75 C76L1-W17 HydrophobicContact CB-CH2 3.8Å; L1-W17 HydrophobicContact CB-CZ2 4.44Å; L1-W17 HydrophobicContact CB-CZ3 4.14Å; L1-W17 HydrophobicContact CD1-CZ3 4.38Å; C3-W17 HydrophobicContact CB-CH2 4.03Å; C3-W17 HydrophobicContact CB-CZ2 3.94Å; W17-M29 HydrophobicContact CB-CB 4.04Å; W17-M29 HydrophobicContact CB-SD 4.35Å; W17-M29 WeakPolarHBondContact O-CB 3.15Å; W17-M29 PolarHBondContact O-N 2.89Å; W17-G30 PolarHBondContact N-O 3.13Å; W17-Y59 HydrophobicContact CD2-CE2 4.48Å; W17-Y59 AromaticContact CE2-CD2 3.91Å; W17-Y59 AromaticContact CE2-CE2 3.74Å; W17-Y59 HydrophobicContact CZ2-CD2 4.17Å; W17-Y59 HydrophobicContact CZ2-CE2 4.07Å; W17-Y59 AromaticContact NE1-CD2 3.33Å; W17-Y59 VanDerWaalsContact NE1-CD2 3.33Å; W17-Y59 AromaticContact NE1-CE2 3.44Å; W17-L61 HydrophobicContact CB-CD2 4.15Å; W17-L61 HydrophobicContact CD2-CB 3.6Å; W17-L61 HydrophobicContact CD2-CD2 3.77Å; W17-L61 HydrophobicContact CD2-CG 4.28Å; W17-L61 HydrophobicContact CE3-CB 4.17Å; W17-L61 HydrophobicContact CE3-CD2 3.79Å; W17-L61 HydrophobicContact CG-CB 3.92Å; W17-L61 HydrophobicContact CG-CD2 3.94Å; W17-L61 HydrophobicContact CG-CG 4.37Å; W17-L61 HydrophobicContact CH2-CB 4.34Å; W17-L61 HydrophobicContact CZ2-CB 3.8Å; W17-L61 HydrophobicContact CZ3-CD2 4.46Å; W17-Y75 WeakPolarHBondContact CA-O 3.26Å; W17-C76 HydrophobicContact CE3-CB 4.22Å; W17-C76 HydrophobicContact CH2-CB 4Å; W17-C76 HydrophobicContact CZ2-CB 4.3Å; W17-C76 HydrophobicContact CZ3-CB 3.96Å
18I94.7Very high92.5Very high23 Ų2355.2 Ų55.212%0.11830%0.299CS..EExtended strand (participates in β ladder)trans-131.1137.4178-55.7167.6000106.7L26 E27 Y28 Y75 A77 F85I18-L26 HydrophobicContact CG2-CB 4.43Å; I18-L26 HydrophobicContact CG2-CD2 4.01Å; I18-E27 WeakPolarHBondContact CA-O 3.49Å; I18-Y28 HydrophobicContact CG1-CD2 4.2Å; I18-Y75 PolarHBondContact N-O 2.93Å; I18-Y75 PolarHBondContact O-N 2.81Å; I18-A77 HydrophobicContact CD1-CB 4.14Å; I18-F85 HydrophobicContact CD1-CD1 4.35Å; I18-F85 HydrophobicContact CD1-CG 4.39Å
19R95Very high92.9Very high11 Ų1149.8 Ų49.84%0.04228%0.278CS..EExtended strand (participates in β ladder)trans-114.6144.1170.367.1179.2178.2172.72.9111.3F21 L26 E27 M29 D70 A72 T73 Y74R19-F21 HydrophobicContact CG-CE2 4.3Å; R19-F21 HydrophobicContact CG-CZ 4.26Å; R19-F21 VanDerWaalsContact NE-CZ 3.35Å; R19-L26 CarbonylContact O-C 3.59Å; R19-L26 WeakPolarHBondContact O-CA 3.37Å; R19-E27 HydrophobicContact CG-CB 4.07Å; R19-E27 IonicContact CZ-OE2 3.72Å; R19-E27 PolarHBondContact N-O 2.9Å; R19-E27 IonicContact NE-OE2 2.72Å; R19-E27 PolarHBondContact NE-OE2 3.35Å; R19-E27 IonicContact NH2-OE2 3.86Å; R19-E27 PolarHBondContact NH2-OE2 3.01Å; R19-E27 PolarHBondContact O-N 2.89Å; R19-M29 HydrophobicContact CB-SD 4.04Å; R19-M29 HydrophobicContact CG-CG 4.21Å; R19-M29 HydrophobicContact CG-SD 4.08Å; R19-D70 IonicContact CZ-OD1 3.07Å; R19-D70 IonicContact NH1-OD1 2.69Å; R19-D70 PolarHBondContact NH1-OD1 2.99Å; R19-D70 IonicContact NH2-OD1 2.67Å; R19-A72 HydrophobicContact CB-CB 3.99Å; R19-A72 HydrophobicContact CG-CB 4.42Å; R19-T73 CarbonylContact C-O 3.57Å; R19-T73 WeakPolarHBondContact CA-O 3.23Å; R19-Y74 HydrophobicContact CB-CD1 3.88Å; R19-Y74 HydrophobicContact CB-CE1 3.93Å; R19-Y74 HydrophobicContact CB-CG 4.26Å; R19-Y74 PolarHBondContact NH1-OH 2.84Å
20K95Very high93.1Very high63 Ų6347.3 Ų47.327%0.27426%0.26SS..EExtended strand (participates in β ladder)trans-116.9116.9178.6-169.7180175.1-174.70109.2N24 K25 L26 A72 T73 Y75K20-N24 WeakPolarHBondContact CE-OD1 3.36Å; K20-N24 PolarHBondContact NZ-OD1 2.93Å; K20-K25 CarbonylContact C-O 3.57Å; K20-K25 WeakPolarHBondContact CA-O 3.38Å; K20-L26 HydrophobicContact CB-CD2 3.66Å; K20-L26 HydrophobicContact CD-CD2 4.15Å; K20-L26 HydrophobicContact CG-CD2 3.73Å; K20-A72 WeakPolarHBondContact O-CA 3.48Å; K20-A72 WeakPolarHBondContact O-CB 3.37Å; K20-T73 PolarHBondContact N-O 2.83Å; K20-T73 PolarHBondContact O-N 2.73Å; K20-Y75 HydrophobicContact CB-CD2 4.24Å; K20-Y75 HydrophobicContact CB-CE2 3.59Å; K20-Y75 HydrophobicContact CD-CE2 4.2Å
21F95.3Very high93.2Very high40 Ų4049.5 Ų49.518%0.17527%0.269CS..  trans-77.3160.2177.1-64.3-77.7000111.7R19 G23 N24 K25 E27 E69 A72R19-F21 HydrophobicContact CG-CE2 4.3Å; R19-F21 HydrophobicContact CG-CZ 4.26Å; R19-F21 VanDerWaalsContact NE-CZ 3.35Å; F21-G23 PolarHBondContact O-N 2.91Å; F21-N24 PolarHBondContact O-N 3.45Å; F21-N24 VanDerWaalsContact O-N 3.07Å; F21-K25 HydrophobicContact CB-CB 4.4Å; F21-K25 HydrophobicContact CD2-CB 4.26Å; F21-K25 HydrophobicContact CD2-CD 4.37Å; F21-K25 HydrophobicContact CD2-CG 4.32Å; F21-K25 PolarHBondContact N-O 2.77Å; F21-E27 HydrophobicContact CE2-CB 3.84Å; F21-E69 WeakPolarHBondContact CE1-O 3.35Å; F21-A72 HydrophobicContact CD1-CB 4.04Å; F21-A72 HydrophobicContact CE1-CB 4.25Å
22P90.8Very high93.4Very high106 Ų10646.6 Ų46.669%0.68825%0.251SS*.THydrogen-bonded Turntrans-48.4131.9159.2-23.934.3000109.9
23G91.8Very high93.7Very high74 Ų7444.1 Ų44.176%0.76323%0.233SC*.THydrogen-bonded Turntrans90.311.1-172.500000115.3F21 K25F21-G23 PolarHBondContact O-N 2.91Å; G23-K25 VanDerWaalsContact C-N 3.27Å; G23-K25 PolarHBondContact O-N 3.17Å
24N88.4Confident93.7Very high113 Ų11347.7 Ų47.760%0.60425%0.246SC*.SBendtrans67.711172.1-58.2-58.9000116.7K20 F21 L26K20-N24 WeakPolarHBondContact CE-OD1 3.36Å; K20-N24 PolarHBondContact NZ-OD1 2.93Å; F21-N24 PolarHBondContact O-N 3.45Å; F21-N24 VanDerWaalsContact O-N 3.07Å; N24-L26 PolarHBondContact O-N 3.02Å
25K93.4Very high93.8Very high144 Ų14448.8 Ų48.863%0.62626%0.26SS*.  trans-67.9127.7170.8-175.8-177.7177.7-1740110K20 F21 G23K20-K25 CarbonylContact C-O 3.57Å; K20-K25 WeakPolarHBondContact CA-O 3.38Å; F21-K25 HydrophobicContact CB-CB 4.4Å; F21-K25 HydrophobicContact CD2-CB 4.26Å; F21-K25 HydrophobicContact CD2-CD 4.37Å; F21-K25 HydrophobicContact CD2-CG 4.32Å; F21-K25 PolarHBondContact N-O 2.77Å; G23-K25 VanDerWaalsContact C-N 3.27Å; G23-K25 PolarHBondContact O-N 3.17Å
