Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTVYNINHGIGWASSGVEYAQAYRGSVLRKLGIDAKFIFTDFFSADNIISLTRNIGFQDKEIIWLYNFFSDIELAPTTFSIEDLQKQYLGKLVRKEDKGRVIKFFYEDENIYLTVYLDNFNKDKVHRVEIVSNNNLIRKDYYSYTRTFSEYYYPKDGVAHLYQRRFYNEDESTAFLEMVENSSSRFIINGRLLPSKVAFFDYFLESMTFTSKDIILLDRGTDTAQS-LLRHGKPAKLGTVVHAEHFSENAVTADTILWNNYYDY-QFTNANRFDFFITSTDKQTELLEQQFKQFTNHNPRIITIPVGSIDNLKMPM---------DNRRPYSILTASRLASEKHVDWLVRAVIRIREILP--EVTFDIYGSGGEEEKIRNIINAANATEYIRLMGHK---NLSNVYQNYELYLTASKSEGFGLTLLEAIGAGLPLIGFDVRYGNQTFIKDGENGYLIPRFDMDVEEAIVEAFKEKVLQLFQ-QD-QKALREASYAIAEGFLTNEVEGKWYNLVKELVQDD |
3C48 Chain:A ((120-428)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KVTYDLIHSHYWLSGQVGWLLRDLWRIPLIHTAHTLAAVKNSY---DTPESEARRICEQQLVDNADVLAVNTQEEMQDLMHHY---DADPDRISVVSPGADVELYSPGTERSRRELGIPLHTKVVAFVGRLQPFKGPQVLIKAVAALFDRDPDRNLRVIICGGPS--DTYRHMAEELGVEKRIRFLDPRPPSELVAVYRAADIVAVPSFNESFGLVAMEAQASGTPVIAARVG-GLPIAVAEGETGLLVDGHSP-------HAWADALATLLDDDETRIRMGEDAVEHARTFSWAATAAQLSSLYNDAIANE |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C48.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -127041 for 2246 contacts (-56.6/contact) +
2D Compatibility (PS) -30212 + (NN) -17510 + (LL) 16328
1D Compatibility (HY) -5200 + (ID) 2650
Total energy: -166285.0 ( -74.04 by residue)
QMean score : 0.415
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