. 2006 Sep 8;362(1):78–88. doi: 10.1016/j.jmb.2006.06.079

Table 2.

van der Waals contacts at the dimer interface

Monomer A	Monomer B	No of contacts
Pro104	Gln333, Gly334⁽²⁾	3
Asp105	Gln333, Gly334⁽²⁾, Gln335⁽⁴⁾, Asn336⁽³⁾	10
Leu106	Gln333	2
Pro158	Val300⁽²⁾, Phe301⁽²⁾	4
Glu180	Gln335	1
Asp181	Phe301, Gln335	2
Glu182	Gln335	4
Arg183	Pro303⁽²⁾, Gln335⁽¹⁰⁾, Asn336	13
Thr185	Asn336	1
Arg189	Gln304	5
Arg272	Pro104, Leu106⁽²⁾, Pro107	4
Glu274	Pro104	1
Arg285	Pro104⁽²⁾, Asp105	3
Val300	Arg183	2
Phe301	Asp105⁽⁴⁾, Arg183	5
Gln335	Asp105⁽²⁾, Leu106, Arg183⁽²⁾, Thr185	6

Potential hydrogen bonds between monomers A and B at the dimer interface
Monomer A	B-factor (Å²)	Monomer B	B-factor (Å²)	Distance D… A (Å)	Angle D–H… A (°)
Asp105 O	25.3	Asn336 Nδ2	23.2	2.9	144.2
Trp184 O	14.9	Asn336 Nδ2	22.1	2.9	167.2
Arg272 Nη1	34.9	Pro104 O	39.8	3.1	151.0
Arg285 Nη1	18.2	Asp105 Oδ1	18.4	3.3	166.3
Glu294 ε1	21.3	Arg146 Nη1	15.2	3.1	124.1
Val300 O	17.5	Arg183 Nη1	20.4	2.9	169.4
Gln335 Nε2	32.3	Asp105 O	18.8	3.3	168.9
Gln335 Nε2	22.6	Trp184 O	22.3	2.8	159.8

Hydrogen bond interactions were identified with the program HBPLUS³¹ The upper limit for the donor–acceptor distance was 3.3 Å, except for contacts involving a sulphur atom (limit 3.6 Å); the lower limit for the donor–hydrogen–acceptor angle is 120°. Bond angles are not given where the hydrogen position is ambiguous. Contact distances are the maximum allowed values of C–C, 4.1 Å; C–N, 3.8 Å; C–O, 3.7 Å; O–O, 3.3 Å; O–N, 3.4 Å; N–N, 3.4 Å; C–S, 4.1 Å; O–S, 3.7 Å; N–S, 3.8 Å. The contact distances were calculated using CONTACT.²⁶