Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSVHATDAKPPGPSPADQLLDGLNPQQRQAVVHEGSPLLIVAGAGSGKTAVLTRRIAYLMAARGVGVGQILAITFTNKAAAEMRERVVGLVGEK-ARYMWVSTFHSTCVRILRNQAALIEGLNSNFSIYDADDSRRLLQMVGRDLGLDIKRYSPRLLANAISNLKNELIDPHQALAGLTEDSDDLARAVASVYDEYQRRLRAANALDFDDLIGETVAVLQAFPQIAQYYRRRFRHVLVDEYQDTNHAQYVLVRELVGRDSNDGIPPGELCVVGDADQSIYAFRGATIRNIEDFERDYPDTRTILLEQNYRSTQNILSAANSVIARNAGRREKRLWTDAGAGELIVGYVADNEHDEARFVAEEIDALAEGSEITYNDVAVFYRTNNSSRSLEEVLIRAGIPYKVVGGVRFYERKEIRDIVAYLRVLDNPGDAVSLRRILNTPRRGIGDRAEACVAVYAENTGVGFGDALVAAAQGKVPMLNTRAEKAIAGFVEMFDELRGRLDDDLGELVEAVLERTGYRREL-EASTDPQEL-ARLDNLNELVSVAHEFSTDRENAAALGPDDEDVPDTGV-----LADFLERVSLVADADEIPEHGAGVVTLMTLHTAKGLEFPVVFVTGWEDGMFPHMRALDNPTELSEERRLAYVGITRARQRLYVSRAIVRSSWGQPMLNPE-SRFLREIPQELIDWRRTAPKPSFSAPVSGAGRFGSARPSPTRSGASRRPLLVLQVGDRVTHDKYGLGRVEEVSGVGESAMSLIDFGSSGRVKLMHNHAPVTKL |
1UAA Chain:B ((3-642)) | ----------------------LNPGQQQAVEFVTGPCLVLAGAGSGKTRVITNKIAHLIRGCGYQARHIAAVTFTNKAAREMKERVGQTLGRKEARGLMISTFHTLGLDIIKREYAAL-GMKANFSLFDDTDQLALLKELTEGLIEDDKVLLQQLIS-TISNWKNDLKTPSQAAASAIGERD---RIFAHCYGLYDAHLKACNVLDFDDLILLPTLLLQANEEVRKRWQNKIRYLLVDEYQDTNTSQYELVKLLVGSRAR-------FTVVGDDDQSIYSWRGARPQNLVLLSQDFPALKVIKLEQNYRSSGRILKAANILIANNPHVFEKRLFSELGYGAELKVLSANNEEHEAERVTGELIAHHFVNKTQYKDYAILYRGNHQSRVFEKFLMQNRIPYKISGGTSFFSRPEIKDLLAYLRVLTNPDDDSAFLRIVNTPKREIGPATLKKLGEWAMTRNKSMFTA--SFDMGLSQTLSGRGYEALTRFTHWLAEIQRLAEREPIAAVRDLIHGMDYESWLYETSPSPKAAEMRMKNVNQLFSWMTEMLEGSEL-------DEPMTLTQVVTRFTLRD--------EELDQ--------VQLMTLHASKGLEFPYVYMVGMEEGFLPHQSSIDEDN-IDEERRLAYVGITRAQKELTFTLCKERRQYGE-LVRPEPSRFLLELPQDDLIWEQ--------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1UAA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -264020 for 5184 contacts (-50.9/contact) +
2D Compatibility (PS) -67292 + (NN) -23744 + (LL) 5340
1D Compatibility (HY) -46400 + (ID) 13000
Total energy: -409116.0 ( -78.92 by residue)
QMean score : 0.489
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