Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MRYIDDGLENQTILITGGAGFVGSNLAFYFQENHPKAKVVVLDKFRSNTLSSNNRPSSLGHFKNLIGFKGEVIIADINNPLDLRRLEKLHFDYLFHQAAVSDTTM---LNQELVMKTNYQAFLNLLEIARSKKA-KVIYASSAGVYGNTKA-----PNIVG----SNESPENVYGFSKLCMDEFVLSHS-S--DNVVGLRYFNVYGSREFYKEKTASMVLQLALSAMAF-KEVKLFEFGEQLRDFVYIEDVIQANVKAMKAQKSGVYNVGYSQARSYNEIVSILKEHLGDFKVSYIKNPYTFFQKHTQAHIEPTILDLDYTPLYDLESGIKDYLPHIHAIFKEQHA |
| 2C5A Chain:A ((23-344)) | ---QYWPSENLKISITGAGGFIASHIARRLKHE--GHYVIASDWKKNEH-------------MTEDMFCDEFHLVDLRVMENCLKVTE-GVDHVFNLAADMGGMGFIQSNHSVIMYNNTMISFNMIEAARINGIKRFFYASSACIYPEFKQLETTNVSLKESDAWPA-EPQDAFGLEKLATEELCKHYNKDFGIECRIGRFHNIYGPFGTWKGGREKAPAAFCRKAQTSTDRFEMWGDGLQTRSFTFIDECVEGVLRLTKSDFREPVNIGSDEMVSMNEMAEMVLSFEE-KKLPIHHIPGPEGVRGRNSDNNLIKEKLGWAPNMRLKEGLRITYFWIKEQIEKEKA |
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General information:
TITO was launched using:
| RESULT:
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Template: 2C5A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -132293 for 2718 contacts (-48.7/contact) +
2D Compatibility (PS) -32674 + (NN) -10418 + (LL) 552
1D Compatibility (HY) -4800 + (ID) 3100
Total energy: -182733.0 ( -67.23 by residue)
QMean score : 0.527
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