Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTTAAGLSGIDLTDLDNFADGFPHHLFAIHRREAPVYWHRPTEHTPDGEGFWSVATYAETLEVLRDPVTYSSVTGGQRRFGGTVLQDLPVAGQVLNMM--DDPRHTRIRRLVSSGLTPRMIRRVEDDLRRRARGLLDGV------EPGAPFDFVVEIAAELPMQMICILLGVPETDRHWLFEAVEPGFDFRGSRRATMPRLNVEDAGSRLYTYALELIAGKRAEPADDMLSVVANATIDDPDAPALSDAELYLFFHLLFSAGAETTRNSIAGGLLALAENPDQLQTLRSDFELLPTAIEEIVRWTSPSPSKR-RTASRAVSLGGQPIEAGQKVVVWEGSANRDPSVFDRADEFDITRKPNPHLGFGQGVHYCLGANLARLELRVLFEELLSRFGSVRV-VEPAE--WTRSNRHTGIRHLVVELRGG |
2WHW Chain:B ((34-426)) | --------VLDLGALGQDFAADPYPTYARLRAEGPAHRVR----TPEGNEVWLVVGYDRARAVLADP-RFSK----DWRNSTTPLTEAEAALN-HNMLESDPPRHTRLRKLVAREFT---MRRVEL-LRPRVQEIVDGLVDAMLAAPDGRADLMESLAWPLPITVISELLGVPEPDRA-AFRVWTDAFVFPDDP------AQAQTAMAEMSGYLSRLIDSKRGQDGEDLLSALVRTS--DEDGSRLTSEELLGMAHILLVAGHETTVNLIANGMYALLSHPDQLAALRADMTLLDGAVEEMLRYEGPVESATYRFPVEPVDLDGTVIPAGDTVLVVLADAHRTPERFPDPHRFDIRRDTAGHLAFGHGIHFCIGAPLARLEARIAVRALLERCPDLALDVSPGELVWYPNPMIRGLKALPIRWR-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2WHW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -167700 for 3097 contacts (-54.1/contact) +
2D Compatibility (PS) -41280 + (NN) -25005 + (LL) 1416
1D Compatibility (HY) -26800 + (ID) 7300
Total energy: -266669.0 ( -86.11 by residue)
QMean score : 0.470
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