Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSEPLILDA-PNADACIIWLHGLGADRTDFKPVAEALQMVLPSTRFILPQAPSQAVTVNGGWVMPSWYDILAFSPARAIDEDQLNASADQVIALIDEQRAKGIAAERIILAGFSQGGAVVLHTAFRRY-AQPLGGVLALSTYAPTFDDLALDERHKR-IPVLHLHGSQDDVVDPALGRAAHDALQAQGVEVGWHDYPMGHEVSLEEIHDIGAWLRKRL
1AUO Chain:A ((1-217))
MTEPLILQPAKPADACVIWLHGLGADRYDFMPVAEALQESLLTTRFVLPQAPTRPVTINGGYEMPSWYDIKAMSPARSISLEELEVSAKMVTDLIEAQKRTGIDASRIFLAGFSQGGAVVFHTAFI-NWQGPLGGVIALSTYAPTFGDELELSASQQRIPALCLHGQYDDVVQNAMGRSAFEHLKSRGVTVTWQEYPMGHEVLPQEIHDIGAWLAARL
General information:
TITO was launched using:
RESULT:
Template:
1AUO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -159695 for 1799 contacts (-88.8/contact) +
2D Compatibility (PS) -22873 + (NN) -10024 + (LL) 100
1D Compatibility (HY) -21200 + (ID) 6750
Total energy: -220442.0 ( -122.54 by residue)
QMean score : 0.595
(partial model without unconserved sides chains):
PDB file :
Tito_1AUO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1AUO-query.scw
PDB file :
Tito_Scwrl_1AUO.pdb
: