Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTAVKHTTESTFAKLGVRDEIVRALGEEGIKRPFAIQELTLPLALDG--EDVIGQARTGMGKTFAFGVPLLQRITSGDGTRPLTGAPRALVVVPTRELCLQVTDDLATAGKYLTAGPDTDDAAAVRRRLSVVSIYGGRPYEPQIEALRAGADVVVGTPGRLLDLCQQ-GHLQLGGLSVLVLDEADEML-DLGFLPDIERILRQIPADRQSMLFSATMPDPIITLARTFMVRPTHIRAEAPHSSAVHDATEQFVYRAHALD-KVELVSRVLQARDRGATMIFTRTKRTAQKVADELTERGFAVGAVHGDLGQLAREKALKAFRTGGIDVLVATDVAARGIDIDDVTHVINYQCPEDE------KMYVHRIGRTGRAGRTGVAVTLVDWDELPRWSMIDQALGLGSPDPAETYSNSPHLYAELAIPATAGGTVGPARKSQGRRRDTDCDGQKTAQHARNTPRRRRTRGGKPVTGHPGTNPISSPIVGGDATSEPGSGTASDSGSDVVSGSRSGNGEAARRRRRRRRRPTHAQDGFAARAN |
3G0H Chain:A ((42-393)) | ----------SFEELRLKPQLLQGVYAMGFNRPSKIQENALPLMLAEPPQNLIAQSQSGTGKTAAFVLAMLSQV------EPANKYPQCLCLSPTYELALQTGKVIEQMGKFY---PELKLAYAVR---------GNKLERGQ----KISEQIVIGTPGTVLDWCSKLKFIDPKKIKVFVLDEADVMIATQGHQDQSIRIQRMLPRNCQMLLFSATFEDSVWKFAQKVVPDPNVIKLKREEETL--DTIKQYYVLCSSRDEKFQALCNLYGAITIAQAMIFCHTRKTASWLAAELSKEGHQVALLSGEMMVEQRAAVIERFREGKEKVLVTTNVCARGIDVEQVSVVINFDLPVDKDGNPDNETYLHRIGRTGRFGKRGLAVNMVD-------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3G0H.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -233551 for 2915 contacts (-80.1/contact) +
2D Compatibility (PS) -37073 + (NN) -17117 + (LL) 5896
1D Compatibility (HY) -26800 + (ID) 6100
Total energy: -314745.0 ( -107.97 by residue)
QMean score : 0.483
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