Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLEKIQSDVEDIWKNRSKLSNRSVKRAARVIIKKVIKLLDSGKIRVAERLSDGKWIVHTWIKQAISLYFLTEESKMIDHT-GWWFDKVNNKFDGWNEEEFHQSKIRAVPGCFVRQSAYVGTNVVLMPSFINVGAYISSGTMIDTWSTIGSCAQIGKNCHVSGGVGIGGVLEPIQASPVIIEDNCFIGARSEVAEGVIIREGSVLGMGVFIGASTKIIDRETNKVFYGEVPPYSVVVPGSTLSAN-NISIYCAIIVKKVDEKTRQKTSINEILRD
1KGT Chain:A ((1-271))
--MQQLQNVIESAFERRADITPANVDTVTREAVNQVIGLLDSGALRVAEKI-DGQWVTHQWLKKAVLLSFRINDNKVMDGAETRYYDKVPMKFADYDEARFQKEGFRVVPPATVRQGAFIARNTVLMPSYVNIGAYVDEGTMVDTWATVGSCAQIGKNVHLSGGVGIGGVLEPLQANPTIIEDNCFIGARSEVVEGVIVEEGSVISMGVYLGQSTRIYDRETGEIHYGRVPAGSVVVSGNLPSKDGSYSLYCAVIVKKVDAKTRGKVGINELLRT
General information:
TITO was launched using:
RESULT:
Template:
1KGT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -220396 for 2146 contacts (-102.7/contact) +
2D Compatibility (PS) -29668 + (NN) -14321 + (LL) 300
1D Compatibility (HY) -30000 + (ID) 7250
Total energy: -301335.0 ( -140.42 by residue)
QMean score : 0.576
(partial model without unconserved sides chains):
PDB file :
Tito_1KGT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KGT-query.scw
PDB file :
Tito_Scwrl_1KGT.pdb
: