Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLKIVLVDDEPLILKGLESIIPEFEQSIEIIGTAKNGAVALDLFANQEVDVLLTDIEMPVMNGLELIDEWKKRQPATKTIVLSGFEDFHYVKRGLSAGIENYLLKPLNEQELKETLIQIEKKQMTDSVIPREEAYYILRDNTIWRWLNLRINKEEWEERLALYDMALNPKENAVLIQIQATKEIDLAEWKNLSEQYRKDFSFMLLTPENEIIVGITEQTSISEQILAIHQDMKKRISNEAFYLFISEKVQGEMMYPQAFRQLTRLLPERLVQEPGSLIAYQKRTKHTWRPKRKQHQLAKLLVMNNEKEIKAWINNFFKEWNDHKLESDPHQMLHILNELLVMMAESDPKELSESMGRIAEETSIEGLEEATLAYAIRYYNRKKQTDESKSPIIQNVLSYITEHFAEGMSLKTLGNDFHINAVYLGQLFQKEMGEHFTDYLNRYRVNYAKEELLQTKDNLTIIAGKSGYTDMAYFYRQFKKHTGETPNRYRKIHQ |
4LE2 Chain:D ((5-117)) | MISIFIAEDQQMLLGALGSLL-NLEDDMEVVGKGTTGQDAVDFVKKRQPDVCIMDIEMPGKTGLEAAEELK--DTGCKIIILTTF----YFQRAIKAGVKGYLLKDSPSEELANAI------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4LE2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -76861 for 863 contacts (-89.1/contact) +
2D Compatibility (PS) -11725 + (NN) -5402 + (LL) 31496
1D Compatibility (HY) -12000 + (ID) 1900
Total energy: -76392.0 ( -88.52 by residue)
QMean score : 0.581
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