==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 25-JUL-07 2QPZ . COMPND 2 MOLECULE: NAPHTHALENE 1,2-DIOXYGENASE SYSTEM FERREDOXIN . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR E.N.BROWN,S.RAMASWAMY,A.KARLSSON,R.FRIEMANN,J.V.PARALES, . 103 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5791.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 66 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 40.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 3.9 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 . 15 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 1.9 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+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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 2 2 0 2 0 0 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 1 2 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 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 1 A T 0 0 139 0, 0.0 2,-0.5 0, 0.0 100,-0.0 0.000 360.0 360.0 360.0 135.9 -1.3 36.1 6.7 2 2 A V + 0 0 95 100,-0.1 2,-0.4 2,-0.0 99,-0.1 -0.990 360.0 170.8-119.0 124.4 -1.7 33.2 4.3 3 3 A K - 0 0 121 -2,-0.5 99,-1.2 100,-0.3 100,-0.4 -0.922 21.6-147.2-136.9 109.1 -1.3 34.1 0.7 4 4 A W E -A 101 0A 82 -2,-0.4 2,-0.4 97,-0.2 97,-0.2 -0.594 16.0-176.0 -86.4 131.6 -1.1 31.3 -1.7 5 5 A I E -A 100 0A 39 95,-2.7 95,-2.8 -2,-0.4 2,-0.1 -0.974 30.7-113.8-126.0 135.4 1.0 31.7 -4.8 6 6 A E E +A 99 0A 88 -2,-0.4 93,-0.3 93,-0.2 3,-0.1 -0.448 37.0 172.4 -72.2 136.9 1.3 29.2 -7.6 7 7 A A E - 0 0 22 91,-3.5 2,-0.3 1,-0.4 92,-0.2 0.748 54.4 -20.8-109.7 -78.5 4.8 27.7 -7.8 8 8 A V E - 0 0 21 90,-0.5 90,-3.4 13,-0.1 -1,-0.4 -0.888 65.5 -96.4-133.0 162.1 5.0 24.8 -10.2 9 9 A A E > -A 97 0A 15 -2,-0.3 3,-1.2 88,-0.2 4,-0.2 -0.605 43.6-122.8 -66.9 140.8 2.7 22.4 -11.9 10 10 A L T 3 S+ 0 0 70 86,-2.5 3,-0.5 1,-0.3 87,-0.1 0.515 107.8 71.1 -72.0 -10.2 3.0 19.4 -9.7 11 11 A S T 3 S+ 0 0 94 85,-0.2 -1,-0.3 1,-0.2 86,-0.1 0.860 87.3 68.2 -65.5 -37.6 4.2 17.2 -12.7 12 12 A D S < S+ 0 0 83 -3,-1.2 2,-1.0 1,-0.2 -1,-0.2 0.730 87.3 74.5 -56.0 -23.1 7.4 19.2 -12.4 13 13 A I - 0 0 16 -3,-0.5 -1,-0.2 -4,-0.2 3,-0.1 -0.744 66.8-175.8 -95.9 94.3 8.1 17.5 -9.0 14 14 A L > - 0 0 110 -2,-1.0 3,-1.4 1,-0.2 18,-0.1 -0.177 47.8 -61.9 -65.3 175.1 9.2 13.8 -9.7 15 15 A E T 3 S+ 0 0 147 1,-0.2 -1,-0.2 16,-0.0 3,-0.1 -0.255 121.1 0.9 -60.6 149.4 9.8 11.6 -6.6 16 16 A G T 3 S+ 0 0 43 1,-0.1 -1,-0.2 -3,-0.1 40,-0.2 0.722 99.6 153.0 46.8 24.9 12.6 12.6 -4.1 17 17 A D < - 0 0 43 -3,-1.4 15,-2.5 2,-0.0 2,-0.4 -0.483 37.2-159.1 -84.5 145.3 13.1 15.6 -6.4 18 18 A V E -C 31 0B 27 13,-0.2 2,-0.4 34,-0.2 13,-0.2 -0.989 18.1-175.8-114.2 129.3 14.5 19.0 -5.2 19 19 A L E -C 30 0B 47 11,-2.5 11,-2.8 -2,-0.4 2,-0.4 -0.995 19.6-137.7-124.6 131.2 13.5 21.8 -7.6 20 20 A G E +C 29 0B 37 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.754 28.1 176.2 -85.5 133.1 14.5 25.4 -7.4 21 21 A V E -C 28 0B 14 7,-2.7 7,-2.5 -2,-0.4 2,-0.5 -0.899 25.5-143.0-131.6 161.6 11.8 28.0 -8.1 22 22 A T E +C 27 0B 89 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.984 24.8 176.0-129.2 117.5 11.7 31.7 -8.1 23 23 A V E > -C 26 0B 11 3,-2.6 3,-3.0 -2,-0.5 -16,-0.1 -0.994 69.4 -14.2-129.8 124.7 8.3 33.2 -6.8 24 24 A E T 3 S- 0 0 141 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.893 129.9 -53.5 48.9 39.3 7.6 36.8 -6.3 25 25 A G T 3 S+ 0 0 69 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.359 114.6 120.2 85.2 -9.4 11.3 37.4 -6.6 26 26 A K E < -C 23 0B 68 -3,-3.0 -3,-2.6 15,-0.0 2,-0.6 -0.765 59.1-137.1 -99.1 135.6 12.1 34.8 -3.8 27 27 A E E +C 22 0B 86 -2,-0.4 15,-2.2 -5,-0.2 16,-0.4 -0.802 33.2 172.1 -94.6 124.4 14.2 31.9 -4.5 28 28 A L E -CD 21 41B 0 -7,-2.5 -7,-2.7 -2,-0.6 2,-0.4 -0.810 27.7-136.0-129.0 158.4 12.8 28.7 -2.9 29 29 A A E -CD 20 40B 0 11,-2.8 11,-2.2 -2,-0.3 2,-0.4 -0.985 14.7-157.6-117.7 133.4 13.5 25.0 -3.0 30 30 A L E -CD 19 39B 0 -11,-2.8 -11,-2.5 -2,-0.4 2,-0.4 -0.906 12.3-167.7-110.6 133.4 10.7 22.5 -3.3 31 31 A Y E -CD 18 38B 0 7,-2.6 7,-2.4 -2,-0.4 2,-0.6 -0.978 15.6-144.6-123.9 142.0 11.3 19.0 -2.1 32 32 A E E + D 0 37B 23 -15,-2.5 2,-0.4 -2,-0.4 5,-0.2 -0.926 22.5 175.7-107.5 124.8 9.3 15.7 -2.5 33 33 A V E > - D 0 36B 19 3,-2.5 3,-2.6 -2,-0.6 26,-0.1 -0.972 67.2 -37.3-133.1 108.3 9.4 13.5 0.5 34 34 A E T 3 S- 0 0 159 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.839 125.8 -40.4 44.3 52.2 7.3 10.2 0.5 35 35 A G T 3 S+ 0 0 57 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 0.434 120.4 100.3 79.7 4.7 4.5 11.8 -1.4 36 36 A E E < -D 33 0B 114 -3,-2.6 -3,-2.5 2,-0.0 2,-0.4 -0.821 61.5-137.7-114.9 155.9 4.5 15.2 0.4 37 37 A I E -D 32 0B 23 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.962 20.3-176.3-117.3 135.7 6.0 18.5 -0.8 38 38 A Y E -D 31 0B 62 -7,-2.4 -7,-2.6 -2,-0.4 2,-0.4 -0.863 8.9-151.1-125.4 161.2 7.9 20.9 1.3 39 39 A A E +DE 30 89B 3 50,-0.5 50,-2.3 -2,-0.3 2,-0.3 -0.996 16.8 164.7-137.0 139.4 9.4 24.2 0.7 40 40 A T E -DE 29 88B 0 -11,-2.2 -11,-2.8 -2,-0.4 48,-0.2 -0.893 49.6 -78.7-132.1 170.3 12.4 26.2 2.1 41 41 A D E -D 28 0B 48 46,-2.2 -13,-0.3 -2,-0.3 10,-0.1 -0.391 40.7-133.7 -56.3 147.7 14.4 29.2 1.2 42 42 A N S S+ 0 0 3 -15,-2.2 9,-3.0 -21,-0.1 2,-0.4 0.634 80.5 85.0 -89.0 -10.3 16.9 28.1 -1.6 43 43 A L B S-F 50 0C 108 -16,-0.4 7,-0.2 7,-0.2 5,-0.1 -0.753 82.2-120.5 -95.0 135.6 19.9 29.8 0.0 44 44 A C - 0 0 6 5,-2.5 3,-0.3 -2,-0.4 5,-0.2 -0.360 13.3-133.3 -64.9 151.6 21.9 28.0 2.7 45 45 A T S S+ 0 0 43 39,-0.2 -1,-0.1 1,-0.2 3,-0.1 0.639 102.9 51.2 -76.9 -16.7 22.1 29.7 6.1 46 46 A H S S- 0 0 86 1,-0.2 2,-0.3 3,-0.1 -1,-0.2 0.635 121.5 -25.0 -96.2 -18.7 25.8 29.1 6.3 47 47 A G S S- 0 0 31 -3,-0.3 2,-1.4 2,-0.2 -3,-0.2 -0.974 84.5 -53.8-175.1-178.9 27.0 30.5 2.9 48 48 A S S S+ 0 0 107 -2,-0.3 2,-0.3 -5,-0.1 -3,-0.1 -0.694 81.7 122.0 -81.8 94.5 26.3 31.4 -0.6 49 49 A A - 0 0 11 -2,-1.4 -5,-2.5 -5,-0.2 2,-0.6 -0.959 58.1-125.6-153.2 143.6 25.0 28.0 -1.8 50 50 A R B > -F 43 0C 117 -2,-0.3 3,-1.7 -7,-0.2 -7,-0.2 -0.845 8.4-150.8 -97.3 127.5 21.7 26.9 -3.4 51 51 A M G > S+ 0 0 0 -9,-3.0 3,-2.3 -2,-0.6 -1,-0.1 0.862 94.1 65.9 -59.1 -36.8 19.9 24.1 -1.7 52 52 A S G 3 S+ 0 0 23 1,-0.3 -1,-0.3 -10,-0.3 -32,-0.2 0.628 97.6 55.6 -67.9 -10.2 18.4 23.0 -5.0 53 53 A D G < S+ 0 0 110 -3,-1.7 -1,-0.3 -34,-0.1 -2,-0.2 0.372 99.3 84.7 -95.6 -0.9 21.9 22.0 -6.2 54 54 A G S < S- 0 0 23 -3,-2.3 2,-0.5 -4,-0.2 9,-0.2 0.242 88.1 -86.8 -81.5-156.0 22.4 19.8 -3.2 55 55 A Y E -G 62 0D 125 7,-2.0 7,-2.6 2,-0.1 2,-0.6 -0.963 27.6-154.6-131.3 116.8 21.4 16.3 -2.4 56 56 A L E +G 61 0D 21 -2,-0.5 2,-0.5 5,-0.2 5,-0.2 -0.809 15.7 175.8 -94.3 120.4 18.1 15.3 -1.0 57 57 A E E > -G 60 0D 113 3,-3.0 3,-1.7 -2,-0.6 2,-0.3 -0.923 65.3 -52.9-128.8 103.7 18.2 12.0 1.0 58 58 A G T 3 S- 0 0 55 -2,-0.5 -24,-0.0 1,-0.2 -26,-0.0 -0.511 121.9 -20.6 61.0-119.0 14.9 11.2 2.6 59 59 A R T 3 S+ 0 0 116 -2,-0.3 13,-2.9 -3,-0.1 2,-0.5 0.245 120.3 91.8-103.3 15.6 13.9 14.3 4.6 60 60 A E E < -GH 57 71D 63 -3,-1.7 -3,-3.0 11,-0.2 2,-0.5 -0.934 58.4-158.6-115.7 125.4 17.5 15.8 4.8 61 61 A I E -GH 56 70D 0 9,-2.6 9,-2.2 -2,-0.5 2,-0.5 -0.929 9.5-149.7-102.0 129.7 18.8 18.2 2.2 62 62 A E E -GH 55 69D 59 -7,-2.6 -7,-2.0 -2,-0.5 7,-0.2 -0.874 19.4-123.1 -97.7 123.8 22.6 18.4 2.0 63 63 A C > - 0 0 3 5,-2.7 4,-0.5 -2,-0.5 -12,-0.1 -0.328 19.4-121.3 -56.4 144.8 24.0 21.8 1.0 64 64 A P T 4 S+ 0 0 66 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.639 98.6 52.5 -66.7 -9.1 26.2 21.7 -2.2 65 65 A L T >4 S- 0 0 80 3,-0.1 3,-1.1 1,-0.1 2,-0.8 -0.752 115.7 -1.1-118.6 149.5 29.0 23.2 -0.0 66 66 A H T 34 S- 0 0 102 -2,-0.3 16,-0.1 1,-0.3 -1,-0.1 0.341 97.0 -91.4 60.9 1.4 30.4 22.0 3.3 67 67 A Q T 3< S+ 0 0 144 -2,-0.8 -1,-0.3 -4,-0.5 2,-0.1 0.607 71.9 155.8 68.7 11.4 28.3 19.0 4.1 68 68 A G < - 0 0 0 -3,-1.1 -5,-2.7 13,-0.1 2,-0.3 -0.443 23.4-161.9 -67.0 147.9 25.7 21.0 6.1 69 69 A R E -HI 62 79D 73 10,-0.5 9,-3.1 -7,-0.2 10,-0.8 -0.979 10.9-168.8-134.4 145.2 22.3 19.3 6.3 70 70 A F E -HI 61 77D 0 -9,-2.2 -9,-2.6 -2,-0.3 2,-0.5 -0.961 29.3-118.5-125.2 151.1 18.8 20.6 7.1 71 71 A D E > -H 60 0D 15 5,-2.3 4,-2.2 -2,-0.3 -11,-0.2 -0.751 24.1-149.8 -81.2 127.5 15.5 18.7 7.8 72 72 A V T 4 S+ 0 0 1 -13,-2.9 -33,-0.2 -2,-0.5 -1,-0.1 0.709 90.2 53.8 -78.6 -18.5 13.2 19.9 5.0 73 73 A C T 4 S+ 0 0 30 -14,-0.4 -1,-0.2 1,-0.1 -34,-0.1 0.899 128.2 15.4 -80.8 -41.1 10.0 19.6 7.0 74 74 A T T 4 S- 0 0 83 2,-0.1 14,-0.2 13,-0.0 -2,-0.2 0.590 92.9-127.8-104.1 -16.6 11.1 21.7 10.0 75 75 A G < + 0 0 0 -4,-2.2 11,-2.3 1,-0.2 -3,-0.1 0.458 50.6 159.7 72.3 5.8 14.1 23.5 8.6 76 76 A K - 0 0 125 9,-0.2 -5,-2.3 -6,-0.1 2,-0.4 -0.326 45.8-119.0 -64.8 138.1 16.3 22.4 11.6 77 77 A A E -I 70 0D 14 6,-0.2 -7,-0.2 -7,-0.2 8,-0.1 -0.628 30.3-171.7 -74.9 128.4 20.1 22.6 11.0 78 78 A L E + 0 0 57 -9,-3.1 2,-0.3 -2,-0.4 -8,-0.2 0.670 53.9 2.8-104.4 -20.9 21.3 19.0 11.4 79 79 A C E > S-I 69 0D 30 -10,-0.8 3,-1.6 3,-0.1 -10,-0.5 -0.987 87.7 -40.4-161.2 162.2 25.0 19.1 11.5 80 80 A A T 3 S+ 0 0 83 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 -0.281 109.5 30.8 -56.6 151.4 28.0 21.3 11.3 81 81 A P T 3 S+ 0 0 39 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 -0.975 107.3 77.0 -85.8 1.8 28.7 23.8 9.8 82 82 A V < + 0 0 8 -3,-1.6 -3,-0.1 1,-0.2 -13,-0.1 -0.661 41.7 154.7 -83.7 129.4 25.0 24.8 9.7 83 83 A T + 0 0 119 -2,-0.4 2,-0.5 1,-0.1 -6,-0.2 0.531 53.4 73.7-122.0 -22.1 23.7 26.3 13.0 84 84 A Q S S- 0 0 127 -8,-0.1 -39,-0.2 1,-0.0 -1,-0.1 -0.826 83.8-119.1-103.9 130.1 20.8 28.5 11.9 85 85 A N - 0 0 100 -2,-0.5 2,-0.3 -8,-0.1 -9,-0.2 -0.305 27.6-118.1 -63.4 146.0 17.6 26.8 10.8 86 86 A I - 0 0 7 -11,-2.3 2,-0.2 -15,-0.1 -1,-0.1 -0.635 33.0-102.0 -87.8 145.1 16.5 27.4 7.2 87 87 A K - 0 0 113 -2,-0.3 -46,-2.2 1,-0.0 2,-0.3 -0.480 36.3-156.6 -72.9 129.3 13.1 29.2 6.7 88 88 A T E -E 40 0B 51 -48,-0.2 -48,-0.3 -2,-0.2 -15,-0.1 -0.722 2.1-154.0-100.9 156.6 10.3 26.9 5.7 89 89 A Y E -E 39 0B 12 -50,-2.3 -50,-0.5 -2,-0.3 13,-0.1 -0.996 24.6-104.8-131.3 138.1 7.1 27.8 3.8 90 90 A P - 0 0 67 0, 0.0 11,-2.2 0, 0.0 2,-0.4 -0.243 38.2-164.2 -59.9 139.6 3.6 26.3 3.8 91 91 A V E +B 100 0A 35 9,-0.2 2,-0.3 -54,-0.2 9,-0.2 -0.980 12.7 170.9-123.0 141.2 2.8 24.3 0.7 92 92 A K E -B 99 0A 75 7,-2.1 7,-3.5 -2,-0.4 2,-0.5 -0.984 27.8-127.6-140.0 167.2 -0.5 23.0 -0.7 93 93 A I E -B 98 0A 84 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.927 19.5-175.1-113.1 127.3 -1.7 21.4 -3.8 94 94 A E E > -B 97 0A 89 3,-2.6 3,-2.6 -2,-0.5 2,-0.6 -0.959 63.5 -52.3-130.4 109.3 -4.6 22.9 -5.6 95 95 A N T 3 S- 0 0 139 -2,-0.5 -2,-0.1 1,-0.3 3,-0.0 -0.910 123.5 -17.3 83.8-113.0 -5.5 20.8 -8.5 96 96 A L T 3 S+ 0 0 79 -2,-0.6 -86,-2.5 2,-0.0 -1,-0.3 -0.083 119.5 83.3 120.8 -78.8 -2.9 20.3 -10.2 97 97 A R E < -AB 9 94A 82 -3,-2.6 -3,-2.6 -88,-0.2 2,-0.5 -0.701 67.2-125.2-110.5 151.1 -0.5 23.0 -9.0 98 98 A V E - B 0 93A 0 -90,-3.4 -91,-3.5 -2,-0.3 -90,-0.5 -0.817 31.5-164.3 -94.1 125.0 1.9 23.4 -6.1 99 99 A M E -AB 6 92A 18 -7,-3.5 -7,-2.1 -2,-0.5 2,-0.4 -0.889 3.4-159.5-110.6 148.1 1.1 26.5 -4.2 100 100 A I E -AB 5 91A 0 -95,-2.8 -95,-2.7 -2,-0.4 2,-0.8 -0.963 16.2-134.6-128.0 142.7 3.3 28.2 -1.7 101 101 A D E +A 4 0A 9 -11,-2.2 -97,-0.2 -2,-0.4 -2,-0.0 -0.833 22.5 176.8 -95.7 105.9 2.5 30.7 1.1 102 102 A L 0 0 20 -99,-1.2 -1,-0.2 -2,-0.8 -98,-0.1 0.504 360.0 360.0 -87.7 -4.7 5.0 33.5 0.9 103 103 A S 0 0 67 -100,-0.4 -100,-0.3 -3,-0.1 -1,-0.1 -0.872 360.0 360.0-102.8 360.0 3.4 35.5 3.7