Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQDLQKEVASRKTFAIISHPDAGKTTITEQLLLFGGVIRSAGTVKGKKSGKFATSDWMEIEKQRGISVTSSVMQFDYNGSRINILDTPGHSDFSEDTYRTLMAVDSAVMVIDAAKGIEAQTLKLFKVCRMRGIPIFTFINKMDRQGKMPLELLAELEEVLGIESYPMNWPIGMGKELAGLYDRYHRVIEQYRSEEDER--FLPLGEDGDLKEAHAIQKSLYYDQALEEIMLLDEAGNDFSRERIIAGEQTPVFFGSALTNFGVETFLRTFVDFAPAPSSHESNEGVIEADNPKFSGFIFKIQANMNPAHRDRIAFIRICSGEFERGMNVTLTRTGKSLKLANSTQFMADDRETVNRAVAGDIIGLYDTGNYQIGDTITNGSKKLEFEKLPQFTPELFMRVYAKNVMKQKHFHKGVEQLVQEGAIQLFKTWRTEEYIIGAVGQLQFEVFEHRMRGEYNSEIRMEPIGKKIARWVKE---EDADEKLSTARSMLVKDRFDQPLFLFENEFAINWFNDKNPDIELTSLL |
2H5E Chain:A ((6-526)) | ----YLQEVAKRRTFAIISHPDAGKTTITEKVLLFGQ-------------------------------ITTSVMQFPYHDCLVNLLDTPGHEDFSEDTYRTLTAVDCCLMVIDAAKGVEDRTRKLMEVTRLRDTPILTFMNKLDRDIRDPMELLDEVENELKIGCAPITWPIGCGKLFKGVYHLYKDETYLYQSGKGHTIQEVRIVKGLNNPDLDAAVGEDLAQQLRDELELVKGASNEFDKELFLAGEITPVFFGTALGNFGVDHMLDGLVEWAPAPMPRQTDTRTVEASEDKFTGFVFKIQANMDPKHRDRVAFMRVVSGKYEKGMKLRQVRTAKDVVISDALTFMA-----VEEAYPGDILGLHNHGTIQIGDTFTQGE-MMKFTGIPNFAPELFRRIRLKDP---KQLLKGLVQLSEEGAVQVFRPISNNDLIVGAVGVLQFDVVVARLKSEYNVEAVYESVNVATARWVECADAKKFEEFKRKNESQLALDGGDNLAYIATSMVNLRLAQERYPDVQFHQT- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2H5E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -230682 for 4040 contacts (-57.1/contact) +
2D Compatibility (PS) -52151 + (NN) -23233 + (LL) 2816
1D Compatibility (HY) -40400 + (ID) 10800
Total energy: -354450.0 ( -87.74 by residue)
QMean score : 0.531
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