Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNEAIERRDDDMTIVSFEVEISAPIQEVFALLTTNTGLAKWFNELEVGELGADGYLLFVMTPEEKITMPIRAFEPNQKLAFEWDQDEVAFELNEITANKTRLTFTEQLT-TITEHSPRDISGWHICLKKLQASAEGKIYDFNKTEFKTLFAKYQKELNIEK
2NN5 Chain:A ((30-179))
------RLENQTIYFGTERAISASPQTIWRYLTETDKLKQWFPELEIGELGVNGFWRFIL-PDFEETMPFTDYAEEKYLGVTWDTGIIYFDLKEQAPHQTLLVFSESLPENFTTPRHKDIAGWSIVLNRLKQVVETPDAAPEKIDFPQIENHYLEKL----
General information:
TITO was launched using:
RESULT:
Template:
2NN5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -47807 for 1054 contacts (-45.4/contact) +
2D Compatibility (PS) -15779 + (NN) -1268 + (LL) 1028
1D Compatibility (HY) -12000 + (ID) 2400
Total energy: -78226.0 ( -74.22 by residue)
QMean score : 0.499
(partial model without unconserved sides chains):
PDB file :
Tito_2NN5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NN5-query.scw
PDB file :
Tito_Scwrl_2NN5.pdb
: