Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MENLDALVSQALEAVRHTEDVNALEQIRVHYLGKKGELTQVMKTLGDLPAEERPKVGALINVAKEKVQDVLNARKTELEGAALAARLAAERIDVTLPGRGQLSGGLHPVTRTLERIEQCFSRIGYEVAEGPEVEDDYHNFEALNIPGHHPARAMHDTFYFNANMLLRTHTSPVQVRTMESQQPPIRIVCPGRVYRCDS-DLTHSPMFHQVEGLLVDEGVSF-----------------------------------ADLKGTIEEFLRAFFEKQLEVRFRPSFFPFTEPSAEVDIQCVICSGNGCRVCKQTGWLEVMGCGMVHPNVLRMSNIDPEKFQGFAFGMGAERLAMLRYGVNDLRLFFDNDLRFLGQFR----------------------------------------------------------------------------------------------------------- |
3CMQ Chain:A ((11-415)) | ---PGSVVELLGKSYPQDDHSNLTRKVL-TRVGRNLHNQQ----------------HHPLWLIKERVKEHFYKQYVGRFGTPLFSVYDNLSPVVT----------------------------------------TWQNFDSLLIPADHPSRKKGDNYYLNRTHMLRAHTSAHQWDLLHAGLD--AFLVVGDVYRRDQIDSQHYPIFHQLEAVRLFSKHELFAGIKDGESLQLFEQSSRSAHKQETHTMEAVKLVEFDLKQTLTRLMAHLFGDELEIRWVDCYFPFTHPSFEMEINF------------HGEWLEVLGCGVMEQQLVNSAG--AQDRIGWAFGLGLERLAMILYDIPDIRLFWCEDERFLKQFCVSNINQKVKFQPLSKYPAVINDISFWLPSENYAENDFYDLVRTIGGDLVEKVDLIDKFVHPKTHKTSHCYRITYRHMERTLSQREVRHIHQALQEAAVQLLGVEGRF |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CMQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -130559 for 2032 contacts (-64.3/contact) +
2D Compatibility (PS) -27572 + (NN) -8649 + (LL) 4072
1D Compatibility (HY) -21200 + (ID) 4200
Total energy: -188108.0 ( -92.57 by residue)
QMean score : 0.344
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