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



Input alignment information:
Query sequenceMFVWYNLFLKKEREVISMRKWTKGFLIFGVVTTVIGFILLFVGIQSDGIKSLLSMSKEPVYDSRTEKLTFGKEVENLEITLHQHTLTITDSFDDQIHISYHPSLSAHHDLITNQNDRTLSLTDKKLSETPFLSSGIGGILHIASSYSSRFEEVILRLPKGRTLKGINISANRGQTTII-NASLENATLN-TNSYILRIEGSRIKNSKLT--TPNIVNIFDTVLTDSQLES-TENHFHAENIQVHGKVELT-AK-DYLRIILDQKESQRINWDISSNYGSIFQFTREKPESRGTELSNPYKTEKTDVKDQLIARSDDNIDLISTPSRR
3PET Chain:B ((13-205))----------------------------------------------------------------TRDYKV-KEFNKIDAGT-VGNIYYTQSTDGKTDLQIYGPDNIVALIQVAVKDNTLFLSIDKSK----KV---R---------NFKKMKITITSPT---LNGISFK-GVGDVHIENGLTTDNLDIESKGVGNVDIQSLTCQKLNVQSMGVGDVKLEG-TAQIAALHSKGVGNIEAGNLRA-NAVEASSQGVGDITCNATES----IDAAV-RGVGSIKYKGSP-----------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 3PET.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 : 1113 -15433 -13.87 -82.97
target 2D structure prediction score : 0.52
Monomeric hydrophicity matching model chain B : 0.60

3D Compatibility (PKB) : -13.87
2D Compatibility (Sec. Struct. Predict.) : 0.52
1D Compatibility (Hydrophobicity) : 0.60
QMean score : 0.246

(partial model without unconserved sides chains):
PDB file : Tito_3PET.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3PET-query.scw
PDB file : Tito_Scwrl_3PET.pdb: