Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNTIVMQADKKLQEKIRTDLAQHHISNNNPYVVFSAKISGTTVLLYTSGKLVFQGSNASHIAQKYGYIEQKESCSSETQDIPIIGTDEVGNGSYFGGLAVVASFVTPKDHAYLKKLGVGDSKTLTDQK----IKQIAPLLEKAIPHKALLLSPQKYNQVVGPNNKHNAVSVKVALHNQAIFLLLQDGFEPEKIVIDAFTSSKNYQNYLKNEKNQFKQTITLEEKAENKYLAVAVSSIIARNLFLENLNKLSDDVGYKLPSGAGHQSDKVASQLLKAYGISSLEHCAKLHFANTKKAQALLK |
1IO2 Chain:A ((3-183)) | ----------------------------------------------------------------------------------IAGIDEAGRGPVIGPMVIAAVVVDENSLPKLEELKVRDSKKLTPKRREKLFNEILGVLDDYV---ILELPPDVIGSREGTLNEFEVENFAKALNSLKV--------KPDVIYADAADVDEERFARELGERLNFEAEVVAKHKADDIFPVVSAASILAKVTRDRAVEKLKEEYGE---IGSGYPSDPRTRAFLENYYREHGEFPPIVRKGWKTLKKIAEK |
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General information:
TITO was launched using:
| RESULT:
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Template: 1IO2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -53342 for 1451 contacts (-36.8/contact) +
2D Compatibility (PS) -19193 + (NN) -10490 + (LL) 6224
1D Compatibility (HY) -5600 + (ID) 2350
Total energy: -84751.0 ( -58.41 by residue)
QMean score : 0.448
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