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



Input alignment information:
Query sequence----------MMQEETFYSVRMRASMNGSHEDGGKHISGGERLIPFH-------------EMKHTVNALLEKGLSHSRGKPDFMQIQFEE--------VHESIK-----TIQPLPVH--------TNE----VSCPEEGQKLARLLLEK--------EGVSRDVIEKA-----YEQIPEWS-----DVRGAVLFDIHTG-------KRMDQTKE----KGVRVSRM-DWPDANFEKWALHSHVPAHSR-----------IKEA---LALASKVSRHPA-----VVAELCWSDDPDYITGYVAGKKMGYQRITAMKEYG---------TEEGCRVFFIDGSNDVNTYIHDLEKQPILIEWEEDHDS----------------------
5AYC Chain:A ((1-386))MIHEKYTEMRNEQEALLSRKNTKTSFYNGIYDRYEHPVLTREHIPLHWRYDLNKETNPFFQERLGINAVFNAGAIKL-NDRYCLVARVEGNDRKSFFAVAESDKGTEGFRFRQYPVCLPALTDDETNVYDMRLTQHEDGWIYGVFCVEKSAGTADLSEAVASAGIARTKDLTNWERLPDLVTLRSPQQRNVTLLPEFVDGKYAFYTRPMDGFIETGSGGGIGFGLADDITHAVIDEERMTSIRRYHTITESKNGAGATPIKTERGWLNIAHGVRNTAAGLRYVIYCFVTDLSEPWKVIAEPGGYLIAPFKDERVGDVSNVVFTNGAIVDDNGDVYIYYASSDTRLHVAVSSIDKLLDYAFNTPADALRTAECVKQRCDLIKRNIELL


General information:
TITO was launched using:
RESULT:

Template: 5AYC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1257 16098 12.81 62.40
target 2D structure prediction score : 0.40
Monomeric hydrophicity matching model chain A : 0.64

3D Compatibility (PKB) : 12.81
2D Compatibility (Sec. Struct. Predict.) : 0.40
1D Compatibility (Hydrophobicity) : 0.64
QMean score : 0.101

(partial model without unconserved sides chains):
PDB file : Tito_5AYC.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-5AYC-query.scw
PDB file : Tito_Scwrl_5AYC.pdb: