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



Input alignment information:
Query sequenceMLEKDIERILISQEEIQVRCKELGKELTEIYQNTNPLVVGVLKGAVPFMADIVRSIDTYLELDFMDVSSYGNATVSSGEVKIVKDLDTNVEGRDLLIVEDIIDSGRTLAYLVDLFKYRKAKSVKIVTLLDKPEGRVVNIEADYVGFNVPNEFVVGYGLDYAEAYRNLPYIGVLKPSVYQSN
3KB8 Chain:B ((25-204))MMNQDIEKVLISEEQIQEKVLELGAIIAEDYKNTVPLAIGVLKGAMPFMADLLKRTDTYLEMDFMAVSSYGHSTVSTGEVKILKDLDTSVEGRDILIVEDIIDSGLTLSYLVDLFKYRKAKSVKIVTLLDKPTGRKVDLKADYVGFTVPHEFVVGYGLDYKEQYRNLPYVGVLKPSVYSN-


General information:
TITO was launched using:
RESULT:

Template: 3KB8.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 : 867 -142054 -163.84 -789.19
target 2D structure prediction score : 0.66
Monomeric hydrophicity matching model chain B : 0.93

3D Compatibility (PKB) : -163.84
2D Compatibility (Sec. Struct. Predict.) : 0.66
1D Compatibility (Hydrophobicity) : 0.93
QMean score : 0.556

(partial model without unconserved sides chains):
PDB file : Tito_3KB8.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3KB8-query.scw
PDB file : Tito_Scwrl_3KB8.pdb: