Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLITTENKLAGSKKALEIIEKGITSGEVNTLGLATGSTPETLYAELVK----SDVDTKNVTTTNLDEYVGLAASDPNSYHYYMNDLLFSKKAFKESF--LPNGEATDAEAECARYEE-ILSEHPIDIQVLGIGTNGHIGFNEPGTSFDSITHKVVLTDSTREANKRFFERE-EDVPTHAYSMGIKSIMNAKKIILLAFGENKAQAIKETIKGPVDVNCPASVLQNHPDVTVILDNEAASLL
2WU1 Chain:A ((36-240))
------------------------------VLGLPTGGTPMTTYKALVEMHKAGQVSFKHVVTFNMDEYVGLPKEHPESYYSFMHRNFFDHVDIPAENINLLNGNAPDIDAECRQYEEKIRSYGKIHLFMGGVGNDGHIAFNEPASSLASRTRIKTLTHDTRVANSRFFDNDVNQVPKYALTVGVGTLLDAEEVMILVLGSQKALALQAAVEGCVNHMWTISCLQLHPKAIMVCD-------
General information:
TITO was launched using:
RESULT:
Template:
2WU1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -65236 for 1547 contacts (-42.2/contact) +
2D Compatibility (PS) -21788 + (NN) -15300 + (LL) 2884
1D Compatibility (HY) -16000 + (ID) 4000
Total energy: -119440.0 ( -77.21 by residue)
QMean score : 0.511
(partial model without unconserved sides chains):
PDB file :
Tito_2WU1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WU1-query.scw
PDB file :
Tito_Scwrl_2WU1.pdb
: