Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKNLVILSGAGISAESGIKTFRDAGGLWEGHDIMEVASPYGWKKNPQKVLDFYNQRRRQLFEVYPNKAHKALAELEKHY-QVNIITQNVDDLHERAGSSRILHLHGELLSVRSEKDPNLVYRWE--KDLNLGDLAQDK-AQLRPDIVWFGEEVPL--LKEAVSLVKQVHLLIIIGTSLQVYPAASLYTHA-NKDALIYYIDPKAKNARLPQNVQCINENAVHAMQDLMPKLIEMASQEMLK
1M2K Chain:A ((12-245))
SKYLVALTGAGVSAESGIPTFRGKDGLWNRYRPEELANPQAFAKDPEKVWKWYAWRMEKVFNAQPNKAHQAFAELERLGVLKCLITQNVDDLHERAGSRNVIHLHGSLRVVRCTSCNN-SFEVESAPKIPPLPKCDKCGSLLRPGVVWAGEMLPPDVLDRAMREVERADVIIVAGTSAVVQPAASLPLIVKQRGGAIIEINPDETPL-TPIADYSLRGKAGEVMDELVRHVRKALSLKLN-
General information:
TITO was launched using:
RESULT:
Template:
1M2K.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -101946 for 1890 contacts (-53.9/contact) +
2D Compatibility (PS) -24365 + (NN) -11030 + (LL) 396
1D Compatibility (HY) -9200 + (ID) 4550
Total energy: -150695.0 ( -79.73 by residue)
QMean score : 0.471
(partial model without unconserved sides chains):
PDB file :
Tito_1M2K.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1M2K-query.scw
PDB file :
Tito_Scwrl_1M2K.pdb
: