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



Input alignment information:
Query sequenceMLKIAIVGLPNAGKSTLFNRILGRKAAVVSNIPGITRDRQEGVGRISDLELKIIDTGGWN-DQTNFFLQIVEQIEFSLFSADIIFFLVDAKVQ-NEQNKEFAKWLKRRTNKSVILIANKCESYK-SENIDYLQFFDFIGPVYISAEHNLGMVDLYNALAGVIDSSTNFSSVIPKPLPVIKVAGTGIQEKNEQISTLHAENQSNQPNRLRVAIIGRPNVGKSTFLNSLLSENRLITSSEPGTTRDSVDITYNHNGKLITLIDTAGIRRRANLIDNLELKFVKKSMESIKRSHVVVLMLDSLLGIKQQDLSIGEAAIKGGKGIIIVLNKWDLINKDDRSRLIKFVRQQEITRLFLEVPTVTISALKGIRCSDVIDKCLEVNEFLNKKISTAKVNKWLVDALGRHPHPFVKGRAIRMKYIAQIGTKPPAFSLTCNVPEGVDESYKRYLTNDLRKNFFIDGIPVRLLLKKNKNPYVK
4KYU Chain:B ((6-160))---VAIVGRPNVGKSTIFNRIA-----------------IYSSAEW-NYDFNLIDTGGIDIGDEPFLAQIRQQAEIAMDEADVIIFMVNGREGVTAADEEVAKIL-YRTKKPVVLAVNKLDNTEMRANIYDFYSLGFGEPYPISGTHGLGLGDLLDAVAEHF-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 4KYU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -111960 for 1063 contacts (-105.3/contact) +
2D Compatibility (PS) -14402 + (NN) -4268 + (LL) 21376
1D Compatibility (HY) -10400 + (ID) 2650
Total energy: -122304.0 ( -115.06 by residue)
QMean score : 0.607

(partial model without unconserved sides chains):
PDB file : Tito_4KYU.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4KYU-query.scw
PDB file : Tito_Scwrl_4KYU.pdb: