==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-FEB-11 3QQX . COMPND 2 MOLECULE: BLUE COPPER OXIDASE CUEO; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.R.MONTFORT,S.A.ROBERTS,S.K.SINGH . 474 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18310.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 113 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 . 51 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 1 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 1 1 0 3 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 PARALLEL BRIDGES PER LADDER . 6 1 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 0 3 2 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 29 A A 0 0 125 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.8 -11.3 -13.4 44.5 2 30 A E - 0 0 187 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.569 360.0-132.3 -64.0 121.5 -13.0 -10.6 42.7 3 31 A R - 0 0 70 -2,-0.4 190,-0.1 1,-0.1 3,-0.1 -0.599 13.4-117.2 -82.1 144.2 -10.2 -8.4 41.4 4 32 A P - 0 0 55 0, 0.0 191,-2.5 0, 0.0 2,-0.1 -0.336 38.1-100.8 -65.6 157.8 -10.2 -4.6 41.9 5 33 A T B -a 195 0A 106 189,-0.2 191,-0.2 1,-0.1 3,-0.0 -0.471 45.1 -91.9 -77.5 154.1 -10.3 -2.5 38.7 6 34 A L - 0 0 6 189,-2.3 183,-0.1 -2,-0.1 -1,-0.1 -0.545 43.5-122.3 -64.0 119.4 -7.0 -1.0 37.6 7 35 A P - 0 0 55 0, 0.0 184,-0.1 0, 0.0 -1,-0.1 -0.387 23.0-147.4 -63.0 141.5 -6.7 2.5 39.0 8 36 A I - 0 0 56 145,-0.1 3,-0.1 140,-0.1 147,-0.1 -0.950 12.0-129.7-115.7 112.4 -6.3 5.1 36.3 9 37 A P - 0 0 17 0, 0.0 2,-0.1 0, 0.0 37,-0.0 -0.354 33.8-103.0 -59.1 138.6 -4.2 8.1 37.2 10 38 A D - 0 0 131 1,-0.1 39,-3.2 139,-0.0 2,-0.9 -0.365 27.5-126.6 -59.2 135.8 -5.9 11.4 36.3 11 39 A L E -f 49 0B 55 37,-0.2 2,-0.5 -2,-0.1 39,-0.2 -0.807 33.6-158.4 -91.5 105.8 -4.6 13.0 33.1 12 40 A L E +f 50 0B 45 37,-2.7 39,-2.9 -2,-0.9 2,-0.2 -0.774 16.6 173.9-103.3 121.4 -3.8 16.5 34.3 13 41 A T - 0 0 81 -2,-0.5 39,-0.1 37,-0.2 6,-0.1 -0.621 38.9 -75.8-115.3 173.5 -3.5 19.6 32.0 14 42 A T - 0 0 50 37,-0.2 6,-0.2 -2,-0.2 -1,-0.2 -0.224 40.4-133.7 -68.0 157.3 -3.0 23.3 32.7 15 43 A D > - 0 0 87 4,-1.4 3,-2.4 1,-0.0 -1,-0.1 -0.355 43.9 -76.9 -96.2-173.4 -5.7 25.6 33.9 16 44 A A T 3 S+ 0 0 100 1,-0.3 -2,-0.1 2,-0.1 -1,-0.0 0.741 134.4 53.1 -59.5 -27.0 -6.6 29.1 32.5 17 45 A R T 3 S- 0 0 200 2,-0.1 -1,-0.3 42,-0.0 3,-0.1 0.334 120.3-111.7 -88.9 6.2 -3.6 30.6 34.3 18 46 A N S < S+ 0 0 65 -3,-2.4 41,-2.2 1,-0.2 2,-0.3 0.770 74.7 134.0 69.6 30.8 -1.4 28.0 32.6 19 47 A R E -j 59 0C 96 39,-0.2 -4,-1.4 -6,-0.1 2,-0.4 -0.792 44.4-161.7-117.8 150.4 -0.7 26.2 36.0 20 48 A I E -j 60 0C 2 39,-2.3 41,-2.7 -2,-0.3 2,-0.5 -0.998 17.7-148.8-126.0 129.7 -0.7 22.7 37.2 21 49 A Q E -j 61 0C 107 -2,-0.4 2,-0.4 39,-0.2 41,-0.2 -0.907 13.6-176.0-104.9 130.6 -0.9 22.1 41.0 22 50 A L E -j 62 0C 0 39,-2.9 41,-2.8 -2,-0.5 2,-0.5 -0.996 6.6-163.4-123.8 123.7 0.7 19.1 42.8 23 51 A T E -j 63 0C 28 -2,-0.4 19,-2.6 39,-0.2 2,-0.6 -0.943 7.1-153.2-107.2 125.3 0.3 18.5 46.5 24 52 A I E +jK 64 41C 0 39,-3.1 41,-2.8 -2,-0.5 2,-0.3 -0.884 36.5 149.7 -97.2 119.7 2.7 16.2 48.3 25 53 A G E - K 0 40C 13 15,-2.3 15,-2.5 -2,-0.6 2,-0.4 -0.983 45.3-113.2-155.2 158.7 1.0 14.7 51.3 26 54 A A E + K 0 39C 66 39,-0.3 13,-0.2 -2,-0.3 2,-0.2 -0.790 45.9 135.0 -96.7 136.2 0.6 11.8 53.6 27 55 A G E - K 0 38C 18 11,-3.4 11,-1.7 17,-0.4 2,-0.3 -0.524 46.5 -80.8-145.0-141.9 -2.6 9.7 53.8 28 56 A Q E - K 0 37C 117 9,-0.3 2,-0.3 -2,-0.2 9,-0.2 -0.974 28.5-175.6-139.1 150.3 -3.6 6.0 53.9 29 57 A S E - K 0 36C 17 7,-2.4 7,-2.3 -2,-0.3 2,-0.4 -0.868 21.3-128.4-133.9 167.6 -4.1 3.1 51.5 30 58 A T E + K 0 35C 95 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.986 21.1 179.8-123.7 135.0 -5.3 -0.4 52.0 31 59 A F E > S- K 0 34C 15 3,-2.3 3,-1.5 -2,-0.4 160,-0.1 -0.995 77.8 -12.5-133.2 124.2 -3.4 -3.5 50.8 32 60 A G T 3 S- 0 0 71 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.886 130.1 -55.6 47.5 42.2 -4.9 -7.0 51.4 33 61 A G T 3 S+ 0 0 71 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.644 115.7 110.3 69.1 16.4 -7.5 -5.4 53.7 34 62 A K E < -K 31 0C 131 -3,-1.5 -3,-2.3 132,-0.1 -1,-0.2 -0.987 64.9-126.5-122.3 135.1 -4.9 -3.7 56.0 35 63 A T E -K 30 0C 62 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.450 26.5-176.6 -77.6 149.7 -4.4 0.0 56.2 36 64 A A E -K 29 0C 0 -7,-2.3 -7,-2.4 -2,-0.1 2,-0.3 -0.995 33.4-109.7-142.6 142.4 -0.9 1.6 55.7 37 65 A T E +K 28 0C 52 -2,-0.3 131,-0.4 -9,-0.2 2,-0.3 -0.584 49.8 173.8 -63.9 126.7 0.3 5.1 55.9 38 66 A T E -K 27 0C 0 -11,-1.7 -11,-3.4 -2,-0.3 2,-0.4 -0.911 24.7-135.9-136.2 162.1 1.2 6.1 52.3 39 67 A W E +K 26 0C 18 87,-2.5 7,-0.8 -2,-0.3 2,-0.3 -0.935 28.2 164.8-116.9 147.4 2.3 9.3 50.5 40 68 A G E -Kl 25 