Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRVYENKEELKKEISKTFEKYIMEFNNIPENLKDKRIDEVDRTPAENLSYQVGWTNLVLKWEEDERKGLQVKTPSDKFKWNQLGEL----------YQWFTDTYAHLSLQELKAKLNENINSIYAMIDLLSEEELFEAHMRKWADEATKTATWEVYKFIHVNTVAPFGTFRTKIRKWKKIVL |
3CEX Chain:A ((3-166)) | --AMKVTQLSSETLDRAHERFEETLAQMTVAEANTMPAPLIKSVTWLMWHTARELDLQISALNHSDPL----WLSQHWT-EKFALDLPDETEDWHHTPEEAAKVVVAEKQLLSDYLAASVALTKSYLDQIKEEQLSDVIDKNWTP------PVTRQVRLVS-AIDDAVMHSGQAVYTRRLVI |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CEX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 17798 for 1145 contacts (15.5/contact) +
2D Compatibility (PS) -15687 + (NN) -3963 + (LL) 1496
1D Compatibility (HY) 3200 + (ID) 550
Total energy: 2294.0 ( 2.00 by residue)
QMean score : 0.313
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