Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQDTVLVLQDGKCFLGKSIGKKGKCIGEICFTTGITGYQHTITDPSFADQIIMFTFPHVGNVGINDKDNEGKKIFASGVIMRELSP-ASHPSSYVSLSDWLEKSNLVGISGVDTRALTRHLRKHGPQNGIICPLIHSNVTTVCNTCTYDDQAILVIKGLLDELKKHKPVNGIEITDRVSLNNNF----------------KSDLNAKYKVAVVDFGIKASIVSRLIELDCAIELIKPDRGFAQKILSMCPDGIVLSNGPGDPQEIGKSVTPEIDVIVKSKIPILGICMGHQLLAITLGAKTIKMNVGHRGSNHPVYNVSSDKVEITSQNHGFVFDPSSLPNNVEVTHISMFDNSIEGIMAKDYPVFSVQYHPEEAPGTHDSHYLFRRFIDNIALYKVKSA |
1CE8 Chain:B ((2-378)) | IKSALLVLEDGTQFHGRAIGATGSAVGEVVFNTSMTGYQEILTDPSYSRQIVTLTYPHIGNVGTNDADEESSQVHAQGLVIRDLPLIASNFRNTEDLSSYLKRHNIVAIADIDTRKLTRLLREKGAQNG-------------CIIAGDNPDAALA----LEKARAFPGLNGMDLAKEVTTAEAYSWTQGSWTLTGGLPQAKKEDELPFHVVAYDFGAKRNILRMLVDRGCRLTIV-PAQTSAEDVLKMNPDGIFLSNGPGDPAPCDYAIT-AIQKFLETDIPVFGICLGHQLLALASGAKTVKMKFGHHGGNHPVKDVEKNVVMITAQNHGFAVDEATLPANLRVTHKSLFDGTLQGIHRTDKPAFSFQGHPEASPGPHDAAPLFDHFIELIEQYRKT-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1CE8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -181250 for 3384 contacts (-53.6/contact) +
2D Compatibility (PS) -39667 + (NN) -20372 + (LL) 1580
1D Compatibility (HY) -27200 + (ID) 7800
Total energy: -274709.0 ( -81.18 by residue)
QMean score : 0.504
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