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



Input alignment information:
Query sequenceMSIEKFSVEKVLSVHRWTPTLFSFTMTRPSHFKFTAGQFARIGLKVGDELIVRAYSVVSSPFDETLEFFSIVVPDGAFTSNLQHLKVGDELYLEKIPYGYLTLARYQQPLPHDLWLLATGTGLAPFLSMLQDFETWSNYQKINLVYSVRTAAELAYVDRIQEIAETFGEGHLGFKFIPIITRDPSA-PLHERLPVLIENGELEKVAGLELSPASSHVMLCGNPQMVDDTKEALK--RCGLTMNRRGEGNIAVENYW
1FDR Chain:A ((8-248))---------KVTKVQNWTDALFSLTVHAPV-LPFTAGQFTKLGLEI---RVQRAYSYVNSPDNPDLEFYLVTVPDGKLSPRLAALKPGDEVQVVSEAAGFFVLD--EVPHCETLWMLATGTAIGPYLSILRLGKDLDRFKNLVLVHAARYAADLSYLPLMQELEKRY-EGKL--RIQTVVSRETAAGSLTGRIPALIESGELESTIGLPMNKETSHVMLCGNPQMVRDTQQLLKETRQMTKHLRRRPGHMTAEHYW


General information:
TITO was launched using:
RESULT:

Template: 1FDR.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 : 1317 -139796 -106.15 -594.87
target 2D structure prediction score : 0.52
Monomeric hydrophicity matching model chain A : 0.81

3D Compatibility (PKB) : -106.15
2D Compatibility (Sec. Struct. Predict.) : 0.52
1D Compatibility (Hydrophobicity) : 0.81
QMean score : 0.526

(partial model without unconserved sides chains):
PDB file : Tito_1FDR.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1FDR-query.scw
PDB file : Tito_Scwrl_1FDR.pdb: