Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLEKLLSAIKQKVSNYFLGVLPKSYSMSEENNILGLYDEHFLLTKNENLVGILRLEGVSYTHLSTEQLQDLFTERQMALDSLEKVVARLVVKRRKIDYKQSIQSDSQYLQAILNQFENKEVYENQYFLVLESTHSLHGVLEHKKKSFMHANRENFKDILSYKAHFLQETLKSLEIQLKNYAPKLLNSKEVLNFYAEYINGFELPLKPLVGGYLSDSYIASSITFEKDYFIQESFNQKTYNRLIGIKAYESERITSIAVGALLYQETPLDIIFSIEPMSVNKTLSFLKERAKFSMSNLVKNELLEYQELVKTKRLSMQKFALNVLIKAPSLEDLDAQTSLILGLLFKENLVGVIETFGLKGGYFSFFPERIHLNHRLRFLTSKALACLMVFERQNLGFKANSWGNSPLSVFKNLDYSPFLFNFHNQEVSHNNAKEIARVNGHTLVIGATGSGKST--LISYLMMSALKYQNMRLLAFDRMQGLYSFTEFFKGHYHDGQSFSINPFCLEPNLQNLEFLQSFFLSMLDLAPSRDKEALEDMNAISGAIKSLYETLYPKDFSLLDFKETLKRTSSNQLGLSLEPYLNNPLFNALNDAFNSNAFLNVINLDAITQNPKDLGLLAYYLFYKILEESRKNDSGFLVFLDEFKSYVENDLLNTKINALITQARKANGVVVLALQDIYQLSGVKNAHSFLSNMGTLILYPQKNARELKHNFNVPLSETEISFLEN--TPLYARQVLVKNLGNGSSNMIDVSLEGLGCYLKIFNSDSSHVNKVKALQKDYPTEWREKLLKS-------------- |
2OCE Chain:A ((2-730)) | --DSINTRIAEELSALPSGRVQPQQVAAAVALLDEGSTVPFIARYRKEVTGSLDDTQLRMLEERLRYLRELEERRGAILASIEEQGKLTPELARDIKLADT----KTRLEDLYLPYKQKRRTKGQIALE-AGLGALADALFDDPTLVPESEAARFVD----AEKGFADVKAVLEGAKYILMERFAEDATLLDKLRVFMKN-----EATLTARVVPGKEQEGAKFSDYFEHDEPLKSAPSHRALAIFRGRNEGV----------------LSASLKV-GEEAPGTLHPCEVMIAERFGLSNQGRAADKWLAEVVRWTWKVKLYTHLETDLFGELRDGAEDEAISVFARNLHDLLLAAPAGPRATLGLDPGLRTGVKVAVV------------------------DATGKLLDTATVYPHAPKNQWDQTLAVLAALCAKHQVELIAIGNGTASRETDKLAGELIKKYPGMKLTKIMVSEAGASVYSASELAAKEFPELDVSLRGAVSIARRLQD-PLAELVKIEPKSIGVGQYQHDV-SQLKLARSLDAVVEDCVNA--VGVDVNTASAALLARISGLNSTLAQNIVAHRDANGAFRTRDELKKVSRLGEKTFEQAAGFLRVMNGDNPLDASAVHPETYPLVQRIAAD------TERDIRSLIGDSAFLKR---------LDPKKFTDETFGLPTVTDILKELDKPGRDPRPEFKTAEFQEGVESLKDLKPGMVLEGVVTNVTNFGAFVDIGVHQDGLVHISALSEKFVKDPYEVVKAGDIVKVKVMEVDIPRNRVGLSMRMSDTPG |
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General information:
TITO was launched using:
| RESULT:
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Template: 2OCE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -29669 for 5567 contacts (-5.3/contact) +
2D Compatibility (PS) -72745 + (NN) -3570 + (LL) 6940
1D Compatibility (HY) -400 + (ID) 4000
Total energy: -103444.0 ( -18.58 by residue)
QMean score : 0.170
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