Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MFEIIKKSIEWGGRTLSLETGKIARQADGSVVVNYGDTSILVTVVRKKKEEIVDFLPLNVQFIAKSYAMGRIPGGFFKREGKPSDRETLISRVIDRSIRPLFLEGFHDEISIVCNLLTYDTVNPPEVPALIGAVAALAISGVPFHFIIAGVLVGCDGNNNYILNPSVQEMKVSSLDLFLSG-DERSILMVESEAKELPEENILNAIKFGHEHLQPVIKLIKEFADTIGNKFDSFAPIDISDIMQDLEKHSKDFEEAYSQTV-----KQERAQTLETIRNNILNPLKEA--GKDEKLITQAVKNFERSLLRKIIREKGTRIDGRKYDEIRQIEVEVDILSRTHGSALFTRGSTQALVVTALGTTQD----EQIVDDIEGDRREHFMLHYNFPSFAVGDASAIRAPGRREIGHGKLAWKAIHPVLPDKSEFPYTIRVVSEIMESDGSSSMATVCGTSLALMDTGVPIKSPVAGIAMGLIKDKN-------DYVILSDILGDEDYLGDMDFKVAGTSEGITALQMDMKISGISFEIVEKSLEQAKAGRLHILEKMNSVISEHSDDVKGHAPRMVSFYIDKDKISAAIGAKGKNIRSVCERSNAKIEIGDDGKVSVFAMSSAEAEIAKNMMIDSITELEQGAIVDVKVVKIDKSIVELELFNGRKGKMHISEVANQHIESIESILKQGDTFKALVIDFEKGGCPKLSRRRVDQETGDFFEGELYNEEKKDSSNDRDYYNSPFNRKSGHRKRPVHSRSSFSNRNNRPKFGNDDSSSSFY |
3U1K Chain:A ((4-627)) | --MASAVAVDLGNRKLEISSGKLARFADGSAVVQSGDTAVMVTAVSKTKPSPSQFMPLVVDYRQKAAAAGRIPTNYLT-----SDKEILTSRIIDRSIRPLFPAGYFYDTQVLCNLLAVDGVNEPDVLAINGASVALSLSDIPWNGPVGAVRIGII-DGEYVVNPTRKEMSSSTLNLVVAGAPKSQIVMLEASAENILQQDFCHAIKVGVKYTQQIIQGIQQLVKETGVTKRTPQKLFTPSPEIVKYTHKLAMERLYAVFTDYEHDKVSRDEAVNKIRLDTEEQLKEKFPEADPYEIIESFNVVAKEVFRSIVLNEYKRCDGRDLTSLRNVSCEVDMFKTLHGSALFQRGQTQVLCTVTFDSLESGIKSDQVITAINGIKDKNFMLHYEFPPYATNEIGKVTGLNRRELGHGALAEKALYPVIPR--DFPFTIRVTSEVLESNGSSSMASACGGSLALMDSGVPISSAVAGVAIGLVTKTDPEKGEIEDYRLLTDILGIEDYNGDMDFKIAGTNKGITALQADIKLPGIPIKIVMEAIQQASVAKKEILQIMNKTISKPRASRKENGPVVETVQVPLSKRAKFVGPGGYNLKKLQAETGVTISQVDEETFSVFAPTPSAMHEARDFITE------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3U1K.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -333012 for 5229 contacts (-63.7/contact) +
2D Compatibility (PS) -65262 + (NN) -27847 + (LL) 6948
1D Compatibility (HY) -42000 + (ID) 11500
Total energy: -472673.0 ( -90.39 by residue)
QMean score : 0.508
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