Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDFHIRKATNSDAEAIQHVAITSWHHTYQDLIPGDVQDDFLERFYNVETLHNRISATPFAVVEQADKVIGFANFIELEKGKSELAAFYLLPEVTQRGLGTELLEVGMTLFHVPLPMFVNVEKGNETAIHFYKAKGFVQVEEFTEDFYGYPLETIRFNLNHHAFEEE
2KCW Chain:A ((1-147))
MVISIRRSRHEEGEELVAIWCRSVDATHDFLSAEYRTELEDLVRSFLP------EAPLWVAVNERDQPVGFMLLSG-----QHMDALFIDPDVRGCGVGRVLVEHALSMAPEL---TTNVNEQNEQAVGFYKKVGFKVTGRSEVDDLGKPYPLLNLAYVGA-----
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) -75800 for 1115 contacts (-68.0/contact) +
2D Compatibility (PS) -15422 + (NN) -659 + (LL) 1564
1D Compatibility (HY) -5200 + (ID) 1600
Total energy: -97117.0 ( -87.10 by residue)
QMean score : 0.395
(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
: