Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKDLLQAQQKLIPDLIDKMYKRFSILTTISKNQPVGRRSLSEHMDMTERVLRSETDMLKKQDLIKVKPTGMEITAEGEQLISQLKGYFDIYADDNRLSEGIKNKFQIKEVHVVPGDADNSQSVKTELGRQAGQLLEGILQEDAIVAVTGGSTMACVSEAIHLLP-----YNVFFVPARGGLGENV--VFQANTIAASMAQQAGGYYTTMYVPDNVSETTYNTLLLEPSVINTLDK-IKQANVILHGIGD-ALKMAHRRQSPEKVIEQLQHHQAVGEAFGYYFDTQGQIVH---KVKTIGLQLEDLESKDFIFAVAGGKSKGEAIKAYLTIAPKNTVLITDEAAAKIILE |
3EFB Chain:A ((12-266)) | --------------------------------------------------------------------------------------------ENLWLEQQLKQKFGLKDVVVVSGNDEDEETQLAMMGLHGAQLLDRLLEPGDIVGFSWGRA---VSALVENLPQAGQSRQLICVPIIGGPSGKLESRYHVNTLTYSAAAKLKGESHLADFPALLDNPLIRNGIMQSQHFKTISAYWDNLDIALVGIGSP------AFYGGEES-DDLNARQVAGDICSRFFDIHGAMVETNMSEKTLSIEMNKLKQARYSIGIAMSEEKYSGIIGALRGKYIN-CLVTNSSTAELLLK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3EFB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -130245 for 1999 contacts (-65.2/contact) +
2D Compatibility (PS) -25390 + (NN) -12428 + (LL) 8880
1D Compatibility (HY) -14800 + (ID) 2800
Total energy: -176783.0 ( -88.44 by residue)
QMean score : 0.494
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