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



Input alignment information:
Query sequenceMAAFNVERITYVHHWNDTLFSFKTTRDASLRFKNGQFVMIGLEVNGKPLMRAYSIASANYEEELEFFSIKVQDGPLTSILQKVQVGDEILVSKKPTGTLVHDDLLPGKNLYLLSSGTGLAPFLSIIRDPETYERFEKVIVVHGTRYISELAYQDLILNELPNNEFFEELGIKDKLVYYPTVTREPFHTQGRVTTAIETGALFEKIGLPRFNRETDRAMLCGSPAFLKDVAALLDQHGLVESPRMGEMGDYVIERAFVEK
1A8P Chain:A ((2-258))-SNLNVERVLSVHHWNDTLFSFKTTRNPSLRFENGQFVMIGLEVDGRPLMRAYSIASPNYEEHLEFFSIKVQNGPLTSRLQHLKEGDELMVSRKPTGTLVTSDLLPGKHLYMLSTGTGLAPFMSLIQDPEVYERFEKVVLIHGVRQVNELAYQQFITEHLPQSEYFGE-AVKEKLIYYPTVTRESFHNQGRLTDLMRSGKLFEDIGLPPINPQDDRAMICGSPSMLDESCEVLDGFGLKISPRMGEPGDYLIERAFVEK


General information:
TITO was launched using:
RESULT:

Template: 1A8P.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1414 -166769 -117.94 -648.91
target 2D structure prediction score : 0.65
Monomeric hydrophicity matching model chain A : 0.93

3D Compatibility (PKB) : -117.94
2D Compatibility (Sec. Struct. Predict.) : 0.65
1D Compatibility (Hydrophobicity) : 0.93
QMean score : 0.586

(partial model without unconserved sides chains):
PDB file : Tito_1A8P.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1A8P-query.scw
PDB file : Tito_Scwrl_1A8P.pdb: