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une hélice ? et représentation en tout atome des résidus la composant. A droite, structure en ruban de deux feuillets ? antiparallèles en jaune ainsi que d'une boucle "épingle a cheveu" reliant ces deux feuillets, p.65 ,
Représentation en tout-atome d'un tripeptide ainsi que les modèles grosgrain correspondant 97 Les modèles présentés sont le Rosetta centroid mode (CEN) Le code couleur est le suivant : O rouge, H noir, C cyan, N bleu, pseudo-atomes orange et bleu foncé. Les pseudo-liaisons de distances variables sont représentées sous forme de ressort, p.72 ,
Photos de l'espèce bioluminescente Amydetes viviani à gauche et de l'espèce bioluminescente Phrixothrix hirtus à droite. Crédits photos : Prof, p.99 ,
Les structures sont comparées en superposant les domaines N-terminaux, représentés en bleu cyan, des deux protéines. La protéine GB Av -B est dessinée en ruban bleu, la 2D1R en vert et la 4G37 en orange. Les résidus colorés en rouge, p.100 ,
La structure construite de la GB Av -A-construite est dessinée en ruban bleu de prusse, et la GB Av -A en violet. Les structures sont comparées en superposant les domaines N-terminaux, représentés en bleu cyan, des deux protéines, p.102 ,
du tableau 10.1, superposée avec la structure du système de la luciole 2D1R. Les structures sont comparées en superposant leur domaines N-terminaux. L'OxyLH 2 dans l'image (2) du tableau 10.1 est représentée en tout atomes. De la structure modèle 2D1R, seule OxyLH 2 est représentée en vert pour plus de clarté. Le résidu Ser 245, représenté en CPK correspond à une substitution entre 2D1R (Phe) et GB Av (Ser), p.102 ,
Les structures sont comparées en superposant leur domaines Nterminaux Le résidu Ser 245 et la molécule d'eau ajoutée artificiellement sont représentés en, p.104 ,
B+OxyLH 2 -closed et 2D1R à gauche et de la structure GB Av -Bclosed_w_OxyLH 2 et 2D1R à droite. Les structures sont comparées en superposant les domaines N-terminaux, représentés en bleu cyan, des deux protéines. La protéine GB Av -B+OxyLH 2 -closed est dessiné en ruban bleu foncé, 2D1R en vert et la GB Av -B-closed_w_OxyLH 2 en bleu roi. . . . . . . 106 ,
B+OxyLH 2 -closed de l'image (2) du tableau 10.4, superposée avec la structure du système de la luciole 2D1R. Les structures sont comparées en superposant leur domaines N-terminaux ,
un espace actif 16-in- 14 avec 2 états électroniques, un level shift de 0.1 et un IPEA shift de 0.1. TD-DFT/MM obtenu avec une base 6-311G(2d,p) sur une structure optimisée dans l'état S1 avec la fonctionnelle, p.86 ,
MM avec une base 6-311G(2d,p) sur une structure optimisée dans l'état S1 avec la fonctionnelle indiquée, p.93 ,