==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-JUN-09 3HPV . COMPND 2 MOLECULE: CATECHOL 2,3-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP.; . AUTHOR J.-H.CHO,S.RHEE . 1161 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40121.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 796 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 108 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 298 25.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 84 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 2.2 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 0 1 0 0 0 7 1 1 4 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 12 4 0 0 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 . 9 0 6 13 5 10 3 3 0 0 0 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 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 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 2 A A 0 0 22 0, 0.0 878,-2.9 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 138.8 -52.1 -66.9 16.8 2 3 A M B +A 878 0A 4 1070,-0.3 876,-0.2 876,-0.2 2,-0.2 -0.830 360.0 162.5 -89.3 117.2 -50.1 -68.0 13.8 3 4 A T + 0 0 44 874,-3.1 2,-0.2 -2,-0.7 0, 0.0 -0.720 37.5 8.7-130.0 178.3 -52.2 -70.8 12.2 4 5 A G S S+ 0 0 16 -2,-0.2 69,-2.5 68,-0.1 2,-0.5 -0.296 122.9 22.9 55.8-116.4 -52.6 -72.7 8.9 5 6 A V E S-B 72 0B 2 167,-0.4 67,-0.2 67,-0.2 -2,-0.2 -0.751 72.9-177.9 -83.5 124.9 -49.7 -71.8 6.6 6 7 A L E - 0 0 0 65,-2.4 66,-0.2 -2,-0.5 -1,-0.2 0.919 44.4 -42.3 -91.1 -51.2 -46.9 -70.5 8.8 7 8 A R E S-B 71 0B 20 64,-1.1 64,-1.9 189,-0.1 -1,-0.3 -0.977 70.5 -59.1-170.7 172.0 -43.9 -69.4 6.7 8 9 A P E +B 70 0B 4 0, 0.0 62,-0.3 0, 0.0 143,-0.2 -0.522 48.8 179.9 -66.9 135.7 -41.6 -70.0 3.7 9 10 A G E - 0 0 6 60,-4.0 2,-0.3 1,-0.4 61,-0.2 0.725 51.7 -22.1-111.6 -34.8 -40.1 -73.4 4.5 10 11 A H E -B 69 0B 0 59,-2.1 59,-3.4 108,-0.1 -1,-0.4 -0.947 41.1-151.9-173.4 156.6 -37.7 -74.2 1.6 11 12 A A E -Bc 68 55B 0 43,-1.5 45,-2.7 -2,-0.3 2,-0.6 -0.993 14.1-150.2-132.0 135.2 -36.9 -73.5 -1.9 12 13 A Q E -Bc 67 56B 8 55,-2.7 54,-2.8 -2,-0.4 55,-1.2 -0.962 23.1-171.3-110.6 117.7 -35.1 -76.0 -4.2 13 14 A V E -Bc 65 57B 0 43,-2.6 45,-2.5 -2,-0.6 2,-0.5 -0.834 20.4-122.4-113.9 148.1 -33.0 -74.3 -6.7 14 15 A R E -Bc 64 58B 48 50,-3.8 50,-0.8 -2,-0.3 2,-0.4 -0.779 23.7-166.8 -94.3 120.6 -31.2 -75.6 -9.8 15 16 A V E - c 0 59B 0 43,-2.0 45,-2.0 -2,-0.5 3,-0.3 -0.896 22.2-143.5-109.6 138.4 -27.4 -75.0 -10.0 16 17 A L S S+ 0 0 80 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.679 96.3 28.0 -67.4 -19.8 -25.4 -75.6 -13.2 17 18 A N > - 0 0 66 1,-0.1 4,-1.3 41,-0.1 -1,-0.3 -0.805 66.8-159.4-151.0 106.4 -22.5 -76.9 -11.1 18 19 A L H > S+ 0 0 20 -2,-0.3 4,-1.4 -3,-0.3 -1,-0.1 0.782 89.1 51.7 -52.4 -39.7 -22.9 -78.5 -7.8 19 20 A E H >> S+ 0 0 123 2,-0.2 4,-1.6 1,-0.2 3,-0.5 0.961 113.6 40.4 -69.1 -52.1 -19.4 -78.0 -6.4 20 21 A E H 3> S+ 0 0 88 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.739 112.3 63.6 -67.4 -17.8 -19.1 -74.3 -7.0 21 22 A G H 3X S+ 0 0 0 -4,-1.3 4,-1.5 1,-0.2 -1,-0.2 0.863 101.7 46.3 -73.0 -35.1 -22.7 -74.2 -5.8 22 23 A I H S+ 0 0 102 -4,-1.6 4,-2.6 2,-0.2 5,-0.6 0.917 110.2 47.5 -66.3 -46.4 -18.9 -73.0 -1.9 24 25 A F H X>S+ 0 0 14 -4,-1.6 4,-2.5 3,-0.2 5,-2.3 0.960 115.3 44.3 -60.6 -53.0 -20.8 -69.9 -2.8 25 26 A Y H <>S+ 0 0 0 -4,-1.5 6,-2.5 3,-0.2 5,-0.6 0.857 122.9 35.1 -63.4 -37.1 -23.8 -70.6 -0.6 26 27 A R H <5S+ 0 0 69 -4,-2.0 -1,-0.2 4,-0.2 -2,-0.2 0.813 130.5 30.5 -89.1 -28.3 -21.8 -71.8 2.4 27 28 A N H <5S+ 0 0 69 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.724 132.8 24.4-100.8 -31.0 -18.9 -69.4 2.1 28 29 A V T < - 0 0 21 4,-2.3 3,-1.1 -2,-0.4 63,-0.0 -0.337 32.2 -94.8-102.7-175.1 -28.7 -87.0 0.1 38 39 A D T 3 S+ 0 0 166 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.837 120.9 57.3 -62.7 -39.6 -28.5 -89.9 -2.4 39 40 A Q T 3 S- 0 0 115 1,-0.1 -1,-0.3 2,-0.1 0, 0.0 0.533 121.3-110.9 -70.3 -5.2 -29.9 -87.8 -5.3 40 41 A G < + 0 0 39 -3,-1.1 19,-0.3 1,-0.3 2,-0.3 0.745 66.9 150.5 82.1 22.4 -26.9 -85.6 -4.6 41 42 A R - 0 0 4 17,-0.1 -4,-2.3 15,-0.0 2,-0.5 -0.676 35.6-147.1 -85.2 144.2 -28.9 -82.7 -3.3 42 43 A V E -DE 36 57B 0 15,-1.6 15,-2.3 -2,-0.3 2,-0.3 -0.975 13.2-148.4-117.1 127.4 -27.1 -80.5 -0.7 43 44 A Y E +DE 35 56B 0 -8,-3.2 -9,-2.5 -2,-0.5 -8,-1.0 -0.754 17.3 175.5-101.7 143.8 -29.2 -78.9 2.0 44 45 A F E -DE 33 55B 0 11,-1.9 10,-3.0 -2,-0.3 11,-2.0 -0.883 10.6-168.2-138.1 167.4 -28.8 -75.6 3.9 45 46 A K E -D 32 0B 6 -13,-1.2 -13,-3.3 8,-0.3 2,-0.1 -0.977 37.1 -97.9-153.0 152.6 -30.5 -73.4 6.5 46 47 A C > - 0 0 0 -2,-0.3 3,-1.0 -15,-0.2 103,-0.1 -0.483 42.3-116.1 -67.1 151.1 -30.0 -69.8 7.7 47 48 A W T 3 S+ 0 0 2 101,-0.7 102,-0.1 -17,-0.3 -1,-0.1 0.863 112.9 48.5 -60.8 -36.7 -28.0 -70.0 11.0 48 49 A D T 3 S+ 0 0 20 100,-0.6 -1,-0.3 93,-0.1 1101,-0.2 0.626 91.4 95.6 -82.9 -8.7 -30.7 -68.5 13.0 49 50 A E < - 0 0 25 -3,-1.0 101,-0.1 1,-0.1 -4,-0.1 -0.192 64.6-146.6 -71.3 171.2 -33.5 -70.8 11.7 50 51 A R + 0 0 17 78,-0.1 76,-2.3 76,-0.1 77,-1.9 0.688 66.0 85.8-112.9 -22.5 -34.4 -73.9 13.6 51 52 A D B S-I 125 0C 12 74,-0.3 74,-0.2 75,-0.2 73,-0.1 -0.473 87.4-106.4 -85.4 152.5 -35.4 -76.4 11.0 52 53 A H S S+ 0 0 12 72,-3.0 2,-0.3 50,-0.2 73,-0.1 0.791 93.0 1.7 -40.9 -45.6 -33.0 -78.7 9.1 53 54 A S + 0 0 3 71,-0.2 -8,-0.3 -44,-0.1 -1,-0.1 -0.997 35.2 167.9-153.6 155.8 -33.3 -76.8 5.8 54 55 A C S S+ 0 0 2 -10,-3.0 -43,-1.5 -2,-0.3 2,-0.4 0.411 83.3 45.5-135.7 -15.8 -34.7 -73.8 3.9 55 56 A Y E -cE 11 44B 1 -11,-2.0 -11,-1.9 -45,-0.2 2,-0.4 -0.937 61.1-176.9-140.8 116.0 -32.5 -73.9 0.8 56 57 A I E -cE 12 43B 0 -45,-2.7 -43,-2.6 -2,-0.4 2,-0.4 -0.947 11.4-153.4-116.7 132.4 -31.8 -77.0 -1.3 57 58 A I E -cE 13 42B 0 -15,-2.3 -15,-1.6 -2,-0.4 2,-0.4 -0.876 10.5-174.4-107.3 129.3 -29.5 -77.1 -4.3 58 59 A R E -c 14 0B 84 -45,-2.5 -43,-2.0 -2,-0.4 -17,-0.1 -0.982 25.2-121.7-128.0 128.4 -29.7 -79.6 -7.2 59 60 A E E +c 15 0B 109 -2,-0.4 2,-0.3 -19,-0.3 -43,-0.2 -0.326 49.0 141.7 -64.8 142.0 -27.3 -79.9 -10.1 60 61 A A - 0 0 17 -45,-2.0 3,-0.0 1,-0.1 -42,-0.0 -0.981 62.8-102.7-167.4 178.2 -28.9 -79.5 -13.6 61 62 A D S S+ 0 0 159 -2,-0.3 2,-0.4 1,-0.1 -45,-0.1 0.630 104.3 49.6 -85.7 -18.3 -28.9 -78.3 -17.1 62 63 A T S S- 0 0 83 -47,-0.1 2,-0.1 2,-0.0 -1,-0.1 -0.964 75.4-135.9-128.0 141.4 -31.1 -75.4 -16.3 63 64 A A + 0 0 30 -2,-0.4 2,-0.2 198,-0.1 -48,-0.2 -0.441 57.9 78.5 -85.9 167.0 -31.1 -72.7 -13.6 64 65 A G E S-B 14 0B 12 -50,-0.8 -50,-3.8 -2,-0.1 2,-0.5 -0.742 81.0 -48.1 128.0-176.4 -34.2 -71.8 -11.8 65 66 A I E -B 13 0B 16 146,-0.4 -52,-0.3 -52,-0.2 51,-0.2 -0.837 27.1-168.9-103.6 127.2 -36.5 -73.1 -9.0 66 67 A D E S- 0 0 21 -54,-2.8 50,-0.4 -2,-0.5 2,-0.3 0.938 73.8 -30.5 -73.5 -48.0 -37.7 -76.7 -8.9 67 68 A F E -B 12 0B 7 -55,-1.2 -55,-2.7 48,-0.1 2,-0.4 -0.993 48.2-135.6-166.0 165.9 -40.2 -75.8 -6.1 68 69 A F E -Bf 11 117B 2 48,-1.9 50,-1.8 -2,-0.3 2,-0.3 -0.977 24.4-163.4-134.1 120.9 -41.0 -73.6 -3.2 69 70 A G E -Bf 10 118B 0 -59,-3.4 -60,-4.0 -2,-0.4 -59,-2.1 -0.821 10.9-155.7-117.2 149.4 -42.5 -74.9 0.1 70 71 A F E -Bf 8 119B 0 48,-2.8 50,-1.9 -2,-0.3 2,-0.4 -0.827 20.8-128.7-110.9 147.1 -44.3 -73.5 3.1 71 72 A K E -Bf 7 120B 11 -64,-1.9 -65,-2.4 -2,-0.3 -64,-1.1 -0.811 25.4-152.8 -96.3 139.1 -44.4 -75.1 6.6 72 73 A V E -B 5 0B 0 48,-3.1 -67,-0.2 -2,-0.4 6,-0.1 -0.828 26.8-103.6-112.9 153.8 -47.9 -75.5 8.0 73 74 A L S S- 0 0 49 -69,-2.5 2,-0.3 -2,-0.3 -68,-0.1 0.728 85.6 -28.7 -41.2 -45.1 -48.9 -75.6 11.7 74 75 A D > - 0 0 61 -70,-0.2 4,-2.2 1,-0.1 3,-0.3 -0.980 68.0 -81.5-169.2 170.2 -49.5 -79.4 12.0 75 76 A K H > S+ 0 0 119 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.849 124.4 51.9 -51.1 -43.5 -50.5 -82.7 10.4 76 77 A A H > S+ 0 0 71 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.892 108.6 49.7 -63.9 -41.7 -54.2 -81.9 10.7 77 78 A T H > S+ 0 0 19 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.872 110.1 54.0 -64.7 -36.1 -53.8 -78.4 9.1 78 79 A L H X S+ 0 0 3 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.940 108.2 45.3 -64.5 -49.8 -51.9 -80.2 6.3 79 80 A E H X S+ 0 0 81 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.859 114.7 51.6 -63.0 -33.4 -54.6 -82.8 5.4 80 81 A K H X S+ 0 0 113 -4,-1.8 4,-2.8 -5,-0.2 -2,-0.2 0.940 110.1 46.4 -69.1 -46.8 -57.2 -80.0 5.6 81 82 A L H X S+ 0 0 11 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.909 111.4 52.9 -61.2 -42.9 -55.2 -77.7 3.2 82 83 A D H X S+ 0 0 21 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.954 111.0 48.1 -55.9 -47.8 -54.7 -80.7 0.8 83 84 A A H X S+ 0 0 50 -4,-2.2 4,-2.5 1,-0.2 3,-0.4 0.931 111.5 48.3 -59.0 -48.8 -58.5 -81.2 0.9 84 85 A D H X S+ 0 0 59 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.817 107.2 55.2 -65.5 -30.6 -59.3 -77.6 0.3 85 86 A L H X>S+ 0 0 0 -4,-2.3 5,-2.1 2,-0.2 4,-1.0 0.832 110.3 47.8 -69.6 -31.4 -56.9 -77.3 -2.6 86 87 A Q H ><5S+ 0 0 89 -4,-1.5 3,-1.1 -3,-0.4 -2,-0.2 0.977 110.8 50.0 -69.0 -57.2 -58.7 -80.3 -4.2 87 88 A A H 3<5S+ 0 0 93 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.756 107.9 54.1 -50.7 -33.6 -62.2 -78.7 -3.5 88 89 A Y H 3<5S- 0 0 75 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.807 126.4 -99.7 -74.7 -29.4 -61.0 -75.5 -5.2 89 90 A G T <<5S+ 0 0 60 -3,-1.1 2,-0.2 -4,-1.0 -3,-0.2 0.357 78.6 127.1 130.6 -6.6 -60.0 -77.4 -8.3 90 91 A L < - 0 0 25 -5,-2.1 -1,-0.4 -6,-0.2 2,-0.3 -0.568 57.1-124.5 -83.2 144.7 -56.2 -77.9 -8.1 91 92 A T - 0 0 115 -2,-0.2 2,-0.4 19,-0.2 19,-0.4 -0.680 27.6-146.2 -87.6 145.6 -54.8 -81.4 -8.5 92 93 A T - 0 0 30 -2,-0.3 2,-0.4 17,-0.1 17,-0.2 -0.892 9.8-159.2-116.5 142.2 -52.6 -82.4 -5.6 93 94 A T E -G 108 0B 77 15,-2.5 15,-3.0 -2,-0.4 2,-0.6 -0.923 13.0-143.7-116.0 144.7 -49.5 -84.6 -5.5 94 95 A R E -G 107 0B 80 -2,-0.4 13,-0.2 13,-0.2 11,-0.0 -0.923 8.1-159.0-115.6 112.2 -48.3 -86.3 -2.4 95 96 A I E -G 106 0B 11 11,-2.6 11,-1.4 -2,-0.6 3,-0.1 -0.735 26.7-118.1 -87.6 126.0 -44.6 -86.6 -1.8 96 97 A P > - 0 0 87 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.327 31.8 -96.4 -67.4 146.3 -43.7 -89.4 0.7 97 98 A A T 3 S+ 0 0 66 1,-0.3 7,-0.2 2,-0.1 8,-0.2 -0.188 110.8 29.3 -54.6 146.6 -41.9 -88.6 3.9 98 99 A G T 3 S+ 0 0 57 5,-2.7 -1,-0.3 2,-0.4 6,-0.1 0.191 83.5 110.6 84.2 -18.9 -38.1 -89.1 3.8 99 100 A E S < S+ 0 0 61 -3,-1.8 2,-0.4 4,-0.2 -2,-0.1 0.811 88.0 39.2 -56.6 -27.7 -38.1 -88.2 0.1 100 101 A M S > S- 0 0 1 3,-0.3 3,-2.1 -4,-0.2 -2,-0.4 -0.968 115.2 -91.5-120.2 136.3 -36.3 -85.1 1.4 101 102 A L T 3 S- 0 0 48 -2,-0.4 3,-0.1 1,-0.3 -2,-0.1 -0.205 105.2 -6.7 -49.1 135.7 -33.8 -85.5 4.2 102 103 A E T 3 S+ 0 0 94 1,-0.1 22,-2.4 -4,-0.1 2,-0.4 0.557 106.6 124.4 54.4 16.8 -35.5 -85.0 7.6 103 104 A T B < -J 123 0D 6 -3,-2.1 -5,-2.7 20,-0.2 -3,-0.3 -0.837 54.0-137.1-113.8 144.7 -38.9 -84.0 6.1 104 105 A G - 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