Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | VTFERLGTMNVNAEGHLEIGGVDTLKLADKYGTPLYVYDVALIRDRARGFKKTFEELGVKAQVAYASKAFSAVAIYQLMAEEGLSLDVVSGGELFTAIKANFPPERIHFHGNNKSAEEIHMALDYGIGCFVIDNYYEISLLEDILIERNEKASVLIRVTPGIEAHTHDYILTGQDDSKFGFGLTNGQAEKAIKQVLHASASFDLIGLHCHIGSQIFETTGFKLAARRIMDKLVEWHQTLGFDSKVLNLGGGFGVRYTAEDEPLEPSEYVRQIMDEVRDVAESNDIDIPEIWIEPGRSLVGEAGTTLYKVGSRKEVPGIRNYIAVDGGMSDNIRPALYDAHYDAVLAANPEKVAEETVAIAGKCCESGDMLIWDLPLPKSNAGEVLAVFCTGAYGYAMASNYNRIPRPPVVFVENGVDKLIVARETYENLVQNDLSL |
2P3E Chain:A ((5-419)) | --KEYNPYLEY-RDGELFIEGVSLKELAQTFGTPLYVYSSNFIKERFEAYRKAF----PDALICYAVKANFNPHLVKLLGELGAGADIVSGGELYLAKKAGIPPERIVYAGVGKTEKELTDAVDSEILMFNVESRQELDVLNEIAGKLGKKARIAIRVNP----------------SKFGVDIR--EAQKEYEYAS-KLENLEIVGIHCHIGSQILDISPYREAVEKVVSLYESL-TQKGFDIKYLDIGGGLGIKYKPEDKEPAPQDLADLLKDLL---------VKAKIILEPGRSIMGNAGILITQVQFLKDK-GSKHFIIVDAGMNDLIRPSIYNAYHHIIPVETK-E---VVADIVGPICETGDFLALDREIEEVQRGEYLAVLSAGAYGFAMSSHYNMRPRAAEVLVENGSVKLIRKRENYDYIVEPSLD- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2P3E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -265527 for 3434 contacts (-77.3/contact) +
2D Compatibility (PS) -42195 + (NN) -14051 + (LL) 1940
1D Compatibility (HY) -26800 + (ID) 7400
Total energy: -354033.0 ( -103.10 by residue)
QMean score : 0.549
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