Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDYIDIIKSRLLLSDIVGKKVRLTKRGDSFVGFCPFHSEKTPSFLVSNTKGSYHCFGCSAHGDVFNFISQTEGLSFKEALERLASVVGVELPKTLNLAKENGELFSTLNLAASWFVQ---KNQGIIAYLKQRKISPKIIDKFKVGYAPSS-GLKEYLNSLGIEDKILIDVGLINK---NSRDYFCNRLIFPIYNIAGKVIGFGGRALSSKQQPKYLNSPESQLFKKRENLYGLNFALSEIHKKQHVFVVEGYMDVIALHQTGISNIVAPLGTAISAEQIKSLWKFAKEISICMDGDSAGRNAAIRVAELVLPILEPGYTLKFVTLPTDKDPYDVCNELEHKKETVLSALDHSTKLHSEYLWHYIIGSNLQNYEKLAPEKYSILERKFMEYVNAIGNSSIRRYYRDYFYDKASELRNSFKKQVFNNKTRATKSEYLYNKSPELIEAEQNQAIILRITLEFPEILNHPIYFEQFSHFEFTNVKIKRLQQHIINVANNGSELNKEVLLQELEQFNVDGTIKLIFEKTSILNSQLNNGKSAKTVWNNIVLRGELNVLQRERIEARLGGDFGLEERLIEQIEQIESNIREMQMEFIQK |
2AU3 Chain:A ((4-405)) | SSDIDELRREIDIVDVISEYLNLEKVGSNYRTNCPFHPDDTPSFYVSPSKQIFKCFGCGVGGDAIKFVSLYEDISYFEAALELAKRYGKKLDLEKI--SKDEKVYVALDRVCDFYRESLLKNREASEYVKSRGIDPKVARKFDLGYAPSSEALVKVLKENDLLEAYLETKNLLSPTKGVYRDLFLRRVVIPIKDPRGRVIGFGGRRIVEDKSPKYINSPDSRVFKKGENLFGLYEAKEYIKEEGFAILVEGYFDLLRLFSEGIRNVVAPLGTALTQNQANLLSKFTKKVYILYDGDDAGRKAMKSAIPLLL---SAGVEVYPVYLPEGYDPDEFIKEFGKE--ELRRLINSSGEL-FETLIKTAREN----LE--------EKTREFRYYLGFISDGVRRFALASEFHTKYKVPMEILLMKI--------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2AU3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -219047 for 3243 contacts (-67.5/contact) +
2D Compatibility (PS) -42077 + (NN) -17091 + (LL) 15592
1D Compatibility (HY) -26000 + (ID) 6750
Total energy: -295373.0 ( -91.08 by residue)
QMean score : 0.553
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