==== 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 1IBZ . COMPND 2 MOLECULE: NITROSOCYANIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NITROSOMONAS EUROPAEA; . AUTHOR R.L.LIEBERMAN,D.M.ARCIERO,A.B.HOOPER,A.C.ROSENZWEIG . 445 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20759.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 332 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 148 33.3 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 . 94 21.1 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 2 A H 0 0 185 0, 0.0 46,-0.1 0, 0.0 48,-0.1 0.000 360.0 360.0 360.0 95.0 -22.8 70.2 131.3 2 3 A N - 0 0 62 46,-0.1 47,-0.3 199,-0.0 2,-0.2 0.888 360.0-156.8 65.2 101.8 -19.6 72.1 131.5 3 4 A F E -a 49 0A 20 45,-2.6 47,-2.5 198,-0.1 2,-0.5 -0.571 12.8-131.1 -96.3 168.0 -17.9 72.9 128.2 4 5 A N E +a 50 0A 86 198,-0.3 2,-0.5 -2,-0.2 47,-0.2 -0.937 26.5 177.9-128.2 107.8 -14.2 73.6 128.0 5 6 A V E -a 51 0A 2 45,-2.1 47,-2.5 -2,-0.5 2,-0.5 -0.953 8.9-164.6-114.5 124.3 -13.2 76.7 126.1 6 7 A V E -aB 52 35A 31 29,-2.7 29,-2.3 -2,-0.5 2,-0.7 -0.930 8.5-150.2-110.9 124.5 -9.6 77.6 125.8 7 8 A I E -aB 53 34A 0 45,-2.7 47,-2.3 -2,-0.5 2,-0.4 -0.834 21.9-177.8 -94.8 116.0 -8.6 81.1 124.7 8 9 A N E - B 0 33A 38 25,-2.7 25,-3.0 -2,-0.7 2,-0.4 -0.935 18.9-143.4-120.5 141.8 -5.2 81.1 122.9 9 10 A A E - B 0 32A 32 -2,-0.4 2,-0.4 45,-0.3 23,-0.2 -0.783 13.9-163.8 -98.9 142.1 -3.2 84.0 121.4 10 11 A Y E - B 0 31A 37 21,-3.1 21,-2.1 -2,-0.4 2,-0.8 -0.966 12.1-175.6-132.7 117.1 -1.2 83.5 118.2 11 12 A D E + B 0 30A 88 -2,-0.4 2,-0.5 19,-0.2 19,-0.2 -0.849 21.8 178.6-111.0 91.6 1.5 85.8 117.1 12 13 A T E + B 0 29A 15 17,-2.6 17,-2.6 -2,-0.8 2,-0.4 -0.855 13.7 166.6-105.8 123.8 2.5 84.3 113.7 13 14 A T E + B 0 28A 84 -2,-0.5 15,-0.2 15,-0.2 -2,-0.0 -0.935 0.8 169.3-136.9 111.5 5.1 85.8 111.3 14 15 A I E - B 0 27A 37 13,-2.9 13,-2.4 -2,-0.4 3,-0.3 -0.821 12.1-173.8-126.2 92.0 6.4 83.8 108.4 15 16 A P E S+ 0 0 96 0, 0.0 11,-2.8 0, 0.0 2,-0.3 0.883 83.6 7.5 -48.8 -44.6 8.6 85.8 106.0 16 17 A E E - B 0 25A 127 9,-0.2 2,-0.5 10,-0.1 9,-0.2 -0.932 68.9-156.4-147.8 119.6 8.7 82.9 103.6 17 18 A L E + B 0 24A 30 7,-3.7 7,-2.0 -2,-0.3 2,-0.4 -0.844 16.5 176.2 -96.5 125.2 6.8 79.6 103.9 18 19 A N E + B 0 23A 94 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.911 13.8 145.0-134.8 107.6 8.5 76.7 102.1 19 20 A V E > - B 0 22A 46 3,-1.8 3,-2.7 -2,-0.4 -2,-0.0 -0.993 69.0 -12.1-146.3 134.6 7.0 73.2 102.4 20 21 A E T 3 S- 0 0 120 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.809 128.3 -51.4 46.9 38.5 6.6 70.3 99.9 21 22 A G T 3 S+ 0 0 77 1,-0.3 2,-0.4 149,-0.0 -1,-0.3 0.431 110.9 121.0 84.3 -1.4 7.7 72.5 97.0 22 23 A V E < -B 19 0A 36 -3,-2.7 -3,-1.8 2,-0.0 2,-0.5 -0.808 44.5-159.9-100.9 138.4 5.2 75.3 97.7 23 24 A T E +B 18 0A 79 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.965 14.3 170.2-123.1 122.8 6.2 78.9 98.4 24 25 A V E -B 17 0A 6 -7,-2.0 -7,-3.7 -2,-0.5 2,-0.3 -0.995 18.8-153.8-128.2 134.3 4.1 81.6 100.1 25 26 A K E +B 16 0A 125 -2,-0.4 -9,-0.2 -9,-0.2 -11,-0.0 -0.747 55.9 15.4-117.4 161.2 5.5 84.9 101.2 26 27 A N E + 0 0 101 -11,-2.8 2,-0.5 -2,-0.3 -1,-0.2 0.912 68.0 176.9 52.1 55.5 5.0 87.7 103.8 27 28 A I E +B 14 0A 3 -13,-2.4 -13,-2.9 -3,-0.2 2,-0.3 -0.776 7.4 158.7 -91.2 125.8 2.7 85.8 106.1 28 29 A R E +B 13 0A 51 -2,-0.5 2,-0.3 113,-0.3 -15,-0.2 -0.931 1.5 154.7-150.3 122.8 1.7 87.8 109.2 29 30 A A E -B 12 0A 18 -17,-2.6 -17,-2.6 -2,-0.3 2,-0.5 -0.952 17.3-172.5-153.1 127.7 -1.3 87.1 111.4 30 31 A F E +B 11 0A 34 -2,-0.3 2,-0.3 -19,-0.2 -19,-0.2 -0.990 26.7 151.8-121.5 121.6 -2.0 87.9 115.0 31 32 A N E -B 10 0A 18 -21,-2.1 -21,-3.1 -2,-0.5 2,-0.4 -0.966 38.5-140.2-147.5 162.0 -5.2 86.4 116.4 32 33 A V E -Bc 9 102A 3 69,-2.2 71,-1.1 -2,-0.3 2,-0.4 -0.997 27.8-163.7-123.9 128.5 -6.8 85.2 119.6 33 34 A L E -B 8 0A 0 -25,-3.0 -25,-2.7 -2,-0.4 2,-0.5 -0.938 19.9-141.7-122.7 139.7 -9.0 82.1 119.3 34 35 A N E -B 7 0A 5 69,-0.4 -27,-0.2 -2,-0.4 4,-0.1 -0.842 33.6-129.4 -90.4 126.4 -11.6 80.4 121.5 35 36 A E E S+B 6 0A 18 -29,-2.3 -29,-2.7 -2,-0.5 2,-0.1 -0.940 97.8 23.8-126.2 109.9 -11.2 76.7 121.2 36 37 A P S S- 0 0 6 0, 0.0 -1,-0.3 0, 0.0 183,-0.1 0.541 79.3-170.7 -79.8 159.4 -13.8 75.4 120.5 37 38 A E + 0 0 11 181,-0.2 69,-1.6 -2,-0.1 2,-0.4 0.750 66.9 62.4 -82.9 -29.4 -15.5 78.4 118.9 38 39 A T E -e 106 0B 3 67,-0.2 2,-0.4 -4,-0.1 69,-0.2 -0.865 55.3-177.0-110.9 135.0 -19.0 76.8 118.7 39 40 A L E -e 107 0B 2 67,-3.0 69,-3.6 -2,-0.4 2,-0.5 -0.995 7.0-167.2-127.8 125.7 -21.2 75.6 121.5 40 41 A V E +e 108 0B 10 -2,-0.4 2,-0.2 67,-0.2 69,-0.2 -0.963 17.7 157.5-117.9 122.3 -24.5 73.9 120.7 41 42 A V E -e 109 0B 9 67,-3.4 69,-2.6 -2,-0.5 2,-0.3 -0.755 38.5-102.8-131.8 179.4 -27.1 73.3 123.5 42 43 A K E > -e 110 0B 98 67,-0.2 3,-2.2 -2,-0.2 42,-0.2 -0.798 46.9 -89.7-107.1 149.0 -30.9 72.8 123.8 43 44 A K T 3 S+ 0 0 99 67,-2.7 42,-0.2 -2,-0.3 3,-0.1 -0.292 114.4 23.5 -56.7 136.5 -33.4 75.4 124.8 44 45 A G T 3 S+ 0 0 50 40,-3.9 -1,-0.3 1,-0.3 41,-0.2 0.306 90.3 138.9 90.4 -10.3 -33.8 75.4 128.6 45 46 A D < - 0 0 72 -3,-2.2 39,-2.5 39,-0.4 2,-0.6 -0.396 57.0-124.5 -70.7 143.4 -30.5 73.8 129.3 46 47 A A E - D 0 83A 80 37,-0.2 2,-0.4 -2,-0.1 37,-0.2 -0.787 33.6-152.2 -85.2 124.9 -28.3 75.1 132.2 47 48 A V E - D 0 82A 4 35,-3.8 35,-2.1 -2,-0.6 2,-0.4 -0.874 18.6-178.0-108.9 134.5 -25.0 76.0 130.6 48 49 A K E - D 0 81A 89 -2,-0.4 -45,-2.6 33,-0.2 2,-0.5 -0.989 3.7-174.0-129.7 120.8 -21.6 75.9 132.3 49 50 A V E -aD 3 80A 1 31,-3.9 31,-2.8 -2,-0.4 2,-1.0 -0.941 14.4-153.7-121.5 112.5 -18.5 77.0 130.4 50 51 A V E -aD 4 79A 27 -47,-2.5 -45,-2.1 -2,-0.5 2,-0.7 -0.738 18.9-161.8 -84.1 106.1 -15.1 76.6 132.0 51 52 A V E -aD 5 78A 0 27,-2.9 27,-2.5 -2,-1.0 2,-0.6 -0.823 6.9-168.0 -97.0 112.2 -13.1 79.3 130.2 52 53 A E E -aD 6 77A 56 -47,-2.5 -45,-2.7 -2,-0.7 2,-0.8 -0.883 9.9-151.6-100.2 118.3 -9.4 78.9 130.5 53 54 A N E +a 7 0A 1 23,-2.8 22,-1.3 -2,-0.6 -45,-0.1 -0.799 25.6 165.8 -96.0 104.4 -7.4 82.0 129.4 54 55 A K + 0 0 128 -47,-2.3 -45,-0.3 -2,-0.8 -46,-0.1 0.326 44.5 114.1 -94.8 4.0 -4.0 81.1 128.0 55 56 A S S S- 0 0 4 -48,-0.3 20,-0.8 2,-0.2 4,-0.1 -0.486 76.0-126.4 -74.2 147.0 -3.7 84.6 126.5 56 57 A P S S+ 0 0 68 0, 0.0 2,-0.3 0, 0.0 18,-0.1 0.441 92.3 41.7 -73.9 1.4 -0.9 86.7 128.0 57 58 A I S S- 0 0 24 16,-0.1 18,-0.2 15,-0.1 -2,-0.2 -0.908 105.6 -66.9-141.2 168.8 -3.5 89.5 128.6 58 59 A S - 0 0 30 -2,-0.3 2,-0.3 16,-0.1 15,-0.2 -0.262 52.0-160.6 -58.2 140.6 -7.1 89.8 129.8 59 60 A E E -G 72 0C 0 13,-2.4 13,-3.4 -4,-0.1 2,-0.3 -0.920 7.5-132.1-126.7 152.3 -9.7 88.3 127.5 60 61 A G E -G 71 0C 0 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.800 14.0-174.1-109.3 149.7 -13.4 88.8 127.1 61 62 A F E +G 70 0C 0 9,-2.2 9,-2.2 -2,-0.3 2,-0.3 -0.914 21.1 165.8-139.2 105.7 -16.2 86.3 126.8 62 63 A S E +GH 69 93C 0 31,-2.5 31,-2.0 -2,-0.4 2,-0.3 -0.946 24.9 177.5-129.9 147.8 -19.7 87.8 126.0 63 64 A I E > > -G 68 0C 1 5,-2.9 5,-2.1 -2,-0.3 3,-1.5 -0.789 14.5-163.9-145.5 92.4 -23.1 86.5 124.8 64 65 A D G > 5S+ 0 0 108 27,-0.4 3,-2.5 -2,-0.3 -1,-0.1 0.878 82.3 63.7 -45.0 -53.6 -25.5 89.5 124.7 65 66 A A G 3 5S+ 0 0 26 1,-0.3 -1,-0.3 26,-0.2 25,-0.0 0.744 113.6 34.0 -47.3 -30.9 -28.7 87.4 124.6 66 67 A F G < 5S- 0 0 29 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.121 113.7-108.1-116.8 23.1 -28.0 85.9 128.0 67 68 A G T < 5 + 0 0 68 -3,-2.5 2,-0.8 1,-0.2 -3,-0.2 0.752 63.8 155.6 60.0 25.9 -26.3 88.9 129.7 68 69 A V E < +G 63 0C 9 -5,-2.1 -5,-2.9 12,-0.0 2,-0.4 -0.771 2.0 151.5 -89.0 109.6 -22.9 87.2 129.6 69 70 A Q E +G 62 0C 124 -2,-0.8 2,-0.3 -7,-0.2 -7,-0.2 -0.850 20.5 161.3-138.1 97.9 -20.2 89.8 129.7 70 71 A E E -G 61 0C 71 -9,-2.2 -9,-2.2 -2,-0.4 2,-0.4 -0.853 30.3-153.4-124.6 156.4 -17.1 88.4 131.4 71 72 A V E -G 60 0C 57 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.2 -0.998 10.6-157.7-128.3 126.5 -13.4 89.2 131.6 72 73 A I E -G 59 0C 0 -13,-3.4 -13,-2.4 -2,-0.4 3,-0.1 -0.928 19.9-128.3-109.1 117.9 -10.8 86.5 132.2 73 74 A K > - 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0 0 4 8,-0.4 3,-0.2 -2,-0.3 8,-0.1 -0.892 16.6-165.3-101.0 120.1 -14.6 89.4 123.0 95 96 A Q S S+ 0 0 47 -2,-0.6 -1,-0.1 -25,-0.3 -24,-0.1 0.480 84.1 59.6 -83.5 -1.9 -15.6 92.9 124.1 96 97 A L S S+ 0 0 78 2,-0.1 -1,-0.2 6,-0.0 -37,-0.0 0.778 105.4 37.0 -95.8 -30.7 -11.9 93.9 124.7 97 98 A H S S- 0 0 45 -3,-0.2 2,-0.1 5,-0.1 -3,-0.1 -0.732 96.0 -74.7-123.0 168.2 -10.3 93.4 121.3 98 99 A P >> - 0 0 51 0, 0.0 3,-2.7 0, 0.0 4,-2.4 -0.412 40.8-126.2 -63.7 132.1 -11.2 93.8 117.6 99 100 A K T 34 S+ 0 0 31 1,-0.3 135,-0.0 2,-0.2 -5,-0.0 0.741 109.5 51.4 -49.3 -31.5 -13.6 91.1 116.3 100 101 A N T 34 S+ 0 0 0 3,-0.1 -1,-0.3 153,-0.1 3,-0.2 0.386 112.9 44.4 -93.4 7.2 -11.2 90.2 113.5 101 102 A I T <4 S+ 0 0 8 -3,-2.7 -69,-2.2 1,-0.3 2,-1.1 0.734 122.9 34.8-105.6 -58.7 -8.2 89.8 115.8 102 103 A H B < S-c 32 0A 1 -4,-2.4 -8,-0.4 -71,-0.3 -1,-0.3 -0.810 100.8-140.1 -96.1 93.4 -10.0 87.8 118.5 103 104 A L - 0 0 8 -2,-1.1 -69,-0.4 -71,-1.1 -3,-0.1 -0.292 12.8-120.4 -61.0 135.4 -12.4 85.9 116.2 104 105 A P - 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