Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKTWPAPTAPTPVRATVTVPGSKSQTNRALVLAALAAAQGRGASTISGALRSRDTELMLDALQTLGLRVDGVG--SELTVSGR-I-E-PGPGARVDCGLAGTVLRFVPPLAALGSVPVTFDGDQQARGRPIAPLLDALRELGVAVDG-T---GLPFRVRGNGSLAGGTVAIDASASSQFVSGLLLSAASFTDGLTVQHTGSSLPSAPHIAMTAAMLRQAGVDIDDSTPNRWQVRPG-P-VAARRWDIEPDLTNAVAFLSAAVVSGGTVRITGWPRVSVQPADHILAILRQLNAVVIHADSSLEVRGPTGYDGFDVDLRAVGELTPSVAALAALASPGSVSRLSGIAHLRGHETDRLAALSTEINRLGGTCRETPDGLVITATPLR-PGIWRAYADHRMAMAGAIIGLRVAGVEVDDIAATTKTLPEFPRLWAEMVGPGQGWGYPQPRSGQRARRATGQGSGG |
3NVS Chain:A ((28-449)) | ----LTLQPIELISGEVNLPGSKSVSNRALLLAALA----SGTTRLTNLLDSDDIRHMLNALTKLGVNYRLSADKTTCEVEGLGQAFHTTQPLELFLGNAGTAMRPLAAALCLGQGDYVLTGEPRMKERPIGHLVDALRQAGAQIEYLEQENFPPLRIQGT-GLQAGTVTIDGSISSQFLTAFLMSAPLAQGKVTIKIVGE-LVSKPYIDITLHIMEQFGVQVINHDYQEFVIPAGQSYVSPGQFLVEGDASSASYFLAAAAIKGGEVKVTGIGKNSIQGDIQFADALEKMGAQIEWGDDYVIARRG-ELNAVDLDFNHIPDAAMTIATTALFAK--GTTAIRNVYNWRVKETDRLAAMATELRKVGATVEEGEDFIVITPPTKLIHAAIDTYDDHRMAMCFSLVALSDTPVTINDPKCTSKTFPDYFDKFAQLS--------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NVS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -280109 for 3879 contacts (-72.2/contact) +
2D Compatibility (PS) -44439 + (NN) -23814 + (LL) -300
1D Compatibility (HY) -26400 + (ID) 6400
Total energy: -381462.0 ( -98.34 by residue)
QMean score : 0.528
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