26L92.8Very high93.8Very high113 Ų11350.1 Ų50.159%0.59227%0.274SS*.EExtended strand (participates in β ladder)trans-98.2142.5174.4-66.7169.7000110.5I18 R19 K20 N24I18-L26 HydrophobicContact CG2-CB 4.43Å; I18-L26 HydrophobicContact CG2-CD2 4.01Å; R19-L26 CarbonylContact O-C 3.59Å; R19-L26 WeakPolarHBondContact O-CA 3.37Å; K20-L26 HydrophobicContact CB-CD2 3.66Å; K20-L26 HydrophobicContact CD-CD2 4.15Å; K20-L26 HydrophobicContact CG-CD2 3.73Å; N24-L26 PolarHBondContact O-N 3.02Å
27E94.8Very high93.9Very high43 Ų4353.4 Ų53.420%0.20130%0.298CS..EExtended strand (participates in β ladder)trans-132.8123.2170.5-177.7174.6-127.500109.9I18 R19 F21 L44I18-E27 WeakPolarHBondContact CA-O 3.49Å; R19-E27 HydrophobicContact CG-CB 4.07Å; R19-E27 IonicContact CZ-OE2 3.72Å; R19-E27 PolarHBondContact N-O 2.9Å; R19-E27 IonicContact NE-OE2 2.72Å; R19-E27 PolarHBondContact NE-OE2 3.35Å; R19-E27 IonicContact NH2-OE2 3.86Å; R19-E27 PolarHBondContact NH2-OE2 3.01Å; R19-E27 PolarHBondContact O-N 2.89Å; F21-E27 HydrophobicContact CE2-CB 3.84Å; E27-L44 HydrophobicContact CG-CD1 4.47Å
28Y94.3Very high94Very high60 Ų6056 Ų5624%0.23531%0.314CS..EExtended strand (participates in β ladder)trans-75.6129.6173.7176.8-105.6000110N16 I18 G30 Y31 Y39 N41 F85N16-Y28 HydrophobicContact CB-CE2 4.16Å; N16-Y28 PolarHBondContact OD1-OH 3.48Å; I18-Y28 HydrophobicContact CG1-CD2 4.2Å; Y28-G30 WeakPolarHBondContact OH-CA 3.4Å; Y28-G30 PolarHBondContact OH-O 2.67Å; Y28-Y31 WeakPolarHBondContact OH-CB 3.46Å; Y28-Y31 WeakPolarHBondContact OH-CD1 3.39Å; Y28-Y31 PolarHBondContact OH-N 3.13Å; Y28-Y39 AromaticContact CE1-CD1 3.92Å; Y28-Y39 HydrophobicContact CE1-CD1 3.92Å; Y28-Y39 AromaticContact CE1-CE1 3.88Å; Y28-Y39 HydrophobicContact CE1-CE1 3.88Å; Y28-N41 WeakPolarHBondContact O-CB 3.34Å; Y28-N41 PolarHBondContact O-ND2 2.72Å; Y28-F85 HydrophobicContact CD2-CZ 4.39Å; Y28-F85 HydrophobicContact CE2-CE1 4.39Å; Y28-F85 HydrophobicContact CE2-CZ 4.25Å
29M95.8Very high94Very high0 Ų060 Ų600%033%0.329CS..EExtended strand (participates in β ladder)trans-100-38.9-174.7-57.6-173.274.600112.6W17 R19 N41 L44 I48 L61 L63 Y74W17-M29 HydrophobicContact CB-CB 4.04Å; W17-M29 HydrophobicContact CB-SD 4.35Å; W17-M29 WeakPolarHBondContact O-CB 3.15Å; W17-M29 PolarHBondContact O-N 2.89Å; R19-M29 HydrophobicContact CB-SD 4.04Å; R19-M29 HydrophobicContact CG-CG 4.21Å; R19-M29 HydrophobicContact CG-SD 4.08Å; M29-N41 WeakPolarHBondContact O-CB 3.41Å; M29-N41 PolarHBondContact O-N 2.78Å; M29-L44 HydrophobicContact CB-CD1 4.15Å; M29-L44 HydrophobicContact CE-CD1 4.11Å; M29-L44 HydrophobicContact CG-CD1 3.95Å; M29-I48 HydrophobicContact CB-CD1 3.98Å; M29-I48 HydrophobicContact CE-CD1 4.26Å; M29-I48 HydrophobicContact CE-CG2 3.86Å; M29-I48 WeakPolarHBondContact O-CD1 3.4Å; M29-L61 HydrophobicContact CE-CD1 4.21Å; M29-L61 HydrophobicContact CE-CD2 3.85Å; M29-L61 HydrophobicContact SD-CD2 3.68Å; M29-L63 HydrophobicContact CE-CD2 3.75Å; M29-Y74 HydrophobicContact CE-CD1 4.4Å; M29-Y74 HydrophobicContact CE-CE1 3.79Å; M29-Y74 HydrophobicContact SD-CD1 3.69Å; M29-Y74 HydrophobicContact SD-CE1 3.61Å
30G95.6Very high94.1Very high0 Ų061.6 Ų61.60%034%0.335CS..EExtended strand (participates in β ladder)trans152.7179-175.200000112.8N16 W17 Y28 Y39N16-G30 WeakPolarHBondContact CA-O 3.34Å; W17-G30 PolarHBondContact N-O 3.13Å; Y28-G30 WeakPolarHBondContact OH-CA 3.4Å; Y28-G30 PolarHBondContact OH-O 2.67Å; G30-Y39 CarbonylContact C-O 3.47Å; G30-Y39 WeakPolarHBondContact CA-O 3.43Å
31Y95.3Very high94.1Very high48 Ų4860 Ų6019%0.18833%0.33CS..EExtended strand (participates in β ladder)trans-136.9163.2177.372.1-115.3000112.6Y14 W15 N16 Y28 T38 Y39Y14-Y31 AromaticContact CD1-CD2 3.84Å; Y14-Y31 HydrophobicContact CD1-CD2 3.84Å; Y14-Y31 AromaticContact CD1-CE2 3.77Å; Y14-Y31 HydrophobicContact CD1-CE2 3.77Å; Y14-Y31 HydrophobicContact CD1-CG 4.34Å; Y14-Y31 HydrophobicContact CE1-CE2 4.05Å; W15-Y31 CarbonylContact O-C 3.47Å; W15-Y31 WeakPolarHBondContact O-CA 3.33Å; W15-Y31 WeakPolarHBondContact O-CB 3.5Å; N16-Y31 VanDerWaalsContact OD1-CB 3.28Å; N16-Y31 WeakPolarHBondContact OD1-CB 3.39Å; Y28-Y31 WeakPolarHBondContact OH-CB 3.46Å; Y28-Y31 WeakPolarHBondContact OH-CD1 3.39Å; Y28-Y31 PolarHBondContact OH-N 3.13Å; Y31-T38 VanDerWaalsContact O-CA 3.27Å; Y31-T38 WeakPolarHBondContact O-CA 3.48Å; Y31-Y39 HydrophobicContact CD1-CG 4.47Å; Y31-Y39 HydrophobicContact CE1-CD1 4.41Å; Y31-Y39 HydrophobicContact CE1-CG 4.03Å; Y31-Y39 VanDerWaalsContact CZ-CB 3.47Å; Y31-Y39 PolarHBondContact N-O 3.48Å; Y31-Y39 PolarHBondContact O-N 2.69Å
32I95.9Very high94.1Very high6 Ų662.8 Ų62.83%0.03135%0.352CS..EExtended strand (participates in β ladder)trans-122128.1158.3-170.4162.2000109.6W15 S37 T38 I50 R52W15-I32 HydrophobicContact CB-CG2 4.11Å; W15-I32 PolarHBondContact N-O 3.47Å; W15-I32 PolarHBondContact O-N 2.83Å; I32-S37 WeakPolarHBondContact CA-O 3.37Å; I32-T38 HydrophobicContact CB-CG2 4.16Å; I32-T38 HydrophobicContact CD1-CG2 3.96Å; I32-T38 HydrophobicContact CG1-CG2 3.93Å; I32-I50 HydrophobicContact CB-CG2 3.75Å; I32-I50 HydrophobicContact CG2-CG2 3.75Å; I32-R52 HydrophobicContact CD1-CB 3.99Å; I32-R52 HydrophobicContact CD1-CG 3.78Å
33S94.2Very high94.2Very high2 Ų262.1 Ų62.11%0.01435%0.349CS..  trans-80.5169.5-179.570.20000111.8D13 S35 G36 S37 R52D13-S33 CarbonylContact O-C 3.48Å; S33-S35 PolarHBondContact O-N 2.85Å; S33-S35 PolarHBondContact OG-N 3.15Å; S33-S35 PolarHBondContact OG-OG 3.07Å; S33-G36 WeakPolarHBondContact O-CA 3.4Å; S33-G36 PolarHBondContact O-N 3.07Å; S33-G36 PolarHBondContact OG-N 2.05Å; S33-S37 PolarHBondContact N-O 3.41Å; S33-S37 WeakPolarHBondContact OG-CB 3.09Å; S33-S37 PolarHBondContact OG-N 2.93Å; S33-S37 PolarHBondContact OG-O 3.13Å; S33-R52 PolarHBondContact O-NH1 2.93Å
