Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQDLQKEVASRKTFAIISHPDAGKTTITEQLLLFGGVIRSAGTVKGKKSGKFATSDWMEIEKQRGISVTSSVMQFDYNGSRINILDTPGHSDFSEDTYRTLMAVDSAVMVIDAAKGIEAQTLKLFKVCRMRGIPIFTFINKMDRQGKMPLELLAELEEVLGIESYPMNWPIGMGKELAGLYDRYHRVIEQYRSEEDERFLPLGEDGDLKEAHAIQK--SLYYDQALEEIMLLDEAGNDFSRERIIAGEQTPVFFGSALTNFGVETFLRTFVDFAPAPSSHESNEGVIEADNPKFSGFIFKIQANMNPAHRDRIAFIRICSGEFERGMNVTLTRTGKSLKLANSTQFMADDRETVNRAVAGDIIGLYDTGNYQIGDTITNGSKKLEFEKLPQFTPELFMRVYAKNVMKQKHFHKGVEQLVQEGAIQLFKTWRTEEYIIGAVGQLQFEVFEHRMRGEYNSEIRMEPIGKKIARWVK---EEDADEKLSTARSMLVKDRFDQPLFLFENEFAINWFNDKNPDIELTSLL-- |
2H5E Chain:A ((3-529)) | -LSPYLQEVAKRRTFAIISHPDAGKTTITEKVLLFG-------------------------------QITTSVMQFPYHDCLVNLLDTPGHEDFSEDTYRTLTAVDCCLMVIDAAKGVEDRTRKLMEVTRLRDTPILTFMNKLDRDIRDPMELLDEVENELKIGCAPITWPIGCGKLFKGVYHLYKDETYLYQSGKGHTIQEVRIVKGLNNPDLDAAVGEDLAQQLRDELELVKGASNEFDKELFLAGEITPVFFGTALGNFGVDHMLDGLVEWAPAPMPRQTDTRTVEASEDKFTGFVFKIQANMDPKHRDRVAFMRVVSGKYEKGMKLRQVRTAKDVVISDALTFMA-----VEEAYPGDILGLHNHGTIQIGDTFTQG-EMMKFTGIPNFAPELFRRIRLKD---PKQLLKGLVQLSEEGAVQVFRPISNNDLIVGAVGVLQFDVVVARLKSEYNVEAVYESVNVATARWVECADAKKFEEFKRKNESQLALDGGDNLAYIATSMVNLRLAQERYPDVQFHQTREH |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2H5E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -231329 for 4057 contacts (-57.0/contact) +
2D Compatibility (PS) -52576 + (NN) -23170 + (LL) 2460
1D Compatibility (HY) -41200 + (ID) 10800
Total energy: -356615.0 ( -87.90 by residue)
QMean score : 0.530
|
|
|