Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | --MQVKTPTINPKFEKKNNLALIESIDLDFIPYACHYDEETILTKQGELLKIIKLEDYSSADNYSDLRTEIRKSISKNIDSLYFTVWIHTVRKRNKLSLKWNKTGDFSDKLHSTWLDKLTNSKLRYINELYIVILVSDFNKHSNNSFFFGGIRNKHKLSLQENHQELQRVTDLIQSDLEPFGAKKLALRFNGDKVYSEMIEFLHYIVTLTHKDHPICERDLSQYIKNLKIAFGFNTFQTIFENQQKFGSVFCIKEYR-----EIPLGNIDRCLQLDSELIITEIIIFTSNNKAMKEFKKQINMLQVSEDNTLLRNSEIKEIIELE-GTSTIDFCQQKIIFTIFADDRNRLAENISSLSSVMSLIGLMMFRTDLHMENHFWAQLPGNFAFVTQPKNILAKYACSFAMLHDFTS--GTLKGGRWKEAVTVFFSKKGSPYFFNFHGKKNNGHTTILGAPNSGRTSLINFLLSESRKFNPRIIILDNTGKSIIFTKAVSGKYYIIDPKYKNKSLKFNPLNIEDSASNRSMLVELIKRMVADTSLVGIKEKIKKVVDSIFAIPRESRSISRISEMLLLLKGKISKWCGDGEFAYLFQDSDESDIDWKIKTISLNTANLTKHKECMSVILYYFLYSFEAQCDGSPAILVLDEAWEISSIFPTEEGFDNWMQRMTE------LNVVVILST-----ENLNLAFASEFTQYLDKHVDTRILM-PNFNANRLYMKAFSLSKEELNIILQTPTQEGLFLIKQYKGLVTLNLDLKNIQEIHVLSANRETIKYMYEAIKEKGEEVNKWLPVFYGKCKT |
| 4NL4 Chain:H ((18-747)) | SVAHVALPVPLPR-----------TFDYLLPEGMAVKAGCRVRVPFGKQERIGIVAAVSER---SELPLDELKPVAEALDDE--PVFSTTVWRLLMWAAEYYHH-PIGDVLFHALPVMLRQGKPASATPLWYWFATEQGQVVDLNG-------------LKRSRKQQQALAALRQGKIWRHQVGEL--EFN-EAALQALRGKGLAELACEATDWR---SAYSVAGERLRLNTEQATAVGAIHSAADRFSAWLLAGITGSGKTEVYLSVLENVLAQGRQALVM-VPEIGLTPQTIARFRQRFNAPVEVLHSGLNDSERLSAWLKAKNGEAAIVIGTRSSLFTPFKD------------------LGVIVIDEEH---DSSYKQQEGWRYHARDLAVWRAHSEQIPIILGSATPALETLHNVRQGKYRQLTLSKPAQQHVLDLKGQPLQAGLS---------PALISRMRQHLQADNQVILFLNRRGFAPALLCHDCGWIAECPRCDSYYTLHQAQHHLRCHHCDSQRPIPRQCPSCGSTHLVPVGIGTEQLEQALAPLFPE-VPISRI-------------------------DRHLAAVHRGGARILIGTQMLAKGHHFPDVTLVSLL--------------DVDGAL-FSADFRSAERFAQLYTQVSGRAGRAGKQGEVILQTHHPEHPLLQTLLYKGYDAFAEQALAERQTMQLPPWTSHVLIRAEDHNNQQAPLFLQQLRNLLQASPLADEKLWVLGPVPALRWQILLQHPSRVRLQHIVSGTLALINTLPEAWVLDVDPIEG |
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General information:
TITO was launched using:
| RESULT:
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Template: 4NL4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -190888 for 5318 contacts (-35.9/contact) +
2D Compatibility (PS) -71044 + (NN) -8316 + (LL) 6480
1D Compatibility (HY) -12800 + (ID) 5000
Total energy: -281568.0 ( -52.95 by residue)
QMean score : 0.280
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