Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAFKLPNLPYAYDALEPYIDQRTMEFHHDKHHNTYVTKLNATVEG-TELEHQSLADMIANLDKVPEAMRMSVRNNGGGHFNHSLFWEILSPNS--EEKGGVIDDIKAQWGTLDEFKNEFANKATTLFGSGWTWLVVNDGKLEIVTTPNQDNPLTEGKTPILLFDVWEHAYYLKYQNKRPDYMTAFWNIVNWKKVDELYQAAK
1XRE Chain:A ((13-211))
--FQLPKLSYDYDELEPYIDSNTLSIHHGKHHATYVNNLNAALENYSELHNKSLEELLCNLETLPKEIVTAVRNNGGGHYCHSLFWEVMSPRGGGEPNGDVAKVIDYYFNTFDNLKDQLSKAAISRFGSGYGWLVLDGEELSVMSTPNQDTPLQEGKIPLLVIDVWEHAYYLKYQNRRPEFVTNWWHTVNWDRVNEKYLQA-
General information:
TITO was launched using:
RESULT:
Template:
1XRE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -80001 for 1553 contacts (-51.5/contact) +
2D Compatibility (PS) -20367 + (NN) -2928 + (LL) 416
1D Compatibility (HY) -22800 + (ID) 5050
Total energy: -130730.0 ( -84.18 by residue)
QMean score : 0.547
(partial model without unconserved sides chains):
PDB file :
Tito_1XRE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1XRE-query.scw
PDB file :
Tito_Scwrl_1XRE.pdb
: