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



Input alignment information:
Query sequenceMKKWIYVVLVLSIAGIGGFSVHAASSAHEKHLNVSKMNVDDEFKDTDGTFILHDLQKDQTFVYNRKRANQRQTPQSTFKVVNALIGLQVKAVRDEYDVKRWDGVKREFESWNRDHTLGSAMRESAIWYYQALARDIGEERMKTWLHTLSYGNEDISGGIDQFWLQSSLTISPLEQETFLEKLAKEELPFDKPVMKIVKRMMIQEEGDHYTLYGKTGTRLTD--MGLGWFVGFIKTEHGSYVFVTNVDD---SGTKAKNITVDILKKYGLITS
1XA1 Chain:B ((26-253))------------------------------------------FGSNSGSFVMYSMKKDKYYIYNEKESRKRYSPNSTYKIYLAMFGLDRHIINDENSRMSWNHKHYPFDAWNKEQDLNTAMQNSVNWYFERISDQIPKNYTATQLKQLNYGNKNL-GSYKSYWMEDSLKISNLEQVIVFKNMMEQNNHFSKKAKNQLSSSLLIKKNEKYELYGKTGTGIVNGKYNNGWFVGYVITNHDKYYFATHLSDGKPSGKNAELISEKILKEMGVLN-


General information:
TITO was launched using:
RESULT:

Template: 1XA1.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 : 1177 -94827 -80.57 -425.23
target 2D structure prediction score : 0.67
Monomeric hydrophicity matching model chain B : 0.75

3D Compatibility (PKB) : -80.57
2D Compatibility (Sec. Struct. Predict.) : 0.67
1D Compatibility (Hydrophobicity) : 0.75
QMean score : 0.479

(partial model without unconserved sides chains):
PDB file : Tito_1XA1.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1XA1-query.scw
PDB file : Tito_Scwrl_1XA1.pdb: