Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGSSIVLKLLKVTHYYRNKQNKKWYLPFGYDAEDIDLNNISLHIYQGEALGIIGEPESSKALVGQLLAGAIKPDKGKVVCTED-----------LFYGYIEDQSLIHQTVEAYTAQLVQLFPYEINDHKAEQIIQYAHLGDYKTKPVNHISKAAYAQLLLSIARSSKSNIIILNHVIDYLTPQFMERAIELTNDYIE-NNLTIVSIGDDIDKISQVSNYIAWFSHGQLRMEGSLKQVIPSFKEHERDRLSLNSKEEIENFDLDWKKNRTRIPEMTYNFKRVERYNHAKPPKFLVRFWTLASGTILGLALMMLLIFNNIGIISITDFTNRATMQNENKDPYGEKLAYGIAFNGSVDMQGDKQVTIPKYSVVTITGENSKNYRVTADNKTYYVSKDKLEYFNPAGLYQTHSFKKLAPYMKSNYSNYYAYFNSQLHKKHSSVIKTLVPDDDNRFVASVTQQPIQLLFNDNNQLYGFVYPIVDKKELKDKFNINNNIWITKVGNGYCIANLKEDKWIYIEL |
3D31 Chain:A ((1-220)) | -----MIEIESLSRKWKN----------------FSLDNLSLKVESGEYFVILGPTGAGKTLFLELIAGFHVPDSGRILLDGKDVTDLSPEKHDIAFVYQNYSLFPHMNVKKNLEFGMRMKKIK-DPKRVLDTARDLKIEHLLDRNPLTLSGGEQQRVALARALVTNPKILLLDEPLSALDPRTQENAREMLSVLHKKNKLTVLHITHDQTEARIMADRIAVVMDGKLIQVGKPEEIFEKPV----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3D31.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -141592 for 1660 contacts (-85.3/contact) +
2D Compatibility (PS) -22965 + (NN) -12401 + (LL) 18112
1D Compatibility (HY) -9200 + (ID) 2000
Total energy: -170046.0 ( -102.44 by residue)
QMean score : 0.496
|
|
|