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



Input alignment information:
Query sequenceMGRRKQGMPTINQLVRKPRKSKVEKSNSPALNKGYNSFKKTQTNVNSPQKRGVATRVGTMTPKKPNSALRKYARVRLSNLIEVTAYIPGIGHNLQEHSVVLLRGGRVKDLPGVRYHIVRGALDTAGVNDRKQSRSKYGTKKPKA
4A2I Chain:L ((2-123))---------TVNQLVRKPRARKVAKSNVPALEA-------------CPQKRGVCTRVYTTTPKKPNSALRKVCRVRLTNGFEVTSYIGGEGHNLQEHSVILIRGGRVKDLPGVRYHTVRGALDCSGVKDRKQARSKYGVKRPKA


General information:
TITO was launched using:
RESULT:

Template: 4A2I.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain L - contact count / total energy / energy per contact / energy per residue : 497 -18254 -36.73 -149.62
target 2D structure prediction score : 0.48
Monomeric hydrophicity matching model chain L : 0.90

3D Compatibility (PKB) : -36.73
2D Compatibility (Sec. Struct. Predict.) : 0.48
1D Compatibility (Hydrophobicity) : 0.90
QMean score : 0.466

(partial model without unconserved sides chains):
PDB file : Tito_4A2I.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4A2I-query.scw
PDB file : Tito_Scwrl_4A2I.pdb: