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 |
4CXR Chain:A ((31-448)) | ----EQIIAVDGAHLWHPYSSIGR----SPVVAVAAHGAWLTLIRDGQPIEVLDAMSSWWTAIHGHGHPALDQALTTQLRVMNHVMFGGLTHEPAARLAKLLVDITPAGLDTVFFSDSGSVSVEVAAKMALQ-YWRGRGLPGKRRLMTWRGGYHGDTFLAMSICDPHGGMHSLWTDVLAAQVFAPQVPRDYDPAYSA--AFEAQLAQHAGELAAVVVEPVVQGAGGMRFHDPRYLHDLRDICRRYEVLLIFDEIATGFGRTGALFAADHAGVSPDIMCVGKALTGGYLSLAATLCTADVAHTISA--GAAGALMHGPTFMANPLACAVSVASVELLLGQDWRTRITELAAGLTAGLDTARA----LPAVTDVRVCGAIGVIEC----DRPVDLAVATPAALDRGVWLRPFRNLVYAMPPYICTPAEITQITSAMVEVARLVGS---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4CXR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -308437 for 3502 contacts (-88.1/contact) +
2D Compatibility (PS) -43343 + (NN) -11447 + (LL) 1988
1D Compatibility (HY) -31600 + (ID) 6550
Total energy: -399389.0 ( -114.05 by residue)
QMean score : 0.456
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