Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGCIKSKGKDSLSDDGVDLKTQPVRNTERTIYVRDPTSNKQQRPVPESQLLPGQRFQTKDPEEQGDIVVALYPYDGIHPDDLSFKKGEKMKVLEEHGEWWKAKSLLTKKEGFIPSNYVAKLNTLETEEWFFKDITRKDAERQLLAPGNSAGAFLIRESETLKGSFSLSVRDFDPVHGDVIKHYKIRSLDNGGYYISPRITFPCISDMIKHYQKQADGLCRRLEKACISPKPQKPWDKDAWEIPRESIKLVKRLGAGQFGEVWMGYYNNSTKVAVKTLKPGTMS---VQAFLEEANLMKTLQHDKLVRLYAVVTREEPIYIITEYMAKGSLLDFLKSDEGGKVLLPKLIDFSAQIAEGMAYIERKNYIHRDLRAANVLVSESLMCKIADFGLARVIEDN---EYTAREGAKFPIKWTAPEAIN--FGCFTIKSDVWSFGILLYEIVTYGKIPYPGR-TNADVMTALSQGYRMPR---VENCPDELYDIMKMCWKEKAEERPTFDYLQSVLDDFYTATEGQYQQQP |
4ITJ Chain:A ((8-291)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NVIKMKSSDFLE--------FGKVSLAFHRTQGLMIMKTVYKGPNCIEHNEALLEEAKMMNRLRHSRVVKLLGVIIEEGKYSLVMEYMEKGNLMHVLKAE--MSTPLSVKGRIILEIIEGMAYLHGKGVIHKDLKPENILVDNDFHIKIADLGLASFKMWSKLN---------GTLYYMAPEHLNDVNAKPTEKSDVYSFAVVLWAIFA-NKEPYENAIAEQQLIMAIKSGNRPDVDDITEYCPREIISLMKLCWEANPEARPTFPGIEEKFRPFYLS--------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4ITJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -150875 for 1881 contacts (-80.2/contact) +
2D Compatibility (PS) -26395 + (NN) -10643 + (LL) 13876
1D Compatibility (HY) -21600 + (ID) 4100
Total energy: -199737.0 ( -106.19 by residue)
QMean score : 0.431
|
|
|