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



Input alignment information:
Query sequenceMKVLVNGRLIGRSEASIDLEDRGYQFGDGIYEVIRVYKGVLFGLREHAERFFRSAAEIGISLPFSIEDLEWDLQKLVQENAVSEGAVYIQTTRGVAPRKHQY-EAGLEPQTTAYTFTVKKPEQEQAYGVAAITDEDLRWLRCDIKSLNLLYNVMTKQRAYEAGAFEAILLRDGVVTEGTSSNVYAVINGTVRTHPANRLILNGITRMNILGLIEKNGIKLDETPVSEEELKQAEEIFISSTTAEIIPVVTLDGQSIGSGKPGPVTKQLQAAFQESIQQAASIS
2DAB Chain:A ((4-280))---LWNDQIVKDEEVKIDKEDRGYQFGDGVYEVVKVYNGEMFTVNEHIDRLYASAEKIRITIPYTKDKFHQLLHELVEKNELNTGHIYFQVTRGTSPRAHQFPENTVKPVIIGYTKENPRPLENLEKGVKATFVEDIRWLRCDIKSLNLLGAVLAKQEAHEKGCYEAILHRNNTVTEGSSSNVFGIKDGILYTHPANNMIAKGITRDVVIACANEINMPVKEIPFTTHEALKMDELFVTSTTSEITPVIEIDGKLIRDGKVGEWTRKLQKQFETKIPKPL---


General information:
TITO was launched using:
RESULT:

Template: 2DAB.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 : 1408 -94870 -67.38 -343.73
target 2D structure prediction score : 0.62
Monomeric hydrophicity matching model chain A : 0.82

3D Compatibility (PKB) : -67.38
2D Compatibility (Sec. Struct. Predict.) : 0.62
1D Compatibility (Hydrophobicity) : 0.82
QMean score : 0.540

(partial model without unconserved sides chains):
PDB file : Tito_2DAB.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2DAB-query.scw
PDB file : Tito_Scwrl_2DAB.pdb: