Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSIITDVYAREVLDSRGNPTLEVEVYTESGAFGRGMVPSGASTGEHEAVELRDGDKSRYGGLGTQKAVDNVNNVIAEAII--GYDVRDQQAIDRAMIALDGTPNKGKLGANAILGVSIAVARAAADYLEVPLYSY---LGGFNTKVLPTPMMNIINGGSHSDAPIAFQEFMIMPVGAPTFKEALRWGAEVFHALKKILKER-GLE-TAVGDEGGFAPKFEGTEDGVETILKAIEAAGYEAGENGIMIGFDCASSEFYDAERKVYDYS-KFEGEGGAVRTAAEQI-DYLEELVNKYPIITIEDGMDENDWDGWKALTERLGGRVQLVGDDFFVTNTDYLARGIKEEAANSILIKVNQIGTLTETFEAIEMAKEAGYTAVVSHRSGETEDSTIADIAVATNAGQIKTGSLSRTDRIAKYNQLLRIEDQLGEVAQYKGIKSFYNLKK |
| 1PDZ Chain:A ((5-430)) | ---ITKVFARTIFDSRGNPTVEVDLYTSKGLF-RAAVPSGASTGVHEALEMRDGDKSKYHGKSVFNAVKNVNDVIVPEIIKSGLKVTQQKECDEFMCKLDGTENKSSLGANAILGVSLAICKAGAAELGIPLYRHIANLANYDEVILPVPAFNVINGGSHAGNKLAMQEFMILPTGATSFTEAMRMGTEVYHHLKAVIKARFGLDATAVGDEGGFAPNILNNKDALDLIQEAIKKAGYTGK---IEIGMDVAASEFY-KQNNIYDLDFKTANNDGSQKISGDQLRDMYMEFCKDFPIVSIEDPFDQDDWETWSKMTS--GTTIQIVGDDLTVTNPKRITTAVEKKACKCLLLKVNQIGSVTESIDAHLLAKKNGWGTMVSHRSGETEDCFIADLVVGLCTGQIKTGAPCRSERLAKYNQILRIEEELGSGAKFAG-KNFRAPS- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1PDZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 111904 for 3905 contacts (28.7/contact) +
2D Compatibility (PS) -44042 + (NN) -9018 + (LL) 440
1D Compatibility (HY) 23600 + (ID) 1300
Total energy: 81584.0 ( 20.89 by residue)
QMean score : 0.165
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