Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKNVFVFSRLAPEHLERLQCQFNVRVLEPKQGDIDAQYAAALPDTHGMIGVGRPLGARQLEQAKQLEVISSVSVGYDNYDLDYLNRRGIALTNTPDVLTETTADLGFALLISAARRVAELDAWVKAGNWKRTVDAPQFGTDVHGKKLGILGLGRIGAAIARRGRFGFGMQ-VLYHGNNRKPELEQELGARFLGFDELLGEADFVCVVVPLGAQTRQLIGARELGLMKPSAILVNVARGQVVDEAALVAALREKRILGAGLDVYEKEPLAES-PLFALDNVVTLPHIGSATHETRRAMAERALQNFEAALRGERPLDLVNPQVWRRG |
2GCG Chain:C ((76-322)) | -----------------------------------------------------------------NLKVISTMSVGIDHLALDEIKKRGIRVGYTPDVLTDTTAELAVSLLLTTCRRLPEAIEEVKNGGWTSWKPLWLCGYGLTQSTVGIIGLGRIGQAIARRLK-PFGVQRFLYTGRQPRPEEAAEFQAEFVSTPELAAQSDFIVVACSLTPATEGLCNKDFFQKMKETAVFINISRGDVVNQDDLYQALASGKIAAAGLDVTSPEPLPTNHPLLTLKNCVILPHIGSATHRTRNTMSLLAANNLLAGLRGE-------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2GCG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -156967 for 1915 contacts (-82.0/contact) +
2D Compatibility (PS) -27292 + (NN) -15320 + (LL) 5600
1D Compatibility (HY) -23600 + (ID) 5450
Total energy: -223029.0 ( -116.46 by residue)
QMean score : 0.520
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