Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MASPAFMRFLPRCGAAAAFGTLLGLAGCQSWLDDRYADSLPPTSGVQPIKGLAQNVSIRRNALGMPLIETGTFHDALFALGYVHASDRLSQMVSLRLLAQGRLAEMVGPGALEIDRFMRTVNLRQAAEIQYRNASPRLQRFFEVYARGVNAYLYRYRDKLPMDLAQSGYRPEYWKPEDSALVFALLNFGLAVNLQEEIASLTLAQKVGSDKLAWLTPTYPDENLPFDEAEKLKGLRLDGQVPGLAGVEGAARQVAALSMLGVAASNNWAIAPQRSRSGKSLMANDTHLPLSMPSVWNYVQIRSPKYQAAGVSIAGLPGVVAGFNGKLAWGMTMVLGDNQDLYLEQLRRQGNRLYYLADGKWQPTRERQETFFIKGQRPIREVIHETRHGPLLNSALGERKNILQPLPLKSGYGLAYRSIQQEADKTLDGFFDLSRAKTIEQAFDATREIRAMPLNIVFAD-EKHIGWQVTGRYPNRKEGRG-LLPSPGWDGRYDWDGYADPILHPSDQDPQQGWLGTANHRTVQPGYGAQ--LSNSWYYPERAERIAQL------AGASKSHDTQSMIRMQYDQTSLFVAKLQAMFDNPGMALPLRQAIDALPEAQRSRAREAYDRLMAFDGKLTASSSDAALYGAFLHESARQIFLDELGPEDGPAWKAFVETANLSYSAQADHLLGRDDSPFWDDTRTPQKEDKPAILARSLAAAVEFCEQRLGSERKAWQWGKLHTYEWQSDSSKMAPYLGAGERAGLGAIKGYLDRGPYPAGGDHTTLDVSAYGWGQDFDTWLIPAMRLIVDFGQSEPMIGVNSSGQSGNPASPHYADGIDAWLKGRYVSFPFQPQNLDRVYGNKRLTLTPAR |
1E3A Chain:B ((2-326)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TGSNMWVIGKSKAQDAKAIMVNGPQFGWYAPAYTYGIGLHGAGYDVTGNTPFAYPGLVFGHNGVISWGSTAGFGDDVDIFAERLSAE-KPGYYLHNGKWVKMLSREETITVKNGQAETFTVWRTVHG-----------NILQTDQTTQTAYAKSRAWDGKEVASLLAWTHQMKAKNW-QEWTQQAAKQALTINWYYADVNGNIGYVHTGAYPDRQSGHDPRLPVPG-TGKWDWKGLLPFEMNPKVYNPQSGYIANWNN-SPQKDYPASDLFAFLWGGADRVTEIDRLLEQKPRLTADQAWDVIRQTSRQDLNLRLFLPTLQAATSGLTQSDPRRQLVETLTRWDGINLLNDDGKTWQQPGSAILNVWLTSMLKRTVVAAVPMPFDKWYSASGYETTQDGPTGSLNISVGAKILYEAVQGDKSPIPQAVDLFAGKPQQEVVLAALEDTWETLSKRYGNNVSNWKTPAMALTFRANNFFGVPQAAAEETRHQAEYQNRGTENDMIVFSPTTSDRPVLAWDVVAPGQSGFIAPDGTVDKHYEDQLKMYENFGRKSLWLTKQDVEAHKESQEVLHVQR--------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1E3A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -29400 for 2303 contacts (-12.8/contact) +
2D Compatibility (PS) -33347 + (NN) -12691 + (LL) 20456
1D Compatibility (HY) -8800 + (ID) 4500
Total energy: -68282.0 ( -29.65 by residue)
QMean score : 0.289
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