Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSNNMRKLFSMIANSKDKKEKLIESLQENELLNTDEKKKIIDQIKTMHDFFKQMHTNKGALDKVLRNYMKDYRAVIKSIGVDKFKKVYRLLESETMELLHAIAENPNFLFSKFDRSILGIFLPFFSKPIMFKMSIREMDSQIELYGTKLPPLKLFVMTDEEVNFYANLKTIEQYNDYVRDLLMKFDLEKYMEEKGVQNA
2G3V Chain:A ((22-182))
--------------------KLIESLQENELLNTDEKKKIIDQIKTMHDFFKQMHTNKGALDKVLRNYMKDYRAVIKSIGVDKFKKVYRLLESETMELLHAIAENPNFLFSKFDRSILGIFLPFFSKPIMFKMSIREMDSQIELYGTKLPLLKLFVMTDEEMNFYANLKTIEQYNDYVRDL------------------
General information:
TITO was launched using:
RESULT:
Template:
2G3V.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -91666 for 1109 contacts (-82.7/contact) +
2D Compatibility (PS) -16784 + (NN) -2276 + (LL) 2964
1D Compatibility (HY) -26400 + (ID) 7950
Total energy: -142112.0 ( -128.14 by residue)
QMean score : 0.609
(partial model without unconserved sides chains):
PDB file :
Tito_2G3V.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2G3V-query.scw
PDB file :
Tito_Scwrl_2G3V.pdb
: