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



Input alignment information:
Query sequenceMLNEQQITRLLYRLQDPVLEASLEETEGVLEVQVLEETANIKIALADPAVETDHFVHNIEELLTQFGVNEINIELEYLPAAVIDRIFQARDNILSEASETKFLAIASGKGGVGKSTVSANLAIALAQQGKKVGLLDADIYGFSIPVLLGTTESPHKENGQII-------PVETH--GIQMISMDFFVEQGEPVIWRGPMLGKMIKMFLEEVRWGKLDYLLIDLPPGTGDVALDIHTLIPKCNELIVTTPHYAAASVASRAGYMAAKNNHKIIGVIENMSYLTLAD-GQVLKVFGQGGGEKVAADLETQLLIQLPIEQPEPNGNGYVSALFNSSSTSGKAYKTLAEKIIPYLS
3KB1 Chain:A ((21-229))------------------------------------------------------------------------------------------------------IAVMSGKGGVGKSTVTALLAVHYAKQGKKVGILDADFLGPSIPHLFGL------EKGKVAVSDEGLEPVLTQRLGIKVMSIQFLL-----------LIAGMIREFLGRVAWGELDYLLIDLPPGTGDAPLTVMQDAKPNGAVIVSTPQELTAAVVEKAITMAEQTKTAVLGIVENMAYFECPNCGERTYLFGEGKASELARKYKIEFITEIPID------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 3KB1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -122364 for 1519 contacts (-80.6/contact) +
2D Compatibility (PS) -20573 + (NN) -7944 + (LL) 11356
1D Compatibility (HY) -19200 + (ID) 4200
Total energy: -162925.0 ( -107.26 by residue)
QMean score : 0.439

(partial model without unconserved sides chains):
PDB file : Tito_3KB1.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3KB1-query.scw
PDB file : Tito_Scwrl_3KB1.pdb: