==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 21-OCT-11 3UAC . COMPND 2 MOLECULE: BLUE COPPER OXIDASE CUEO; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.KOMORI,K.KATAOKA,T.SAKURAI,Y.HIGUCHI . 476 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18810.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 111 23.3 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 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 5.9 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 1 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 1 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 PARALLEL BRIDGES PER LADDER . 7 1 6 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 2 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 0 154 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.8 -14.0 -12.0 43.8 2 30 A E - 0 0 175 1,-0.1 193,-0.0 193,-0.0 0, 0.0 -0.206 360.0 -90.1 -61.2 163.2 -13.8 -10.4 40.3 3 31 A R - 0 0 81 1,-0.1 -1,-0.1 191,-0.1 190,-0.1 -0.462 40.8-110.4 -80.4 151.8 -10.7 -8.4 39.6 4 32 A P - 0 0 70 0, 0.0 191,-2.4 0, 0.0 2,-0.1 -0.445 40.8-100.8 -68.0 153.5 -10.6 -4.7 40.3 5 33 A T B -a 195 0A 108 189,-0.2 191,-0.2 1,-0.1 3,-0.0 -0.409 44.1 -93.7 -73.4 151.3 -10.5 -2.4 37.3 6 34 A L - 0 0 5 189,-2.4 -1,-0.1 -2,-0.1 183,-0.1 -0.508 43.4-120.5 -61.9 120.8 -7.2 -0.9 36.3 7 35 A P - 0 0 54 0, 0.0 184,-0.1 0, 0.0 -1,-0.1 -0.438 24.1-148.3 -63.8 141.5 -6.9 2.5 38.0 8 36 A I - 0 0 55 -2,-0.1 3,-0.1 140,-0.1 147,-0.1 -0.954 11.1-130.4-114.2 115.0 -6.5 5.3 35.4 9 37 A P - 0 0 19 0, 0.0 2,-0.1 0, 0.0 37,-0.0 -0.332 35.1-102.7 -57.8 142.3 -4.4 8.3 36.4 10 38 A D - 0 0 119 1,-0.1 39,-3.2 139,-0.0 2,-0.8 -0.440 27.5-127.3 -64.7 140.3 -6.2 11.6 35.6 11 39 A L E -f 49 0B 58 37,-0.2 2,-0.4 -2,-0.1 39,-0.2 -0.823 32.9-159.9 -92.1 102.4 -4.9 13.3 32.5 12 40 A L E +f 50 0B 42 37,-2.6 39,-3.1 -2,-0.8 2,-0.2 -0.768 16.5 173.5 -99.6 129.7 -4.1 16.9 33.7 13 41 A T - 0 0 91 -2,-0.4 39,-0.1 37,-0.2 6,-0.1 -0.662 38.7 -72.0-123.1 178.4 -3.7 20.0 31.5 14 42 A T - 0 0 50 -2,-0.2 6,-0.2 37,-0.2 -1,-0.1 -0.250 34.9-131.1 -81.4 162.7 -3.3 23.8 32.4 15 43 A D > - 0 0 84 4,-1.8 3,-2.2 1,-0.0 -1,-0.1 -0.239 45.7 -84.5 -92.6-169.8 -5.7 26.3 33.9 16 44 A A T 3 S+ 0 0 113 1,-0.3 -2,-0.1 2,-0.2 -1,-0.0 0.670 135.0 56.2 -77.1 -15.1 -6.3 29.8 