Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAVMPDKWIREKAESFG-MIEPFVDHKSSKGVMSFGLSSYGYDARVDNKFKIFTNVNSAVVDPKDFSKNSFIDKET-----------DVCIIPPNSFALASTVEYFHIPRDVLAICVGKSTYARCGIIVNVTP--LEPGWKGHVTLEFSNTTPLPAKIYANEGACQFVFLSGESECEKSYDDIKG-KYMNQHGITLPLVK--
1XS1 Chain:A ((1-193))
-MRLCDRDIEAWLDEGRLSINPRPPVER--------INGATVDVRLGNKFRTFRGHTAAFIDLSGPKDEVSAALDRVMSDEIVLDEGEAFYLHPGELALAVTLESVTLPADLVGWLDGRSSLARLGLMVHVTAHRIDPGWSGCIVLEFYNSGKLPLALRPGMLIGALSFEPLSGPAVRPYNRREDAKYRNQQGAVASRIDKD
General information:
TITO was launched using:
RESULT:
Template:
1XS1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -87662 for 1244 contacts (-70.5/contact) +
2D Compatibility (PS) -18826 + (NN) -4225 + (LL) 404
1D Compatibility (HY) -6000 + (ID) 2250
Total energy: -118559.0 ( -95.30 by residue)
QMean score : 0.438
(partial model without unconserved sides chains):
PDB file :
Tito_1XS1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1XS1-query.scw
PDB file :
Tito_Scwrl_1XS1.pdb
: