Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSLFKIRMPETVAEGTRLALRAFSLVVAVDEHGGIGDGRSIPWNVPEDMKFFRDLTTKLRGKNVKPSPAKRNAVVMGRKTWDSIPPKFRPLPGRLNVVLSSTLTTQHLLDGLPDEEKRNLHADSIVAVNGGLEQALRLLASPNYTPSIETVYCIGGGSVYAEALRPPCVHLLQAIYRTTIRASESSCSVFFRVPESGTEAAAGIEWQRETISEELTSANGNETKYYFEKLIPRNREEEQYLSLVDRIIREGNVKHDRTGVGTLSIFGAQMRFSLRNNRLPLLTTKRVFWRGVCEELLWFLRGETYAKKLSDKGVHIWDDNGSRAFLDSRGLTE--------------------------------------YEEMDLGPVYGFQWRHFGAAYTHHDANYDGQGVDQIKAIVETLKTNPDDRRMLFTAWNPSALPRMALPPCHLLAQFYVSNGELSCMLYQRSCDMGLGVPFNIASYALLTILIAKATGLRPGELVHTLGDAHVYSNHVEPCNEQLKRVPRAFPYLVFRREREFLEDYEEGDMEVIDYAPYPPISMKMAV |
4DQ1 Chain:A ((9-317)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DAAYHSLCEEVLEIGNTRNDRTNTGTISKFGHQLRFDLSKG-FPLLTTKKVSFKLVATELLWFIKGDTNIQYLLKYNNNIWNEWAFENYIKSDEYNGPDMTDFGHRALSDPEFNEQYKEQMKQFKQRILEDDTFAKQFGDLGNVYGKQWRDWVD--------KDGNHFDQLKTVIEQIKHNPDSRRHIVSAWNPTEIDTMALPPCHTMFQFYVQDGKLSCQLYQRSADIFLGVPFNIASYALLTHLIAKECGLEVGEFVHTFGDAHIYSNHIDAIQTQLARESFNPPTLKINSD-KSIFDINYEDLEIVDYESHPAIKA---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4DQ1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -178165 for 2056 contacts (-86.7/contact) +
2D Compatibility (PS) -28816 + (NN) -10917 + (LL) 15592
1D Compatibility (HY) -22400 + (ID) 6350
Total energy: -231056.0 ( -112.38 by residue)
QMean score : 0.228
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