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



Input alignment information:
Query sequenceMAFAKISQVAHYVPEQVVTNHDLAQIMDTNDEWISSRTGIRQRHISRTESTSDLATEVAKKLMAKAGITGEELDFIILATITPDSMMPSTAARVQANIGANKAFAFDLTAACSGFVFALSTAEKFIASGRFQKGLVIGSETLSKAVDWSDRSTAVLFGDGAGGVLLEASEQEHFLAES-LNSDGSRSECLTYGHSGLHSPFSDQESADSFLKMDGRTVFDFAIRDVAKSIKQTIDESPIEVTDLDYLLLHQANDRILDKMARKIGVDRAKLPANMMEYGNTSAASIPILLSECVEQGLI-PLDGSQTVLLSGFGGGLTWGTLILTI
5KP2 Chain:B ((4-318))-CYAEITGWGKCLPPATLSNHDLSTFLDTSDEWIQSRTGIEQRRISHV-NTSDLATVAAQHAIACAGVSVEEIDLIIVATCSPDSLIPNIASRVQQNLGIPSAAAFDLNAAATGFLYGLETATRLMQASHYRHALVIGAERLSFYLDWTKRDTAVLFGDGAGAVVLSKTEQKVGLQDAQIGCDAQGRDILAVPKFGTAMDRFDADNGYWAFDFVGKEIFKRAVRGMGAAAQQVLARSGLSTEEIDVVIPHQANIRIIQTLCDLAGIAQDKAFVNIHRYGNTSAATVPIALCEALEQGKIKPHD---DLLVAAFGAGLTWG------


General information:
TITO was launched using:
RESULT:

Template: 5KP2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1893 -151403 -79.98 -483.71
target 2D structure prediction score : 0.62
Monomeric hydrophicity matching model chain B : 0.84

3D Compatibility (PKB) : -79.98
2D Compatibility (Sec. Struct. Predict.) : 0.62
1D Compatibility (Hydrophobicity) : 0.84
QMean score : 0.464

(partial model without unconserved sides chains):
PDB file : Tito_5KP2.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-5KP2-query.scw
PDB file : Tito_Scwrl_5KP2.pdb: