Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNSINIAIDGPASSGKSTVAKIIAKNLNYTYLDTGAMYRCATYLALQHGYEAQDVSKILGLLAERPISFGKAEDGSQTVFIGTEEVTLAIRQNDVTNNVSWVSAIPEIREELVNQQRRIAKDGAIIMDGRDIGTVVLPDAELKIFLVASVDERAERRFKENQEKGIESDFETLKSEIAARDYKDSHREVSPLKAAEDAIEFDTTGVSIEGVVTFIQEKAEKIIDMKN
1KDR Chain:A ((8-213))
-----ITIDGPSGAGKGTLCKAMAEALQWHLLDSGAIYRVLALAALHHHVDVASEDALVPLASHLDVRF-VSTNGNLEVILEGEDVSGEIRTQEVANAASQVAAFPRVREALLRRQRAFRELPGLIADGRDMGTVVFPDAPVKIFLDASSEERAHRRMLQLQEKGFSVNFERLLAEIKERDDRDRNRAVAPLVPAADALVLDSTTLSIEQVIEKALQYARQK-----
General information:
TITO was launched using:
RESULT:
Template:
1KDR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -86035 for 1658 contacts (-51.9/contact) +
2D Compatibility (PS) -21655 + (NN) -7237 + (LL) 664
1D Compatibility (HY) -17200 + (ID) 4350
Total energy: -135813.0 ( -81.91 by residue)
QMean score : 0.503
(partial model without unconserved sides chains):
PDB file :
Tito_1KDR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KDR-query.scw
PDB file :
Tito_Scwrl_1KDR.pdb
: