Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTETLLSIKDLSITFTQYGRFLKPFQSTPIQALNLEIKKGELLAIIGASGSGKSLLAHAIMDILPKNASVTGDMIYRGQSLNSKRIKQLRGKDITLIPQSVNYLDPSMKVKHQVRLGISE------NSKATQEGLFQQFGLKESDGDLYPFQLSGGMLRRVLFTTCISDKVSLIIADEPTPGLHPDALQMVLDQLRSFA-DKGISVIFITHDIVAASQIADRITIFKEGKAIETAPASFFSGNGEQLQTEFARSLLRSLPQQEFLKGVTHDLRG
2IT1 Chain:A ((2-235))
---VEIKLENIVKKFG---------NFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPT---SGKIYFDEKDVTELPP---KDRNVGLVFQNW-ALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDK-LLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYY---KPKYKFVGGFLGNPPMNFVEAKVEDGKLV
General information:
TITO was launched using:
RESULT:
Template:
2IT1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -155460 for 1876 contacts (-82.9/contact) +
2D Compatibility (PS) -24592 + (NN) -13358 + (LL) 1280
1D Compatibility (HY) -15200 + (ID) 2750
Total energy: -210080.0 ( -111.98 by residue)
QMean score : 0.554
(partial model without unconserved sides chains):
PDB file :
Tito_2IT1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IT1-query.scw
PDB file :
Tito_Scwrl_2IT1.pdb
: