Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLEKIQSDVEDIWKNRSKLSNRSVKRAARVIIKKVIKLLDSGKIRVAERLSDGKWIVHTWIKQAISLYFLTEESKMIDHTGW--WFDKVNNKFDGWNEEEFHQSKIRAVPGCFVRQSAYVGTNVVLMPSFINVGAYISSGTMIDTWSTIGSCAQIGKNCHVSGGVGIGGVLEPIQASPVIIEDNCFIGARSEVAEGVIIREGSVLGMGVFIGASTKIIDRETNKVFYGEVPPYSVVVPGSTLSANNI-SIYCAIIVKKVDEKTRQKTSINEILRD
3TK8 Chain:A ((44-301))
---QQLQQIIDNAWENRAELSPKAASAEIREAVAHAIEQLDRGALRVAEKI-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) -233042 for 2039 contacts (-114.3/contact) +
2D Compatibility (PS) -28339 + (NN) -14717 + (LL) 1532
1D Compatibility (HY) -26000 + (ID) 6700
Total energy: -307266.0 ( -150.69 by residue)
QMean score : 0.618
(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
: