A symmetry-related molecule (in an equivalent position to that forming the first interaction described for molecule A) preserves the interaction with Tyr112.1 and Tyr113 on one side, although the side chain for Tyr108 is disordered, and the position of backbone atoms for residues 112.2 and 112.1 is shifted by ˜2Å.
In this work, different protein feature categories including amino acid sequences, domain contents, repeated domains, functional categories, biological process, cellular compartment, disordered regions, and position specific scoring matrix were studied.
In this paper, different features, including amino acid sequences, domain contents, repeated domains, functional categories, biological process, cellular compartment, disordered regions, and Position Specific Scoring Matrix (PSSM), from various sources are extracted and studied.
Both models were energy-minimized and both have the same energy and the same positions for the non-H atoms: the H atoms are disordered over two positions.
Ti(6)(oner)2 one isopropoxide is disordered over two positions in a 60 40 ratio, the CH3 groups of one tBu are disordered over two positions in a 60 40 ratio and one toluene is disordered over two positions in a 50 50, and despite copious recrystallisation efforts the R int was higher than desirable.
In DIAZ2, the oxygen O2A is disordered over two positions with the refined occupancies of 0.792 7): 0.208(7) in the nitroso group.
The terminal ethyl group in compound I is disordered over two positions with refined occupancies of 0.645 & 0.355.
The terminal ethyl group of the compound I is disordered over two positions with the refined occupancies of 0.645 & 0.355.
In DIAZ2, the atom O2A of nitroso group is disordered over two positions with refined occupancies 0.792 7):0.208 7).
The unusual displacement parameter, 0.12 (2) Å2, of H3 suggested to investigate a model in which the hydrogen atom is disordered between two positions in the central N3-H3...N3a hydrogen bond.
