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



Input alignment information:
Query sequenceMPNVALFKQDGSQNGEITLNEEIFGIEPNESVVYDAIVMQRASLRQGTHAVKNRSAVRGGGRKPWRQKGTGRARQGSIRSPQWRGGGVVFGPTPRSYSYKLPKKVRRLAMKSVLSEKVAENNLVAIEGLNFDAPKTKEFKQVLANLSIDSKVLVVLEKGNDFAALSARNLPNVSVVTSDNVSVLDVVSNTKVLATQTALTQIEEVLA
3J3V Chain:E ((2-207))-PKVALYNQNGSTAGDIELNASVFGIEPNESVVFDAILMQRASLRQGTHKVKNRSEVRGGGRKPWRQKGTGRARQGSIRSPQWRGGGVVFGPTPRSYSYKLPKKVRRLAIKSVLSSKVIDNNIIVLEDLTLDTAKTKEMAAILKGLSVEKKALIVTADANEAVALSARNIPGVTVVEANGINVLDVVNHEKLLITKAAVEKVEEVLA


General information:
TITO was launched using:
RESULT:

Template: 3J3V.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 884 -84977 -96.13 -412.51
target 2D structure prediction score : 0.74
Monomeric hydrophicity matching model chain E : 0.92

3D Compatibility (PKB) : -96.13
2D Compatibility (Sec. Struct. Predict.) : 0.74
1D Compatibility (Hydrophobicity) : 0.92
QMean score : 0.438

(partial model without unconserved sides chains):
PDB file : Tito_3J3V.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3J3V-query.scw
PDB file : Tito_Scwrl_3J3V.pdb: