Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQVTDMRSNSQGLSLTDSVYERLLSERIIFLGSEVNDEIANRLCAQILLLAAEDASKDISLYINSPGGSISAGMAIYDTMVLAPCDIATYAMGMAASMGEFLLAAGTKGKRYALPHARILMHQPLGGVTGSAADIAIQAEQFAVIKKEMFRLNAEFTGQPIERIEADSDRDRWFTAAEALEYGFVDHIITRAHVNGEAQ
2CE3 Chain:A ((15-191))
--------------SLTDSVYERLLSERIIFLGSEVNDEIANRLCAQILLLAAEDASKDISLYINSPGGSISAGMAIYDTMVLAPCDIATYAMGMAASMGEFLLAAGTKGKRYALPHARILMHQP----------IAIQAEQFAVIKKEMFRLNAEFTGQPIERIEADSDRDRWFTAAEALEYGFVDHIIT---------
General information:
TITO was launched using:
RESULT:
Template:
2CE3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -126700 for 1308 contacts (-96.9/contact) +
2D Compatibility (PS) -18755 + (NN) -9549 + (LL) 1448
1D Compatibility (HY) -24400 + (ID) 8350
Total energy: -186306.0 ( -142.44 by residue)
QMean score : 0.495
(partial model without unconserved sides chains):
PDB file :
Tito_2CE3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2CE3-query.scw
PDB file :
Tito_Scwrl_2CE3.pdb
: