Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLLLKKHTEDISSVYEIRERLGSGAFSEVVLAQERGSAHLVALKCIPKKALRGKEALV-----ENEIAVLRRISHPNIVALEDVHESPSHLYLAMELVTGGELFDRIMERGSYTEKDASHLVGQVLGAVSYLHSLGIVHRDLKPEN-LLYATPFEDSKIMVSDFGLS-KIQAGNMLGTACGTPGYVAPELLEQKPYGKAVDVWALGVISYILLCGYPPFYDESDPELFSQILRASYEFDSPFWDDISESAKDFIRHLLERDPQKRFTCQQALRHLWISGDTAFDRDILGSVSEQIRKNFARTHWKRAFNATSFLRHIRKLGQIPEGEGASEQGMARHSHSGLRAGQPPKW |
3ZXT Chain:B ((7-275)) | --------ENVDDYYDTGEELGSGQFAVVKKCREKSTGLQYAAKFIKKRRTKS-RRGVSREDIEREVSILKEIQHPNVITLHEVYENKTDVILILELVAGGELFDFLAEK--LTEEEATEFLKQILNGVYYLHSLQIAHFDLKPENIMLLDRNVPKPRIKIIDFGLAHKID----------TPEFVAPEIVNYEPLGLEADMWSIGVITYIL-SGASPFLGDTKQETLANVSAVNYEFEDEYFS---ALAKDFIRRLLVKDPKKRMTIQDSLQHPWIK------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3ZXT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -139035 for 1740 contacts (-79.9/contact) +
2D Compatibility (PS) -25510 + (NN) -9634 + (LL) 4800
1D Compatibility (HY) -24400 + (ID) 5200
Total energy: -198979.0 ( -114.36 by residue)
QMean score : 0.475
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