Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLDVKLLRNNFDEVKQKLQNRGEDLGEFEKFGELDKRRRTLIVETEALKSQRNEVSQEIAKLKREKQDADAKIEEMRVVGDRIKTLDIELREIDEKLDMILMSIPNIPHESTPVGESEDDNVEIRKWGEVRAFDFEPKAHWDLGTDLDILDFENAAKVTGSRFVFYKKLGARLERALINFMMDLHSNEHGYEEMLPPYMVNRASMTGTGQLPKFEEDAFLIEAEDYFLIPTAEVPVTNYHREDILKAEDLPRKYTAFSACFRSEAGSAGRDTRGLIRQHQFNKVELVQFVKP--EDSYVALEKLTGNAEEVLRRLELPYRVLSMCTADLGFTAAKKYDLEVWIPSYNSYREISSCSNFESFQARRANIRFRREPGSKPEYVHTLNGSGLALGRTVAAILENYQDADGSVRIPKVLQGYMGGIEKIELPK |
3ERR Chain:A ((178-524)) | -----------------------------------------------------------------------MLKRVEPLRNELQKLEDDAKDNQQKLEALLLQVPLPPWPGAPVGGEE-ANREIKRVGGPPEFSFPPLDHVALMEKNGWWEP-RISQVSGSRSYALKGDLALYELALLRFAMDFMA-RRGFLPMTLPSYAREKAFLGTGHFPAYRDQVWAIAETDLYLTGTAEVVLNALHSGEILPYEALPLRYAGYAPAFRSEAGSFGKDVRGLMRVHQFHKVEQYVLTEASLEASDRAFQELLENAEEILRLLELPYRLVEVATGDMGPGKWRQVDIEVYLPSEGRYRETHSCSALLDWQARRANLRYRDPEG-RVRYAYTLNNTALATPRILAMLLENHQLQDGRVRVPQALIPYMGKE------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3ERR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -102239 for 2742 contacts (-37.3/contact) +
2D Compatibility (PS) -36824 + (NN) -13221 + (LL) 6108
1D Compatibility (HY) -21600 + (ID) 6550
Total energy: -174326.0 ( -63.58 by residue)
QMean score : 0.317
|
|
|