Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MYNNLRDFIEALEKKRDLIRIKKEVSTILEMTEIHRRVSLNKGPAIIFENVVTENGKSVIPVLVNLFGTIERIAFGLNISPGELRDLGKLLAFLQSPEPPKNLKDVIKMFPLLKVVLSMRSKIVNKAPCQEVVLTGDDVDLSLLPIQTCWPNEPAPLITWPIVITKGPTEDKQDNFNLGIYRMQVMDKKTTLMRWLAHRGGASHHKRWKENGRSIKFPAAAVIGSDPATLIAAVTP-VPETLSEYQFAGLLRKKPLELVNCKTISLQVPAHAEIVLEGYVSLDSYR---------------NEGPYGDHTGYYNSVEQFPEFNITAITMRKNPIYLSTFTGKPPDEPSILGEALNEIFVPILINQFPEIVDFYLPPEGCSYRIAVVSVKKSYPGHAKRIIMGIFSFLKQFLYTKFIIVVDDDINIRDWKEVMWAISTRMDPVRDTVMIENAPIDYLDFASPESGLGGKMGFDATNKMPPETKREWGKKIEMSEEIVKKVTEKWDEYGLTDD |
2B3Y Chain:A ((193-281)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GYYYPD-SLVGTDSHTTMIDGLGILGWGVGGIEAEAVMLGQPIS--------MVLPQVIGYRLMGKPHPLVTSTDIVLTITKHLRQVGVVGKFVEFFGPGVAQLSIADRATIANMCPEYGATAAFFPVDEVSITYLVQTGRDEEKLKYIKKYLQAVGMFRDFNDPSQDPDFTQVVELDLKTVVPCCSGPKRPQDKVAVSDMKKDFESCLGAKQGFKGFQVAPEHHNDHKTFIYDNTEFTLAHGSVVIAAITSCTNTSNPSVMLGAGLLAKKAVDAGLNVMPYIKTSLSPGSGVVTYYL |
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General information:
TITO was launched using:
| RESULT:
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Template: 2B3Y.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -6086 for 331 contacts (-18.4/contact) +
2D Compatibility (PS) -7547 + (NN) -1947 + (LL) 15620
1D Compatibility (HY) -3200 + (ID) 500
Total energy: -3660.0 ( -11.06 by residue)
QMean score : 0.029
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