Latest update: 4 May, 2005.
This page contains some supplementary material to the Ways & Means article in Structure about Ramachandran plots.
Reference: GJ Kleywegt and TA Jones (1996). Phi/psi-chology: Ramachandran revisited. Structure 4, 1395 - 1400.
Generate Ramachandran plots of your own models with the STAN server !
| PDB identifier | Resolution (Å) | Year of deposition | Nr of protein residues | Nr of Ramachandran plot outliers | Percentage Ramachandran plot outliers |
|---|---|---|---|---|---|
| 2ABX | 2.5 | 1986 | 138 | 100 | 72.464 |
| 1GMA | 0.86 | 1988 | 24 | 15 | 62.500 |
| 1CYC | 2.3 | 1976 | 89 | 45 | 50.562 |
| 3PGM | 2.8 | 1982 | 214 | 99 | 46.262 |
| 1CTX | 2.8 | 1982 | 64 | 27 | 42.188 |
| 2GN5 | 2.3 | 1986 | 78 | 32 | 41.026 |
| 2ATC | 3.0 | 1982 | 430 | 174 | 40.465 |
| 1PYP | 3.0 | 1983 | 263 | 106 | 40.304 |
| 4RCR | 2.8 | 1991 | 706 | 282 | 39.943 |
| 1TRC | 3.6 | 1990 | 122 | 48 | 39.344 |
| 155C | 2.5 | 1976 | 119 | 46 | 38.655 |
| 2TAA | 3.0 | 1982 | 435 | 166 | 38.161 |
| 4CAT | 3.0 | 1983 | 657 | 248 | 37.747 |
| 5LDH | 2.7 | 1980 | 292 | 108 | 36.986 |
| 1HDS | 1.98 | 1979 | 520 | 183 | 35.192 |
| 4GPD | 2.8 | 1988 | 1204 | 418 | 34.718 |
| 2GLS | 3.5 | 1989 | 5148 | 1783 | 34.635 |
| 1GPD | 2.9 | 1975 | 602 | 205 | 34.053 |
| 1CN1 | 3.2 | 1981 | 437 | 146 | 33.410 |
| 3PGK | 2.5 | 1982 | 376 | 125 | 33.245 |
| 1TMF | 3.5 | 1992 | 739 | 238 | 32.206 |
| 1HKG | 3.5 | 1980 | 422 | 135 | 31.991 |
| 1TNV | 5.0 | 1994 | 571 | 182 | 31.874 |
| 1MCW | 3.5 | 1989 | 396 | 126 | 31.818 |
| 1PFC | 3.125 | 1981 | 104 | 33 | 31.731 |
| 2SNS | 1.5 | 1982 | 130 | 41 | 31.538 |
| 1RFB | 3.0 | 1993 | 226 | 70 | 30.973 |
| 2PGK | 3.0 | 1976 | 404 | 122 | 30.198 |
| 3SDP | 2.1 | 1991 | 338 | 102 | 30.178 |
| 3GPD | 3.5 | 1983 | 598 | 177 | 29.599 |
| 1RDD | 2.8 | 1993 | 139 | 41 | 29.496 |
| 3LDH | 3.0 | 1974 | 299 | 85 | 28.428 |
| 1SPI | 2.8 | 1994 | 1192 | 331 | 27.768 |
| 2AAT | 2.8 | 1989 | 364 | 100 | 27.473 |
| 1LLC | 3.0 | 1988 | 283 | 77 | 27.208 |
| 3HVT | 2.9 | 1994 | 890 | 239 | 26.854 |
| 1NRQ | 3.5 | 1994 | 188 | 50 | 26.596 |
| 2RCR | 3.1 | 1991 | 738 | 196 | 26.558 |
| 1GYL | 3. | 1995 | 645 | 171 | 26.512 |
| 1ACX | 2.0 | 1982 | 88 | 23 | 26.136 |
| 1CNE | 3.0 | 1995 | 238 | 62 | 26.050 |
| 1NRO | 3.1 | 1994 | 198 | 51 | 25.758 |
| 1YST | 3.0 | 1994 | 742 | 191 | 25.741 |
| 1AZU | 2.7 | 1980 | 111 | 28 | 25.225 |
| 7ADH | 3.2 | 1984 | 334 | 84 | 25.150 |
16 45 64 51 40 39 32 38 43 63
35 4 0 0 0 0 0 0 0 0
1 0 1 1 2 2 0 0 0 0
0 0 0 0 1 0 16 1 10 23
25 18 16 12 15 19 21 7 0 0
0 0 0 0 0 0 0 0 0 0
1 4 0 0 1 0 0 0 0 0
0 0 0 1 0 1 7 5 2 7
3 5 3 3 4 1 1 0 0 0
0 0 0 0 0 0 1 3 3 1
0 0 0 0 0 0 0 1 0 0
0 1 5 2 1 3 3 4 4 3
1 0 1 0 0 0 0 0 0 0
0 0 0 1 11 2 0 0 0 0
0 0 0 0 0 0 0 1 1 1
2 0 1 2 8 2 5 0 1 0
0 0 0 0 0 0 0 0 0 0
3 9 0 0 0 0 0 0 0 0
0 0 0 0 1 0 0 2 0 3
2 5 8 1 0 0 1 0 0 0
0 0 0 0 0 0 1 6 11 6
1 0 0 0 0 0 0 1 0 0
0 0 0 0 0 0 1 1 3 4
2 0 0 0 1 0 1 0 0 0
1 0 0 1 4 7 2 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 1 1 1 3 1 1 0 0
0 1 0 1 0 0 0 0 2 2
0 2 4 2 1 0 1 0 0 0
0 0 0 0 0 0 0 2 0 2
4 2 6 5 2 0 0 1 1 0
1 0 1 0 0 0 1 1 1 2
2 0 0 0 0 0 0 0 0 0
0 1 0 1 0 0 0 1 7 5
2 2 4 1 2 0 3 2 0 2
1 1 2 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 2 1
0 0 4 2 5 5 7 6 7 9
6 4 4 5 7 1 2 0 0 1
0 0 0 0 0 3 0 0 0 0
0 0 0 1 0 0 0 0 0 5
4 5 13 22 12 16 22 30 49 52
31 18 7 2 0 0 0 0 0 0
0 0 6 1 0 0 0 1 1 0
1 0 0 0 1 1 1 4 10 13
38 34 49 72 160 709 1013 205 45 1
2 0 1 0 1 0 0 0 4 7
1 1 1 0 0 0 0 0 1 0
1 0 0 0 1 10 22 42 67 101
229 1035 6328 3530 357 18 6 2 0 0
1 0 1 0 0 6 2 2 1 0
2 0 1 2 0 0 1 0 0 0
1 3 8 25 51 91 172 309 1589 4895
1978 146 10 1 0 0 0 0 0 0
0 1 7 5 1 0 1 0 0 1
1 1 0 1 0 1 0 2 4 19
46 97 125 199 387 966 1888 714 29 1
1 0 0 0 0 0 0 0 1 2
2 1 0 0 1 0 0 1 0 0
0 1 0 0 2 7 23 78 145 180
298 521 872 873 140 9 0 0 0 0
0 0 0 0 0 1 0 2 3 1
1 0 0 1 1 0 0 0 0 1
0 1 9 25 93 127 251 438 625 517
172 16 1 0 0 0 0 0 0 0
0 0 2 4 11 6 3 0 0 0
1 0 0 0 0 1 0 0 3 17
38 117 167 379 456 374 124 12 4 0
0 0 0 0 0 0 0 0 0 3
24 31 6 0 0 0 0 0 0 0
0 0 0 0 2 6 14 42 105 205
282 247 96 20 3 1 0 0 0 0
0 0 0 0 0 0 16 76 40 4
0 0 0 0 0 0 0 0 0 0
0 0 4 12 32 78 143 133 62 18
11 1 2 0 0 0 0 0 0 0
0 0 6 89 109 19 3 1 0 0
0 0 0 0 0 1 0 0 1 4
14 30 56 59 30 15 13 2 1 0
0 0 0 0 0 0 0 0 2 31
206 129 10 1 0 0 0 0 0 0
0 0 0 0 0 1 1 13 18 30
27 14 13 13 7 3 1 0 0 1
0 0 0 1 0 7 111 263 74 2
3 1 0 0 0 0 0 0 0 0
0 0 0 5 12 28 25 7 9 13
40 21 3 2 0 0 0 0 0 0
0 1 10 84 103 17 0 3 0 0
0 0 0 0 0 0 0 0 0 4
12 27 41 47 15 5 39 65 32 1
1 0 0 0 0 0 0 0 3 10
33 29 4 1 0 0 0 1 0 0
0 0 0 1 0 2 1 14 30 82
59 16 15 53 106 43 1 1 0 2
0 0 0 0 0 1 5 4 9 1
1 0 1 0 0 0 0 0 0 1
0 2 1 9 15 28 59 69 44 28
57 104 46 4 0 0 0 2 0 0
0 0 1 2 3 1 2 1 0 0
1 0 0 0 0 0 0 0 1 1
7 19 35 46 82 85 73 100 115 36
10 2 1 0 0 1 0 0 1 0
0 1 1 0 1 1 0 0 0 0
0 2 0 0 1 1 3 13 27 58
114 179 237 264 239 180 85 26 5 4
1 1 0 0 0 0 0 0 0 0
2 4 1 1 0 1 0 0 0 1
0 0 3 3 15 27 101 219 360 458
528 443 331 206 120 58 22 7 0 0
0 1 0 0 0 0 1 1 0 2
1 1 0 0 0 1 0 0 0 3
4 27 69 202 397 798 940 762 632 499
436 442 336 110 15 4 0 1 0 0
0 0 0 1 2 0 1 2 0 0
0 0 0 0 0 0 4 12 56 155
293 617 883 852 717 565 559 668 801 587
115 2 2 0 1 0 0 0 0 0
0 1 1 2 0 0 0 0 0 1
0 0 1 12 13 94 231 462 690 734
567 480 384 457 685 856 434 36 2 0
0 0 0 0 0 0 0 0 0 1
2 0 0 0 0 0 0 0 0 4
13 20 188 423 486 737 612 440 300 303
401 594 549 150 14 1 0 0 0 0
0 0 0 0 0 0 2 2 0 0
1 0 0 0 0 1 2 20 57 189
362 392 468 342 239 201 199 313 394 209
21 3 0 0 0 0 0 0 0 0
0 0 0 3 0 0 0 0 0 0
0 1 1 5 57 32 100 162 169 160
118 99 94 102 117 137 43 6 0 0
0 0 0 0 0 0 0 0 1 4
2 1 0 0 0 0 0 1 0 0
2 32 16 45 64 51 40 39 32 38
43 63 35 4 0 0 0 0 0 0
0 0 1 0 1 1 2 2 0 0
0 0 0 0 0 0 1 0 16
REMARK Total nr of residues 74893
...
integer coregn(37,37)
...
call defcor (coregn)
...
nongly = 0
noutlr = 0
...
do 330 i=1,nres
...
c if not GLY then do:
iphi = int ( (180.0+phi(i)) / 10.0 ) + 1
ipsi = int ( (180.0+psi(i)) / 10.0 ) + 1
if (iphi .ge. 1 .and. iphi .le. 37 .and.
+ ipsi .ge. 1 .and. ipsi .le. 37) then
nongly = nongly + 1
if (coregn(iphi,ipsi) .ne. 1) then
noutlr = noutlr + 1
end if
end if
...
330 continue
...
call jvalut (' RAMA - Nr of non-Gly residues :',1,nongly)
call jvalut (' RAMA - Nr of outliers (98%) :',1,noutlr)
if (nongly .gt. 0 .and. noutlr .gt. 0) then
call fvalut (' RAMA - % Outliers :',1,
+ 100.0*float(noutlr)/float(nongly))
else
call fvalut (' RAMA - % Outliers :',1,0.0)
end if
subroutine defcor (coregn)
c
c ... this subroutine was auto-generated by
c /home/gerard/pdb/phipsi/statjiffy.f
c
c ... COREGN will be set to 1 for all 10*10 degree squared
c areas of the Ramachandran plot in which 98% of all
c residues in ~400 <95% homologous <=2.0 A structures
c are found
c
implicit NONE
c
integer m37
parameter (m37=37*37)
c
integer coregn (m37),i
c
code ...
c
do i=1,m37
coregn(i) = 0
end do
c
do i = 2, 11
coregn (i) = 1
end do
do i = 40, 42
coregn (i) = 1
end do
do i = 46, 47
coregn (i) = 1
end do
coregn ( 414) = 1
do i = 417, 422
coregn (i) = 1
end do
do i = 451, 459
coregn (i) = 1
end do
do i = 487, 496
coregn (i) = 1
end do
do i = 524, 532
coregn (i) = 1
end do
do i = 560, 569
coregn (i) = 1
end do
do i = 597, 605
coregn (i) = 1
end do
do i = 634, 641
coregn (i) = 1
end do
do i = 670, 677
coregn (i) = 1
end do
do i = 691, 692
coregn (i) = 1
end do
do i = 708, 714
coregn (i) = 1
end do
do i = 728, 729
coregn (i) = 1
end do
do i = 745, 750
coregn (i) = 1
end do
do i = 764, 766
coregn (i) = 1
end do
do i = 782, 785
coregn (i) = 1
end do
do i = 800, 802
coregn (i) = 1
end do
do i = 819, 821
coregn (i) = 1
end do
do i = 837, 839
coregn (i) = 1
end do
do i = 856, 857
coregn (i) = 1
end do
do i = 861, 862
coregn (i) = 1
end do
do i = 874, 876
coregn (i) = 1
end do
do i = 892, 894
coregn (i) = 1
end do
do i = 897, 899
coregn (i) = 1
end do
do i = 911, 912
coregn (i) = 1
end do
do i = 929, 931
coregn (i) = 1
end do
do i = 934, 936
coregn (i) = 1
end do
do i = 966, 973
coregn (i) = 1
end do
do i = 1002,1010
coregn (i) = 1
end do
do i = 1039,1048
coregn (i) = 1
end do
do i = 1076,1087
coregn (i) = 1
end do
do i = 1112,1124
coregn (i) = 1
end do
do i = 1149,1161
coregn (i) = 1
end do
do i = 1186,1198
coregn (i) = 1
end do
do i = 1222,1234
coregn (i) = 1
end do
do i = 1258,1271
coregn (i) = 1
end do
do i = 1295,1307
coregn (i) = 1
end do
coregn (1332) = 1
do i = 1334,1343
coregn (i) = 1
end do
c
return
end
MOLEMAN2> read 1cbs.pdb MOLEMAN2> prot mc 1cbs.psThen remove the grey boxes from the PostScript file:
unix> grep -v LightBox 1cbs.ps > new.psThen open the file "new.ps" with your text editor, put your cursor after the bit that goes:
closepath gsave gsave 1.0000 setgray fill grestore SThen insert the PostScript code shown below (save it in a file first if you like; do not include the dashed lines):
------------------------------------------------------------------- red 186.12 400 M 175 407.71 L 169.71 412.5 L 168.97 425 L 168.84 437.5 L 166.76 450 L 175 457.99 L 187.5 453.93 L 191.26 450 L 200 439.09 L 201.28 437.5 L 205.46 425 L 207.15 412.5 L 204.94 400 L 200 396.02 L 187.5 398.88 L 186.12 400 L S 162.49 462.5 M 162.5 462.51 L 162.52 462.5 L 162.5 462.48 L 162.49 462.5 L S 108.03 625 M 100.57 637.5 L 100 639.84 L 97.08 650 L 94.22 662.5 L 100 667.9 L 110.44 662.5 L 112.5 660.22 L 120.59 650 L 125 646.97 L 137.5 642.27 L 144.65 637.5 L 150 626.9 L 151.08 625 L 150 624.28 L 137.5 617.84 L 125 617.49 L 112.5 621.09 L 108.03 625 L S 172.04 637.5 M 172.89 650 L 175 656.45 L 187.5 658.57 L 193.07 650 L 197.24 637.5 L 187.5 632.02 L 175 636.32 L 172.04 637.5 L S green S 176.66 400 M 175 401.15 L 162.5 412.31 L 162.27 412.5 L 155.66 425 L 152.49 437.5 L 150 442.44 L 143.44 450 L 137.5 457.85 L 134.69 462.5 L 129.21 475 L 129 487.5 L 137.5 491.42 L 150 488.97 L 151.77 487.5 L 162.5 480.62 L 169.21 475 L 175 471.81 L 185.48 462.5 L 187.5 461.45 L 198.46 450 L 200 448.07 L 208.48 437.5 L 211.35 425 L 212.5 419.39 L 216.1 412.5 L 212.5 402.1 L 212.15 400 L 200 390.21 L 187.5 391.18 L 176.66 400 L S 334.79 525 M 337.5 527.52 L 339.57 525 L 337.5 515.95 L 334.79 525 L S 122.8 600 M 112.5 604.09 L 100.16 612.5 L 100 612.61 L 89.11 625 L 87.5 629.15 L 82.65 637.5 L 75 648.97 L 74.46 650 L 64.89 662.5 L 65.67 675 L 75 682.84 L 87.5 683.84 L 100 684.81 L 112.5 680.81 L 125 676.21 L 129.46 675 L 137.5 671.01 L 150 670.61 L 153.94 675 L 162.5 680.04 L 175 682.85 L 187.09 675 L 187.5 674.8 L 197.6 662.5 L 200 658.76 L 205.7 650 L 209.52 637.5 L 205.21 625 L 200 621.02 L 187.5 616.6 L 175 613.28 L 173.31 612.5 L 162.5 604.66 L 153.01 600 L 150 598.77 L 137.5 597.71 L 125 599.18 L 122.8 600 L S yellow S 166.65 400 M 162.5 402.34 L 150 412.3 L 149.67 412.5 L 139.46 425 L 137.5 428.57 L 126.82 437.5 L 125 438.81 L 116.65 450 L 115.63 462.5 L 112.5 466.68 L 109.4 475 L 110.94 487.5 L 112.5 490.93 L 116.79 500 L 125 506.59 L 137.5 504.05 L 143.84 500 L 150 497.38 L 161.9 487.5 L 162.5 487.12 L 175 478.13 L 177.85 475 L 187.5 467.54 L 192.74 462.5 L 200 453.83 L 203.59 450 L 210.88 437.5 L 212.5 429.74 L 216.51 425 L 221.09 412.5 L 220.51 400 L 212.5 392.9 L 200 388.28 L 187.5 388.62 L 175 394.83 L 166.65 400 L S 344.26 500 M 337.5 501.46 L 330.22 512.5 L 325 522.9 L 323.41 525 L 325 530.77 L 334.56 537.5 L 337.5 538.31 L 338.2 537.5 L 348.15 525 L 350 519.82 L 353.22 512.5 L 351.46 500 L 350 495.86 L 344.26 500 L S 160.22 562.5 M 160.77 575 L 151.38 587.5 L 150 587.72 L 137.5 589.38 L 125 588.95 L 112.5 590.23 L 100 596.99 L 96.33 600 L 87.5 612.26 L 87.38 612.5 L 77.93 625 L 75 629.49 L 68.27 637.5 L 63.42 650 L 62.5 651.33 L 56.52 662.5 L 54.26 675 L 62.5 687.16 L 62.97 687.5 L 75 695.53 L 87.5 694.62 L 100 693.31 L 112.5 691.05 L 123.38 687.5 L 125 687.14 L 137.5 686.33 L 146.44 687.5 L 150 688.27 L 162.5 692.32 L 175 691.99 L 180.01 687.5 L 187.5 683.19 L 194.52 675 L 200 667.06 L 204.28 662.5 L 209.98 650 L 212.5 640.18 L 214.27 637.5 L 214.05 625 L 212.5 623.31 L 200 614.71 L 192.55 612.5 L 187.5 609.36 L 175 601.69 L 172.76 600 L 165.18 587.5 L 163.94 575 L 164.35 562.5 L 162.5 559.43 L 160.22 562.5 L S blue S 61.66 250 M 62.5 250.69 L 75 255.98 L 87.5 253.21 L 95.45 250 L S 150.37 250 M 162.5 255.47 L 170.69 250 L S 184.08 387.5 M 175 389.36 L 162.5 393.49 L 150 397.84 L 145.35 400 L 137.5 403.9 L 125.88 412.5 L 125 414.87 L 121.79 425 L 112.5 435.6 L 110.89 437.5 L 105.41 450 L 104.45 462.5 L 101.3 475 L 100.38 487.5 L 103.88 500 L 107.54 512.5 L 112.5 517.46 L 125 518.04 L 131.14 512.5 L 137.5 510.36 L 150 504.63 L 155 500 L 162.5 495.12 L 170.36 487.5 L 175 484.29 L 183.47 475 L 187.5 471.88 L 197.24 462.5 L 200 459.21 L 208.63 450 L 212.08 437.5 L 212.5 435.47 L 221.36 425 L 223.59 412.5 L 225 400.9 L 225.53 400 L 225 399.1 L 212.5 388.75 L 204.94 387.5 L 200 385.24 L 187.5 385.92 L 184.08 387.5 L S 343.88 487.5 M 337.5 493.08 L 331.51 500 L 326.2 512.5 L 325 514.9 L 317.36 525 L 318.99 537.5 L 325 546.95 L 337.5 546.94 L 345.7 537.5 L 350 531.23 L 354.69 525 L 358.52 512.5 L 358.63 500 L 360.87 487.5 L 350 480.43 L 343.88 487.5 L S 103.55 550 M 100 550.83 L 91.79 562.5 L 94.18 575 L 96.5 587.5 L 87.5 592.61 L 82.25 600 L 78.61 612.5 L 75 618.18 L 68.18 625 L 62.5 633.1 L 59.53 637.5 L 55.67 650 L 52.23 662.5 L 50 670.92 L S 103.55 550 M 112.5 547.42 L 114.42 550 L 116.86 562.5 L 125 574.38 L 125.98 575 L 137.5 580.08 L 144.98 575 L 146.91 562.5 L 150 554.55 L 152.59 550 L 162.5 539.51 L 170.33 550 L 174.87 562.5 L 175 564.13 L 176.04 575 L 175 578.88 L 173.52 587.5 L 175 589.99 L 182.88 600 L 187.5 602.77 L 200 609.26 L 204.74 612.5 L 212.5 616.05 L 220.73 625 L 219.77 637.5 L 212.5 648.52 L 212.12 650 L 209.24 662.5 L 200 672.34 L 198.16 675 L 187.5 687.45 L 187.41 687.5 L 175 698.63 L 170.69 700 L S 497.14 675 M 500 680.99 L S 497.14 675 M 500 670.92 L S 52.78 687.5 M 61.66 700 L S 52.78 687.5 M 50 680.99 L S 95.45 700 M 100 699.46 L 112.5 699.04 L 125 697.16 L 137.5 697.99 L 150 699.86 L 150.37 700 L S magenta S 50.23 250 M 62.5 260.14 L 69.06 262.5 L 75 267.5 L 87.5 267.26 L 100 263.67 L 109.38 262.5 L 112.5 262.2 L 125 259.18 L 137.5 261.46 L 142.5 262.5 L 150 264.52 L 162.5 265.44 L 166.5 262.5 L 175 258.24 L 182.24 250 L S 118.14 387.5 M 114.66 400 L 112.5 405.64 L 107.16 412.5 L 106.63 425 L 100 434.29 L 97.83 437.5 L 95 450 L 94.02 462.5 L 87.5 473.32 L 86.54 475 L 87.5 478.87 L 88.67 487.5 L 90.82 500 L 89.78 512.5 L 96.48 525 L 91.81 537.5 L 87.5 542.32 L 79.82 550 L 77.28 562.5 L 76.89 575 L 75 580 L 72.16 587.5 L 66.61 600 L 64.69 612.5 L 62.5 614.69 L 57.54 625 L 51.57 637.5 L 50.75 650 L 50 656.69 L S 118.14 387.5 M 125 383.07 L 131.09 387.5 L 137.5 390.44 L 150 387.7 L 151.21 387.5 L 162.5 382.5 L 175 380.81 L 187.5 378.53 L 200 378.3 L 212.5 380.68 L 225 385.63 L 226.88 387.5 L 232.71 400 L 226.72 412.5 L 225 414.92 L 224.27 425 L 217.26 437.5 L 212.5 444.93 L 211.65 450 L 200 462.44 L 199.95 462.5 L 187.5 474.49 L 186.84 475 L 177.55 487.5 L 175 492.26 L 165.21 500 L 162.5 503.52 L 150 512.01 L 148.33 512.5 L 137.5 522.72 L 134.55 525 L 125 530.99 L 117.88 537.5 L 124.34 550 L 124.84 562.5 L 125 562.73 L 137.5 564.39 L 138.09 562.5 L 141.78 550 L 150 539.51 L 151.9 537.5 L 162.5 526.9 L 175 533.5 L 177.94 537.5 L 180.61 550 L 182.44 562.5 L 183.8 575 L 184.22 587.5 L 187.5 593.18 L 192.73 600 L 200 602.72 L 212.5 608.98 L 216.93 612.5 L 224.73 625 L 223.07 637.5 L 219.33 650 L 212.5 660.99 L 212.21 662.5 L 202.94 675 L 200 678.73 L 196.53 687.5 L 187.5 695.91 L 182.24 700 L S 345.98 475 M 337.63 487.5 L 337.5 487.61 L 326.78 500 L 325 505.37 L 319.23 512.5 L 313.73 525 L 313.8 537.5 L 316.06 550 L 325 557.1 L 337.5 557.43 L 343.28 550 L 350 538.54 L 350 537.5 L 359.62 525 L 361.7 512.5 L 362.5 503.57 L 364.52 500 L 370.52 487.5 L 369.63 475 L 362.5 466.28 L 350 470.74 L 345.98 475 L S 497.67 662.5 M 490.34 675 L 493.97 687.5 L 500 699.56 L S 497.67 662.5 M 500 656.69 L S 50.23 700 M 50 699.56 L S black -------------------------------------------------------------------
1cbn _ 8rxn A 1igd _ 1arb _ 1cse IE 2sn3 _ 5rxn _ 1cus _ 7rsa _ 135l _ 1fus _ 1ptx _ 1rro _ 1plc _ 1utg _ 4ptp _ 5p21 _ 1ppt _ 1thm _ 1eca _ 1hmt _ 1rcf _ 1rdg _ 1st3 _ 256b A 2ctc _ 2ihl _ 3ebx _ 3sdh A 1aba _ 2end _ 4gcr _ 2rn2 _ 1xnb _ 1xso A 8abp _ 1aap A 1bab BA 1ccr _ 1cka A 1ezm _ 1flp _ 1hpg A 1isu A 1lzr _ 1noa _ 1pmy _ 1poa _ 1sha A 1wfb A 2hbg _ 2mcm _ 2plt _ 2prk _ 2sga _ 3b5c _ 5cyt R 6rxn _ 9rnt _ 2cba _ 3grs _ 5pal _ 1tca _ 1tgx A 3ovo _ 1hfc _ 1erl _ 1ads _ 1bfg _ 1cdp _ 1csh _ 1hcb _ 1knt _ 1lid _ 1mrj _ 1nfp _ 1ppn _ 1ptf _ 1scs _ 1trz B 2ayh _ 2dri _ 2er7 E 2rhe _ 2sil _ 3gct A 4bp2 _ 4icb _ 4xis _ 7pti _ 8tln E 1htr PB 2cpl _ 2rmc A 1dts _ 1php _ 1pva A 2wrp R 3est _ 3psg _ 1cpc AB 2hmz A 3chy _ 2ccy A 1osa _ 2trx A 1alc _ 1bgc _ 1cll _ 1ctf _ 1etb 1 1fkf _ 1fnc _ 1frd _ 1fxd _ 1gca _ 1gdm _ 1gmp A 1gof _ 1hbq _ 1hml _ 1hrm _ 1knb _ 1l92 _ 1lsm _ 1mfa _ 1nsc A 1ofv _ 1onc _ 1rop A 1s01 _ 1sbp _ 1sgt _ 1tad C 1ypc I 2act _ 2alp _ 2bop A 2csc _ 2cy3 _ 2mge _ 2mhr _ 3dfr _ 4dfr A 5rub A 8dfr _ 1ges A 1myt _ 1mdc _ 1myg A 1thv _ 2bbk H 2cyr _ 3cla _ 1pda _ 1emy _ 1aaj _ 1amp _ 1apv E 1ars _ 1bbh A 1bgh _ 1btl _ 1caa _ 1cbs _ 1cig _ 1cmc A 1ept ABC 1fas _ 1fca _ 1fna _ 1frr A 1gbs _ 1gd1 O 1glq A 1hcr A 1hpi _ 1hrn B 1hvi A 1hyp _ 1ilk _ 1isc A 1ivd _ 1kab _ 1len AB 1lmb 3 1lmn _ 1lst _ 1mng A 1mrg _ 1nar _ 1npk _ 1olb A 1omp _ 1pgs _ 1ppo _ 1rtm 1 1shg _ 1srg A 1ten _ 1tgs I 1thg _ 1tml _ 1ton _ 1tph 1 1ubi _ 1vfa BA 1wap B 1xnd _ 1ytb A 2apr _ 2aza A 2cdv _ 2exo _ 2fal _ 2fcr _ 2gst A 2ohx A 2pal _ 2por _ 2spc A 2tgi _ 2zta A 3cox _ 3sgb IE 4fxn _ 7pcy _ 8fab BA 8pti _ 9wga A 1cel A 1xya A 1bit _ 1iae _ 2hts _ 5tim A 1fdn _ 1hne E 1tib _ 1hna _ 2ak3 B 1aec _ 2cmd _ 1hsl A 1ake A 1aoz A 1arp _ 1bmd A 1bsr A 1byb _ 1chm A 1clc _ 1cth A 1dfn A 1ede _ 1fba A 1fgv HL 1gpb _ 1gpr _ 1hhl _ 1hrc _ 1hsb AB 1lis _ 1loe C 1mld A 1nci A 1nhk L 1ntn _ 1opb A 1pbe _ 1pbp _ 1pk4 _ 1raq _ 1rec _ 1rms _ 1rsy _ 1shf A 1slt A 1sxc A 1ukz _ 1wtl A 1yea _ 2chs A 2cst A 2fb4 HL 2fx2 _ 2gbp _ 2mnr _ 2ran _ 3bcl _ 3hsc _ 3rp2 A 3tgl _ 4enl _ 5azu A 5fd1 _ 6fab LH 7aat A 7tim A 1bam _ 1hle AB 1lts ACD 1ova B 1yeb _ 2fbj HL 1gar A 1prn _ 2imn _ 1hds AB 1abk _ 1acf _ 1afg A 1ald _ 1alk A 1apm E 1bbp A 1brs D 1bsa A 1cdg _ 1cew I 1cfb _ 1cgt _ 1ddt _ 1drf _ 1dsb A 1esl _ 1fdx _ 1fia B 1frp A 1gia _ 1gky _ 1gox _ 1gp1 A 1hil BA 1hip _ 1hoe _ 1hur A 1huw _ 1hvd _ 1iag _ 1ids A 1lct _ 1led _ 1lhs _ 1lki _ 1lld A 1lob D 1lte _ 1mee A 1mjc _ 1mpp _ 1msc _ 1nba A 1nbv H 1nhp _ 1npc _ 1oyb _ 1pca _ 1pii _ 1poc _ 1poh _ 1ppa _ 1pso E 1r69 _ 1rbp _ 1rei A 1ris _ 1rtp 1 1rva A 1sac A 1sem A 1smr A 1sph A 1srd A 1srp _ 1trb _ 1trk A 1wht AB 2blt A 2cts _ 2dnj A 2ebn _ 2hpd A 2hpe A 2i1b _ 2kau BCA 2lhb _ 2mcg 1 2mhb BA 2nad A 2paz _ 2pgd _ 2rsp B 2scp A 3blm _ 3cms _ 3il8 _ 3pga 3 3rub LS 4blm A 7fab HL 8acn _ 9ldt A
# defcor.awk adapted from f77 subroutine defcor by Taylor/Kleywegt
# Charlie Bond 10i97
function defcor(coregn){
for ( i=1 ; i <=37 ; i++ )
{ for ( j=1 ; j <=37 ; j++ )
{ coregn[i,j] = 0 }}
for ( i = 2; i <= 11 ; i++ )
{ coregn[i,1] = 1 }
for ( i = 3; i <= 5 ; i++ )
{ coregn[i,2] = 1 }
for ( i = 9; i <= 10 ; i++ )
{ coregn[i,2] = 1 }
# 2005-05-04 - bug fixed in next line (11 should be 12; thanks are due to Peter Robinson)
coregn[7,12] = 1
for ( i = 10; i <= 15 ; i++ )
{ coregn[i,12] = 1 }
for ( i = 7; i <= 15 ; i++ )
{ coregn[i,13] = 1 }
for ( i = 6; i <= 15 ; i++ )
{ coregn[i,14] = 1 }
for ( i = 6; i <= 14 ; i++ )
{ coregn[i,15] = 1 }
for ( i = 5; i <= 14 ; i++ )
{ coregn[i,16] = 1 }
for ( i = 5; i <= 13 ; i++ )
{ coregn[i,17] = 1 }
for ( i = 5; i <= 12 ; i++ )
{ coregn[i,18] = 1 }
for ( i = 4; i <= 11 ; i++ )
{ coregn[i,19] = 1 }
for ( i = 25; i <= 26 ; i++ )
{ coregn[i,19] = 1 }
for ( i = 5 ; i <= 11 ; i++ )
{ coregn[i,20] = 1 }
for ( i = 25; i <= 26 ; i++ )
{ coregn[i,20] = 1 }
for ( i = 5; i <= 10 ; i++ )
{ coregn[i,21] = 1 }
for ( i = 24; i <= 26 ; i++ )
{ coregn[i,21] = 1 }
for ( i = 5; i <= 8 ; i++ )
{ coregn[i,22] = 1 }
for ( i = 23; i <= 25 ; i++ )
{ coregn[i,22] = 1 }
for ( i = 5; i <= 7 ; i++ )
{ coregn[i,23] = 1 }
for ( i = 23; i <= 25 ; i++ )
{ coregn[i,23] = 1 }
for ( i = 5; i <= 6 ; i++ )
{ coregn[i,24] = 1 }
for ( i = 10; i <= 11 ; i++ )
{ coregn[i,24] = 1 }
for ( i = 23; i <= 25 ; i++ )
{ coregn[i,24] = 1 }
for ( i = 4; i <= 6 ; i++ )
{ coregn[i,25] = 1 }
for ( i = 9; i <= 11 ; i++ )
{ coregn[i,25] = 1 }
for ( i = 23; i <= 24 ; i++ )
{ coregn[i,25] = 1 }
for ( i = 4; i <= 6 ; i++ )
{ coregn[i,26] = 1 }
for ( i = 9; i <= 11; i++ )
{ coregn[i,26] = 1 }
for ( i = 4; i <= 11 ; i++ )
{ coregn[i,27] = 1 }
for ( i = 3; i <= 11 ; i++ )
{ coregn[i,28] = 1 }
for ( i = 3; i <= 12 ; i++ )
{ coregn[i,29] = 1 }
for ( i = 3; i <= 14 ; i++ )
{ coregn[i,30] = 1 }
for ( i = 2; i <= 14 ; i++ )
{ coregn[i,31] = 1 }
for ( i = 2; i <= 14 ; i++ )
{ coregn[i,32] = 1 }
for ( i = 2; i <= 14 ; i++ )
{ coregn[i,33] = 1 }
for ( i = 1; i <= 13 ; i++ )
{ coregn[i,34] = 1 }
for ( i = 1; i <= 13 ; i++ )
{ coregn[i,35] = 1 }
for ( i = 1; i <= 12 ; i++ )
{ coregn[i,36] = 1 }
coregn[37,37] = 1
for ( i = 2; i <= 11 ; i++ )
{ coregn[i,37] = 1 }
return
}
The moral of this story: when you report validation results for your structure, quote the method/program used ! A statement in your paper that "there are no outliers in the Ramachandran plot" is completely meaningless if you don't tell the reader which definition you use !
