Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKISRKEYVSMYGPTTGDKVRLGDTDLIAEVEHDYTIYGEELKFGGGKTLREGMSQSNNPSKEELDLIITNALIVDYT-G-IYKADIGIKDGKIAGIGKGGNKDMQDGVKNNLSVGPATEALAGEGLIVTAGGIDTHIHFISPQ--------------------QIPTAFASGVTTMIGGGTGPADGTNATTITPGRRNLKWMLRAAEEYSMNLGFL----------------AK-------GNASNDASLADQ----IEAGAIGFKIHEDW------------GTTPSAINHALDVADKYDVQVAIHTDTLNEAGCVEDTMAAIAGRTMHTFHTEGAGGGHAPDIIKVAGEHNILPASTNPTIPFTVNTEAEHMDMLMVCHHLDKSIKEDVQFADSRIRPQTIAAEDTLHDMGIFSITSSDSQAMGRVGEVITRTWQTADKNKKEFGRLKEEKGDNDNFRIKRYLSKYTINPAIAHGISEYVGSVEVGKVADLVLWSPAFFG-----VKPNMIIKGGFIALSQMGDANASIPTPQPVYYREMFAHHGKAKYDANITFVSQAAYDKGIKEELGLERQVLPVKNCRNITKKDMQFNDTTAHIEVNPETYHVFVDGKEVTSKPANKVSLAQLFSIF |
3BE7 Chain:A ((5-401)) | ----------------------------------------------------------------SEDFLIKSKGYLDIQTGEIIKADLLIRNGKIAEIGKINT--------------KDATVISIPDLILIPGLMDSHVHIVGNDSKGEESIADSSHMGTVWGVVNAEKTLMAGFTTVRNVGAANYADV----------SVRDAIERGVINGPTMLVSGPALGITGGHCDHNLLPPEFNYSSEGVVDSPWEARKMVRKNRKYGADLIKFCATGGVMSRNTDVNAKQFTLEEMKAIVDEAHNHGMKVAAHAHGLI---GIKAAIKAGVDSVEHASFI-------DDETIDMAIKNNTVLS-MDIFVSD--YILGEG-----AKAGIREE---SLNKERLVGKKQRENFMNAH-RRGAIITFGTDAGIFDH-----GDNAKQFAYMV-EWG-----------MTPLEAIQASTIKTATLFGIE-NIGQIKEGFDADIVGVIENPLANIRTLEEVAFVMKEGKVYKREG------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3BE7.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -138318 for 2844 contacts (-48.6/contact) +
2D Compatibility (PS) -34785 + (NN) 228 + (LL) 12320
1D Compatibility (HY) -5600 + (ID) 3000
Total energy: -169155.0 ( -59.48 by residue)
QMean score : 0.378
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