Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKILPVPMLAAGLALLPSFAQAEFFADGKAGLELRNFYFNRDYRQPGASQSYSEEWAQGFLLRYESGYTEGLFGLGVDALGLLGVRLDSSPERSGSGLLPYSTSDRRAAHDYSSLGLTAKLRVSHSTLKIGTLMPRLPVVQFNDTRLHPQTFQGGLLEVNEIDGLALQFGQLRQVKQRDSTNAEDLGITRGNKRNVLAGRHPGSDRFDFAGGTYRWSERLSSSYHYANLEDFYRQHHLGVQHLLPLADDQSLKSDIRWARSTDEGGSR-VNNRALNALFTYRLGGHAFGLGYQRMSGDSGFAYLAGTDPYLVNFVQIGDFANKDERSWQLRYDYDFAAIGLPGLTFMSRYLRGEHIDLLDGGGRGKEWERDTDIAYLVQSGPLKNLGIKLRNGTFRSDFGNDIDETRLIVSYALPLW |
3SZV Chain:A ((18-401)) | ----------------------DLVEDSHASLELRNFYFNRDFR---------DEWAQGFLLRLESGFSEGTVGFGVDAIGLLGFKLDS-------------------QDDYAKLGLTAKARVSNSLLKVGALHFKSPLVSANDTRLLPELFRGALLDVQEIDGLTLRGAHLDRNKLNSSSDYQVFSANR------IGGR---SDAFDFAGGDYRLTPALTASLHQGRLKDIYRQTFAGLVHTLDLG--RSLKSDLRFARASEDGGFRELDNRAFGALFSLRLGAHAVAAGYQRISGDDPYPYIAGSDPYLVNFIQIGDFGNVDERSWQLRYDYDFGALGLPGLSFMSRYVSGDNV-ARGAANDGKEWERNTDLGYVVQSGPLKNLGVKWRNATVRSNFANDLDENRLILSYSLALW |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SZV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -37354 for 2793 contacts (-13.4/contact) +
2D Compatibility (PS) -35563 + (NN) 1691 + (LL) 1920
1D Compatibility (HY) -37600 + (ID) 10500
Total energy: -117406.0 ( -42.04 by residue)
QMean score : 0.237
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