Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPASELKASEIPFHPSIKTQDPKAEEKSPKKQKVTLTAAEALKLFKNQLSPYEQSEILGYAELWFLGLEAKKLDTAPEKFSKTSFDDEHGFYLKVLHDHIAYRYEVLETIGKGSFGQVAKCLDHKNNELVALKIIRNKKRFHQQALMELKILEALRKKDKDNTYNVVHMKDFFYFRNHFCITFELLGINLYELMKNNNFQGFSLSIVRRFTLSVLKCLQMLSVEKIIHCDLKPENIVLYQKGQASVKVIDFGSSCYEHQKVYTYIQSRFYRSPEVILGHPYDVAIDMWSLGCITAELYTGYPLFPGENEVEQLACIMEVLGLPPAGFIQTASRRQTFFDSKGFPKNITNNRGKKRYPDSKDLTMVLKTYDTSFLDFLRRCLVWEPSLRMTPDQALKHAWIHQSRNLKPQPRPQTLRKSNSFFPSETRKDKVQGCHHSSRKADEITKETTEKTKDSPTKHVQHSGDQQDCLQHGADTVQLPQLVDAPKKSEAAVGAEVSMTSPGQSKNFSLKNTNVLPPIV |
4BGQ Chain:A ((12-302)) | -----------------------------------------------------------------------------------------------------NKFEILGVVGEGAYGVVLKCRHKETHEIVAIKKFK----VKETTLRELKMLRTLK------QENIVELKEAFRRRGKLYLVFEYVEKNMLELLEEMP-NGVPPEKVKSYIYQLIKAIHWCHKNDIVHRDIKPENLLISHND--VLKLCDFGFARNLSE-------TRWYRSPELLLGAPYGKSVDMWSVGCILGELSDGQPLFPGESEIDQLFTIQKVLGPLPSEQMKLFYSNP-RFHGLRFPAVN--------HPQSLE-RRYLGILNSVLLDLMKNLLKLDPADRYLTEQCLNHPTFQTQRL------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BGQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -203108 for 2102 contacts (-96.6/contact) +
2D Compatibility (PS) -29578 + (NN) -12369 + (LL) 13388
1D Compatibility (HY) -22000 + (ID) 4550
Total energy: -258217.0 ( -122.84 by residue)
QMean score : 0.452
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