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


Input alignment information:
Query sequenceMGLFDRLFGKKEEPKIEEVVKEALENLDLSEDVDPTFTEVEEVSQEEAEVEIVEQAVFQEEEIQDTVEESLDLEPVVEVSQKEVEEFPHSEEGNTEFLETIEENNSEVLEPERPQAEETVQEKYDRSLKKTRTGFGARLNAFFANFRSVDEEFFEELEELLIMSDVGVQVASNLTEELRYEAKLENAKKP----DALRRVIIEKLVELYEKDGSYD--ESIHFQDNLTVMLFVGVNGVGKTTSIGKLAHRYKQAGKKVMLVAADTFRAGAVAQLAEWGRRVDVPVVTGPEKADPASVVFDGMERAVAEGIDILMIDTAGRLQNKDNLMAELEKIGRIIKRVVPEAPHETFLALDASTGQNALVQAKEFSKITPLTGIVLTKIDGTARGGVVLAIREELNIPVKLIGFGEKIDDIGEFNSENFMKGLLEGLI
3DMD Chain:B ((53-324))------------------------------------------------------------------------------------------------------------------------------------------------------DKALDELEIDLLEADVALEVVDALREKIKQKLVGKKVRIGTDKGKIIEEAVKEAVSEILETSRRIDLIEEIRKAEKPYVIMFVGFNGSGKTTTIAKLANWLKNHGFSVVIAASDTFRAGAIEQLEEHAKRIGVKVIKHSYGADPAAVAYDAIQHAKARGIDVVLIDTAGRSETNRNLMDEMKKIARVTK------PNLVIFVGDALAGNAIVEQARQFNEAVKIDGIILTKLDADARGGAALSISYVIDAPILFVGVGQGYDDLRPFEKEWFLERIFG---


General information:
TITO was launched using:
RESULT:

Template: 3DMD.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 : 1327 47371 35.70 178.08
target 2D structure prediction score : 0.74
Monomeric hydrophicity matching model chain B : 0.73

3D Compatibility (PKB) : 35.70
2D Compatibility (Sec. Struct. Predict.) : 0.74
1D Compatibility (Hydrophobicity) : 0.73
QMean score : 0.615

(partial model without unconserved sides chains):
PDB file : Tito_3DMD.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3DMD-query.scw
PDB file : Tito_Scwrl_3DMD.pdb: