Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVQEYIRLRGARENNLQNISLDIPKRKITIFTGVSGSGKSSIVFETIATESQRQLNETYSAYLRNFLPKYTQPDADSIENLSTSVIIDQKRLGGNSRSTLGTITDINSILRLLFSRVGKPSIGTANLFSFNDPAGMCPDCHGVGQKVSVDLVKLL-DPNKSLKEGAILFPTFSVDSWYWNSYAYSGF-----FDVNKKIKDYTDEEYDMLLHGKDIKVFLE-----TPMGSMNATYEGLIPKFNRLYIQKEGEMSASTKKRVDKFTHIAPCTTCEGTRLSAQALSCKING--------ANIADFTAMQLDELKD-----TIARIDDPIATPMVKSVTERLQHLIDIGLGYMTLDRQTASLSGGESQRVKMIRHLNSSLTDLLYIFDEPSIGLHPRDVHRLNELLVKLRDKGNTILVVEHDPDVIKIADHVVDVGPHAGKHGGEIQFVGSYTDLLKS-DTLTGQFLNRH----LPINSKPRQPKGFLTTEKSSRFNLKNIQANIPKEVLTVITGVAGSGKSTLIHSVFLK----------------------EYPDAIV-IDQSAAHANIRSNPATYTGIMDPIRKAFGKENDV-----SPSLFSYNSKGA-CENCKGLGFTTMDLAFMDSIRTPCEVCHGKRFQDSVLQYKLNGKSISDVLELTVSEALDFFTD-KKILKKIEAMEEVGIGYVTLGQALSTLSGGECQRLKLANELHKKG---SIYIMDEPTTGLHMSDIEHILTIIHTLVNKGNTVIVIEHNVDIIRNADWIIDLGPEGGSAGGQIIFEGAPLDLLENQQSLTAKYL |
3ZQJ Chain:A ((294-970)) | -------------------------------------------------------------------------------------------------------------------------------FSFNSPYGACPECSGLGIRKEVDPELVVPDPDRTLAQGAVA-PWSNGHTAEYFTRMMAGLGEALGFDVDTPWRKLPAKARKAILEGADEQVHVRYRNRYGRTRSYYADFEGVLAFLQRKMSQTESEQ---MKERYEGFMRDVPCPVCAGTRLKPEILAVTLAGESKGEHGAKSIAEVCELSIADCADFLNALTLGPREQAIAGQVLKEIRSRLGFLLDVGLEYLSLSRAAATLSGGEAQRIRLATQIGSGLVGVLYVLDEPSIGLHQRDNRRLIETLTRLRDLGNTLIVVEHDEDTIEHADWIVDIGPGAGEHGGRIVHSGPYDELLRNKDSITGAYLSGRESIEIPAIRRSVDPRRQLTVVGAREHNLRGIDVSFPLGVLTSVTGVSGSGKSTLVNDILAAVLANRLNGARQVPGRHTRVTGLDYLDKLVRVDQSPIGRTPRSNPATYTGVFDKIRTLFAATTEAKVRGYQPGRFSFNVKGGRCEACTGDGTIKIEMNFLPDVYVPCEVCQGARYNRETLEVHYKGKTVSEVLDMSIEEAAEFFEPIAGVHRYLRTLVDVGLGYVRLGQPAPTLSGGEAQRVKLASELQKRSTGRTVYILDEPTTGLHFDDIRKLLNVINGLVDKGNTVIVIEHNLDVIKTSDWIIDLGPEGGAGGGTVVAQGTPEDVAAVPASYTGKFL |
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General information:
TITO was launched using:
| RESULT:
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Template: 3ZQJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -211310 for 4779 contacts (-44.2/contact) +
2D Compatibility (PS) -66051 + (NN) -19042 + (LL) 7820
1D Compatibility (HY) -49600 + (ID) 13100
Total energy: -351283.0 ( -73.51 by residue)
QMean score : 0.357
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