Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLEKIQSDVEDIWKNRSKLSNRSVKRAARVIIKKVIKLLDSGKIRVAERLSDGKWIVHTWIKQAISLYFLTEESKMIDHT--GWWFDKVNNKFDGWNEEEFHQSKIRAVPGCFVRQSAYVGTNVVLMPSFINVGAYISSGTMIDTWSTIGSCAQIGKNCHVSGGVGIGGVLEPIQASPVIIEDNCFIGARSEVAEGVIIREGSVLGMGVFIGASTKIIDRETNKVFYGEVPPYSVVVPGSTLS-ANNISIYCAIIVKKVDEKTRQKTSINEILRD
3TK8 Chain:A ((43-301))
--SQQLQQIIDNAWENRAELSPKAASAEIREAVAHAIEQLDRGALRVAEKI-DGAWTVHQWLKKAVLLSFRLEDNAPMPAGGYSQFYDKVPSKFANYTAEDFAAGGFRVVPPAIARRGSFIAKNVVLMPSYTNIGAYVDEGTMVDTWATVGSCAQIGKNVHLSGGVGIGGVLEPLQANPVIIEDNCFIGARSEVVEGVIVEENSVISMGVYLGQSTKIYDRETGEVTYGRIPAGSVVVAGNLPAKDGTHSLYCAVIVKKVDA--------------
General information:
TITO was launched using:
RESULT:
Template:
3TK8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -239263 for 2059 contacts (-116.2/contact) +
2D Compatibility (PS) -28515 + (NN) -14532 + (LL) 1356
1D Compatibility (HY) -24800 + (ID) 6650
Total energy: -312404.0 ( -151.73 by residue)
QMean score : 0.642
(partial model without unconserved sides chains):
PDB file :
Tito_3TK8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TK8-query.scw
PDB file :
Tito_Scwrl_3TK8.pdb
: