Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSTPVVLITGAAGGLGRAIAKRFAQSHWRIAATDVDKEG------LHALNAQVPLDASGVADLRSADNCHTLMSKILARTGRLDALVNAAGVWREGPVENFTEEDFDLVLGVNLKASFYMCQAAIPYLKENQ-GSIVNISSDSGRQAYRGSAAYCASKAALTMLSKTLALELAEQGVRVNAVSPADIATPMLDYQAERYGMGNPDGYKRALLKDYPQGKAARFIRPEEVAELVWYLCGPQAEAITGADLAVDFGLSAGR
3GK3 Chain:B ((27-266))
----VAFVTGGMGGLGAAISRRLHDAGMAVAVSHS---DHVSTWLMHERDAGRDFKAYAV-DVADFESCERCAEKVLADFGKVDVLINNAGITRDATFMKMTKGDWDAVMRTDLDAMFNVTKQFIAGMVERRFGRIVNIGSVNGSRGAFGQANYASAKAGIHGFTKTLALETAKRGITVNTVSPGYLATAMVEAVPQ-------DVLEAKILPQIPVG---RLGRPDEVAALIAFLCSDDAGFVTGADLAINGGM----
General information:
TITO was launched using:
RESULT:
Template:
3GK3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -146033 for 1940 contacts (-75.3/contact) +
2D Compatibility (PS) -24332 + (NN) -10075 + (LL) 560
1D Compatibility (HY) -16000 + (ID) 4250
Total energy: -200130.0 ( -103.16 by residue)
QMean score : 0.508
(partial model without unconserved sides chains):
PDB file :
Tito_3GK3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GK3-query.scw
PDB file :
Tito_Scwrl_3GK3.pdb
: