Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSNTKFPDGFMWGGATAANQFEGGYNLGGKGLACADLFTGGTHTEPRRITAQLEESTFYPSHEAVDFYHHYKEDIKLMAEAGFKVFRMSINWTRIFPTGKEAEPNEEGLQFYEDVFNELKKHQIEPLVTIAHFDIPLALTNEVNG-WASRDLIDYYLHFCEVIFKRYKHLVKHWLTFNEINTATMEIGNYLSLGIRHAEGDFLHQKDDPKVRY------QALHHQFVASAKAVKLGHSINPDFMIGCMIAYMPRYPRTCE-PSDVLLAKQTEAMHSHFCGDVHVKGYYPFYAKTF------FKDNGIELEFDPEDEQILREGT--VDFYTFSYYL----------TLCASNDPAYKNSGKSVIGGAEN----PYLKTNDWGMQTDPVGLR---IALNDLYTRYNIPLMVVENGLGAFDKLEDDGTINDPYRIDYFKEHILQMHKAIQDGVDLIGFTIWGCIDLVSASTGEMAKRYGIIYVDKYDDGTGDYSRKKKASYYWYKDVISSNGEIGLEE |
4PBG Chain:B ((1-465)) | MTKT-LPKDFIFGGATAAYQAEGATHTDGKGPVAWDKY--------------LEDNYWYTAEPASDFYHKYPVDLELAEEYGVNGIRISIAWSRIFPTGY-GEVNEKGVEFYHKLFAECHKRHVEPFVTLHHFDTPEALHS--NGDFLNRENIEHFIDYAAFCFEEFPE-VNYWTTFNEIGPI--------------GDGQYLVGKFPPGIKYDLAKVFQSHHNMMVSHARAVKLYKDKGYKGEIGVVHALPTKYPYDPENPADVRAAELEDIIHNKFILDATYLGHYS--DKTMEGVNHILAENGGELDLRDEDFQALDAAKDLNDFLGINYYMSDWMQAFDGETEIIHNGKGEKGSSKYQIKGVGRRVAPDYVPRTDWDWIIYPEGLYDQIMRVKNDYPNYK-KIYITCNGLGYKDEFVDN-TVYDDGRIDYVKQHLEVLSDAIADGANVKGYFIWSLMDVFSWSNG-YEKRYGLFYVD-FDTQ----ERYPKKSAHWYKKLAETQ------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4PBG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -208845 for 3701 contacts (-56.4/contact) +
2D Compatibility (PS) -45850 + (NN) -16456 + (LL) 2756
1D Compatibility (HY) -29600 + (ID) 8350
Total energy: -306345.0 ( -82.77 by residue)
QMean score : 0.448
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