34Y91.5Very high94.2Very high100 Ų10058.8 Ų58.839%0.39231%0.314SS..THydrogen-bonded Turntrans-57.6-24.8169.970.7-91.1000114T11 D13 G36 R52 W81T11-Y34 VanDerWaalsContact C-CB 3.49Å; T11-Y34 WeakPolarHBondContact O-CB 3.1Å; D13-Y34 PolarHBondContact O-N 3.14Å; Y34-G36 VanDerWaalsContact C-N 3.35Å; Y34-R52 VanDerWaalsContact O-CZ 3.26Å; Y34-R52 PolarHBondContact O-NH1 3.27Å; Y34-R52 PolarHBondContact O-NH2 3.48Å; Y34-W81 HydrophobicContact CE1-CH2 4.31Å; Y34-W81 HydrophobicContact CE1-CZ2 4.07Å
35S92.8Very high94.4Very high69 Ų6960.1 Ų60.148%0.48331%0.314SS..THydrogen-bonded Turntrans-84.7-8.8173.560.40000113.3S33 S37 R52S33-S35 PolarHBondContact O-N 2.85Å; S33-S35 PolarHBondContact OG-N 3.15Å; S33-S35 PolarHBondContact OG-OG 3.07Å; S35-S37 PolarHBondContact OG-OG 2.78Å; S35-S37 VanDerWaalsContact OG-OG 3.13Å; S35-R52 VanDerWaalsContact C-NH2 3.29Å
36G94.3Very high94.4Very high30 Ų3058.4 Ų58.431%0.30932%0.321SS..SBendtrans893.3-175.700000113.7S33 Y34S33-G36 WeakPolarHBondContact O-CA 3.4Å; S33-G36 PolarHBondContact O-N 3.07Å; S33-G36 PolarHBondContact OG-N 2.05Å; Y34-G36 VanDerWaalsContact C-N 3.35Å
37S95.1Very high94.5Very high71 Ų7155.8 Ų55.850%0.49730%0.303SS..  trans-69.8132.5174-54.30000110.2I32 S33 S35I32-S37 WeakPolarHBondContact CA-O 3.37Å; S33-S37 PolarHBondContact N-O 3.41Å; S33-S37 WeakPolarHBondContact OG-CB 3.09Å; S33-S37 PolarHBondContact OG-N 2.93Å; S33-S37 PolarHBondContact OG-O 3.13Å; S35-S37 PolarHBondContact OG-OG 2.78Å; S35-S37 VanDerWaalsContact OG-OG 3.13Å
38T96.6Very high94.5Very high59 Ų5954.1 Ų54.136%0.36230%0.295SS..EExtended strand (participates in β ladder)trans-108.7140.7-177.955.60000111.9Y31 I32 Y40Y31-T38 VanDerWaalsContact O-CA 3.27Å; Y31-T38 WeakPolarHBondContact O-CA 3.48Å; I32-T38 HydrophobicContact CB-CG2 4.16Å; I32-T38 HydrophobicContact CD1-CG2 3.96Å; I32-T38 HydrophobicContact CG1-CG2 3.93Å; T38-Y40 VanDerWaalsContact OG1-CE2 3.31Å; T38-Y40 WeakPolarHBondContact OG1-CE2 3.02Å
39Y95.6Very high94.6Very high108 Ų10852.9 Ų52.942%0.42430%0.295SS..EExtended strand (participates in β ladder)trans-117.6141.3164.3176.1-90.2000109.4Y28 G30 Y31Y28-Y39 AromaticContact CE1-CD1 3.92Å; Y28-Y39 HydrophobicContact CE1-CD1 3.92Å; Y28-Y39 AromaticContact CE1-CE1 3.88Å; Y28-Y39 HydrophobicContact CE1-CE1 3.88Å; G30-Y39 CarbonylContact C-O 3.47Å; G30-Y39 WeakPolarHBondContact CA-O 3.43Å; Y31-Y39 HydrophobicContact CD1-CG 4.47Å; Y31-Y39 HydrophobicContact CE1-CD1 4.41Å; Y31-Y39 HydrophobicContact CE1-CG 4.03Å; Y31-Y39 VanDerWaalsContact CZ-CB 3.47Å; Y31-Y39 PolarHBondContact N-O 3.48Å; Y31-Y39 PolarHBondContact O-N 2.69Å
40Y96.6Very high94.7Very high45 Ų4553 Ų5318%0.17630%0.296CS..EExtended strand (participates in β ladder)trans-123.3140.5178.4-60.3-79.6000109.7T38 K45 I48 I50T38-Y40 VanDerWaalsContact OG1-CE2 3.31Å; T38-Y40 WeakPolarHBondContact OG1-CE2 3.02Å; Y40-K45 HydrophobicContact CD2-CG 4.32Å; Y40-K45 HydrophobicContact CG-CG 4.28Å; Y40-I48 HydrophobicContact CD1-CD1 3.91Å; Y40-I48 HydrophobicContact CD1-CG1 3.64Å; Y40-I48 HydrophobicContact CE1-CG1 4.07Å; Y40-I50 HydrophobicContact CD1-CD1 4.29Å; Y40-I50 HydrophobicContact CE1-CB 4.22Å; Y40-I50 HydrophobicContact CE1-CD1 4.13Å; Y40-I50 HydrophobicContact CE1-CG1 3.92Å; Y40-I50 PolarHBondContact OH-N 3.32Å
41N95.1Very high94.8Very high30 Ų3056.2 Ų56.216%0.1632%0.315CS..  trans-57.9125.8163.9-178.3-30.8000108.7Y28 M29 S43 L44 K45Y28-N41 WeakPolarHBondContact O-CB 3.34Å; Y28-N41 PolarHBondContact O-ND2 2.72Å; M29-N41 WeakPolarHBondContact O-CB 3.41Å; M29-N41 PolarHBondContact O-N 2.78Å; N41-S43 PolarHBondContact O-N 2.84Å; N41-S43 VanDerWaalsContact O-N 3.11Å; N41-S43 PolarHBondContact OD1-N 2.93Å; N41-L44 HydrophobicContact CB-CB 4.41Å; N41-L44 HydrophobicContact CB-CD1 4.33Å; N41-L44 HydrophobicContact CB-CG 4.49Å; N41-L44 PolarHBondContact O-N 2.76Å; N41-K45 PolarHBondContact O-N 3.3Å
42P95.2Very high94.8Very high98 Ų9857.3 Ų57.364%0.63632%0.319SS*.THydrogen-bonded Turntrans-50.3-38-177.9-29.835.8000114.1L44P42-L44 PolarHBondContact O-N 2.99Å
43S92.3Very high94.8Very high92 Ų9258.8 Ų58.864%0.64333%0.327SS*.THydrogen-bonded Turntrans-69.4-18.2-180-58.10000113.9N41N41-S43 PolarHBondContact O-N 2.84Å; N41-S43 VanDerWaalsContact O-N 3.11Å; N41-S43 PolarHBondContact OD1-N 2.93Å
44L93.3Very high94.9Very high4 Ų462.5 Ų62.52%0.02135%0.35CS..THydrogen-bonded Turntrans-114.7-9.4-175.9-61.4175.6000113.1E27 M29 N41 P42 S46 R47 I48E27-L44 HydrophobicContact CG-CD1 4.47Å; M29-L44 HydrophobicContact CB-CD1 4.15Å; M29-L44 HydrophobicContact CE-CD1 4.11Å; M29-L44 HydrophobicContact CG-CD1 3.95Å; N41-L44 HydrophobicContact CB-CB 4.41Å; N41-L44 HydrophobicContact CB-CD1 4.33Å; N41-L44 HydrophobicContact CB-CG 4.49Å; N41-L44 PolarHBondContact O-N 2.76Å; P42-L44 PolarHBondContact O-N 2.99Å; L44-S46 PolarHBondContact O-N 2.91Å; L44-S46 VanDerWaalsContact O-N 3.07Å; L44-R47 PolarHBondContact O-N 2.91Å; L44-I48 HydrophobicContact CB-CD1 3.95Å; L44-I48 HydrophobicContact CB-CG1 4.29Å; L44-I48 HydrophobicContact CB-CG2 4.22Å; L44-I48 PolarHBondContact O-N 2.74Å; L44-I48 VanDerWaalsContact O-N 3.1Å
45K92.2Very high95.1Very high141 Ų14162.6 Ų62.661%0.61337%0.365SS*.THydrogen-bonded Turntrans-54.1-32.9-171-173.8175.8-178.5-177.80114.5Y40 N41Y40-K45 HydrophobicContact CD2-CG 4.32Å; Y40-K45 HydrophobicContact CG-CG 4.28Å; N41-K45 PolarHBondContact O-N 3.3Å
46S93.4Very high95.2Very high108 Ų10865.1 Ų65.176%0.75537%0.367SS*.THydrogen-bonded Turntrans-81.7-16.817857.70000113.9L44L44-S46 PolarHBondContact O-N 2.91Å; L44-S46 VanDerWaalsContact O-N 3.07Å
