Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MLKIAIVGLPNAGKSTLFNRILGRKAAVVSNIPGITRDRQEGVGRISDLELKIIDTGGWNDQTNFFLQIVEQIEFSLFSADIIFFLVDAKVQ-NEQNKEFAKWLKRRTNKSVILIANKCESYK-SENIDYLQFFDFIGPVYISAEHNLGMVDLYNALAGVIDSSTNFSSVIPKPLPVIKVAGTGIQEKNEQISTLHAENQSNQPNRLRVAIIGRPNVGKSTFLNSLLSENRLITSSEPGTTRDSVDITYNHNGKLITLIDTAGIRRRANLIDNLELKFVKKSMESIKRSHVVVLMLDSLLGIKQQDLSIGEAAIKGGKGIIIVLNKWDLINKDDRSRLIKFVRQQEITRLFLE-VPTVTISALKGIRCSDVIDKCLEVNEFLNKKISTAKVNKWLVDALGRHPHPFVKGRAIRMKYIAQIGTKPPAFSLTCNVPEGVDESYKRYLTNDLRKNFFIDGIPVRLLLKKNKNPYVK |
| 4DCS Chain:A ((26-455)) | ---VAIVGRPNVGKSTIFNRIAGERIS-----------RIYSSAEWLNYDFNLIDTGG-----PFLAQIRQQAEIAMDEADVIIFMVNGREGVTAADEEVAKIL-YRTKKPVVLAVNKL----MRANIYDFYSLGFGEPYPISGTHGLGLGDLLDAVA------EHF-----KNIPETKY--------NEEV--------------IQFCLIGRPNVGKSSLVNAMLGEERVIVSN------DAVDTSFTYNQQEFVIVDTAGMRKKGKVYETTEKYSVLRALKAIDRSEVVAVVLDGEEGIIEQDKRIAGYAHEAGKAVVIVVNKWDAVDKDE-STMKEFEENIRDHFQFLDYAPILFMSALTKKRIHTLMPAIIKASENHSLRVQTNVLNDVIMDAVAMNPTPTHNGSRLKIYYATQVSVKPPSFVVFVNDPELMHFSYERFLENRIRDAFGFEGTPIKIFARAR------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4DCS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -244334 for 3116 contacts (-78.4/contact) +
2D Compatibility (PS) -43799 + (NN) -18520 + (LL) 2712
1D Compatibility (HY) -28800 + (ID) 7250
Total energy: -339991.0 ( -109.11 by residue)
QMean score : 0.566
|
|
|