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However, the specific contacts differ substantially between the two complexes.
An interesting interconversion between the two complexes was observed in aqueous solution.
As a result, it can be concluded that no conformational difference between the two complexes is observed.
The only difference between the two complexes is the chloro substitution present in complex 3. Complexes 2 and 4 differ only by the chloro/bromo substitution in the thiophene ring.
In the area between the two complexes, there is some amount of gabbro.
In particular, Huang and colleagues analyzed the difference distance matrix between the two complexes for gp120 residues surrounding the hot spot residue Phe43 of CD4.
Similar(21)
The root-mean-square deviation between the two complex structures is 2.86 Å.
The RMS difference of backbone heavy atoms between the two complex structures is 0.54 Å. Lysine residues involved are labeled.
The energy (kJ mol-1) and dipole moments (Debye) indicate the consistency between the two complex calculations in DFT method.
First, to image low-velocity structures, we compute the phase shift Δ ϕ i, j between the two complex OCT signals at the position (i, j).
MHC residue Arg65 underwent a 1.8Å movement between the two complex structures, coupled with a 4.8Å movement in TCRα chain residue Tyr51 (Fig. 3D).
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