Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKSYKFLKEVLHRLKNIENTLKVLDQSQLNVEDKVEQMGLLEEIRHEIISHNIIKESLAEAGTPSNKKKGDSWQLKLIERMHKSNSAIPIDLVKSLSKVKIECQNLRRLS---QSEPSSLEKLKERFADLVKLIRGVVSIKSQQLKCSKYDSLLADYDSDITEKDVKEIFPKLGKFFSDNIDRIIEKQKKDKI--TN-T----------QKIATQKQIELGSLCLQQIGVT---------------------------SHHT----FYHHPIDYDESDFCYGLFLLLRYSGHEIYQRCLAQNSI--SSSFTRYIMCETQGLFMERMIGTSREFIEFIQPYIKEKLTIKGKVNAKINSVENLYLIFNKVNLSSPLKKADEFSLLANIMLRTKLEQDI----INGT-LEVKDLHDAWLEGMEHYKIPVK--AK-NELDTYFQDEYWVSGTMGYFPIKIIALIIAVQIFSFIKKNHYEFLGAIIKGDFGLLIGWLSQNVCS--AKCGFLDLLKKVTGKGLDVECCSSYLSEKYDLSQ |
3CE2 Chain:A ((225-592)) | ------------------------------------------------------------------------------------------------------RKTSYLAQCERYHSY--RHTFANLLNGKIQAHVFYAKNKRYN---SCLQAALYHNN--IPTTVYTNLIDIVKKNS-SLITKYFSIKQRCLNLKDFHFYDVYAPLSQEKKYTFQEAVDLIYTSLSPLGTEYIDTLKQGLTTQGWVDKYENLNKRSGAYSSGCYDSHPYVLLNYT--GTLYDVSVIAHEGGHSMHSYFSRKHQPFHDAQ-YPIFLAEIASTLNEMLLMDS----------MLKESD---S------KEEKITILTRCLD--------TIFSTLFRQVLFASFEYDIHHAAEHGVPLTEEYLSSTYKNLQNEFYG-EIITFDVLSNIEWARIPHFYY-NF-YVYQYATGIIAALCFLEKILNNEDNA-----------LNSYL--NFLKSGGSDFPLEIL-KKSGLDMGTVEPIQKAFCFIEKKI |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CE2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -151061 for 2261 contacts (-66.8/contact) +
2D Compatibility (PS) -32109 + (NN) -9304 + (LL) 10736
1D Compatibility (HY) -4800 + (ID) 2050
Total energy: -188588.0 ( -83.41 by residue)
QMean score : 0.444
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