47R94.3Very high95.3Very high57 Ų5765.3 Ų65.322%0.21536%0.361CS..THydrogen-bonded Turntrans-110.1-9.8-171.3-53.9-160.9-55.9123.3-0.4113.5L44 N64 D70L44-R47 PolarHBondContact O-N 2.91Å; R47-N64 PolarHBondContact O-N 3.17Å; R47-D70 IonicContact CZ-OD1 3.56Å; R47-D70 IonicContact CZ-OD2 2.76Å; R47-D70 VanDerWaalsContact NH1-CG 3.33Å; R47-D70 IonicContact NH1-OD1 3.88Å; R47-D70 PolarHBondContact NH1-OD1 2.76Å; R47-D70 VanDerWaalsContact NH1-OD1 3.13Å; R47-D70 IonicContact NH1-OD2 3.85Å; R47-D70 PolarHBondContact NH1-OD2 2.91Å; R47-D70 IonicContact NH2-OD1 2.78Å; R47-D70 PolarHBondContact NH2-OD1 3.33Å; R47-D70 IonicContact NH2-OD2 3.13Å
48I95.7Very high95.3Very high9 Ų963.9 Ų63.95%0.04635%0.347CS..EExtended strand (participates in β ladder)trans-128149.8-17776.7176.7000112.1M29 Y40 L44 L61 Q62 L63M29-I48 HydrophobicContact CB-CD1 3.98Å; M29-I48 HydrophobicContact CE-CD1 4.26Å; M29-I48 HydrophobicContact CE-CG2 3.86Å; M29-I48 WeakPolarHBondContact O-CD1 3.4Å; Y40-I48 HydrophobicContact CD1-CD1 3.91Å; Y40-I48 HydrophobicContact CD1-CG1 3.64Å; Y40-I48 HydrophobicContact CE1-CG1 4.07Å; L44-I48 HydrophobicContact CB-CD1 3.95Å; L44-I48 HydrophobicContact CB-CG1 4.29Å; L44-I48 HydrophobicContact CB-CG2 4.22Å; L44-I48 PolarHBondContact O-N 2.74Å; L44-I48 VanDerWaalsContact O-N 3.1Å; I48-L61 HydrophobicContact CB-CD1 3.92Å; I48-L61 HydrophobicContact CD1-CD1 4.3Å; I48-L61 HydrophobicContact CG2-CD1 4.37Å; I48-Q62 VanDerWaalsContact CA-O 3.26Å; I48-Q62 WeakPolarHBondContact CA-O 3.41Å; I48-L63 HydrophobicContact CG2-CD2 3.7Å
49S96.8Very high95.3Very high33 Ų3361.1 Ų61.123%0.23133%0.33CS..EExtended strand (participates in β ladder)trans-131.9133.3169.6178.90000109.1L61 Q62S49-L61 WeakPolarHBondContact O-CA 3.38Å; S49-Q62 PolarHBondContact N-O 2.83Å; S49-Q62 PolarHBondContact O-N 3.44Å
50I97.3Very high95.3Very high4 Ų458.2 Ų58.22%0.02132%0.318CS..EExtended strand (participates in β ladder)trans-114.5124.5178-57.7170.2000107.9I32 Y40 Y60 L61I32-I50 HydrophobicContact CB-CG2 3.75Å; I32-I50 HydrophobicContact CG2-CG2 3.75Å; Y40-I50 HydrophobicContact CD1-CD1 4.29Å; Y40-I50 HydrophobicContact CE1-CB 4.22Å; Y40-I50 HydrophobicContact CE1-CD1 4.13Å; Y40-I50 HydrophobicContact CE1-CG1 3.92Å; Y40-I50 PolarHBondContact OH-N 3.32Å; I50-Y60 VanDerWaalsContact CA-O 3.32Å; I50-Y60 WeakPolarHBondContact CA-O 3.14Å; I50-L61 HydrophobicContact CG1-CD1 4.1Å
51T97Very high95.3Very high66 Ų6656.1 Ų56.141%0.40531%0.31SS..EExtended strand (participates in β ladder)trans-134.7169.6-177.964.50000111Y59 Y60T51-Y59 CarbonylContact O-C 3.56Å; T51-Y59 WeakPolarHBondContact O-CA 3.45Å; T51-Y59 WeakPolarHBondContact O-CB 3.04Å; T51-Y60 PolarHBondContact N-O 2.71Å; T51-Y60 PolarHBondContact O-N 2.86Å
52R96.1Very high95.4Very high72 Ų7260.1 Ų60.127%0.27233%0.328SS..EExtended strand (participates in β ladder)trans-142.3153.2178.269.6-179.7-174.7171.43.7112.8I10 I32 S33 Y34 S35 Q58I10-R52 HydrophobicContact CD1-CB 3.98Å; I32-R52 HydrophobicContact CD1-CB 3.99Å; I32-R52 HydrophobicContact CD1-CG 3.78Å; S33-R52 PolarHBondContact O-NH1 2.93Å; Y34-R52 VanDerWaalsContact O-CZ 3.26Å; Y34-R52 PolarHBondContact O-NH1 3.27Å; Y34-R52 PolarHBondContact O-NH2 3.48Å; S35-R52 VanDerWaalsContact C-NH2 3.29Å; R52-Q58 WeakPolarHBondContact CA-O 3.28Å
53D96.2Very high95.4Very high37 Ų3757.1 Ų57.120%0.19831%0.307CS..EExtended strand (participates in β ladder)trans-127.2102.2169.8-175.2-16.8000108.3S55 K56 N57 Q58 Y60D53-S55 VanDerWaalsContact C-N 3.26Å; D53-S55 PolarHBondContact O-N 3.12Å; D53-S55 WeakPolarHBondContact OD1-CB 3.3Å; D53-S55 PolarHBondContact OD1-N 3.49Å; D53-S55 PolarHBondContact OD1-OG 3.44Å; D53-K56 HydrophobicContact CB-CB 4.4Å; D53-K56 PolarHBondContact O-N 3.27Å; D53-K56 PolarHBondContact OD1-N 2.88Å; D53-K56 VanDerWaalsContact OD2-CD 3.29Å; D53-K56 WeakPolarHBondContact OD2-CD 3.23Å; D53-K56 VanDerWaalsContact OD2-CE 3.29Å; D53-K56 WeakPolarHBondContact OD2-CE 3.45Å; D53-K56 IonicContact OD2-NZ 2.78Å; D53-K56 PolarHBondContact OD2-NZ 2.85Å; D53-N57 PolarHBondContact O-N 3.1Å; D53-N57 VanDerWaalsContact O-N 3.1Å; D53-Q58 PolarHBondContact N-O 3.2Å; D53-Q58 PolarHBondContact O-N 3.29Å; D53-Q58 VanDerWaalsContact O-N 3.08Å; D53-Y60 HydrophobicContact CB-CE2 3.72Å
54T95.1Very high95.4Very high79 Ų7955.7 Ų55.749%0.48529%0.292SS..THydrogen-bonded Turntrans-69.7-25.1-178.754.30000112.4I10 T11 K56 N57I10-T54 HydrophobicContact CD1-CG2 4.12Å; I10-T54 HydrophobicContact CG1-CG2 4.28Å; T11-T54 HydrophobicContact CG2-CG2 3.53Å; T54-K56 PolarHBondContact O-N 3.1Å; T54-N57 PolarHBondContact O-N 3Å
55S95.5Very high95.1Very high102 Ų10260.5 Ų60.571%0.71333%0.326SS*.THydrogen-bonded Turntrans-68.8-27.4176.775.60000112.2D53D53-S55 VanDerWaalsContact C-N 3.26Å; D53-S55 PolarHBondContact O-N 3.12Å; D53-S55 WeakPolarHBondContact OD1-CB 3.3Å; D53-S55 PolarHBondContact OD1-N 3.49Å; D53-S55 PolarHBondContact OD1-OG 3.44Å
56K96.3Very high95Very high122 Ų12256.8 Ų56.853%0.5332%0.315SS..THydrogen-bonded Turntrans-103.8-2.5179.3-62.9-177.7-168.8126.50113.8D53 T54 Q58D53-K56 HydrophobicContact CB-CB 4.4Å; D53-K56 PolarHBondContact O-N 3.27Å; D53-K56 PolarHBondContact OD1-N 2.88Å; D53-K56 VanDerWaalsContact OD2-CD 3.29Å; D53-K56 WeakPolarHBondContact OD2-CD 3.23Å; D53-K56 VanDerWaalsContact OD2-CE 3.29Å; D53-K56 WeakPolarHBondContact OD2-CE 3.45Å; D53-K56 IonicContact OD2-NZ 2.78Å; D53-K56 PolarHBondContact OD2-NZ 2.85Å; T54-K56 PolarHBondContact O-N 3.1Å; K56-Q58 HydrophobicContact CB-CB 4.2Å; K56-Q58 HydrophobicContact CB-CG 4.14Å; K56-Q58 PolarHBondContact O-N 3.07Å
57N95.1Very high95Very high35 Ų3554.5 Ų54.519%0.18730%0.296CS..THydrogen-bonded Turntrans53.642.1-172.9-15740.5000112.8V5 Y8 S9 I10 D53 T54V5-N57 PolarHBondContact N-O 3.34Å; V5-N57 PolarHBondContact O-ND2 3.41Å; Y8-N57 PolarHBondContact O-ND2 2.89Å; S9-N57 WeakPolarHBondContact CA-OD1 3.45Å; I10-N57 WeakPolarHBondContact CG2-OD1 3.44Å; I10-N57 PolarHBondContact N-OD1 3.11Å; D53-N57 PolarHBondContact O-N 3.1Å; D53-N57 VanDerWaalsContact O-N 3.1Å; T54-N57 PolarHBondContact O-N 3Å
58Q95.8Very high94.9Very high41 Ų4155.6 Ų55.619%0.19231%0.309CS..EExtended strand (participates in β ladder)trans-125.2149.6-175.1-79172.8-4.900112T2 C3 S4 I10 R52 D53 K56 Y60T2-Q58 HydrophobicContact CG2-CG 4.26Å; C3-Q58 WeakPolarHBondContact O-CA 3.46Å; S4-Q58 WeakPolarHBondContact OG-CG 3.28Å; S4-Q58 PolarHBondContact OG-NE2 3.07Å; I10-Q58 WeakPolarHBondContact CD1-O 3.36Å; R52-Q58 WeakPolarHBondContact CA-O 3.28Å; D53-Q58 PolarHBondContact N-O 3.2Å; D53-Q58 PolarHBondContact O-N 3.29Å; D53-Q58 VanDerWaalsContact O-N 3.08Å; K56-Q58 HydrophobicContact CB-CB 4.2Å; K56-Q58 HydrophobicContact CB-CG 4.14Å; K56-Q58 PolarHBondContact O-N 3.07Å; Q58-Y60 HydrophobicContact CB-CE1 4.07Å; Q58-Y60 HydrophobicContact CB-CE2 4.26Å; Q58-Y60 WeakPolarHBondContact CB-OH 3.48Å; Q58-Y60 PolarHBondContact OE1-OH 3.04Å
59Y95.6Very high94.6Very high0 Ų062.3 Ų62.30%034%0.34CS..EExtended strand (participates in β ladder)trans-133.8154.4166.967-77.3000110.9C3 V5 I10 W15 W17 T51 C76 A77C3-Y59 HydrophobicContact CB-CD1 3.95Å; C3-Y59 HydrophobicContact CB-CD2 4.39Å; C3-Y59 HydrophobicContact CB-CE1 3.54Å; C3-Y59 HydrophobicContact CB-CE2 4.01Å; C3-Y59 HydrophobicContact CB-CG 4.37Å; C3-Y59 PolarHBondContact N-O 3.37Å; C3-Y59 PolarHBondContact O-N 2.8Å; C3-Y59 WeakPolarHBondContact SG-CE1 3.44Å; C3-Y59 PolarHBondContact SG-OH 3.27Å; C3-Y59 VanDerWaalsContact SG-OH 3.37Å; V5-Y59 HydrophobicContact CG2-CD1 4.18Å; V5-Y59 HydrophobicContact CG2-CE1 3.78Å; I10-Y59 HydrophobicContact CG2-CD1 4.22Å; W15-Y59 HydrophobicContact CB-CD1 4.1Å; W15-Y59 HydrophobicContact CB-CD2 3.96Å; W15-Y59 HydrophobicContact CB-CE1 3.93Å; W15-Y59 HydrophobicContact CB-CE2 3.8Å; W15-Y59 HydrophobicContact CB-CG 4.09Å; W15-Y59 HydrophobicContact CD2-CD1 4.45Å; W15-Y59 HydrophobicContact CD2-CE1 4.01Å; W15-Y59 HydrophobicContact CE3-CD1 4.48Å; W15-Y59 AromaticContact CE3-CE1 3.65Å; W15-Y59 HydrophobicContact CE3-CE1 3.65Å; W15-Y59 AromaticContact CE3-CZ 3.98Å; W15-Y59 HydrophobicContact CG-CD1 4.27Å; W15-Y59 HydrophobicContact CG-CE1 4.14Å; W15-Y59 HydrophobicContact CZ3-CE1 4.5Å; W17-Y59 HydrophobicContact CD2-CE2 4.48Å; W17-Y59 AromaticContact CE2-CD2 3.91Å; W17-Y59 AromaticContact CE2-CE2 3.74Å; W17-Y59 HydrophobicContact CZ2-CD2 4.17Å; W17-Y59 HydrophobicContact CZ2-CE2 4.07Å; W17-Y59 AromaticContact NE1-CD2 3.33Å; W17-Y59 VanDerWaalsContact NE1-CD2 3.33Å; W17-Y59 AromaticContact NE1-CE2 3.44Å; T51-Y59 CarbonylContact O-C 3.56Å; T51-Y59 WeakPolarHBondContact O-CA 3.45Å; T51-Y59 WeakPolarHBondContact O-CB 3.04Å; Y59-C76 HydrophobicContact CE2-CB 4.04Å; Y59-C76 WeakPolarHBondContact OH-CB 3.32Å; Y59-A77 PolarHBondContact OH-N 3.05Å
60Y96.7Very high94.4Very high48 Ų4860.8 Ų60.819%0.18833%0.329CS..EExtended strand (participates in β ladder)trans-130.3146.9-164.5-46.5-82.7000110.8L1 T2 I50 T51 D53 Q58L1-Y60 CarbonylContact O-C 3.52Å; L1-Y60 VanDerWaalsContact O-CA 3.23Å; L1-Y60 WeakPolarHBondContact O-CA 2.84Å; T2-Y60 HydrophobicContact CG2-CD1 3.83Å; T2-Y60 HydrophobicContact CG2-CE1 3.55Å; T2-Y60 WeakPolarHBondContact OG1-CD1 3.42Å; I50-Y60 VanDerWaalsContact CA-O 3.32Å; I50-Y60 WeakPolarHBondContact CA-O 3.14Å; T51-Y60 PolarHBondContact N-O 2.71Å; T51-Y60 PolarHBondContact O-N 2.86Å; D53-Y60 HydrophobicContact CB-CE2 3.72Å; Q58-Y60 HydrophobicContact CB-CE1 4.07Å; Q58-Y60 HydrophobicContact CB-CE2 4.26Å; Q58-Y60 WeakPolarHBondContact CB-OH 3.48Å; Q58-Y60 PolarHBondContact OE1-OH 3.04Å
61L97.2Very high94.3Very high1 Ų162.2 Ų62.21%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-119.9117.7167.616968.4000108.1L1 W17 M29 I48 S49 I50 L63 Y74L1-L61 HydrophobicContact CB-CB 4.25Å; L1-L61 HydrophobicContact CD1-CD2 4Å; L1-L61 PolarHBondContact N-O 2.89Å; L1-L61 PolarHBondContact O-N 2.9Å; W17-L61 HydrophobicContact CB-CD2 4.15Å; W17-L61 HydrophobicContact CD2-CB 3.6Å; W17-L61 HydrophobicContact CD2-CD2 3.77Å; W17-L61 HydrophobicContact CD2-CG 4.28Å; W17-L61 HydrophobicContact CE3-CB 4.17Å; W17-L61 HydrophobicContact CE3-CD2 3.79Å; W17-L61 HydrophobicContact CG-CB 3.92Å; W17-L61 HydrophobicContact CG-CD2 3.94Å; W17-L61 HydrophobicContact CG-CG 4.37Å; W17-L61 HydrophobicContact CH2-CB 4.34Å; W17-L61 HydrophobicContact CZ2-CB 3.8Å; W17-L61 HydrophobicContact CZ3-CD2 4.46Å; M29-L61 HydrophobicContact CE-CD1 4.21Å; M29-L61 HydrophobicContact CE-CD2 3.85Å; M29-L61 HydrophobicContact SD-CD2 3.68Å; I48-L61 HydrophobicContact CB-CD1 3.92Å; I48-L61 HydrophobicContact CD1-CD1 4.3Å; I48-L61 HydrophobicContact CG2-CD1 4.37Å; S49-L61 WeakPolarHBondContact O-CA 3.38Å; I50-L61 HydrophobicContact CG1-CD1 4.1Å; L61-L63 HydrophobicContact CD1-CD2 4.28Å; L61-L63 HydrophobicContact CD2-CD2 4.19Å; L61-L63 HydrophobicContact CG-CD2 4.16Å; L61-L63 HydrophobicContact CG-CG 4.49Å; L61-Y74 HydrophobicContact CD2-CD1 3.74Å; L61-Y74 HydrophobicContact CD2-CE1 4.11Å
62Q96.4Very high94.3Very high113 Ų11359.2 Ų59.253%0.52832%0.32SS..EExtended strand (participates in β ladder)trans-98.2129.8170.2-175.9173.510.700108.8I48 S49I48-Q62 VanDerWaalsContact CA-O 3.26Å; I48-Q62 WeakPolarHBondContact CA-O 3.41Å; S49-Q62 PolarHBondContact N-O 2.83Å; S49-Q62 PolarHBondContact O-N 3.44Å
63L94.3Very high94.3Very high36 Ų3657.1 Ų57.119%0.18832%0.316CS..EExtended strand (participates in β ladder)trans-104.6127172.7-59173.2000107.7M29 I48 L61 V66 Y74M29-L63 HydrophobicContact CE-CD2 3.75Å; I48-L63 HydrophobicContact CG2-CD2 3.7Å; L61-L63 HydrophobicContact CD1-CD2 4.28Å; L61-L63 HydrophobicContact CD2-CD2 4.19Å; L61-L63 HydrophobicContact CG-CD2 4.16Å; L61-L63 HydrophobicContact CG-CG 4.49Å; L63-V66 HydrophobicContact CB-CG2 3.88Å; L63-Y74 HydrophobicContact CD1-CE1 3.83Å; L63-Y74 HydrophobicContact CD1-CE2 4.45Å; L63-Y74 WeakPolarHBondContact CD1-OH 3.32Å; L63-Y74 HydrophobicContact CD2-CE1 4.14Å
64N92.3Very high94.3Very high62 Ų6255.5 Ų55.533%0.33231%0.307SS..  trans-109.5142.4177.3-60.2-38.1000108.9R47R47-N64 PolarHBondContact O-N 3.17Å
65S87.6Confident94.3Very high105 Ų10554.2 Ų54.273%0.73429%0.293SS*.SBendtrans52.759.3178.6-53.90000112.3
66V90.9Very high94.2Very high63 Ų6350 Ų5038%0.38226%0.264SS..  trans-72.7133.8-174.9-162.60000110.4L63 D70 V96L63-V66 HydrophobicContact CB-CG2 3.88Å; V66-D70 WeakPolarHBondContact CA-OD2 3.37Å; V66-D70 HydrophobicContact CG1-CB 3.66Å; V66-V96 HydrophobicContact CG1-CB 4.47Å; V66-V96 HydrophobicContact CG1-CG1 4.25Å; V66-V96 HydrophobicContact CG1-CG2 3.49Å; V66-V96 VanDerWaalsContact CG1-CG2 3.49Å
67T92.5Very high94Very high59 Ų5944.1 Ų44.136%0.36224%0.238SC..  trans-119171.9176.7680000111.3E69 D70 V96T67-E69 PolarHBondContact O-N 2.98Å; T67-E69 VanDerWaalsContact O-N 3.17Å; T67-E69 PolarHBondContact OG1-N 2.93Å; T67-D70 PolarHBondContact N-OD2 3.06Å; T67-D70 WeakPolarHBondContact O-CB 3.34Å; T67-D70 PolarHBondContact O-N 2.75Å; T67-V96 WeakPolarHBondContact O-CB 3.29Å; T67-V96 WeakPolarHBondContact O-CG1 3.37Å
68T92.4Very high93.8Very high80 Ų8044.1 Ų44.149%0.49124%0.235SC..G310 helixtrans-56.5-29.4175.251.20000112.4D70 T71T68-D70 PolarHBondContact O-N 2.94Å; T68-T71 WeakPolarHBondContact O-CB 3.33Å; T68-T71 PolarHBondContact O-N 2.92Å; T68-T71 VanDerWaalsContact O-N 3.14Å; T68-T71 PolarHBondContact O-OG1 2.86Å; T68-T71 VanDerWaalsContact O-OG1 3.05Å
69E90Very high93.2Very high150 Ų15042.3 Ų42.370%0.70123%0.228SC*.G310 helixtrans-65.5-17.3175.2-59.2177.1174.800113.4F21 T67 T71F21-E69 WeakPolarHBondContact CE1-O 3.35Å; T67-E69 PolarHBondContact O-N 2.98Å; T67-E69 VanDerWaalsContact O-N 3.17Å; T67-E69 PolarHBondContact OG1-N 2.93Å; E69-T71 VanDerWaalsContact C-N 3.26Å
70D92.6Very high92.1Very high1 Ų145.1 Ų45.11%0.00524%0.243CC..G310 helixtrans-85.42.1175.9-62.1-50.5000112.9R19 R47 V66 T67 T68 A72 Y74R19-D70 IonicContact CZ-OD1 3.07Å; R19-D70 IonicContact NH1-OD1 2.69Å; R19-D70 PolarHBondContact NH1-OD1 2.99Å; R19-D70 IonicContact NH2-OD1 2.67Å; R47-D70 IonicContact CZ-OD1 3.56Å; R47-D70 IonicContact CZ-OD2 2.76Å; R47-D70 VanDerWaalsContact NH1-CG 3.33Å; R47-D70 IonicContact NH1-OD1 3.88Å; R47-D70 PolarHBondContact NH1-OD1 2.76Å; R47-D70 VanDerWaalsContact NH1-OD1 3.13Å; R47-D70 IonicContact NH1-OD2 3.85Å; R47-D70 PolarHBondContact NH1-OD2 2.91Å; R47-D70 IonicContact NH2-OD1 2.78Å; R47-D70 PolarHBondContact NH2-OD1 3.33Å; R47-D70 IonicContact NH2-OD2 3.13Å; V66-D70 WeakPolarHBondContact CA-OD2 3.37Å; V66-D70 HydrophobicContact CG1-CB 3.66Å; T67-D70 PolarHBondContact N-OD2 3.06Å; T67-D70 WeakPolarHBondContact O-CB 3.34Å; T67-D70 PolarHBondContact O-N 2.75Å; T68-D70 PolarHBondContact O-N 2.94Å; D70-A72 PolarHBondContact O-N 2.72Å; D70-Y74 PolarHBondContact O-OH 3.08Å
71T95.1Very high90.4Very high35 Ų3550.8 Ų50.822%0.21526%0.264CS..  trans-63.8107.7173.7-64.60000110.6T68 E69 V94 T95 V96T68-T71 WeakPolarHBondContact O-CB 3.33Å; T68-T71 PolarHBondContact O-N 2.92Å; T68-T71 VanDerWaalsContact O-N 3.14Å; T68-T71 PolarHBondContact O-OG1 2.86Å; T68-T71 VanDerWaalsContact O-OG1 3.05Å; E69-T71 VanDerWaalsContact C-N 3.26Å; T71-V94 WeakPolarHBondContact CA-O 3.29Å; T71-T95 HydrophobicContact CG2-CG2 4.28Å; T71-V96 PolarHBondContact OG1-N 2.57Å; T71-V96 PolarHBondContact OG1-O 2.94Å
72A96.2Very high88.9Confident2 Ų257.2 Ų57.22%0.01730%0.298CS..EExtended strand (participates in β ladder)trans-161.3167.1-175.700000111.2R19 K20 F21 D70 Y74 V94R19-A72 HydrophobicContact CB-CB 3.99Å; R19-A72 HydrophobicContact CG-CB 4.42Å; K20-A72 WeakPolarHBondContact O-CA 3.48Å; K20-A72 WeakPolarHBondContact O-CB 3.37Å; F21-A72 HydrophobicContact CD1-CB 4.04Å; F21-A72 HydrophobicContact CE1-CB 4.25Å; D70-A72 PolarHBondContact O-N 2.72Å; A72-Y74 HydrophobicContact CB-CD2 4.39Å; A72-Y74 HydrophobicContact CB-CE2 3.89Å; A72-Y74 WeakPolarHBondContact O-CD2 3.5Å; A72-V94 PolarHBondContact N-O 3.43Å; A72-V94 VanDerWaalsContact N-O 3.13Å; A72-V94 PolarHBondContact O-N 3Å
73T96.3Very high87.4Confident29 Ų2960.1 Ų60.118%0.17831%0.305CS..EExtended strand (participates in β ladder)trans-93.1123.5164.5-54.40000109.6R19 K20 Y75 T92 T93R19-T73 CarbonylContact C-O 3.57Å; R19-T73 WeakPolarHBondContact CA-O 3.23Å; K20-T73 PolarHBondContact N-O 2.83Å; K20-T73 PolarHBondContact O-N 2.73Å; T73-Y75 HydrophobicContact CG2-CD2 4.31Å; T73-Y75 HydrophobicContact CG2-CE1 4.2Å; T73-Y75 HydrophobicContact CG2-CE2 3.49Å; T73-Y75 VanDerWaalsContact CG2-CE2 3.49Å; T73-Y75 VanDerWaalsContact CG2-CZ 3.44Å; T73-Y75 WeakPolarHBondContact CG2-OH 3.43Å; T73-Y75 WeakPolarHBondContact O-CD2 3.36Å; T73-Y75 WeakPolarHBondContact O-CE2 3.13Å; T73-T92 WeakPolarHBondContact CA-O 3.43Å; T73-T93 PolarHBondContact OG1-OG1 2.73Å
74Y96Very high86.2Confident2 Ų266.2 Ų66.21%0.00833%0.326CS..EExtended strand (participates in β ladder)trans-100123.8-175.7-70.2-102.5000110.1L1 R19 M29 L61 L63 D70 A72 G91 T92 V94L1-Y74 HydrophobicContact CD1-CD1 3.61Å; L1-Y74 HydrophobicContact CD1-CD2 4.03Å; L1-Y74 HydrophobicContact CD1-CE1 4.29Å; L1-Y74 HydrophobicContact CD1-CG 3.44Å; L1-Y74 VanDerWaalsContact CD1-CG 3.44Å; R19-Y74 HydrophobicContact CB-CD1 3.88Å; R19-Y74 HydrophobicContact CB-CE1 3.93Å; R19-Y74 HydrophobicContact CB-CG 4.26Å; R19-Y74 PolarHBondContact NH1-OH 2.84Å; M29-Y74 HydrophobicContact CE-CD1 4.4Å; M29-Y74 HydrophobicContact CE-CE1 3.79Å; M29-Y74 HydrophobicContact SD-CD1 3.69Å; M29-Y74 HydrophobicContact SD-CE1 3.61Å; L61-Y74 HydrophobicContact CD2-CD1 3.74Å; L61-Y74 HydrophobicContact CD2-CE1 4.11Å; L63-Y74 HydrophobicContact CD1-CE1 3.83Å; L63-Y74 HydrophobicContact CD1-CE2 4.45Å; L63-Y74 WeakPolarHBondContact CD1-OH 3.32Å; L63-Y74 HydrophobicContact CD2-CE1 4.14Å; D70-Y74 PolarHBondContact O-OH 3.08Å; A72-Y74 HydrophobicContact CB-CD2 4.39Å; A72-Y74 HydrophobicContact CB-CE2 3.89Å; A72-Y74 WeakPolarHBondContact O-CD2 3.5Å; Y74-G91 CarbonylContact O-C 3.58Å; Y74-G91 WeakPolarHBondContact O-CA 3.5Å; Y74-T92 PolarHBondContact N-O 3.38Å; Y74-T92 PolarHBondContact O-N 3.41Å; Y74-V94 HydrophobicContact CD2-CB 4Å; Y74-V94 HydrophobicContact CD2-CG2 3.73Å; Y74-V94 HydrophobicContact CE2-CB 3.8Å; Y74-V94 HydrophobicContact CE2-CG2 3.96Å
75Y95Very high85.4Confident52 Ų5266.7 Ų66.720%0.20433%0.326CS..EExtended strand (participates in β ladder)trans-112.2143.8-178.1-61.9-92.4000110.1W17 I18 K20 T73 V87 T90W17-Y75 WeakPolarHBondContact CA-O 3.26Å; I18-Y75 PolarHBondContact N-O 2.93Å; I18-Y75 PolarHBondContact O-N 2.81Å; K20-Y75 HydrophobicContact CB-CD2 4.24Å; K20-Y75 HydrophobicContact CB-CE2 3.59Å; K20-Y75 HydrophobicContact CD-CE2 4.2Å; T73-Y75 HydrophobicContact CG2-CD2 4.31Å; T73-Y75 HydrophobicContact CG2-CE1 4.2Å; T73-Y75 HydrophobicContact CG2-CE2 3.49Å; T73-Y75 VanDerWaalsContact CG2-CE2 3.49Å; T73-Y75 VanDerWaalsContact CG2-CZ 3.44Å; T73-Y75 WeakPolarHBondContact CG2-OH 3.43Å; T73-Y75 WeakPolarHBondContact O-CD2 3.36Å; T73-Y75 WeakPolarHBondContact O-CE2 3.13Å; Y75-V87 HydrophobicContact CD1-CG1 4.03Å; Y75-T90 WeakPolarHBondContact CE1-O 3.35Å
76C93.4Very high84.9Confident13 Ų1364.2 Ų64.29%0.08830%0.304CS..EExtended strand (participates in β ladder)trans-109.9131.7172.975.90000108C3 N16 W17 Y59 W88C3-C76 HydrophobicContact CB-CB 3.4Å; C3-C76 VanDerWaalsContact CB-CB 3.4Å; C3-C76 WeakPolarHBondContact CB-SG 3.35Å; C3-C76 WeakPolarHBondContact SG-CB 3.27Å; C3-C76 CovalentContact SG-SG 2.05Å; C3-C76 PolarHBondContact SG-SG 3.13Å; N16-C76 WeakPolarHBondContact O-CA 3.48Å; W17-C76 HydrophobicContact CE3-CB 4.22Å; W17-C76 HydrophobicContact CH2-CB 4Å; W17-C76 HydrophobicContact CZ2-CB 4.3Å; W17-C76 HydrophobicContact CZ3-CB 3.96Å; Y59-C76 HydrophobicContact CE2-CB 4.04Å; Y59-C76 WeakPolarHBondContact OH-CB 3.32Å; C76-W88 PolarHBondContact O-N 3.42Å; C76-W88 VanDerWaalsContact O-N 3.07Å
77A92.3Very high84.1Confident0 Ų065.5 Ų65.50%031%0.312CS..EExtended strand (participates in β ladder)trans-139.2147.2-168.600000111.2N16 I18 Y59 F85 D86N16-A77 HydrophobicContact CB-CB 4.3Å; N16-A77 WeakPolarHBondContact CB-O 3.31Å; N16-A77 PolarHBondContact N-O 2.99Å; N16-A77 PolarHBondContact ND2-O 2.83Å; N16-A77 PolarHBondContact O-N 3.19Å; I18-A77 HydrophobicContact CD1-CB 4.14Å; Y59-A77 PolarHBondContact OH-N 3.05Å; A77-F85 HydrophobicContact CB-CD1 4.28Å; A77-D86 CarbonylContact C-O 3.47Å; A77-D86 VanDerWaalsContact CA-O 3.23Å; A77-D86 WeakPolarHBondContact CA-O 3.35Å; A77-D86 VanDerWaalsContact CB-O 3.3Å; A77-D86 WeakPolarHBondContact CB-O 3.33Å
78R90.4Very high83.1Confident34 Ų3466.7 Ų66.713%0.12831%0.31CS..EExtended strand (participates in β ladder)trans-97.3138.4172.1-170.4-176.868168.2-6108.4D13 Y14 W15 F85 D86 W88D13-R78 HydrophobicContact CB-CG 3.78Å; D13-R78 IonicContact OD2-NH1 3.43Å; Y14-R78 WeakPolarHBondContact O-CA 3.49Å; W15-R78 HydrophobicContact CE3-CB 4.09Å; W15-R78 HydrophobicContact CE3-CG 4.29Å; W15-R78 HydrophobicContact CH2-CB 4.23Å; W15-R78 HydrophobicContact CH2-CG 3.93Å; W15-R78 HydrophobicContact CZ2-CG 4.31Å; W15-R78 HydrophobicContact CZ3-CB 3.73Å; W15-R78 HydrophobicContact CZ3-CG 3.91Å; R78-F85 WeakPolarHBondContact O-CA 3.44Å; R78-D86 HydrophobicContact CB-CB 4.44Å; R78-D86 IonicContact CZ-OD2 3.48Å; R78-D86 PolarHBondContact N-O 2.76Å; R78-D86 IonicContact NE-OD2 3.77Å; R78-D86 PolarHBondContact NE-OD2 3.3Å; R78-D86 IonicContact NH2-OD2 2.74Å; R78-D86 PolarHBondContact NH2-OD2 2.76Å; R78-D86 PolarHBondContact O-N 3.05Å; R78-W88 VanDerWaalsContact CB-CD1 3.45Å; R78-W88 HydrophobicContact CB-CG 4.27Å
79A83.4Confident82.1Confident3 Ų364.3 Ų64.33%0.02530%0.301CS..EExtended strand (participates in β ladder)trans-122.9136.9168.100000109.7Y14 N16 Y84 F85Y14-A79 PolarHBondContact N-O 2.69Å; Y14-A79 PolarHBondContact O-N 3.33Å; N16-A79 VanDerWaalsContact ND2-CB 3.28Å; N16-A79 WeakPolarHBondContact ND2-CB 3.44Å; N16-A79 PolarHBondContact ND2-N 2.98Å; A79-Y84 WeakPolarHBondContact CA-O 3.19Å; A79-F85 HydrophobicContact CB-CD1 3.86Å; A79-F85 HydrophobicContact CB-CE1 3.83Å
80N72.1Confident81.7Confident60 Ų6063.9 Ų63.932%0.32131%0.308SS..  trans-90-178.7166.870.2-2.3000110D82 W83 Y84N80-D82 PolarHBondContact O-N 3.38Å; N80-D82 VanDerWaalsContact O-N 3.1Å; N80-D82 PolarHBondContact OD1-N 2.89Å; N80-D82 VanDerWaalsContact OD1-N 3.17Å; N80-W83 PolarHBondContact O-N 3.19Å; N80-W83 VanDerWaalsContact O-N 3.15Å; N80-Y84 PolarHBondContact OD1-N 3.27Å
81W62.9Low81.3Confident167 Ų16764.7 Ų64.763%0.63332%0.317SS*.THydrogen-bonded Turntrans-59.7-18.7-179.7-60.791.5000114.6Y14 Y34Y14-W81 HydrophobicContact CE2-CD2 4.31Å; Y14-W81 HydrophobicContact CE2-CE3 4.34Å; Y14-W81 HydrophobicContact CE2-CH2 4.37Å; Y14-W81 HydrophobicContact CE2-CZ2 4.32Å; Y14-W81 HydrophobicContact CE2-CZ3 4.38Å; Y14-W81 WeakPolarHBondContact OH-CH2 3.45Å; Y14-W81 WeakPolarHBondContact OH-CZ3 3.48Å; Y34-W81 HydrophobicContact CE1-CH2 4.31Å; Y34-W81 HydrophobicContact CE1-CZ2 4.07Å
82D64.7Low81.2Confident136 Ų13666.6 Ų66.673%0.72733%0.329SS*.THydrogen-bonded Turntrans-929.4-179.8-62-40.5000113.4N80 Y84N80-D82 PolarHBondContact O-N 3.38Å; N80-D82 VanDerWaalsContact O-N 3.1Å; N80-D82 PolarHBondContact OD1-N 2.89Å; N80-D82 VanDerWaalsContact OD1-N 3.17Å; D82-Y84 PolarHBondContact O-N 2.85Å; D82-Y84 VanDerWaalsContact O-N 3.13Å
