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



Input alignment information:
Query sequenceMNNGHLNQILLITDGCSNHGEDPLAMAAFAKEQGITVNVIGIMEENQIDPEAMKEVEGIALAGGGVHQVVYASQLSQTVQMVTKKAMTQTLQGVVNQELKQILGKNVEMEELSPEKRGEVMEVVDELGETVHLQVLVLVDTSASMAPKLPTVKEALIDLSVSLNSRIGNNEFAMCIFPGKKQEVELVLNWTPKLQSLSTLFAKLS---TGGITPTGPAIREATLQFEKI----RSRRGMLADDERRFDEFGM
1SHU Chain:X ((5-116))----------------------------------------------------------------------------------------------------------------------------------RAFDLYFVLDKSGSVANNWIEIYNFVQQLAERFVS--PEMRLSFIVFSSQATIILPLT---GDRGKISKGLEDLKRVSPVGETYIHEGLKLANEQIQKAGGLKTSSIIIALTDGKLD-----


General information:
TITO was launched using:
RESULT:

Template: 1SHU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -42462 for 760 contacts (-55.9/contact) +
2D Compatibility (PS) -10974 + (NN) -1414 + (LL) 10440
1D Compatibility (HY) -5200 + (ID) 800
Total energy: -50410.0 ( -66.33 by residue)
QMean score : 0.442

(partial model without unconserved sides chains):
PDB file : Tito_1SHU.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1SHU-query.scw
PDB file : Tito_Scwrl_1SHU.pdb: