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



Input alignment information:
Query sequenceMSADTQHFTGTDQYIATDSLKLAVKAARALQKPLLVKGEPGTGKTLLAEQVAESLGLKLITWHIKSTTKAQQGLYEYDAVSRLRDSQLGDDRVYDIKNYIKPGKLWEAFTSEERCVLLIDEIDKADI----EFPNDLLHELDKMSFYVYETGETITATQRPIVIITSNNEKELPDAFLR--RCF-FHYIEFPDEATMREIISVHFPNISVTLVNEALQVFFKLREIPNLKKPPSTSELIDWLSLLMADDMPEDVLRNRDTSKAIPPLYGALIKNEQDVQLLERLAFMSRR
4WW0 Chain:B ((50-233))-----------------------------PPKGVLLYGEPGVGKTLLAKAIAGEAHVPFISVSGSDFVEMFV----------------GVG-AARVRD------LFETAKKHAPCMIFIDEIDAVGRDEREQTLNQLLVEMDGF-----------DTSDGIIVIAATNRPDILDPALLRPGRFDRQIFIPKPDVRGRYEILKVHAR------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 4WW0.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 : 625 -27839 -44.54 -204.70
target 2D structure prediction score : 0.75
Monomeric hydrophicity matching model chain B : 0.62

3D Compatibility (PKB) : -44.54
2D Compatibility (Sec. Struct. Predict.) : 0.75
1D Compatibility (Hydrophobicity) : 0.62
QMean score : 0.478

(partial model without unconserved sides chains):
PDB file : Tito_4WW0.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4WW0-query.scw
PDB file : Tito_Scwrl_4WW0.pdb: