Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKLSIVVAPDERLTTRASEVTGINDKIKELVNDMFETMYNAEGLGLAAVQIGVLKRIFVMDIQLEDIKGEPVGYESTGKFCMINPEITELSDEQVILKEGCLSIPEQSHEIRRPKYLTVKYKDLNNKEQTLKASGWLARCIQHELDHLNGILYIRHLSKLKYDMAMKKAEKFKRHYER
1S17 Chain:A ((14-178))
-AILNILEFPDPRLRTIAKPVEVVDDAVRQLIDDMFETMYEAPGIGLAATQVNVHKRIVVMD--LSEDKSEPRVF--------INPEFEPLTEEMDQYQEGCLSVPGFYENVDRPQKVRIKALDRDGNPFEEVAEGLLAVCIQHECDHLNGKLFVDYLSTLKRDRIRKKLEKQHRQQ--
General information:
TITO was launched using:
RESULT:
Template:
1S17.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -82383 for 1285 contacts (-64.1/contact) +
2D Compatibility (PS) -17813 + (NN) -1979 + (LL) 1144
1D Compatibility (HY) -11200 + (ID) 3850
Total energy: -116081.0 ( -90.34 by residue)
QMean score : 0.485
(partial model without unconserved sides chains):
PDB file :
Tito_1S17.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1S17-query.scw
PDB file :
Tito_Scwrl_1S17.pdb
: