Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MFNYEELFQTYKTPFYLYDFDKIKQAFLNYKEAFKGRKSLICYALKANSNLSILSLLANLGSGADCVSIGEIQRALKAGIKPYKIVFSGVGKSAFEIEQALKLNILFLNVESFMELKTIETIAQSLGIKARISIRINPNIDAKTHPYISTGLKENKFGVEEKEALEMFLWAKKSAFLEPVSVHFHIGSQLLDLDPITEASQKVAKIAKSLIALGIDLRFFDVGGGIGVSYENEETIKLYDYAQGILNSLQ-GLDLTIICEPGRSIVAESGELITQVLYEKKAQNKRFVIVDAGMNDFLRPSLYHAKHAIRVITPCGGREISPCDVVGPVCESSDTFLKDANLPELEPGDKLAIEKVGAYGSSMASQYNSRPKLLELALEDHKIRVIRKREALEDLWRLEIEGLEGV |
3N2B Chain:A ((42-439)) | --PLADLANQYGTPLYVYSRATLERHWHAFDKSVGDYPHLICYAVKANSNLGVLNTLARLGSGFDIVSVGELERVLAAGGDPSKVVFSGVGKTEAEMKRALQLKIKCFNVESEPELQRLNKVAGELGVKAPISLRINPDVDAKTHPYISTGLRDNKFGITFDRAAQVYRLAHSLPNLDVHGIDCHIGSQLTALAPFIDATDRLLALIDSLKAEGIHIRHLDVGGGLGVVY-----PQPSEYAKALLDRLERHRDLELIFEPGRAIAANAGVLVTKVEFLKHT--KNFAIIDAAMNDLIR-------QDIIPLRPR-QGEAQTYDLVGPVCETSDFLGKDRDLV-LQEGDLLAVRSSGAYGFTMSSNYNTRPRVAEVMVDGNKTYLVRQREELSSLWALESVLPE-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3N2B.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -252931 for 3236 contacts (-78.2/contact) +
2D Compatibility (PS) -40445 + (NN) -7236 + (LL) 1228
1D Compatibility (HY) -32400 + (ID) 8650
Total energy: -340434.0 ( -105.20 by residue)
QMean score : 0.480
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