X5J5G9_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5G9, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 78 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
1T96.3Very high93.3Very high106 Ų10661.4 Ų61.465%0.6541%0.406SS*.  0142.20-56.50000109.3Q58 F60T1-Q58 HydrophobicContact CG2-CG 4.44Å; T1-F60 HydrophobicContact CG2-CD1 3.64Å; T1-F60 HydrophobicContact CG2-CE1 3.39Å; T1-F60 HydrophobicContact CG2-CZ 4.31Å; T1-F60 WeakPolarHBondContact OG1-CD1 3.45Å
2C96.5Very high92.1Very high13 Ų1360.2 Ų60.29%0.08841%0.413CS..EExtended strand (participates in β ladder)trans-123.5124.4170.5-171.70000109.2W17 Q58 F59 C76C2-W17 HydrophobicContact CB-CH2 3.9Å; C2-W17 HydrophobicContact CB-CZ2 3.88Å; C2-Q58 VanDerWaalsContact O-CA 3.31Å; C2-Q58 WeakPolarHBondContact O-CA 3.33Å; C2-F59 HydrophobicContact CB-CD1 3.97Å; C2-F59 HydrophobicContact CB-CD2 4.37Å; C2-F59 HydrophobicContact CB-CE1 3.6Å; C2-F59 HydrophobicContact CB-CE2 4.02Å; C2-F59 HydrophobicContact CB-CG 4.37Å; C2-F59 HydrophobicContact CB-CZ 3.66Å; C2-F59 PolarHBondContact N-O 3.29Å; C2-F59 PolarHBondContact O-N 3.17Å; C2-F59 VanDerWaalsContact SG-CE1 3.53Å; C2-C76 HydrophobicContact CB-CB 3.38Å; C2-C76 WeakPolarHBondContact CB-SG 3.31Å; C2-C76 WeakPolarHBondContact SG-CB 3.21Å; C2-C76 CovalentContact SG-SG 2.04Å; C2-C76 PolarHBondContact SG-SG 2.75Å
3S96.9Very high91.6Very high74 Ų7464.9 Ų64.952%0.51742%0.418SS..EExtended strand (participates in β ladder)trans-104.1126.9175.7-560000108.5Q58S3-Q58 PolarHBondContact OG-NE2 2.75Å
4V94.6Very high91.7Very high22 Ų2268.5 Ų68.513%0.13342%0.42CS..  trans-99.9135.8179.9-177.20000109.2Y7 I9 W15 N57 F59V4-Y7 VanDerWaalsContact CG1-O 3.29Å; V4-Y7 WeakPolarHBondContact CG1-O 3.32Å; V4-I9 HydrophobicContact CB-CG2 3.89Å; V4-I9 HydrophobicContact CG2-CG2 3.58Å; V4-W15 HydrophobicContact CB-CH2 4.34Å; V4-W15 HydrophobicContact CG1-CH2 3.68Å; V4-W15 HydrophobicContact CG1-CZ2 4.34Å; V4-W15 HydrophobicContact CG1-CZ3 4.3Å; V4-W15 HydrophobicContact CG2-CE3 4.22Å; V4-W15 HydrophobicContact CG2-CH2 3.76Å; V4-W15 HydrophobicContact CG2-CZ2 4.32Å; V4-W15 HydrophobicContact CG2-CZ3 3.7Å; V4-N57 PolarHBondContact N-O 3.34Å; V4-N57 VanDerWaalsContact N-O 3.08Å; V4-N57 PolarHBondContact O-ND2 3.09Å; V4-F59 HydrophobicContact CG2-CD1 4.31Å; V4-F59 HydrophobicContact CG2-CE1 3.9Å
5T94.5Very high92Very high131 Ų13165.1 Ų65.180%0.80440%0.396SS*.  trans-125.5142.4177.254.50000109.6Y7T5-Y7 PolarHBondContact O-N 3.37Å
6G91.8Very high92.3Very high92 Ų9262.9 Ų62.995%0.94838%0.382SS*.SBendtrans76.4-1.5-179.700000115.1
7Y90Very high92.7Very high90 Ų9059.9 Ų59.935%0.35336%0.362SS..SBendtrans-151.2150.8177.9-164.7-99000110.8V4 T5 S11 Y13 W15 N57 I78V4-Y7 VanDerWaalsContact CG1-O 3.29Å; V4-Y7 WeakPolarHBondContact CG1-O 3.32Å; T5-Y7 PolarHBondContact O-N 3.37Å; Y7-S11 WeakPolarHBondContact CE1-OG 3.29Å; Y7-S11 WeakPolarHBondContact OH-CB 3.27Å; Y7-S11 PolarHBondContact OH-O 2.88Å; Y7-S11 PolarHBondContact OH-OG 2.78Å; Y7-Y13 AromaticContact CE1-CD2 3.48Å; Y7-Y13 HydrophobicContact CE1-CD2 3.48Å; Y7-Y13 VanDerWaalsContact CE1-CD2 3.48Å; Y7-Y13 AromaticContact CE1-CE2 3.87Å; Y7-Y13 HydrophobicContact CE1-CE2 3.87Å; Y7-Y13 HydrophobicContact CE2-CE2 4.11Å; Y7-Y13 AromaticContact CZ-CD2 3.43Å; Y7-Y13 VanDerWaalsContact CZ-CD2 3.43Å; Y7-Y13 AromaticContact CZ-CE2 3.33Å; Y7-Y13 WeakPolarHBondContact OH-CD2 3.28Å; Y7-Y13 WeakPolarHBondContact OH-CE2 3.34Å; Y7-W15 AromaticContact CD1-CH2 3.97Å; Y7-W15 HydrophobicContact CD1-CH2 3.97Å; Y7-W15 AromaticContact CD1-CZ2 3.79Å; Y7-W15 HydrophobicContact CD1-CZ2 3.79Å; Y7-W15 HydrophobicContact CE1-CZ2 4.12Å; Y7-N57 PolarHBondContact O-ND2 3.2Å; Y7-I78 HydrophobicContact CD1-CD1 4.15Å; Y7-I78 HydrophobicContact CE1-CD1 3.99Å
8S92.7Very high93Very high47 Ų4758.9 Ų58.933%0.32935%0.354SS..  trans-89.3139178.8-179.20000111.7T10 S11 N57S8-T10 PolarHBondContact O-N 3.16Å; S8-T10 PolarHBondContact OG-N 3.27Å; S8-T10 VanDerWaalsContact OG-N 3.17Å; S8-T10 PolarHBondContact OG-OG1 2.79Å; S8-S11 WeakPolarHBondContact CB-OG 3.38Å; S8-S11 PolarHBondContact O-N 2.95Å; S8-S11 PolarHBondContact O-OG 2.89Å; S8-N57 WeakPolarHBondContact CA-OD1 3.17Å
9I93.6Very high93.2Very high2 Ų256.6 Ų56.61%0.0134%0.338CS..THydrogen-bonded Turntrans-69-12.9172.865.8169.3000113.3V4 W15 R52 T54 N57 Q58 F59V4-I9 HydrophobicContact CB-CG2 3.89Å; V4-I9 HydrophobicContact CG2-CG2 3.58Å; I9-W15 VanDerWaalsContact CA-NE1 3.27Å; I9-W15 HydrophobicContact CB-CZ2 4.34Å; I9-W15 HydrophobicContact CG2-CD2 4.48Å; I9-W15 HydrophobicContact CG2-CZ2 4.08Å; I9-W15 PolarHBondContact O-NE1 3.09Å; I9-R52 HydrophobicContact CD1-CB 4.03Å; I9-T54 HydrophobicContact CD1-CG2 4.3Å; I9-N57 WeakPolarHBondContact CG2-OD1 3.05Å; I9-N57 PolarHBondContact N-OD1 3.06Å; I9-Q58 WeakPolarHBondContact CD1-O 3.2Å; I9-F59 HydrophobicContact CG2-CD1 4.25Å
10T93.3Very high93.4Very high61 Ų6155.9 Ų55.937%0.37433%0.331SS..THydrogen-bonded Turntrans-98.85179.360.60000113.7S8 G12 Y34 T54S8-T10 PolarHBondContact O-N 3.16Å; S8-T10 PolarHBondContact OG-N 3.27Å; S8-T10 VanDerWaalsContact OG-N 3.17Å; S8-T10 PolarHBondContact OG-OG1 2.79Å; T10-G12 PolarHBondContact O-N 2.79Å; T10-Y34 WeakPolarHBondContact O-CB 3.39Å; T10-T54 HydrophobicContact CG2-CG2 3.44Å; T10-T54 VanDerWaalsContact CG2-CG2 3.44Å
11S86.3Confident93.6Very high37 Ų3755.2 Ų55.226%0.25932%0.324SS..SBendtrans-94.288.5177.538.20000110.9Y7 S8 Y13Y7-S11 WeakPolarHBondContact CE1-OG 3.29Å; Y7-S11 WeakPolarHBondContact OH-CB 3.27Å; Y7-S11 PolarHBondContact OH-O 2.88Å; Y7-S11 PolarHBondContact OH-OG 2.78Å; S8-S11 WeakPolarHBondContact CB-OG 3.38Å; S8-S11 PolarHBondContact O-N 2.95Å; S8-S11 PolarHBondContact O-OG 2.89Å; S11-Y13 WeakPolarHBondContact O-CD2 3.5Å; S11-Y13 PolarHBondContact O-N 3.32Å
12G79.2Confident93.6Very high47 Ų4755.6 Ų55.649%0.48533%0.328SS..SBendtrans64-20.3158.900000119.3T10T10-G12 PolarHBondContact O-N 2.79Å
