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



Input alignment information:
Query sequenceMKAADSVFISKTNIRREEMKKLVVGILILASFGLAACGNSNNTSQADTKKSSTQTETTLTITDSNGDQIEVPNNPEKVVVFDNGSLDTMDALGVGDKVVGAATSSLPEYLSSYKKVESAGGIKEPDLEKINQLQPDLIIISGRQRDFQKDLSQIAPTIFLSLDAKNPWESFQQNVTALGEIFGKQEEAKTQLEELSSAIDQTKKKAEATDKKALVTLVNEGQLSAYGSGSRFGFIHDLFGFEQADDQIEASTHGQSVSYEYVLEKNPDILFVVDRTKAIGGDDSKDDISANELVAQTNAGKNQQIISLEPDVWYL-SGGGLESMKLMIEDVNQAFK
5A1J Chain:A ((12-288))---------------------------------------------------------SFLVKDSLGEN-KIPKNPSKVVILDLGILDTFDALKLNDKVVGVPAKNLPKYLQQFKNKPSVGGVQQVDFEAINALKPDLIIISGRQSKFYDKLKEIAPTLFVGLDNANFLSSFENNVLSVAKLYGLEKEALEKISDIKNEIEKAKSIVD-EDKKALIILTNSNKISAFGPQSRFGIIHDVLGINAVDENIKVGTHGKSINSEFILEKNPDYIFVVDRNVILGNKERAQGILDNALVAKTKAAQNKKIIYLDPEYWYLASGNGLESLKTMILEIKNAVK


General information:
TITO was launched using:
RESULT:

Template: 5A1J.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 : 1541 -123015 -79.83 -445.70
target 2D structure prediction score : 0.69
Monomeric hydrophicity matching model chain A : 0.81

3D Compatibility (PKB) : -79.83
2D Compatibility (Sec. Struct. Predict.) : 0.69
1D Compatibility (Hydrophobicity) : 0.81
QMean score : 0.542

(partial model without unconserved sides chains):
PDB file : Tito_5A1J.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-5A1J-query.scw
PDB file : Tito_Scwrl_5A1J.pdb: