Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLKIAIVGLPNAGKSTLFNRILGRKAAVVSNIPGITRDRQEGVGRISDLELKIIDTGGWNDQTNFFLQIVEQIEFSLFSADIIFFLVDAKVQ-NEQNKEFAKWLKRRTNKSVILIANKCESYKSENIDYLQFFDFIGPVYISAEHNLGMVDLYNALAGVIDSSTNFSSVIPKPLPVIKVAGTGIQEKNEQISTLHAENQSNQPNRLRVAIIGRPNVGKSTFLNSLLSENRLITSSEPGTTRDSVDITYNHNGKLITLIDTAGIRRRANLIDNLELKFVKKSMESIKRSHVVVLMLDSLLGIKQQDLSIGEAAIKGGKGIIIVLNKWDLINKDDRSRLIKFVRQQEITRLFLE-VPTVTISALKGIRCSDVIDKCLEVNEFLNKKISTAKVNKWLVDALGRHPHPFVKGRAIRMKYIAQIGTKPPAFSLTCNVPEGVDESYKRYLTNDLRKNFFIDGIPVRLLLKKNKNPYVK |
4DCV Chain:A ((26-456)) | ---VAIVGRPNVGKSTIFNRIAGERIS-----------RIYSSAEWLNYDFNLIDTGG-----PFLAQIRQQAEIAMDEADVIIFMVNGREGVTAADEEVAKIL-YRTKKPVVLAVNKL--------YDFYSLGFGEPYPISGTHGLGLGDLLDAVA------EHF-----KNIPETKY--------NEEV--------------IQFCLIGRPNVGKSSLVNAMLGEERVIVSN------DAVDTSFTYNQQEFVIVDTAGMRKKGKVYETTEKYSVLRALKAIDRSEVVAVVLDGEEGIIEQDKRIAGYAHEAGKAVVIVVNKWDAVDKDE-STMKEFEENIRDHFQFLDYAPILFMSALTKKRIHTLMPAIIKASENHSLRVQTNVLNDVIMDAVAMNPTPTHNGSRLKIYYATQVSVKPPSFVVFVNDPELMHFSYERFLENRIRDAFGFEGTPIKIFARARK----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4DCV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -251100 for 3061 contacts (-82.0/contact) +
2D Compatibility (PS) -43240 + (NN) -16545 + (LL) 2848
1D Compatibility (HY) -28400 + (ID) 7200
Total energy: -343637.0 ( -112.26 by residue)
QMean score : 0.562
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