13Y85Confident93.5Very high122 Ų12258.5 Ų58.548%0.47836%0.36SS..  trans-95.1170-170.9-63.1-62.9000113.6Y7 S11 Y34 I78Y7-Y13 AromaticContact CE1-CD2 3.48Å; Y7-Y13 HydrophobicContact CE1-CD2 3.48Å; Y7-Y13 VanDerWaalsContact CE1-CD2 3.48Å; Y7-Y13 AromaticContact CE1-CE2 3.87Å; Y7-Y13 HydrophobicContact CE1-CE2 3.87Å; Y7-Y13 HydrophobicContact CE2-CE2 4.11Å; Y7-Y13 AromaticContact CZ-CD2 3.43Å; Y7-Y13 VanDerWaalsContact CZ-CD2 3.43Å; Y7-Y13 AromaticContact CZ-CE2 3.33Å; Y7-Y13 WeakPolarHBondContact OH-CD2 3.28Å; Y7-Y13 WeakPolarHBondContact OH-CE2 3.34Å; S11-Y13 WeakPolarHBondContact O-CD2 3.5Å; S11-Y13 PolarHBondContact O-N 3.32Å; Y13-Y34 PolarHBondContact O-N 3.1Å; Y13-I78 HydrophobicContact CD2-CD1 3.36Å; Y13-I78 HydrophobicContact CD2-CG1 4.13Å; Y13-I78 HydrophobicContact CE2-CD1 4.1Å; Y13-I78 HydrophobicContact CG-CD1 3.7Å; Y13-I78 HydrophobicContact CG-CG1 3.93Å
14Y93.6Very high93.3Very high115 Ų11561 Ų6145%0.45137%0.368SS..EExtended strand (participates in β ladder)trans-103.1122.2174.7-58.4-77.1000109.4N16 Y31 I78Y14-N16 PolarHBondContact O-ND2 3.25Å; Y14-Y31 AromaticContact CD1-CD2 3.57Å; Y14-Y31 HydrophobicContact CD1-CD2 3.57Å; Y14-Y31 AromaticContact CD1-CE2 3.48Å; Y14-Y31 HydrophobicContact CD1-CE2 3.48Å; Y14-Y31 VanDerWaalsContact CD1-CE2 3.48Å; Y14-Y31 HydrophobicContact CD1-CG 4.32Å; Y14-Y31 HydrophobicContact CE1-CD2 4.41Å; Y14-Y31 AromaticContact CE1-CE2 3.86Å; Y14-Y31 HydrophobicContact CE1-CE2 3.86Å; Y14-Y31 HydrophobicContact CG-CD2 4.26Å; Y14-Y31 HydrophobicContact CG-CE2 4.46Å; Y14-I78 VanDerWaalsContact O-OXT 3.06Å
15W95.8Very high93.3Very high17 Ų1766.8 Ų66.86%0.06439%0.391CS..EExtended strand (participates in β ladder)trans-91.9115.2177.9-63.697.4000110V4 Y7 I9 Y31 I32 F59 I78V4-W15 HydrophobicContact CB-CH2 4.34Å; V4-W15 HydrophobicContact CG1-CH2 3.68Å; V4-W15 HydrophobicContact CG1-CZ2 4.34Å; V4-W15 HydrophobicContact CG1-CZ3 4.3Å; V4-W15 HydrophobicContact CG2-CE3 4.22Å; V4-W15 HydrophobicContact CG2-CH2 3.76Å; V4-W15 HydrophobicContact CG2-CZ2 4.32Å; V4-W15 HydrophobicContact CG2-CZ3 3.7Å; Y7-W15 AromaticContact CD1-CH2 3.97Å; Y7-W15 HydrophobicContact CD1-CH2 3.97Å; Y7-W15 AromaticContact CD1-CZ2 3.79Å; Y7-W15 HydrophobicContact CD1-CZ2 3.79Å; Y7-W15 HydrophobicContact CE1-CZ2 4.12Å; I9-W15 VanDerWaalsContact CA-NE1 3.27Å; I9-W15 HydrophobicContact CB-CZ2 4.34Å; I9-W15 HydrophobicContact CG2-CD2 4.48Å; I9-W15 HydrophobicContact CG2-CZ2 4.08Å; I9-W15 PolarHBondContact O-NE1 3.09Å; W15-Y31 CarbonylContact O-C 3.48Å; W15-Y31 WeakPolarHBondContact O-CA 3.48Å; W15-Y31 WeakPolarHBondContact O-CB 3.05Å; W15-I32 HydrophobicContact CB-CG2 4.11Å; W15-I32 PolarHBondContact N-O 2.87Å; W15-I32 PolarHBondContact O-N 3.06Å; W15-F59 HydrophobicContact CB-CD1 4.11Å; W15-F59 HydrophobicContact CB-CD2 3.98Å; W15-F59 HydrophobicContact CB-CE1 3.88Å; W15-F59 HydrophobicContact CB-CE2 3.76Å; W15-F59 HydrophobicContact CB-CG 4.13Å; W15-F59 HydrophobicContact CB-CZ 3.66Å; W15-F59 HydrophobicContact CD2-CD1 4.3Å; W15-F59 AromaticContact CD2-CE1 3.8Å; W15-F59 HydrophobicContact CD2-CE1 3.8Å; W15-F59 HydrophobicContact CD2-CZ 4.22Å; W15-F59 HydrophobicContact CE3-CD1 4.42Å; W15-F59 AromaticContact CE3-CE1 3.51Å; W15-F59 HydrophobicContact CE3-CE1 3.51Å; W15-F59 AromaticContact CE3-CZ 3.79Å; W15-F59 HydrophobicContact CE3-CZ 3.79Å; W15-F59 HydrophobicContact CG-CD1 4.17Å; W15-F59 AromaticContact CG-CE1 3.97Å; W15-F59 HydrophobicContact CG-CE1 3.97Å; W15-F59 HydrophobicContact CG-CZ 4.21Å; W15-F59 HydrophobicContact CZ3-CE1 4.3Å; W15-I78 HydrophobicContact CD2-CG1 4.44Å; W15-I78 HydrophobicContact CE3-CB 4Å; W15-I78 HydrophobicContact CE3-CG1 4.11Å; W15-I78 HydrophobicContact CH2-CB 4.17Å; W15-I78 HydrophobicContact CH2-CD1 3.43Å; W15-I78 VanDerWaalsContact CH2-CD1 3.43Å; W15-I78 HydrophobicContact CH2-CG1 3.92Å; W15-I78 HydrophobicContact CZ2-CD1 3.73Å; W15-I78 HydrophobicContact CZ2-CG1 4.21Å; W15-I78 HydrophobicContact CZ3-CB 3.67Å; W15-I78 HydrophobicContact CZ3-CD1 3.88Å; W15-I78 HydrophobicContact CZ3-CG1 3.85Å
16N97.1Very high93.5Very high30 Ų3065.7 Ų65.716%0.1638%0.38CS..EExtended strand (participates in β ladder)trans-98.9145.3-171.5-70.3-82.8000111.6Y14 W28 Y31 C76 A77Y14-N16 PolarHBondContact O-ND2 3.25Å; N16-W28 PolarHBondContact OD1-NE1 3.4Å; N16-Y31 WeakPolarHBondContact OD1-CB 3.46Å; N16-C76 WeakPolarHBondContact O-CA 3.41Å; N16-A77 HydrophobicContact CB-CB 4.39Å; N16-A77 PolarHBondContact N-O 2.66Å; N16-A77 PolarHBondContact O-N 3.04Å
17W98.1Very high93.7Very high12 Ų1263.3 Ų63.35%0.04534%0.344CS..EExtended strand (participates in β ladder)trans-109.3128.4163-76.9100.8000109.7C2 M29 G30 F59 L61 C76C2-W17 HydrophobicContact CB-CH2 3.9Å; C2-W17 HydrophobicContact CB-CZ2 3.88Å; W17-M29 HydrophobicContact CB-CB 4.14Å; W17-M29 WeakPolarHBondContact O-CB 3.31Å; W17-M29 PolarHBondContact O-N 2.77Å; W17-G30 PolarHBondContact N-O 2.88Å; W17-F59 HydrophobicContact CD2-CE2 4.4Å; W17-F59 AromaticContact CE2-CD2 3.81Å; W17-F59 AromaticContact CE2-CE2 3.69Å; W17-F59 HydrophobicContact CZ2-CD2 4.05Å; W17-F59 HydrophobicContact CZ2-CE2 4Å; W17-F59 AromaticContact NE1-CD2 3.29Å; W17-F59 VanDerWaalsContact NE1-CD2 3.29Å; W17-F59 AromaticContact NE1-CE2 3.46Å; W17-L61 HydrophobicContact CB-CD2 4.37Å; W17-L61 HydrophobicContact CD2-CB 3.6Å; W17-L61 HydrophobicContact CD2-CD2 4.04Å; W17-L61 HydrophobicContact CD2-CG 4.36Å; W17-L61 VanDerWaalsContact CE2-CB 3.47Å; W17-L61 HydrophobicContact CE3-CB 4.13Å; W17-L61 HydrophobicContact CE3-CD2 4.02Å; W17-L61 HydrophobicContact CG-CB 3.9Å; W17-L61 HydrophobicContact CG-CD1 4.37Å; W17-L61 HydrophobicContact CG-CD2 4.2Å; W17-L61 HydrophobicContact CG-CG 4.39Å; W17-L61 HydrophobicContact CH2-CB 4.44Å; W17-L61 HydrophobicContact CZ2-CB 3.94Å; W17-C76 HydrophobicContact CE3-CB 4.32Å; W17-C76 HydrophobicContact CH2-CB 4.08Å; W17-C76 HydrophobicContact CZ2-CB 4.38Å; W17-C76 HydrophobicContact CZ3-CB 4.05Å
18I98.1Very high94.1Very high43 Ų4363.2 Ų63.222%0.22134%0.343CS..EExtended strand (participates in β ladder)trans-129.8138.1179.6-56.4168.6000107.1L26 E27 Y75 A77I18-L26 HydrophobicContact CG2-CB 4.29Å; I18-L26 HydrophobicContact CG2-CD2 4Å; I18-E27 WeakPolarHBondContact CA-O 3.48Å; I18-Y75 PolarHBondContact N-O 3.29Å; I18-Y75 PolarHBondContact O-N 3.07Å; I18-A77 HydrophobicContact CD1-CB 4.2Å
