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



Input alignment information:
Query sequenceMRIAGRLAAEVLDMIKPHIKAGVSTLELDTICRNHIENVQHAIPACVGYGGAPGRPAFQHSICTSVNHVVCHGIPSENKILKNGDILNIDVTVIKDGYHGDTNMMYIVGG---ETSILANRLCKVAQEAMYRGMATVRDGSYLGDIGHAIQKHVESERFSVVREYCGHGIGTVFHDEPQVLHYGQAGTGMRLEAGMTFTIEPMVNAGVWQTKLLGDKWTVVTKDHKLSAQYEHTILVTKTGIEVLTARPEEDLSRFNQ
3PKC Chain:A ((50-283))MRVAGRIAAGALAEAGKAVAPGVTTDELDRIAHEYLVD-NGAYPSTLGYKG------FPKSCCTSLNEVICHGIP-DSTVITDGDIVNIDVTAYIGGVHGDTNATFPAGDVADEHRLLVDR----TREATMRAINTVKPGRALSVIGRVIESYANRFGYNVVRDFTGHGIGTTFHNGLVVLHYDQPAVETIMQPGMTFTIEPMINLGALDYEIWDDGWTVVTKDRKWTAQFEHTLLVTDTGVEILT------------


General information:
TITO was launched using:
RESULT:

Template: 3PKC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1363 -74393 -54.58 -322.05
target 2D structure prediction score : 0.65
Monomeric hydrophicity matching model chain A : 0.82

3D Compatibility (PKB) : -54.58
2D Compatibility (Sec. Struct. Predict.) : 0.65
1D Compatibility (Hydrophobicity) : 0.82
QMean score : 0.414

(partial model without unconserved sides chains):
PDB file : Tito_3PKC.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3PKC-query.scw
PDB file : Tito_Scwrl_3PKC.pdb: