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


Input alignment information:
Query sequenceMKQKRPKYMQIIDAAVEVIAENGYHQSQVSKIAKQAGVADGTIYLYFKNKEDILISLFKEKMGQFIERMEEDIKEKATAKEKLALVISKHFSLLAGDHNLAIVTQLELRQSNLELRQKINEILKGYLNILDGILTEGIQSGEIKEGLDVRLARQMIFGTIDETVTTWVMNDQKYDLVALSNSVLELLVSGIHNK
3WHC Chain:D ((6-193))-----PKYMQIIDAAVEVIAENGYHQSQVSKIAKQAGVADGTIYLYFKNKEDILISLFKEKMGQFIERMEEDIKEKATAKEKLALVISKHFSLLAGDHNLAIVTQLELRQSNLELRQKINEILKGYLNILDGILTEGIQSGEIKEGLDVRLARQMIFGTIDETVTTWVMNDQKYDLVALSNSVLELLVSGIHN-


General information:
TITO was launched using:
RESULT:

Template: 3WHC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output 		Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 688 -116540 -169.39 -619.89
target 2D structure prediction score : 0.70
Monomeric hydrophicity matching model chain D : 0.99

3D Compatibility (PKB) : -169.39
2D Compatibility (Sec. Struct. Predict.) : 0.70
1D Compatibility (Hydrophobicity) : 0.99
QMean score : 0.633

(partial model without unconserved sides chains):
PDB file : Tito_3WHC.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3WHC-query.scw
PDB file : Tito_Scwrl_3WHC.pdb: