Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPEKNIVLIGAGYAGVHAAKKLAKKYKKDKDVNITLIDRHSYHTM-MTELHEVAGGRVEP--TAIQYDLRRLFNRTKVNL-VTDNVTHVDHDKKVVTTE------HGSYPFDYLVLGMGGEPNDFGTPGVGE-NGFTLWSWEDSVKLRNHIEETVTKASREQDVEKRKAMLTFVVCGSGFTGIEMVGELLEWKDRLAKDNKIDASEIKLVVVEAAPTILNMLERRDADKAERYMVKKGIEIMKNAAIVEVKPES---IVLKSGEELPTSTLIWTAGVRANS-DTKDYGMESARAGRLKVNQYMEAEGLKDVYVVGDLAYFEDEEG--KPTPQIVEGAEQTALTAAKSIIVEMSGTGEKEPFQGKYHGVMVSIGAKYGVAHLGGMHLSGWFAILMKHMVNLYYFFGIRSGYYMWQYIMHEFFHIKDHRNIFRGWTSRYGNVLWVLPLRVYLGWFWIDEALSKIYGETTWDKVSITNLKPLFNGIGSDSWLTATTSKMPFEWLQTAATSGASQAAGDAAGAAATNVTTPILSHMPGWFQWIMELLMPNLDVALVMQKVVPFVELAIGLAMVVGLFTWLVSIGSAGFLVMFTLSAMLGWDKFWALPASIALLNGAGRTFGLDYWAVPWFQKHLGHWWYGKPRSVYRDK |
3CGB Chain:A ((37-353)) | ---MNYVIIGGDAAGMSAAMQIVRND---ENANVVTLEKGEIYSYAQCGLPYVISGAIASTEKLIARNVKTFRDKYGIDAKVRHEVTKVDTEKKIVYAEHTKTKDVFEFSYDRLLIATGVRPVMPEWEGRDLQGVHLLKTIPDAERILKTLE--------------TNKVEDVTIIGGGAIGLEMAETFVEL-------------GKKVRMIERNDHIGTIYDGDMAEYIYKEADKHHIEILTNENVKAFKGNERVEAVETDKGTYKADLVLVSVGVKPNTDFLEGTNIRTNHKGAIEVNAYMQT-NVQDVYAAGDCATHYHVIKEIHDHIPIGTTANKQGRLAGLNMLDK------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CGB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -185945 for 2499 contacts (-74.4/contact) +
2D Compatibility (PS) -32540 + (NN) -8395 + (LL) 23360
1D Compatibility (HY) -13200 + (ID) 3200
Total energy: -219920.0 ( -88.00 by residue)
QMean score : 0.487
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