Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAFKLPNLPYAYDALEPYIDQRTMEFHHDKHHNTYVTKLNATVEGTELEHQSLADMIANLDKVPEAMRMSVRNNGGGHFNHSLFWEILSPNSEEKGG------VIDDIKAQWGTLDEFKNEFANKATTLFGSGWTWLVVNDGKLEIVTTPNQDNPLTE------GKTPILLFDVWEHAYYLKYQNKRPDYMTAFWNIVNWKKVDELYQAAK
2CE4 Chain:B ((21-231))
LAYTLPQLPYAYDALEPHIDARTMEIHHTKHHQTYVDNANKALEGTEFADLPVEQLIQQLDRVPADKKGALRNNAGGHANHSMFWQIMGQG-----ANQPSGELLDAINSAFGSFDAFKQKFEDAAKTRFGSGWAWLVVKDGKLDVVSTANQDNPLMGEAIAGVSGTPILGVDVWEHAYYLNYQNRRPDYLAAFWNVVNWDEVSKRYAAAK
General information:
TITO was launched using:
RESULT:
Template:
2CE4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -94139 for 1540 contacts (-61.1/contact) +
2D Compatibility (PS) -19911 + (NN) -2646 + (LL) 72
1D Compatibility (HY) -20800 + (ID) 5550
Total energy: -142974.0 ( -92.84 by residue)
QMean score : 0.520
(partial model without unconserved sides chains):
PDB file :
Tito_2CE4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2CE4-query.scw
PDB file :
Tito_Scwrl_2CE4.pdb
: