Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVPVVSPGPLVPVADFGPLDRLRGWIVTGLITLLATVTRFLNLGSLTDA---GTPIFDEKHYAPQAWQVLNNHG---VEDN----PGYGLVVHPPVGKQLIAIGEAIFGY----N-GFGWRFTGALLGVVLVALVVRIVRRISRSTLVGAIAGVLLICDGVS-FVTAR--TALLDGFLTFFVVAAFGALIVDRDQVRERMHIALLAGRSAATVWGPRVGVRWWRFGAGVLLGLACATKWSGVYFVLFFGAMALAFDVAARRQYQVQRPWLGTVRRDVLPSGYALGLIPFAVYLATYAPWFASETAIDRHAVGQAVGRNSVVPLPDAVRSLWHYTAKAFHFHAGLTNSAGNYHPWESKPWTWPMSLRPVLYAIDQQDVAGCGAQSCVKAEMLVGTPAMWWLAVPVLAYAGWRMFVRRDWRYAVVLVGYCAGWLPWFADIDRQMYFFYAATMAPFLVMGISLVLGDILYHPGQGSERRTLGLIVVCCYVALVVTNFAWLYPVLTGLPISQQTWNLEIWLPSWR |
3WAJ Chain:A ((15-286)) | -------------------------SVLVIAALISVKLRILNPWNSVFTWTVRLGGNDPWYYYRLIENTIHNFPHRIWFDPFTYYPYGSYTHFGPFLVYLGSIAGIIFSATSGESLRAVLAFIPAIGGVLAILPVYLLTREVFD-KRAAVIAAFLIAIVPGQFLQRSILGFNDHHIWEAFWQVSALGTFLLAYNRWKGH---------DL------TARQMAYPVIAGITIGLYVLSWGAGFIIAPIILAFM----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WAJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -139477 for 1435 contacts (-97.2/contact) +
2D Compatibility (PS) -19673 + (NN) -3850 + (LL) 23308
1D Compatibility (HY) -6800 + (ID) 1700
Total energy: -148192.0 ( -103.27 by residue)
QMean score : 0.363
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