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



Input alignment information:
Query sequenceMWYNRAMKHFDTIVIGGGPAGMMATISSSFYGQKTLLIEKNRKLGKKLAGTGGGRCNVTNNGSLDNLLAGIPGNGRFLYSVFSQFDNHDIINFFTENGVKLKVEDHGRVFPASDKSRTIIEALEKKITELGGQVATQIEIVSVKKVDDQFVLKSADQTFTCEKLIVTTGGKSYPSTGSTGFGHEIARHFKHTITDLEAAESPLLTDFPHKALQGISLDDVTLSYGK-HVITHDLLFTHFGLSGPAALRMSSFVKGGEVLSLDVLPQLSEKDLVTFLEENREKSLKNALKTLLPERLAEFFVQGYPEKVKQLTEKEREQLVQSIKELKIPVTGKMSLAKSFVTKGGVSLKEINPKTLESKLVPGLHFAGEVMDINAHTGGFNITSALCTGWVAGSLHYD
4CNJ Chain:D ((2-391))-------NHFDTIIIGGGPAGMMATISSSFYGQKTLLLEKNKRLGKKLAGTGGGRCNVTNNGNLDDLMAGIPGNGRFLYSVFSQFDNHDIINFFTENGVKLKVEDHGRVFPVTDKSRTIIEALEKKIAELGGTVITNTEIVSVKKTDELFTVRSSDQAWTCQKLIVTTGGKSYPSTGSTGFGHDIARHFKHTVTDLEAAESPLLTDFPHKALQGISLDDVTLSY-GKHIITHDLLFTHFGLSGPAALRLSSFVKGGETIYLDVLPQMSQQDLADFLEEHREKSLKNCLKILLPERIADFFTQPFPEKVKQLNLSEKEALIKQIKELPISVTGKMSLAKSFVTKGGVSLKEINPKTLESKLVPGLHFAGEVLDINAHTGGFNITSALCTGWVAGSLHYD


General information:
TITO was launched using:
RESULT:

Template: 4CNJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 2344 -71573 -30.53 -183.99
target 2D structure prediction score : 0.54
Monomeric hydrophicity matching model chain D : 0.96

3D Compatibility (PKB) : -30.53
2D Compatibility (Sec. Struct. Predict.) : 0.54
1D Compatibility (Hydrophobicity) : 0.96
QMean score : 0.495

(partial model without unconserved sides chains):
PDB file : Tito_4CNJ.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4CNJ-query.scw
PDB file : Tito_Scwrl_4CNJ.pdb: