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



Input alignment information:
Query sequenceMNFDRNTPIAFLGIGLMGNRMASHLIQAGFQVAVWNRT-ASACEELIDIGAHALDLSNIGQYPLILTCLADDKAVQAVFDQIQTNLKAGQVIVDFSSLSVAATKALAQAAALQDVIWIDSPVSGGTAGAEQGTLVIFAGGDAQTIEALSPVYNVLSQRVTRMGDTGTGQATKICNQLIVAANSALIAEAVALADRAGVDTTLLAPALAGGFADSKPFQILAP-RMATHTFEPVQWKVQTLSKDLNNAVTLANNVNLDIPVAQKALLQLQTHQKNSFAEKDLATMIQVVEQ
1WP4 Chain:A ((4-282))--------VAFIGLGAMGYPMAGHLARR-FPTLVWNRTFEKALRHQEEFGSEAVPLERVAEARVIFTCLPTTREVYEVAEALYPYLREGTYWVDATSGEPEASRRLAERLREKGVTYLDAPVSGGTSGAEAGTLTVMLGGPEEAVERVRP-FLAYAKKVVHVGPVGAGHAVKAINNALLAVNLWAAGEGLLALVKQGVSAEKALEVINASSGRSNATENLIPQRVLTRAF-PKTFALGLLVKDLGIAMGVLDGEKAPSPLLRLAREVYEMAKRELGPDADHVEALRLLER


General information:
TITO was launched using:
RESULT:

Template: 1WP4.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 : 1507 -31085 -20.63 -112.22
target 2D structure prediction score : 0.67
Monomeric hydrophicity matching model chain A : 0.76

3D Compatibility (PKB) : -20.63
2D Compatibility (Sec. Struct. Predict.) : 0.67
1D Compatibility (Hydrophobicity) : 0.76
QMean score : 0.455

(partial model without unconserved sides chains):
PDB file : Tito_1WP4.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1WP4-query.scw
PDB file : Tito_Scwrl_1WP4.pdb: