Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKMEACYSFDDILLLPAYSNILPCNADTKTYLTNSIELNIPLISSAMDTVTESDFAITIAQHGGIGCIHKNLSVDEQVSEVRRVKKYENWIVYNPITISPDKTVAEAISLMKKHDYSGIPVVDQRKLVGVLTNRDIRFIEDQNMSIKVSEVMTKEKLVTIREQEVDSASAMKLLHENRIEKLLVIDENFCCIGLITVKDIEKYNRYPNSCKDSKGRLRVAAAVGTGKKDGIERCEALIGEEIDVIIVDTAHGHSENVIDTIKEIKTMYPNTQLVGGNIATKEAAEALIDAGVDAVKVGIGPGSICTTRVVTGVGVPQFSAIQSVAETCKARKVRLIADGGIKYSGDIAKAIAAGADSVMIGSIFAGTDESPGEIIMYKGRAYKGYRGMGSISAMKQGSASRYFQDKDSKLKLVPQGVEGRVPFKGPASGVIHQLIGGLQAAMGYTGNRNIEEMKKNCRFVIITASGLRESHAHDIIITQEAPNYAYQVFNLLTDSDA |
4QQ3 Chain:A ((95-344)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GGLRVGAAVGAAPGNE-ERVKALVEAGVDVLLIDSSHGHSEGVLQRIRETRAAYPHLEIIGGNVATAEGARALIEAGVSAVKVGIGPGSICTTRIVTGVGVPQITAIADAAGVANEYGIPVIADGGIRFSGDISKAIAAGASCVMVGSMFAGTEEAP-------GRSYKAYRGMG------------------------------RIAYKGHLKEIIHQQMGGLRSCMGLTGSATVEDLRTKAQFVRISGA-------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4QQ3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -114969 for 1625 contacts (-70.8/contact) +
2D Compatibility (PS) -23501 + (NN) -10771 + (LL) 20660
1D Compatibility (HY) -21200 + (ID) 5850
Total energy: -155631.0 ( -95.77 by residue)
QMean score : 0.536
|
|
|