Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | LKKLTYVIITGLVLVFIAGAFWITNSTNQSDQKATQTEPIKKISPANVKTISSEAKKTLNSLASSGADKASISDLKQLIKELKSYPTEKNDSGVYLQNLTACLEAVKSYTTGKADEKTLGKVYPAFLASEQKLSAIEKTNQYDWFYAAAATNQQGLKEKGVVTLTMVGDNSFGTYPETPEHLKFDNVFQKNNGNNTYVYKNCLPWF--KSDDYTIINAESAFTNATKAENKMWRIKSDPAHVAFLPASGVDAANLANNHTMDYFQVGYDDTLKAFKENNIPVFNADAPLETTIKGMKTVLLGYDCRMSQQSPAYLERIVKDVKKYKKEDTLVIVNMHWGVEYRETPTDYQTQFGHAILDAGADIIMGSHPHRLESVEKYKDKYIVYSMGDFAFGADPTLLSRMTSMFQLRFTKEDNKIVLKDISIVPTYENSDGSTTENNYQPLPVFGDDAKKIVDELNRISKPIEGGVTEYTYFDPF |
3AV0 Chain:A ((18-229)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------GSHMMFVHIADNHLGYRQYNLD--------DR-EKDIYDSFKLCIKKILEIKPDVVLHS--GDLFNDLR-P-PVKALRIAMQAFKKLHENNIKVYIVAGNHEMPRRLGEE-SPLALLK-DYVKILDG--KDVINVNGEEIFICGTYYHKKSKREEMLDKLKNFESE-AKNYKKKILMLHQGINPY-IPLDYEL---EHFDLPKFSYYALGHIHKRILER-FNDGILAYS-GSTEII------------------------------------------------------------------------------------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3AV0.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -37970 for 1670 contacts (-22.7/contact) +
2D Compatibility (PS) -22739 + (NN) -8344 + (LL) 16820
1D Compatibility (HY) -6000 + (ID) 1500
Total energy: -59733.0 ( -35.77 by residue)
QMean score : 0.248
|
|
|