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The following table, published in JMB 285:1711-33 (1999) download arrow{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:  download arrow 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
download arrow 1etmH  
0.89
6.5
FMLS/VP smS
13
ht-stab enterotoxin H, aniso
0.0
34
download arrow 1lkkH  
1.0
13.3
ShelX b
105
 Tyr kinase SH2 aniso, H
11.4
63
download arrow 2erlH Y
1.0
12.9
ShelX smS
40
 pheromone ER-1 H, aniso
16.7
41
download arrow 1bpiH Y
1.1
14.6
ShelX smS
58
 BPTI 125°K (H refined)
14.8
65
download arrow 1cnrH  
1.05
10.5
ProLSQ smS
46
 crambin, no seq het H 150°K
0.0
58
download arrow 1ctjH Y
1.1
13.8
ShelX smM
89
 Cytochrome C6 aniso (H refined)
8.7
55
download arrow 1igdH Y
1.1
19.3
ProL,Xpl b
61
 protein G  
5.7
59
download arrow 1iroH  
1.1
9.0
ShelX smS
54
 rubredoxin, Clostr H, aniso
16.1
61
download arrow 1rgeAH Y
1.15
10.9
ShelX b
96
 RNAse SA H, aniso
2.4
65
download arrow 1ifcH  
1.19
16.9
Xpl,TNT b ud
132
 fatty-acid bdg,intes. 2 conf's
10.4
46
download arrow 1ammH  
1.2
18.5
Restrain Gkb
174
 gamma-B-crystallin 150°K
19.8
79
download arrow 1arbH  
1.2
14.9
ProLSQ Gkb
268
 achromobact protease  
4.6
73
download arrow 1cseH  
1.2
17.8
EREF a/b,sm
274,71
 subtilisin/eglin  
30.9
56
download arrow 1jbcH Y
1.2
11.8
ShelX Gkb
237
 concanavalin A 120°K (H refined)
4.8
72
download arrow 1notH  
1.2
17.8
Xplor smS
13
 G1-alpha conotoxin  
0.0
47
download arrow 1cusH  
1.25
15.8
Xplor a/b
200
 cutinase H (polar)
0.6
65
download arrow 7rsaH Y
1.26
15.0
ProLSQ b
124
 RNAse A H,D
0.0
68
download arrow 1fusH  
1.3
18.7
ProLSQ b
106
 RNAse F1 (10% to 1rge)
6.1
63
download arrow 1ptxH  
1.3
14.8
Xpl,ProL smS
64
 potent toxin  
7.0
66
download arrow 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
download arrow 1aacH Y
1.31
15.5
Xplor Gkb
105
 amicyanin (26% to 1plc)
5.1
60
download arrow 1plcH  
1.33
15.0
ProLSQ Gkb
99
 plastocyanin H
14.3
56
download arrow 4ptpH  
1.34
17.1
ProLSQ Gkb
223
 b-trypsin/DIFP (like 1arb)
18.8
58
download arrow 5p21H  
1.35
19.6
Xplor a/b
166
 P21 ras  
7.8
57
download arrow 1benABH  
1.4
15.4
ProFFT smS
21+30
 insulin H
21.4
44
download arrow 1rcfH Y
1.4
13.9
Xpl,ShlX a/b
169
 flavodoxin,anabaena H
14.9
65
download arrow 1sgpIH  
1.4
17.1
TNT smS
51
 (SGPB)/ovomucoid inhib  
30.0
59
download arrow 1xyzAH  
1.4
18.3
Xplor ba8
347
 xylanase  
10.9
61
download arrow 256bAH Y
1.4
16.4
ProLSQ 4hx
106
 Cyt B562  
17.7
54
download arrow 2ctcH Y
1.4
16.1
ProLSQ a/b
307
 CPAse A  
10.4
71
download arrow 2ihlH  
1.4
16.5
ProLSQ a
129
 quail lysozyme  
16.9
63
download arrow 2olbH Y
