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



Input alignment information:
Query sequenceMALVLDGRALAKQIEENLLVRVEALKAKTGRTPILATILVGDDGASATYVRMKGNACRRVGMDSLKIELPQETTTEQLLAEIEKLNANPDVHGILLQHPVPAQIDERACFDAISLAKDVDGVTCLGFGRMAMGEAAYGSATPAGIMTILKENNIEIAGKHAVVVGRSAILGKPMAMMLLQANATVTICHSRTQNLPELVKQADIIVGAVGKAELIQKDWIKQGAVVVDAGFHPRDGGGVGDIQLQGIEEIASAYTPVPGGVGPMTITTLIRQTVEAAEKALG
4B4U Chain:A ((22-303))MALVLDGRALAKQIEENLLVRVEALKAKTGRTPILATILVGDDGASATYVRMKGNACRRVGMDSLKIELPQETTTEQLLAEIEKLNANPDVHGILLQHPVPAQIDERACFDAISLAKDVDGVTCLGFGRMAMGEAAYGSATPAGIMTILKENNIEIAGKHAVVVGRSAILGKPMAMMLLQANATVTICHSRTQNLPELVKQADIIVGAVGKAELIQKDWIKQGAVVVDAGFHPRDGGGVGDIQLQGIEEIASAYTPVPGGVGPMTITTLIRQTVEAAEKALG


General information:
TITO was launched using:
RESULT:

Template: 4B4U.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 : 1644 -212057 -128.99 -751.98
target 2D structure prediction score : 0.63
Monomeric hydrophicity matching model chain A : 1.00

3D Compatibility (PKB) : -128.99
2D Compatibility (Sec. Struct. Predict.) : 0.63
1D Compatibility (Hydrophobicity) : 1.00
QMean score : 0.610

(partial model without unconserved sides chains):
PDB file : Tito_4B4U.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4B4U-query.scw
PDB file : Tito_Scwrl_4B4U.pdb: