Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MASPAFMRFLPRCGAAAAFGTLLGLAGCQSWLDDRYADSLPPTSGVQPIKGLAQNVSIRRNALGMPLIETGTFHDALFALGYVHASDRLSQMVSLRLLAQGRLAEMVGPGALEIDRFMRTVNLRQAAEIQYRNASPRLQRFFEVYARGVNAYLYRYRDKLPMDLAQSGYRPEYWKPEDSALVFALLNFGLAVNLQEEIASLTLAQKVGSDKLAWLTPTYPDENLPFDEAEKLKGLRLDGQVPGLAGVEGAARQVAALSMLGVAASNNWAIAPQRSRSGKSLMANDTHLPLSMPSVWNYVQIRSPKYQAAGVSIAGLPGVVAGFNGKLAWGMTMVLGDNQDLYLEQLRRQGNRLYYLADGKWQPTRERQETFFIKGQRPIREVIHETRHGPLLNSALGERKNILQPLPLKSGYGLAYRSIQQEADKTLDGFFDLSRAKTIEQAFDATREIRAMPLNIVFAD-EKHIGWQVTGRYPNRKEGRG-LLPSPGWDGRYDWDGYADPILHPSDQDPQQGWLGTANHRTVQPGYGAQ--LSNSWYYPERAERIAQL------AGASKSHDTQSMIRMQYDQTSLFVAKLQAMFDNPGMALPLRQAIDALPEAQRSRAREAYDRLMAFDGKLTASSSDAALYGAFLHESARQIFLDELGPEDGPAWKAFVETANLSYSAQADHLLGRDDSPFWDDTRTPQKEDKPAILARSLAAAVEFCEQRLGSERKAWQWGKLHTYEWQSDSSKMAPYLGAGERAGLGAIKGYLDRGPYPAGGDHTTLDVSAYGWGQDFDTWLIPAMRLIVDFGQSEPMIGVNSSGQSGNPASPHYADGIDAWLKGRYVSFPFQPQNLDRVYGNKRLTLTPAR |
1PNK Chain:B ((1-323)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SNMWVIGKSKAQDAKAIMVNGPQFGWYAPAYTYGIGLHGAGYDVTGNTPFAYPGLVFGHNGVISWGSTAGFGDDVDIFAERLSAE-KPGYYLHNGKWVKMLSREETITVKNGQAETFTVWRTVHG-----------NILQTDQTTQTAYAKSRAWDGKEVASLLAWTHQMKAKNW-QEWTQQAAKQALTINWYYADVNGNIGYVHTGAYPDRQSGHDPRLPVPG-TGKWDWKGLLPFEMNPKVYNPQSGYIANWNN-SPQKDYPASDLFAFLWGGADRVTEIDRLLEQKPRLTADQAWDVIRQTSRQDLNLRLFLPTLQAATSGLTQSDPRRQLVETLTRWDGINLLNDDGKTWQQPGSAILNVWLTSMLKRTVVAAVPMPFDKWYSASGYETTQDGPTGSLNISVGAKILYEAVQGDKSPIPQAVDLFAGKPQQEVVLAALEDTWETLSKRYGNNVSNWKTPAMALTFRANNFFGVPQAAAEETRHQAEYQNRGTENDMIVFSPTTSDRPVLAWDVVAPGQSGFIAPDGTVDKHYEDQLKMYENFGRKSLWLTKQDVEAHKESQEVLHVQR--------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 1PNK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -29968 for 2216 contacts (-13.5/contact) +
2D Compatibility (PS) -33170 + (NN) -11652 + (LL) 20744
1D Compatibility (HY) -8800 + (ID) 4500
Total energy: -67346.0 ( -30.39 by residue)
QMean score : 0.256
|
|
|