Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLENRVKTKQIFIGGVAIGGDAPISTQSMTFSKTADIESTKNQIDRFKLAGADLVRVAVSNEKDALALKELKKV-----SPLPLIADIHFHYKFALIA----AQSVDAIRINPGNIG---SKDK-----IKAVVDACKEKNIPIRIGVNAGSLEKQF------DQKYGPTPK--------GMVESAL--YNAKLLEDLDFTDFKISLKASDVVRTIEAYRMLRPLVIYPFHLGVTEAGNLFSSSIKSAMALGGLLMEGIGDTMRVSIT---GELEN-EIKVARAILRHSGRLKEGINWISCPTCGRIEANLV-DMASKVEKRLS------HIKTP----LDISVMGCVVNALGEAKHADMAIAFGNRS----GLIIKEGKVIHKLAEKDLFETFVIEVENLAKEREKSLKD |
4S3A Chain:A ((5-401)) | ----RRPTPTVYVGRVPIGGAHPIAVQSMTNTPTRDVEATTAQVLELHRAGSEIVRLTVNDEEAAKAVPEIKRRLLAEGAEVPLVGDFHFNGHLLLRKYPKMAEALD-FRINPGTLGRGRHKDEHFAEMIRIAMDLGK----PVRIGANWGSLDPALLTELMDRNARRPEPKSAHEVVLEALVESAVRAYEAALEMGLGEDKLVLSAKVSKARDLVWVYRELARRTQAPLHLGLTEAGMGVKGIVASAAALAPLLLEGIGDTIRVSLTPAPGEPRTKEVEVAQEILQALGLRAFAPEVTSCPGCGRTTSTFFQELAEEVSRRLKERLPEWRARYPGVEELKVAVMGCVVNGPGESKHAHIGISLPGAGEEPKAPVYADGKLLTILKGEGIAEEFLRLVEDYVKTRFAP--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4S3A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -151059 for 2750 contacts (-54.9/contact) +
2D Compatibility (PS) -37868 + (NN) -25158 + (LL) 984
1D Compatibility (HY) -22400 + (ID) 6900
Total energy: -242401.0 ( -88.15 by residue)
QMean score : 0.499
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