Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQNFSFRQAAVIGAGTMGRGIVMCLANAGLDVQWLDSNPQMLNQALGAVADTYAHNVRQGRIGEEEAAARRARITPVQHLAAMREADLVIEAVYENLELKQSIFRELDAALKPSAVLASNTSYLDIDAIAAVTARPRQVLGLHFFSPAHIMRLLEIVRGAQTAPAVLEAALALGERMGKVSVVAGNCHGFIGNRMLEPYATEARLMLLEG-ALPYQVDRALQ-AFGFAMGPFRMYDVVGIDLEWRAREL--AGVGQDQ-PAVQVDNRLCEMGRFGQKSGAGYYRYAPGSRQAEHDTEVDALVLRVAETLGYPRRDFADEEILERCLLALVNEGAKILDEGIAARSADIDTVYLNGYGFPAAEGGPMAWADRLGAADLLQRLRFLEQRHGARWKPASLVERLAAEGGAFADLQEVR |
4KUG Chain:A ((1-281)) | ------MKKVFVLGAGTMGAGIVQAFAAKGCEVIVRDIKEEFVDRGIATITKSLSKLVAKEKITEADKEEILSRISGTTDMKLAADCDLVVEAAIENMKIKKEIFAELDGICKPETILASNTSSLSITEVASATKRADKVIGMHFFNPAPVMKLVEVIRGAATSQETFDAVKEMSESIGKTPVEVAEAPGFVVNRILIPMINEATFILQEGVAKEEDIDAAMKLGANHPMGPLALGDLIGLDVCLAIMDVLYNETGDTKYRASSLLRKYVRAGWLGRKTGKGFYDYS--------------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4KUG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -170107 for 2280 contacts (-74.6/contact) +
2D Compatibility (PS) -30254 + (NN) -10806 + (LL) 9616
1D Compatibility (HY) -21200 + (ID) 4650
Total energy: -227401.0 ( -99.74 by residue)
QMean score : 0.532
|
|
|