Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLFSKLFAPTLKEPPKDAVLKSPKHPGKA-GYIYQ--IGSGIYNFLPLAKKVLDKIENVTHKRMQEHGAQNILMSFVVLASLWE-KSGRLDKYGKELLVFKDR----KDNDFVLSPTLEENITEIAANFIKSYKQLPVHLYQIHTKFRDEIRPRFGLVRAREFIMKDGYSFHEDAESLDKEFLNTQSAYKEILS-DLGLDFRIVEADSGAIGGSKSREFVVLTECGEDTIVVCQNCDYAANIEIAKRSKRTEPLMSPSALAKFPTPNTTSAPSVAEFFKTEPYFVLKALVNKVIHKDKETLACFFVRGDDNLEETKALNTLNLLGANALELREANEEDLNKAGLIAGFIGPYGLKKHVCYIIFDEDLKEGDCLIVGANEKDFHAVGVDLKGFENLVYADIVQVKESDCCPNCQGALKYHKSLEVGHIFKLGQSYAKSLKASFLDKNGKERFFEMGCYGIGISRLLSVILEQKSDDLGCVWTKNTAPFDVVIVVSNLKDE-------AQKKLAFEVYERLLQ-KGVDALLDDR-DARFGAKMRDFELIGERLALIVGKQTLESKEFECIKRANLE--KQTIKDIELEEKILEMLASE |
3IAL Chain:A ((26-399)) | --------------------DWFDAIMDAAELVDRRYPVKGCVVFRPYGFFMENAIMRLCEEEYAKVGISQILFPTVIPESFLKKESDHIKGFEAECFWVEKGGLQPLEERLALRPTSETAIYSMFSKWVRSYKDLPLKIHQTCTIFRHETKNTKPLIRVREIHWNEAHCCHATAEDAVSQLSDYWKVIDTIFSDELCFKGQKLRR-------------------------VC-----------------------WDR------------------------------------------------------------FP------------------------GADYSEV-----SDVVM-----------------------------------------------P-C------GRVLQTAGIHNLGQRFSSTFDILYANKANESVHPYLTCAGIS-TRVLACALSIHGDSGGLVLPPLIAPIHVVIIPIGCGKKNNQESDQQVLGKVNEIADTLKSKLGLRVSIDDDFSKSMGDKLYYYELKGVPLRIEVGQRDLANGQCIVVPRDVGKDQKRVIPITEVMKVSVVKNVIK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3IAL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -157329 for 2851 contacts (-55.2/contact) +
2D Compatibility (PS) -38119 + (NN) -8110 + (LL) 13672
1D Compatibility (HY) -21200 + (ID) 3950
Total energy: -215036.0 ( -75.42 by residue)
QMean score : 0.483
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