Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTEKKYNKILIANRGEIACRIIKTARRMGISCVCVYSDADINSVHVRQADESKYIGPSPSCLSYLNIEKICEVAVETGVQAVHPGYGFLAENPDFPYALQKYNIDFIGPSAETIEVTANKITAKKAARKAGVNIVPGYMGKINDAAHAAQVAEEIGFPVMLKAASGGGGKGMRIVNSKKEIELAFTSAKNEAEKSFKDGSIFIEKYIELPRHIEIQIIADKYGNVVCLGERECSVQRNNQKIIEETPSPFISEKVRQEMYAQCVSLAKQAGYFSAGTIEFVADKDQNFYFLEVNTRLQVEHPVTEFVTGIDIVEEMIRTSCGEKLRFGQDDIRLTGSAIESRTCAEDPSKRFFPSSGRIKYY-----DKPNENDHVRVDDGVAAGSEISMFYDSMIAKVITYGKDRIEAISRMQKALSECYIGGVTNNIEFLESIFHHPNFVAAKLHTRFTLDHYPSGFHGDFVTEEYIKIFIFAGLYVH---------LENKEKYYDKPIDEVFVARINDNEHLVN-AKYQDNILTTIYNHNTYSVSGKWKSSYRLLCITINDDTNMTFKVEKQGSKYFIRHAGMQAECYIFKPHVAELSKLMLNNETEKASVDAVK---SPISGLLVKLHVNVGDQVETGQPLFVVEAMKMENIICAEAEMVIKNVLVQEGKNVQIGDVVLVLLS |
3N6R Chain:I ((2-678)) | -----FNKILIANRGEIACRVIKTARKMGISTVAIYSDADKQALHVQMADEAVHIGPPPANQSYIVIDKVMAAIRATGAQAVHPGYGFLSENSKFAEALEAEGVIFVGPPKGAIEAMGDKITSKKIAQEANVSTVPGYMGLIEDADEAVKISNQIGYPVMIKASA------MRIAWNDQEAREGFQSSKN--------DRIFIEKFVTQPRHIEIQVLCDSHGNGIYLGERECSIQRRNQKVVEEAPSPFLDEATRRAMGEQAVALAKAVGYASAGTVEFIVDGQKNFYFLEMNTRLQVEHPVTELITGVDLVEQMIRVAAGEPLSITQGDVKLTGWAIENRLYAEDPYRGFLPSIGRLTRYRPPAE------AAVRNDTGVYEGGEISMYYDPMIAKLCTWAPTRAAAIEAMRIALDSFEVEGIGHNLPFLSAVMDHPKFISGDMTTAFIAEEYPEGFEGVNLPETDLRRVAAAAAAMHRVAEIRRTRVSGRMDNHERRVGTEWVVTLQGADFPVTIAADHDGSTVSFDDGSSMRVTSDWTPGDQLANLMV-DGAPLVLKVGKISGGFRIRTRGADLKVHVRTPRQAELARLM----PEKLPPDTSKMLLCPMPGLIVKVDVEVGQEVQEGQALCTIEAMKMENILRAEKKGVVAKINASAGNSLAVDDVIMEFE- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3N6R.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -370550 for 5218 contacts (-71.0/contact) +
2D Compatibility (PS) -67207 + (NN) -12600 + (LL) 228
1D Compatibility (HY) -46000 + (ID) 14250
Total energy: -510379.0 ( -97.81 by residue)
QMean score : 0.421
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