Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTEYTPMIKQYLEIKDKYQDAFLFFRLGDFYEMFFEDALNASQILEITLTGREGGTKEKIPMCGVPYHSASGYIDTLIEKGYKVAICEQVEDPKTTKGMVKREVVQLISPGTVMDERGLKAKENNYIASLYCYEGKEYGFAYSDLSTGELKSTVIEASEDRLINELTTLSTRELIVSS--SEKEVLS---------------DVMKEQLGLTFSVHEEDTIPAENEKLVTRHMSLSEKRAIGKLLHYLKETQKRDLGHLQQAVHYETSNYMKMDYYSKRNLELAESIRGKGRQGTLLWLLDNTQTAMGGRMLKQWIDRPLIDRKKIIERQNDVSELMAHFFERLELVENLKNVYDLERLAGRVAYGNVNARDLIQLRNSLYQIPRIRATLLSMSSESLTELAEQLDPCEELTEKLEEAIMDSAPISIREGGIIKDGYNSQLDTYRDASRNGKTWIAELERKERELTGIKTLKVGFNRVFGYYIEVTRANTHLLPEGRYERKQTLTNAERYITPELKEKEKLILDAEEKSMELEYQLFSEVREMVKDYIERLQKLAKSVSEIDCLQSFADISEKNHFIRPTLSEDGSLHVKQGRHPVVEKVMGAQSYVANDCDLDENREILLITGPNMSGKSTYMRQVALTAICAQVGCFVPAEEAILPIFDQIFTRIGAADDLIAGQSTFMVEMLEARNAIVHATKDSLILFDEIGRGTATYDGMALAQAIIEYIHENVHAKTLFSTHYHELTDLEKELRGLQNIHVSAVEENGKVVFLHKIKEGPADKSYGIHVAELAELPKSLIERASRILEQLENDDKKIIIASVKQPEEVHEEVQLSMFPLEPEKKASSKETKLLKEIASMNIMQMTPMDAMNKLYELQSKIH |
1E3M Chain:A ((10-798)) | ---HTPMMQQYLRLKAQHPEILLFYRMGDFYELFYDDAKRASQLLDISLTKRGASAGEPIPMAGIPYHAVENYLAKLVNQGESVAICEQIGDPATSKGPVERKVVRIVTPGTISDEALLQERQDNLLAAIW-QDSKGFGYATLDISSGRFRLSE-PADRETMAAELQRTNPAELLYAEDFAEMSLIEGRRGLRRRPLWEFEIDTARQQLNLQFGTRDLVGFGVEN---APRGLC-----AAGCLLQYAKDTQRTTLPHIRSITMEREQDSIIMDAATRRNLEITQNLAG-GAENTLASVLDCTVTPMGSRMLKRWLHMPVRDTRVLLERQQTIGALQ-DFTAGLQPV--LRQVGDLERILARLALRTARPRDLARMRHAFQQLPELRAQLETVDSAPVQALREKMGEFAELRDLLERAIIDTPPVLVRDGGVIASGYNEELDEWRALADGATDYLERLEVRERERTGLDTLKVGFNAVHGYYIQISRGQSHLAPIN-YMRRQTLKNAERYIIPELKEYEDKVLTSKGKALALEKQLYEELFDLLLPHLEALQQSASALAELDVLVNLAERAYTLNYTCPTFIDKPGIRITEGRHPVVEQVLN-EPFIANPLNLSPQRRMLIITGPNMGGKSTYMRQTALIALMAYIGSYVPAQKVEIGPIDRIFTRVG-----------FMVEMTETANILHNATEYSLVLMDEIGRGTSTYDGLSLAWACAENLANKIKALTLFATHYFELTQLPEKMEGVANVHLDALEHGDTIAFMHSVQDGAASKSYGLAVAALAGVPKEVIKRARQKLRELES--------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1E3M.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -335520 for 6293 contacts (-53.3/contact) +
2D Compatibility (PS) -81667 + (NN) -21527 + (LL) 8528
1D Compatibility (HY) -64800 + (ID) 15950
Total energy: -510936.0 ( -81.19 by residue)
QMean score : 0.487
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