Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSTDIPATVSAETVTSWSDDVDVTVIGFGIAGGCAAVSAAAAGARVLVLERAAAAGGTTALAGGHFYLGGGTTVQLATGHPDSPEEMYKYLV-AVSREPDHDKIRAYCDGSVEHFNWLEGLGFQFERSYFPGKAVIQPNTEGLMFTGNEKVWPFLELAVPAPRGHKVPV-----PGDTGGAAMVIDLLLKRAASLGIQIRYETGATELIVDGTGKVTGVMWKRFSETGAIKAKS-VIIAAGGFVMNPDMVAKYTPKLAEKPFVLGNTYDDGLGIRLGVSAGGATQHMDQMFITAPPYPPSILLTGIIVNKLGQRFVAEDSYHSRTAGFIMEQPDSAAYLIVDEAHLEH-----PKMPLVPLIDGW--ETVVEMEAALGIPPGNLAATLDRYNAYAARGADPDFHKQPEFLAAQDNGPWGAFDMSLGKAMYAGFTLGGLATSVDGQVLRDDGAVVAGLYAVGACASNIAQDGKGYASGTQLGEGSFFGRRAGAHAAARAQGM |
| 4AT2 Chain:A ((31-509)) | ---------SATTVTEWDYEADVVVAGYGIAGVAASIEAARAGADVLVLERTSGWGGATALAGGFIYLGGGTPLQKACGFDDSPENMKTFMMAALGPGADEEKITDYCEGSVEHYNWLVDCGVPFKESFWGEPGWEPPFDDGLMYSGGENAAPFNEIAAPAPRGH-VPQMDGKRTGEKGGGYMLMKPLVETAEKLGVRAEYDMRVQTLVTDDTGRVVGIVAKQYGKEVAVRARRGVVLATGSFAYNDKMIEAHAPRLIGRPGAAIEEH-DGRSILMAQALGADLAHMDATEV-AFVCDPQLIVRGILVNGRGQRYVPEDTYSGRIGQMTLFHQDNQAFLIIDEASYEEGAAATTATPFLRVQPKWAAETVEELESDMGLPAGALQSTVEVYNKHAAEGSDPLLHKKSEWVKPIGT-PVAALDL---RGFTLGFTLGGLRTTVNSEVLHVSGEPIPGLFAAGRCTSGVC--AGGYASGTSLGDGSFYGRRAGISAAKQ---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4AT2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -291760 for 4445 contacts (-65.6/contact) +
2D Compatibility (PS) -50055 + (NN) -23336 + (LL) 796
1D Compatibility (HY) -33200 + (ID) 10000
Total energy: -407555.0 ( -91.69 by residue)
QMean score : 0.498
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