Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRKIPVVVSLALCFSLVSPSLYASADTITAVQITKEATTDTTEPTTIDQPSRMDNSQTAPQKMTASSSEEAATTNSTEEENTPKNNLKSTSENSKTYAELFPDVNLAKIIAKNISGTEDINAEVSEAELQTITNLVATNQNITSLTGIEHLTALENINVNNNELTTIDSLFNIPTLKSISANNNKIT---------------------GNFSLVKTLPELHTLEVLGNAITELDIENQPNLVTLSADELELKKLTLKNLSQLNGLGRIASSISIDWGDLESVTLMNLPEIISVDISGNYLDSDDIHLENLPAVKNLDI---SSNELTRLPKINDFPLLTTINVRSNKIDRLESSKLVDVPKLATLNADKQAVTLSKTIAAGNFTIPNNVENLAGQMVTPKIISNNGTYSDQSIAWASGELSGLSKVSYTFDEVINSPAIAGKYTGTVNQPIEVKAVPVIVADKSVSYAPVNAKDEATFLQDIRASASENAQITSDYSEVVDFATPGDYTVTLHAKNEFDLKADPVTVVVHINDIQKPQVAVNSNDISFEVGTELTSEVLLAKSGAVVTDLYDEAIKMEVDLSEVDSSKLGTYEATIIAKSKSGASSDPIKLSVKIVDTEKPIIQINNPEIIIEKGSELTEGQIIDQVGITATDNYDQDLNIHMDLSKVDTSKPGSYEVTIYTEDSSGNRSETVTITVKVPEARIGKITIQYMDSENNELAESNTITGEVGETYETLAKEIEGYTLKENPANSSGVFEETRQTIQYIYVKDIINPEFPVYSENNVTPELPSNNNNSVNGSRQTPSKSVKKQSKAYSKINQMPMNLPETGDSTNLLFIFMGVLLLAGLTLSKAKRKNQ |
2WQU Chain:A ((14-288)) | --------------------------------------------------------------------------------------------------QIFSDDAFAETIKDNLK-KKSVTDAVTQNELNSIDQIIANNSDIKSVQGIQYLPNVTKLFLNGNKLTDIKPLANLKNLGWLFLDENKVKDLSSLKDLKKLKSLSLEHNGISDINGLVHLPQLESLYLGNNKITDITV--------------------LSRLTKLDTLSLEDNQIS------DIVPLAGLTKLQNLYLSKNHI-SD---LRALAGLKNLDVLELFSQECLNKP----------INHQSN------------------------------------LVVPNTVKNTDGSLVTPEIISDDGDYEKPNVKWHLPEFT--NEVSFIFYQPVTIGKAKARFHGRVTQPLK-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2WQU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -110712 for 1775 contacts (-62.4/contact) +
2D Compatibility (PS) -26333 + (NN) -3573 + (LL) 35264
1D Compatibility (HY) -22800 + (ID) 4050
Total energy: -132204.0 ( -74.48 by residue)
QMean score : 0.458
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