Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKISVLGSTGSIGKKTVDLLL---KRKEEYQVEALSTCSNFALLACQAKLLNARYVAISNKRFYKDLKESLLGTGIK-----VEVGTEGLMNVASL-PVDLSVVAVVGIAGLEPVMHVIESGTKVIALANKESIVCGGKLLLKKTE-EKNVQIVPIDSEHNAIFQVLQNG----NKCVE----------KIILTASGGSFLNYSLEQLRNVTVGQALSHPTWNMGKKISVDSATMMNKALEIIEAHNLFNISPNRIEAIVHPESIIHGIVIYKDGFNFAVLAEADMAIPISYALSWPERSALSYK-LDLTK-QKLTFQEPDHKRFPALKLSME--VLNSSSPHTNSIVLNAANEVAVDKFLKSRIDFLEIIKVVKLTVENFDSYTDINSLSDIINIDLESRAIAKEIIKNKVLAYS |
4GAE Chain:A ((18-414)) | ---VAIFGSTGSIGTNALNIIRECNKIENVFNVKALYVNKSVNELYEQAREFLPEYLCIHDKSVYEELKE--LVKNIKDYKPIILCGDEGMKEICSSNSIDKIVIGIDSFQGLYSTMYAI-MNNKIVALANKESIVSAGFFLKKLLNIHKNAKIIPVDSEHSAIFQCLDNNKVIKTKCLQDNFSKINNINKIFLCSSGGPFQNLTMDELKNVTSENALKHPKWKMGKKITIDSATMMNKGLEVIETHFLFDVDYNDIEVIVHKECIIHSCVEFIDKSVISQMYYPDMQIPILYSLTWPDRIKTNLKPLDLAQVSTLTFHKPSLEHFPCIKLAYQAGIKGNFYP----TVLNASNEIANNLFLNNKIKYFDISSIISQVLESFNSQKVSENSEDLMKQILQIHSWAKDKATDIYNKHN |
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General information:
TITO was launched using:
| RESULT:
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Template: 4GAE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -226551 for 3145 contacts (-72.0/contact) +
2D Compatibility (PS) -39902 + (NN) -12691 + (LL) 576
1D Compatibility (HY) -33600 + (ID) 7650
Total energy: -319818.0 ( -101.69 by residue)
QMean score : 0.494
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