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



Input alignment information:
Query sequenceMKRESYQAEMFNWCEALKDQIQKRGQLDQFEDQIDKMIEALEDDQTTEEDWYKQAAALYRDITESDDTSERRAYVPIGKHVLPKLPYKYSALEPYISRDIMILHHTKHHQSYVDGLNKAESELKKARATKNYDLITHWERELAFHGAGHYLHSIFWFSMHPNGKRRPTGALFQMIDLSFGSYSAFKEHFTQASKKVEGVGWAILVWAPRSGRLEILTAEKHQ-LFSQWDVIPLLPLDVWEHAYYLQYKNDRASYVDHWWNVVDWREAEKRFEQAKEVVWKLY
2P4K Chain:D ((1-198))------------------------------------------------------------------------------KHSLPDLPYDYGALEPHINAQIMQLHHSKHHAANVNNLNVTEEKYQEALAKGDVTAQIALQPALKFNGGGHINHSIFWTNLSPNGGGEPKGELLEAIKRDFGSFDKFKEKLTAASVGVQGSGWGWLGFNKERGHLQIAACPNQDPLQGTTGLIPLLGIDVWEHAYYLQYKNVRPDYLKAIWNVINWENVTERYMACKK------


General information:
TITO was launched using:
RESULT:

Template: 2P4K.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 : 909 -79209 -87.14 -402.07
target 2D structure prediction score : 0.64
Monomeric hydrophicity matching model chain D : 0.76

3D Compatibility (PKB) : -87.14
2D Compatibility (Sec. Struct. Predict.) : 0.64
1D Compatibility (Hydrophobicity) : 0.76
QMean score : 0.575

(partial model without unconserved sides chains):
PDB file : Tito_2P4K.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2P4K-query.scw
PDB file : Tito_Scwrl_2P4K.pdb: