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



Input alignment information:
Query sequenceMEQPISVTRSNFNDWMVPVFAPANFIPVRGEGSRIWDQENKEYIDFAGGIAVNALGHAHPVAVNALTEQAKKLWHVGNGYTNEPVLRLAKQLTENTFADKVFFCNSGAEANEAALKLARKVGLDSGVAGKSGIVAFNNAFHGRTLFTVSAGGQPKYSQDFAPLPNGISHVAYNDLEAAKAVINEQTCAVIVEPVQGEGGVIPADIEFLKGLRELCDQFGALLIFDEVQTGVGRTGALYAYMNYGVVPDVLTTAKALGGGFPVGAMLTTDKFAPHFSVGTHGTTYGGNPLASAVAGAVFEFINTPEVLEGVKHRHQYFLDALNALNAEYQVFDEIRGQGLLIGCVLKAEYAGKAKDITTWAGEEGLLALIAGPNVVRFTPSLIIPEQDIDEGIARLKRALAKLAK
4ADB Chain:A ((3-396))--QPI--TRENFDEWMIPVYAPAPFIPVRGEGSRLWDQQGKEYIDFAGGIAVNALGHAHPELREALNEQASKFWHTGNGYTNEPVLRLAKKLIDATFADRVFFCNSGAEANEAALKLARKFAHDRYGSHKSGIVAFKNAFHGRTLFTVSAGGQPAYSQDFAPLPADIRHAAYNDINSASALIDDSTCAVIVEPIQGEGGVVPASNAFLQGLRELCNRHNALLIFDEVQTGVGRTGELYAYMHYGVTPDLLTTAKALGGGFPVGALLATEECARVMTVGTHGTTYGGNPLASAVAGKVLELINTPEMLNGVKQRHDWFVERLNTINHRYGLFSEVRGLGLLIGCVLNADYAGQAKQISQEAAKAGVMVLIAGGNVVRFAPALNVSEEEVTTGLDRFAAA------


General information:
TITO was launched using:
RESULT:

Template: 4ADB.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 : 2286 -232895 -101.88 -591.10
target 2D structure prediction score : 0.68
Monomeric hydrophicity matching model chain A : 0.91

3D Compatibility (PKB) : -101.88
2D Compatibility (Sec. Struct. Predict.) : 0.68
1D Compatibility (Hydrophobicity) : 0.91
QMean score : 0.560

(partial model without unconserved sides chains):
PDB file : Tito_4ADB.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4ADB-query.scw
PDB file : Tito_Scwrl_4ADB.pdb: