Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLNTSNSPFTEKQVTEINNLLQTLTESQQQWLSGFLLANSNDTTSDSNQQQLETEVWQQSQISEEQATSTTYMLQNKEPHIEANQRHVTVLYGSESGNAMRLAEIFSERLSDIGHQVVLMSMDEYDTTNIAQLEDLFIITSTHGEGEPPDNAWDFFEFLEDDNAPNLNHVRYSVLALGDQTYEFFCQAGKDVDALLENLGAERICKRVDCDIDYEEDAEKWMADIINMIDTTSEGIQSESVISESIKSAKEKKYSKLNPYQAEVLANINLNGTDSNKETRHIEFLLDDFSESYEPGDCIVALPQNDPELVEKLISMLGWDPQSPVPINDRGDTVPIVEALTSHFEFTKLTLPLLKNADIYFDNEELSERIQDESWAREYVINRDFIDLITDFPTIELQPENMYQILRKLPPREYSISSSFMATPDEVHITVGTVRYQAHGRERKGVCSVHFAERIKPGDIVPIYLKKNPNFKFPMKQDIPVIMIGPGTGIAPFRAYLQEREELGMTGKTWLFFGDQHRSSDFLYEEEIEEWLENGNLTRVDLAFSRDQEHKEYVQHRIMEESERFNEWIEQGAAIYICGDEKCMAKDVHQAIKDVLVKERHISQEEAELLLRQMKQQQRYQRDVY |
1DDG Chain:A ((5-374)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PYSKDAPLVASLSVNQKITGRNSEKDVRHIEIDLGDSGLRYQPGDALGVWYQNDPALVKELVELLWLKGDEPVTV--EGKTLPLNEALQWHFELTVNTANIVENYATLTRSETLLPLVGDKAKLQHYAATTPIVDMVRFSP-AQLDAEALINLLRPLTPRLYSIASSQAEVENEVHVTVGVVRYDVEGRARAGGASSFLADRVEEEGEVRVFIEHNDNFRLPANPETPVIMIGPGTGIAPFRAFMQQRAADEAPGKNWLFFGNPHFTEDFLYQVEWQRYVKEGVLTRIDLAWSRDQKEKVYVQDKLREQGAELWRWINDGAHIYVCGDANRMAKDVEQALLEVIAEFGGMDTEAADEFLSELRVERRYQRDVY |
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General information:
TITO was launched using:
| RESULT:
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Template: 1DDG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -186431 for 3074 contacts (-60.6/contact) +
2D Compatibility (PS) -40172 + (NN) -18953 + (LL) 17000
1D Compatibility (HY) -27200 + (ID) 7700
Total energy: -263456.0 ( -85.70 by residue)
QMean score : 0.563
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