Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKNTSSSTTLTMNDTIAAIATP--LGKGAISIIKISGHNALNILKQLTQKQ---DFTPRYAYVCDIFS--DGVLLDKALVIYFKAPYSFTGEDVCEIQCHGSPLLAQNILQACLNLGARLAKAGEFSKKAFLNHKMDLSEIEASVQLILCEDESVLNALARQLKGELKIFIEEARNNLLKLLASSEVLIDYSEEDIPSDFLKEVSFNLEKQIASFKDLLDFSNAQKQRNKGHALSIVGKPNAGKSSLLNAMLLEERALVSDIKGTTRDTIEEVIELKGHKVRLIDTAGIRESADEIERLGIEKSLKSLENCDIILGVFDLSKPLEKEDFNLMDTLNRTKKPCIVVLNKNDLAPKLELE----ILKSYLKIPYSILETNTLNSKACLKDLSQKISEFFPKLD--TQNKLLLTSLAQTTALENAITELQNAKSHLD---TLELFSYHILSAIENLNLLTRPYETSQMLDSMFSEFCLGK |
3GEH Chain:A ((3-462)) | --------HMAITGTIAAIATAIVPQQGSVGIVRVSGSQAIAIAQTLFDAPGKQVWESHRILYGYIRHPQTRQIVDEALLLLMKAPRSYTREDVVEFHCHGGIIAVQQVLQLCLESGARLAQPGEFTLRAFLNGRLDLTQAESIADLVGARSPQAAQTALAGLQGKLAHPIRQLRANCLDILAEIEARIDFEED-LPPLDDEAIISDIENIAAEISQLLATKDKGELLRTGLKVAIVGRPNVGKSSLLNAWSQSDRAIVTDLPGTTRDVVESQLVVGGIPVQVLD--------------------QAANTADLVLLTIDAATGWTTGDQEIYEQV--KHRPLILVMNKIDLVEKQLITSLEYPENITQIVHTAAA------QKQGIDSLETAILEIVQTGKVQAADMDLAINQRQAAALTQAKMSLEQVQATITQQLPLDFWTIDLRGAIQALGEITGEEVTESVLDRIFSRFCIGK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3GEH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -190767 for 3333 contacts (-57.2/contact) +
2D Compatibility (PS) -46616 + (NN) -26826 + (LL) 1888
1D Compatibility (HY) -24000 + (ID) 6600
Total energy: -292921.0 ( -87.89 by residue)
QMean score : 0.486
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