Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMFNMKESVFQGRSLLAEKDFTKEELQYLIDFSEHLKDLKKRGIPHHYLEG-KNIALLFEKTSTRTRSAFTTAAIDLGAHPEYLGANDIQLGKKESTEDTAKVLGRMFDGIEFRGFSQKMVEELAEFSGVPVWNGLTDEWHPTQMIADFLTIQENFGTVEGITVAYCGDGRNNMANSLLVTGAILGANMRIVAPKELQPEEEIVKMAEGFAEKSGAQLMITDDVDKGVDGADVLYSDVWVSMGEEDKFEERIKLLKPYQINMEMVEKTHNTDRLIFLHCLPAFHDTNTVYGEQMKERFGITEMEVTDEVFRSKYARQFDQAENRMHSIKAIMAATLGNLFIPRV
2I6U Chain:C ((3-300))-----------RHFLRDDDLSPAEQAEVLELA---AELKKDPVSRRPLQGPRGVAVIFDKNSTRTRFSFELGIAQLGGHAVVVDSGSTQLGRDETLQDTAKVLSRYVDAIVWRTFGQERLDAMASVATVPVINALSDEFHPCQVLADLQTIAERKGALRGLRLSYFGDGANNMAHSLLLGGVTAGIHVTVAAPEGFLPDPSVRAAAERRAQDTGASVTVTADAHAAAAGADVLVTDTWTSMGQENDGLDRVKPFRPFQLNSRLLALADSD--AIVLHCLPAHRGD-----------------EITDAVMDGPASAVWDEAENRLHAQKALL------------


General information:
TITO was launched using:
RESULT:

Template: 2I6U.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1753 -12181 -6.95 -41.01
target 2D structure prediction score : 0.70
Monomeric hydrophicity matching model chain C : 0.80

3D Compatibility (PKB) : -6.95
2D Compatibility (Sec. Struct. Predict.) : 0.70
1D Compatibility (Hydrophobicity) : 0.80
QMean score : 0.584

(partial model without unconserved sides chains):
PDB file : Tito_2I6U.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2I6U-query.scw
PDB file : Tito_Scwrl_2I6U.pdb: