Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGLSDWELAAARAAIARGLDEDLRYGPDVTTLATVPASATTTASLVTREAGVVAGLDVALLTLNEVLGTNGYRVLDRVEDGARVPPGEALMTLEAQTRGLLTAERTMLNLVGHLSGIATATAAWVDAVRGTKAKIRDTRKTLPGLRALQKYAVRTGGGVNHRLGLGDAALIKDNHVAAAGSVVDALRAVRNAAPDLPCEVEVDSLEQLDAVLPEKPELILLDNFAVWQTQTAVQRRDSRAPTVMLESSGGLSLQTAATYAETGVDYLAVGALTHSVRVLDIGLDM
3GNN Chain:A ((25-296))
------FDAAIARNVADALAEDVG-SG-----L-VPDGAPRRARVIVREDAVLCGVPWFDAVVR-AV-DPSIEVDWRHREGDRMSADSTVCELRGPARALLTAERNALNFLQLLSGVASATRQYVDRIADTRARILDTRKTLPGLRLAQKYAVRVGGGANQ-------------------GVGEALDAAFALN--VPVQIEVETLDQLRTALAHGARSVLLDNFTLDMMRDAVRVT---EGRAVLEVSGGVNFDTVRAIAETGVDRISIGALTKDVRATDYSMRI
General information:
TITO was launched using:
RESULT:
Template:
3GNN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -141893 for 1965 contacts (-72.2/contact) +
2D Compatibility (PS) -27186 + (NN) -17071 + (LL) 1620
1D Compatibility (HY) -17200 + (ID) 4800
Total energy: -206530.0 ( -105.10 by residue)
QMean score : 0.683
(partial model without unconserved sides chains):
PDB file :
Tito_3GNN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GNN-query.scw
PDB file :
Tito_Scwrl_3GNN.pdb
: