==== 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 10-MAR-07 2EI2 . COMPND 2 MOLECULE: 1,2-DIHYDROXYNAPHTHALENE DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP.; . AUTHOR D.B.NEAU,M.S.KELKER,C.L.COLBERT,J.T.BOLIN . 299 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13258.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 25.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 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 . 1 0.3 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 . 17 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 0 1 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 2 0 1 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 . 4 4 2 3 0 0 1 2 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 1 0 0 0 0 1 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 4 A N 0 0 186 0, 0.0 2,-0.2 0, 0.0 73,-0.1 0.000 360.0 360.0 360.0-176.3 1.2 10.3 32.5 2 5 A A + 0 0 16 71,-0.1 2,-0.3 72,-0.1 67,-0.0 -0.453 360.0 153.3 -67.4 129.4 1.0 14.1 32.2 3 6 A A - 0 0 29 -2,-0.2 67,-0.5 165,-0.1 165,-0.2 -0.992 50.5 -93.1-152.5 153.6 3.7 15.6 30.0 4 7 A V E -A 69 0A 2 163,-3.0 65,-0.2 -2,-0.3 3,-0.1 -0.495 34.9-171.7 -59.6 139.5 4.5 18.5 27.8 5 8 A I E - 0 0 60 63,-3.1 2,-0.3 1,-0.3 64,-0.2 0.588 55.9 -4.2-115.9 -20.5 3.6 17.6 24.2 6 9 A E E -A 68 0A 7 62,-0.9 62,-2.6 187,-0.1 2,-0.9 -0.966 66.2-100.1-163.9 157.4 5.0 20.5 22.1 7 10 A L E +A 67 0A 0 138,-0.3 140,-2.6 -2,-0.3 141,-0.2 -0.787 47.3 179.1 -75.6 107.7 6.7 23.9 21.9 8 11 A G E - 0 0 0 58,-2.4 2,-0.3 -2,-0.9 59,-0.2 0.930 50.6 -18.2 -85.1 -52.5 3.5 25.8 21.4 9 12 A Y E -A 66 0A 5 57,-1.6 57,-3.1 137,-0.0 2,-0.3 -0.935 51.9-153.0-146.7 169.1 4.6 29.4 21.2 10 13 A M E -Ab 65 52A 0 41,-1.8 43,-2.4 -2,-0.3 2,-0.4 -0.991 8.5-146.0-144.9 152.1 7.4 31.8 22.1 11 14 A G E +Ab 64 53A 0 53,-2.7 52,-3.1 -2,-0.3 53,-1.7 -0.945 18.5 178.9-115.9 138.1 7.6 35.5 22.8 12 15 A I E -Ab 62 54A 2 41,-2.8 43,-2.9 -2,-0.4 2,-0.4 -0.899 18.7-139.8-128.8 160.1 10.6 37.7 21.9 13 16 A S E -Ab 61 55A 3 48,-2.5 48,-1.1 -2,-0.3 2,-0.3 -0.982 21.5-170.6-124.0 143.8 11.2 41.3 22.4 14 17 A V - 0 0 0 41,-2.5 44,-2.2 -2,-0.4 43,-0.1 -0.904 30.2-146.7-133.6 153.8 12.9 43.5 19.7 15 18 A K S S+ 0 0 145 -2,-0.3 42,-0.2 1,-0.2 -1,-0.1 0.701 97.9 40.1 -87.5 -21.7 14.3 47.0 19.4 16 19 A D > + 0 0 86 1,-0.1 4,-1.9 40,-0.1 -1,-0.2 -0.753 58.8 172.7-134.8 82.5 13.3 47.4 15.7 17 20 A P H > S+ 0 0 26 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.908 81.3 56.5 -61.6 -41.1 9.8 46.0 14.9 18 21 A D H > S+ 0 0 117 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.909 108.3 47.2 -55.6 -45.3 9.8 47.4 11.3 19 22 A A H > S+ 0 0 32 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.872 111.4 52.8 -62.5 -38.9 13.0 45.5 10.5 20 23 A W H X S+ 0 0 9 -4,-1.9 4,-3.1 2,-0.2 5,-0.3 0.886 105.9 52.2 -66.8 -39.3 11.6 42.4 12.0 21 24 A K H X S+ 0 0 54 -4,-2.6 4,-2.0 2,-0.2 5,-0.3 0.937 113.8 43.5 -61.9 -46.3 8.4 42.5 9.9 22 25 A S H X>S+ 0 0 67 -4,-1.9 4,-2.4 -5,-0.2 5,-0.6 0.904 115.9 48.7 -64.6 -42.8 10.4 42.8 6.7 23 26 A F H X>S+ 0 0 15 -4,-2.5 4,-1.6 3,-0.2 5,-1.1 0.944 112.5 46.8 -59.7 -51.4 12.9 40.1 7.9 24 27 A A H <>S+ 0 0 0 -4,-3.1 6,-2.1 3,-0.2 5,-0.7 0.900 120.7 37.3 -64.2 -40.5 10.2 37.6 8.9 25 28 A T H X5S+ 0 0 26 -4,-2.0 4,-0.7 -5,-0.3 -2,-0.2 0.960 126.3 30.8 -76.9 -52.3 8.2 38.0 5.7 26 29 A D H <5S+ 0 0 76 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.876 127.8 35.7 -77.8 -42.4 10.8 38.4 3.0 27 30 A M T < - 0 0 70 3,-0.3 3,-0.7 1,-0.1 -1,-0.3 -0.544 46.8-135.7 -75.2 138.2 -2.0 46.5 19.7 38 41 A K T 3 S+ 0 0 200 -2,-0.2 -1,-0.1 1,-0.2 3,-0.1 0.789 96.0 35.1 -63.0 -29.1 0.4 49.3 20.5 39 42 A D T 3 S+ 0 0 68 1,-0.1 17,-2.9 17,-0.1 2,-0.3 0.308 115.9 23.2-116.8 7.5 3.2 47.1 21.9 40 43 A R E < - D 0 55A 27 -3,-0.7 -3,-0.3 15,-0.3 2,-0.3 -0.994 45.7-163.3-166.1 156.4 3.3 43.9 19.9 41 44 A F E - D 0 54A 0 13,-2.0 13,-3.2 -2,-0.3 2,-0.3 -0.871 23.6-119.7-137.0 179.7 2.5 41.9 16.8 42 45 A Y E -CD 33 53A 3 -9,-2.7 -9,-2.7 -2,-0.3 2,-0.4 -0.860 5.1-149.6-124.9 150.9 2.3 38.3 15.9 43 46 A L E -CD 32 52A 0 9,-2.7 8,-2.7 -2,-0.3 9,-2.0 -0.990 18.1-161.6-118.7 133.2 4.0 35.8 13.5 44 47 A R E +C 31 0A 0 -13,-2.2 -13,-2.0 -2,-0.4 6,-0.1 -0.794 22.8 170.8-111.3 153.7 2.0 32.8 12.1 45 48 A M S S- 0 0 3 -2,-0.3 95,-0.6 3,-0.2 2,-0.2 0.366 73.1 -10.0-135.5 -6.8 3.2 29.6 10.5 46 49 A D S S- 0 0 21 2,-0.3 85,-0.1 93,-0.1 -1,-0.1 -0.743 106.0 -43.6-169.8-155.1 -0.0 27.5 10.3 47 50 A Y S S+ 0 0 107 -2,-0.2 78,-2.7 83,-0.1 81,-0.2 0.671 96.1 108.0 -75.6 -16.1 -3.7 27.6 11.5 48 51 A W B S-H 124 0B 23 76,-0.3 -2,-0.3 1,-0.1 76,-0.3 -0.296 85.4-116.8 -56.7 146.0 -2.8 28.7 15.1 49 52 A H S S- 0 0 2 74,-2.5 2,-0.3 1,-0.2 -1,-0.1 0.939 91.7 -24.4 -48.5 -46.2 -3.7 32.3 15.8 50 53 A H - 0 0 11 73,-0.4 -6,-0.2 1,-0.1 -1,-0.2 -0.982 42.4-162.5-156.6 162.6 0.1 32.8 16.2 51 54 A R S S+ 0 0 0 -8,-2.7 -41,-1.8 1,-0.3 2,-0.4 0.525 84.5 38.7-113.9 -23.9 3.3 30.9 17.1 52 55 A I E -bD 10 43A 7 -9,-2.0 -9,-2.7 -43,-0.2 2,-0.5 -0.998 64.0-155.9-132.0 130.8 5.6 33.9 17.9 53 56 A V E -bD 11 42A 4 -43,-2.4 -41,-2.8 -2,-0.4 2,-0.7 -0.927 10.0-157.3-102.7 129.8 4.7 37.1 19.7 54 57 A V E -bD 12 41A 0 -13,-3.2 -13,-2.0 -2,-0.5 2,-0.3 -0.912 8.7-162.5-112.9 102.8 7.0 40.0 18.9 55 58 A H E -bD 13 40A 26 -43,-2.9 -41,-2.5 -2,-0.7 3,-0.3 -0.666 11.0-136.2 -84.8 139.9 7.0 42.6 21.7 56 59 A H S S+ 0 0 50 -17,-2.9 -41,-0.1 -2,-0.3 3,-0.1 -0.246 80.8 40.3 -83.1 175.5 8.3 46.2 21.0 57 60 A N S S+ 0 0 162 -42,-0.2 -42,-0.2 -43,-0.1 -1,-0.2 0.849 95.9 147.3 58.8 38.1 10.6 48.3 23.2 58 61 A G - 0 0 15 -44,-2.2 -1,-0.1 -3,-0.3 -44,-0.1 0.052 65.1-109.7-105.5-160.7 12.6 45.2 23.9 59 62 A Q - 0 0 126 2,-0.2 -45,-0.2 -3,-0.1 3,-0.1 0.204 54.1-111.3-118.3 8.7 15.9 43.7 24.7 60 63 A D S S+ 0 0 24 1,-0.2 2,-0.3 -47,-0.2 -46,-0.2 0.921 86.1 91.2 56.6 47.6 16.5 41.8 21.4 61 64 A D E S-A 13 0A 18 -48,-1.1 -48,-2.5 147,-0.1 -1,-0.2 -0.927 84.9 -61.4-155.6 172.9 16.1 38.4 23.2 62 65 A L E -A 12 0A 0 -2,-0.3 -50,-0.3 -50,-0.2 147,-0.2 -0.394 34.6-177.4 -58.9 138.5 13.7 35.7 24.3 63 66 A E E - 0 0 47 -52,-3.1 2,-0.3 1,-0.4 -51,-0.2 0.714 64.3 -18.6-106.9 -40.2 10.9 36.7 26.6 64 67 A Y E -A 11 0A 11 -53,-1.7 -53,-2.7 50,-0.1 2,-0.4 -0.964 47.1-137.5-165.1 150.7 9.2 33.3 27.2 65 68 A L E -Ae 10 116A 1 50,-1.7 52,-2.9 -2,-0.3 2,-0.6 -0.965 21.6-150.7-108.8 132.9 8.8 29.8 25.9 66 69 A G E -Ae 9 117A 0 -57,-3.1 -58,-2.4 -2,-0.4 -57,-1.6 -0.925 10.0-165.4-108.1 115.7 5.2 28.3 25.9 67 70 A W E -Ae 7 118A 0 50,-3.1 52,-2.3 -2,-0.6 2,-0.3 -0.852 13.2-138.0-105.4 129.3 5.0 24.5 26.3 68 71 A R E -Ae 6 119A 63 -62,-2.6 -63,-3.1 -2,-0.5 -62,-0.9 -0.620 13.9-167.6 -90.3 140.6 1.7 22.8 25.6 69 72 A V E -A 4 0A 0 50,-2.4 52,-0.4 -2,-0.3 -65,-0.1 -0.846 34.7-111.2-114.6 163.6 -0.0 20.0 27.6 70 73 A A S S- 0 0 62 -67,-0.5 2,-0.3 -2,-0.3 51,-0.2 0.890 78.9 -36.1 -66.4 -39.6 -2.9 18.0 26.2 71 74 A G S > S- 0 0 11 49,-0.1 4,-2.4 1,-0.1 3,-0.2 -0.928 73.7 -64.2-167.2-173.5 -5.7 19.3 28.5 72 75 A K H > S+ 0 0 110 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.867 122.4 55.4 -60.8 -39.9 -6.8 20.5 31.9 73 76 A P H > S+ 0 0 91 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.924 112.1 43.6 -60.6 -42.5 -6.1 17.1 33.7 74 77 A E H > S+ 0 0 62 2,-0.2 4,-2.5 -3,-0.2 5,-0.2 0.875 111.6 54.8 -66.8 -39.2 -2.5 17.1 32.5 75 78 A F H X S+ 0 0 14 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.939 111.8 43.8 -56.7 -49.7 -2.1 20.8 33.3 76 79 A E H X S+ 0 0 118 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.909 113.8 49.5 -68.6 -41.1 -3.2 20.2 36.9 77 80 A A H X S+ 0 0 53 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.914 112.5 47.7 -62.9 -43.6 -1.1 17.0 37.4 78 81 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.910 108.6 54.9 -66.7 -40.1 2.0 18.7 36.1 79 82 A G H X S+ 0 0 5 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.930 110.9 44.9 -56.4 -46.2 1.5 21.8 38.3 80 83 A Q H X S+ 0 0 99 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.838 109.8 55.5 -69.3 -33.9 1.3 19.6 41.4 81 84 A K H X S+ 0 0 81 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.895 109.7 46.8 -62.5 -43.7 4.3 17.6 40.2 82 85 A L H <>S+ 0 0 0 -4,-2.3 5,-2.3 2,-0.2 4,-0.3 0.895 113.1 48.7 -64.9 -44.5 6.4 20.8 40.0 83 86 A I H ><5S+ 0 0 85 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.925 110.2 51.3 -61.6 -44.7 5.2 22.0 43.4 84 87 A D H 3<5S+ 0 0 120 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.821 107.5 52.8 -65.5 -30.5 6.0 18.6 45.0 85 88 A A T 3<5S- 0 0 50 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.460 124.5-101.8 -87.3 -0.9 9.6 18.6 43.6 86 89 A G T < 5S+ 0 0 42 -3,-1.4 -3,-0.2 -4,-0.3 2,-0.2 0.498 73.1 139.1 101.3 5.2 10.2 22.1 45.0 87 90 A Y < - 0 0 42 -5,-2.3 2,-0.6 -6,-0.2 -1,-0.3 -0.485 51.9-120.8 -83.3 153.3 9.8 24.4 42.0 88 91 A K + 0 0 175 21,-0.2 21,-0.4 -2,-0.2 2,-0.3 -0.840 40.0 166.9 -98.1 119.9 8.0 27.8 42.3 89 92 A I - 0 0 36 -2,-0.6 2,-0.4 19,-0.1 19,-0.2 -0.874 23.8-152.7-127.2 162.0 5.0 28.2 40.0 90 93 A R E -F 107 0A 120 17,-1.7 17,-2.6 -2,-0.3 2,-0.5 -0.974 13.0-142.3-134.8 124.6 2.1 30.6 39.6 91 94 A I E -F 106 0A 99 -2,-0.4 15,-0.2 15,-0.2 2,-0.1 -0.746 30.3-131.3 -82.1 126.2 -1.3 29.6 38.1 92 95 A C - 0 0 17 13,-2.5 13,-0.4 -2,-0.5 2,-0.1 -0.464 10.8-123.0 -83.0 150.5 -2.5 32.6 36.1 93 96 A D > - 0 0 98 -2,-0.1 4,-2.2 11,-0.1 3,-0.3 -0.242 40.2 -88.2 -80.1 176.3 -5.9 34.2 36.2 94 97 A K H > S+ 0 0 174 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.855 124.1 55.0 -58.3 -42.1 -8.2 34.7 33.2 95 98 A V H > S+ 0 0 111 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.913 111.2 45.4 -58.3 -43.9 -6.8 38.1 32.1 96 99 A E H > S+ 0 0 37 -3,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.891 113.8 49.2 -67.9 -38.7 -3.3 36.7 32.0 97 100 A A H X>S+ 0 0 7 -4,-2.2 5,-2.0 1,-0.2 4,-0.6 0.910 109.3 52.3 -65.3 -42.1 -4.5 33.6 30.1 98 101 A Q H ><5S+ 0 0 137 -4,-3.0 3,-0.7 1,-0.2 -1,-0.2 0.858 101.0 62.0 -63.2 -34.9 -6.5 35.7 27.7 99 102 A E H 3<5S+ 0 0 73 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.906 111.5 38.1 -54.1 -44.2 -3.3 37.7 27.0 100 103 A R H 3<5S- 0 0 21 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.511 112.7-123.0 -83.8 -5.9 -1.6 34.5 25.7 101 104 A M T <<5 + 0 0 40 -3,-0.7 22,-1.0 -4,-0.6 2,-0.3 0.910 68.2 126.6 59.5 48.8 -4.9 33.4 24.0 102 105 A V E < - 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