46C 0 -15,-2.5 -15,-2.3 3,-0.4 2,-0.5 -0.964 40.2-109.7-152.3 169.1 1.1 10.7 47.2 41 69 A Y E S-K 24 0C 2 5,-3.0 -17,-0.2 88,-0.3 4,-0.2 -0.923 106.3 -11.4 -97.4 123.5 0.9 13.5 44.8 42 70 A N S S+ 0 0 77 -19,-2.6 2,-0.3 -2,-0.5 -1,-0.2 0.917 140.6 26.8 49.3 49.2 -2.8 14.9 44.7 43 71 A G S S- 0 0 42 -20,-0.4 -3,-0.4 -3,-0.3 -18,-0.3 -0.962 103.2 -71.0 155.0-178.8 -3.8 11.8 46.7 44 72 A N S S+ 0 0 93 -2,-0.3 -17,-0.4 1,-0.2 2,-0.3 0.605 108.6 17.3 -83.8 -19.7 -2.9 9.1 49.1 45 73 A L S S- 0 0 36 -4,-0.2 -5,-0.3 -7,-0.1 -1,-0.2 -0.978 112.8 -15.6-158.2 139.1 -0.6 7.1 46.8 46 74 A L B S-l 40 0C 11 81,-2.0 -5,-3.0 -7,-0.8 84,-0.1 -0.336 78.5-107.3 61.5-140.6 1.3 7.5 43.5 47 75 A G - 0 0 14 -7,-0.2 -5,-0.1 81,-0.1 83,-0.1 -0.971 23.8 -76.2-175.5 170.5 0.3 10.5 41.4 48 76 A P - 0 0 8 0, 0.0 83,-2.2 0, 0.0 2,-0.7 -0.205 45.4-104.2 -78.6 175.7 -1.5 11.9 38.4 49 77 A A E -fg 11 131B 0 -39,-3.2 -37,-2.7 81,-0.2 2,-0.5 -0.920 32.5-147.5-103.1 105.6 -0.3 11.9 34.8 50 78 A V E -fg 12 132B 0 81,-2.7 83,-2.6 -2,-0.7 2,-0.5 -0.634 12.4-146.0 -75.4 121.7 0.9 15.4 33.9 51 79 A K E + g 0 133B 63 -39,-2.9 2,-0.3 -2,-0.5 -37,-0.2 -0.825 21.6 177.7 -98.7 125.8 0.3 16.1 30.2 52 80 A L E - g 0 134B 3 81,-2.8 83,-2.8 -2,-0.5 2,-0.4 -0.909 18.1-144.9-126.2 151.3 2.8 18.3 28.3 53 81 A Q E > - g 0 135B 40 -2,-0.3 3,-2.0 81,-0.2 50,-0.3 -0.984 29.6-107.4-120.8 132.9 3.0 19.4 24.7 54 82 A R T 3 S+ 0 0 100 81,-2.5 50,-0.2 -2,-0.4 3,-0.1 -0.283 105.7 18.5 -53.6 127.4 6.3 19.9 22.8 55 83 A G T 3 S+ 0 0 67 48,-3.4 2,-0.4 1,-0.2 -1,-0.3 0.347 102.6 104.6 92.2 -5.4 6.9 23.7 22.3 56 84 A K < - 0 0 129 -3,-2.0 47,-1.4 47,-0.2 2,-0.4 -0.890 62.1-137.5-113.4 138.3 4.5 24.9 25.0 57 85 A A E - M 0 102C 34 -2,-0.4 2,-0.3 45,-0.2 45,-0.2 -0.784 20.7-174.8 -90.9 140.5 5.5 26.2 28.5 58 86 A V E - M 0 101C 9 43,-2.3 43,-2.8 -2,-0.4 2,-0.5 -0.962 17.7-138.4-129.9 150.5 3.7 25.1 31.6 59 87 A T E -jM 19 100C 20 -41,-2.2 -39,-2.3 -2,-0.3 2,-0.5 -0.933 15.1-161.1-110.4 128.6 4.0 26.3 35.2 60 88 A V E -jM 20 99C 0 39,-3.0 39,-2.1 -2,-0.5 2,-0.6 -0.950 4.0-156.9-113.8 122.5 3.8 23.7 38.0 61 89 A D E -jM 21 98C 10 -41,-2.7 -39,-2.9 -2,-0.5 2,-0.6 -0.892 12.3-162.8 -99.3 118.8 3.1 24.8 41.6 62 90 A I E -jM 22 97C 4 35,-3.1 35,-2.7 -2,-0.6 2,-0.6 -0.912 4.9-167.2-113.8 113.9 4.4 22.2 44.0 63 91 A Y E -jM 23 96C 66 -41,-2.8 -39,-3.1 -2,-0.6 