==== 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 1IBY . COMPND 2 MOLECULE: NITROSOCYANIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NITROSOMONAS EUROPAEA; . AUTHOR R.L.LIEBERMAN,D.M.ARCIERO,A.B.HOOPER,A.C.ROSENZWEIG . 448 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20687.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 148 33.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 4 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 . 104 23.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 . 4 0 0 0 8 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 . 4 0 0 0 8 0 4 0 0 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 . 0 8 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 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 E 0 0 220 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-159.9 -20.1 66.3 133.2 2 2 A H + 0 0 109 1,-0.3 47,-0.4 199,-0.1 0, 0.0 -0.015 360.0 128.6 93.1 -20.0 -21.8 68.1 130.3 3 3 A N - 0 0 57 45,-0.1 -1,-0.3 1,-0.1 47,-0.2 -0.218 53.0-133.1 -66.1 152.3 -19.4 71.0 130.0 4 4 A F E -a 50 0A 21 45,-3.1 47,-2.9 -3,-0.1 2,-0.5 -0.610 13.4-136.1 -97.0 164.6 -17.8 72.0 126.7 5 5 A N E +a 51 0A 84 198,-0.3 2,-0.5 -2,-0.2 47,-0.2 -0.954 23.5 178.1-127.6 109.0 -14.1 72.7 126.6 6 6 A V E -a 52 0A 1 45,-2.4 47,-2.5 -2,-0.5 2,-0.5 -0.962 9.5-163.3-114.8 123.1 -13.1 75.7 124.5 7 7 A V E -aB 53 36A 31 29,-2.8 29,-2.6 -2,-0.5 2,-0.7 -0.911 9.3-148.1-106.2 128.5 -9.5 76.6 124.4 8 8 A I E -aB 54 35A 0 45,-3.0 47,-2.9 -2,-0.5 48,-0.5 -0.870 23.4-178.1 -98.4 115.4 -8.5 80.1 123.2 9 9 A N E - B 0 34A 33 25,-2.6 25,-3.1 -2,-0.7 2,-0.3 -0.916 18.6-143.3-117.8 143.4 -5.2 80.0 121.4 10 10 A A E - B 0 33A 33 -2,-0.4 2,-0.4 23,-0.2 23,-0.3 -0.794 12.9-164.1-101.9 145.1 -3.2 82.8 119.9 11 11 A Y E - B 0 32A 34 21,-3.3 21,-2.5 -2,-0.3 2,-0.7 -0.981 10.6-175.2-134.0 120.1 -1.2 82.3 116.7 12 12 A D E + B 0 31A 89 -2,-0.4 2,-0.5 19,-0.2 19,-0.2 -0.884 20.6 178.4-116.0 95.6 1.5 84.6 115.5 13 13 A T E + B 0 30A 15 17,-2.8 17,-2.8 -2,-0.7 2,-0.4 -0.890 14.1 164.7-110.8 122.2 2.4 83.2 112.1 14 14 A T E + B 0 29A 83 -2,-0.5 15,-0.2 15,-0.2 -2,-0.0 -0.952 0.9 167.1-135.9 112.7 5.0 84.7 109.7 15 15 A I E - B 0 28A 44 13,-3.3 13,-2.8 -2,-0.4 3,-0.3 -0.824 10.4-175.5-128.6 90.7 6.4 82.7 106.8 16 16 A P E S+ 0 0 87 0, 0.0 11,-3.3 0, 0.0 2,-0.3 0.877 81.7 10.6 -51.5 -43.2 8.3 85.0 104.4 17 17 A E E - B 0 26A 143 9,-0.3 2,-0.5 10,-0.1 9,-0.2 -0.874 69.6-161.9-147.3 110.7 8.8 82.1 102.0 18 18 A L E + B 0 25A 31 7,-4.1 7,-1.9 -2,-0.3 2,-0.3 -0.782 15.0 169.8 -92.4 129.5 7.1 78.7 102.2 19 19 A N E + B 0 24A 103 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.767 17.9 137.8-143.1 92.6 8.7 75.9 100.3 20 20 A V E > + B 0 23A 59 3,-2.3 3,-2.3 -2,-0.3 -2,-0.0 -0.999 66.9 0.6-141.0 142.3 7.4 72.4 101.0 21 21 A E T 3 S- 0 0 115 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.855 130.0 -55.5 51.4 40.0 6.5 69.4 98.8 22 22 A G T 3 S+ 0 0 79 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.563 115.0 118.1 73.2 7.7 7.6 71.3 95.7 23 23 A V E < -B 20 0A 34 -3,-2.3 -3,-2.3 2,-0.0 2,-0.5 -0.908 45.3-164.2-112.2 135.5 5.2 74.2 96.5 24 24 A T E +B 19 0A 90 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.969 9.7 175.5-123.5 126.4 6.2 77.7 97.2 25 25 A V E -B 18 0A 6 -7,-1.9 -7,-4.1 -2,-0.5 2,-0.3 -0.983 18.1-148.8-125.5 137.1 4.1 80.4 98.9 26 26 A K E +B 17 0A 131 -2,-0.4 -9,-0.3 -9,-0.2 -11,-0.0 -0.782 60.4 7.7-114.1 155.1 5.5 83.9 99.7 27 27 A N E + 0 0 89 -11,-3.3 2,-0.5 -2,-0.3 -1,-0.2 0.885 68.5 176.0 49.9 53.9 4.9 86.6 102.3 28 28 A I E +B 15 0A 4 -13,-2.8 -13,-3.3 -3,-0.2 2,-0.3 -0.761 6.8 159.4 -88.4 127.9 2.5 84.6 104.6 29 29 A R E +B 14 0A 44 -2,-0.5 2,-0.4 113,-0.3 -15,-0.2 -0.877 1.6 156.2-152.7 116.1 1.6 86.6 107.7 30 30 A A E -B 13 0A 18 -17,-2.8 -17,-2.8 -2,-0.3 2,-0.5 -0.987 17.5-171.0-145.2 130.6 -1.4 86.0 109.9 31 31 A F E +B 12 0A 31 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.2 -0.987 27.3 152.4-121.5 119.6 -2.0 86.8 113.5 32 32 A N E -B 11 0A 16 -21,-2.5 -21,-3.3 -2,-0.5 2,-0.4 -0.972 39.1-144.1-146.9 160.9 -5.1 85.3 115.0 33 33 A V E -Bc 10 103A 4 69,-2.2 71,-1.4 -2,-0.3 2,-0.4 -0.990 28.7-165.3-122.7 131.6 -6.7 84.1 118.2 34 34 A L E -B 9 0A 0 -25,-3.1 -25,-2.6 -2,-0.4 2,-0.5 -0.939 21.0-137.1-124.6 146.6 -9.0 81.1 117.8 35 35 A N E -B 8 0A 3 69,-0.4 -27,-0.2 -2,-0.4 4,-0.1 -0.876 33.2-130.1 -95.8 126.2 -11.6 79.4 119.9 36 36 A E E S+B 7 0A 16 -29,-2.6 -29,-2.8 -2,-0.5 2,-0.1 -0.927 99.0 22.1-127.2 108.5 -11.1 75.7 119.7 37 37 A P S S- 0 0 5 0, 0.0 -1,-0.3 0, 0.0 183,-0.1 0.538 81.0-171.7 -78.5 158.3 -13.7 74.5 119.1 38 38 A E + 0 0 8 181,-0.2 69,-1.8 -2,-0.1 2,-0.5 0.760 67.2 62.8 -84.1 -28.6 -15.4 77.5 117.6 39 39 A T E -e 107 0B 2 67,-0.2 2,-0.4 -4,-0.1 69,-0.2 -0.870 56.7-176.8-110.3 133.1 -18.8 75.9 117.3 40 40 A L E -e 108 0B 0 67,-2.9 69,-3.7 -2,-0.5 2,-0.5 -0.989 7.7-165.1-123.6 128.6 -21.0 74.7 120.2 41 41 A V E +e 109 0B 8 -2,-0.4 2,-0.3 67,-0.2 69,-0.2 -0.970 18.5 156.8-120.1 126.3 -24.3 73.0 119.4 42 42 A V E -e 110 0B 6 67,-3.3 69,-2.8 -2,-0.5 2,-0.3 -0.841 39.4-103.0-137.2 172.5 -26.9 72.5 122.1 43 43 A K E > -e 111 0B 44 -2,-0.3 3,-2.5 67,-0.2 42,-0.2 -0.769 47.4 -91.8-100.1 147.4 -30.7 72.0 122.5 44 44 A K T 3 S+ 0 0 100 67,-2.9 42,-0.2 -2,-0.3 3,-0.1 -0.296 116.6 25.5 -55.6 135.4 -33.0 74.7 123.5 45 45 A G T 3 S+ 0 0 50 40,-3.4 -1,-0.3 1,-0.3 41,-0.2 0.234 90.4 139.7 92.7 -14.6 -33.5 74.6 127.3 46 46 A D < - 0 0 63 -3,-2.5 39,-2.3 39,-0.5 2,-0.6 -0.330 57.7-124.4 -64.1 142.2 -30.1 73.0 127.7 47 47 A A E - D 0 84A 64 37,-0.2 2,-0.5 -3,-0.1 37,-0.2 -0.803 33.4-151.1 -85.7 121.3 -28.0 74.1 130.7 48 48 A V E + D 0 83A 3 35,-3.5 35,-2.1 -2,-0.6 2,-0.4 -0.840 19.8 179.6-103.7 134.5 -24.8 75.1 129.0 49 49 A K E - D 0 82A 86 -2,-0.5 -45,-3.1 -47,-0.4 2,-0.5 -0.983 3.9-174.5-131.8 118.3 -21.4 75.0 130.7 50 50 A V E -aD 4 81A 0 31,-3.4 31,-3.3 -2,-0.4 2,-0.9 -0.957 14.2-154.9-118.7 116.4 -18.3 76.1 128.9 51 51 A V E -aD 5 80A 24 -47,-2.9 -45,-2.4 -2,-0.5 2,-0.7 -0.812 19.2-163.0 -88.6 108.8 -14.9 75.6 130.4 52 52 A V E -aD 6 79A 0 27,-2.9 27,-2.6 -2,-0.9 2,-0.7 -0.866 7.1-166.9-101.0 113.8 -12.9 78.3 128.7 53 53 A E E -aD 7 78A 57 -47,-2.5 -45,-3.0 -2,-0.7 2,-0.9 -0.887 10.8-150.2-101.8 114.8 -9.2 77.9 128.9 54 54 A N E +a 8 0A 1 23,-3.0 22,-1.0 -2,-0.7 -45,-0.1 -0.762 26.5 165.5 -89.8 108.0 -7.3 81.0 127.8 55 55 A K + 0 0 125 -47,-2.9 -45,-0.2 -2,-0.9 -46,-0.2 0.384 43.6 112.7 -98.3 -0.8 -4.0 80.0 126.3 56 56 A S S S- 0 0 4 -48,-0.5 20,-0.9 2,-0.2 4,-0.1 -0.431 78.5-122.9 -69.0 148.4 -3.6 83.5 124.8 57 57 A P S S+ 0 0 72 0, 0.0 2,-0.3 0, 0.0 18,-0.1 0.516 93.4 41.2 -72.0 -2.8 -0.7 85.5 126.3 58 58 A I S S- 0 0 20 16,-0.1 18,-0.2 1,-0.1 -2,-0.2 -0.847 106.5 -65.2-136.3 173.0 -3.3 88.3 127.1 59 59 A S - 0 0 25 -2,-0.3 2,-0.3 16,-0.1 15,-0.2 -0.302 53.4-158.8 -59.5 140.9 -6.8 88.6 128.4 60 60 A E E -G 73 0C 0 13,-2.6 13,-3.5 -4,-0.1 2,-0.3 -0.932 7.1-131.4-126.6 150.1 -9.4 87.2 126.0 61 61 A G E -G 72 0C 0 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.710 14.7-174.9-103.3 152.6 -13.1 87.7 125.5 62 62 A F E +G 71 0C 0 9,-2.4 9,-2.9 -2,-0.3 2,-0.4 -0.897 20.0 167.6-143.8 106.1 -15.9 85.2 125.2 63 63 A S E +GH 70 94C 0 31,-2.7 31,-2.4 -2,-0.3 2,-0.3 -0.956 24.0 175.6-129.2 145.2 -19.3 86.8 124.5 64 64 A I E > > -G 69 0C 0 5,-2.7 5,-2.2 -2,-0.4 3,-1.5 -0.796 15.2-165.2-145.3 92.3 -22.7 85.5 123.4 65 65 A D G > 5S+ 0 0 111 27,-0.4 3,-2.4 -2,-0.3 -1,-0.1 0.864 80.2 64.9 -47.3 -51.2 -25.1 88.4 123.4 66 66 A A G 3 5S+ 0 0 24 1,-0.3 -1,-0.3 26,-0.2 25,-0.0 0.736 112.8 34.6 -49.6 -28.4 -28.3 86.4 123.2 67 67 A F G < 5S- 0 0 26 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.074 114.7-106.7-119.1 26.1 -27.7 85.0 126.6 68 68 A G T < 5 + 0 0 71 -3,-2.4 2,-0.6 1,-0.2 -3,-0.2 0.769 66.0 153.3 58.0 28.8 -26.0 87.9 128.3 69 69 A V E < +G 64 0C 7 -5,-2.2 -5,-2.7 12,-0.0 -1,-0.2 -0.814 2.6 147.9 -93.3 119.3 -22.6 86.2 128.2 70 70 A Q E +G 63 0C 137 -2,-0.6 2,-0.3 -7,-0.3 -7,-0.2 -0.676 20.3 162.0-150.9 88.5 -19.7 88.7 128.1 71 71 A E E -G 62 0C 60 -9,-2.9 -9,-2.4 -2,-0.2 2,-0.5 -0.794 30.3-152.9-115.3 155.6 -16.7 87.4 129.9 72 72 A V E -G 61 0C 55 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.2 -0.995 14.2-157.3-124.7 120.1 -13.0 88.2 129.9 73 73 A I E -G 60 0C 2 -13,-3.5 -13,-2.6 -2,-0.5 3,-0.1 -0.892 21.0-123.2-102.1 122.9 -10.7 85.3 130.7 74 74 A K > - 0 0 122 -2,-0.6 3,-2.3 -15,-0.2 -20,-0.3 -0.237 43.3 -80.9 -61.1 151.2 -7.3 86.4 132.1 75 75 A A T 3 S+ 0 0 30 1,-0.3 -1,-0.1 -18,-0.1 -20,-0.1 -0.245 115.9 6.3 -53.7 136.3 -4.2 85.2 130.2 76 76 A G T 3 S+ 0 0 65 -22,-1.0 -1,-0.3 -20,-0.9 2,-0.2 0.561 109.9 114.4 66.5 8.2 -3.4 81.6 131.1 77 77 A E < - 0 0 100 -3,-2.3 -23,-3.0 -23,-0.1 2,-0.4 -0.641 59.0-132.4-110.1 168.6 -6.5 81.2 133.2 78 78 A T E -D 53 0A 79 -25,-0.2 2,-0.4 -2,-0.2 -25,-0.2 -0.956 18.1-175.6-121.1 137.0 -9.7 79.1 133.0 79 79 A K E -D 52 0A 79 -27,-2.6 -27,-2.9 -2,-0.4 2,-0.6 -0.997 18.1-142.2-134.9 129.5 -13.2 80.4 133.4 80 80 A T E -D 51 0A 82 -2,-0.4 2,-0.5 -29,-0.2 -29,-0.2 -0.820 17.3-161.7 -93.6 121.5 -16.3 78.3 133.5 81 81 A I E -D 50 0A 6 -31,-3.3 -31,-3.4 -2,-0.6 2,-0.4 -0.905 10.6-177.8-106.8 124.1 -19.2 80.0 131.7 82 82 A S E +D 49 0A 90 -2,-0.5 2,-0.3 -33,-0.2 -33,-0.2 -0.967 14.6 137.4-126.7 140.0 -22.7 78.8 132.4 83 83 A F E -D 48 0A 24 -35,-2.1 -35,-3.5 -2,-0.4 2,-0.6 -0.964 48.9-102.7-165.9 165.3 -26.1 79.8 131.1 84 84 A T E -D 47 0A 79 -2,-0.3 2,-2.4 -37,-0.2 -37,-0.2 -0.894 22.5-138.3-104.2 123.5 -29.3 78.3 129.8 85 85 A A + 0 0 0 -39,-2.3 -40,-3.4 -2,-0.6 -39,-0.5 -0.519 41.6 158.1 -78.1 75.7 -29.8 78.3 126.0 86 86 A D + 0 0 94 -2,-2.4 2,-0.4 -42,-0.2 -1,-0.2 0.331 54.1 64.0 -84.5 6.2 -33.5 79.3 126.4 87 87 A K S S- 0 0 90 -3,-0.1 2,-0.1 2,-0.0 23,-0.1 -0.994 77.4-134.1-135.4 128.6 -33.6 80.6 122.8 88 88 A A + 0 0 41 -2,-0.4 2,-0.3 -44,-0.1 23,-0.2 -0.471 59.0 70.1 -77.6 150.2 -33.3 78.6 119.6 89 89 A G E S-F 110 0B 13 21,-2.6 21,-3.0 -2,-0.1 2,-0.5 -0.944 83.1 -60.0 143.8-165.9 -31.1 80.0 116.8 90 90 A A E -F 109 0B 8 -2,-0.3 2,-0.4 19,-0.2 141,-0.3 -0.990 48.4-173.0-122.4 121.9 -27.5 80.6 115.8 91 91 A F E -F 108 0B 37 17,-3.1 17,-3.4 -2,-0.5 2,-0.2 -0.960 24.7-116.8-124.6 133.8 -25.6 83.0 118.0 92 92 A T E -F 107 0B 25 -2,-0.4 2,-0.7 15,-0.2 -27,-0.4 -0.419 16.4-152.9 -68.6 131.5 -22.1 84.5 117.5 93 93 A I E +F 106 0B 2 13,-2.1 13,-3.3 -2,-0.2 2,-0.3 -0.937 36.9 163.0-101.2 115.8 -19.5 83.5 120.0 94 94 A W B -H 63 0C 56 -31,-2.4 -31,-2.7 -2,-0.7 2,-0.6 -0.909 45.5-116.3-139.1 165.5 -17.1 86.4 119.9 95 95 A C - 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