Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEAPGPAQAAAAESNSREVTEDAADWAPALCPSPEARSPEAPAYRLQDCDALVTMGTGTFGRVHLVKEKTAKHFFALKVMSIPDVIRRKQEQHVHNEKSVLKEVSHPFLIRLFWTWHEERFLYMLMEYVPGGELFSYLRNRGHFSSTTGLFYSAEIICAIEYLHS-KEIVYRDLKPENILLDRDGHIKLTDFGFAKKLV---DRTWTLCGTPEYLAPEVIQSKGHGRAVDWWALGILIFEMLSGFPPFFDDNPFGIYQKILAGKLYFPRHLDFHVKTGRMM
4GV1 Chain:A ((4-237))
------------------------------------------RVTMNEFEYLKLLGKGTFGKVILVKEKATGRYYAMKILKKEVIVAKDEVAHTLTENRVLQNSRHPFLTALKYSFQTHDRLCFVMEYANGGELFFHLSRERVFSEDRARFYGAEIVSALDYLHSEKNVVYRDLKLENLMLDKDGHIKITDFGLCKEGIKDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHEKLFELILMEEIRFPRTLGPEAKSLLSG
General information:
TITO was launched using:
RESULT:
Template:
4GV1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -163379 for 1753 contacts (-93.2/contact) +
2D Compatibility (PS) -23935 + (NN) -5759 + (LL) 2016
1D Compatibility (HY) -23600 + (ID) 4950
Total energy: -219607.0 ( -125.27 by residue)
QMean score : 0.418
(partial model without unconserved sides chains):
PDB file :
Tito_4GV1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4GV1-query.scw
PDB file :
Tito_Scwrl_4GV1.pdb
: