==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 29-MAR-01 1IC0 . COMPND 2 MOLECULE: NITROSOCYANIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NITROSOMONAS EUROPAEA; . AUTHOR R.L.LIEBERMAN,D.M.ARCIERO,A.B.HOOPER,A.C.ROSENZWEIG . 664 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27876.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 506 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 83 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 224 33.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.9 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 . 6 0.9 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 . 145 21.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 . 6 0 0 1 11 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 . 6 1 2 0 12 0 5 1 2 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 12 0 5 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 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 H 0 0 214 0, 0.0 2,-0.2 0, 0.0 47,-0.1 0.000 360.0 360.0 360.0 -79.3 30.1 31.4 51.3 2 3 A N - 0 0 35 45,-0.1 2,-0.3 196,-0.1 47,-0.2 -0.746 360.0 -69.8-140.2-174.0 31.1 35.0 51.4 3 4 A F E -a 49 0A 28 45,-2.4 47,-3.0 -2,-0.2 2,-0.5 -0.626 33.4-157.2 -88.0 143.7 34.0 37.4 52.3 4 5 A N E -a 50 0A 97 196,-0.3 2,-0.5 -2,-0.3 47,-0.2 -0.962 12.4-177.8-123.2 112.5 35.1 38.0 55.9 5 6 A V E -a 51 0A 1 45,-2.3 47,-2.7 -2,-0.5 2,-0.5 -0.941 8.4-162.2-114.1 129.6 37.0 41.2 56.6 6 7 A V E -aB 52 35A 36 29,-3.4 29,-2.7 -2,-0.5 2,-0.6 -0.942 7.6-151.0-111.6 129.1 38.3 42.1 60.0 7 8 A I E +aB 53 34A 0 45,-2.6 47,-2.3 -2,-0.5 48,-0.4 -0.890 21.3 177.6-102.5 122.9 39.3 45.8 60.8 8 9 A N E - B 0 33A 36 25,-2.2 25,-3.1 -2,-0.6 2,-0.4 -0.950 20.7-142.8-127.6 146.9 42.0 46.2 63.4 9 10 A A E - B 0 32A 34 -2,-0.3 2,-0.5 45,-0.3 23,-0.3 -0.871 11.0-157.6-108.8 139.7 43.8 49.2 64.8 10 11 A Y E - B 0 31A 36 21,-3.8 21,-2.2 -2,-0.4 2,-0.7 -0.971 9.8-175.0-123.0 120.1 47.5 49.2 65.7 11 12 A D E + B 0 30A 58 -2,-0.5 2,-0.5 19,-0.2 19,-0.2 -0.909 22.1 178.1-110.4 96.4 49.0 51.6 68.2 12 13 A T E + B 0 29A 19 17,-2.4 17,-2.6 -2,-0.7 2,-0.4 -0.910 15.8 166.6-116.6 119.7 52.7 50.9 68.0 13 14 A T E - B 0 28A 28 529,-0.5 15,-0.2 -2,-0.5 -2,-0.0 -0.993 8.9-177.7-128.1 123.6 55.5 52.6 69.9 14 15 A I E - B 0 27A 40 13,-2.9 13,-2.5 -2,-0.4 3,-0.1 -0.981 20.9-132.2-126.6 122.8 59.0 51.1 70.0 15 16 A P - 0 0 16 0, 0.0 12,-0.1 0, 0.0 9,-0.0 -0.129 46.5 -72.3 -64.8 165.5 62.0 52.7 72.0 16 17 A E - 0 0 87 10,-0.1 339,-1.9 338,-0.1 2,-0.3 -0.314 59.1-167.3 -59.7 141.5 65.4 53.1 70.4 17 18 A L E -EF 24 354B 32 7,-2.5 7,-3.5 337,-0.2 2,-0.4 -0.859 23.4-148.5-129.5 163.6 67.2 49.8 69.9 18 19 A N E -EF 23 353B 42 335,-2.0 335,-0.9 -2,-0.3 2,-0.7 -0.930 19.6-176.6-132.6 105.7 70.7 48.6 69.1 19 20 A V E > S-E 22 0B 66 3,-3.3 3,-1.4 -2,-0.4 333,-0.1 -0.915 72.6 -21.1-110.9 111.0 70.6 45.3 67.2 20 21 A E T 3 S- 0 0 186 -2,-0.7 -1,-0.2 1,-0.3 3,-0.1 0.969 127.4 -50.1 57.7 56.7 74.1 43.9 66.4 21 22 A G T 3 S+ 0 0 60 -3,-0.2 2,-0.6 1,-0.2 -1,-0.3 0.214 117.0 119.1 70.4 -19.6 75.8 47.2 66.8 22 23 A V E < -E 19 0B 87 -3,-1.4 -3,-3.3 -4,-0.0 2,-0.3 -0.704 59.0-142.4 -84.4 119.1 73.3 48.7 64.5 23 24 A T E -E 18 0B 69 -2,-0.6 2,-0.5 -5,-0.3 -5,-0.3 -0.613 10.6-161.6 -82.7 136.2 71.2 51.4 66.1 24 25 A V E -E 17 0B 18 -7,-3.5 -7,-2.5 -2,-0.3 3,-0.1 -0.967 19.9-127.8-120.9 113.1 67.5 51.7 65.2 25 26 A K - 0 0 101 -2,-0.5 -11,-0.0 -9,-0.2 -7,-0.0 -0.154 43.5 -79.7 -55.8 152.0 65.8 55.0 66.0 26 27 A N - 0 0 94 1,-0.1 2,-0.4 -10,-0.1 -1,-0.1 -0.190 50.9-141.2 -55.1 144.7 62.6 54.9 68.0 27 28 A I E -B 14 0A 10 -13,-2.5 -13,-2.9 -12,-0.1 2,-0.3 -0.879 21.0-179.5-114.7 143.9 59.6 54.0 66.0 28 29 A R E +B 13 0A 39 111,-0.4 2,-0.4 -2,-0.4 223,-0.3 -0.880 12.6 161.2-144.7 107.1 56.0 55.3 66.2 29 30 A A E -B 12 0A 19 -17,-2.6 -17,-2.4 -2,-0.3 2,-0.5 -0.985 12.6-178.2-134.4 125.0 53.3 53.9 63.8 30 31 A F E +B 11 0A 21 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.2 -0.978 22.5 151.2-122.3 116.7 49.6 54.2 64.3 31 32 A N E -B 10 0A 21 -21,-2.2 -21,-3.8 -2,-0.5 2,-0.4 -0.936 37.8-143.3-142.3 165.2 47.4 52.5 61.6 32 33 A V E -Bc 9 102A 2 69,-2.1 71,-1.0 -2,-0.3 2,-0.4 -0.997 28.2-166.0-127.4 129.6 44.0 50.8 61.0 33 34 A L E -B 8 0A 5 -25,-3.1 -25,-2.2 -2,-0.4 2,-0.5 -0.944 21.5-136.8-126.2 145.8 44.0 47.9 58.6 34 35 A N E -B 7 0A 9 69,-0.4 -27,-0.2 -2,-0.4 4,-0.1 -0.843 31.8-133.4 -93.3 126.7 41.4 45.9 56.7 35 36 A E E S+B 6 0A 18 -29,-2.7 -29,-3.4 -2,-0.5 2,-0.1 -0.923 97.6 27.3-130.5 109.2 42.3 42.2 56.9 36 37 A P S S- 0 0 8 0, 0.0 -1,-0.3 0, 0.0 181,-0.1 0.489 81.4-173.0 -74.5 161.9 42.1 41.0 54.2 37 38 A E + 0 0 22 179,-0.3 69,-2.0 -2,-0.1 2,-0.4 0.751 64.8 56.0 -91.2 -30.9 42.8 44.2 52.2 38 39 A T E -k 106 0C 0 67,-0.2 2,-0.4 178,-0.1 69,-0.2 -0.897 57.5-171.9-113.9 138.0 42.0 42.8 48.7 39 40 A L E -k 107 0C 3 67,-2.9 69,-3.4 -2,-0.4 2,-0.6 -0.986 5.5-164.4-127.9 120.0 38.9 41.2 47.4 40 41 A V E +k 108 0C 12 -2,-0.4 2,-0.3 67,-0.2 69,-0.2 -0.913 19.3 165.4-110.2 114.1 38.8 39.6 43.9 41 42 A V E -k 109 0C 7 67,-3.2 69,-3.3 -2,-0.6 2,-0.2 -0.925 36.6-109.4-128.5 152.9 35.3 38.9 42.5 42 43 A K > - 0 0 86 -2,-0.3 3,-1.3 67,-0.3 42,-0.2 -0.508 47.2 -93.9 -77.9 145.4 33.9 38.0 39.0 43 44 A K T 3 S+ 0 0 125 1,-0.3 42,-0.2 -2,-0.2 -1,-0.1 -0.367 112.7 29.5 -61.0 130.3 31.7 40.7 37.3 44 45 A G T 3 S+ 0 0 52 40,-4.3 -1,-0.3 1,-0.3 2,-0.2 0.565 87.4 145.5 95.1 10.8 28.1 40.2 38.0 45 46 A D E < - D 0 84A 59 -3,-1.3 39,-2.1 39,-0.5 2,-1.3 -0.564 54.4-132.2 -83.9 145.9 28.6 38.7 41.4 46 47 A A E - D 0 83A 77 37,-0.2 37,-0.2 -2,-0.2 -1,-0.1 -0.610 37.7-153.2 -95.3 71.3 26.3 39.3 44.3 47 48 A V E - D 0 82A 7 -2,-1.3 35,-1.8 35,-0.5 2,-0.5 -0.162 14.9-166.9 -54.3 130.6 29.1 40.2 46.7 48 49 A K E - D 0 81A 76 33,-0.2 -45,-2.4 -47,-0.1 2,-0.5 -0.985 5.2-174.8-120.5 122.7 28.6 39.6 50.5 49 50 A V E -aD 3 80A 0 31,-3.1 31,-3.8 -2,-0.5 2,-0.9 -0.932 11.3-161.2-126.4 110.6 31.1 41.1 52.8 50 51 A V E -aD 4 79A 28 -47,-3.0 -45,-2.3 -2,-0.5 2,-0.7 -0.786 15.6-165.8 -89.7 106.3 30.9 40.4 56.5 51 52 A V E -aD 5 78A 0 27,-3.7 27,-2.7 -2,-0.9 2,-0.6 -0.853 7.1-167.2-102.7 114.7 32.9 43.2 58.2 52 53 A E E -aD 6 77A 75 -47,-2.7 -45,-2.6 -2,-0.7 2,-1.0 -0.873 12.4-148.4 -99.6 118.0 33.9 42.7 61.8 53 54 A N E +a 7 0A 0 23,-2.7 22,-2.1 -2,-0.6 -45,-0.1 -0.751 26.9 166.5 -93.4 102.1 35.2 45.9 63.4 54 55 A K + 0 0 98 -47,-2.3 -45,-0.3 -2,-1.0 -46,-0.2 0.380 46.2 111.4 -90.5 1.4 37.8 45.1 66.1 55 56 A S S S- 0 0 2 -48,-0.4 20,-0.5 2,-0.2 4,-0.1 -0.469 75.0-130.1 -72.9 148.7 38.9 48.8 66.1 56 57 A P S S+ 0 0 73 0, 0.0 2,-0.3 0, 0.0 18,-0.2 0.484 90.5 50.3 -80.0 0.3 38.0 50.6 69.3 57 58 A I S S- 0 0 10 16,-0.1 18,-0.2 187,-0.1 -2,-0.2 -0.851 104.3 -74.8-130.6 167.5 36.4 53.4 67.2 58 59 A S - 0 0 20 -2,-0.3 2,-0.4 16,-0.1 15,-0.2 -0.356 49.7-157.7 -61.6 139.7 33.9 53.6 64.4 59 60 A E E -M 72 0D 0 13,-2.8 13,-3.2 -4,-0.1 2,-0.3 -0.956 5.3-138.4-125.8 142.9 35.3 52.5 61.1 60 61 A G E -M 71 0D 0 -2,-0.4 2,-0.4 11,-0.2 11,-0.2 -0.690 11.1-169.7 -99.8 152.2 34.3 53.3 57.5 61 62 A F E +M 70 0D 2 9,-2.1 9,-2.5 -2,-0.3 2,-0.3 -0.931 19.7 165.2-141.0 111.4 34.1 50.9 54.5 62 63 A S E +MN 69 93D 0 31,-2.2 31,-2.2 -2,-0.4 2,-0.3 -0.971 26.2 174.9-136.2 149.8 33.5 52.4 51.1 63 64 A I E > > -M 68 0D 0 5,-2.3 3,-1.7 -2,-0.3 5,-1.4 -0.805 17.0-162.5-148.5 96.2 33.7 51.5 47.4 64 65 A D G > 5S+ 0 0 112 27,-0.3 3,-2.5 -2,-0.3 -1,-0.1 0.899 82.0 66.4 -49.3 -54.3 32.3 54.4 45.3 65 66 A A G 3 5S+ 0 0 29 1,-0.3 -1,-0.3 26,-0.1 25,-0.0 0.620 112.9 33.8 -47.1 -17.0 31.8 52.5 42.0 66 67 A F G < 5S- 0 0 24 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.079 111.3-107.6-131.3 26.8 29.0 50.4 43.8 67 68 A G T < 5 + 0 0 69 -3,-2.5 2,-0.3 1,-0.2 -3,-0.2 0.506 65.7 154.5 62.5 3.4 27.4 52.9 46.2 68 69 A V E < +M 63 0D 6 -5,-1.4 -5,-2.3 12,-0.0 -1,-0.2 -0.488 2.7 140.7 -68.4 123.5 29.1 51.0 49.1 69 70 A Q E +M 62 0D 115 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.551 17.2 158.4-166.8 94.7 29.5 53.3 52.1 70 71 A E E -M 61 0D 55 -9,-2.5 -9,-2.1 -2,-0.1 2,-0.5 -0.841 31.4-143.5-123.3 157.9 28.9 52.1 55.6 71 72 A V E -M 60 0D 71 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.2 -0.988 17.1-162.6-120.5 120.2 30.0 53.0 59.2 72 73 A I E -M 59 0D 1 -13,-3.2 -13,-2.8 -2,-0.5 3,-0.1 -0.929 16.0-132.1-109.6 121.5 30.6 50.1 61.5 73 74 A K > - 0 0 122 -2,-0.6 3,-2.3 -15,-0.2 -20,-0.2 -0.244 42.1 -75.6 -67.5 156.8 30.7 50.9 65.2 74 75 A A T 3 S+ 0 0 47 1,-0.3 -1,-0.2 -18,-0.2 -20,-0.1 -0.320 119.0 7.2 -56.3 122.3 33.5 49.6 67.5 75 76 A G T 3 S+ 0 0 62 -22,-2.1 -1,-0.3 -20,-0.5 2,-0.2 0.460 103.3 120.4 85.2 1.2 33.0 45.9 68.1 76 77 A E < - 0 0 90 -3,-2.3 -23,-2.7 -23,-0.1 2,-0.5 -0.629 53.9-140.2-100.3 159.9 30.1 45.5 65.7 77 78 A T E -D 52 0A 78 -25,-0.2 2,-0.4 -2,-0.2 -25,-0.2 -0.977 19.6-175.9-120.7 123.5 29.8 43.2 62.6 78 79 A K E -D 51 0A 70 -27,-2.7 -27,-3.7 -2,-0.5 2,-0.6 -0.949 18.2-141.6-122.5 138.1 28.1 44.5 59.5 79 80 A T E -D 50 0A 71 -2,-0.4 2,-0.5 -29,-0.3 -29,-0.3 -0.883 15.6-155.4-101.3 121.6 27.4 42.6 56.3 80 81 A I E -D 49 0A 5 -31,-3.8 -31,-3.1 -2,-0.6 2,-0.4 -0.831 11.5-171.5 -97.6 130.3 27.8 44.6 53.1 81 82 A S E +D 48 0A 76 -2,-0.5 2,-0.3 -33,-0.2 -33,-0.2 -0.982 21.3 128.3-129.4 127.6 25.9 43.5 50.0 82 83 A F E -D 47 0A 25 -35,-1.8 -35,-0.5 -2,-0.4 2,-0.5 -0.950 48.8-108.8-160.3 171.4 26.2 44.8 46.5 83 84 A T E -D 46 0A 71 -2,-0.3 2,-1.9 -37,-0.2 -37,-0.2 -0.956 19.9-134.5-117.2 128.7 26.6 43.5 43.0 84 85 A A E +D 45 0A 0 -39,-2.1 -40,-4.3 -2,-0.5 -39,-0.5 -0.578 38.8 160.9 -80.1 81.6 29.9 43.9 41.0 85 86 A D + 0 0 91 -2,-1.9 2,-0.4 -42,-0.2 -1,-0.2 0.502 57.6 59.3 -81.3 -5.6 28.3 45.0 37.8 86 87 A K S S- 0 0 96 -3,-0.1 2,-0.2 2,-0.0 -42,-0.1 -0.983 76.0-134.0-129.7 138.3 31.5 46.6 36.5 87 88 A A + 0 0 49 -2,-0.4 2,-0.3 -44,-0.1 23,-0.2 -0.566 59.2 67.4 -85.7 150.5 34.9 45.1 35.8 88 89 A G E S-L 109 0C 16 21,-1.9 21,-2.9 -2,-0.2 2,-0.5 -0.965 83.8 -55.2 143.3-160.1 38.1 46.8 37.0 89 90 A A E -L 108 0C 12 -2,-0.3 2,-0.4 19,-0.2 138,-0.3 -0.986 48.1-176.2-126.6 118.7 40.0 47.8 40.2 90 91 A F E -L 107 0C 41 17,-3.1 17,-3.7 -2,-0.5 2,-0.2 -0.963 26.0-115.6-123.6 133.9 38.2 49.9 42.8 91 92 A T E -L 106 0C 27 -2,-0.4 2,-0.7 15,-0.2 -27,-0.3 -0.385 15.4-150.5 -67.6 130.7 39.6 51.3 46.1 92 93 A I E +L 105 0C 3 13,-1.6 13,-3.0 -55,-0.2 2,-0.3 -0.913 36.9 163.6 -98.4 115.7 38.2 50.1 49.4 93 94 A W B -N 62 0D 53 -31,-2.2 -31,-2.2 -2,-0.7 2,-0.5 -0.920 41.8-120.2-138.6 164.5 38.6 53.0 51.7 94 95 A C - 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