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



Input alignment information:
Query sequenceMKQTIFSGIQPSGSVTLGNYIGAMKQFVELQHDYNSYFCIVDQHAITVPQDRLELRKNIRNLAALYLAVGLDPEKATLFIQSEVPAHAQAGWMMQC---VAYIGELERMTQFKDKSKGNEAVVSGLLTYPPLMAADILLYGTDLVPVGEDQKQHLELTRNLAERFNKKYN---DIFTIPEVKIPKVGARIMSLNDPLKKMSKSDPNQKAYITLLDEPKQLEKKIKSAVTDSE--GIVKFDKENKPGVSNLLTIYSILGNTTIEELEAKYEG-KGYGEFKGDLAEVVVNALKPIQDRYYELIE-SEELDRILDEGAERANRTANKMLKKMENAMGLGRKRR
3SZ3 Chain:A ((6-340))-KPIVLSGVQPSGELSIGNYLGALRQWQQMQDDYDCQYCVVDLHAITVRQDPQALHEATLDALAICLAVGVDPKKSTLFVQSHVPEHAQLGWVLNCYTQMGELSRMTQFKDKSARYA--NDVNAGLFGYPVLMAADILLYGAHQVPVGSDQKQHLELARDIATRFNNIYSPEQPIFTIPEPYIPTVNARVMSLQDATKKMSKSDDNRKNVITLLEDPKSIIKKINKAQTDAETPPRIAYDVENKAGIANLMGLYSAATGKTFAEIEAQYAGVEMYGPFKKDVGEAVVAMLEPVQAEYQRIRNDREYLNSVMRDGAEKASAKALQTLKKVYAAVGFVAR--


General information:
TITO was launched using:
RESULT:

Template: 3SZ3.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 : 1557 -168722 -108.36 -519.14
target 2D structure prediction score : 0.71
Monomeric hydrophicity matching model chain A : 0.84

3D Compatibility (PKB) : -108.36
2D Compatibility (Sec. Struct. Predict.) : 0.71
1D Compatibility (Hydrophobicity) : 0.84
QMean score : 0.572

(partial model without unconserved sides chains):
PDB file : Tito_3SZ3.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3SZ3-query.scw
PDB file : Tito_Scwrl_3SZ3.pdb: