Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIDIQKIRADFPILAQEINEKPLAYLDNAATSQKPKQVIEALTHYYEFDNANVHRGVHTLAARATDAYESARGKVAKFIHAREVAEIIFTRGTTSAINLVVDSYAEANIEAGDEIVISYLEHHSNLIPWQQLAKRKGAVLKYIELEEDGTISVEQAKKTIGEKTKIVALAHVSNVLGTITPIKEIAAIAHQFGAVILVDGAQAVPHMEVDVVDLDADFYAFSGHKMMAPTGIGALYGKRELLDAMEPTEFGGEMIDFVELYDSTWKELPWKFEAGTPIIGGAIALGAAIDYLAEVGLENIHAHEQALASYAMEEMSKIEGITIYGPK--DASKRCGLVTFNLEGAHPHDIATILDED-GVAIRAGHHCAQPLMKWLDVSSTARASFYIYNTKEEIDALIDGLKLTKEYFGL |
4Q76 Chain:A ((21-426)) | ----HRVRKDFRILHQEVNGSKLVYLDSAATSQKPAAVLDALQNYYEFYNSNVHRGIHYLSAKATDEFELARKKVARFINASDSREIVFTRNATEAINLVAYSWGLSNLKPGDEVILTVAEHHSCIVPWQIVSQKTGAVLKFVTLNEDEVPDINKLRELISPKTKLVAVHHVSNVLASSLPIEEIVVWAHDVGAKVLVDACQSVPHMVVDVQKLNADFLVASSHKMCGPTGIGFLYGKSDLLHSMPPFLGGGEMISDVFLDHSTYAEPPSRFEAGTPAIGEAIALGAAVDYLSGIGMPKIHEYEVEIGKYLYEKLSSLPDVRIYGPRPSESVHRGALCSFNVEGLHPTDLATFLDQQHGVAIRSGHHSAQPLHRYLGVNASARASLYFYNTKDDVDAFIVALADTVSFFN- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4Q76.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -265496 for 3563 contacts (-74.5/contact) +
2D Compatibility (PS) -43482 + (NN) -8726 + (LL) 716
1D Compatibility (HY) -40000 + (ID) 10600
Total energy: -367588.0 ( -103.17 by residue)
QMean score : 0.504
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