Table 8B
List of putative hydrogen bonds formed by HIS 92 (β-chain) in PDB entry 1A4F 

Atom From bHis92

Contacting Atom

Dist

Surf

Name

Class

Residue

Name

Class

N

III

LEU

88B

O

II

3.0

6.1

O

II

CYS

93B

N

III

2.2

0.9

O

II

HIS

97B

N

III

2.9

21.3

O

II

VAL

98B

N

III

3.0

13.5

O

II

TYR

145B

OH

I

4.0

0.2

ND1

I

LEU

88B

O

II

2.7

18.6

NE2

I

HEM

150B

NC

I

2.9

0.4

NE2

I

HEM

150B

ND

I

2.9

3.0

NE2

I

HEM

150B

NB

I

3.0

0.8

 
Dist  - distance (Å) between the atoms; Surf  - contact surface area (Å2) between the atoms

To define the hydrophobic-hydrophilic properties of the contacting atoms, eight atom classes have been introduced (Sobolev V., Wade R.C., Vriend G. and Edelman M. PROTEINS (1996) 25, 120-129).

Contacts of Structural Units (CSU) were derived with CSU (Sobolev V., Sorokine A., Prilusky J., Abola E.E. and Edelman M. (1999) Automated analysis of interatomic contacts in proteins. Bioinformatics, 15, 327-332). <http://bip.weizmann.ac.il/oca-bin/csu?PDB_ID=1a4f#ref1>

I

Hydrophilic    

N and O that can donate and accept hydrogen bonds (e.g., oxygen of

hydroxyl group of Ser. or Thr)

II

Acceptor       

N or O that can only accept a hydrogen bond

III

Donor          

N that can only donate a hydrogen bond

IV

Hydrophobic    

Cl, Br, I and all C atoms that are not in aromatic rings and do not have

a covalent bond to a N or O atom

V

Aromatic        

C in aromatic rings irrespective of any other bonds formed by the atom

VI

Neutral        

C atoms that have a covalent bond to at least one atom of class 1 or two

or more atoms from class 2 or 3; N if it has covalent bonds with 3 carbon

VII

Neutral-donor  

C atoms that have a covalent bond with only one atom of class III

VIII

Neutral-acceptor

C atoms that have a covalent bond with only one atom of class II