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



Input alignment information:
Query sequenceMSFFKKLKEKITKQTDSVSEKFKDGLEKTRNSFQNKVNDLVSRYRKVDEDFFEELEEVLISADVGFTTVMELIDELKKEVKRRNI--------QDPKEVQSVISEKLVEIYNSGD--EQISELNIQDGRLNVILLVGVNGVGKTTTIGKLAHKMKQEGKSVVLAAGDTFRAGAIEQLEVWGERTGVPVIKQTAGSDPAAVIYDAVHAAKARNADVLICDTAGRLQNKVNLMKELEKVKRVIEREVPEAPHEVLLALDATTGQNAMAQAKEFSKATNVTGIALTKLDGTAKGGIVLAIRNELHIPVKLVGLGEKVDDLQEFDPESYVYGLFSDLVEKADD
3DMD Chain:B ((56-324))---------------------------------------------------LDELEIDLLEADVA----LEVVDALREKIKQKLVGKKVRIGTDKGKIIEEAVKEAVSEILETSRRIDLIEEIRKAE-KPYVIMFVGFNGSGKTTTIAKLANWLKNHGFSVVIAASDTFRAGAIEQLEEHAKRIGVKVIKHSYGADPAAVAYDAIQHAKARGIDVVLIDTAGRSETNRNLMDEMKKIARVTK------PNLVIFVGDALAGNAIVEQARQFNEAVKIDGIILTKLDADARGGAALSISYVIDAPILFVGVGQGYDDLRPFEKEWFLERIFG--------


General information:
TITO was launched using:
RESULT:

Template: 3DMD.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 : 1323 -162104 -122.53 -625.88
target 2D structure prediction score : 0.74
Monomeric hydrophicity matching model chain B : 0.79

3D Compatibility (PKB) : -122.53
2D Compatibility (Sec. Struct. Predict.) : 0.74
1D Compatibility (Hydrophobicity) : 0.79
QMean score : 0.507

(partial model without unconserved sides chains):
PDB file : Tito_3DMD.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3DMD-query.scw
PDB file : Tito_Scwrl_3DMD.pdb: