Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSTINNSEDKKKIIRDLVTKSIKKGGFITFDDINDKLSDENLSSDFIDDTISLLQDSGINILESSEDEEEAPSNSDDSKLDDDDALSNTTTTLVQNDDPVRVYLQDMSSVKLLSRTDEIEIAKKIESEKHNMLRAIIETSVTLKMIKAWRDDLSSGSLLLREIIDLDAIYNSDFNAIPKEESEESIEDDKDSENVSEGTKDDEYCEDDEIDSKKGNDEKENSNEDINSANLNVSILEMENDLLPKVIVALDEIITLADEALTLRKDPSGGLRYQNLYDQIWSIVLQIKLSDTAVAKITQKLYNINRSIMLEEANLISEAKKYNIDRESFLKVYADVLLRYKLEEISSLKSSENQFCFTGELKNKFVKFIDDNFEHIADTLNNIKQHIQEDNVQEFKELIKRTQKHEREVSEAKQGMIKANLRLVVSIAKKYSNRGLALLDLIQEGNIGLMKAVDKFDYKRGYKFSTYGTWWVRQSITRAIPEQSKVVRIPVHMVEIISKINRALRKLTHEMGREPTLEELSMELGMPLERIRKVMKIARDPVSLDAPTGKDDSSTFGDCIEDKRVSKPEDAAILTDLRCITTNLLATLTPKEERIIRMRFGLGKDCKEHTLEEIGCIFKVTRERIRQVESKALRKLKHPCRARKLRGFF |
3UGO Chain:A ((98-184)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LKRYLHIAREG----EAARQHLIEANLRLVVSIAKKYTGRGLSFLDLIQEGNQGLIRAVEKFEYKRRFKFSTYATWWIRQAINRAIADQAR-------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3UGO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -29086 for 547 contacts (-53.2/contact) +
2D Compatibility (PS) -9333 + (NN) -2759 + (LL) 38472
1D Compatibility (HY) -11200 + (ID) 2600
Total energy: -16506.0 ( -30.18 by residue)
QMean score : 0.577
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