Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSDQQLDQHELQQEENKLIAQRKEKLAAVREARAIAFPNDFRRDAYFADLQKQYADKTKEELEAAAIPVKVAGRIMLNRGS-----FIVLQDSSERLQVYVNRKTL--PEETLAEIKTWDLGDIIGAEGVLARSGKGDLYVDMTSVRLLTKSLRPLPDKHHGLTDTEQRYRQRYVDLMVNEETRHTFRVRSQVIAHIRRFLSERGFLEVETPMLQTIPGGAAAKPFETHHNALDMAMFLRIAPELYLKRLVVGGFEKVFEINRNFRNEGVSTRHNPEFTMLEFYQAYADYEDNMDLTEELFRELAQSVLGTTDVPYGDKVFHFGEPFVRLSVFDSILKYNPEITAADLNDVEKARAIAKKAGAKVLGHEGLGKLQVMIFEELVEHKLEQPHFITRYPFEVSPLARRNDEDPSVTDRFELFIGGREIANAYSELNDAEDQAERFMLQVKEKDAGDDEAMHYDADFINALEYGMPPTAGEGIGIDRLVMLLTNSPSIRDVILFPHMRPQA |
| 4UP9 Chain:A ((12-378)) | ----------------QLFLNRCKDVEEYQKAGHNPWPHKFNVSITVPEFIAKYSGLEKSQVSDDI--VSVAGRVLSKRSSSSALMFIDLHDSQTKLQIMLNKSAYENKEDFVSLTKMIYRGDICGFTGHPTRTKTGELSLIPISGMILSPCLHMLPSMHYGLGDQETRFRKRYLDLIVNPESVKNFVLRTKVVKAVRKYLDDKGFLEVETPILNTIPGGATARPFITHHNQLDIQMYMRIAPELYLKELVVGGINRVYEIGRLFRNEGIDQTHNPEFTTCEFYMAYADYNDIMKMTEELLGNMVKDITGGS---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4UP9.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -62018 for 1913 contacts (-32.4/contact) +
2D Compatibility (PS) -30636 + (NN) -9216 + (LL) 14108
1D Compatibility (HY) -28000 + (ID) 6250
Total energy: -122012.0 ( -63.78 by residue)
QMean score : 0.409
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