Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGLNTAIATRVNGTPPPEVPIADIELGSLDFWALDDDVRDGAFATLRREAPISFWPTIELPGFVAGNGH---WALTKYDDVFYASRHPDIFSSYPNITI----NDQTPELAEYFG-SMIVLDDPRHQRLRSIVSRAFTPKVVARIEAAVRDRAHRLVSSMIANNPDRQADLVSELAGPLPLQIICDMMGIPKADHQRIFHWTNVILGFGDPDLATDFDEFMQVSADIGAYATALAEDRRVNHHDDLTSSLVEAEVDGERLSSREIASFFILLVVAGNETTRNAITHGVLALSRYPEQRDRWWSDFDGLAP-TAVEEIVRWASPVVYMRRTLTQDIELRGTKMAAGDKVSLWYCSANRDESKFADPWTFDLARNPNPHLGFGGGGAHFCLGANLARREIRVAFDELRRQMPDVVATEEPARLLSQFIHGIKTLPVTWS |
3IVY Chain:A ((43-426)) | ------------------------------------------FAELRSAAPI--WWNGQDPGKGGGFHDGGFWAITKLNDVKEISRHSDVFSSYENGVIPRFKNDIAREDIEVQRFVMLNMDAPHHTRLRKIISRGFTPRAVGRLHDELQERAQKIAAEAAAAG---SGDFVEQVSCELPLQAIAGLLGVPQEDRGKLFHWSNEMTGNEDPEYA--HIDPKASSAELIGYAMKMAEEK-------IVTQLIQAD--GEKLSDDEFGFFVVMLAVAGNETTRNSITQGMMAFAEHPDQ----WELYKKVRPETAADEIVRWATPVTAFQRTALRDYELSGVQIKKGQRVVMFYRSANFDEEVFQDPFTFNILRNPNPHVGFGGTGAHYCIGANLARMTINLIFNAVADHMPDLKPISAPERLRSGWLNGIKHWQVDYT |
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General information:
TITO was launched using:
| RESULT:
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Template: 3IVY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -219523 for 3011 contacts (-72.9/contact) +
2D Compatibility (PS) -38704 + (NN) -14149 + (LL) 2288
1D Compatibility (HY) -24800 + (ID) 8050
Total energy: -302938.0 ( -100.61 by residue)
QMean score : 0.501
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