Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTLLDSYKLKQDFPILNQLVNDEPLIYLDNAATTQKPNQVLETLRAYYQNDNANVHRGVHTLAERATAQYETAREKARQFLNAKSSKEILFTRGTTTGLNWVA-KFAESILERGDEVLISIMEHHSNIIPWQQACERTGAKLVYAYLKDG-SLDLEDFYNKLSSKTKFVSLAHISNVLGCITPVKAIAERVHQVGAYMVVDGAQSAPHMAIDVQDLDCDFFALSGHKMLGPTGIGVLYGKESILDKMPPVEFGGEMIDFVYEQSATWKELPWKFEAGTPNIAGAIAFGEALDYLTDVGMDEIHQYEQSLVSYVLPKLQAIDGLTIYGPSDAESHVGVIA-FNLEGLHPHDVATAMDYEGVAVRAGHHCAQPLINHLGIHSAVRASFYFYNTKEDCDKLVDAIQKTKEFFNGTL |
1T3I Chain:B ((13-414)) | --------VRQDFPILNQEINGHPLVYLDNAATSQKPRAVLEKLMHYYENDNANV---AHQLSVRATDAYEAVRNKVAKFINARSPREIVYTRNATEAINLVAYSWGMNNLKAGDEIITTVMEHHSNLVPWQMVAAKTGAVLKFVQLDEQESFDLEHFKTLLSEKTKLVTVVHISNTLGCVNPAEEIAQLAHQAGAKVLVDACQSAPHYPLDVQLIDCDWLVASGHKMCAPTGIGFLYGKEEILEAMPPFFGGGEMIAEVFFDHFTTGELPHKFEAGTPAIAEAIALGAAVDYLTDLGMENIHNYEVELTHYLWQGLGQIPQLRLYGPNPKHGDRAALASFNVAGLHASDVATMVDQDGIAIRSGHHCTQPLHRLFDASGSARASLYFYNTKEEIDLFLQSLQATIRFFS--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1T3I.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -247349 for 3529 contacts (-70.1/contact) +
2D Compatibility (PS) -42246 + (NN) -8464 + (LL) 692
1D Compatibility (HY) -36000 + (ID) 10450
Total energy: -343817.0 ( -97.43 by residue)
QMean score : 0.523
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