Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKRHFETTRRIVIKVGTSSLVQTSGKINLSKIDHLAFVISSLMNRGMEVILVSSGAMGFGLDILKMDKRPQEISQQQAVSSVGQVAMMSLYSQIFSHYQTHVSQILLTRDVVVFPESLQNVTNSFESLLSMGILPIVNENDAVSVDEMDHKTKFGDNDRLSAVVAKITKADLLIMLSDIDGLFDKNPNIYDDAVLRSHVSEITDDIIKSAGGAGSKFGTGGMLSKIKSAQMVFDNNGQMILMNGANPRDILKVLDGHNIGTYFAQGK
2AKO Chain:A ((2-229))
--------KRIVVKVG-SHVISEENTLSFERLKNLVAFLAKLMEK-YEVILVTSAAISAGHTKLDIDRK--NLINKQVLAAIGQPFLISVYNELLAKFNKLGGQILLTGKDFDSRKATKHAKNAIDMMINLGILPIINENDATAIEEI----VFGDNDSLSAYATHFFDADLLVILSDIDGFYDKNPSEFSDAKRLEKITHIKEEWL---------HGTGGIVTKLKAAKFLLEHNKKMFLASGFDLSVAKTFLLEDKQIGGTLFE-
General information:
TITO was launched using:
RESULT:
Template:
2AKO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -147510 for 1771 contacts (-83.3/contact) +
2D Compatibility (PS) -23858 + (NN) -11180 + (LL) 688
1D Compatibility (HY) -21600 + (ID) 3900
Total energy: -207360.0 ( -117.09 by residue)
QMean score : 0.456
(partial model without unconserved sides chains):
PDB file :
Tito_2AKO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AKO-query.scw
PDB file :
Tito_Scwrl_2AKO.pdb
: