Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLNKDLVDHDLSDEVCELLPASRHKTYVVKVGQVKIGGNNPIVVQSMALGVHIDSDNVKSSAKRYAKEIIELAHAGSELVRIALNSEEVARAVPYIVEEINKEGFDGKILVGCGQYELDKLVRNYPDNIKMLGKIRINPGNIGFGDKHDEKFERVIEYAITHDIPVRIGVNWGSLDKYLLQKLMDENSLSNNPKSSDVILRKALVMSALNSAQKAEEIGLSLDKIVISCKVSRVQDLISVYTALAKSSNYALHLGLTEAGTGNKGMISTTAGLTYLLQNGIGDTIRASLTQRPGEPRVNEVAVCQEILQSIGLRHFNPQVNSCPGCGRTNSDRFRILTEEVNDYIKIRMPTWKKKNPGVEHMNIAVMGCIVNGPGESKHANLGISLPGYGEKPISAVYKDGKYFKTLQGDNIFEEFKAIIDDYVKEHYT |
4S3C Chain:A ((5-403)) | ----------------------RRPTPTVYVGRVPIGGAHPIAVQSM---TNTPTRDVEATTA----QVLELHRAGSEIVRLTVNDEEAAKAVPEIKRRLLAEGAEVP-LVGDFHFNGHLLLRKYPKMAEALD-FRINPGTLGRGRHKDEHFAEMIRIAMDLGKPVRIGANWGSLDPALLTELMDRNARRPEPKSAHEVVLEALVESAVRAYEAALEMGLGEDKLVLSAKVSKARDLVWVYRELARRTQAPLHLGLTEAGMGVKGIVASAAALAPLLLEGIGDTIRVSLTPAPGEPRTKEVEVAQEILQALGLRAFAPEVTSCPGCGRTTSTFFQELAEEVSRRLKERLPEWRARYPGVEELKVAVMGCVVNGPGESKHAHIGISLPGAGEEPKAPVYADGKLLTILKGEGIAEEFLRLVEDYVKTRFA |
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General information:
TITO was launched using:
| RESULT:
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Template: 4S3C.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -207014 for 3380 contacts (-61.2/contact) +
2D Compatibility (PS) -43768 + (NN) -21794 + (LL) 2224
1D Compatibility (HY) -29600 + (ID) 10100
Total energy: -310052.0 ( -91.73 by residue)
QMean score : 0.611
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