Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKSYKFLKEVLHRLKNIENTLKV------LDQSQLNVEDKVEQMGLLEEIRHEIISHNIIKESLAEAGTPSNKK----KGDSWQ---LKLIERMHKSNSAIPIDLVKSLSKVKIECQNLRRLSQSEPSSLEKLKERFADLVKLIRGVVSIKSQ---QLK----CSKYDSLLADYDSDITEKDVKEIFPKLGKFFSDNIDRIIEKQKKD-KITNTQKIATQKQIELGSLCLQQIGVTSH--------HT--------FYHHPIDYDESDFCYGLFLLLRYSGHEIYQRCLAQNSISSSF---TRYIMCETQGLFMERMIGTSREFIEFIQPYIKEKLTIKGKVNAKINSVENLYLIFNKVNLSSPLKKADEFSLLANIMLRTKLEQDIINGTLEVKDLHDAWLEGMEHYKIPVKAKNELDTYFQDEYWVSGTMGYFPIKIIALIIAVQIFSFIKKNHYEFLGAIIKGDFGLLIGWLSQNVCS--AKCGFLDLLKKVTGKGLDVECCSSYLSEKYDLSQ |
3HOA Chain:A ((4-508)) | EAAYQNLLEFQRETAYLASLGALAAWDQRTMIPKKGHEHRARQMAALARLLHQRMTDPRIGEWLEK----VEGSPLVQDPLSDAAVNVREWRQAYERARAIPERLAVELAQAESEAESFWEEARPRD-DWRGFLPYLKRVYALTKEKAEVLFALPPAPGDPPYGELYDALLDGYEPGMRARELLPLFAELKEGLKGLLDRILGSGKRPDTSILHRPYPVEAQRRFALELLSACGYDLEAGRLDPTAHPFEIAIGPGDVRITTRYYEDFFNAGIFGTLHEMGHALYEQGLPKEHWGTPRGDAVSLGVHESQSRTWENLVGRSLGFWERFFPRAREVFASLGDV-----SLEDFHFAVNAVEPSLIRVEADEVTYNLHILVRLELELALFRGELSPEDLPEAWAEKYRDHLG-VAPKDYKDGVMQDVHWAGGLFGYFPTYTLGNLYAAQFFQKAEAELGPLEPRFARGEFQPFLDWTRARIHAEGSRFRPRVLVERVTGEAPSARPFLAYLEKKYAALY |
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General information:
TITO was launched using:
| RESULT:
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Template: 3HOA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -246763 for 3652 contacts (-67.6/contact) +
2D Compatibility (PS) -49316 + (NN) -18251 + (LL) -32
1D Compatibility (HY) -12000 + (ID) 4950
Total energy: -331312.0 ( -90.72 by residue)
QMean score : 0.514
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