Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAFKLPNLPYAYDALEPYIDQRTMEFHHDKHHNTYVTKLNATVEG-TELEHQSLADMIANLDKVPEAMRMSVRNNGGGHFNHSLFWEILSPNS--EEKGGVIDDIKAQWGTLDEFKNEFANKATTLFGSGWTWLVVNDGKLEIVTTPNQDNPLTEGKTPILLFDVWEHAYYLKYQNKRPDYMTAFWNIVNWKKVDELYQAAK
1XUQ Chain:A ((14-211))
---ELPNLPYAYDALEPHFDKETMNIHHTKHHNTYITNLNAALEGHAELADKSVEELVANLNEVPEAIRTAVRNNGGGHANHTFFWTILSPNGGGQPVGELATAIEAKFGSFDAFKEEFAKAGATRFGSGWAWLVVNNGELEVTSTPNQDSPLTEGKTPVIGLDVWEHAYYLNYQNRRPDYIGAFWNVVDWNAAEKRYQEA-
General information:
TITO was launched using:
RESULT:
Template:
1XUQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -72985 for 1542 contacts (-47.3/contact) +
2D Compatibility (PS) -19974 + (NN) -1753 + (LL) 548
1D Compatibility (HY) -19200 + (ID) 6000
Total energy: -119364.0 ( -77.41 by residue)
QMean score : 0.577
(partial model without unconserved sides chains):
PDB file :
Tito_1XUQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1XUQ-query.scw
PDB file :
Tito_Scwrl_1XUQ.pdb
: