Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MAKAKFQRTKPHVNIGTIGHVDHGKTTL-------TAAITKVLHDKFPDLNETKAFD---QIDNAPEERQRGITINIAHVEYQTDKRHYAHVDAPGHADYIKNMITGAAQMDGAILVVAATDGPMPQTREHVLLARQVGVPYILVALNKADAVD-DEELLELVEMEVRELLAAQEFDEDAPVVRVSALKA----LEGDAKWVASVEELMNAVDESIPDPVRETDKPFLMPVEDVFTITGRGTVVTGRVERGVINVNEEVEIVGIRPSTT------KTTVTGVEMFRKLLDQGQAGDNVGLLLRGVKREDVERGQVV---TKPGTTTPHTE-FEGQVYILSKDEGGR--HTPFFNNYRPQFYFRTTDVTGVV------TLPEGTEMVMPGDNTNISVKLIQPVAMD------EGLRFAIREGGRTVGAGRVTKIIK |
| 3WYA Chain:A ((5-426)) | ---------KPHVNIVFIGHVDHGKSTTIGRLLYDTGNIP----------------KFAWVMDRLKEE----------HTKFETPHRYITIIDAPGHRDFVKNMITGASQADAAVLVVAATDGVMPQTKEHAFLARTLGIKHIIVTINKMDMVNYDQKVFEKVKAQVEKLLKTLGY-KDFPVIPTSAWNGDNVVKKSDKMPWYNGPTLIEALDQ-IPEPEKPIDKPLRIPIQDVYSIKGVGTVPVGRVETGKLKVG---DVVIFEPASTIFHKPIQGEVKSIEMHHEPLQEALPGDNIGFNVRGVSKNDIKRGDVAGHTDKPPTVVRTKDTFKAQIIVLNHPTAITVGYSPVLHAHTAQIPVRFEQILAKVDPRTGNIVEENPQFIKTGDSAIVVLRPMKPVVLEPVKEIPQLGRFAIRDMGMTIAAGMVISIQK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WYA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -136467 for 2818 contacts (-48.4/contact) +
2D Compatibility (PS) -38260 + (NN) -13406 + (LL) 3172
1D Compatibility (HY) -25200 + (ID) 7150
Total energy: -217311.0 ( -77.12 by residue)
QMean score : 0.447
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