Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDSRLLSGIGAGPDSGSYTDLNRLNQLKVGKDRDGEANIRKVAQEFESLFLNEMLKSMRSANEAL---GDGNFMNSQTTKQYQDMYDQQLSVSLSKNAGGIGLADVLVRQLSKMKQGSRGNGENPFARVAENGAGRWPSNPSAQAGKALPMPEAGRDDSKLLNQRRLALPGKLAERMLAGIVPSASPAASQMQSLGQDSYLPAQSYPAASRRGFSTDGVDSQGSRRIAQPPLARGKSMFASADEFIATMLPMAQKAAERIGVDARYLVAQAALETGWGKSIIRQQDGGSSHNLFGIKTGSRWDGASARALTTEYEGGKAVKEIAAFRSYSSFEQSFHDYVSFLQGNDRYQNALDSAANPERFMQELQRAGYATDPQYARKVAQIARQMQTYQAVAAAGTPPLG |
1IB2 Chain:A ((1-322)) | GRSRLLEDFRNNRYPNLQLREIAGHIMEFSQDQHGSRFIQLKLERATPAERQLVFNEILQAAYQLMVDVFGNYVIQKFFEFGSLEQKLALAERIRGHVLSLALQMYGCRVIQKALEFIPSDQQNEMVRELDGHVLKCVKDQ---------------NGNHVVQKCIECVQPQSLQFIIDAFKGQVFALST------------------------------HPYGCRVIQRILEH-----CLPDQTLPILEELHQHTEQLVQDQYGNYVIQHVLEHGRPEDKSKIVAEIRGN---------------VLVLSQHKFASNVVEKCVTHASRTERAVLIDEVCTMNDGPHSALYTMMKDQYANYVVQKMIDVAE------PGQRKIVMHKIRPHIA---------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1IB2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 40578 for 2621 contacts (15.5/contact) +
2D Compatibility (PS) -34303 + (NN) -10294 + (LL) 2688
1D Compatibility (HY) -5600 + (ID) 1650
Total energy: -8581.0 ( -3.27 by residue)
QMean score : 0.308
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