Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MTLDVGPEDELPDWAAAKEFYQKYDPKDVIGRGVSSVVRRCVHRATGHEFAVKIMEVTAE-RLSPEQLEEVREATRRETHILRQVAGHPHIITLIDSYESSSFMFLVFDLMRKGELFDYLTEK--------------------------------------VALSEKETRSIMRSLLEAVSFLHANNIVHRDLKPENILLDDN--MQIRLSDFGFSCHLE---PGEKLRELCGTPGYLAPEILKCSMDETHPGYGKEVDLWACGVILFTLLAGSPPFWHRRQILMLRMIMEGQYQFSSPEWDDRSSTVKDLISRLLQVDPEARLTAEQALQHPFFERCEGSQPWNLTPRQRFRVAVWTVLAAGRVALSTHRVRPLTKNALLRDPYALRSVRHLIDNCAFRLYGHWVKKGEQQNRAALFQHRPPGPFPIMGPEEEGDSAAITEDEAVLVLG |
| 3HKO Chain:A ((21-338)) | ----------------LLELQKKYHLKGAIGQGSYGVVRVAIENQTRAIRAIKIMNKNKIRQ---KDV----ERIKTEVRLMKKL-HHPNIARLYEVYEDEQYICLVMELCHGGHLLDKLNVFIDDSTGKCAMDVVKTQICPCPECNEEAINGSIFRESLDFVQREKLISNIMRQIFSALHYLHNQGICHRDIKPENFLFSTNKSFEIKLVDFGLSKEFYKLNNG------AGTPYFVAPEVLNT----TNESYGPKCDAWSAGVLLHLLLMGAVPFPGVNDADTISQVLNKKLCFENPNYNVLSPLARDLLSNLLNRNVDERFDAMRALQHPWISQFSDKIYKMS-------------------------------------------------------------------------------------------------------- |
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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) -152370 for 2022 contacts (-75.4/contact) +
2D Compatibility (PS) -28381 + (NN) -21381 + (LL) 8852
1D Compatibility (HY) -21600 + (ID) 4500
Total energy: -219380.0 ( -108.50 by residue)
QMean score : 0.417
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