Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLNTSNSPFTEKQVTEINNLLQTLTESQQQWLSGFLLANSNDTTSDSNQQQLETEVWQQSQISEEQATSTTYMLQNKEPHIEANQRHVTVLYGSESGNAMRLAEIFSERLSDIGHQVVLMSMDEYDTTNIAQLEDLFIITSTHGEGEPPDNAWDFFEFLEDDNAPNLNHVRYSVLALGDQTYEFFCQAGKDVDALLENLGAERICKRVDCDIDYEEDAEKWMADIINMIDTTSEGIQSESVISESIKSAKEKKYSKLNPYQAEVLANINLNGTDSNKETRHIEFLLDDFSESYEPGDCIVALPQNDPELVEKLISMLGWDPQSPVPINDRGDTVPIVEALTSHFEFTKLTLPLLKNADIYFDNEELSERIQDESWAREYVINRDFIDLITDFPTIELQPENMYQILRKLPPREYSISSSFMATPDEVHITVGTVRYQAHGRERKGVCSVHFAERIKPGDIVPIYLKKNPNFKFPMKQDIPVIMIGPGTGIAPFRAYLQEREELGMTGKTWLFFGDQHRSSDFLYEEEIEEWLENGNLTRVDLAFSRDQEHKEYVQHRIMEESERFNEWIEQGAAIYICGDEKCMAKDVHQAIKDVLVKERHISQEEAELLLRQMKQQQRYQRDVY |
1DDG Chain:B ((6-374)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YSKDAPLVASLSVNQKITGRNSEKDVRHIEIDLGDSGLRYQPGDALGVWYQNDPALVKELVELLWLKGDEPVTVE--GKTLPLNEALQWHFELTVNTANIVENYATLTRSETLLPLVGDKAKLQHYAATTPIVDMVR-FSPAQLDAEALINLLRPLTPRLYSIASSQAEVENEVHVTVGVVRYDVEGRARAGGASSFLADRVEEEGEVRVFIEHNDNFRLPANPETPVIMIGPGTGIAPFRAFMQQRAADEAPGKNWLFFGNPHFTEDFLYQVEWQRYVKEGVLTRIDLAWSRDQKEKVYVQDKLREQGAELWRWINDGAHIYVCGDANRMAKDVEQALLEVIAEFGGMDTEAADEFLSELRVERRYQRDVY |
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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) -179964 for 3070 contacts (-58.6/contact) +
2D Compatibility (PS) -40023 + (NN) -18765 + (LL) 17116
1D Compatibility (HY) -28000 + (ID) 7700
Total energy: -257336.0 ( -83.82 by residue)
QMean score : 0.551
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