Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEQMDAHQIISFIQNSKKATPVKVYLKGDLEKIDFPSDVKTFITGNAGTVFGEWAVVEPLLEANKANIEDYVIENDRRNSAIPLLDMKNINARIEPGAVIRDQVTIGDNAVIMMGASINIGSVIGDGTMIDMNVVLGGRATVGKNCHIGAGSVLAGVVEPPSAQPVIVEDNVVVGAN------------VVVLEGVRIGE-------------------GAVVAAGAIVTKDVAPGTVVAGIPARELKKLDAKTASKTEIMQELRQL
1KGQ Chain:A ((104-273))
--------------------------------------------------------------------------------------------RVVPPATVRQGAFIARNTV-LMPSYVNIGAYVDEGTMVDTWATVGSCAQIGKNVHLSGGVGIGGVLEPLQANPTIIEDNCFIGARSEVVEGVIVEEGSVISMGVYLGQSTRIYDRETGEIHYGRVPAGSVVVSGNLPSKDGSYSLYCAVI----VKKVDAKTRGKVGINELLRTI
General information:
TITO was launched using:
RESULT:
Template:
1KGQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -115627 for 1001 contacts (-115.5/contact) +
2D Compatibility (PS) -15370 + (NN) -4924 + (LL) 6812
1D Compatibility (HY) -10800 + (ID) 2800
Total energy: -142709.0 ( -142.57 by residue)
QMean score : 0.525
(partial model without unconserved sides chains):
PDB file :
Tito_1KGQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KGQ-query.scw
PDB file :
Tito_Scwrl_1KGQ.pdb
: