Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKTLTNKLAEKEHAAVVTYIMGGDGGLDNLEEQLLFLEKSGVSAIEIGIPFSDPVADGPIIQLAGLRALKEQVSLEAILNKLAMSKV--QIPLIIMSYINPIFHLGIPKFVELVQKTPVKGLIIPDLPYEHQKLITPELQGTDIALIPLVSLTSPKERLEEIAKQAEGFIYAVTVNGTTGVRSEFDAHIDSHLAYLKSISPVPVLAGFGVSSIEHVEKFAHV-CDGVIIGSKVVQMLHE-EKTAELGAFLQKAAEVRIKN
1GEQ Chain:A ((1-248))
----MFK------DGSLIPYLTAGDPDKQSTLNFLLALDEY-AGAIELGIPFSDPIADGKTIQESHYRALKNGFKLREAFWIVKEFRRHSSTPIVLMTYYNPIYRAGVRNFLAEAKASGVDGILVVDLPVFHAKEFTEIAREEGIKTVFLAAPNTPDERLKVIDDMTTGFVYLVSLY-------EIPKTAYDLLRRAKRICRNKVAVGFGVSKREHVVSLLKEGANGVVVGSALVKIIGEK--GREATEFLKKKVEELLGI
General information:
TITO was launched using:
RESULT:
Template:
1GEQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -208508 for 2011 contacts (-103.7/contact) +
2D Compatibility (PS) -26785 + (NN) -20214 + (LL) 1052
1D Compatibility (HY) -14800 + (ID) 3850
Total energy: -273105.0 ( -135.81 by residue)
QMean score : 0.668
(partial model without unconserved sides chains):
PDB file :
Tito_1GEQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1GEQ-query.scw
PDB file :
Tito_Scwrl_1GEQ.pdb
: