==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 13-FEB-13 4J7G . COMPND 2 MOLECULE: EVAA 2,3-DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AMYCOLATOPSIS ORIENTALIS; . AUTHOR H.M.HOLDEN,R.L.KUBIAK,J.B.THODEN . 893 7 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39321.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 588 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 212 23.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 85 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 2 0 6 0 2 0 1 0 3 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 2 10 8 4 0 6 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 11 A A 0 0 146 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 106.3 22.1 56.2 -51.2 2 12 A V - 0 0 151 0, 0.0 3,-0.0 0, 0.0 0, 0.0 -0.407 360.0-164.3 -84.6 167.2 18.4 56.9 -51.0 3 13 A R - 0 0 124 -2,-0.1 4,-0.0 4,-0.0 0, 0.0 -0.942 36.6 -72.3-139.4 167.5 15.8 54.3 -52.3 4 14 A P > - 0 0 88 0, 0.0 3,-1.8 0, 0.0 -1,-0.0 -0.270 43.6-120.9 -60.0 148.5 12.1 54.5 -53.1 5 15 A R T 3 S+ 0 0 249 1,-0.3 0, 0.0 -3,-0.0 0, 0.0 0.791 115.5 45.0 -67.9 -23.9 9.9 54.8 -50.0 6 16 A D T 3 S+ 0 0 141 3,-0.0 3,-0.3 0, 0.0 -1,-0.3 0.040 86.3 153.0-103.8 28.1 8.2 51.5 -51.1 7 17 A H < + 0 0 77 -3,-1.8 -4,-0.0 1,-0.2 -2,-0.0 -0.165 57.9 16.8 -59.9 144.3 11.4 49.7 -52.0 8 18 A H S S- 0 0 86 1,-0.2 2,-0.4 2,-0.0 -1,-0.2 0.950 75.3-169.0 61.9 52.7 11.6 45.9 -51.8 9 19 A D - 0 0 109 -3,-0.3 3,-0.3 1,-0.1 4,-0.2 -0.586 9.7-164.7 -70.5 129.1 7.9 45.2 -51.7 10 20 A Y > + 0 0 12 -2,-0.4 4,-2.8 1,-0.2 3,-0.3 0.389 57.5 108.1 -97.6 8.8 7.4 41.5 -50.8 11 21 A A H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 223,-0.2 0.860 79.7 46.3 -60.4 -44.4 3.7 41.3 -51.9 12 22 A D H > S+ 0 0 130 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.889 115.2 46.6 -64.3 -33.7 4.4 39.2 -55.1 13 23 A R H > S+ 0 0 73 -3,-0.3 4,-2.3 2,-0.2 107,-0.4 0.860 112.7 50.5 -72.9 -41.1 6.7 36.8 -53.2 14 24 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.928 110.2 50.4 -63.1 -47.0 4.2 36.5 -50.3 15 25 A A H X S+ 0 0 55 -4,-2.5 4,-1.5 -5,-0.3 -2,-0.2 0.915 109.8 49.4 -56.8 -44.0 1.5 35.8 -52.8 16 26 A L H X S+ 0 0 88 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.915 111.5 49.4 -64.0 -40.7 3.5 33.0 -54.6 17 27 A S H >< S+ 0 0 0 -4,-2.3 191,-2.0 1,-0.2 3,-1.1 0.917 109.6 51.2 -65.1 -39.6 4.3 31.4 -51.3 18 28 A A H 3< S+ 0 0 9 -4,-2.4 -1,-0.2 189,-0.3 -2,-0.2 0.804 109.4 51.7 -67.6 -29.2 0.6 31.5 -50.2 19 29 A A H 3< S+ 0 0 73 -4,-1.5 2,-0.5 -5,-0.2 -1,-0.3 0.518 98.5 79.0 -79.2 -8.6 -0.4 29.8 -53.5 20 30 A T << + 0 0 28 -3,-1.1 188,-0.6 -4,-0.6 189,-0.5 -0.879 41.8 169.9-109.5 123.5 2.1 26.9 -53.1 21 31 A T + 0 0 49 -2,-0.5 2,-1.1 187,-0.2 7,-0.4 0.444 57.8 95.9-111.3 1.2 1.5 23.9 -50.8 22 32 A D - 0 0 143 5,-0.1 2,-0.2 6,-0.1 5,-0.1 -0.752 61.9-173.5 -86.3 94.5 4.4 21.9 -52.1 23 33 A G - 0 0 23 -2,-1.1 182,-0.1 3,-0.4 -2,-0.1 -0.537 32.1-124.0 -97.7 159.0 7.2 22.7 -49.6 24 34 A V S S+ 0 0 66 -2,-0.2 3,-0.1 1,-0.1 181,-0.1 0.749 102.2 33.5 -64.2 -31.7 10.9 21.7 -49.6 25 35 A Q S S+ 0 0 68 179,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.870 119.2 2.0-103.1 -39.2 10.9 20.0 -46.3 26 36 A M - 0 0 32 178,-0.4 -3,-0.4 177,-0.0 -1,-0.3 -0.998 64.2-109.3-153.6 145.3 7.7 18.2 -45.5 27 37 A R > - 0 0 137 -2,-0.3 3,-1.6 1,-0.1 4,-0.4 -0.557 35.7-124.2 -73.2 142.9 4.3 17.3 -46.9 28 38 A T G > S+ 0 0 22 -7,-0.4 3,-1.8 1,-0.3 4,-0.5 0.898 109.8 58.8 -59.2 -37.0 1.6 19.3 -45.1 29 39 A E G 3 S+ 0 0 138 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.661 102.7 55.9 -67.6 -14.9 -0.2 16.1 -44.2 30 40 A D G <> S+ 0 0 63 -3,-1.6 4,-1.6 1,-0.1 -1,-0.3 0.466 82.7 84.3 -90.8 -7.6 2.9 14.8 -42.4 31 41 A V H <> S+ 0 0 0 -3,-1.8 4,-2.8 -4,-0.4 5,-0.2 0.875 83.6 58.7 -66.6 -34.4 3.3 17.8 -40.0 32 42 A R H > S+ 0 0 168 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.955 109.1 46.1 -61.0 -44.1 0.8 16.4 -37.5 33 43 A A H > S+ 0 0 62 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.857 110.2 52.9 -61.3 -37.5 3.0 13.3 -37.2 34 44 A W H X S+ 0 0 19 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.908 108.3 50.7 -65.0 -45.0 6.2 15.3 -36.9 35 45 A I H X S+ 0 0 22 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.939 111.7 47.1 -61.3 -45.1 4.7 17.3 -34.1 36 46 A A H X S+ 0 0 42 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.883 110.2 54.3 -61.9 -37.7 3.7 14.1 -32.2 37 47 A E H X S+ 0 0 111 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.917 110.4 45.9 -63.3 -41.7 7.2 12.9 -33.0 38 48 A R H X S+ 0 0 50 -4,-2.8 4,-0.7 2,-0.2 -2,-0.2 0.883 111.8 51.4 -67.6 -37.3 8.6 16.0 -31.3 39 49 A R H >< S+ 0 0 107 -4,-2.7 3,-0.5 1,-0.2 -2,-0.2 0.890 113.2 44.6 -60.4 -42.4 6.2 15.7 -28.4 40 50 A D H 3< S+ 0 0 110 -4,-2.8 3,-0.3 1,-0.2 -2,-0.2 0.822 95.5 79.9 -76.1 -28.8 7.2 12.1 -27.8 41 51 A A H 3< S+ 0 0 58 -4,-1.8 2,-0.3 1,-0.3 -1,-0.2 0.782 115.7 7.0 -51.8 -36.2 10.9 13.1 -28.3 42 52 A N S << S- 0 0 67 -4,-0.7 -1,-0.3 -3,-0.5 2,-0.2 -0.871 84.5-141.8-139.3 121.4 11.0 14.4 -24.7 43 53 A V - 0 0 66 -3,-0.3 2,-0.4 -2,-0.3 255,-0.2 -0.536 16.7-167.5 -80.1 140.1 7.9 13.7 -22.6 44 54 A F - 0 0 36 -2,-0.2 2,-0.4 -5,-0.2 253,-0.2 -0.968 6.5-159.9-121.9 146.3 6.9 16.6 -20.3 45 55 A H E -A 296 0A 82 251,-2.5 251,-2.7 -2,-0.4 2,-0.5 -0.972 4.7-162.8-120.6 134.0 4.4 16.2 -17.5 46 56 A V E -A 295 0A 32 -2,-0.4 2,-0.4 249,-0.2 249,-0.2 -0.995 13.5-176.6-117.1 126.4 2.8 19.3 -16.2 47 57 A E E -A 294 0A 113 247,-2.7 247,-3.3 -2,-0.5 2,-0.2 -0.982 27.3-117.3-125.2 141.8 1.2 18.9 -12.9 48 58 A R E -A 293 0A 118 -2,-0.4 245,-0.3 245,-0.3 230,-0.0 -0.503 38.4-177.6 -73.6 144.1 -0.8 21.4 -10.8 49 59 A I E -A 292 0A 28 243,-2.3 243,-0.5 -2,-0.2 2,-0.1 -0.910 32.1 -95.2-142.9 153.6 0.8 22.2 -7.4 50 60 A P > - 0 0 40 0, 0.0 3,-1.5 0, 0.0 4,-0.4 -0.482 39.8-113.5 -69.9 156.0 -0.1 24.3 -4.4 51 61 A F G > S+ 0 0 16 226,-2.2 3,-1.7 1,-0.3 6,-0.1 0.848 115.7 67.0 -55.9 -38.0 1.5 27.7 -4.4 52 62 A A G 3 S+ 0 0 90 225,-0.5 -1,-0.3 1,-0.3 226,-0.1 0.788 96.3 55.3 -52.8 -31.9 3.6 26.6 -1.4 53 63 A D G < S+ 0 0 101 -3,-1.5 -1,-0.3 239,-0.0 -2,-0.2 0.485 75.5 118.1 -89.9 -1.9 5.4 24.1 -3.7 54 64 A L < - 0 0 13 -3,-1.7 240,-0.1 -4,-0.4 -3,-0.0 -0.464 54.6-154.7 -54.5 134.1 6.5 26.8 -6.1 55 65 A D S S+ 0 0 107 -2,-0.1 -1,-0.1 1,-0.1 249,-0.1 0.981 78.5 11.0 -84.1 -70.6 10.3 26.7 -6.0 56 66 A Q S S+ 0 0 86 247,-0.2 13,-3.6 12,-0.0 2,-0.3 0.209 112.2 88.1 -97.7 18.3 11.8 30.1 -7.1 57 67 A W E +F 68 0B 14 11,-0.3 2,-0.3 -6,-0.1 11,-0.2 -0.878 51.1 165.7-106.8 145.6 8.4 32.0 -7.0 58 68 A W E -F 67 0B 97 9,-2.6 9,-2.7 -2,-0.3 2,-0.9 -0.985 45.1-107.3-149.7 160.7 7.0 33.7 -4.0 59 69 A F E -F 66 0B 53 -2,-0.3 7,-0.2 7,-0.2 6,-0.1 -0.852 46.2-132.4 -81.4 107.5 4.4 36.2 -2.8 60 70 A E > - 0 0 65 5,-2.4 4,-2.2 -2,-0.9 5,-0.1 -0.217 18.2-121.7 -64.7 144.4 6.6 39.1 -2.0 61 71 A G T 4 S+ 0 0 71 1,-0.2 -1,-0.1 2,-0.2 -2,-0.0 0.859 97.2 42.1 -74.4 -30.2 5.6 40.5 1.4 62 72 A V T 4 S+ 0 0 145 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.936 131.2 22.1 -75.9 -41.2 4.7 44.2 1.1 63 73 A T T 4 S- 0 0 29 2,-0.1 205,-2.5 205,-0.1 206,-0.3 0.718 88.2-135.7 -99.5 -25.6 2.7 43.8 -2.1 64 74 A G < + 0 0 13 -4,-2.2 -3,-0.1 1,-0.2 2,-0.1 0.586 50.1 156.7 71.7 7.2 1.7 40.2 -2.1 65 75 A N - 0 0 9 -6,-0.1 -5,-2.4 -5,-0.1 2,-0.7 -0.398 49.2-119.0 -66.0 142.7 2.7 40.2 -5.8 66 76 A L E +FG 59 76B 0 10,-2.4 10,-2.4 -7,-0.2 2,-0.3 -0.792 50.0 165.2 -86.6 115.7 3.6 36.8 -7.2 67 77 A V E -F 58 0B 15 -9,-2.7 -9,-2.6 -2,-0.7 2,-0.5 -0.851 42.0-116.6-135.5 153.8 7.2 37.2 -8.4 68 78 A H E > -F 57 0B 21 4,-0.4 3,-2.2 6,-0.4 -11,-0.3 -0.820 30.6-128.4 -90.0 132.1 10.2 35.0 -9.4 69 79 A R T 3 S+ 0 0 140 -13,-3.6 -1,-0.1 -2,-0.5 -12,-0.1 0.817 106.3 56.5 -56.2 -27.9 13.1 35.5 -7.0 70 80 A S T 3 S- 0 0 65 -14,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.628 111.1-119.4 -75.1 -13.4 15.6 36.3 -9.8 71 81 A G S < S+ 0 0 69 -3,-2.2 -2,-0.1 1,-0.3 2,-0.1 0.493 74.7 117.4 86.4 0.9 13.4 39.1 -11.1 72 82 A R + 0 0 85 76,-0.1 -4,-0.4 2,-0.0 -1,-0.3 -0.428 52.7 25.8 -96.8-178.2 13.0 37.5 -14.4 73 83 A F S S- 0 0 63 -2,-0.1 2,-0.1 -3,-0.1 74,-0.0 -0.363 103.1 -46.9 67.1-144.0 9.9 36.2 -16.3 74 84 A F - 0 0 4 29,-0.1 -6,-0.4 30,-0.1 2,-0.3 -0.407 45.2-134.3-117.4 179.3 6.7 37.9 -15.3 75 85 A T E - H 0 102B 27 27,-2.4 27,-2.7 -2,-0.1 2,-0.6 -0.937 11.7-134.5-129.9 155.7 4.8 38.9 -12.2 76 86 A I E +GH 66 101B 3 -10,-2.4 -10,-2.4 -2,-0.3 25,-0.2 -0.981 41.9 156.3-108.2 122.2 1.2 38.6 -11.1 77 87 A E E - 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0 0 2 -88,-3.0 4,-2.8 -2,-0.5 5,-0.2 -0.147 29.4-101.3 -75.1 167.8 -41.3 -4.3 -27.7 882 451 B V H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.853 120.5 50.1 -61.7 -38.7 -38.0 -2.4 -27.4 883 452 B E H > S+ 0 0 12 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.908 113.6 47.3 -66.8 -39.6 -35.7 -5.4 -27.9 884 453 B A H > S+ 0 0 1 -91,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.876 109.4 53.7 -66.4 -38.3 -37.7 -6.4 -31.0 885 454 B R H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.935 107.9 51.8 -61.4 -42.5 -37.6 -2.8 -32.3 886 455 B T H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.947 111.0 46.0 -53.6 -50.1 -33.8 -3.0 -31.9 887 456 B L H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.854 109.3 55.5 -65.5 -32.1 -33.6 -6.2 -33.9 888 457 B L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.922 107.8 49.0 -68.4 -40.0 -35.9 -4.7 -36.6 889 458 B A H X S+ 0 0 7 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.883 112.5 48.6 -63.3 -37.1 -33.5 -1.7 -36.9 890 459 B C H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.906 111.0 49.9 -69.9 -39.8 -30.6 -4.2 -37.2 891 460 B I H X S+ 0 0 28 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.942 112.5 47.2 -62.2 -42.7 -32.5 -6.3 -39.8 892 461 B N H X S+ 0 0 24 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.899 111.8 51.1 -68.3 -34.1 -33.3 -3.1 -41.8 893 462 B A H X S+ 0 0 5 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.900 108.8 51.0 -65.0 -39.9 -29.6 -2.0 -41.5 894 463 B A H < S+ 0 0 30 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.855 111.4 48.8 -69.8 -31.3 -28.4 -5.4 -42.7 895 464 B A H < S+ 0 0 82 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.895 115.0 43.0 -72.2 -37.6 -30.7 -5.2 -45.7 896 465 B A H < S+ 0 0 31 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.888 134.3 14.0 -75.4 -41.1 -29.6 -1.6 -46.7 897 466 B Q S < S- 0 0 41 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 -0.653 79.6-160.7-140.8 72.2 -25.9 -2.1 -46.2 898 467 B P 0 0 103 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.240 360.0 360.0 -60.9 142.4 -25.0 -5.8 -45.9 899 468 B R 0 0 197 -5,-0.0 -5,-0.0 -237,-0.0 -237,-0.0 -0.536 360.0 360.0 -71.5 360.0 -21.6 -6.5 -44.3