Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRNDLETLKHIIDSSNRITFFTGAGVSVASGVPDFRSMGGLFDEISKDGLSPEYLLSRDYLEDDPEGFINFCHKRLLFV-DTKPNIVHDWIAKLERNQQSLGVITQNIDGLHSDAGSQHVDELHGTLNRFYCNACHKSY-TKSDVIDRTLKHCDNCGGAIRPDIVLYGEMLDQPTIIRALNKIEHADTLVVLGSSLVVQPAAG--LISHFKGDNLIIINKDRTPYDSDATLVIHDDMVSVVKSLMTE
1M2K Chain:A ((3-216))
-----EKLLKTIAESKYLVALTGAGVSAESGIPTFRGKDGLWNR-----YRPEELANPQAFAKDPEKVWKWYAWRMEKVFNAQPNKAHQAFAELERLGVLKCLITQNVDDLHERAGSRNVIHLHGSLRVVRCTSCNNSFEVESAPKIPPLPKCDKCGSLLRPGVVWAGEMLPPDVLDRAMREVERADVIIVAGTSAVVQPAASLPLIVKQRGGAIIEINPDETP-----------------------
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) -81464 for 1643 contacts (-49.6/contact) +
2D Compatibility (PS) -22678 + (NN) -8160 + (LL) 2224
1D Compatibility (HY) -12400 + (ID) 4300
Total energy: -126778.0 ( -77.16 by residue)
QMean score : 0.440
(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
: