Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMKLKKILGLLGLALAAAFVLTACGQKNDKNTLTVGVMTMTDSDKERW-DKIEELLKKENIKLKFKEFTDYSQPNKALKNGEIDINSFQHYNFLNNWNKENKGDLVTVAETYISPINLFSGTENGKAKYSSAKEIPNGGQIAIPNDATNESRALYVLQDAGLIKLNVS-GDELATVKNIKSNPKNLDIKEVDASQTARNLASVDAAVVNNSYAVPAKIDFKTSLYKEKVNEGSKQWINIIAAQKNWKKSKKAAAIKKLIKAYHTDAVKKVIKKTAKGVDEPVW
3IR1 Chain:A ((1-238))-----------------------------KEIVFGTTVG--DFGDMVKEQIQPELEKKGYTVKLVEFTDYVRPNLALAEGELDINVFQHKPYLDDFKKEHNLDITEVFQVPTAPLGLYP------GKLKSLEEVKDGSTVSAPNDPSNFARVLVMLDELGWIKLKDGINPLTASKADIAENLKNIKIVELEAAQLPRSRADVDFAVVNGNYAISSGMKLTEAL-FQEPS---FAYVNWSAVKTA---DKDSQWLKDVTEAYNSDAFKAYAHKRFEGYKSPAA


General information:
TITO was launched using:
RESULT:

Template: 3IR1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -12681 for 1963 contacts (-6.5/contact) +
2D Compatibility (PS) -24975 + (NN) -8313 + (LL) 2616
1D Compatibility (HY) -13600 + (ID) 3800
Total energy: -60753.0 ( -30.95 by residue)
QMean score : 0.382

(partial model without unconserved sides chains):
PDB file : Tito_3IR1.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3IR1-query.scw
PDB file : Tito_Scwrl_3IR1.pdb: