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



Input alignment information:
Query sequenceMSTKPFYRDTWAEIDLSAIKENVSNMKKHIGEHVHLMAVVKANAYGHGDAETAKAALDAGASCLAVAILDEAISLRKKGLKAPILVLGAVPPEYVAIAAEYDVTLTGYSVEWLQEAARHTKKGS---LHFHLKVDTGMNRLGVKTEEEVQNVMAILDRNPRLKCKGVFTHFATADEKERGYFLMQFERFKELIAPLPLKNLMVHCANSAAGLRLKKGFFNAVRFGIGMYGLRPSADMSDEIPFQLRPAFTLHSTLSHVKLIRKGESVSYGAEYTAEKDTWIGTVPVGYADGWLRKLKGTDILVKGKRLKIAGRICMDQFMVELDQEYPPGTKVTLIGRQGDEYISMDEIAGRLETINYEVACTISSRVPRMFLENGSIMEVRNPLLQVNISN
3E6E Chain:B ((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 B - contact count / total energy / energy per contact / energy per residue : 2082 -253112 -121.57 -697.28
target 2D structure prediction score : 0.55
Monomeric hydrophicity matching model chain B : 0.81

3D Compatibility (PKB) : -121.57
2D Compatibility (Sec. Struct. Predict.) : 0.55
1D Compatibility (Hydrophobicity) : 0.81
QMean score : 0.598

(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: