Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDSLVKIMGSFL-------ALSLIMIFSSCIVNEHVDEGNIKENAVRMMECIVNKDSEKLFDFYNKDMKDNYKDSSLDEIRQLFEYIDGAITSYNYEGKGGGQEAKNDGIICYYSCHPEFDFTTETGQEYT----ISFSYHYIWNEHPEYEGINMIQICKD-----GNWGEKLIIGRNYYKE------
2R5S Chain:A ((6-176))
DEQLLKQVSELLQQGEHAQALNVIQTLS----DELQSRGDVKLAKA---DCLLETKQFELAQELLATIPLEYQDNSYKSLIAKLELHQQAAESPELKRLEQELAANPD----------NFELACELAVQYNQVGRDEEALELLWNILKVNLGAQDGEVKKTFMDILSALGQGNAIASKYRRQLYSILY
General information:
TITO was launched using:
RESULT:
Template:
2R5S.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -18286 for 1000 contacts (-18.3/contact) +
2D Compatibility (PS) -14968 + (NN) 668 + (LL) 1348
1D Compatibility (HY) -4400 + (ID) 1500
Total energy: -37138.0 ( -37.14 by residue)
QMean score : 0.162
(partial model without unconserved sides chains):
PDB file :
Tito_2R5S.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2R5S-query.scw
PDB file :
Tito_Scwrl_2R5S.pdb
: