TABLE 4.

φ and ψ torsion angles for CDR H2 residues as part of the motif Xaa-Xaa-Gly-Gly-(Ser/Thr/Gly)

Angles are averaged in cases with multiple molecules in the asymmetric unit. Numbers 52–56 refer to the Kabat numbering scheme of CDR H2 residues, and italicized numerals refer to the position of the residue in a β-turn.

CDR H2 residue dihedral angles (°)										Antibody	Primary sequence	Resolution	Turn type	PDB code
52 or 52A, 0		52A or 53, +1		53 or 54, +2		54 or 55, +3		55 or 56
												Å
φ	ψ	φ	ψ	φ	ψ	φ	ψ	φ	ψ
−71.9	163.0	−32.5	−63.4	−93.4	2.31	86.5	10.5	−67.8	−31.0	S55-3	SNGGS	1.95	IVa	4DQ9
−71.0	167.2	−54.2	−36.4	−100.4	−7.86	91.7	1.64	−80.6	−12.2	S55-5	SRGGS	1.94	I	5DQD
−72.5	168.6	−60.7	−36.3	−88.2	−10.0	78.6	−1.78	−68.0	−37.7	LPT-3	GGGSS	2.69	I	4C83
−79.7	172.0	−57.6	−39.4	−79.1	−4.48	95.5	−8.60	−65.9	155.7	S25-26	WSGGS	1.95	I	4M7J
−62.4	155.8	−62.4	−41.1	−60.6	−47.1	111.7	−19.0	−73.6	−10.3	A10F9 Fab	SSGGS	3.20	III	3VRL
−64.5	155.3	−61.3	−28.0	−98.4	−5.47	90.7	−26.7	−62.2	−41.6	17/9 Fab	SNGGG	2.90	I	1HIM
−71.5	151.3	−51.5	−32.3	−90.2	−8.04	82.2	8.61	−96.8	−5.02	mAb8 Fab	SSGGS	2.85	I	4HZL
−67.8	169.3	−55.9	−42.3	−91.2	0.99	83.2	−0.04	−67.9	−28.6	Anti-parathyroid hormone-related protein	SSGGS	2.00	I	3FFD
−72.1	168.1	−53.2	−32.9	−118.0	16.7	71.8	15.6	−65.8	−33.3	Thr(P)-231/Ser(P)-235	TSRGGb	1.90	I	4GLR
−76.6	168.0	−53.5	−35.3	−80.6	−13.0	80.5	12.9	−103.3	−40.5	pSAb	ATGGH(T)c	1.75	I	4JFZ
−79.7	151.3	−62.4	−63.4	−118.0	−47.1	71.8	−26.7	−100.3	−41.6	Minimum
−62.4	172.0	−32.5	−28.0	−60.6	16.7	111.7	15.6	−62.2	155.7	Maximum
17.3	20.7	29.9	35.4	57.4	63.8	39.9	42.3	38.1	65.9	Difference

^a Turns that do not fall into any known classes are grouped under the miscellaneous type IV class.

^b Outlier in terms of the motif sequence involved in binding to negative charge.

^c The β-turn starts at the alanine residue, but this residue is not involved in recognition of the anion.