Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIPRYSRKEISAIWEENNKFNIWLKIERLACEAQAKLGVIPSNVAKRLSGAITFDVERINEIESTVKHDVIAFLTYIAEKVGVDVRYLHYGMTSSDVLDTCFAVQLKESCNILLENLKNLLAALKKKAEDYKGTICVGRSHGMHAEPTTLGLKFTRFYAEFKRSYQRLINAQKEISICKISGAVGNFANVDPFVEEYVAKGMELVPETISSQVIPRDRHAMFFSVLGVIASSMENVAVEIRHLQRTEIAEIAEYFSTGQKGSSAMPHKCNPILSENLTGLSRLIRSYVSPALENVVLWHERDISHSSVERCIAPDACILMDFALVRLTDLIDKLAINKENIEKNLNSSKGLIFSQRILLELVNSGLTREEAYKIIQGNAMKVKQNNSDFLFELKQDRSLLEVINSEKLESLFDLKYYTKYVDHIYKKVFD |
1C3U Chain:B ((2-427)) | -VERYSLSPMKDLWTEEAKYRRWLEVELAVTRAYEELGMIPKGVTERIRNNAKIDVELFKKIEEKTNHDVVAFVEGIGSMIGEDSRFFHYGLTSSDVLDTANSLALVEAGKILLESLKEFCDVLWEVANRYKHTPTIGRTHGVHAEPTSFGLKVLGWYSEMKRNVQRLERAIEEVSYGKISGAVGNYANVPPEVEEKALSYLGLKPEPVSTQVVPRDRHAFYLSTLAIVAAGIERIAVEIRHLQRTEVLEVEEPFR------SAMPHKKNPITCERLTGLSRMMRAYVDPSLENIALWHERDISHSSVERYVFPDATQTLYYMIVTATNVVRNMKVNEERMKKNIDLTKGLVFSQRVLLKLIEKGLTRKEAYDIVQRNALKTWNSEKHFLEYLLEDEEVKKLVTKEELEELFDISYYLKHVDHIFERFEK |
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General information:
TITO was launched using:
| RESULT:
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Template: 1C3U.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -237318 for 3429 contacts (-69.2/contact) +
2D Compatibility (PS) -44728 + (NN) -17529 + (LL) 72
1D Compatibility (HY) -39200 + (ID) 10300
Total energy: -349003.0 ( -101.78 by residue)
QMean score : 0.518
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