19R97.5Very high94.4Very high15 Ų1561 Ų616%0.05733%0.328CS..EExtended strand (participates in β ladder)trans-114142.3168.767.6178.9177.4176.42.4111F21 L26 E27 M29 D70 A72 T73 Y74R19-F21 HydrophobicContact CG-CE2 4.3Å; R19-F21 HydrophobicContact CG-CZ 4.25Å; R19-F21 VanDerWaalsContact NE-CZ 3.34Å; R19-L26 WeakPolarHBondContact O-CA 2.95Å; R19-E27 HydrophobicContact CG-CB 4.08Å; R19-E27 IonicContact CZ-OE2 3.76Å; R19-E27 PolarHBondContact N-O 2.92Å; R19-E27 IonicContact NE-OE2 2.7Å; R19-E27 PolarHBondContact NE-OE2 2.7Å; R19-E27 IonicContact NH2-OE2 2.73Å; R19-E27 PolarHBondContact NH2-OE2 2.82Å; R19-E27 PolarHBondContact O-N 3.41Å; R19-M29 HydrophobicContact CB-CG 4.49Å; R19-M29 HydrophobicContact CB-SD 3.92Å; R19-M29 HydrophobicContact CG-CG 4.13Å; R19-M29 HydrophobicContact CG-SD 4Å; R19-D70 IonicContact CZ-OD1 3.99Å; R19-D70 IonicContact NH1-OD1 3.71Å; R19-D70 PolarHBondContact NH1-OD1 2.86Å; R19-D70 IonicContact NH2-OD1 3.54Å; R19-A72 HydrophobicContact CB-CB 3.87Å; R19-A72 HydrophobicContact CG-CB 4.33Å; R19-T73 CarbonylContact C-O 3.56Å; R19-T73 VanDerWaalsContact CA-O 3.31Å; R19-T73 WeakPolarHBondContact CA-O 3.5Å; R19-Y74 HydrophobicContact CB-CD1 3.86Å; R19-Y74 HydrophobicContact CB-CE1 3.9Å; R19-Y74 HydrophobicContact CB-CG 4.38Å
20Q98.2Very high94.6Very high42 Ų4260.9 Ų60.920%0.19633%0.327CS..EExtended strand (participates in β ladder)trans-116.1118.7178.4-172.9-178.834.200109.8N24 K25 L26 A72 T73 Y75Q20-N24 PolarHBondContact NE2-OD1 2.67Å; Q20-K25 WeakPolarHBondContact CA-O 3.03Å; Q20-L26 HydrophobicContact CB-CD2 3.65Å; Q20-L26 HydrophobicContact CG-CD2 3.72Å; Q20-A72 CarbonylContact O-C 3.5Å; Q20-A72 VanDerWaalsContact O-CA 3.29Å; Q20-A72 WeakPolarHBondContact O-CA 2.86Å; Q20-A72 VanDerWaalsContact O-CB 3.27Å; Q20-A72 WeakPolarHBondContact O-CB 3.07Å; Q20-T73 PolarHBondContact N-O 2.69Å; Q20-T73 PolarHBondContact O-N 2.58Å; Q20-Y75 HydrophobicContact CB-CD2 4.24Å; Q20-Y75 HydrophobicContact CB-CE2 3.59Å; Q20-Y75 HydrophobicContact CG-CE2 4.48Å; Q20-Y75 PolarHBondContact OE1-OH 2.69Å
21F97.4Very high94.8Very high42 Ų4260.7 Ų60.718%0.18432%0.32CS..  trans-79.4160.6176.2-64-74.6000111.6R19 G23 N24 K25 E27 E69 A72R19-F21 HydrophobicContact CG-CE2 4.3Å; R19-F21 HydrophobicContact CG-CZ 4.25Å; R19-F21 VanDerWaalsContact NE-CZ 3.34Å; F21-G23 PolarHBondContact O-N 2.77Å; F21-N24 PolarHBondContact O-N 3.37Å; F21-N24 VanDerWaalsContact O-N 3.09Å; F21-K25 HydrophobicContact CB-CB 4.4Å; F21-K25 HydrophobicContact CD2-CB 4.42Å; F21-K25 HydrophobicContact CD2-CD 4.41Å; F21-K25 HydrophobicContact CD2-CG 4.39Å; F21-K25 PolarHBondContact N-O 2.67Å; F21-E27 HydrophobicContact CE2-CB 3.95Å; F21-E69 VanDerWaalsContact CE1-O 3.28Å; F21-E69 WeakPolarHBondContact CE1-O 3.39Å; F21-A72 HydrophobicContact CD1-CB 4Å; F21-A72 HydrophobicContact CE1-CB 4.16Å
22P94.8Very high95.3Very high113 Ų11359.2 Ų59.273%0.73431%0.309SS*.THydrogen-bonded Turntrans-48.2132.9162.2-25.134.7000110.5
23G94.8Very high96Very high74 Ų7457 Ų5776%0.76329%0.286SS*.THydrogen-bonded Turntrans89.114.4-172.400000115F21 K25F21-G23 PolarHBondContact O-N 2.77Å; G23-K25 PolarHBondContact O-N 2.04Å
24N92.9Very high96.4Very high126 Ų12656.5 Ų56.567%0.67428%0.284SS*.SBendtrans65.614.9172.1-59.6-44.1000115.9Q20 F21 L26Q20-N24 PolarHBondContact NE2-OD1 2.67Å; F21-N24 PolarHBondContact O-N 3.37Å; F21-N24 VanDerWaalsContact O-N 3.09Å; N24-L26 PolarHBondContact O-N 2.85Å
25K95.8Very high96.3Very high145 Ų14555.5 Ų55.563%0.6329%0.287SS*.  trans-71.6122.8172.9-178.4-177.8177.3-174.10109.9Q20 F21 G23Q20-K25 WeakPolarHBondContact CA-O 3.03Å; F21-K25 HydrophobicContact CB-CB 4.4Å; F21-K25 HydrophobicContact CD2-CB 4.42Å; F21-K25 HydrophobicContact CD2-CD 4.41Å; F21-K25 HydrophobicContact CD2-CG 4.39Å; F21-K25 PolarHBondContact N-O 2.67Å; G23-K25 PolarHBondContact O-N 2.04Å
26L97.1Very high96.2Very high107 Ų10756 Ų5656%0.5630%0.297SS*.EExtended strand (participates in β ladder)trans-94.2139.9175.3-63173.1000110.9I18 R19 Q20 N24I18-L26 HydrophobicContact CG2-CB 4.29Å; I18-L26 HydrophobicContact CG2-CD2 4Å; R19-L26 WeakPolarHBondContact O-CA 2.95Å; Q20-L26 HydrophobicContact CB-CD2 3.65Å; Q20-L26 HydrophobicContact CG-CD2 3.72Å; N24-L26 PolarHBondContact O-N 2.85Å
27E97.6Very high96.1Very high42 Ų4257.1 Ų57.120%0.19631%0.307CS..EExtended strand (participates in β ladder)trans-129.3120.5169-176.9175.5-138.300109.5I18 R19 F21I18-E27 WeakPolarHBondContact CA-O 3.48Å; R19-E27 HydrophobicContact CG-CB 4.08Å; R19-E27 IonicContact CZ-OE2 3.76Å; R19-E27 PolarHBondContact N-O 2.92Å; R19-E27 IonicContact NE-OE2 2.7Å; R19-E27 PolarHBondContact NE-OE2 2.7Å; R19-E27 IonicContact NH2-OE2 2.73Å; R19-E27 PolarHBondContact NH2-OE2 2.82Å; R19-E27 PolarHBondContact O-N 3.41Å; F21-E27 HydrophobicContact CE2-CB 3.95Å
28W97.9Very high96Very high89 Ų8959.8 Ų59.834%0.33732%0.322SS..EExtended strand (participates in β ladder)trans-70.2131.3169.6175.179.5000109.4N16 G30 Y31 N39 N41N16-W28 PolarHBondContact OD1-NE1 3.4Å; W28-G30 VanDerWaalsContact CE2-CA 3.45Å; W28-G30 VanDerWaalsContact CZ2-C 3.49Å; W28-G30 PolarHBondContact NE1-O 2.98Å; W28-Y31 AromaticContact CZ2-CD1 3.68Å; W28-Y31 HydrophobicContact CZ2-CD1 3.68Å; W28-Y31 HydrophobicContact CZ2-CE1 4.39Å; W28-N39 HydrophobicContact CH2-CB 4.33Å; W28-N41 HydrophobicContact CE3-CB 3.92Å; W28-N41 HydrophobicContact CZ3-CB 4.02Å; W28-N41 VanDerWaalsContact CZ3-N 3.32Å; W28-N41 VanDerWaalsContact O-CB 3.31Å; W28-N41 WeakPolarHBondContact O-CB 3.44Å; W28-N41 PolarHBondContact O-ND2 2.99Å
29M97.9Very high96Very high0 Ų061.6 Ų61.60%033%0.332CS..EExtended strand (participates in β ladder)trans-99.7-39.3-177.7-58-174.470.800111.8W17 R19 N41 L44 I48 L61 Y74W17-M29 HydrophobicContact CB-CB 4.14Å; W17-M29 WeakPolarHBondContact O-CB 3.31Å; W17-M29 PolarHBondContact O-N 2.77Å; R19-M29 HydrophobicContact CB-CG 4.49Å; R19-M29 HydrophobicContact CB-SD 3.92Å; R19-M29 HydrophobicContact CG-CG 4.13Å; R19-M29 HydrophobicContact CG-SD 4Å; M29-N41 WeakPolarHBondContact O-CB 3.39Å; M29-N41 PolarHBondContact O-N 3.25Å; M29-L44 HydrophobicContact CB-CD1 4.07Å; M29-L44 HydrophobicContact CE-CD1 4.02Å; M29-L44 HydrophobicContact CG-CD1 3.9Å; M29-I48 HydrophobicContact CB-CD1 4.06Å; M29-I48 HydrophobicContact CE-CG2 3.88Å; M29-I48 WeakPolarHBondContact O-CD1 3.43Å; M29-L61 HydrophobicContact CE-CD1 4.2Å; M29-L61 HydrophobicContact CE-CD2 3.79Å; M29-L61 HydrophobicContact SD-CD2 3.73Å; M29-Y74 HydrophobicContact CE-CD1 4.49Å; M29-Y74 HydrophobicContact CE-CE1 3.89Å; M29-Y74 HydrophobicContact SD-CD1 3.73Å; M29-Y74 HydrophobicContact SD-CE1 3.62Å
30G97.9Very high96Very high0 Ų062.6 Ų62.60%034%0.336CS..EExtended strand (participates in β ladder)trans165.3174-174.600000111.7W17 W28 N39 I50W17-G30 PolarHBondContact N-O 2.88Å; W28-G30 VanDerWaalsContact CE2-CA 3.45Å; W28-G30 VanDerWaalsContact CZ2-C 3.49Å; W28-G30 PolarHBondContact NE1-O 2.98Å; G30-N39 CarbonylContact C-O 3.59Å; G30-N39 WeakPolarHBondContact CA-O 3.31Å; G30-I50 VanDerWaalsContact CA-CD1 3.48Å
31Y97.4Very high95.9Very high56 Ų5662.1 Ų62.122%0.2234%0.335CS..EExtended strand (participates in β ladder)trans-135.3161.7170.873.4-107.7000112.2Y14 W15 N16 W28 N38 N39Y14-Y31 AromaticContact CD1-CD2 3.57Å; Y14-Y31 HydrophobicContact CD1-CD2 3.57Å; Y14-Y31 AromaticContact CD1-CE2 3.48Å; Y14-Y31 HydrophobicContact CD1-CE2 3.48Å; Y14-Y31 VanDerWaalsContact CD1-CE2 3.48Å; Y14-Y31 HydrophobicContact CD1-CG 4.32Å; Y14-Y31 HydrophobicContact CE1-CD2 4.41Å; Y14-Y31 AromaticContact CE1-CE2 3.86Å; Y14-Y31 HydrophobicContact CE1-CE2 3.86Å; Y14-Y31 HydrophobicContact CG-CD2 4.26Å; Y14-Y31 HydrophobicContact CG-CE2 4.46Å; W15-Y31 CarbonylContact O-C 3.48Å; W15-Y31 WeakPolarHBondContact O-CA 3.48Å; W15-Y31 WeakPolarHBondContact O-CB 3.05Å; N16-Y31 WeakPolarHBondContact OD1-CB 3.46Å; W28-Y31 AromaticContact CZ2-CD1 3.68Å; W28-Y31 HydrophobicContact CZ2-CD1 3.68Å; W28-Y31 HydrophobicContact CZ2-CE1 4.39Å; Y31-N38 WeakPolarHBondContact O-CA 3.49Å; Y31-N38 WeakPolarHBondContact O-CB 3.31Å; Y31-N39 HydrophobicContact CD1-CB 4.07Å; Y31-N39 HydrophobicContact CE1-CB 3.44Å; Y31-N39 VanDerWaalsContact CE1-CB 3.44Å; Y31-N39 HydrophobicContact CE2-CB 4.37Å; Y31-N39 PolarHBondContact N-O 2.96Å; Y31-N39 PolarHBondContact O-N 2.78Å
32I97.1Very high95.9Very high6 Ų665.4 Ų65.43%0.03136%0.361CS..EExtended strand (participates in β ladder)trans-126.7129.3161.4-169.2164.1000109.7W15 S37 N38 I50 R52 F59W15-I32 HydrophobicContact CB-CG2 4.11Å; W15-I32 PolarHBondContact N-O 2.87Å; W15-I32 PolarHBondContact O-N 3.06Å; I32-S37 WeakPolarHBondContact CA-O 3.33Å; I32-N38 HydrophobicContact CB-CB 4.47Å; I32-N38 HydrophobicContact CG1-CB 4.47Å; I32-I50 HydrophobicContact CB-CG2 3.69Å; I32-I50 HydrophobicContact CG2-CG2 3.66Å; I32-R52 HydrophobicContact CD1-CB 4.06Å; I32-R52 HydrophobicContact CD1-CG 3.83Å; I32-F59 HydrophobicContact CG2-CB 4.23Å; I32-F59 HydrophobicContact CG2-CD2 4.48Å
33S95.1Very high95.9Very high1 Ų163.7 Ų63.71%0.00735%0.352CS..EExtended strand (participates in β ladder)trans-79.8176.5-18067.70000112D35 G36 S37 R52S33-D35 VanDerWaalsContact C-N 3.3Å; S33-D35 WeakPolarHBondContact CB-OD1 3.42Å; S33-D35 PolarHBondContact O-N 2.94Å; S33-D35 PolarHBondContact OG-N 2.86Å; S33-D35 PolarHBondContact OG-OD1 2.86Å; S33-G36 PolarHBondContact O-N 3.04Å; S33-G36 PolarHBondContact OG-N 2.88Å; S33-S37 WeakPolarHBondContact CB-OG 3.49Å; S33-S37 PolarHBondContact N-O 2.89Å; S33-S37 PolarHBondContact OG-N 3.34Å; S33-S37 VanDerWaalsContact OG-N 3.11Å; S33-S37 PolarHBondContact OG-O 2.96Å; S33-S37 PolarHBondContact OG-OG 3.16Å; S33-R52 PolarHBondContact O-NH1 3.04Å
34Y92.4Very high95.9Very high111 Ų11160.5 Ų60.544%0.43532%0.317SS..SBendtrans-65.4-22.7169.580-89.1000115T10 Y13 R52T10-Y34 WeakPolarHBondContact O-CB 3.39Å; Y13-Y34 PolarHBondContact O-N 3.1Å; Y34-R52 PolarHBondContact O-NH1 2.79Å; Y34-R52 PolarHBondContact O-NH2 2.83Å
35D92.6Very high96Very high95 Ų9560.8 Ų60.851%0.50831%0.312SS..SBendtrans-94.2-8.3175.572.5-6.4000113S33 S37 R52S33-D35 VanDerWaalsContact C-N 3.3Å; S33-D35 WeakPolarHBondContact CB-OD1 3.42Å; S33-D35 PolarHBondContact O-N 2.94Å; S33-D35 PolarHBondContact OG-N 2.86Å; S33-D35 PolarHBondContact OG-OD1 2.86Å; D35-S37 VanDerWaalsContact OD1-CB 3.31Å; D35-S37 WeakPolarHBondContact OD1-CB 3.29Å; D35-S37 PolarHBondContact OD1-N 2.76Å; D35-S37 PolarHBondContact OD1-OG 2.95Å; D35-R52 PolarHBondContact O-NH2 2.92Å; D35-R52 VanDerWaalsContact O-NH2 3.07Å
36G93.2Very high96Very high26 Ų2661.3 Ų61.327%0.26832%0.322SS..SBendtrans95-1.8175.600000113.2S33 R52S33-G36 PolarHBondContact O-N 3.04Å; S33-G36 PolarHBondContact OG-N 2.88Å; G36-R52 VanDerWaalsContact N-NH1 3.19Å; G36-R52 VanDerWaalsContact N-NH2 3.11Å
37S94.9Very high95.9Very high54 Ų5459.1 Ų59.138%0.37831%0.306SS..  trans-58.9142.4163.762.40000110.1I32 S33 D35I32-S37 WeakPolarHBondContact CA-O 3.33Å; S33-S37 WeakPolarHBondContact CB-OG 3.49Å; S33-S37 PolarHBondContact N-O 2.89Å; S33-S37 PolarHBondContact OG-N 3.34Å; S33-S37 VanDerWaalsContact OG-N 3.11Å; S33-S37 PolarHBondContact OG-O 2.96Å; S33-S37 PolarHBondContact OG-OG 3.16Å; D35-S37 VanDerWaalsContact OD1-CB 3.31Å; D35-S37 WeakPolarHBondContact OD1-CB 3.29Å; D35-S37 PolarHBondContact OD1-N 2.76Å; D35-S37 PolarHBondContact OD1-OG 2.95Å
38N95.8Very high95.9Very high68 Ų6857.5 Ų57.536%0.36430%0.299SS..EExtended strand (participates in β ladder)trans-133.9157.1-179.956.437.6000110.5Y31 I32 Y40Y31-N38 WeakPolarHBondContact O-CA 3.49Å; Y31-N38 WeakPolarHBondContact O-CB 3.31Å; I32-N38 HydrophobicContact CB-CB 4.47Å; I32-N38 HydrophobicContact CG1-CB 4.47Å; N38-Y40 HydrophobicContact CB-CE2 4.43Å; N38-Y40 PolarHBondContact ND2-OH 3.29Å; N38-Y40 VanDerWaalsContact OD1-CE2 3.26Å; N38-Y40 WeakPolarHBondContact OD1-CE2 3.29Å
