Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTDKIFQEKVGPVALTIVPTQKYKSNKIVFKFRAPLER---ETVTKRALLSILLETNSEKYPTQTDFRKQLANLYGANFYTTTAKKGNEHVLTVIFDMIDGQYVSDGNHILEDAFAFMEQALFRPNVANDAFNEETLTREKENLKSSLEGIYDDKIRFASKRLVEEMFRDDEFRFGSAGVLEDID------AI-TAKDLYEYYLQFIAEDTIEIFICGDVTKEEVMPLI-EKMAFSPRPERKGIFYT-KEAPKE-V-RVIHEQQAINQGKLVLGYQTETLFGDDDFVALQLANGLLGGFANSKIFINVREKASLAYYASSRIDSF---KGYMIISAGIDEVN---YEQALKIIEEQVVAMKQGNFTDDELNQTKEMLINQLLE-TNDQAQGLIELVYNNVLRDANLDLENWIAKIKQATKEEVVAAINKIKPDT-IYFLSKGGEELHGKNHI |
3CWW Chain:A ((37-471)) | -----GLELANGIKVLLISDPTTDKSSAALDVHIGSLSDPPNIAGLSHFLQHMLFLGTKKYPKENEYSQFLSEH-AGSSNAFTSGE----HTNYYFDVSHE--------HLEGALDRFAQFFLSP-----LFDESAKDREVNAVDSEHEKNVMNDAWRLFQLEKATGNPKHPFSKFGTGNKYTLETRPNQEGIDVRQELLKFHSAYYSSNLMAVVVLGRESLDDLTNLVVKLFSEVENKNVPLPEFPEHPFQEEHLKQLYKIVPIKDIRNLYVTFPIPDLQKYYKSNPGHYLGHLIGHEGPGSLLSELKS-KGWVNTLVGGQKAGARGFMFFIINVDLTEEGLLHVEDIILHMFQYIQKLRAEGPQEWVFQELKDLNAVAFRFKDKERPRGYTSKIAGILHYYPLEEVLTAEYLLEEFRPDLIEMVLDKLRPENVRVAIVSKS--------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CWW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -142564 for 3169 contacts (-45.0/contact) +
2D Compatibility (PS) -43364 + (NN) -27483 + (LL) 1184
1D Compatibility (HY) -7200 + (ID) 2000
Total energy: -221427.0 ( -69.87 by residue)
QMean score : 0.435
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