1.4
18.3
ProLSQ a/b,b
517
 oligo-pept bdg prot 123°K
15.9
75
download arrow 2phyH  
1.4
18.6
Xplor b
125
 phot. yellow protein  
8.7
54
download arrow 3ebxH Y
1.4
14.0
ProLSQ smS
62
 erabutoxin  
5.5
51
download arrow 3sdhAH Y
1.4
15.9
Xpl,ProL aHb
146
 clam Hb (homodimer)  
11.0
55
download arrow bio1RPOH  
1.4
18.9
Xplor 4hx
(2x)61
 ROP protein dimer, mut  
14.3
48
download arrow 2endH  
1.45
16.1
ProLSQ a
138
 endonuclease V  
18.7
57
download arrow 2rn2H  
1.48
19.5
ProLSQ b
155
 RNAse H  
17.2
51
download arrow 1xsoAH  
1.49
10.4
Xpl,ShlX Gkb
150
 CuZn SOD, Xenopus  
2.9
62
download arrow 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
download arrow 1ckaH Y
1.5
17.4
Xplor b
57
 c-crk SH3 dom 113°K H (polar)
10.6
69
download arrow 1edmBH  
1.5
15.7
Xplor smS
39
 Factor IX EGF  
3.6
49
download arrow 1ezmH  
1.5
17.6
Xplor b,a
301
 Zn elastase,Psdomon  
5.5
66
download arrow 1isuAH  
1.5
17.3
TNT smM
62
 HiPIP  
2.2
56
download arrow 1lucBH  
1.5
18.2
TNT ba8
324
 Luciferase 113°K
11.8
71
download arrow 1mlaH  
1.5
18.4
Xplor a/b,b
309
 malonyl CoA carrier  
7.0
63
download arrow 1poaH  
1.5
14.3
Xpl,PrFF smS
118
 P-lipase A2, cobra  
10.8
60
download arrow 1rieH Y
1.5
18.7
Xplor smM
129
 Rieske Fe-S protein 100°K
11.4
64
download arrow 1whiH  
1.5
18.9
Xplor b ud
122
 L14 ribosomal protein  
15.4
48
download arrow 2mcmH Y
1.5
16.2
ProLSQ Gkb
112
 macromycin  
14.7
51
download arrow 3b5cH Y
1.5
16.0
ProL,PrFF 4hx
93
 Cytochrome B5  
10.7
63
download arrow 2cbaH  
1.54
15.1
ProFFT a/b
260
 carbonic anhydrase II  
8.3
63
download arrow 3grsH  
1.54
18.6
TNT a/b
478
 glutath reduct  
16.5
54
download arrow 1litH  
1.55
18.0
Xplor b
144
 pancr. stone inhib. 113°K
17.8
60
download arrow 1ra9H Y
1.55
16.9
TNT a/b
159
 DHFR, E coli  
18.5
54
download arrow 1tcaH  
1.55
15.7
Xplor a/b
317
 lipase (Candida)  
6.2
64
download arrow 1hfcH  
1.56
17.4
Xpl,ProL b
169
 fibrobl collagenase  
10.2
62
download arrow 1adsH  
1.6
20.0
Xplor ba8
315
 aldose reductase  
13.6
64
download arrow 1aruH  
1.6
17.8
Xplor a
344
 fungal peroxidase  
12.7
66
download arrow 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
download arrow 1dadH  
1.6
18.3
Xplor a/b
224
 dethiobiotin synth/ADP  
9.1
56
download arrow 1lamH  
1.6
17.2
Xplor a/b
484
 Leu aminopept (2 Zn) 123°K
10.2
67
download arrow 1mctIH Y
1.6
16.7
Xplor smS
28
 squash trypsin inhib H (polar)
12.6
39
download arrow 1mrjH Y
1.6
17.3
Xplor ~a/b
247
 trichosanthin/ade H (polar)
14.3
55
download arrow 1nfpH  
1.6
17.5
ProLSQ ~ba8
228
 LuxF flavoprot  
14.6
58
download arrow 1nifH  
1.6
17.5
Xplor Gkb
340
 nitrite reductase some H
15.6
52
download arrow 1phbH  
1.6
19.0
ProLSQ a
414
 Cyt P450/camphor  
28.8
49
download arrow 1ptfH  
1.6
15.6
Xpl,ProL b
88
 His P-carrier  
13.2
54
download arrow 1smdH Y
1.6
18.4
ProLSQ ba8
496
 salivary amylase  
15.3
66
download arrow 1xicH  
1.6
15.2
ProLSQ ba8
388
 xylose isom/xylose  
5.2
62
download arrow 2ayhH Y
1.6
14.3
TNT Gkb
214
 beta glucanase  
10.1
68
download arrow 2er7H  
1.6
14.2
Restrain b
330
 endothiapepsin  
14.5
63
download arrow 2rheH  
1.6
14.9
rst rc-sp Gkb
114
 Rhe VL dimer  
21.3
48
download arrow 3pteH  
1.6
14.8
Xplor a/b
349
 D-Ala transpept  
7.8
70
download arrow 451cH Y
1.6
18.7
EREF smM
82
 Cyt C551, red (23% to 1ctj)
11.8
54
download arrow 4fgfH  
1.6
16.1
TNT tref
149
 fibroblast growth F  
24
49
download arrow 1akyH Y
1.63
19.4
Xplor a/b
221
 adenyl kinase H (polar)
11.3
53
download arrow 2cplH  
1.63
18.0
Xplor b
165
 cyclophilin  
6.3
64
download arrow 1kapH  
1.64
18.5
Xplor b hx
479
 alk protease/Zn/8Ca, some H
6.4
65
download arrow 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
download arrow 1cnvH  
1.65
17.2
Xplor ba8
299
 concanavalin B (~ chitinase)
8.0
58
download arrow 1phpH Y
1.65
15.6
Xpl,ProL a/b
394
 P-glyc kinase  
9.8
57
download arrow 1sncH Y
1.65
16.1
ProLSQ olb
149
 Staph nuclease  
44.0
35
download arrow 1sriAH  
1.65
17.5
ProL,FFT b ud
121
 streptavidin/haba  
37.1
34
download arrow bio2WRPH  
1.65
18.0
ProL,FFT a
(2x)107
 Trp repressor  
18.9
47
download arrow 1cpcBH  
1.66
18.1
EREF aHb
172
 phycocyanin  
23.5
49
download arrow 3chyH Y
1.66
15.1
ProFFT a/b
128
 che Y  
19.0
50
download arrow 2ccyAH Y
1.67
18.8
ProLSQ 4hx
128
 Cytochrome C' (16% to 256b)
14.0
48
download arrow 1osaH  
1.68
19.4
Xplor aEF
148
 calmodulin (27% to 1rro)
9.8
47
download arrow 2trxAH  
1.68
16.5
ProFFT a/b
108
 thioredoxin  
6.1
55
download arrow 2hftH Y
1.69
20.4
ProL,Xpl Gkb
218
 tissue factor  (18% to 2rhe)100°K
12.5
54
download arrow 2mhrH Y
1.7/1.3
15.8
ProLSQ 4hx
118
 myohemerythrin H
12.6
56
download arrow 1difH  
1.7
19.8
Xplor b
(2x)99
 HIV protease dimer H
7.6
54
download arrow 1fncH  
1.7
14.9
TNT a/b,b
314
 ferredoxin reductase  
24.8
50
download arrow 1fxdH  
1.7
15.7
ProFFT SmM
58
 ferredoxin II, Fe3S4  
8.9
54
download arrow 1knbH  
1.7
15.8
Xplor b
196
 adenovirus knob domain H (polar)
8.6
56
download arrow 1ttaAH  
1.7
16.8
ProLsq Gkb
127
 transthyretin  
19.8
39
download arrow 2bopAH  
1.7
20.1
ProL,Xpl b
85
 papil'virus E2 transcr  
22.9
46
download arrow 2msbAH Y
1.7
17.4
Xplor b
115
 mannose-binding prot  
11.7
63
download arrow 3lzmH  
1.7
15.7
TNT b,a
164
 T4 lysozyme  
9.6
60