Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRKKLFGQLQRIGKALMLPVAILPAAGLLLAIGTAIQGEALQHYLPFIQNGGVQNVAKLMTAAGSIIFENLPMIFALGVAIGLAGGDGVAAIAAFVGYIIMNKTMGDFLQVTPKNVTDPASGYASILGIPTLQTGVFGGIIIGALAAWCYNKFYNINLPSYLGFFAGKRFVPIMMATTSFILAFPMALIWPTIQSGLNAFSTGLLDSNTGVAVFLFGFIKRLLIPFGLHHIFHAPFWFEFGSWKNAAGEIIHGDQRIFIEQIREGAHLTAGKFMQGEFPVMMFGLPAAALAIYHTAKPENKKVVAGLMGSAALTSFLTGITEPLEFSFLFVAPLLFFIHAVLDGLSFLTLYLLDVHLGYTFSGGFIDYVLLGVLPNKTQWWLVIPVGLVYAVIYYFVFRFLIVKLKYKTPGREDKQSQAVTASATELPYAVLEAMGGKANIKHLDACITRLRVEVNDKSKVDVPGLKDLGASGVLEVGNNMQAIFGPKSDQIKHEMQQIMNGQVVENPTTMEDDKDETVVVAEDKSATSELSHIVHAPLTGEVTPLSEVPDQVFSEKMMGDGIAIKPSQGEVRAPFNGKIQMIFPTKHAIGLVSDSGLELLIHIGLDTVKLNGEGFTLHVEEGQEVKQGDLLINFDLDYIRNHAKSDITPIIVTQGNITNLDF-KQGEHGNISFGDQLFEAK |
2GPR Chain:A ((15-148)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VLAPCDGTIITLDEVEDEVFKERMLGDGFAINPKSNDFHAPVSGKLVTAFPTKHAFGIQTKSGVEILLHIGLDTVSLDGNGFESFVTQDQEVNAGDKLVTVDLKSVAKKVPSIKSPIIFTNNGGKTLEIVKMGE-------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2GPR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -70180 for 1045 contacts (-67.2/contact) +
2D Compatibility (PS) -13800 + (NN) -2412 + (LL) 40068
1D Compatibility (HY) -12000 + (ID) 3100
Total energy: -61424.0 ( -58.78 by residue)
QMean score : 0.605
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