39N97.1Very high95.9Very high82 Ų8255.2 Ų55.244%0.43930%0.296SS..EExtended strand (participates in β ladder)trans-138153.7169.6-157.7-16000108.7W28 G30 Y31W28-N39 HydrophobicContact CH2-CB 4.33Å; G30-N39 CarbonylContact C-O 3.59Å; G30-N39 WeakPolarHBondContact CA-O 3.31Å; Y31-N39 HydrophobicContact CD1-CB 4.07Å; Y31-N39 HydrophobicContact CE1-CB 3.44Å; Y31-N39 VanDerWaalsContact CE1-CB 3.44Å; Y31-N39 HydrophobicContact CE2-CB 4.37Å; Y31-N39 PolarHBondContact N-O 2.96Å; Y31-N39 PolarHBondContact O-N 2.78Å
40Y98Very high95.9Very high36 Ų3655.3 Ų55.314%0.14130%0.297CS..EExtended strand (participates in β ladder)trans-129.2148.8-172.8-58.2-78.3000109.5N38 P42 K45 I48 I50N38-Y40 HydrophobicContact CB-CE2 4.43Å; N38-Y40 PolarHBondContact ND2-OH 3.29Å; N38-Y40 VanDerWaalsContact OD1-CE2 3.26Å; N38-Y40 WeakPolarHBondContact OD1-CE2 3.29Å; Y40-P42 WeakPolarHBondContact O-CD 3.5Å; Y40-K45 HydrophobicContact CD2-CG 4.29Å; Y40-K45 HydrophobicContact CG-CG 4.44Å; Y40-I48 HydrophobicContact CD1-CD1 3.65Å; Y40-I48 HydrophobicContact CD1-CG1 3.57Å; Y40-I48 HydrophobicContact CE1-CD1 4.42Å; Y40-I48 HydrophobicContact CE1-CG1 4.07Å; Y40-I48 HydrophobicContact CG-CG1 4.48Å; Y40-I50 HydrophobicContact CD1-CD1 4.24Å; Y40-I50 HydrophobicContact CD1-CG1 4.48Å; Y40-I50 HydrophobicContact CE1-CB 4.2Å; Y40-I50 HydrophobicContact CE1-CD1 4.14Å; Y40-I50 HydrophobicContact CE1-CG1 3.96Å; Y40-I50 PolarHBondContact OH-N 2.86Å
41N97.3Very high95.8Very high31 Ų3158.5 Ų58.517%0.16632%0.316CS..  trans-60.2125.2163.4-173.3-25.9000108.8W28 M29 S43 L44 K45W28-N41 HydrophobicContact CE3-CB 3.92Å; W28-N41 HydrophobicContact CZ3-CB 4.02Å; W28-N41 VanDerWaalsContact CZ3-N 3.32Å; W28-N41 VanDerWaalsContact O-CB 3.31Å; W28-N41 WeakPolarHBondContact O-CB 3.44Å; W28-N41 PolarHBondContact O-ND2 2.99Å; M29-N41 WeakPolarHBondContact O-CB 3.39Å; M29-N41 PolarHBondContact O-N 3.25Å; N41-S43 VanDerWaalsContact CG-OG 3.3Å; N41-S43 PolarHBondContact O-N 2.75Å; N41-S43 VanDerWaalsContact O-N 3.1Å; N41-S43 PolarHBondContact OD1-N 3.08Å; N41-S43 VanDerWaalsContact OD1-N 3.16Å; N41-S43 PolarHBondContact OD1-OG 3Å; N41-L44 HydrophobicContact CB-CB 4.4Å; N41-L44 HydrophobicContact CB-CD1 4.32Å; N41-L44 CarbonylContact O-C 3.6Å; N41-L44 PolarHBondContact O-N 2.82Å; N41-K45 PolarHBondContact O-N 2.8Å
42P96.8Very high95.8Very high111 Ų11159.3 Ų59.372%0.72132%0.319SS*.THydrogen-bonded Turntrans-52.1-33.7-179.6-29.335.9000114.1Y40 L44Y40-P42 WeakPolarHBondContact O-CD 3.5Å; P42-L44 PolarHBondContact O-N 2.8Å
43S94.3Very high95.7Very high78 Ų7860.8 Ų60.855%0.54533%0.327SS..THydrogen-bonded Turntrans-67-24177.764.80000113.4N41N41-S43 VanDerWaalsContact CG-OG 3.3Å; N41-S43 PolarHBondContact O-N 2.75Å; N41-S43 VanDerWaalsContact O-N 3.1Å; N41-S43 PolarHBondContact OD1-N 3.08Å; N41-S43 VanDerWaalsContact OD1-N 3.16Å; N41-S43 PolarHBondContact OD1-OG 3Å
44L95.6Very high95.7Very high6 Ų664.5 Ų64.53%0.03135%0.35CS..THydrogen-bonded Turntrans-112.1-11.2-173.8-63.8173.4000113.4M29 N41 P42 N46 R47 I48M29-L44 HydrophobicContact CB-CD1 4.07Å; M29-L44 HydrophobicContact CE-CD1 4.02Å; M29-L44 HydrophobicContact CG-CD1 3.9Å; N41-L44 HydrophobicContact CB-CB 4.4Å; N41-L44 HydrophobicContact CB-CD1 4.32Å; N41-L44 CarbonylContact O-C 3.6Å; N41-L44 PolarHBondContact O-N 2.82Å; P42-L44 PolarHBondContact O-N 2.8Å; L44-N46 PolarHBondContact O-N 2.84Å; L44-R47 WeakPolarHBondContact O-CA 3.43Å; L44-R47 PolarHBondContact O-N 2.9Å; L44-I48 HydrophobicContact CB-CD1 3.83Å; L44-I48 HydrophobicContact CB-CG1 4.14Å; L44-I48 HydrophobicContact CB-CG2 4.18Å; L44-I48 WeakPolarHBondContact O-CG1 3.29Å; L44-I48 PolarHBondContact O-N 3.07Å
45K94.1Very high95.9Very high132 Ų13264.1 Ų64.157%0.57436%0.363SS*.THydrogen-bonded Turntrans-49.1-35.6-170.6-175.2175.3179.8179.10114.8Y40 N41Y40-K45 HydrophobicContact CD2-CG 4.29Å; Y40-K45 HydrophobicContact CG-CG 4.44Å; N41-K45 PolarHBondContact O-N 2.8Å
46N95.4Very high96.1Very high156 Ų15665.7 Ų65.783%0.83437%0.365SS*.THydrogen-bonded Turntrans-87.3-8.6-179.2-63.2-25000113.7L44L44-N46 PolarHBondContact O-N 2.84Å
47R96.3Very high96.2Very high61 Ų6166.1 Ų66.123%0.2336%0.362CS..THydrogen-bonded Turntrans-109.4-22.9-175.9-64.9-168.358.4-157.5-17.9113.1L44 L63 N64 S65 D70L44-R47 WeakPolarHBondContact O-CA 3.43Å; L44-R47 PolarHBondContact O-N 2.9Å; R47-L63 HydrophobicContact CB-CD1 4.22Å; R47-N64 PolarHBondContact NE-O 2.76Å; R47-N64 PolarHBondContact NH2-O 3.33Å; R47-N64 WeakPolarHBondContact O-CB 3.36Å; R47-N64 PolarHBondContact O-N 2.79Å; R47-S65 PolarHBondContact NH2-O 3.23Å; R47-D70 IonicContact CZ-OD1 3.08Å; R47-D70 IonicContact CZ-OD2 2.67Å; R47-D70 IonicContact NH1-OD1 3.47Å; R47-D70 IonicContact NH1-OD2 2.67Å; R47-D70 PolarHBondContact NH1-OD2 3.07Å; R47-D70 IonicContact NH2-OD1 2.69Å; R47-D70 IonicContact NH2-OD2 3.37Å; R47-D70 PolarHBondContact NH2-OD2 3.42Å
48I97.4Very high96.3Very high9 Ų965.6 Ų65.65%0.04635%0.353CS..EExtended strand (participates in β ladder)trans-113.9152.2-175.968.9177.3000112.7M29 Y40 L44 L61 K62 L63M29-I48 HydrophobicContact CB-CD1 4.06Å; M29-I48 HydrophobicContact CE-CG2 3.88Å; M29-I48 WeakPolarHBondContact O-CD1 3.43Å; Y40-I48 HydrophobicContact CD1-CD1 3.65Å; Y40-I48 HydrophobicContact CD1-CG1 3.57Å; Y40-I48 HydrophobicContact CE1-CD1 4.42Å; Y40-I48 HydrophobicContact CE1-CG1 4.07Å; Y40-I48 HydrophobicContact CG-CG1 4.48Å; L44-I48 HydrophobicContact CB-CD1 3.83Å; L44-I48 HydrophobicContact CB-CG1 4.14Å; L44-I48 HydrophobicContact CB-CG2 4.18Å; L44-I48 WeakPolarHBondContact O-CG1 3.29Å; L44-I48 PolarHBondContact O-N 3.07Å; I48-L61 HydrophobicContact CB-CD1 4.02Å; I48-L61 HydrophobicContact CG2-CD1 4.24Å; I48-K62 CarbonylContact C-O 3.51Å; I48-K62 VanDerWaalsContact CA-O 3.24Å; I48-K62 WeakPolarHBondContact CA-O 3.41Å; I48-L63 HydrophobicContact CG2-CB 4.48Å; I48-L63 HydrophobicContact CG2-CD1 3.48Å; I48-L63 VanDerWaalsContact CG2-CD1 3.48Å
49S97.6Very high96.3Very high40 Ų4062.4 Ų62.428%0.2834%0.336SS..EExtended strand (participates in β ladder)trans-135.2131.1167.9177.60000108.5K62S49-K62 PolarHBondContact N-O 3.49Å; S49-K62 PolarHBondContact O-N 3.33Å
