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



Input alignment information:
Query sequenceMNMVKGLKNKVALVTGAAQGIGRRIALRLAQEGAHIALVDMKQ--DRLNDVQQEIQALGVNASTFIADVSDREQVYAAINHAEQTLGGFDVMINNAGIAQVQAIADITPDEFQKIVDINIGGVLWGIQAAAAKFKQREHKGKIINACSIADHDGFALLGIYSATKFAVRALTQAAAKEYASHGITVNGYCPGIVGTDMWVEIDKRFAEITSAAIGETYKKYVEGIALGRAQTPDDVAALVAFLASEDSDYITGQSILTDGGIVYR
3A28 Chain:G ((2-258))--------SKVAMVTGGAQGIGRGISEKLAADGFDIAVADLPQQEEQAAETIKLIEAADQKAVFVGLDVTDKANFDSAIDEAAEKLGGFDVLVNNAGIAQIKPLLEVTEEDLKQIYSVNVFSVFFGIQAASRKFDELGVKGKIINAASIAAIQGFPILSAYSTTKFAVRGLTQAAAQELAPKGHTVNAYAPGIVGTGMWEQIDAELSKINGKPIGENFKEYSSSIALGRPSVPEDVAGLVSFLASENSNYVTGQVMLVDGGMLYN


General information:
TITO was launched using:
RESULT:

Template: 3A28.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 1500 -16589 -11.06 -65.05
target 2D structure prediction score : 0.69
Monomeric hydrophicity matching model chain G : 0.88

3D Compatibility (PKB) : -11.06
2D Compatibility (Sec. Struct. Predict.) : 0.69
1D Compatibility (Hydrophobicity) : 0.88
QMean score : 0.621

(partial model without unconserved sides chains):
PDB file : Tito_3A28.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3A28-query.scw
PDB file : Tito_Scwrl_3A28.pdb: