Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKIILLGATGSIGTQTLAIIRENPE---KFQVVALSFGRNMERGRAIIKEFKPKMVAVWHTRDRVTLEAEFPNVKFFN-----GLEGLREVATYLDGDVLLNAVMGSVGLLPTLDAIEAGKAIAIANKETLVTAGHLVMRAAK-EKNISLLPVDSEHSAILQAL-------------NGENTERIEKIILTASGGSFRDKTREQLSAVTVKEALKHPNWNMGNKLTIDSATMFNKGLEVMEAHWLFGVDYDDIEVVIQRESIIHSMVQFVDGSFIAQLGTPDMRMPIQYALTYPDRLYIPYEKEFRITDFSALHFEKVDYERFPALKLAYNAGKIGGTMPTVLNAANEIAVAGFLNGQVAFYNIEALVENAMNRHTSISNPDLDTILQVDQETRAYVKTLL |
3WQR Chain:B ((80-453)) | ---VAIFGSTGSIGTNALNIIRECNKIENVFNVKALYVNKSVNELYEQAREFLPEYLCIHDKSVYEELKELVKNIKDYKPIILCGDEGMKEICSSNSIDKIVIGIDSFQGLYSTMYAIMNNKIVALANKESIVSAGFFLKKLLNIHKNAKIIPVDSEHSAIFQCLDNNKVLKTKCLQDNFSKINNINKIFLCSSGGPFQNLTMDELKNVTSENALKHPKWKMGKKITIDSATMMNKGLEVIETHFLFDVDYNDIEVIVHKECIIHSCVEFIDKSVISQMYYPDMQIPILYSLTWPDRIKTNL-KPLDLAQVSTLTFHKPSLEHFPCIKLAYQAGIKGNFYPTVLNASNEIANNLFLNNKIKYFDISSIISQVLESFNS------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WQR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -221140 for 3022 contacts (-73.2/contact) +
2D Compatibility (PS) -37680 + (NN) -7569 + (LL) 2360
1D Compatibility (HY) -34400 + (ID) 7600
Total energy: -306029.0 ( -101.27 by residue)
QMean score : 0.496
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