Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKNKKRVLIASSLSCAILLLSAATTQANSAHKDSQDQNKKEHVDKSQQKDKRNVTNKDKNSTVPDDIGKNGKITKRTETVYDEKTNILQNLQFDFIDDPTYDKNVLLVKKQGSIHSNLKFESHKE--EKNSNWLKYPSEYHVDFQVKRNRKTEILDQLPKNKISTAKVDSTFSYSSGGKFDSTKGIGRTSSNSYSKTISYNQQNYDTIASGKNNNWHVHWSVIANDLKYGGEVKNRNDELLFYRNTRIATVENPELSFASKYRYPALVRSGFNPEFLTYLSNEKSN-EKTQFEVTYTRNQDILKNRPG-IHYAPP-ILEKNKDGQRLIVTYEVDWKNKTVKVVDKYSDDNKPYKEG |
3ROH Chain:A ((48-329)) | -------------------------------------------------------------TNIENIGDGAEVIKRTEDVSSKKWGVTQNVQFDFVKDKKYNKDALIVKMQGFINSRTSFSDVKGSGYELTKRMIWPFQYNIGLTTKD-PNVSLINYLPKNKIETTDVGQTLGYNIGGNFQSAPSIGGNGSFNYSKTISYTQKSYVSEVDKQ-NSKSVKWGVKANEFVTPDGKKSAHDRYLFVQSPNGP-TGSAREYFAPDNQLPPLVQSGFNPSFITTLSHEKGSSDTSEFEISYGRNLDITYATLFPRTGIYAERKHNAFVNRNFVVRYEVNWKTHEIKVKGHN---------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3ROH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) 2652 for 2208 contacts (1.2/contact) +
2D Compatibility (PS) -29283 + (NN) -3390 + (LL) 3404
1D Compatibility (HY) -14400 + (ID) 4850
Total energy: -45867.0 ( -20.77 by residue)
QMean score : 0.263
|
|
|