Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKGLMISFEGPDGAGKTTVLEAVLPLLREKLSQDILTTREPGGVTISEEIRHIILDVKHTQMDKKTELLLYMAARRQHLVEKVLPALEEGKIVLMDRFIDSSVAYQGSGRGLDKSHIKWLNDYATDSHKPDLTLYFDVPSEVGLERIQKSVQREVNRLDLEQLDMHQRVRQGYLELADSEPNRIVTIDASQQLDEVIA---ETFSIILDRINQ
4ESH Chain:A ((6-212))
---GLFVTLEGPEGAGKSTNRDYLAERLRER-GIEVQLTREPGGTPLAERIRELLLAPSDEPMAADTELLLMFAARAQHLAGVIRPALARGAVVLCDRFTDATYAYQGGGRGLPEARIAALESFVQGDLRPDLTLVFDLPVEIGLAR------GRLDRFEQEDRRFFEAVRQTYLQRAAQAPERYQVLDAGLPLAEVQAGLDRLLPNLLERLN-
General information:
TITO was launched using:
RESULT:
Template:
4ESH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -66086 for 1505 contacts (-43.9/contact) +
2D Compatibility (PS) -21817 + (NN) -12511 + (LL) 1304
1D Compatibility (HY) -14400 + (ID) 4300
Total energy: -117810.0 ( -78.28 by residue)
QMean score : 0.577
(partial model without unconserved sides chains):
PDB file :
Tito_4ESH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4ESH-query.scw
PDB file :
Tito_Scwrl_4ESH.pdb
: