Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTKSVAIIGAGITGLSSAYFLKQQDPNIDVTIFEASNRPGGKIQSYRKD-GYMIELGPESYLGRKTIMTELAKDIGLEQDIVTNTTGQSYIFAKNKLYPIPGGSIMGIPTDIKPFVT-TKLISPLGKL-RAGL-D-LIKKPIQMQDGDISVGAFFRARLGNEVLENLIEPLMGGIYGTDIDKLSLMSTFPNFKEKEEAFGSLIKGMKDEKNKRLKQRQLYPGAPKGQFKQFKHGLSSFIEALEQDVKNKGVTIRYNTSVDDIITSQKQYKIVYSNQQEDVFDGVLVTTPHQVFLNWF-GQD-PAF--DYFKTMDSTTVATVVLAFDEKDIENTYDGTGFVIARTSDTDITACTWTSKKWPFTTPEG-KVLIRAYVGKPGDTVVDDHTDNELVSIVRRDLSQMMTFKG--DPEFTIVNRLPKS------MP-QYHVGHIQQIRQIQAHIKQTYPRLRVTGASFE---AVGLPDCITQGKVAAEEVIAEL |
1S3E Chain:A ((3-454)) | NKCDVVVVGGGISGMAAAKLLHDS--GLNVVVLEARDRVGGRTYTLRNQKVKYVDLGGSYVGPTQNRILRLAKELGLETYKVNE-VERLIHHVKGKSYPFRGP--FPPVWNPITYLDHNNFWRTMDDMGREIPSDAPWKAPLAEEWDNMTMKELLDKLCWTESAKQLATLFVNLCVTAETHEVSALWFLWYVKQ----CGGTTR-IIS-TT------------NGGQERKFVGGSGQVSERIMDLLG---DRVKLERPVIYIDQTRENVLVETLNHEMYEAKYVISAIPPTLGMKIHFNPPLPMMRNQMITRVPLGSVIKCIVYYKEPFWRKK-DYCGTMIIDGE-EAPVAYTLDD-----TKPEGNYAAIMGFILAHKARKLARLTKEERLKKLCELYAKVLGSLEALEPVHYEEKNWCEEQYSGGCYTTYFPPGILTQ---YGRVLRQPVDRIYFAGTETATHWSGYMEGAVEAGERAAREILHAM |
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General information:
TITO was launched using:
| RESULT:
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Template: 1S3E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -157437 for 3785 contacts (-41.6/contact) +
2D Compatibility (PS) -45086 + (NN) -6223 + (LL) 1732
1D Compatibility (HY) -20400 + (ID) 3600
Total energy: -231014.0 ( -61.03 by residue)
QMean score : 0.445
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