Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNFQENLAALDLEYLWHPCSQMQEHQNFPIIPIKKAQGIYLYDFNDNA---YMDLISSWWVNLFGHNNAYISQQLKNQIDNLEHVLLASFSHKPIITLSQRLCQLT--GMDKCFYADNGSSCIEIALKMSYHAHFLKNQTRRKKLFLSLSNSYHGETLGALSVGDV-KLYKDTYTPLLLKNLITP-VPKNDSEIENSLNALKRLLDKHGEEICAFIAEPLLQCAGNMHIYSAKYLKQAVLWCKQKNIHIIFDEIATGFGRTGSMFAYEQCGIKPDFLCLSKGISGGYLPLSALLTHNEIYNQFYAPYEENKAFLHSHSYTGNALACACANATLDIFEKENVIEKNKALSEFIFSALQNALKPLIERQVVSDLRHLGMVFAFEVFLQTKERLSLAV-FKKALKKGLLLRPLNNTIYLMPPYIITHEEIKKAIAGLVEAIDELKKAENK |
4CXQ Chain:A ((31-448)) | ----EQIIAVDGAHLWHPYSSIGR-E-VSPVVAVAAHGAWLTLIRDGQPIEVLDAMSSWWTAIHGHGHPALDQALTTQLRVMNHVMFGGLTHEPAARLAKLLVDITPAGLDTVFFSDSGSVSVEVAAKMALQ-YWRGRGLPGKRRLMTWRGGYHGDTFLAMSICDPHGGMHSLWTDVLAAQVFAPQVPRDYDPAYSA--AFEAQLAQHAGELAAVVVEPVVQGAGGMRFHDPRYLHDLRDICRRYEVLLIFDEIATGFGRTGALFAADHAGVSPDIMCVGKALTGGYLSLAATLCTADVAHTISA--GAAGALMHGPTFMANPLACAVSVASVELLLGQDWRTRITELAAGLTAGLDTARA----LPAVTDVRVCGAIGVIEC----DRPVDLAVATPAALDRGVWLRPFRNLVYAMPPYICTPAEITQITSAMVEVARLVGS---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4CXQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -315107 for 3549 contacts (-88.8/contact) +
2D Compatibility (PS) -43513 + (NN) -12868 + (LL) 1736
1D Compatibility (HY) -32000 + (ID) 6550
Total energy: -408302.0 ( -115.05 by residue)
QMean score : 0.489
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