Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDIVLATGGTGGHIFPAITLARAIKRQGYDSILFADKKTGKNTDVKDYTLPLN---KPGGNKFRFFLLLIYSCVLALYQIRKLKPKLVIGFGGYASFPTLLAAKVLSIPIILHEQNAVLGRVNKFFFNSAELIATSFPETKYAKGNKCVFIGN------FVDIKAKSHSSTKKILTVLIIAGSQGANFFDDVVSSVICNLPIEIRKKIRVVQQCMKKNMNKVEGLYKGGQVICELSEFFDDMGSRLTDAHLVISRAGATSIAEITLARRPAIYIPYPCSKDDHQFYNAEYIKDSGAAVVVEQNSEVKKNLTKLLVNLLGDSQKLRDMANNTKKIRIKNGVTEFIRIVIHKLG |
3S2U Chain:A ((4-338)) | -NVLIMAGGTGGHVFPALACAREFQARGYAVHWLGTPRGIENDLVPKAGLPLHLIQ--------APLELLKSLFQALRVIRQLRPVCVLGLGGYVTGPGGLAARLNGVPLVIHEQNAVAGTANRSLAPIARRVCEAFPDT-FPA---RLTTGNPVRGELFLDAHARAPLTGRRV-NLLVLGGSLGAEPLNKLLPEALAQVPLEIRPAIR--HQAGRQHAEITAERYRTVAVEADVAPFISDMAAAYAWADLVICRAGALTVSELTAAGLPAFLVP-----DDHQTRNAEFLVRSGAGRLLPQKSTGAAELAAQLSEVLMHPETLRSMADQARSLAKPEATRTVVDACLEVA- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3S2U.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -190271 for 2625 contacts (-72.5/contact) +
2D Compatibility (PS) -32419 + (NN) -11889 + (LL) 584
1D Compatibility (HY) -17200 + (ID) 5200
Total energy: -256395.0 ( -97.67 by residue)
QMean score : 0.544
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