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



Input alignment information:
Query sequenceMFKFKKNFLVGLSAALMSISLFSATASAASTDYWQNWTDGGGIVNAVNGSGGNYSVNWSNTGNFVVGKGWTTGSPFRTINYNAGVWAPNGNGYLTLYGWTRSPLIEYYVVDSWGTYRPTGTYKGTVKSDGGTYDIYTTTRYNAPSIDGDRTTFTQYWSVRQSKRPTGSNATITFSNHVNAWKSHGMNLGSNWAYQVMATEGYQSSGSSNVTVW
3EXU Chain:B ((1-185))----------------------------ASTDYWQNWTFGGGIVNAVNGSGGNYSVNWSNTGNFVVGKGWTTGSPFRTINYNAGVWAPNGNGYLTLYGWTRSPLIEYYVVDSWGTYRPTGTYKGTVKSDGGTYDIYTTT------------TFTQYWSVRQSKRPTGSNATITFSNHVNAWKSHGMNLGSNWAYQVMATEGYQSSGSSNVTVW


General information:
TITO was launched using:
RESULT:

Template: 3EXU.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 : 1039 -41088 -39.55 -237.50
target 2D structure prediction score : 0.55
Monomeric hydrophicity matching model chain B : 0.89

3D Compatibility (PKB) : -39.55
2D Compatibility (Sec. Struct. Predict.) : 0.55
1D Compatibility (Hydrophobicity) : 0.89
QMean score : 0.533

(partial model without unconserved sides chains):
PDB file : Tito_3EXU.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3EXU-query.scw
PDB file : Tito_Scwrl_3EXU.pdb: