Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSVELWQQCVDLLRDELPSQQFNTWIRPLQVEAEGDELRVYAPNRFVLDWVNEKYLGRLLELLGERGEGQLPALSLLIGSKRSRTPRAAIVPSQTHVAPPPPVAPPPAPVQPVSAAPVVVPREELPPVTTAPSVSSDPYEPEEPSIDPLAAAMPAGAAPAVRTERNVQVEGALKHTSYLNRTFTFENFVEGKSNQLARAAAWQVADNL-------KHGYNPLFLYGGVGLGKTHLMHAVGNHLLKKNPNAKVVYLHSERFVADMVKALQLNAINEFKRFY-RSVDALLIDDIQFFARKER-----SQEEFFHTFNALLE-GGQQVILTSDRYPKEIEGLEERLKS--RFGWGLTVAVEPPELETRVAILMKKAEQAKIELPHDAAFFIAQRIRSNV-RELEGALKRVIAHSHFMG-RPITIELIRESLKDLLALQDKLVSIDNIQRTVAEYYKIKISDLLSKRRSRSVARPRQVAMALSKELTNHSLPEIGVAFGGRDHTTVLHACRKIAQLRESDADIREDYKNLLRTLTT |
2CE7 Chain:A ((11-254)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KRVTFKDVGGAEEAIEELKEVVEFLKDPSKFNRIGARMPKGILLVGPPGTGKTLLARAVAGEA-----NVPFFHISGSDFVELFVGVGAARVRDLFAQAKAHAPCIVFIDEIDAVGRH--DEREQTLNQLLVEMDGFDSKEGIIVMAATNRP----DILDPALLRPGRFD--KKIVVDPPDMLGRKKILEIHTRNKPL-AEDVNLEIIAKRTPGFVGADLENLVNEAALLAAREGRDKITMKDFEEAIDRVILISPAEKRIIAYHEAGHAVVSTVVPNGEPVHRISIIKYLVSRNELLDKLTALLGGRAAEEVVFGDVTSGAANDIERATEIARNMVCQLGMSEELGPLAWG |
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General information:
TITO was launched using:
| RESULT:
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Template: 2CE7.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -113156 for 1756 contacts (-64.4/contact) +
2D Compatibility (PS) -23410 + (NN) -14023 + (LL) 11280
1D Compatibility (HY) -7200 + (ID) 2150
Total energy: -148659.0 ( -84.66 by residue)
QMean score : 0.463
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