50I97.7Very high96.4Very high2 Ų260.8 Ų60.81%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-112.8122.9176.7-58.5169.6000107.8G30 I32 Y40 F60 L61G30-I50 VanDerWaalsContact CA-CD1 3.48Å; I32-I50 HydrophobicContact CB-CG2 3.69Å; I32-I50 HydrophobicContact CG2-CG2 3.66Å; Y40-I50 HydrophobicContact CD1-CD1 4.24Å; Y40-I50 HydrophobicContact CD1-CG1 4.48Å; Y40-I50 HydrophobicContact CE1-CB 4.2Å; Y40-I50 HydrophobicContact CE1-CD1 4.14Å; Y40-I50 HydrophobicContact CE1-CG1 3.96Å; Y40-I50 PolarHBondContact OH-N 2.86Å; I50-F60 VanDerWaalsContact CA-O 3.29Å; I50-F60 WeakPolarHBondContact CA-O 3.45Å; I50-L61 HydrophobicContact CG1-CD1 4Å
51T97Very high96.4Very high67 Ų6760.7 Ų60.741%0.41133%0.327SS..EExtended strand (participates in β ladder)trans-134172.2-177.264.30000110.8F59 F60T51-F59 CarbonylContact O-C 3.51Å; T51-F59 WeakPolarHBondContact O-CA 3.15Å; T51-F59 WeakPolarHBondContact O-CB 3.06Å; T51-F60 PolarHBondContact N-O 2.84Å; T51-F60 VanDerWaalsContact N-O 3.07Å; T51-F60 PolarHBondContact O-N 3.2Å
52R95.8Very high96.4Very high73 Ų7365.4 Ų65.428%0.27535%0.346SS..EExtended strand (participates in β ladder)trans-143.6153.1-179.365.3-174-178.6166.611.6112.4I9 I32 S33 Y34 D35 G36 T54 Q58 F59I9-R52 HydrophobicContact CD1-CB 4.03Å; I32-R52 HydrophobicContact CD1-CB 4.06Å; I32-R52 HydrophobicContact CD1-CG 3.83Å; S33-R52 PolarHBondContact O-NH1 3.04Å; Y34-R52 PolarHBondContact O-NH1 2.79Å; Y34-R52 PolarHBondContact O-NH2 2.83Å; D35-R52 PolarHBondContact O-NH2 2.92Å; D35-R52 VanDerWaalsContact O-NH2 3.07Å; G36-R52 VanDerWaalsContact N-NH1 3.19Å; G36-R52 VanDerWaalsContact N-NH2 3.11Å; R52-T54 HydrophobicContact CG-CG2 4.49Å; R52-Q58 CarbonylContact C-O 3.55Å; R52-Q58 WeakPolarHBondContact CA-O 3.17Å; R52-F59 HydrophobicContact CB-CB 4.21Å
53D96Very high96.4Very high37 Ų3761.7 Ų61.720%0.19832%0.32CS..EExtended strand (participates in β ladder)trans-125.999.3170.2-176.3-14.6000107.5S55 K56 N57 Q58 F60D53-S55 VanDerWaalsContact C-N 3.25Å; D53-S55 PolarHBondContact O-N 3.19Å; D53-S55 WeakPolarHBondContact OD1-CB 3.24Å; D53-S55 PolarHBondContact OD1-N 2.93Å; D53-S55 PolarHBondContact OD1-OG 3.39Å; D53-K56 HydrophobicContact CB-CB 4.37Å; D53-K56 PolarHBondContact O-N 2.95Å; D53-K56 PolarHBondContact OD1-N 2.99Å; D53-K56 WeakPolarHBondContact OD2-CD 2.86Å; D53-K56 WeakPolarHBondContact OD2-CG 3.45Å; D53-K56 IonicContact OD2-NZ 3.97Å; D53-K56 PolarHBondContact OD2-NZ 3.45Å; D53-N57 PolarHBondContact O-N 3.09Å; D53-N57 VanDerWaalsContact O-N 3.09Å; D53-Q58 PolarHBondContact N-O 2.94Å; D53-Q58 PolarHBondContact O-N 3.42Å; D53-F60 HydrophobicContact CB-CE2 3.65Å; D53-F60 HydrophobicContact CB-CZ 4.08Å
54T95.1Very high96.5Very high80 Ų8061.1 Ų61.149%0.49131%0.311SS..THydrogen-bonded Turntrans-69.6-25-177.555.20000112.2I9 T10 R52 K56 N57I9-T54 HydrophobicContact CD1-CG2 4.3Å; T10-T54 HydrophobicContact CG2-CG2 3.44Å; T10-T54 VanDerWaalsContact CG2-CG2 3.44Å; R52-T54 HydrophobicContact CG-CG2 4.49Å; T54-K56 VanDerWaalsContact C-N 3.25Å; T54-K56 PolarHBondContact O-N 3.34Å; T54-N57 PolarHBondContact O-N 2.83Å
55S95.8Very high96.4Very high103 Ų10365.7 Ų65.772%0.7234%0.343SS*.THydrogen-bonded Turntrans-69.1-27.4175.876.20000112.3D53D53-S55 VanDerWaalsContact C-N 3.25Å; D53-S55 PolarHBondContact O-N 3.19Å; D53-S55 WeakPolarHBondContact OD1-CB 3.24Å; D53-S55 PolarHBondContact OD1-N 2.93Å; D53-S55 PolarHBondContact OD1-OG 3.39Å
56K96.9Very high96.4Very high127 Ų12764.1 Ų64.155%0.55235%0.345SS*.THydrogen-bonded Turntrans-104-0.5179-61.2-166.2-172.298.30114.2D53 T54 Q58D53-K56 HydrophobicContact CB-CB 4.37Å; D53-K56 PolarHBondContact O-N 2.95Å; D53-K56 PolarHBondContact OD1-N 2.99Å; D53-K56 WeakPolarHBondContact OD2-CD 2.86Å; D53-K56 WeakPolarHBondContact OD2-CG 3.45Å; D53-K56 IonicContact OD2-NZ 3.97Å; D53-K56 PolarHBondContact OD2-NZ 3.45Å; T54-K56 VanDerWaalsContact C-N 3.25Å; T54-K56 PolarHBondContact O-N 3.34Å; K56-Q58 HydrophobicContact CB-CB 4.27Å; K56-Q58 HydrophobicContact CB-CG 4.13Å; K56-Q58 WeakPolarHBondContact O-CG 3.45Å; K56-Q58 PolarHBondContact O-N 2.82Å
57N95.9Very high96.4Very high35 Ų3559.4 Ų59.419%0.18732%0.321CS..THydrogen-bonded Turntrans53.543-173.5-155.540.3000112.9V4 Y7 S8 I9 D53 T54V4-N57 PolarHBondContact N-O 3.34Å; V4-N57 VanDerWaalsContact N-O 3.08Å; V4-N57 PolarHBondContact O-ND2 3.09Å; Y7-N57 PolarHBondContact O-ND2 3.2Å; S8-N57 WeakPolarHBondContact CA-OD1 3.17Å; I9-N57 WeakPolarHBondContact CG2-OD1 3.05Å; I9-N57 PolarHBondContact N-OD1 3.06Å; D53-N57 PolarHBondContact O-N 3.09Å; D53-N57 VanDerWaalsContact O-N 3.09Å; T54-N57 PolarHBondContact O-N 2.83Å
58Q97.1Very high96.4Very high43 Ų4362.3 Ų62.320%0.20135%0.346CS..EExtended strand (participates in β ladder)trans-125.5149.1-174.7-78.1173-7.600112.5T1 C2 S3 I9 R52 D53 K56 F60T1-Q58 HydrophobicContact CG2-CG 4.44Å; C2-Q58 VanDerWaalsContact O-CA 3.31Å; C2-Q58 WeakPolarHBondContact O-CA 3.33Å; S3-Q58 PolarHBondContact OG-NE2 2.75Å; I9-Q58 WeakPolarHBondContact CD1-O 3.2Å; R52-Q58 CarbonylContact C-O 3.55Å; R52-Q58 WeakPolarHBondContact CA-O 3.17Å; D53-Q58 PolarHBondContact N-O 2.94Å; D53-Q58 PolarHBondContact O-N 3.42Å; K56-Q58 HydrophobicContact CB-CB 4.27Å; K56-Q58 HydrophobicContact CB-CG 4.13Å; K56-Q58 WeakPolarHBondContact O-CG 3.45Å; K56-Q58 PolarHBondContact O-N 2.82Å; Q58-F60 HydrophobicContact CB-CE1 4.34Å; Q58-F60 HydrophobicContact CB-CE2 3.93Å; Q58-F60 HydrophobicContact CB-CZ 3.61Å
