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



Input alignment information:
Query sequenceMTSPAALITAAEKTWPDL-DYRDPAIPRQGMDHHVAVLG--D--HILRASVTDAYRAQAPTESAVLAELAPLTDTRLPLVLRHTD--DWSFTLHPLIPGRALDAAHWGRLPRSERGQLTDQLASLLTALHSRDIAA-SPYR-----D-------VEPWFHGPAPNPAPRALPAKVDLLREQVTELDLDREDRRVIGEILAGMDDLLDRAHHAHRARLVHGDLYPAHLLWSSGHGLGAIDFSDMNLGDPAVDFAHLSDISPELPDEVLARTGLDH--DPGILDRAWAYKRWDAVFLLVDHLRTGHTGAATAHSLFDAARHPTRPGAR
3JR1 Chain:A ((19-309))-GMWKSISQVLAEQFGAYYFIKHKEKLYSGEMNEIWLINDEVQTVFVKINERSY-RSMFRAEADQLALLAKTNSINVPLVYGIGNSQGHSFLLLEALNKSKNK------------QSSFTIFAEKIAQLHQIQGPDKYGLDFDTWLGPIYQPNDWQTSWAKFFS-------ENRIGWQLQI-CKEK--GLIFGNIDLIVQIVADTL--SKHNPKPSILHGNLWIENCIQVDD-KIFVCNP-ACYWGDRECDIAFSSLFE-PFPTNFYQRYNEIYPLEEGYLERKLIYQLYYLLNFSYRYYNKKQSYVSLTQKLINQILHK------


General information:
TITO was launched using:
RESULT:

Template: 3JR1.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 : 1343 12592 9.38 46.81
target 2D structure prediction score : 0.59
Monomeric hydrophicity matching model chain A : 0.64

3D Compatibility (PKB) : 9.38
2D Compatibility (Sec. Struct. Predict.) : 0.59
1D Compatibility (Hydrophobicity) : 0.64
QMean score : 0.361

(partial model without unconserved sides chains):
PDB file : Tito_3JR1.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3jr1-query.scw
PDB file : Tito_Scwrl_3JR1.pdb: