Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MADILSQEEIDALLEVVDENVDIQNVQKKDIIPQRSVTLYDFKRPNRVSKEQLRSFRSIHDKMARNLSSQVSSIMRSIVEIQLHSVDQMTYGEFLMSLPSPTSFNVFSM-KPMGGTGVLEINPSIAFPMIDRLLGGKGSAYDQNREFSDIELNLLDTILRQVMQILKEVWSPVVEMYPTIDAKESSANVVQIVAQNEISIMVVLEIIIGHSRGMMNICYPVISIESILSKMGSRDFMLSETNSKKSRNKELQALLSGVSVDMMVFLGAVELSLKEMLDLDVGDTIRLNKVANDEVSVYVHKKKRYLASVGFQGYRKTIQIKEVVYSEKERTKEILEMLEEQRRGKVGDIMKIEEE |
1SQU Chain:A ((3-106)) | --------------------------------------------------------ARIVNALIGSVYETIRDVLGIEPKTGKPSTVS----H---IEIPHSLVTVIGITGGIEGSLIYSFSSETALKVVSAMMGGMEY-----NQLDELALSAIGELGNMTAGKLAMKLEHLGKHVDITPPTVVSGRDLKIKSFGVILKLPISVFSEEDFDLHLSVK----------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1SQU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -37345 for 618 contacts (-60.4/contact) +
2D Compatibility (PS) -11119 + (NN) -5028 + (LL) 17232
1D Compatibility (HY) -5200 + (ID) 450
Total energy: -41910.0 ( -67.82 by residue)
QMean score : 0.372
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