Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MEFDTIAAISTP--PGEGAIAIIRLSGPEAIQIADRIFYAKNSLSEAESHTIHYGHIKED-G-EVIEEVMVTVMRAPRTFTREDVVEINAHGGIVSVNRVLQLLLRNGANLAEPGEFTKRAFLNGRIDLSQAEAVMDLIRAKTDRAMGVAIRQMDGNLSRLIRNLRQEILDALAQVEVNIDYPEYDDVEEMTQRMLLEKTELVRASVEQLLRTASQGKILREGLATAIIGRPNVGKSSLLNQLIQEEKAIVTDIAGTTRDIIEEYVNVRGVPLRLIDTAGIRETEDIVEKIGVERSRKALADADFILLVLNQNEELTVEDEALFEAAAGHNYVVVLNKTDLETKLDIDRVRELAGENPIVSTSLVNDEGLEALEEAIKTLFFAGDIDAGDATYVSNVRHIALLHQALEALNGVTTGIQLGMPVDIVQIDMTRAWDLLGEITGDSVQDELLDQLFNQFCLGK |
| 3GEH Chain:A ((6-462)) | -ITGTIAAIATAIVPQQGSVGIVRVSGSQAIAIAQTLFDAPGK-QVWESHRILYGYIRHPQTRQIVDEALLLLMKAPRSYTREDVVEFHCHGGIIAVQQVLQLCLESGARLAQPGEFTLRAFLNGRLDLTQAESIADLVGARSPQAAQTALAGLQGKLAHPIRQLRANCLDILAEIEARIDFEE-D-LPPLDDEAIISDIENIAAEISQLLATKDKGELLRTGLKVAIVGRPNVGKSSLLNAWSQSDRAIVTDLPGTTRDVVESQLVVGGIPVQVLD--------------------QAANTADLVLLTIDAATGWTTGDQEIYEQVKHRPLILVMNKIDLVEKQLITSLEYPENITQIVHTAAAQKQGIDSLETAILEIVQTGKVQAADMDLAINQRQAAALTQAKMSLEQVQATITQQLPLDFWTIDLRGAIQALGEITGEEVTESVLDRIFSRFCIGK |
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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) -206442 for 3419 contacts (-60.4/contact) +
2D Compatibility (PS) -48264 + (NN) -30001 + (LL) 1976
1D Compatibility (HY) -39200 + (ID) 9150
Total energy: -331081.0 ( -96.84 by residue)
QMean score : 0.473
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