59F96Very high96.2Very high1 Ų168.7 Ų68.70%0.00438%0.376CS..EExtended strand (participates in β ladder)trans-132.5155.7165.967.8-80.1000111.6C2 V4 I9 W15 W17 I32 T51 R52 C76C2-F59 HydrophobicContact CB-CD1 3.97Å; C2-F59 HydrophobicContact CB-CD2 4.37Å; C2-F59 HydrophobicContact CB-CE1 3.6Å; C2-F59 HydrophobicContact CB-CE2 4.02Å; C2-F59 HydrophobicContact CB-CG 4.37Å; C2-F59 HydrophobicContact CB-CZ 3.66Å; C2-F59 PolarHBondContact N-O 3.29Å; C2-F59 PolarHBondContact O-N 3.17Å; C2-F59 VanDerWaalsContact SG-CE1 3.53Å; V4-F59 HydrophobicContact CG2-CD1 4.31Å; V4-F59 HydrophobicContact CG2-CE1 3.9Å; I9-F59 HydrophobicContact CG2-CD1 4.25Å; W15-F59 HydrophobicContact CB-CD1 4.11Å; W15-F59 HydrophobicContact CB-CD2 3.98Å; W15-F59 HydrophobicContact CB-CE1 3.88Å; W15-F59 HydrophobicContact CB-CE2 3.76Å; W15-F59 HydrophobicContact CB-CG 4.13Å; W15-F59 HydrophobicContact CB-CZ 3.66Å; W15-F59 HydrophobicContact CD2-CD1 4.3Å; W15-F59 AromaticContact CD2-CE1 3.8Å; W15-F59 HydrophobicContact CD2-CE1 3.8Å; W15-F59 HydrophobicContact CD2-CZ 4.22Å; W15-F59 HydrophobicContact CE3-CD1 4.42Å; W15-F59 AromaticContact CE3-CE1 3.51Å; W15-F59 HydrophobicContact CE3-CE1 3.51Å; W15-F59 AromaticContact CE3-CZ 3.79Å; W15-F59 HydrophobicContact CE3-CZ 3.79Å; W15-F59 HydrophobicContact CG-CD1 4.17Å; W15-F59 AromaticContact CG-CE1 3.97Å; W15-F59 HydrophobicContact CG-CE1 3.97Å; W15-F59 HydrophobicContact CG-CZ 4.21Å; W15-F59 HydrophobicContact CZ3-CE1 4.3Å; W17-F59 HydrophobicContact CD2-CE2 4.4Å; W17-F59 AromaticContact CE2-CD2 3.81Å; W17-F59 AromaticContact CE2-CE2 3.69Å; W17-F59 HydrophobicContact CZ2-CD2 4.05Å; W17-F59 HydrophobicContact CZ2-CE2 4Å; W17-F59 AromaticContact NE1-CD2 3.29Å; W17-F59 VanDerWaalsContact NE1-CD2 3.29Å; W17-F59 AromaticContact NE1-CE2 3.46Å; I32-F59 HydrophobicContact CG2-CB 4.23Å; I32-F59 HydrophobicContact CG2-CD2 4.48Å; T51-F59 CarbonylContact O-C 3.51Å; T51-F59 WeakPolarHBondContact O-CA 3.15Å; T51-F59 WeakPolarHBondContact O-CB 3.06Å; R52-F59 HydrophobicContact CB-CB 4.21Å; F59-C76 HydrophobicContact CE1-CB 4.42Å; F59-C76 HydrophobicContact CE2-CB 3.86Å; F59-C76 HydrophobicContact CZ-CB 3.5Å; F59-C76 VanDerWaalsContact CZ-CB 3.5Å
60F97.6Very high96Very high48 Ų4867 Ų6721%0.21136%0.364CS..EExtended strand (participates in β ladder)trans-131.7143.9-163-51-91.6000110.2T1 I50 T51 D53 Q58T1-F60 HydrophobicContact CG2-CD1 3.64Å; T1-F60 HydrophobicContact CG2-CE1 3.39Å; T1-F60 HydrophobicContact CG2-CZ 4.31Å; T1-F60 WeakPolarHBondContact OG1-CD1 3.45Å; I50-F60 VanDerWaalsContact CA-O 3.29Å; I50-F60 WeakPolarHBondContact CA-O 3.45Å; T51-F60 PolarHBondContact N-O 2.84Å; T51-F60 VanDerWaalsContact N-O 3.07Å; T51-F60 PolarHBondContact O-N 3.2Å; D53-F60 HydrophobicContact CB-CE2 3.65Å; D53-F60 HydrophobicContact CB-CZ 4.08Å; Q58-F60 HydrophobicContact CB-CE1 4.34Å; Q58-F60 HydrophobicContact CB-CE2 3.93Å; Q58-F60 HydrophobicContact CB-CZ 3.61Å
61L98.1Very high96Very high34 Ų3471.5 Ų71.518%0.17839%0.391CS..EExtended strand (participates in β ladder)trans-113.7122164.9174.269000106.9W17 M29 I48 I50 Y74W17-L61 HydrophobicContact CB-CD2 4.37Å; W17-L61 HydrophobicContact CD2-CB 3.6Å; W17-L61 HydrophobicContact CD2-CD2 4.04Å; W17-L61 HydrophobicContact CD2-CG 4.36Å; W17-L61 VanDerWaalsContact CE2-CB 3.47Å; W17-L61 HydrophobicContact CE3-CB 4.13Å; W17-L61 HydrophobicContact CE3-CD2 4.02Å; W17-L61 HydrophobicContact CG-CB 3.9Å; W17-L61 HydrophobicContact CG-CD1 4.37Å; W17-L61 HydrophobicContact CG-CD2 4.2Å; W17-L61 HydrophobicContact CG-CG 4.39Å; W17-L61 HydrophobicContact CH2-CB 4.44Å; W17-L61 HydrophobicContact CZ2-CB 3.94Å; M29-L61 HydrophobicContact CE-CD1 4.2Å; M29-L61 HydrophobicContact CE-CD2 3.79Å; M29-L61 HydrophobicContact SD-CD2 3.73Å; I48-L61 HydrophobicContact CB-CD1 4.02Å; I48-L61 HydrophobicContact CG2-CD1 4.24Å; I50-L61 HydrophobicContact CG1-CD1 4Å; L61-Y74 HydrophobicContact CD2-CD1 3.85Å; L61-Y74 HydrophobicContact CD2-CE1 4.15Å
62K97.8Very high96Very high131 Ų13169.5 Ų69.557%0.5738%0.381SS*.EExtended strand (participates in β ladder)trans-105.2119.1166-175.6179.4179.5-179.70107.6I48 S49 N64I48-K62 CarbonylContact C-O 3.51Å; I48-K62 VanDerWaalsContact CA-O 3.24Å; I48-K62 WeakPolarHBondContact CA-O 3.41Å; S49-K62 PolarHBondContact N-O 3.49Å; S49-K62 PolarHBondContact O-N 3.33Å; K62-N64 VanDerWaalsContact CE-OD1 3.29Å; K62-N64 WeakPolarHBondContact CE-OD1 3.5Å
63L96.8Very high96.1Very high33 Ų3369.6 Ų69.617%0.17339%0.39CS..EExtended strand (participates in β ladder)trans-109.1124.2173.9175.364000108.6R47 I48 V66 D70 Y74R47-L63 HydrophobicContact CB-CD1 4.22Å; I48-L63 HydrophobicContact CG2-CB 4.48Å; I48-L63 HydrophobicContact CG2-CD1 3.48Å; I48-L63 VanDerWaalsContact CG2-CD1 3.48Å; L63-V66 HydrophobicContact CD2-CG2 4.07Å; L63-V66 HydrophobicContact CG-CG2 4.01Å; L63-D70 HydrophobicContact CD2-CB 4.09Å; L63-Y74 HydrophobicContact CD2-CE1 4.46Å; L63-Y74 WeakPolarHBondContact CD2-OH 3.26Å
64N96Very high96.2Very high66 Ų6671.5 Ų71.535%0.35340%0.395SS..  trans-97.9154179.1-60.4-42.7000111R47 K62 V66R47-N64 PolarHBondContact NE-O 2.76Å; R47-N64 PolarHBondContact NH2-O 3.33Å; R47-N64 WeakPolarHBondContact O-CB 3.36Å; R47-N64 PolarHBondContact O-N 2.79Å; K62-N64 VanDerWaalsContact CE-OD1 3.29Å; K62-N64 WeakPolarHBondContact CE-OD1 3.5Å; N64-V66 PolarHBondContact O-N 3.06Å
65S93.5Very high96.3Very high101 Ų10172.5 Ų72.571%0.70639%0.391SS*.SBendtrans54.647.7175-50.50000113.3R47 T67R47-S65 PolarHBondContact NH2-O 3.23Å; S65-T67 PolarHBondContact O-N 3.25Å
66V95.4Very high96.3Very high100 Ų10070.1 Ų70.161%0.60637%0.374SS*.  trans-58.3128.7-176.1-177.20000110.8L63 N64 D70L63-V66 HydrophobicContact CD2-CG2 4.07Å; L63-V66 HydrophobicContact CG-CG2 4.01Å; N64-V66 PolarHBondContact O-N 3.06Å; V66-D70 WeakPolarHBondContact CA-OD2 3.44Å; V66-D70 HydrophobicContact CG1-CB 4.07Å
67T95.4Very high96.2Very high56 Ų5665.7 Ų65.734%0.34436%0.361SS..  trans-115.8174.9175.271.10000110.7S65 E69 D70S65-T67 PolarHBondContact O-N 3.25Å; T67-E69 PolarHBondContact O-N 3.11Å; T67-E69 PolarHBondContact OG1-N 3.3Å; T67-E69 PolarHBondContact OG1-OE2 3.43Å; T67-D70 PolarHBondContact N-OD2 2.47Å; T67-D70 WeakPolarHBondContact O-CB 3.22Å; T67-D70 PolarHBondContact O-N 2.9Å; T67-D70 VanDerWaalsContact O-N 3.09Å
68T95.6Very high95.9Very high123 Ų12369.4 Ų69.476%0.75538%0.38SS*.G310 helixtrans-59.5-28.4173.446.70000112.8D70 T71T68-D70 PolarHBondContact O-N 3.03Å; T68-T71 WeakPolarHBondContact O-CB 3.46Å; T68-T71 PolarHBondContact O-N 3.25Å; T68-T71 VanDerWaalsContact O-N 3.16Å; T68-T71 PolarHBondContact O-OG1 3.34Å
69E92.3Very high95.8Very high142 Ų14270.8 Ų70.866%0.66439%0.389SS*.G310 helixtrans-69.3-15.8178.4-59140.5160.500112.3F21 T67 T71F21-E69 VanDerWaalsContact CE1-O 3.28Å; F21-E69 WeakPolarHBondContact CE1-O 3.39Å; T67-E69 PolarHBondContact O-N 3.11Å; T67-E69 PolarHBondContact OG1-N 3.3Å; T67-E69 PolarHBondContact OG1-OE2 3.43Å; E69-T71 VanDerWaalsContact C-N 3.3Å
