Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKIVLLLALITVVLTVGACSDNKKETEEKANKTEEESATFLTTISTKDFK-QKMADKTTGFVYVGRPTCEDCQAFQPILKKELKKRQPDQKMAYYNTDKASEKSRDNMIALLEKMDIDSVPTMVYLKDGKVASTYAATDEPAKLTNWMNKVSGEVSE
2I4A Chain:A ((6-106))
-------------------------------------------AVSDSSFDQDVLKASGLVLVDFWAEWCGPCKMIGPALGEIGKEFAGKVTVAKVNIDDNP--------ETPNAYQVRSIPTLMLVRDGKVIDKKVGALPKSQLKAWVESA------
General information:
TITO was launched using:
RESULT:
Template:
2I4A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -33436 for 706 contacts (-47.4/contact) +
2D Compatibility (PS) -10972 + (NN) -8330 + (LL) 4728
1D Compatibility (HY) -6000 + (ID) 1000
Total energy: -55010.0 ( -77.92 by residue)
QMean score : 0.596
(partial model without unconserved sides chains):
PDB file :
Tito_2I4A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2I4A-query.scw
PDB file :
Tito_Scwrl_2I4A.pdb
: