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Although the present QTAIM calculations have not been performed on stationary structures (only the H positions have been optimized), we have looked for BPs (or, more correctly for non-equilibrium structures, atomic interaction lines) between the U atom and a H atom attached to C10.
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In this case, flipping the upper ring system and rotating the amide group would remove the collision between interaction lines and the ligand structure diagram.
QTAIM analysis finds that while there is no U=H atomic interaction line in the structures between ambient and 2.3 GPa, one appears at 3.2 GPa, suggesting a pressure-induced U=H=C agostic interaction in 1. Figure 3 a shows the QTAIM molecular graph (MG) of 1 at 0 GPa.
b Distances (dotted lines) and interactions (solid lines) between TSHR Phe6657.40 and Val4211.39 and between Val4241.42 and Leu4682.58 in the inactive conformation (left panel) and active conformation (right panel) of the TSHR TMD L665F mutant.
(C ) Left panel: residue detail of predicted residue residue interactions (dotted lines) between subunit a and b (residue numbers at the boundaries of transmembrane helices in gray).
Significant differences to the rosette EXPni value (FDR <0.05) allowed identifying synergistic interactions (black line) and negative interactions (dashed line) between two transgenic lines.
To account for the possibility that the genome of an inbred line and/or an interaction between line and sex could affect the detection of sex-biased genes, we also ran mixed effects analyses of variance (ANOVAs) where sex was fitted as a fixed effect and line and the sex × line interaction were random effects.
The ANOVA (not shown) indicated that the interaction between lines and environment for photoperiod sensitivity was not significant.
A significant interaction between lines and generation was detected for development time and longevity in all cases (Table 1).
The autonomous/nonautonomous relationship suggests a possible interaction between LINEs and SINEs as they compete with one another for use of needed enzymatic machinery (Brookfield 2005; Le Rouzic and Capy 2006).
Although the risk of bladder cancer associated with low and high levels of LINE-1 methylation was significant among never smokers, the interaction between LINE-1 methylation and smoking status was not significant (P=0.2; Supplementary Table S4).
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