2,-0.9 -0.898 9.0-153.6-102.8 112.9 3.1 22.2 47.6 64 92 A N E +j 24 0C 1 31,-2.3 30,-2.6 -2,-0.6 31,-0.2 -0.759 22.5 167.2 -89.9 106.0 5.1 20.0 50.1 65 93 A Q + 0 0 125 -41,-2.8 -39,-0.3 -2,-0.9 -1,-0.1 0.180 44.3 105.9-104.0 15.1 2.6 19.1 52.9 66 94 A L S S- 0 0 9 2,-0.3 28,-0.4 -41,-0.2 4,-0.1 -0.315 79.4-123.7 -75.4 171.2 4.9 16.4 54.3 67 95 A T S S+ 0 0 143 26,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.311 92.0 59.4-100.2 7.1 6.7 17.2 57.6 68 96 A E S S- 0 0 48 24,-0.1 -2,-0.3 1,-0.0 26,-0.2 -0.906 93.9 -89.4-129.8 160.6 10.0 16.5 55.9 69 97 A E + 0 0 84 -2,-0.3 2,-0.3 24,-0.1 -2,-0.1 -0.271 46.9 166.2 -61.8 150.6 11.9 17.9 53.0 70 98 A T B -N 91 0D 0 21,-1.2 21,-2.5 19,-0.1 2,-0.3 -0.907 22.0-146.3-150.4 177.9 11.5 16.6 49.5 71 99 A T - 0 0 0 -2,-0.3 2,-0.5 19,-0.2 45,-0.3 -0.927 14.6-133.3-139.8 163.8 12.3 17.5 45.9 72 100 A L - 0 0 5 17,-0.3 2,-0.4 -2,-0.3 14,-0.1 -0.945 22.8-174.1-129.4 111.0 10.4 16.8 42.6 73 101 A H E -H 113 0B 1 40,-3.0 40,-1.8 -2,-0.5 2,-0.9 -0.829 21.0-141.6-109.0 140.0 12.4 15.5 39.7 74 102 A W E > -H 112 0B 1 10,-0.6 3,-1.8 -2,-0.4 2,-0.5 -0.848 24.0-146.3-104.8 93.9 11.0 15.0 36.1 75 103 A H E 3 S+H 111 0B 0 36,-1.9 36,-2.2 -2,-0.9 57,-0.1 -0.553 80.7 12.0 -74.0 117.2 12.7 11.7 35.0 76 104 A G T 3 S+ 0 0 6 -2,-0.5 2,-0.4 1,-0.3 -1,-0.3 0.244 94.2 130.3 101.6 -6.0 13.4 11.8 31.3 77 105 A L < - 0 0 2 -3,-1.8 2,-1.3 34,-0.2 326,-0.6 -0.663 55.7-140.9 -84.3 130.6 12.7 15.5 30.8 78 106 A E + 0 0 19 -2,-0.4 26,-0.4 325,-0.1 326,-0.1 -0.734 53.3 136.7 -87.2 89.7 15.3 17.6 29.0 79 107 A V - 0 0 1 -2,-1.3 363,-0.1 -5,-0.1 5,-0.1 -0.950 58.9 -85.0-135.7 152.9 15.0 20.7 31.2 80 108 A P > - 0 0 44 0, 0.0 3,-2.0 0, 0.0 4,-0.5 -0.262 41.7-108.5 -58.1 154.2 17.6 23.0 32.7 81 109 A G G >> S+ 0 0 3 362,-2.6 3,-1.3 1,-0.3 4,-0.5 0.822 113.2 66.7 -45.4 -43.3 19.2 22.2 36.0 82 110 A E G 34 S+ 0 0 99 361,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.757 113.0 29.9 -61.2 -22.0 17.3 24.8 37.9 83 111 A V G <4 S+ 0 0 24 -3,-2.0 -1,-0.3 365,-0.1 -2,-0.2 0.299 93.0 99.1-114.3 7.0 14.0 23.0 37.4 84 112 A D T <4 S- 0 0 1 -3,-1.3 -10,-0.6 -4,-0.5 -2,-0.1 0.694 78.8-139.5 -72.4 -21.1 15.4 19.4 37.3 85 113 A G < + 0 0 13 -4,-0.5 30,-0.2 -12,-0.2 -12,-0.1 0.808 42.6 156.0 70.9 28.2 14.5 18.8 41.0 86 114 A G > - 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