Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRKVRISVRRLVEFVRRSGSIDNRMTSSDRALEGTKIHQLLQKEAGEEYAAEVRLNLDRIVDGIAFSLDGRADGIINGRMIDEIKTTETPMDEITENFRPLHWAQLICYGFMLAEKSDLAEVTLQLTYYQVVDKEVKQFQRVMSREELSVFVDDLLSQYAIWAKASAAWEMKRNKTIQELTFPYDSYRSGQRELAIAVYRTISSEESLFCEAPTGIGKTMSTLFPGIKAMGEGKTDKLFYFTAKTITRQVAEDALDEMRRKGLAARSVTITAKDKICFLDERKCEPDHCQFARGYYDRLNEALFDMLQSEEAITRQVVESYARKYTLCPFELSLDVALFCDVIVCDYNYLFDPVVYLKRFFAEGPGKYTFLVDEVHNLVDRARSMYSATLKKSAVMQVKRGLDAKNNKRLLNAINVMNKDMIALNKKLKDLDGTIYVQKNELIDWNESVLKFTFVAKEWLPQNTQSEIQADVLELYFESLRYVAIADFYDDRYVTQVTKSHGDLEIKQVCLDPSFLLSERLKLGSSSVLFSATLRPIDYYTNLLGGQEDTSRMIFSSPFKQKNMHLLVADYISTKYQMRENSMEAVVDALYALVSGENGNYLFFFPSFLYLQKVYDLFKEKYPNIRLQKQETAMDEERREHFLERFQAENVETLIGFCVLGGVFSEGVDLRGNRLVGAAVVGVGLAQLNHESDLIKDYYNETIGRGFDYAYQIPGMNKVLQAVGRVIRGESDRGVVLLIEERFSADRYRALFPTHWNHAKTVKSTDDISREVAGFWRNS |
2OCA Chain:A ((346-455)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KDENAFVMFKHVSHGKAIFDLIKNEYD--KVYYVSGEVDTETR-NIMKTLAEN-GKGIIIVAS-YGVFSTGISVKN--LHHVVLAHGVKS-----------------------------KIIVLQTIGRVLRKHGSKTIATVWDLI------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2OCA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -68678 for 782 contacts (-87.8/contact) +
2D Compatibility (PS) -11698 + (NN) -5371 + (LL) 51148
1D Compatibility (HY) -7200 + (ID) 1150
Total energy: -42949.0 ( -54.92 by residue)
QMean score : 0.515
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