Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
---------MN-EAIERRDDDMTIVSFEVEISAPIQEVFALLTTNTGLAKWFNELEVGELGADGYLLFVMTPEEKITM-PIRAFEPNQKLAFEWDQDEVAFELNEITANKTRLTFTEQ-LTTITEHSPRDISGWHICLKKLQASAEGKIYDFNKTEFKTLFAKYQKELNIEK-
2NN5 Chain:A ((14-184))
GTENLYFQSNAMKDTFRLENQTIYFGTERAISASPQTIWRYLTETDKLKQWFPELEIGELGVNGFWRFILPDFEE--TMPFTDYAEEKYLGVTWDTGIIYFDLKEQAPHQTLLVFSESLPENFTTPRHKDIAGWSIVLNRLKQVVETPDAAPEKIDFPQIENHYLEKLTNLEN
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) -27579 for 1121 contacts (-24.6/contact) +
2D Compatibility (PS) -16618 + (NN) -573 + (LL) 256
1D Compatibility (HY) -9600 + (ID) 2250
Total energy: -56364.0 ( -50.28 by residue)
QMean score : 0.462
(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
: