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



Input alignment information:
Query sequenceMPNVALFKQDGSQNGEITLNEEIFGIEPNESVVYDAIVMQRASLRQGTHAVKNRSAVRGGGRKPWRQKGTGRARQGSIRSPQWRGGGVVFGPTPRSYSYKLPKKVRRLAMKSVLSEKVAENNLVAIEGLNFDAPKTKEFKQVLANLSIDSKVLVVLEKGNDFAALSARNLPNVSVVTSDNVSVLDVVSNTKVLATQTALTQIEEVLA
3J8G Chain:E ((12-201))----------------LTVSETTFGRDFNEALVHQVVVAYAAGARQGTRAQKTRAEVTGSGKKPWRQKGTGRARSGSIKSPIWRSGGVTFAARPQDHSQKVNKKMYRGALKSILSELVRQDRLIVVEKFSVEAPKTKLLAQKLKDMALED-VLIITGELDENLFLAARNLHKVDVRDATGIDPVSLIAFDKVVMTADAVKQVEEMLA


General information:
TITO was launched using:
RESULT:

Template: 3J8G.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 : 703 -63095 -89.75 -332.08
target 2D structure prediction score : 0.72
Monomeric hydrophicity matching model chain E : 0.80

3D Compatibility (PKB) : -89.75
2D Compatibility (Sec. Struct. Predict.) : 0.72
1D Compatibility (Hydrophobicity) : 0.80
QMean score : 0.536

(partial model without unconserved sides chains):
PDB file : Tito_3J8G.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3J8G-query.scw
PDB file : Tito_Scwrl_3J8G.pdb: