Fluorine in PDB 6nqk: Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Fy)

The structure of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Fy), PDB code: 6nqk was solved by C.-Y.Lin, M.G.Romei, I.I.Mathews, S.G.Boxer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.76 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	81.750, 86.480, 143.810, 90.00, 94.89, 90.00
R / Rfree (%)	19.5 / 22.2

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Fluorine atom in the Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Fy) (pdb code 6nqk). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 16 binding sites of Fluorine where determined in the Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Fy), PDB code: 6nqk:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 16 in the Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Fy)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Fy) within 5.0Å range: probe atom residue distance (Å) B Occ A:F63 b:44.1 occ:0.57 F A:KZV63 0.0 44.1 0.6 CE1 A:KZV63 1.2 36.7 0.4 CE2 A:KZV63 1.4 36.5 0.6 CZ A:KZV63 2.1 36.2 0.4 CD1 A:KZV63 2.3 35.9 0.4 CZ A:KZV63 2.4 35.3 0.6 CD2 A:KZV63 2.4 35.8 0.6 OH A:KZV63 2.5 34.4 0.4 OH A:KZV63 2.8 30.1 0.6 CB A:ILE195 2.8 38.9 1.0 CG2 A:ILE195 2.8 41.7 1.0 O A:HOH315 2.9 35.0 1.0 CE2 A:KZV63 3.3 35.0 0.4 N A:ILE195 3.3 37.7 1.0 CG2 A:KZV63 3.5 35.6 0.4 CE1 A:KZV63 3.6 35.2 0.6 CG2 A:KZV63 3.6 35.1 0.6 CA A:ILE195 3.6 37.6 1.0 CB A:HIS193 3.7 42.5 1.0 CD2 A:KZV63 3.9 35.1 0.4 CG1 A:ILE195 4.0 43.4 1.0 C A:HIS194 4.0 35.6 1.0 CG A:GLU211 4.1 47.0 1.0 CD1 A:KZV63 4.1 35.2 0.6 CD1 A:ILE195 4.1 38.1 1.0 N A:HIS194 4.2 32.6 1.0 CG A:HIS193 4.4 36.1 1.0 OE1 A:GLU211 4.4 49.5 1.0 CA A:HIS194 4.4 33.2 1.0 ND1 A:HIS193 4.4 33.6 1.0 F A:KZV63 4.4 32.3 0.4 CG2 A:THR59 4.5 34.3 1.0 CD A:GLU211 4.5 48.7 1.0 C A:HIS193 4.6 41.4 1.0 CA A:HIS193 4.7 40.2 1.0 O A:HOH323 4.8 33.1 1.0 O A:HIS194 4.8 33.5 1.0 CB2 A:KZV63 4.8 38.4 0.4 C A:ILE195 4.9 41.7 1.0 CB2 A:KZV63 4.9 38.3 0.6 N2 A:KZV63 5.0 36.4 0.4 N2 A:KZV63 5.0 36.2 0.6 OG A:SER142 5.0 38.0 1.0

Fluorine binding site 2 out of 16 in the Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Fy)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Fy) within 5.0Å range: probe atom residue distance (Å) B Occ A:F63 b:32.3 occ:0.43 F A:KZV63 0.0 32.3 0.4 CE1 A:KZV63 1.2 35.2 0.6 CE2 A:KZV63 1.4 35.0 0.4 CZ A:KZV63 2.1 35.3 0.6 CD2 A:KZV63 2.4 35.1 0.4 CZ A:KZV63 2.4 36.2 0.4 OH A:KZV63 2.4 30.1 0.6 CD1 A:KZV63 2.4 35.2 0.6 OH A:KZV63 2.8 34.4 0.4 OG A:SER142 2.8 38.0 1.0 CE2 A:KZV63 3.4 36.5 0.6 CG2 A:KZV63 3.6 35.1 0.6 CE1 A:KZV63 3.6 36.7 0.4 CG2 A:KZV63 3.6 35.6 0.4 CG1 A:VAL157 3.7 41.5 1.0 CB A:SER142 3.8 37.6 1.0 CD2 A:HIS193 3.9 31.6 1.0 CG2 A:VAL157 3.9 48.6 1.0 CE2 A:PHE173 3.9 41.0 1.0 CD2 A:KZV63 4.0 35.8 0.6 CG A:HIS193 4.0 36.1 1.0 O A:HOH323 4.0 33.1 1.0 CD2 A:PHE173 4.1 39.9 1.0 CD1 A:KZV63 4.1 35.9 0.4 CB A:HIS193 4.2 42.5 1.0 CB A:VAL157 4.3 51.2 1.0 F A:KZV63 4.4 44.1 0.6 NE2 A:HIS193 4.5 38.6 1.0 ND1 A:HIS193 4.6 33.6 1.0 CB2 A:KZV63 4.9 38.4 0.4 CE1 A:HIS193 4.9 37.9 1.0 CB2 A:KZV63 4.9 38.3 0.6 CG2 A:THR159 4.9 30.9 1.0 CZ A:PHE173 4.9 36.1 1.0

Fluorine binding site 3 out of 16 in the Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Fy)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Fy) within 5.0Å range: probe atom residue distance (Å) B Occ B:F63 b:40.9 occ:0.38 F B:KZV63 0.0 40.9 0.4 CE1 B:KZV63 1.2 34.0 0.6 CE2 B:KZV63 1.4 34.4 0.4 CZ B:KZV63 2.2 35.9 0.6 CD1 B:KZV63 2.3 34.9 0.6 CZ B:KZV63 2.4 35.4 0.4 CD2 B:KZV63 2.4 35.0 0.4 OH B:KZV63 2.6 36.8 0.6 OH B:KZV63 2.8 34.4 0.4 CB B:ILE195 2.8 35.7 1.0 CG2 B:ILE195 2.9 35.6 1.0 O B:HOH326 3.0 29.4 1.0 N B:ILE195 3.3 37.9 1.0 CE2 B:KZV63 3.4 36.4 0.6 CG2 B:KZV63 3.5 38.2 0.6 CA B:ILE195 3.6 36.2 1.0 CB B:HIS193 3.6 43.1 1.0 CE1 B:KZV63 3.6 36.1 0.4 CG2 B:KZV63 3.6 37.8 0.4 CD2 B:KZV63 3.9 37.8 0.6 CG B:GLU211 3.9 46.6 1.0 C B:HIS194 3.9 41.7 1.0 CG1 B:ILE195 4.0 36.5 1.0 N B:HIS194 4.1 38.7 1.0 CD1 B:KZV63 4.1 37.6 0.4 CD1 B:ILE195 4.1 39.1 1.0 CG B:HIS193 4.3 39.3 1.0 CA B:HIS194 4.3 38.8 1.0 CD B:GLU211 4.4 46.8 1.0 ND1 B:HIS193 4.4 39.2 1.0 OE1 B:GLU211 4.5 46.0 1.0 CG2 B:THR59 4.5 38.6 1.0 F B:KZV63 4.5 37.9 0.6 C B:HIS193 4.5 42.2 1.0 CA B:HIS193 4.6 36.6 1.0 O B:HIS194 4.7 45.1 1.0 CB2 B:KZV63 4.8 39.6 0.6 C B:ILE195 4.9 38.1 1.0 O B:HOH322 4.9 39.5 1.0 CB2 B:KZV63 4.9 38.8 0.4 N2 B:KZV63 4.9 34.0 0.6 N2 B:KZV63 5.0 34.8 0.4

Fluorine binding site 4 out of 16 in the Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Fy)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Fy) within 5.0Å range: probe atom residue distance (Å) B Occ B:F63 b:37.9 occ:0.62 F B:KZV63 0.0 37.9 0.6 CE1 B:KZV63 1.3 36.1 0.4 CE2 B:KZV63 1.4 36.4 0.6 CZ B:KZV63 2.2 35.4 0.4 CZ B:KZV63 2.4 35.9 0.6 CD2 B:KZV63 2.4 37.8 0.6 CD1 B:KZV63 2.4 37.6 0.4 OH B:KZV63 2.5 34.4 0.4 OH B:KZV63 2.8 36.8 0.6 OG B:SER142 2.9 37.7 1.0 CE2 B:KZV63 3.4 34.4 0.4 CG2 B:KZV63 3.6 37.8 0.4 CE1 B:KZV63 3.6 34.0 0.6 CG2 B:KZV63 3.6 38.2 0.6 CG1 B:VAL157 3.7 42.7 1.0 CG2 B:VAL157 3.7 44.7 1.0 CB B:SER142 3.8 32.3 1.0 CE2 B:PHE173 3.9 38.6 1.0 CD2 B:HIS193 3.9 33.8 1.0 CD2 B:KZV63 4.0 35.0 0.4 O B:HOH322 4.1 39.5 1.0 CG B:HIS193 4.1 39.3 1.0 CD2 B:PHE173 4.1 36.2 1.0 CD1 B:KZV63 4.1 34.9 0.6 CB B:VAL157 4.2 46.6 1.0 CB B:HIS193 4.2 43.1 1.0 F B:KZV63 4.5 40.9 0.4 NE2 B:HIS193 4.6 35.1 1.0 ND1 B:HIS193 4.8 39.2 1.0 CG2 B:THR159 4.8 30.7 1.0 CZ B:PHE173 4.9 33.3 1.0 CB2 B:KZV63 4.9 39.6 0.6 CB2 B:KZV63 4.9 38.8 0.4

Fluorine binding site 5 out of 16 in the Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Fy)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Fy) within 5.0Å range: probe atom residue distance (Å) B Occ C:F63 b:24.5 occ:0.28 F C:KZV63 0.0 24.5 0.3 CE1 C:KZV63 1.2 24.0 0.7 CE2 C:KZV63 1.4 28.6 0.3 CZ C:KZV63 2.2 30.0 0.7 CD1 C:KZV63 2.3 32.0 0.7 CZ C:KZV63 2.4 30.2 0.3 CD2 C:KZV63 2.4 31.0 0.3 OH C:KZV63 2.6 31.2 0.7 OH C:KZV63 2.8 31.3 0.3 CB C:ILE195 2.8 30.0 1.0 CG2 C:ILE195 2.9 27.7 1.0 O C:HOH352 3.1 33.1 1.0 N C:ILE195 3.3 31.8 1.0 CE2 C:KZV63 3.5 32.2 0.7 CG2 C:KZV63 3.5 30.0 0.7 CA C:ILE195 3.6 29.4 1.0 CE1 C:KZV63 3.6 31.1 0.3 CG2 C:KZV63 3.6 30.4 0.3 CB C:HIS193 3.7 26.1 1.0 CG1 C:ILE195 3.9 32.6 1.0 CD2 C:KZV63 4.0 27.4 0.7 C C:HIS194 4.0 38.0 1.0 CD1 C:ILE195 4.0 30.2 1.0 CG C:GLU211 4.1 35.1 1.0 CD1 C:KZV63 4.1 29.3 0.3 N C:HIS194 4.2 35.2 1.0 CG2 C:THR59 4.4 28.1 1.0 CG C:HIS193 4.4 24.2 1.0 CA C:HIS194 4.4 35.4 1.0 OE1 C:GLU211 4.5 35.9 1.0 ND1 C:HIS193 4.5 30.1 1.0 CD C:GLU211 4.6 41.0 1.0 C C:HIS193 4.6 29.5 1.0 F C:KZV63 4.6 36.3 0.7 O C:HOH319 4.7 32.5 1.0 CA C:HIS193 4.7 32.5 1.0 O C:HIS194 4.7 38.8 1.0 CB2 C:KZV63 4.8 33.5 0.7 C C:ILE195 4.9 28.6 1.0 OG C:SER142 4.9 29.4 1.0 CB2 C:KZV63 4.9 32.8 0.3 N2 C:KZV63 4.9 33.3 0.7 N2 C:KZV63 5.0 33.1 0.3

Fluorine binding site 6 out of 16 in the Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Fy)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Fy) within 5.0Å range: probe atom residue distance (Å) B Occ C:F63 b:36.3 occ:0.72 F C:KZV63 0.0 36.3 0.7 CE1 C:KZV63 1.3 31.1 0.3 CE2 C:KZV63 1.4 32.2 0.7 CZ C:KZV63 2.2 30.2 0.3 CD1 C:KZV63 2.3 29.3 0.3 CD2 C:KZV63 2.4 27.4 0.7 CZ C:KZV63 2.4 30.0 0.7 OH C:KZV63 2.6 31.3 0.3 OH C:KZV63 2.8 31.2 0.7 OG C:SER142 3.0 29.4 1.0 CG1 C:VAL157 3.4 34.1 1.0 CE2 C:KZV63 3.5 28.6 0.3 CG2 C:KZV63 3.6 30.4 0.3 CG2 C:KZV63 3.6 30.0 0.7 CE1 C:KZV63 3.6 24.0 0.7 CG2 C:VAL157 3.7 29.1 1.0 CE2 C:PHE173 3.8 34.8 1.0 CD2 C:PHE173 4.0 31.7 1.0 CB C:SER142 4.0 29.5 1.0 CD2 C:HIS193 4.0 28.3 1.0 CD2 C:KZV63 4.0 31.0 0.3 CB C:VAL157 4.1 35.0 1.0 CD1 C:KZV63 4.1 32.0 0.7 O C:HOH319 4.2 32.5 1.0 CG C:HIS193 4.2 24.2 1.0 CB C:HIS193 4.4 26.1 1.0 F C:KZV63 4.6 24.5 0.3 NE2 C:HIS193 4.6 33.5 1.0 CG2 C:THR159 4.6 30.7 1.0 CZ C:PHE173 4.7 28.8 1.0 CB2 C:KZV63 4.8 32.8 0.3 CB2 C:KZV63 4.9 33.5 0.7 ND1 C:HIS193 4.9 30.1 1.0 CG C:PHE173 4.9 28.5 1.0

Fluorine binding site 7 out of 16 in the Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Fy)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Fy) within 5.0Å range: probe atom residue distance (Å) B Occ D:F63 b:28.9 occ:0.32 F D:KZV63 0.0 28.9 0.3 CE1 D:KZV63 1.2 24.9 0.7 CE2 D:KZV63 1.4 28.4 0.3 CZ D:KZV63 2.1 31.2 0.7 CD1 D:KZV63 2.3 25.1 0.7 CZ D:KZV63 2.4 31.5 0.3 CD2 D:KZV63 2.4 27.4 0.3 OH D:KZV63 2.6 28.2 0.7 OH D:KZV63 2.8 28.6 0.3 CB D:ILE195 2.8 38.2 1.0 CG2 D:ILE195 2.8 29.7 1.0 O D:HOH354 3.1 30.2 1.0 N D:ILE195 3.3 31.1 1.0 CE2 D:KZV63 3.4 30.4 0.7 CG2 D:KZV63 3.5 30.1 0.7 CA D:ILE195 3.6 34.5 1.0 CE1 D:KZV63 3.6 31.2 0.3 CG2 D:KZV63 3.6 29.4 0.3 CB D:HIS193 3.7 27.4 1.0 CD2 D:KZV63 3.9 30.6 0.7 CG1 D:ILE195 4.0 34.9 1.0 C D:HIS194 4.0 38.2 1.0 CD1 D:ILE195 4.1 29.2 1.0 CD1 D:KZV63 4.1 30.0 0.3 CG D:GLU211 4.2 31.9 1.0 N D:HIS194 4.2 31.0 1.0 CG D:HIS193 4.4 34.0 1.0 CG2 D:THR59 4.4 32.4 1.0 CA D:HIS194 4.4 41.7 1.0 ND1 D:HIS193 4.4 35.5 1.0 O D:HOH304 4.5 29.7 1.0 F D:KZV63 4.5 38.9 0.7 C D:HIS193 4.6 31.4 1.0 OE1 D:GLU211 4.6 38.9 1.0 CD D:GLU211 4.6 43.2 1.0 CA D:HIS193 4.7 29.4 1.0 O D:HIS194 4.8 32.9 1.0 CB2 D:KZV63 4.8 28.7 0.7 C D:ILE195 4.9 36.5 1.0 CB2 D:KZV63 4.9 29.8 0.3 N2 D:KZV63 5.0 30.7 0.7 N2 D:KZV63 5.0 31.9 0.3 OG D:SER142 5.0 29.9 1.0

Fluorine binding site 8 out of 16 in the Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Fy)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Fy) within 5.0Å range: probe atom residue distance (Å) B Occ D:F63 b:38.9 occ:0.68 F D:KZV63 0.0 38.9 0.7 CE1 D:KZV63 1.3 31.2 0.3 CE2 D:KZV63 1.4 30.4 0.7 CZ D:KZV63 2.2 31.5 0.3 CD2 D:KZV63 2.4 30.6 0.7 CZ D:KZV63 2.4 31.2 0.7 CD1 D:KZV63 2.4 30.0 0.3 OH D:KZV63 2.5 28.6 0.3 OH D:KZV63 2.8 28.2 0.7 OG D:SER142 2.9 29.9 1.0 CE2 D:KZV63 3.4 28.4 0.3 CG1 D:VAL157 3.6 36.5 1.0 CG2 D:KZV63 3.6 29.4 0.3 CG2 D:VAL157 3.6 35.3 1.0 CE1 D:KZV63 3.6 24.9 0.7 CG2 D:KZV63 3.6 30.1 0.7 CB D:SER142 3.9 27.6 1.0 O D:HOH304 3.9 29.7 1.0 CE2 D:PHE173 3.9 35.3 1.0 CD2 D:KZV63 4.0 27.4 0.3 CD2 D:PHE173 4.1 39.7 1.0 CD2 D:HIS193 4.1 36.8 1.0 CD1 D:KZV63 4.1 25.1 0.7 CB D:VAL157 4.1 37.4 1.0 CG D:HIS193 4.2 34.0 1.0 CB D:HIS193 4.4 27.4 1.0 F D:KZV63 4.5 28.9 0.3 CG2 D:THR159 4.6 27.5 1.0 NE2 D:HIS193 4.7 38.5 1.0 CZ D:PHE173 4.8 34.5 1.0 CB2 D:KZV63 4.9 28.7 0.7 ND1 D:HIS193 4.9 35.5 1.0 CB2 D:KZV63 4.9 29.8 0.3

Fluorine binding site 9 out of 16 in the Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Fy)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Fy) within 5.0Å range: probe atom residue distance (Å) B Occ E:F63 b:35.5 occ:0.41 F E:KZV63 0.0 35.5 0.4 CE1 E:KZV63 1.2 33.4 0.6 CE2 E:KZV63 1.4 34.5 0.4 CZ E:KZV63 2.2 37.7 0.6 CD1 E:KZV63 2.3 33.4 0.6 CZ E:KZV63 2.4 37.5 0.4 CD2 E:KZV63 2.4 33.4 0.4 OH E:KZV63 2.6 38.6 0.6 OH E:KZV63 2.8 38.2 0.4 CB E:ILE195 2.8 39.0 1.0 CG2 E:ILE195 2.9 31.1 1.0 O E:HOH365 3.1 34.7 1.0 N E:ILE195 3.3 39.9 1.0 CE2 E:KZV63 3.5 35.9 0.6 CG2 E:KZV63 3.5 34.6 0.6 CA E:ILE195 3.6 37.7 1.0 CB E:HIS193 3.6 33.1 1.0 CE1 E:KZV63 3.6 35.6 0.4 CG2 E:KZV63 3.6 34.8 0.4 C E:HIS194 3.9 36.8 1.0 CD2 E:KZV63 4.0 35.5 0.6 CG E:GLU211 4.0 39.2 1.0 CG1 E:ILE195 4.0 38.7 1.0 N E:HIS194 4.1 30.2 1.0 CD1 E:KZV63 4.1 35.5 0.4 CD1 E:ILE195 4.1 27.9 1.0 CG E:HIS193 4.3 35.5 1.0 CA E:HIS194 4.4 31.0 1.0 ND1 E:HIS193 4.4 37.0 1.0 OE1 E:GLU211 4.4 41.5 1.0 CD E:GLU211 4.5 48.9 1.0 CG2 E:THR59 4.5 31.8 1.0 C E:HIS193 4.5 30.1 1.0 F E:KZV63 4.6 34.7 0.6 CA E:HIS193 4.6 28.1 1.0 O E:HIS194 4.7 33.5 1.0 O E:HOH314 4.7 32.5 1.0 CB2 E:KZV63 4.8 34.9 0.6 C E:ILE195 4.9 39.3 1.0 CB2 E:KZV63 4.9 35.4 0.4 N2 E:KZV63 5.0 38.0 0.6 N2 E:KZV63 5.0 37.7 0.4

Fluorine binding site 10 out of 16 in the Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Fy)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Fy) within 5.0Å range: probe atom residue distance (Å) B Occ E:F63 b:34.7 occ:0.59 F E:KZV63 0.0 34.7 0.6 CE1 E:KZV63 1.3 35.6 0.4 CE2 E:KZV63 1.4 35.9 0.6 CZ E:KZV63 2.2 37.5 0.4 CD2 E:KZV63 2.4 35.5 0.6 CD1 E:KZV63 2.4 35.5 0.4 CZ E:KZV63 2.4 37.7 0.6 OH E:KZV63 2.6 38.2 0.4 OH E:KZV63 2.8 38.6 0.6 OG E:SER142 2.9 37.7 1.0 CE2 E:KZV63 3.5 34.5 0.4 CG1 E:VAL157 3.6 36.7 1.0 CG2 E:KZV63 3.6 34.8 0.4 CG2 E:KZV63 3.6 34.6 0.6 CE1 E:KZV63 3.6 33.4 0.6 CG2 E:VAL157 3.7 34.9 1.0 CE2 E:PHE173 3.9 35.2 1.0 CB E:SER142 3.9 27.2 1.0 CD2 E:HIS193 4.0 34.8 1.0 O E:HOH314 4.0 32.5 1.0 CD2 E:KZV63 4.0 33.4 0.4 CD2 E:PHE173 4.1 34.1 1.0 CD1 E:KZV63 4.1 33.4 0.6 CG E:HIS193 4.2 35.5 1.0 CB E:VAL157 4.2 35.7 1.0 CB E:HIS193 4.4 33.1 1.0 NE2 E:HIS193 4.6 38.8 1.0 CG2 E:THR159 4.6 29.9 1.0 F E:KZV63 4.6 35.5 0.4 ND1 E:HIS193 4.8 37.0 1.0 CZ E:PHE173 4.8 32.5 1.0 CB2 E:KZV63 4.9 34.9 0.6 CB2 E:KZV63 4.9 35.4 0.4

M.G.Romei, C.-Y.Lin, I.I.Mathews, S.G.Boxer. Electrostatic Control of Isomerization Pathways in Proteins To Be Published.