Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAKKIVSDLDLKGKTVLVRADFNVPLKDGEITNDNRIVQALPTIQYIIEQGGK-IVLFSHLGKVKEESDKAKLTLRPVAEDLSKKLDKEVVFVPETRGEKLEAAIKDLKEGDVLLVENTRY--------EDLDGKKESKNDPELGKYWASL---GDVFVNDAFGTAHREHASNVGISTHLETAAGFLMDKEIKFIGGVVNDPHKPVVAILGGAKVSDKINVIKNLVNIADKIIIGGGMAYTFLKA-QGKEIGISLLEEDKIDFAKDLL---EKHGDKIVLPVDTKVAKEFSNDAKITVVPSDS-IPADQEGMDIGPNTVKLFADELEGAHTVVWNGPMGVFEFSNFAQGTIG----VCKAIANLKDAITIIGGGDSAAAAISLGFENDFTHISTGGGASLEYLEGKELPGIKAINNK |
2PAA Chain:A ((4-415)) | -AKLTLDKVDLKGKRVIMRVDFNVPMKNNQITNNQRIKAAIPSIKHCLDNGAKSVVLMSHLGRPDGIPMPDKYSLEPVADELKSLLNKDVIFLKDCVGPEVEQACANPDNGSIILLENLRFHVEEEGKGKDSSGKKISADPAKVEAFRASLSKLGDVYVNDAFGTAHRAHSSMVGVNLP-QKASGFLMKKELDYFSKALEKPERPFLAILGGAKVKDKIQLIKNMLDKVNFMIIGGGMAYTFLKELKNMQIGASLFDEEGATIVKEIMEKAEKNGVKIVFPVDFVTGDKFDENAKVGQATIESGIPSGWMGLDCGPESIKINAQIVAQAKLIVWNGPIGVFEWDAFAKGTKALMDEVVKATSN--GCVTIIGGGDTATCCAKWGTEDKVSHVSTGGGASLELLEGKILPGVEALSN- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2PAA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -181144 for 3340 contacts (-54.2/contact) +
2D Compatibility (PS) -42195 + (NN) -15496 + (LL) 688
1D Compatibility (HY) -36000 + (ID) 9150
Total energy: -283297.0 ( -84.82 by residue)
QMean score : 0.543
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