Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQDLQKEVASRKTFAIISHPDAGKTTITEQLLLFGGVIRSAGTVKGKKSGKFATSDWMEIEKQRGISVTSSVMQFDYNGSRINILDTPGHSDFSEDTYRTLMAVDSAVMVIDAAKGIEAQTLKLFKVCRMRGIPIFTFINKMDRQGKMPLELLAELEEVLGIESYPMNWPIGMGKELAGLYDRYHRVIEQYRSE--EDERFLPLGEDGDLKEAHAIQKSLYYDQALEEIMLLDEAGNDFS----------------------RERIIAGEQTPVFFGSALTNFGVETFLRTFVDFAPAP--------SSHESNEGVIEAD-NPKFSGFIFKIQANMNPAHRDRIAFIRICSGEFERGMNVTLTRTGKSLKLANSTQFMADDRETVNRAVAGD---IIGLYDTGNYQIGDTITN-GSKKLEFEKLPQFTPELFMRVYAKNVMKQKHFHKGVEQLVQEGAIQLFKTW-RTEEYIIGAVGQLQFEVFEHRMRGEYNSEIRMEPIGKKIARWVKEEDADEKLSTARSMLVKDRFDQPLFLFENEFAINWFNDKNPDIELTSLL |
2J7K Chain:A ((5-471)) | ----VEYDLKRLRNIGIAAHIDAGKTTTTERILYYTGRIH----------------------------ITAAVTTCFWKDHRINIIDAPGHVDFTIEVERSMRVLDGAIVVFDSSQGVEPQSETVWRQAEKYKVPRIAFANKMDKTGADLWLVIRTMQERLGARPVVMQLPIGREDTFSGIIDVLRMKAYTYGNDLGTDIREIPIPEE-------------YLDQAREYHEKLVEVAADFDENIMLKYLEGEEPTEEELVAAIRKGTIDLKITPVFLGSALKNKGVQLLLDAVVDYLPSPLDIPPIKGTTPEGEVVEIHPDPNGPLAALAFKIMAD---PYVGRLTFIRVYSGTLTSGSYVYNTTKGRKERVARLLRMHANHREEVEELKAGDLGAVVGLKETIT---GDTLVGEDAPRVILESIEVPEPVIDVAIEPKTKADQEKLSQALARLAEEDPTFRVSTHPETGQTIISGMGELHLEIIVDRLKREFK------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2J7K.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -163892 for 3167 contacts (-51.7/contact) +
2D Compatibility (PS) -43858 + (NN) -17606 + (LL) 7912
1D Compatibility (HY) -22400 + (ID) 6400
Total energy: -246244.0 ( -77.75 by residue)
QMean score : 0.471
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