Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGCGTSKVLPEPPKDVQLDLVKKVEPFSGTKSDVYKHFITEVDSVGPVKAGFPAASQYAHPCPGPPTAGHTEPPSEPPRRARVAKYRAKFDPRVTAKYDIKALIGRGSFSRVVRVEHRATRQPYAIKMIETKY---REGREVCESELRVLRRVRHANIIQLVEVFETQERVYMVMELATGGELFDRIIA---------------K--------------G--SF--------TERDATRVLQMVLDGVRYLHALGITHRDLKPENLLYYHPGTDSKIIITDFGLASAR---KKGDDCLMKTTCGTPEYIAPEVLVR--KPYTNSVDMWALGVIAYILLSGTMPFEDDNRTRLYRQILRGKYSYSGEPWPSVSNLAKDFIDRLLTVDPGARMTALQALRHPWVVSMAASSSMKNLHRSISQNLLKRASSRCQSTKSAQSTRSSRSTRSNKSRRVRERELRELNLRYQQQYNG |
3HKO Chain:A ((24-337)) | ---------------------------------------------------------------------------------------------LQKKYHLKGAIGQGSYGVVRVAIENQTRAIRAIKIMNKNKIRQ-KDVERIKTEVRLMKKLHHPNIARLYEVYEDEQYICLVMELCHGGHLLDKLNVFIDDSTGKCAMDVVKTQICPCPECNEEAINGSI-FRESLDFVQREKLISNIMRQIFSALHYLHNQGICHRDIKPENFLFSTNK-SFEIKLVDFGLSKEFYKLNNG--------AGTPYFVAPEVLNTTNESYGPKCDAWSAGVLLHLLLMGAVPFPGVNDADTISQVLNKKLCFENPNYNVLSPLARDLLSNLLNRNVDERFDAMRALQHPWISQFSDKIYKMS---------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3HKO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -184392 for 1973 contacts (-93.5/contact) +
2D Compatibility (PS) -27777 + (NN) -16946 + (LL) 7472
1D Compatibility (HY) -22800 + (ID) 4400
Total energy: -248843.0 ( -126.12 by residue)
QMean score : 0.483
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