Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIDIQKIRADFPILAQEINEKPLAYLDNAATSQKPKQVIEALTHYYEFDNANVHRGVHTLAARATDAYESARGKVAKFIHAREVAEIIFTRGTTSAINLVVDSYAEANIEAGDEIVISYLEHHSNLIPWQQLAKRKGAVLKYIELEEDGTISVEQAKKTIGEKTKIVALAHVSNVLGTITPIKEIAAIAHQFGAVILVDGAQAVPHMEVDVVDLDADFYAFSGHKMMAPTGIGALYGKRELLDAMEPTEFGGEMIDFVELYDSTWKELPWKFEAGTPIIGGAIALGAAIDYLAEVGLENIHAHEQALASYAMEEMSKIEGITIYGPKDA-SKRCGLVTFNLEGAHPHDIATILDEDGVAIRAGHHCAQPLMKWLDVSSTARASFYIYNTKEEIDALIDGLKLTKEYFGL |
1T3I Chain:B ((13-413)) | ------VRQDFPILNQEINGHPLVYLDNAATSQKPRAVLEKLMHYYENDNANV---AHQLSVRATDAYEAVRNKVAKFINARSPREIVYTRNATEAINLVAYSWGMNNLKAGDEIITTVMEHHSNLVPWQMVAAKTGAVLKFVQLDEQESFDLEHFKTLLSEKTKLVTVVHISNTLGCVNPAEEIAQLAHQAGAKVLVDACQSAPHYPLDVQLIDCDWLVASGHKMCAPTGIGFLYGKEEILEAMPPFFGGGEMIAEVFFDHFTTGELPHKFEAGTPAIAEAIALGAAVDYLTDLGMENIHNYEVELTHYLWQGLGQIPQLRLYGPNPKHGDRAALASFNVAGLHASDVATMVDQDGIAIRSGHHCTQPLHRLFDASGSARASLYFYNTKEEIDLFLQSLQATIRFF-- |
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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) -261816 for 3577 contacts (-73.2/contact) +
2D Compatibility (PS) -42530 + (NN) -8455 + (LL) 700
1D Compatibility (HY) -36000 + (ID) 10900
Total energy: -359001.0 ( -100.36 by residue)
QMean score : 0.527
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