83W64.5Low81Confident174 Ų17471 Ų7166%0.65936%0.356SS*.  trans59.818.4-179.6-61.189.4000115N80 F85N80-W83 PolarHBondContact O-N 3.19Å; N80-W83 VanDerWaalsContact O-N 3.15Å; W83-F85 PolarHBondContact O-N 3.13Å
84Y70Confident80.7Confident163 Ų16371.2 Ų71.264%0.63936%0.357SS*.  trans-77.3119.5170.8-163.3-96.7000109.3A79 N80 D82A79-Y84 WeakPolarHBondContact CA-O 3.19Å; N80-Y84 PolarHBondContact OD1-N 3.27Å; D82-Y84 PolarHBondContact O-N 2.85Å; D82-Y84 VanDerWaalsContact O-N 3.13Å
85F75.6Confident80.4Confident73 Ų7376.3 Ų76.332%0.3239%0.388SS..EExtended strand (participates in β ladder)trans-87.6111.5176.8-67.8-72.3000110.2N16 I18 Y28 A77 R78 A79 W83N16-F85 HydrophobicContact CB-CD1 4.28Å; N16-F85 HydrophobicContact CB-CE1 3.9Å; N16-F85 VanDerWaalsContact CG-CE1 3.49Å; I18-F85 HydrophobicContact CD1-CD1 4.35Å; I18-F85 HydrophobicContact CD1-CG 4.39Å; Y28-F85 HydrophobicContact CD2-CZ 4.39Å; Y28-F85 HydrophobicContact CE2-CE1 4.39Å; Y28-F85 HydrophobicContact CE2-CZ 4.25Å; A77-F85 HydrophobicContact CB-CD1 4.28Å; R78-F85 WeakPolarHBondContact O-CA 3.44Å; A79-F85 HydrophobicContact CB-CD1 3.86Å; A79-F85 HydrophobicContact CB-CE1 3.83Å; W83-F85 PolarHBondContact O-N 3.13Å
86D77.3Confident80Confident53 Ų5375.3 Ų75.328%0.28339%0.388SS..EExtended strand (participates in β ladder)trans-81.6127.4159.5-64.8-32.6000107.1A77 R78A77-D86 CarbonylContact C-O 3.47Å; A77-D86 VanDerWaalsContact CA-O 3.23Å; A77-D86 WeakPolarHBondContact CA-O 3.35Å; A77-D86 VanDerWaalsContact CB-O 3.3Å; A77-D86 WeakPolarHBondContact CB-O 3.33Å; R78-D86 HydrophobicContact CB-CB 4.44Å; R78-D86 IonicContact CZ-OD2 3.48Å; R78-D86 PolarHBondContact N-O 2.76Å; R78-D86 IonicContact NE-OD2 3.77Å; R78-D86 PolarHBondContact NE-OD2 3.3Å; R78-D86 IonicContact NH2-OD2 2.74Å; R78-D86 PolarHBondContact NH2-OD2 2.76Å; R78-D86 PolarHBondContact O-N 3.05Å
87V73.9Confident79.5Confident90 Ų9079.7 Ų79.755%0.54542%0.419SS..EExtended strand (participates in β ladder)trans-89.1118.8174.8179.80000108.4Y75 G89Y75-V87 HydrophobicContact CD1-CG1 4.03Å; V87-G89 WeakPolarHBondContact CG1-O 3.42Å
88W71.3Confident78.5Confident84 Ų8488 Ų8832%0.31848%0.476SS..  trans-101.5-0.5-169.5-79.565.3000113.9V5 Y8 W15 C76 R78V5-W88 HydrophobicContact CG1-CE3 4.41Å; Y8-W88 AromaticContact CD2-CH2 3.02Å; Y8-W88 HydrophobicContact CD2-CH2 3.02Å; Y8-W88 AromaticContact CD2-CZ2 4Å; Y8-W88 HydrophobicContact CD2-CZ2 4Å; Y8-W88 AromaticContact CD2-CZ3 3.43Å; Y8-W88 HydrophobicContact CD2-CZ3 3.43Å; Y8-W88 VanDerWaalsContact CD2-CZ3 3.43Å; Y8-W88 AromaticContact CE2-CH2 3.24Å; Y8-W88 HydrophobicContact CE2-CH2 3.24Å; Y8-W88 HydrophobicContact CE2-CZ2 4.07Å; Y8-W88 HydrophobicContact CE2-CZ3 4.05Å; Y8-W88 AromaticContact CG-CH2 3.79Å; Y8-W88 HydrophobicContact CG-CH2 3.79Å; Y8-W88 HydrophobicContact CG-CZ2 4.46Å; Y8-W88 HydrophobicContact CG-CZ3 4.16Å; W15-W88 HydrophobicContact CZ3-CD2 4.47Å; W15-W88 HydrophobicContact CZ3-CG 4.48Å; C76-W88 PolarHBondContact O-N 3.42Å; C76-W88 VanDerWaalsContact O-N 3.07Å; R78-W88 VanDerWaalsContact CB-CD1 3.45Å; R78-W88 HydrophobicContact CB-CG 4.27Å
89G71.4Confident77.9Confident29 Ų2990.7 Ų90.730%0.29949%0.494SS..SBendtrans-140.5156.8179.100000112.3V87 G91V87-G89 WeakPolarHBondContact CG1-O 3.42Å; G89-G91 PolarHBondContact O-N 3.1Å; G89-G91 VanDerWaalsContact O-N 3.11Å
90T80.9Confident77.6Confident141 Ų14195.3 Ų95.387%0.86552%0.518SS*.  trans-66.8-7.8173.954.90000113.2Y75Y75-T90 WeakPolarHBondContact CE1-O 3.35Å
91G84.8Confident77.9Confident18 Ų1897.2 Ų97.219%0.18653%0.529CS..  trans79.8155.1-171.600000112.3Y74 G89Y74-G91 CarbonylContact O-C 3.58Å; Y74-G91 WeakPolarHBondContact O-CA 3.5Å; G89-G91 PolarHBondContact O-N 3.1Å; G89-G91 VanDerWaalsContact O-N 3.11Å
92T92.2Very high78.8Confident75 Ų7593.1 Ų93.146%0.4652%0.523SS..EExtended strand (participates in β ladder)trans-118.3119.3173.5-58.70000109.1L1 T73 Y74 V94L1-T92 HydrophobicContact CD2-CG2 4.11Å; T73-T92 WeakPolarHBondContact CA-O 3.43Å; Y74-T92 PolarHBondContact N-O 3.38Å; Y74-T92 PolarHBondContact O-N 3.41Å; T92-V94 PolarHBondContact O-N 3.3Å
93T92.4Very high79.6Confident95 Ų9590.4 Ų90.458%0.58351%0.51SS*.EExtended strand (participates in β ladder)trans-76.4122.4174-54.10000109.8T73T73-T93 PolarHBondContact OG1-OG1 2.73Å
94V89.8Confident80.7Confident33 Ų3384.9 Ų84.920%0.250%0.5CS..EExtended strand (participates in β ladder)trans-110.7124172.5-179.50000107.1L1 T71 A72 Y74 T92 V96L1-V94 HydrophobicContact CD1-CG2 4.3Å; L1-V94 HydrophobicContact CD2-CG2 3.91Å; T71-V94 WeakPolarHBondContact CA-O 3.29Å; A72-V94 PolarHBondContact N-O 3.43Å; A72-V94 VanDerWaalsContact N-O 3.13Å; A72-V94 PolarHBondContact O-N 3Å; Y74-V94 HydrophobicContact CD2-CB 4Å; Y74-V94 HydrophobicContact CD2-CG2 3.73Å; Y74-V94 HydrophobicContact CE2-CB 3.8Å; Y74-V94 HydrophobicContact CE2-CG2 3.96Å; T92-V94 PolarHBondContact O-N 3.3Å; V94-V96 HydrophobicContact CG1-CG2 4.21Å
95T90.1Very high81.4Confident109 Ų10979.3 Ų79.367%0.66949%0.49SS*.  trans-113.1130176.1-54.60000108.8T71T71-T95 HydrophobicContact CG2-CG2 4.28Å
96V86Confident81.9Confident32 Ų3279.8 Ų79.819%0.19450%0.504CS..  trans-121.6117.3-178.9-174.40000107.2V66 T67 T71 V94V66-V96 HydrophobicContact CG1-CB 4.47Å; V66-V96 HydrophobicContact CG1-CG1 4.25Å; V66-V96 HydrophobicContact CG1-CG2 3.49Å; V66-V96 VanDerWaalsContact CG1-CG2 3.49Å; T67-V96 WeakPolarHBondContact O-CB 3.29Å; T67-V96 WeakPolarHBondContact O-CG1 3.37Å; T71-V96 PolarHBondContact OG1-N 2.57Å; T71-V96 PolarHBondContact OG1-O 2.94Å; V94-V96 HydrophobicContact CG1-CG2 4.21Å
97S82.7Confident82.2Confident105 Ų10582 Ų8273%0.73452%0.522SS*.  trans-114150.9176.356.50000110.2
98S71.4Confident83Confident173 Ų17381.3 Ų81.3100%1.2152%0.52SS*.  trans-74.60171.5580000112.6

Retrieved 98 of 98 residues in 25.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).