Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSSPPKIRRYIPADRDATLAIWLEASRVGHGFLGEAELQKQKALVRDHYLDASETWLALDGDTPLGFIGLLDAFIGGLFVAPTAHGRGIGRQLVEHAATLKGALEVEVYAANREALGFYARCGFVESGRRPRDDEGRALEIVQLRREH-
2KCW Chain:A ((1-147))
--MVISIRRSRHEEGEELVAIWCRSVDATHDFLSAEYRTELEDLVRSFLPEAPLWVAVNERDQPVGFMLLSGQHMDALFIDPDVRGCGVGRVLVEHALSMAPELTTNVNEQNEQAVGFYKKVGFKVTGRSEVDDLGKPYPLLNLAYVGA
General information:
TITO was launched using:
RESULT:
Template:
2KCW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -71470 for 1109 contacts (-64.4/contact) +
2D Compatibility (PS) -16606 + (NN) -12847 + (LL) 180
1D Compatibility (HY) -8800 + (ID) 2250
Total energy: -111793.0 ( -100.81 by residue)
QMean score : 0.410
(partial model without unconserved sides chains):
PDB file :
Tito_2KCW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2KCW-query.scw
PDB file :
Tito_Scwrl_2KCW.pdb
: