Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRALLLSGCLALVLLTQQAAAQTLLVVGDSISAALGLDTSQGWVALLQKRLADEGYDYRVVNASISGDTSAGGLARLPALLAEEKPALVVIELGGNDGLRGMAPAQLQQNLASMAQKARAEGAKVLLLGIQLPPNYGPRYIEAFSRVYGAVAAQEKTALVPFFLEGVGGVQGMMQADGIHPALAAQPRLLENVWPTLKPLL-
1IVN Chain:A ((1-179))
--------------------ADTLLILGDSLSAGYRMSASAAWPALLNDKWSK----TSVVNASISGDTSQQGLARLPALLKQHQPRWVLVELGGNDGLRGFQPQQTEQTLRQILQDVKAANAEPLLMQIRLPANYGRRYNEAFSAIYPKLAKEFDVPLLPFFMEEVYLKPQWMQDDGIHPNRDAQPFIADWMAKQLQPLVN
General information:
TITO was launched using:
RESULT:
Template:
1IVN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -111546 for 1450 contacts (-76.9/contact) +
2D Compatibility (PS) -19401 + (NN) -9642 + (LL) 2404
1D Compatibility (HY) -17200 + (ID) 4400
Total energy: -159785.0 ( -110.20 by residue)
QMean score : 0.632
(partial model without unconserved sides chains):
PDB file :
Tito_1IVN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1IVN-query.scw
PDB file :
Tito_Scwrl_1IVN.pdb
: