Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ----MLTLFTHINSFVWGPPLLALLVGTGIYLSFRLGFIQLRQLSRAFKLIFREDNGQGDISSYAALATALAATVGTGNIVGVATAIKSGGPGALFWMWVAAFFGMATKYAEGLLAIKYRTKDTNGEISGGPMYYIVNGMG--QKWKPLAVFFSAAGILVALLGIGTFTQVNAIASA-LEHTFKISTRFTSLILAV-----------IVLFIIFGGIKSISKVSEKIVPF-----MAISYILATLIIIAVNYNKI-PHTFQLIFSGAFSGTAAIGGFSGAIVKEAIQKGIA------------RGVFSNESGLGSAPIAAAAAKTKEPVEQGLI-----SMTGTFIDTI---VICTLT------GIAILVTGKWL---EFDLQGAPLTQASFNTVFG-SLGSFALTFCLVLFAFTTILGWSYYGERCFEYLFGTKFINAYRIIFVIMVGLGGFLQLDLIWVIADIVNGLMALPNLIALLVLSPIIVKETQKYFSETKNITKP-------- |
2P4E Chain:A ((153-682)) | SIPWNLERITPPRYRAGGSLVEVYLLDTSIQSDHR------EIEGRVMVTDFENVPEEDQASKCDSHGTHLAGVVS-GRDAGVAKGA------SMRSLRVLNCQGKGT-VSGTLIGLEFIRKSQLVQPVGPLVVLLPLAGGYSRVLNAACQRLARAGVVLVTAAGNFRDDACLYSPASAPEVITVGATNAQDQPVTLGTLGTNFGRCVDLFAPGEDIIGASSDCSTCFVSQSGTSQAAAHVAGIAAMMLSAEPELTLAELRQRLIHFSAKDVINEAWFPEDQRVLTPNLVAALPPSTHWQLFCRTVWSAHSGPTRMATAIARCAPDEELLSCSSFSRSGKRRGERMEAQGGKLVCRAHNAFGGEGVYAIARCCLLPQANCSVHTAPPAEASMGTRVHCHQQGHVLTGCSSHWEVEDLGPNQCVGHREASIHASCCHAPGLECKVKEHGIPAPQEQVTVACEEGWTLTGCSALPG--TSHVLGAYAVDNTCVVRSRSEEAVTAVAICCRSR |
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General information:
TITO was launched using:
| RESULT:
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Template: 2P4E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -419184 for 3683 contacts (-113.8/contact) +
2D Compatibility (PS) -45119 + (NN) 5852 + (LL) 512
1D Compatibility (HY) 8400 + (ID) 3300
Total energy: -452839.0 ( -122.95 by residue)
QMean score : 0.132
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