Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQTIHIGVLSASDRASKGVYEDLSGKAIQEVLSEYLLNPLEFHYEIVADERDLIEKSLIKMCDEYQCDLVVTTGGTGPALRDITPEATKKVCQKMLPGFGELMRMTSLKYVPTAILSRQSAGIRNKSLIINLPGKPKSIRECLEAVFPAIPYCVDLILGNYMQVNEKNIQAFRPKQ
4XCW Chain:A ((3-178))
MQTIHIGVLSAS-----GVYEDLSGKAIQEVLSEYLLNPLEFHYEIVADERDLIEKSLIKMCDEYQCDLVVTTGGTGPALRDITPEATKKVCQKMLPGFGELMRMTSLKYVPTAILSRQSAGIRNKSLIINLPGKPKSIRECLEAVFPAIPYCVDLILGNYMQVNEKNIQAFRPKQ
General information:
TITO was launched using:
RESULT:
Template:
4XCW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -120596 for 1413 contacts (-85.3/contact) +
2D Compatibility (PS) -17986 + (NN) -3409 + (LL) 204
1D Compatibility (HY) -26800 + (ID) 8550
Total energy: -177137.0 ( -125.36 by residue)
QMean score : 0.455
(partial model without unconserved sides chains):
PDB file :
Tito_4XCW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4XCW-query.scw
PDB file :
Tito_Scwrl_4XCW.pdb
: