Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNSINIAIDGPASSGKSTVAKIIAKNLNYTYLDTGAMYRCATYLALQHGYEAQDVSKILGLLAERPISFGKAEDGSQTVFIGTEEVTLAIRQNDVTNNVSWVSAIPEIREELVNQQRRIAKDGAIIMDGRDIGTVVLPDAELKIFLVASVDERAERRFKENQEKGIESDFETLKSEIAARDYKDSHREVSPLKAAEDAIEFDTTGVSIEGVVTFIQEKAEKIIDMKN
1KDT Chain:B ((8-213))
-----ITIDGPSGAGKGTLCKAMAEALQWHLLDSGAIYRVLALAALHHHVDVASEDALVPLASHLDVRF-VSTNGNLEVILEGEDVSGEIRTQEVANAASQVAAFPRVREALLRRQRAFRELPGLIADGRDMGTVVFPDAPVKIFLDASSEERAHRRMLQLQEKGFSVNFERLLAEIKERDDRDRNRAVAPLVPAADALVLDSTTLSIEQVIEKALQYARQKLA---
General information:
TITO was launched using:
RESULT:
Template:
1KDT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -82201 for 1624 contacts (-50.6/contact) +
2D Compatibility (PS) -21583 + (NN) -6825 + (LL) 440
1D Compatibility (HY) -17200 + (ID) 4350
Total energy: -131719.0 ( -81.11 by residue)
QMean score : 0.523
(partial model without unconserved sides chains):
PDB file :
Tito_1KDT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KDT-query.scw
PDB file :
Tito_Scwrl_1KDT.pdb
: