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-QKLTFQEPDHKRFPALKLSMEVLNSSSPHTNSIVLNAANEVAVDKFLKSRIDFLEIIKVVKLTVENFDSYTDINSLSDIINIDLESRAIAKEIIKNKVLAYS |
3WQQ Chain:A ((80-476)) | ---VAIFGSTGSIGTNALNIIRECNKIENVFNVKALYVNKSVNELYEQAREFLPEYLCIHDKSVYEELKE--LVKNIKDYKPIILCGDEGMKEICSSNSIDKIVIGIDSFQGLYSTMYAIMNN-KIVALANKESIVSAGFFLKKLLNIHKNAKIIPVDSEHSAIFQCLDNNKVLKTKCLQDNFSKINNINKIFLCSSGGPFQNLTMDELKNVTSENALKHPKWKMGKKITIDSATMMNKGLEVIETHFLFDVDYNDIEVIVHKECIIHSCVEFIDKSVISQMYYPDMQIPILYSLTWPDRIKTNLKPLDLAQVSTLTFHKPSLEHFPCIKLAYQAGIKGNFY--PTVLNASNEIANNLFLNNKIKYFDISSIISQVLESFNSQKVSENSEDLMKQILQIHSWAKDKATDIYNKHN |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WQQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -236635 for 3202 contacts (-73.9/contact) +
2D Compatibility (PS) -39730 + (NN) -9898 + (LL) 508
1D Compatibility (HY) -32800 + (ID) 7600
Total energy: -326155.0 ( -101.86 by residue)
QMean score : 0.494
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