Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSILEVKNLSHGFGDRAIFENVSFRLLKGEHIGLIGANGEGKSTFMSIVTGHLQPDEGKI----EWSKYVTAGYLDQHTVLEKGQTVRDVLRTAFDELFKTEARINDIYISMADDGADVDSLMEEVGELQDRLESRDFYTLDAKIDEVARALGVMDFG--MDSDVTELSGGQRTKVLLAKLLLEKPDILLLDEPTNYLDAE---HIDWLKRYLQNYENAFVLISHDIP---FLNDVINIVYHVENQDLVRYSGDYTNFESVYAMKKAQLEAAYERQQKEIADLQDFVNRNKARVATRNMAMSRQKKLDKMDIIELQAEKPKPSFEFKE-SRTPGRFIFQAKDLQIGYDRALTKPLNLTFERNQKIAIVGANGIGKTTLLKSLLGIIPPISG-NVERGDFIDLGYFEQEV----PGGNRQTPLEAVWDAFPALNQAEVRAALARCGLTSKHIESQIQVLSGGEQSKVRFCLLMNRENNVLVLDEPTNHLDVDAKDELKRALKAYKGSILMVCHEPDFYEGWMDDVWDFNQLS |
| 3J16 Chain:B ((103-513)) | ----------------------------GQVLGLVGTNGIGKSTALKILAGKQKPNLGRFDDPPEWQEIIK--YF-------RGSELQNYFTKMLEDDIK--AIIKPQYVDNIPRA--IKGPVQKVGEL---LKLR----MEKSPEDVKRYIKILQLENVLKRDIEKLSGGELQRFAIGMSCVQEADVYMFDEPSSYLDVKQRLNAAQIIRSLLAPTKYVICVEHDLSVLDYLSDFVCIIYGV---------------PSVYGV--VTLPASV-REGINIF-LDGHIPAENLRFRTEALQFRIADATE-----DLQNDSASRAFSYPSLKKTQGDFVLNVEEGE--------------FSDSEILVMMGENGTGKTTLIKLLAGALKPDEGQDIPK---LNVSMKPQKIAPKFPGTVRQLFFKKIRGQF--LN-PQFQTDVVKPLRIDDIIDQEVQHLSGGELQRVAIVLALGIPADIYLIDEPSAYLDSEQRIICSKVIRRFILHNKKTAFIVEHDFIMATYLADKVIVF |
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General information:
TITO was launched using:
| RESULT:
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Template: 3J16.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -90318 for 2869 contacts (-31.5/contact) +
2D Compatibility (PS) -41787 + (NN) -15681 + (LL) 5396
1D Compatibility (HY) -33600 + (ID) 5150
Total energy: -181140.0 ( -63.14 by residue)
QMean score : 0.265
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