The following table, published in JMB 285:1711-33 (1999) {PDF 1.4MB},, describes 100 protein structures with all H atoms added & optimized by Reduce and various minor corrections made, including 180° flips of sidechain amides where needed. They were chosen for high resolution (0.8 to 1.7 Å), nonhomology, wildtype sequence, etc; those marked with 'Y' have structure factors available from the PDB. The link on a filename will download the full PDB-format coordinate file, in a zip compressed file format, with all H atoms and header comments about any changes made. To download all 100 PDB files as a tarball (tared, g'zipped archive) use this link:   top100H.tgz (7 MB)

Abbreviations used for tertiary structure types are: aEF, helical E-F hand; 4hx, four-helix bundle; aHb, globin fold; a hp, multihelix-hairpin; ba8, TIM barrel; b ud, up&down beta barrel; Gkb, Greek key beta barrel; tref, beta trefoil; olb, beta oligo-binding fold; smS, small SS-rich; smM, small metal-rich.

ClSc is the clashscore (number of atomic overlaps >0.4 Å per 1000 atoms), after adjustments described above;
Sc is overall score (contact + Hbond - clash) for the structure.

DB ID	sf?	Resol	Rc	refPgm	struct	#aa	Protein name	comments	ClSc	Sc
1etmH		0.89	6.5	FMLS/VP	smS	13	ht-stab enterotoxin	H, aniso	0.0	34
1lkkH		1.0	13.3	ShelX	b	105	Tyr kinase SH2	aniso, H	11.4	63
2erlH	Y	1.0	12.9	ShelX	smS	40	pheromone ER-1	H, aniso	16.7	41
1bpiH	Y	1.1	14.6	ShelX	smS	58	BPTI	125°K (H refined)	14.8	65
1cnrH		1.05	10.5	ProLSQ	smS	46	crambin, no seq het	H 150°K	0.0	58
1ctjH	Y	1.1	13.8	ShelX	smM	89	Cytochrome C6	aniso (H refined)	8.7	55
1igdH	Y	1.1	19.3	ProL,Xpl	b	61	protein G		5.7	59
1iroH		1.1	9.0	ShelX	smS	54	rubredoxin, Clostr	H, aniso	16.1	61
1rgeAH	Y	1.15	10.9	ShelX	b	96	RNAse SA	H, aniso	2.4	65
1ifcH		1.19	16.9	Xpl,TNT	b ud	132	fatty-acid bdg,intes.	2 conf's	10.4	46
1ammH		1.2	18.5	Restrain	Gkb	174	gamma-B-crystallin	150°K	19.8	79
1arbH		1.2	14.9	ProLSQ	Gkb	268	achromobact protease		4.6	73
1cseH		1.2	17.8	EREF	a/b,sm	274,71	subtilisin/eglin		30.9	56
1jbcH	Y	1.2	11.8	ShelX	Gkb	237	concanavalin A	120°K (H refined)	4.8	72
1notH		1.2	17.8	Xplor	smS	13	G1-alpha conotoxin		0.0	47
1cusH		1.25	15.8	Xplor	a/b	200	cutinase	H (polar)	0.6	65
7rsaH	Y	1.26	15.0	ProLSQ	b	124	RNAse A	H,D	0.0	68
1fusH		1.3	18.7	ProLSQ	b	106	RNAse F1	(10% to 1rge)	6.1	63
1ptxH		1.3	14.8	Xpl,ProL	smS	64	potent toxin		7.0	66
1rroH		1.3	17.6	ProLSQ	aEF	108	rat oncomodulin		11.2	55

DB ID	sf?	Reso.(Å)	Rc	refPgm	struct	#aa	Protein name	comments	ClSc	Sc
1aacH	Y	1.31	15.5	Xplor	Gkb	105	amicyanin	(26% to 1plc)	5.1	60
1plcH		1.33	15.0	ProLSQ	Gkb	99	plastocyanin	H	14.3	56
4ptpH		1.34	17.1	ProLSQ	Gkb	223	b-trypsin/DIFP	(like 1arb)	18.8	58
5p21H		1.35	19.6	Xplor	a/b	166	P21 ras		7.8	57
1benABH		1.4	15.4	ProFFT	smS	21+30	insulin	H	21.4	44
1rcfH	Y	1.4	13.9	Xpl,ShlX	a/b	169	flavodoxin,anabaena	H	14.9	65
1sgpIH		1.4	17.1	TNT	smS	51	(SGPB)/ovomucoid inhib		30.0	59
1xyzAH		1.4	18.3	Xplor	ba8	347	xylanase		10.9	61
256bAH	Y	1.4	16.4	ProLSQ	4hx	106	Cyt B562		17.7	54
2ctcH	Y	1.4	16.1	ProLSQ	a/b	307	CPAse A		10.4	71
2ihlH		1.4	16.5	ProLSQ	a	129	quail lysozyme		16.9	63
2olbH	Y	1.4	18.3	ProLSQ	a/b,b	517	oligo-pept bdg prot	123°K	15.9	75
2phyH		1.4	18.6	Xplor	b	125	phot. yellow protein		8.7	54
3ebxH	Y	1.4	14.0	ProLSQ	smS	62	erabutoxin		5.5	51
3sdhAH	Y	1.4	15.9	Xpl,ProL	aHb	146	clam Hb (homodimer)		11.0	55
bio1RPOH		1.4	18.9	Xplor	4hx	(2x)61	ROP protein dimer, mut		14.3	48
2endH		1.45	16.1	ProLSQ	a	138	endonuclease V		18.7	57
2rn2H		1.48	19.5	ProLSQ	b	155	RNAse H		17.2	51
1xsoAH		1.49	10.4	Xpl,ShlX	Gkb	150	CuZn SOD, Xenopus		2.9	62
8abpH		1.49	17.5	ProLSQ	a/b	306	arabinose-bdg prot		10.7	62

DB ID	sf?	Reso.(Å)	Rc	refPgm	struct	#aa	Protein name	comments	ClSc	Sc
1ckaH	Y	1.5	17.4	Xplor	b	57	c-crk SH3 dom	113°K H (polar)	10.6	69
1edmBH		1.5	15.7	Xplor	smS	39	Factor IX EGF		3.6	49
1ezmH		1.5	17.6	Xplor	b,a	301	Zn elastase,Psdomon		5.5	66
1isuAH		1.5	17.3	TNT	smM	62	HiPIP		2.2	56
1lucBH		1.5	18.2	TNT	ba8	324	Luciferase	113°K	11.8	71
1mlaH		1.5	18.4	Xplor	a/b,b	309	malonyl CoA carrier		7.0	63
1poaH		1.5	14.3	Xpl,PrFF	smS	118	P-lipase A2, cobra		10.8	60
1rieH	Y	1.5	18.7	Xplor	smM	129	Rieske Fe-S protein	100°K	11.4	64
1whiH		1.5	18.9	Xplor	b ud	122	L14 ribosomal protein		15.4	48
2mcmH	Y	1.5	16.2	ProLSQ	Gkb	112	macromycin		14.7	51
3b5cH	Y	1.5	16.0	ProL,PrFF	4hx	93	Cytochrome B5		10.7	63
2cbaH		1.54	15.1	ProFFT	a/b	260	carbonic anhydrase II		8.3	63
3grsH		1.54	18.6	TNT	a/b	478	glutath reduct		16.5	54
1litH		1.55	18.0	Xplor	b	144	pancr. stone inhib.	113°K	17.8	60
1ra9H	Y	1.55	16.9	TNT	a/b	159	DHFR, E coli		18.5	54
1tcaH		1.55	15.7	Xplor	a/b	317	lipase (Candida)		6.2	64
1hfcH		1.56	17.4	Xpl,ProL	b	169	fibrobl collagenase		10.2	62
1adsH		1.6	20.0	Xplor	ba8	315	aldose reductase		13.6	64
1aruH		1.6	17.8	Xplor	a	344	fungal peroxidase		12.7	66
1bkfH	Y	1.6	18.7	Xplor	b	107	FK506-binding protein		13.1	55

DB ID	sf?	Reso.(Å)	Rc	refPgm	struct	#aa	Protein name	comments	ClSc	Sc
1dadH		1.6	18.3	Xplor	a/b	224	dethiobiotin synth/ADP		9.1	56
1lamH		1.6	17.2	Xplor	a/b	484	Leu aminopept (2 Zn)	123°K	10.2	67
1mctIH	Y	1.6	16.7	Xplor	smS	28	squash trypsin inhib	H (polar)	12.6	39
1mrjH	Y	1.6	17.3	Xplor	~a/b	247	trichosanthin/ade	H (polar)	14.3	55
1nfpH		1.6	17.5	ProLSQ	~ba8	228	LuxF flavoprot		14.6	58
1nifH		1.6	17.5	Xplor	Gkb	340	nitrite reductase	some H	15.6	52
1phbH		1.6	19.0	ProLSQ	a	414	Cyt P450/camphor		28.8	49
1ptfH		1.6	15.6	Xpl,ProL	b	88	His P-carrier		13.2	54
1smdH	Y	1.6	18.4	ProLSQ	ba8	496	salivary amylase		15.3	66
1xicH		1.6	15.2	ProLSQ	ba8	388	xylose isom/xylose		5.2	62
2ayhH	Y	1.6	14.3	TNT	Gkb	214	beta glucanase		10.1	68
2er7H		1.6	14.2	Restrain	b	330	endothiapepsin		14.5	63
2rheH		1.6	14.9	rst rc-sp	Gkb	114	Rhe VL dimer		21.3	48
3pteH		1.6	14.8	Xplor	a/b	349	D-Ala transpept		7.8	70
451cH	Y	1.6	18.7	EREF	smM	82	Cyt C551, red	(23% to 1ctj)	11.8	54
4fgfH		1.6	16.1	TNT	tref	149	fibroblast growth F		24	49
1akyH	Y	1.63	19.4	Xplor	a/b	221	adenyl kinase	H (polar)	11.3	53
2cplH		1.63	18.0	Xplor	b	165	cyclophilin		6.3	64
1kapH		1.64	18.5	Xplor	b hx	479	alk protease/Zn/8Ca,	some H	6.4	65
1cemH		1.65	16.2	Xplor	a hp	363	cellulase	(hlx hp ring)	3.0	72

DB ID	sf?	Reso.(Å)	Rc	refPgm	struct	#aa	Protein name	comments	ClSc	Sc
1cnvH		1.65	17.2	Xplor	ba8	299	concanavalin B	(~ chitinase)	8.0	58
1phpH	Y	1.65	15.6	Xpl,ProL	a/b	394	P-glyc kinase		9.8	57
1sncH	Y	1.65	16.1	ProLSQ	olb	149	Staph nuclease		44.0	35
1sriAH		1.65	17.5	ProL,FFT	b ud	121	streptavidin/haba		37.1	34
bio2WRPH		1.65	18.0	ProL,FFT	a	(2x)107	Trp repressor		18.9	47
1cpcBH		1.66	18.1	EREF	aHb	172	phycocyanin		23.5	49
3chyH	Y	1.66	15.1	ProFFT	a/b	128	che Y		19.0	50
2ccyAH	Y	1.67	18.8	ProLSQ	4hx	128	Cytochrome C'	(16% to 256b)	14.0	48
1osaH		1.68	19.4	Xplor	aEF	148	calmodulin	(27% to 1rro)	9.8	47
2trxAH		1.68	16.5	ProFFT	a/b	108	thioredoxin		6.1	55
2hftH	Y	1.69	20.4	ProL,Xpl	Gkb	218	tissue factor	(18% to 2rhe)100°K	12.5	54
2mhrH	Y	1.7/1.3	15.8	ProLSQ	4hx	118	myohemerythrin	H	12.6	56
1difH		1.7	19.8	Xplor	b	(2x)99	HIV protease dimer	H	7.6	54
1fncH		1.7	14.9	TNT	a/b,b	314	ferredoxin reductase		24.8	50
1fxdH		1.7	15.7	ProFFT	SmM	58	ferredoxin II, Fe3S4		8.9	54
1knbH		1.7	15.8	Xplor	b	196	adenovirus knob domain	H (polar)	8.6	56
1ttaAH		1.7	16.8	ProLsq	Gkb	127	transthyretin		19.8	39
2bopAH		1.7	20.1	ProL,Xpl	b	85	papil'virus E2 transcr		22.9	46
2msbAH	Y	1.7	17.4	Xplor	b	115	mannose-binding prot		11.7	63
3lzmH		1.7	15.7	TNT	b,a	164	T4 lysozyme		9.6	60