Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAKTSYALLLLDILLTFNVAKAIELRFVPDPPTLNITEKTIKINASDTLQITCRGRQILEWSTPHNRTSSETRLTISDCSGDGLFCSTLTLSKAVANETGEYRCFYKSLPKEDGKTSVAVYVFIQDYRTPFVRIAQDYDVVFIREGEQVVIPCLVSVEDLNVTLYTKYPVKELSTDGKEVIWDSRRGFILPSRVVSYAGVVYCQTTIRNETFQSSPYIVAVVGYKIYDLTLSPQHERLTVGERLILNCTAHTELNVGIDFQWTFPHEKRSVNGSMSTSRYKTSSNKKKLWNSLELSNTLTVENVTLNDTGEYICTASSGQMQKIAQASLIVYEKPFIALSDQLWQTVEAKAGDAEAKILVKYYAYPEPAVRWYKNDQLIVLRDEYRMKFYRGVHLTIYGVTEKDAGNYTVVMTNKITKEEQRRTFQLVVNDLPRIFEKDVSLDRDVHMYGSSPTLTCTASGGSSPVTIKWQWMPREDCPVRFLPKSDTRMAKCDKWREMSNNTGKNPLISQTSVDERTLKTISTLKIQKAVDHALYRCIATNKMGQDQRVIVFQVTRFLNLSVLPSSSPIEGQDVIMRCVADRLLYYNLRWYRVANVANHDPPPAAVPCDTLTLSHLHQPNVTVSGLQGTNVTLDMPIPNATMMDQGLYACQVEIVGTNEKTCLLHNLRLRALEMSRIVTNLTDQRVNVSDSTTLVCEVSGTPTPTIVWTKDNQTVMEGSGVILKRSNRVLTIQRVKKEDSGLYICTACNQQGCESSEARISVDGAEEKMNVELIMPIGAVVIAMFLWLLIVFVIRNRKRPNDGDLKTGYLSIILDSDDMPMDEHCERLTYDASKWEFPRDRLKLGEPLGRGAFGQVVEATAYGIEKATTCTTVAVKMLKEGATSSEYRALMSELKILIHIGHHLNVVNLLGACTKQGGPLMVIVEYCKHGNLSSYLKSKRGEYSPYKKRTPRMPNRREVQQDEDPREGDLGLGTSTRLDICTGTAVCTRTGEQTYKTLQDEQESSDWDHLTMEDLISYSFQVAKGMEFLASRKCIHRDLAARNILLSENSVVKICDFGLARDVYKDPDYVRKGDARLPLKWMAPETIFDRVYTTQSDVWSFGVLLWEIFSLGASPYPGVCIDESFCRRLKEGTRMRAPDYATPEIYQTMLDCWLDRPLDRPTFTQLVEHLGNLLQASAQQDGKDYIPLTNGEMEEELVAPHLNVTSKRSFYAGNTEAQLHYDNAPPLGFPQQMNSSGVPVNMTGFVDIPLEHTTVMDGHVDCGVGLSREQMKALDRQAQRPLNFSPLLRCKSKESLASESSNQTSGYQSGYHSDDAEAPIYANEEMILKRDIRKKPPLPKRNDKFSAEVRYSAPPV |
3B8R Chain:A ((4-307)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ERLPYDASKWEFPRDRLKLGKPLG-----QVIEADAFGIDKTATCRTVAVKMLKEGATHSEHRALMSELKILIHIGHHLNVVNLLGACTKPGGPLMVITEFCKFGNLSTYLRSKRNEFVPYKV-----------------------------------------APEDLYK-----------DFLTLEHLICYSFQVAKGMEFLASRKCIHRDLAARNILLSEKNVVKICDFGL-----------------LPLKWMAPETIFDRVYTIQSDVWSFGVLLWEIFSLGASPYPGVKIDEEFCRRLKEGTRMRAPDYTTPEMYQTMLDCWHGEPSQRPTFSELVEHLGNLLQANAQQD------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3B8R.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -216595 for 2179 contacts (-99.4/contact) +
2D Compatibility (PS) -30251 + (NN) -14153 + (LL) 68880
1D Compatibility (HY) -38400 + (ID) 11900
Total energy: -242419.0 ( -111.25 by residue)
QMean score : 0.134
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