Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTKDIEYLTADYDNEKSSIQSVIDAIEGQDFLDVDTTMDDAVSDVSSLDEDGAISLTSSVVGPQGSKLMGYYQNELYDYASQLDSKMKEIIDTPFIEDIDKAFKGITNVKLENILIKNGGGHGRDTYGASGKIAKGDAKKSDSDVYSIDEILKSDQEFVKVIDQHYKEMKKEDKKLSKSDFEKMMTQGASCDYMTVAEAEEIEEQKKKEEAIEIAALAGMVVLSCINPVAGAVAIGAYSAYSAANAATGKNIVTGRKLSKEERIMEGLSLIPLPGMGFLKGAGKSLMKLGFKGGEKFAVKTGLQKTMQQAVSRISPKMGMMKNSVLNQSRNFAQNTHVGQMLSNMRGQATHTVQQSRNWIGQQAQNVKRIVNNGLDKEIAHPFKQQLAPAGMGGIKFAETTTLRNMGQNMKRAVTPQNHVTHGPKDSMVRSEGKHSVSSHEINLSKYVESPNYTKVKYGEQYARLRPKKLKANIEYTTPTGHIYRT-DHKGRIKEVYVDNLSLKD---GGRNNHAQRTVGGEDRLPDDDGGHLIARMFGGSK-DIDNLVAQSKYINRSF------KENGDWYKLEKLWEKAIKSGKS-IENIKIEVKYKGNSQRPTIFKVEYE-INGKRNIRRILNK |
2XGR Chain:A ((56-207)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FTANYQLQLGELDNLNRATFSHI-QLQDRHETKDVRTKI-----------WVMNRGHLVGYQFCGLNDEPRNLVAMTAWLNTGAYSGANDSNPEGMLYYENRLDSWLALHPDFWLDYKVTPIYSGNEVVPRQIELQYVGIDSS--------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2XGR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -3314 for 772 contacts (-4.3/contact) +
2D Compatibility (PS) -12926 + (NN) -5183 + (LL) 30360
1D Compatibility (HY) -5200 + (ID) 1150
Total energy: 2587.0 ( 3.35 by residue)
QMean score : 0.444
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