70D95.1Very high95.8Very high5 Ų574.4 Ų74.43%0.02741%0.409CS..G310 helixtrans-86.6-1.2176.1-60.6-53.7000112.7R19 R47 L63 V66 T67 T68 A72 Y74R19-D70 IonicContact CZ-OD1 3.99Å; R19-D70 IonicContact NH1-OD1 3.71Å; R19-D70 PolarHBondContact NH1-OD1 2.86Å; R19-D70 IonicContact NH2-OD1 3.54Å; R47-D70 IonicContact CZ-OD1 3.08Å; R47-D70 IonicContact CZ-OD2 2.67Å; R47-D70 IonicContact NH1-OD1 3.47Å; R47-D70 IonicContact NH1-OD2 2.67Å; R47-D70 PolarHBondContact NH1-OD2 3.07Å; R47-D70 IonicContact NH2-OD1 2.69Å; R47-D70 IonicContact NH2-OD2 3.37Å; R47-D70 PolarHBondContact NH2-OD2 3.42Å; L63-D70 HydrophobicContact CD2-CB 4.09Å; V66-D70 WeakPolarHBondContact CA-OD2 3.44Å; V66-D70 HydrophobicContact CG1-CB 4.07Å; T67-D70 PolarHBondContact N-OD2 2.47Å; T67-D70 WeakPolarHBondContact O-CB 3.22Å; T67-D70 PolarHBondContact O-N 2.9Å; T67-D70 VanDerWaalsContact O-N 3.09Å; T68-D70 PolarHBondContact O-N 3.03Å; D70-A72 PolarHBondContact O-N 2.73Å; D70-Y74 PolarHBondContact O-OH 3.07Å
71T96.2Very high95.7Very high96 Ų9675.9 Ų75.959%0.58942%0.42SS*.  trans-64.1104.7179.1-53.20000110.5T68 E69T68-T71 WeakPolarHBondContact O-CB 3.46Å; T68-T71 PolarHBondContact O-N 3.25Å; T68-T71 VanDerWaalsContact O-N 3.16Å; T68-T71 PolarHBondContact O-OG1 3.34Å; E69-T71 VanDerWaalsContact C-N 3.3Å
72A97.3Very high95.6Very high25 Ų2578.4 Ų78.421%0.20743%0.434CS..SBendtrans-156.7162.5-175.700000110.4R19 Q20 F21 D70 Y74R19-A72 HydrophobicContact CB-CB 3.87Å; R19-A72 HydrophobicContact CG-CB 4.33Å; Q20-A72 CarbonylContact O-C 3.5Å; Q20-A72 VanDerWaalsContact O-CA 3.29Å; Q20-A72 WeakPolarHBondContact O-CA 2.86Å; Q20-A72 VanDerWaalsContact O-CB 3.27Å; Q20-A72 WeakPolarHBondContact O-CB 3.07Å; F21-A72 HydrophobicContact CD1-CB 4Å; F21-A72 HydrophobicContact CE1-CB 4.16Å; D70-A72 PolarHBondContact O-N 2.73Å; A72-Y74 HydrophobicContact CB-CE2 4.23Å; A72-Y74 WeakPolarHBondContact O-CD2 3.41Å; A72-Y74 WeakPolarHBondContact O-CE2 3.5Å
73T98.1Very high95.4Very high76 Ų7675.1 Ų75.147%0.46643%0.425SS..EExtended strand (participates in β ladder)trans-82.4128.7164.2-56.80000108.8R19 Q20 Y75R19-T73 CarbonylContact C-O 3.56Å; R19-T73 VanDerWaalsContact CA-O 3.31Å; R19-T73 WeakPolarHBondContact CA-O 3.5Å; Q20-T73 PolarHBondContact N-O 2.69Å; Q20-T73 PolarHBondContact O-N 2.58Å; T73-Y75 HydrophobicContact CG2-CD2 4.35Å; T73-Y75 HydrophobicContact CG2-CE1 3.85Å; T73-Y75 HydrophobicContact CG2-CE2 3.65Å; T73-Y75 WeakPolarHBondContact CG2-OH 3.48Å
74Y97.9Very high95.3Very high77 Ų7777.9 Ų77.930%0.30244%0.442SS..EExtended strand (participates in β ladder)trans-102.6124.4-178.5-68.3-100000110.5R19 M29 L61 L63 D70 A72R19-Y74 HydrophobicContact CB-CD1 3.86Å; R19-Y74 HydrophobicContact CB-CE1 3.9Å; R19-Y74 HydrophobicContact CB-CG 4.38Å; M29-Y74 HydrophobicContact CE-CD1 4.49Å; M29-Y74 HydrophobicContact CE-CE1 3.89Å; M29-Y74 HydrophobicContact SD-CD1 3.73Å; M29-Y74 HydrophobicContact SD-CE1 3.62Å; L61-Y74 HydrophobicContact CD2-CD1 3.85Å; L61-Y74 HydrophobicContact CD2-CE1 4.15Å; L63-Y74 HydrophobicContact CD2-CE1 4.46Å; L63-Y74 WeakPolarHBondContact CD2-OH 3.26Å; D70-Y74 PolarHBondContact O-OH 3.07Å; A72-Y74 HydrophobicContact CB-CE2 4.23Å; A72-Y74 WeakPolarHBondContact O-CD2 3.41Å; A72-Y74 WeakPolarHBondContact O-CE2 3.5Å
75Y97.8Very high95.3Very high100 Ų10078.7 Ų78.739%0.39245%0.449SS..EExtended strand (participates in β ladder)trans-112.5140.5179.9-59.6-80.8000110.4I18 Q20 T73I18-Y75 PolarHBondContact N-O 3.29Å; I18-Y75 PolarHBondContact O-N 3.07Å; Q20-Y75 HydrophobicContact CB-CD2 4.24Å; Q20-Y75 HydrophobicContact CB-CE2 3.59Å; Q20-Y75 HydrophobicContact CG-CE2 4.48Å; Q20-Y75 PolarHBondContact OE1-OH 2.69Å; T73-Y75 HydrophobicContact CG2-CD2 4.35Å; T73-Y75 HydrophobicContact CG2-CE1 3.85Å; T73-Y75 HydrophobicContact CG2-CE2 3.65Å; T73-Y75 WeakPolarHBondContact CG2-OH 3.48Å
76C95.5Very high95.4Very high54 Ų5477 Ų7737%0.36543%0.429SS..EExtended strand (participates in β ladder)trans-100.9136.9161.357.10000109.6C2 N16 W17 F59C2-C76 HydrophobicContact CB-CB 3.38Å; C2-C76 WeakPolarHBondContact CB-SG 3.31Å; C2-C76 WeakPolarHBondContact SG-CB 3.21Å; C2-C76 CovalentContact SG-SG 2.04Å; C2-C76 PolarHBondContact SG-SG 2.75Å; N16-C76 WeakPolarHBondContact O-CA 3.41Å; W17-C76 HydrophobicContact CE3-CB 4.32Å; W17-C76 HydrophobicContact CH2-CB 4.08Å; W17-C76 HydrophobicContact CZ2-CB 4.38Å; W17-C76 HydrophobicContact CZ3-CB 4.05Å; F59-C76 HydrophobicContact CE1-CB 4.42Å; F59-C76 HydrophobicContact CE2-CB 3.86Å; F59-C76 HydrophobicContact CZ-CB 3.5Å; F59-C76 VanDerWaalsContact CZ-CB 3.5Å
77A94.1Very high95.4Very high34 Ų3475.1 Ų75.128%0.28141%0.414SS..EExtended strand (participates in β ladder)trans-139.9158.4-176.400000110.9N16 I18N16-A77 HydrophobicContact CB-CB 4.39Å; N16-A77 PolarHBondContact N-O 2.66Å; N16-A77 PolarHBondContact O-N 3.04Å; I18-A77 HydrophobicContact CD1-CB 4.2Å
78I89.8Confident95.4Very high113 Ų11376.8 Ų76.858%0.57942%0.421SS*.  trans-103.30170.4-160.8173.8000109.6Y7 Y13 Y14 W15Y7-I78 HydrophobicContact CD1-CD1 4.15Å; Y7-I78 HydrophobicContact CE1-CD1 3.99Å; Y13-I78 HydrophobicContact CD2-CD1 3.36Å; Y13-I78 HydrophobicContact CD2-CG1 4.13Å; Y13-I78 HydrophobicContact CE2-CD1 4.1Å; Y13-I78 HydrophobicContact CG-CD1 3.7Å; Y13-I78 HydrophobicContact CG-CG1 3.93Å; Y14-I78 VanDerWaalsContact O-OXT 3.06Å; W15-I78 HydrophobicContact CD2-CG1 4.44Å; W15-I78 HydrophobicContact CE3-CB 4Å; W15-I78 HydrophobicContact CE3-CG1 4.11Å; W15-I78 HydrophobicContact CH2-CB 4.17Å; W15-I78 HydrophobicContact CH2-CD1 3.43Å; W15-I78 VanDerWaalsContact CH2-CD1 3.43Å; W15-I78 HydrophobicContact CH2-CG1 3.92Å; W15-I78 HydrophobicContact CZ2-CD1 3.73Å; W15-I78 HydrophobicContact CZ2-CG1 4.21Å; W15-I78 HydrophobicContact CZ3-CB 3.67Å; W15-I78 HydrophobicContact CZ3-CD1 3.88Å; W15-I78 HydrophobicContact CZ3-CG1 3.85Å

Retrieved 78 of 78 residues in 17.8 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).