Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAISLLQGKKGLITGIINKRSIAYGIVKTLSEHGAESAVTYQNEIVKERLLSIAAELNVELVLNCDVANEGTIDDVFKSIEEKWGTLDFLVHAIAFSDKNELSGKYVNTSLNNFQNAMNISCYSFTALAQRAEKMMPNGGSLLTLSYYGAEKVMPNYNVMGLCKAALEASVKYLACDLGPQNIRVNAISAGPIRTLASSGISDFHFISEWNRNNSPLRRNTTLEDVGKAALYLLSDLSSGTTGEILHVDSGYNVVGMKAIDSNIINSYQN |
3K2E Chain:A ((27-282)) | ----LMEGKKGVIIGVANDKSLAWGIAKAVCAQGAEVALTYLSETFKKRVDPLAESLGVKLTVPCDVSDAESVDNMFKVLAEEWGSLDFVVHAVAFSDKNELKGRYVDTSLGNFLTSMHISCYSFTYIASKAEPLMTNGGSILTLSYYGAEKVVPHYNVMGVCKAALEASVKYLAVDLGKQQIRVNAISAGPVRTLASSGISDFHYILTWNKYNSPLRRNTTLDDVGGAALYLLSDLGRGTTGETVHVDCGYHVVGMKSV---------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3K2E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -166051 for 2161 contacts (-76.8/contact) +
2D Compatibility (PS) -27486 + (NN) -6833 + (LL) 776
1D Compatibility (HY) -32400 + (ID) 8450
Total energy: -240444.0 ( -111.27 by residue)
QMean score : 0.531
|
|
|