Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLNKDLVDHDLSDEVCELLPASRHKTYVVKVGQVKIGGNNPIVVQSMALGVHIDSDNVKSSAKRYAKEIIELAHAGSELVRIALNSEEVARAVPYIVEEINKEGFDGKILVGCGQYELDKLVRNYPDNIKMLGKIRINPGNIGFGDKHDEKFERVIEYAITHDIPVRIGVNWGSLDKYLLQKLMDENSLSNNPKSSDVILRKALVMSALNSAQKAEEIGLSLDKIVISCKVSRVQDLISVYTALAKSSNYALHLGLTEAGTGNKGMISTTAGLTYLLQNGIGDTIRASLTQRPGEPRVNEVAVCQEILQSIGLRHFNPQVNSCPGCGRTNSDRFRILTEEVNDYIKIRMPTWKKKNPGVEHMNIAVMGCIVNGPGESKHANLGISLPGYGEKPISAVYKDGKYFKTLQGDNIFEEFKAIIDDYVKEHYT |
4S23 Chain:A ((5-403)) | ----------------------RRPTPTVYVGRVPIGGAHPIAVQSM---TNTPTRDVEATTA----QVLELHRAGSEIVRLTVNDEEAAKAVPEIKRRLLAEGVEVP-LVGDFHFNGHLLLRKYPKMAEALDKFRINPGTLGRGRHKDEHFAEMIRIAMDLGKPVRIGANWGSLDPALLTELMDRNASRPEPKSAHEVVLEALVESAVRAYEAALEMGLGEDKLVLSAKVSKARDLVWVYRELARRTQAPLHLGLTEAGMGVKGIVASAAALAPLLLEGIGDTIRVSLTPSPKEPRTKEVEVAQEILQALGLRAFAPEVTSCPGCGRTTSTFFQELAEEVSRRLKERLPEWRARYPGVEELKVAVMGCVVNGPGESKHAHIGISLPGAGEEPKAPVYADGKLLTILKGEGIAEEFLRLVEDYVKTRFA |
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General information:
TITO was launched using:
| RESULT:
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Template: 4S23.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -213133 for 3392 contacts (-62.8/contact) +
2D Compatibility (PS) -44190 + (NN) -23308 + (LL) 2160
1D Compatibility (HY) -30400 + (ID) 10100
Total energy: -318971.0 ( -94.04 by residue)
QMean score : 0.599
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