Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKLSIVVAPDERLTTRASEVTGINDKIKELVNDMFETMYNAEGLGLAAVQIGVLKRIFVMDIQLEDIKGEPVGYESTGKFCMINPEITELSDEQVILKEGCLSIPEQSHEIRRPKYLTVKYKDLNNKEQTLKASGWLARCIQHELDHLNGILYIRHLSKLKYDMAMKKAEKFKRHYER
1IX1 Chain:B ((2-165))
-AILNILEFPDPRLRTIAKPVEVVDDAVRQLIDDMFETMYEAPGIGLAATQVNVHKRIVVMD--LSEDKSEPRVF--------INPEFEPLTEDMDQYQEGCLSVPGFYENVDRPQKVRIKALDRDGNPFEEVAEGLLAVCIQHECDHLNGKLFVDYLSTLKRDRIRKKLEKQHRQQAH
General information:
TITO was launched using:
RESULT:
Template:
1IX1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -86681 for 1276 contacts (-67.9/contact) +
2D Compatibility (PS) -17677 + (NN) -1174 + (LL) 948
1D Compatibility (HY) -11200 + (ID) 3800
Total energy: -119584.0 ( -93.72 by residue)
QMean score : 0.471
(partial model without unconserved sides chains):
PDB file :
Tito_1IX1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1IX1-query.scw
PDB file :
Tito_Scwrl_1IX1.pdb
: