Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDAHRLSIAAIVDQHAEEAAFLALLRDYAVRAPHYDLEELAELDQRIEAHLDGLAIAGQAGHDALLEQLDAHAQGEAFALAVLAMQAGD--D------ALIGRMRACLAAS-PEARRGFAAALGWLDWD-----------QARPWVERLLASPEPLFRAIGLAACGMHRHD-------PGPALLSALGHADPAVLARAARTAGELRR-------------RDLMANIRAYRAHDDPSLRFWANWATAQMGDE--EALGPLR-AF---AGQPGPFQLPATMVLLAWQPRDTS---MAWIRQLMQ--AADTRRIGIQATGLFGD------PVAVPWLIQQMRDES--LARVAGEAFSLITGADLALLDLELEALPDYDPGPNDDLDDDNVALDDDENLSWPEAERVSAWWRDNGARFVAGRAYLLGEPLGEARCRQVLRDGQQRQRMAAACLLARFVPNLPLFPTGAPVRRQLDLF |
2VGL Chain:B ((130-420)) | --------------------------------------------------------------------LKDEDPYVRKTAAVCVAKLHDINAQMVEDQGFLDSLRDLIADSNPMVVANAVAALSEISESHPNSNLLDLNPQNINKLLTALNECTEWGQIFILDCLSNYNPKDDREAQSICERVTPRLSHANSAVVLSAVKVLMKFLELLPKDSDYYNMLLKKLAPPLVTLL-SGEPEVQYVALRNINLIVQKRPEILKQEIKVFFVKYNDPIYVKLEKLDIMIRLASQANIAQVLAELKEYATEVDVDFVRKAVRAIGRCAIKVEQSAERCVSTLLDLIQTKVNYVVQEAIVVIRDIFRKYPNKYESIIATLCENLDSLDEPDARAAMIWIVGEYAERIDNADELLESFLEGFHDESTQVQLTLLTAIVKLFLKKPSETQELVQQVLSLATQDSDNPDLRDRGYIYWRLLSTDP |
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General information:
TITO was launched using:
| RESULT:
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Template: 2VGL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -102161 for 1717 contacts (-59.5/contact) +
2D Compatibility (PS) -25509 + (NN) -18218 + (LL) 6576
1D Compatibility (HY) -10000 + (ID) 1850
Total energy: -151162.0 ( -88.04 by residue)
QMean score : 0.278
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