Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ----------------------------------------------------------MNLQSIIKELQDFWIGEGCTILHPYTSEVGAGTLHPATIMSAIDVKPTKIAYLQPVVRPADGRYGDNPNRLYQHHQ-------YQVIIKPSGNNL----QDVYLSSLRALGISTEKY---------DIKFIEDDWENPSVGASGLG----WEVTCNGMEVTQLTYIQQ----IGSINCRIIPGEV---------------AYGLERLAMCIQGVNNVYDIIWNDNGITYGDIFKQREYELS-------YLALDYYNTEVVQQQFEDTEK-LCKFLIEKELPVAAYDQC---------VKTSHLLNLL----DARGILGVN------------ERTAYI------GRVRELTKK--CCELYMSK- |
3ACP Chain:A ((1-417)) | MTKTITVAHIQYDFKAVLEENDENDDEFYINVDKNLNEIKEHKIVVLGNSRGVDAGKGNTFEKVGSHLYKARLD-GHDFLFNTIIRDGSKMLKRAD-YTAVDTAKLQMRRFILGTTEGDIKVLDSNFNLQREIDQAHVSEITKLKFFPSGEALISSSQDMQLKIWSVKDGSNPRTLIGHRATVTDIAIIDRG--RNVLSASLDGTIRLWECG-TGTTIHTFNRKENPHDGVNSIALFVGTDRQLHEISTSKKNNLEFGTYGKYVIAGHVSGVITVHNVFSKEQTIQLPSKFTCSCNSLTVDGNNANYIYAGYENGMLAQWDLRSPECPVGEFLINEGTPINNVYFAAGALFVSSGFDTSIKLDIISDPESERPAIEFETPTFLVSNDDEVSQFCYVSDDESNGEVLEVGKNNFCALYNLSNP |
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General information:
TITO was launched using:
| RESULT:
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Template: 3ACP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -63617 for 1952 contacts (-32.6/contact) +
2D Compatibility (PS) -28839 + (NN) 5454 + (LL) 624
1D Compatibility (HY) -10000 + (ID) 2950
Total energy: -99328.0 ( -50.89 by residue)
QMean score : 0.099
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