Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAFKLPNLPYAYDALEPYIDQRTMEFHHDKHHNTYVTKLNATVEGTELEHQSLADMIANLDKVPEAMRMSVRNNGGGHFNHSLFWEILSPNSEEKGG------VIDDIKAQWGTLDEFKNEFANKATTLFGSGWTWLVVNDGKLEIVTTPNQDNPLTE------GKTPILLFDVWEHAYYLKYQNKRPDYMTAFWNIVNWKKVDELYQAAK
3KKY Chain:B ((2-211))
-AYTLPQLPYAYDALEPHIDARTMEIHHTKHHQTYVDNANKALEGTEFADLPVEQLIQQLDRVPADKKGALRNNAGGHANHSMFWQIMGQ------ANQPSGELLDAINSAFGSFDAFKQKFEDAAKTRFGSGWAWLVVKDGKLDVVSTANQDNPLMGEAIAGVSGTPILGVDVWEHAYYLNYQNRRPDYLAAFWNVVNWDEVSKRYAAAK
General information:
TITO was launched using:
RESULT:
Template:
3KKY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -93267 for 1496 contacts (-62.3/contact) +
2D Compatibility (PS) -19991 + (NN) -3868 + (LL) 200
1D Compatibility (HY) -20400 + (ID) 5550
Total energy: -142876.0 ( -95.51 by residue)
QMean score : 0.532
(partial model without unconserved sides chains):
PDB file :
Tito_3KKY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KKY-query.scw
PDB file :
Tito_Scwrl_3KKY.pdb
: