Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIVIADDHAVVRTGFSMILNYQNDMEVVATAADGVEAYQKVMEYKPDVLLMDLSMPPGESGLIATSKIADSFPETKILILTMFDDEEYLFHVLRNGAKGYILKNAPDEQLLLAIRTVYKGETYVDMKLTTSLVNEFVSNSNQDTANTTDPFKILSKRELEILPLIAKGYGNKEIAEKLFVSVKTVEAHKTHIMTKLGLKSKPELVEYALKKKLLEF
4LE2 Chain:A ((6-136))
ISIFIAEDQQMLLGALGSLLNLEDDMEVVGKGTTGQDAVDFVKKRQPDVCIMDIEMP-GKTGLEAAEELKDT--GCKIIILTTFARPGYFQRAIKAGVKGYLLKDSPSEELANAIRSVMNGKRIYAPELMEDLY-----------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4LE2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -88058 for 1078 contacts (-81.7/contact) +
2D Compatibility (PS) -14251 + (NN) -11060 + (LL) 6168
1D Compatibility (HY) -12800 + (ID) 2450
Total energy: -122451.0 ( -113.59 by residue)
QMean score : 0.542
(partial model without unconserved sides chains):
PDB file :
Tito_4LE2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4LE2-query.scw
PDB file :
Tito_Scwrl_4LE2.pdb
: