Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAIILPDLPYAYDALEPHIDAETMTLHHDKHHATYVANANAALEKHPEI-GEDLEALLADVSQIPEDIRQAVINNGGGHLNHALFWELMSPEE-TQISQELSEDINATFGSFEDFKAAFTAAATGRFGSGWAWLVVNAEGKLEVLSTANQDTPIMEGKKPILGLDVWEHAYYLNYRNVRPNYIKAFFEIINWNKVNELYQAAKA
1XRE Chain:A ((12-212))
-SFQLPKLSYDYDELEPYIDSNTLSIHHGKHHATYVNNLNAALENYSELHNKSLEELLCNLETLPKEIVTAVRNNGGGHYCHSLFWEVMSPRGGGEPNGDVAKVIDYYFNTFDNLKDQLSKAAISRFGSGYGWLVLDG-EELSVMSTPNQDTPLQEGKIPLLVIDVWEHAYYLKYQNRRPEFVTNWWHTVNWDRVNEKYLQAI-
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) -118496 for 1588 contacts (-74.6/contact) +
2D Compatibility (PS) -21134 + (NN) -9143 + (LL) 456
1D Compatibility (HY) -20800 + (ID) 4900
Total energy: -174017.0 ( -109.58 by residue)
QMean score : 0.627
(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
: