Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKWSFLVVTVLAFVLVLAGCGASNDKVSGDKDKLKVVTTFYPMYDFTKNVAGDNASIEMLIDAGTEPHDYEPSAKDIAKIEAADVFVYNSEDMETWVPSVLKSLDSKKLTVIDASKGIELVEGTEEEDHDHEHEEGHHHEHDPHVWLSPVLAEQEVTNIQNGLTKADKTNADTYKKNAETYKEKLKTLDNKFKTAFEG--AKQRDFVTQHAAFQYLAKEYDLHQVAIAGLSPDQEPSPARLAELQKYVKENNISTIYFEEVASPKVAETLANETGAKLEVLSPIEGIT----DKEQKKGMDYIAYMEQNLQALQKTIK- |
1TOA Chain:A ((37-313)) | --------------------------------GKPLVVTTIGMIADAVKNIAQGDVHLKGLMGPGVDPHLYTATAGDVEWLGNADLILYNGLHLETKMGEVFSKLRGSR-LVVAVSETIP----------VSQRLSLEEAEFDPHVWFDVKLWSYSVKAVYESLCKLLPGKTREFTQRYQAYQQQLDKLDAYVRRKAQSLPAERRVLVTAHDAFGYFSRAYGFEVKGLQGVSTASEASAHDMQELAAFIAQRKLPAIFIESSIPHKNVEALRDAVQARGHVVQIGGELFSDAMGDAGTSEGTYVGMVTHNIDTIVAALAR |
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General information:
TITO was launched using:
| RESULT:
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Template: 1TOA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -56940 for 2234 contacts (-25.5/contact) +
2D Compatibility (PS) -29052 + (NN) -11848 + (LL) 3256
1D Compatibility (HY) -19600 + (ID) 3250
Total energy: -117434.0 ( -52.57 by residue)
QMean score : 0.510
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