Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | VTFERLGTMNVNAEGHLEIGGVDTLKLADKYGTPLYVYDVALIRDRARGFKKTFEELGVKAQVAYASKAFSAVAIYQLMAEEGLSLDVVSGGELFTAIKANFPPERIHFHGNNKSAEEIHMALDYGIGCFVIDNYYEISLLEDILIERNEKASVLIRVTPGIEAHTHDYILTGQDDSKFGFGLTNGQAEKAIKQVLHASASFDLIGLHCHIGSQIFETTGFKLAARRIMDKLVEWHQTLGFDSKVLNLGGGFGVRYTAEDEPLEPSEYVRQIMDEV---RDVAESNDIDIPEIWIEPGRSLVGEAGTTLYKVGSRKEVPGIRNYIAVDGGMSDNIRPALYDAHYDAVLAANPEKVAEETVAIAGKCCESGDMLIWDLPLPKSNAGEVLAVFCTGAYGYAMASNYNRIPRPPVVFVENGVDKLIVARETYENLVQNDLSL |
3N2B Chain:A ((28-432)) | --------FNYQEDGQLWAEQVPLADLANQYGTPLYVYSRATLERHWHAFDKSVGD--YPHLICYAVKANSNLGVLNTLARLGSGFDIVSVGELERVLAAGGDPSKVVFSGVGKTEAEMKRALQLKIKCFNVESEPELQRLNKVAGELGVKAPISLRINPDVDAKTHPYISTGLRDNK--FGITFDRAAQ-VYRLAHSLPNLDVHGIDCHIGSQLTALAPFIDATDRLL-ALIDSLKAEGIHIRHLDVGGGLGVVY-----P-QPSEYAKALLDRLERHRDL---------ELIFEPGRAIAANAGVLVTKVEFLKHT---KNFAIIDAAMNDLIR-------QD-IIPLRPRQGEAQTYDLVGPVCETSDFLGKDRDLVLQE-GDLLAVRSSGAYGFTMSSNYNTRPRVAEVMVDGNKTYLVRQREELSSL------- |
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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) -268735 for 3347 contacts (-80.3/contact) +
2D Compatibility (PS) -42008 + (NN) -14364 + (LL) 2472
1D Compatibility (HY) -24400 + (ID) 6850
Total energy: -353885.0 ( -105.73 by residue)
QMean score : 0.521
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