Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKRMRDDIKMVFEQDPAARSTLEVITTYAGLHAVWSHLIAHKLYNQKKYVAARAISQISRFFTGIEIHPGAKIGKRLFIDHGMGVVIGETCTIGDNVTIYQGVTL--------GGTGKERGKRHPDIGDNVLIAAGAKVLGNIKINSNVNIGANSVVLQSVPSYSTVVGIPGHIVKQDGVRVGKTFDHRHLPDPIYEQIKHLERQLEKTRNGEIQDDYII
3Q1X Chain:A ((101-267))
--RTLKTDLIAAYAGDPAAPGLSLIIRCYPGFQAVIVYRIAHVLYECGERYYCREMMESVHSYTSIDIHPGASIKGHFFIDHGVGVVIGETAIIGEWCRIYQSVTLGAMHFQEEGGVIKRGTKRHPTVGDYVTIGTGAKVLGNIIVGSHVRIGANCWIDRDVDSNQTVY----------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3Q1X.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -122727 for 1249 contacts (-98.3/contact) +
2D Compatibility (PS) -17362 + (NN) -6227 + (LL) 3324
1D Compatibility (HY) -13600 + (ID) 3650
Total energy: -160242.0 ( -128.30 by residue)
QMean score : 0.551
(partial model without unconserved sides chains):
PDB file :
Tito_3Q1X.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3Q1X-query.scw
PDB file :
Tito_Scwrl_3Q1X.pdb
: