Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLDVKLLRNNFDEVKQKLQNRG------EDLGEFEKFGELDKRRRTLIVETEALKSQRNEVSQEIAKLKREKQDADAKIEEMRVVGDRIKTLDIELREIDEKLDMILMSIPNIPHESTPVGESEDDNVEIRKWGEVRAFDFEPKAHWDLGTDLDILDFENAAKVTGSRFVFYKKLGARLERALINFMMDLHSNEHGYEEMLPPYMVNRASMTGTGQLPKFEEDAFLIEAEDYFLIPTAEVPVTNYHREDILKAEDLPRKYTAFSACFRSEAGSAGRDTRGLIRQHQFNKVELVQFVKPEDSY----VALEKLTGNAEEVLRRLELPYRVLSMCTADLGFTAAKKYDLEVWIPSYNSYREISSCSNFESFQARRANIRFRREPGSKPEYVHTLNGSGLALGRTVAAILENYQDADGSVRIPKVLQGYMGGIEKIELPK |
1SES Chain:B ((1-413)) | MVDLKRLRQEPEVFHRAIREKGVALDLEALLALDREVQELKKR-------LQEVQTERNQVAKRVPKAPPEEKEA--LIARGKALGEEAKRLEEALREKEARLEALLLQVPLPPWPGAPVG-GEEANREIKRVGGPPEFSFPPLDHVALMEKNGWWE-PRISQVSGSRSYALKGDLALYELALLRFAMDFMAR-RGFLPMTLPSYAREKAFLGTGHFPAYRDQVWAIAETDLYLTGTAEVVLNALHSGEILPYEALPLRYAGYAPAFRSEAGSFGKDVRGLMRVHQFHKVE--QYVLTEASLEASDRAFQELLENAEEILRLLELPYRLVEVATGDMGPGKWRQVDIEVYLPSEGRYRETHSCSALLDWQARRANLRY-RDPEGRVRYAYTLNNTALATPRILAMLLENHQLQDGRVRVPQALIPYMG--------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1SES.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -73809 for 3268 contacts (-22.6/contact) +
2D Compatibility (PS) -43156 + (NN) -17525 + (LL) 2412
1D Compatibility (HY) -26400 + (ID) 7750
Total energy: -166228.0 ( -50.87 by residue)
QMean score : 0.362
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