Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLFQSKINYPKKSSIITQITLWYSSFIFILVIGVLIGSFFISKSIAENKSKKNLEAKAVQMSQALAKGHRYEAFEDGIFYSVYDQNGKVIYSGFPKGFKRDLDHQHKHKKKLSLFSMENRTFQYVDIPISGKNQWLRAIRTVDRLDKQLTELLFSLGIVLPLMLIIITVGGYLILKRTFRPIQEITETAQFITQNEDYTKRIITKNNENELTELAAVINTMLASIESSFVREKQFNND-------VSHELRTPVTVILSESEYGKNYAENLSEAKESFEVIHRQSLSMKKLVEQLLELTKAENPLSIQLEPLNFSIMMKQLVSDSSRLLDNTPIHLDSQIEDDLWIIGQQTLLKRLFDNLFSNAIKFTNNHISISLRQSDNQIVFSIKDNGLGISVDDQSKIWNRFYQVDSARTKDSQSGIGLGLSLVKQIATIHRAKIWVDSKPDNGSQFTLTFPKLKKD |
4CTI Chain:A ((6-259)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RPIIELSNTFDKIAEG-NLEAEVPHQNRADEIGILAKSIERLRRSL-------KQLADDRTLLMAGVSHDLRTPLTRIRLATEMMSEQDGYLAES------INKDIEECNAIIEQFIDYLRTGQE------DLN-AVLGEVIA----------------EIETALY-KMHPLSIKRAVANMVVNAARYGNGWIKVSSGTEP--AWFQVEDDGP--------------------------SGTGLGLAIVQRIVDNHNGMLELG------LSIRAWL------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4CTI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -73724 for 1260 contacts (-58.5/contact) +
2D Compatibility (PS) -21589 + (NN) -12477 + (LL) 18032
1D Compatibility (HY) -11600 + (ID) 2750
Total energy: -104108.0 ( -82.63 by residue)
QMean score : 0.435
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