Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MFSNLYRGLLKTSSRFSDGVKSIFSAKKKLDQSLLDELEELLISMDIGHKTSKLIIDRLASIKFDKEV-EHNIITQQLMSEIEAILNPVVQPLILD-KNPHIIMVCGVNGNGKTTTIGKLAYKYKNMGKSVMLVACDTFRAAASEQLNIWAERSDCFIVTGEYGNDSASVAYRAVSQAIKGSVDVVLIDTAGRLQNNVNLMEELSKIYRTIKKLDGTAPHDVILVLDATTGQNAYSQLEAFSKMVSVTGLIITKLDGTAKGGVVIGLAETYRVKLHAIGIGESIEDLREFTSKEFAKALFGCD |
2XXA Chain:D ((20-298)) | --------------------ISLFRGKKIDDDLFEELEEQLLIA-DVGVETTRKIITNLTEGASRKQLRDAEALYGLLKEEMGEILAKVDEPLNVEGKAPFVILMVGVNGVGKTTTIGKLARQFEQQGKSVMLAAGDTFRAAAVEQLQVWGQRNNIPVIAQHTGADSASVIFDAIQAAKARNIDVLIADTAGRLQNKSHLMEELKKIVRVMKKLDVEAPHEVMLTIDASTGQNAVSQAKLFHEAVGLTGITLTKLDGTAKGGVIFSVADQFGIPIRYIGVGERIEDLRPFKADDFIEALFARE |
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General information:
TITO was launched using:
| RESULT:
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Template: 2XXA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -187762 for 2262 contacts (-83.0/contact) +
2D Compatibility (PS) -30427 + (NN) -12920 + (LL) 1196
1D Compatibility (HY) -22400 + (ID) 6650
Total energy: -258963.0 ( -114.48 by residue)
QMean score : 0.620
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