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



Input alignment information:
Query sequenceMSTKPFYRDTWAEIDLSAIKENVSNMKKHIGEHVHLMAVVKANAYGHGDAETAKAALDAGASCLAVAILDEAISLRKKGLKAPILVLGAVPPEYVAIAAEYDVTLTGYSVEWLQEAARHTKKGS---LHFHLKVDTGMNRLGVKTEEEVQNVMAILDRNPRLKCKGVFTHFATADEKERGYFLMQFERFKELIAPLPLKNLMVHCANSAAGLRLKKGFFNAVRFGIGMYGLRPSADMSDEIPFQLRPAFTLHSTLSHVKLIRKGESVSYGAEYTAEKDTWIGTVPVGYADGWLRKLKGTDILVKGKRLKIAGRICMDQFMVELDQEYPPGTKVTLIGRQGDEYISMDEIAGRLETINYEVACTISSRVPRMFLENGSIMEVRNPLLQVNISN
3E6E Chain:C ((5-370))-----WHRPTRLHIDTQAITENVQKECQRLPEGTALFAVVKANGYGHGAVESAKAAKKGGATGFCVALLDEAIELREAGVQDPILILSVVDLAYVPLLIQYDLSVTVATQEWLEAALQQLTPESNTPLRVHLKVDTGMGRIGFLTPEETKQAVRFVQSHKEFLWEGIFTHFSTADEIDTSYFEKQAGRFKAVLAVLEELPRYVHVSNSATALWHPDVPGNMIRYGVAMYGLNPSGNKLAP-SYALKPALRLTSELIHVKRLAAGEGIGYGETYVTEAEEWIGTVPIGYADGWLRHLQGFTVLVNGKRCEIVGRVCMDQCMIRLAEEVPVGPVVTLVGKDGNEENTLQMVAEKLETIHYEVACTFSQRIPREY--------------------


General information:
TITO was launched using:
RESULT:

Template: 3E6E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 2036 -253216 -124.37 -697.56
target 2D structure prediction score : 0.60
Monomeric hydrophicity matching model chain C : 0.81

3D Compatibility (PKB) : -124.37
2D Compatibility (Sec. Struct. Predict.) : 0.60
1D Compatibility (Hydrophobicity) : 0.81
QMean score : 0.583

(partial model without unconserved sides chains):
PDB file : Tito_3E6E.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3E6E-query.scw
PDB file : Tito_Scwrl_3E6E.pdb: