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



Input alignment information:
Query sequenceMKKKKTWKRFLHFSSAALAAGLIFTSAAPAEAAFWGASNELLHDPTMIKEGSSWYALGTGLTEERGLRVLKSSDAKNWTVQKSIFTTPLSWWSNYVPNYGQNQWAPDIQYYNGKYWLYYSVSSFGSNTSAIGLASSTSISSGG----WKDEGLVIRSTSSN-NYNAIDPELTFDKDGNPWLAFGSFWSGIKLTKLDKSTMKPTGSLYSIAAR--PNNGG-ALEAPTLTYQNGYYYLMVSFDKCCDGVNSTYKIAYGRSKSITGPYLDKSGKSMLEGGGTILDSGNDQWKGPGGQDIVNGN---ILVRHAYDANDNGIPKLLINDLNWS-SGWPSY
4KCB Chain:A ((127-438))------------------------------------ATNPDVHDPVMAREDGKYYIFMTG----QAVGSMTSDDMKSWTPGRGVMPEIPQWAMEAVPGYRGHTWAPDISEHNGTWYMYYSCSTFGKNGSAIGLMTNKTLNPESPDYKWEDKGMVVRSVQRQTNWNAIDPNLIMDEKGRPWLTWGSFWDGIQLVQLDKDFKTPKGEPKTIARRYL--AGANAIEAPFIIREGKYYYLFVSWDYCCKGANSNYKTAVGRSKKIEGPYVDRNGKDMAAGGGEVIAQRDDNYFGIGHSSAYQFDGQWYFMAHGYARANNGASKLVIRKMNFDKDGWP--


General information:
TITO was launched using:
RESULT:

Template: 4KCB.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 : 1672 -4176 -2.50 -14.97
target 2D structure prediction score : 0.68
Monomeric hydrophicity matching model chain A : 0.77

3D Compatibility (PKB) : -2.50
2D Compatibility (Sec. Struct. Predict.) : 0.68
1D Compatibility (Hydrophobicity) : 0.77
QMean score : 0.586

(partial model without unconserved sides chains):
PDB file : Tito_4KCB.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4KCB-query.scw
PDB file : Tito_Scwrl_4KCB.pdb: