==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-JUL-10 3NSD . COMPND 2 MOLECULE: BLUE COPPER OXIDASE CUEO; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.R.MONTFORT,S.A.ROBERTS,S.K.SINGH . 462 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17357.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 302 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 23.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 . 53 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 2 2 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 0 0 2 3 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 0 7 3 3 1 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 1 1 3 1 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 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 30 A E 0 0 222 0, 0.0 3,-0.1 0, 0.0 193,-0.0 0.000 360.0 360.0 360.0 -38.6 -13.2 -10.1 41.3 2 31 A R - 0 0 85 1,-0.1 190,-0.1 191,-0.1 192,-0.1 -0.540 360.0-110.2 -73.0 142.0 -10.0 -8.4 40.5 3 32 A P - 0 0 60 0, 0.0 191,-2.5 0, 0.0 2,-0.2 -0.298 40.2 -99.1 -63.3 156.8 -10.0 -4.6 41.1 4 33 A T B -a 194 0A 107 189,-0.2 191,-0.2 1,-0.1 3,-0.0 -0.512 43.0 -93.3 -77.7 151.8 -9.9 -2.5 38.0 5 34 A L - 0 0 6 189,-2.3 183,-0.1 -2,-0.2 -1,-0.1 -0.489 44.5-123.3 -62.2 119.0 -6.6 -1.0 36.9 6 35 A P - 0 0 56 0, 0.0 184,-0.1 0, 0.0 -1,-0.1 -0.384 21.7-146.0 -64.9 141.0 -6.4 2.5 38.4 7 36 A I - 0 0 55 145,-0.1 3,-0.1 140,-0.1 147,-0.1 -0.934 10.3-131.9-112.3 112.2 -5.9 5.1 35.8 8 37 A P - 0 0 16 0, 0.0 37,-0.0 0, 0.0 2,-0.0 -0.284 35.8-101.4 -54.8 137.4 -3.8 8.2 36.7 9 38 A D - 0 0 126 1,-0.1 39,-3.7 139,-0.0 2,-0.9 -0.362 26.1-128.4 -63.7 140.3 -5.5 11.4 35.7 10 39 A L E -f 48 0B 54 37,-0.2 2,-0.5 -3,-0.1 39,-0.2 -0.856 34.0-158.7 -93.8 104.3 -4.2 13.0 32.6 11 40 A L E +f 49 0B 42 37,-2.7 39,-3.1 -2,-0.9 2,-0.2 -0.763 16.5 175.9-100.6 123.1 -3.5 16.5 33.8 12 41 A T - 0 0 81 -2,-0.5 39,-0.1 37,-0.2 2,-0.1 -0.661 40.3 -74.0-113.9 174.0 -3.2 19.6 31.5 13 42 A T - 0 0 49 -2,-0.2 6,-0.2 37,-0.2 -1,-0.1 -0.341 41.1-136.2 -71.4 149.6 -2.8 23.3 32.3 14 43 A D > - 0 0 87 4,-2.0 3,-2.2 -2,-0.1 -1,-0.1 -0.131 46.0 -72.7 -87.7-171.5 -5.5 25.4 33.7 15 44 A A T 3 S+ 0 0 113 1,-0.3 -2,-0.1 2,-0.1 -1,-0.0 0.782 135.7 51.4 -58.2 -30.2 -6.4 29.0 32.6 16 45 A R T 3 S- 0 0 213 2,-0.1 -1,-0.3 42,-0.0 3,-0.1 0.387 119.7-110.5 -87.8 7.0 -3.3 30.4 34.3 17 46 A N S < S+ 0 0 64 -3,-2.2 41,-2.1 1,-0.3 2,-0.3 0.754 76.0 135.8 64.3 31.3 -1.1 27.8 32.5 18 47 A R E -j 58 0C 95 39,-0.2 -4,-2.0 -6,-0.1 2,-0.4 -0.774 45.6-162.3-114.8 151.9 -0.5 26.0 35.8 19 48 A I E -j 59 0C 2 39,-1.7 41,-3.4 -2,-0.3 2,-0.5 -0.997 16.4-150.1-124.1 127.2 -0.5 22.5 37.1 20 49 A Q E -j 60 0C 113 -2,-0.4 2,-0.5 39,-0.2 41,-0.2 -0.895 13.3-176.2-100.1 129.3 -0.7 22.0 40.8 21 50 A L E -j 61 0C 0 39,-3.2 41,-2.4 -2,-0.5 2,-0.6 -0.990 7.7-162.0-125.9 116.6 1.0 19.0 42.3 22 51 A T E -j 62 0C 27 -2,-0.5 19,-2.4 39,-0.2 2,-0.6 -0.904 6.9-152.5-100.3 122.1 0.5 18.4 46.1 23 52 A I E +jK 63 40C 0 39,-3.1 41,-3.2 -2,-0.6 2,-0.3 -0.826 37.6 146.8 -96.0 119.8 3.1 16.0 47.7 24 53 A G E - K 0 39C 12 15,-2.4 15,-2.3 -2,-0.6 2,-0.4 -0.977 48.1-107.4-155.8 166.5 1.4 14.3 50.7 25 54 A A E + K 0 38C 67 39,-0.3 13,-0.3 -2,-0.3 2,-0.2 -0.801 46.4 138.6-104.8 136.6 0.9 11.4 53.0 26 55 A G E - K 0 37C 16 11,-3.4 11,-1.7 17,-0.5 2,-0.3 -0.540 44.2 -87.0-146.5-152.6 -2.2 9.4 53.0 27 56 A Q E - K 0 36C 118 9,-0.3 2,-0.3 -2,-0.2 9,-0.2 -0.986 27.3-176.7-139.8 146.7 -3.3 5.8 53.2 28 57 A S E - K 0 35C 18 7,-2.2 7,-2.7 -2,-0.3 2,-0.5 -0.901 22.9-126.8-131.0 163.1 -3.7 2.8 50.9 29 58 A T E - K 0 34C 90 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.961 20.7-175.5-113.3 128.2 -5.0 -0.7 51.4 30 59 A F E > S- K 0 33C 14 3,-3.3 3,-2.1 -2,-0.5 160,-0.1 -0.994 78.1 -12.1-122.2 125.6 -2.9 -3.8 50.3 31 60 A G T 3 S- 0 0 72 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.922 131.4 -55.6 53.8 43.4 -4.4 -7.3 50.6 32 61 A G T 3 S+ 0 0 71 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.527 117.9 114.0 66.1 8.5 -7.1 -5.6 52.7 33 62 A K E < -K 30 0C 115 -3,-2.1 -3,-3.3 132,-0.1 -1,-0.2 -0.934 65.0-121.8-114.9 136.8 -4.5 -4.1 55.1 34 63 A T E -K 29 0C 66 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.435 28.1-178.6 -78.4 140.8 -3.8 -0.3 55.5 35 64 A A E -K 28 0C 0 -7,-2.7 -7,-2.2 -2,-0.1 2,-0.5 -0.990 33.9-113.8-130.9 144.2 -0.4 1.3 54.9 36 65 A T E +K 27 0C 51 -2,-0.3 131,-0.4 -9,-0.2 2,-0.3 -0.691 48.7 175.8 -64.6 125.3 0.8 4.8 55.2 37 66 A T E -K 26 0C 0 -11,-1.7 -11,-3.4 -2,-0.5 2,-0.3 -0.937 24.6-137.0-131.5 158.9 1.6 5.9 51.6 38 67 A W E +K 25 0C 19 87,-2.7 7,-0.8 -2,-0.3 2,-0.3 -0.881 29.4 161.7-113.2 147.1 2.8 9.0 49.9 39 68 A G E -Kl 24 45C 0 -15,-2.3 -15,-2.4 3,-0.4 2,-0.5 -0.942 40.8-107.4-152.0 173.9 1.5 10.3 46.6 40 69 A Y E S-K 23 0C 2 5,-2.7 -17,-0.2 -2,-0.3 4,-0.2 -0.961 104.2 -9.4-106.7 125.0 1.1 13.3 44.3 41 70 A N S S+ 0 0 72 -19,-2.4 2,-0.3 -2,-0.5 -1,-0.2 0.889 139.3 19.6 49.1 42.3 -2.4 14.6 44.2 42 71 A G S S- 0 0 46 -20,-0.4 -3,-0.4 -3,-0.2 -18,-0.3 -0.982 105.8 -61.1 164.6-161.6 -3.7 11.6 46.1 43 72 A N S S+ 0 0 88 -2,-0.3 -17,-0.5 1,-0.2 2,-0.3 0.705 108.4 11.4 -79.8 -22.5 -2.7 8.8 48.5 44 73 A L S S- 0 0 38 -4,-0.2 -5,-0.3 -19,-0.1 -1,-0.2 -0.987 111.9 -9.0-165.4 144.2 -0.3 7.0 46.2 45 74 A L B S-l 39 0C 9 81,-1.9 -5,-2.7 -7,-0.8 83,-0.2 -0.360 79.7-111.9 57.3-129.3 1.6 7.3 42.9 46 75 A G - 0 0 11 -7,-0.2 -5,-0.1 81,-0.1 83,-0.1 -0.968 22.8 -74.6 178.6 172.7 0.5 10.4 40.9 47 76 A P - 0 0 7 0, 0.0 83,-1.7 0, 0.0 2,-0.6 -0.210 46.6-106.3 -78.7 174.3 -1.2 11.8 37.8 48 77 A A E -fg 10 130B 0 -39,-3.7 -37,-2.7 81,-0.2 2,-0.5 -0.966 30.6-143.0-105.3 115.5 0.2 11.9 34.3 49 78 A V E -fg 11 131B 0 81,-2.5 83,-2.2 -2,-0.6 2,-0.5 -0.689 14.3-144.3 -81.0 123.9 1.3 15.4 33.5 50 79 A K E - g 0 132B 64 -39,-3.1 2,-0.3 -2,-0.5 -37,-0.2 -0.802 22.9-179.5 -96.4 124.6 0.5 16.0 29.8 51 80 A L E - g 0 133B 3 81,-3.0 83,-2.7 -2,-0.5 2,-0.4 -0.867 17.4-146.5-122.4 152.7 3.0 18.2 28.0 52 81 A Q E > - g 0 134B 54 -2,-0.3 3,-1.9 81,-0.2 50,-0.3 -0.993 27.3-111.6-120.8 128.5 3.2 19.5 24.4 53 82 A R T 3 S+ 0 0 108 81,-2.7 50,-0.2 -2,-0.4 3,-0.1 -0.218 104.5 23.3 -47.0 133.4 6.5 20.1 22.5 54 83 A G T 3 S+ 0 0 68 48,-3.4 2,-0.4 1,-0.2 -1,-0.2 0.315 105.7 100.2 89.9 -7.8 7.1 23.8 21.9 55 84 A K < - 0 0 135 -3,-1.9 47,-1.7 47,-0.2 2,-0.3 -0.877 63.1-135.3-117.5 144.2 4.9 24.9 24.8 56 85 A A E - M 0 101C 32 -2,-0.4 2,-0.3 45,-0.2 45,-0.2 -0.681 18.4-175.1 -90.9 148.4 5.7 26.1 28.3 57 86 A V E - M 0 100C 8 43,-1.7 43,-3.1 -2,-0.3 2,-0.5 -0.976 16.7-141.9-137.2 148.6 3.9 24.9 31.5 58 87 A T E -jM 18 99C 22 -41,-2.1 -39,-1.7 -2,-0.3 2,-0.5 -0.969 14.8-157.3-111.0 127.7 4.4 26.1 35.0 59 88 A V E -jM 19 98C 0 39,-3.2 39,-2.1 -2,-0.5 2,-0.6 -0.925 3.2-155.6-108.1 124.9 4.2 23.5 37.7 60 89 A D E -jM 20 97C 12 -41,-3.4 -39,-3.2 -2,-0.5 2,-0.6 -0.920 12.6-165.8 -97.1 119.2 3.3 24.5 41.3 61 90 A I E -jM 21 96C 3 35,-2.3 35,-2.3 -2,-0.6 2,-0.6 -0.949 4.8-169.5-116.9 109.6 4.7 21.9 43.7 62 91 A Y E -jM 22 95C 73 -41,-2.4 -39,-3.1 -2,-0.6 2,-1.0 -0.910 11.0-152.7-102.3 110.6 3.3 22.0 47.3 63 92 A N E +j 23 0C 0 31,-2.4 30,-2.9 -2,-0.6 31,-0.3 -0.765 23.0 168.3 -87.9 102.1 5.3 19.8 49.6 64 93 A Q + 0 0 130 -41,-3.2 -39,-0.3 -2,-1.0 -40,-0.2 0.194 44.0 107.7-101.1 14.7 2.9 18.8 52.4 65 94 A L S S- 0 0 9 2,-0.2 28,-0.4 -42,-0.2 4,-0.1 -0.387 79.0-123.2 -72.3 164.5 5.2 16.0 53.8 66 95 A T S S+ 0 0 141 26,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.218 91.9 59.9 -93.5 10.6 7.0 16.8 57.1 67 96 A E S S- 0 0 46 24,-0.1 -2,-0.2 23,-0.0 26,-0.2 -0.956 93.8 -89.3-135.9 164.4 10.3 16.2 55.4 68 97 A E + 0 0 83 -2,-0.3 2,-0.3 24,-0.1 47,-0.1 -0.190 47.8 163.1 -65.5 154.3 12.3 17.7 52.5 69 98 A T B -N 90 0D 0 21,-1.2 21,-2.6 -4,-0.1 2,-0.3 -0.954 23.9-141.2-159.1 175.8 11.9 16.4 49.0 70 99 A T - 0 0 0 -2,-0.3 2,-0.5 19,-0.2 45,-0.2 -0.910 14.7-131.2-136.5 164.3 12.6 17.3 45.3 71 100 A L - 0 0 6 17,-0.4 2,-0.4 -2,-0.3 14,-0.1 -0.926 24.6-177.6-126.7 107.0 10.7 16.8 42.1 72 101 A H E -H 112 0B 2 40,-2.7 40,-2.0 -2,-0.5 2,-0.9 -0.870 20.9-146.8-100.3 139.0 12.7 15.4 39.2 73 102 A W E > -H 111 0B 0 10,-0.5 3,-1.7 -2,-0.4 2,-0.3 -0.836 24.0-146.7-105.3 93.9 11.1 14.8 35.7 74 103 A H E 3 S+H 110 0B 0 36,-1.3 36,-2.1 -2,-0.9 3,-0.1 -0.496 79.6 17.7 -70.9 123.3 13.0 11.7 34.5 75 104 A G T 3 S+ 0 0 5 -2,-0.3 2,-0.4 1,-0.3 -1,-0.2 0.207 94.4 124.9 104.5 -9.7 13.5 11.7 30.7 76 105 A L < - 0 0 3 -3,-1.7 2,-1.2 34,-0.2 320,-0.5 -0.688 57.8-139.3 -91.5 136.6 13.0 15.5 30.2 77 106 A E + 0 0 22 -2,-0.4 26,-0.4 319,-0.1 320,-0.1 -0.740 51.5 135.9 -95.7 90.8 15.5 17.7 28.6 78 107 A V - 0 0 2 -2,-1.2 357,-0.2 -5,-0.1 22,-0.1 -0.901 59.5 -83.1-135.7 155.2 15.3 20.8 30.8 79 108 A P > - 0 0 46 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.273 42.1-110.7 -59.6 151.6 17.9 23.1 32.4 80 109 A G G >> S+ 0 0 3 356,-2.4 3,-1.7 1,-0.3 4,-0.5 0.826 112.9 72.2 -48.8 -36.0 19.4 22.1 35.6 81 110 A E G 34 S+ 0 0 89 355,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.742 111.1 27.1 -57.8 -28.4 17.6 24.8 37.4 82 111 A V G <4 S+ 0 0 24 -3,-2.1 -1,-0.3 359,-0.1 -9,-0.2 0.155 92.5 103.0-116.7 12.8 14.3 22.9 37.0 83 112 A D T <4 S- 0 0 0 -3,-1.7 -10,-0.5 -4,-0.4 -2,-0.1 0.742 75.2-141.5 -68.8 -25.3 15.8 19.4 37.0 84 113 A G < + 0 0 12 -4,-0.5 30,-0.1 -12,-0.2 -3,-0.1 0.830 42.8 155.2 65.1 30.9 14.8 18.7 40.6 85 114 A G > - 0 0 6 -5,-0.4 3,-2.3 357,-0.2 29,-0.2 -0.024 68.5 -69.0 -67.8-170.1 17.9 16.8 41.4 86 115 A P T 3 S+ 0 0 2 0, 0.0 30,-0.3 0, 0.0 3,-0.2 0.689 136.1 60.5 -64.3 -19.6 19.0 16.8 45.1 87 116 A Q T 3 S+ 0 0 42 355,-0.2 2,-1.0 1,-0.2 28,-0.1 0.591 84.2 85.9 -78.5 -8.1 19.9 20.5 45.1 88 117 A G < - 0 0 22 -3,-2.3 -17,-0.4 26,-0.1 -1,-0.2 -0.248 69.0-179.3 -90.0 49.9 16.2 21.2 44.2 89 118 A I - 0 0 55 -2,-1.0 -19,-0.2 -3,-0.2 -2,-0.1 -0.186 19.3-167.1 -55.6 131.2 15.0 21.2 47.8 90 119 A I B -N 69 0D 5 -21,-2.6 -21,-1.2 4,-0.1 3,-0.1 -0.970 25.9-131.1-120.0 110.2 11.3 21.8 48.5 91 120 A P > - 0 0 40 0, 0.0 3,-2.5 0, 0.0 -28,-0.3 -0.234 32.4 -90.0 -66.2 151.8 10.9 22.5 52.2 92 121 A P T 3 S+ 0 0 61 0, 0.0 -28,-0.2 0, 0.0 -26,-0.1 -0.442 117.7 11.6 -59.3 129.7 8.3 20.6 54.2 93 122 A G T 3 S+ 0 0 69 -30,-2.9 -29,-0.1 -28,-0.4 2,-0.1 0.446 111.7 109.1 79.1 0.4 5.2 22.7 54.0 94 123 A G < - 0 0 21 -3,-2.5 -31,-2.4 -31,-0.3 2,-0.3 -0.432 59.5-131.7 -99.4-177.0 6.7 25.0 51.3 95 124 A K E -M 62 0C 81 -33,-0.2 2,-0.4 -2,-0.1 -33,-0.2 -0.962 13.8-172.4-137.8 139.8 6.1 25.5 47.6 96 125 A R E -M 61 0C 122 -35,-2.3 -35,-2.3 -2,-0.3 2,-0.4 -0.995 9.8-156.3-138.5 136.5 8.3 25.6 44.5 97 126 A S E -M 60 0C 55 -2,-0.4 2,-0.3 -37,-0.2 -37,-0.2 -0.902 9.4-173.3-117.0 141.5 7.3 26.5 41.0 98 127 A V E -M 59 0C 24 -39,-2.1 -39,-3.2 -2,-0.4 2,-0.5 -0.997 17.1-143.6-139.3 137.5 9.1 25.5 37.9 99 128 A T E -M 58 0C 64 -2,-0.3 2,-0.6 -41,-0.2 -41,-0.2 -0.919 15.9-160.0-107.4 121.1 8.5 26.5 34.3 100 129 A L E -M 57 0C 1 -43,-3.1 -43,-1.7 -2,-0.5 2,-0.9 -0.939 6.4-166.8-107.6 113.6 9.1 23.6 31.8 101 130 A N E -M 56 0C 110 -2,-0.6 2,-0.4 -45,-0.2 -45,-0.2 -0.876 24.0-141.3-101.0 98.5 9.7 24.7 28.2 102 131 A V + 0 0 4 -47,-1.7 -48,-3.4 -2,-0.9 -47,-0.2 -0.510 32.5 165.0 -76.2 124.7 9.3 21.3 26.4 103 132 A D + 0 0 73 -2,-0.4 -1,-0.1 -26,-0.4 -50,-0.1 -0.386 44.2 77.5-138.8 49.0 11.8 20.9 23.5 104 133 A Q S S- 0 0 1 3,-0.0 -51,-0.1 1,-0.0 3,-0.1 -0.970 78.2 -81.8-155.8 163.6 11.8 17.1 22.6 105 134 A P - 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