32.5 17 45 A R T 3 S- 0 0 166 2,-0.2 -1,-0.3 42,-0.0 3,-0.1 0.298 120.0-118.3 -90.6 7.2 -3.3 30.9 34.5 18 46 A N < + 0 0 63 -3,-2.2 41,-2.3 1,-0.2 2,-0.3 0.811 69.7 137.4 60.6 38.1 -1.5 28.2 32.6 19 47 A R E -j 59 0C 49 39,-0.2 -4,-1.8 -6,-0.1 2,-0.4 -0.875 44.0-159.5-117.9 147.2 -0.7 26.4 35.8 20 48 A I E -j 60 0C 5 39,-2.1 41,-2.9 -2,-0.3 2,-0.5 -0.978 18.9-145.5-114.2 132.3 -0.9 22.7 36.9 21 49 A Q E -j 61 0C 113 -2,-0.4 2,-0.5 39,-0.2 41,-0.2 -0.919 16.4-177.1-104.3 123.5 -1.1 22.1 40.7 22 50 A L E -j 62 0C 0 39,-3.0 41,-2.8 -2,-0.5 2,-0.5 -0.993 5.8-165.8-120.0 125.9 0.7 19.1 42.2 23 51 A T E -j 63 0C 27 -2,-0.5 19,-2.6 39,-0.2 2,-0.6 -0.940 7.5-153.4-109.2 131.2 0.4 18.4 45.9 24 52 A I E +jK 64 41C 0 39,-3.2 41,-2.9 -2,-0.5 2,-0.3 -0.888 36.1 141.4-100.8 119.7 2.8 15.9 47.5 25 53 A G E - K 0 40C 11 15,-2.4 15,-2.5 -2,-0.6 2,-0.3 -0.990 47.5-105.0-156.8 167.7 1.3 14.2 50.5 26 54 A A E + K 0 39C 66 39,-0.3 13,-0.2 -2,-0.3 2,-0.2 -0.752 44.8 139.1 -97.3 145.6 0.8 11.2 52.7 27 55 A G E - K 0 38C 16 11,-3.2 11,-2.0 17,-0.4 2,-0.4 -0.656 46.4 -75.5-155.7-155.2 -2.4 9.2 52.9 28 56 A Q E + K 0 37C 88 9,-0.3 2,-0.3 -2,-0.2 9,-0.2 -0.962 32.9 179.9-126.2 141.4 -3.7 5.6 53.1 29 57 A S E - K 0 36C 18 7,-2.6 7,-2.7 -2,-0.4 2,-0.4 -0.878 21.6-131.2-126.5 166.4 -4.0 2.8 50.5 30 58 A T E - K 0 35C 96 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.975 20.2-179.6-120.2 131.6 -5.2 -0.8 50.8 31 59 A F E > S- K 0 34C 16 3,-2.2 3,-2.0 -2,-0.4 160,-0.1 -0.997 76.9 -14.5-129.7 124.0 -3.4 -3.8 49.5 32 60 A G T 3 S- 0 0 77 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.868 130.4 -53.8 49.3 45.1 -4.8 -7.3 50.0 33 61 A G T 3 S+ 0 0 71 1,-0.1 2,-0.5 -3,-0.0 -1,-0.3 0.511 115.3 109.2 71.1 7.4 -7.3 -5.8 52.4 34 62 A K E < -K 31 0C 113 -3,-2.0 -3,-2.2 132,-0.1 -1,-0.1 -0.968 65.9-124.1-118.7 133.8 -4.8 -4.2 54.8 35 63 A T E -K 30 0C 61 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.344 29.4-177.5 -70.8 149.7 -4.3 -0.4 55.1 36 64 A A E -K 29 0C 0 -7,-2.7 -7,-2.6 131,-0.1 2,-0.3 -0.990 32.3-112.1-141.5 142.0 -0.8 1.1 54.5 37 65 A T E +K 28 0C 49 -2,-0.3 131,-0.4 -9,-0.2 2,-0.3 -0.562 48.2 171.3 -68.5 129.7 0.5 4.6 54.7 38 66 A T E -K 27 0C 0 -11,-2.0 -11,-3.2 -2,-0.3 2,-0.4 -0.904 26.8-131.8-136.5 164.7 1.4 5.7 51.2 39 67 A W E +K 26 0C 18 87,-2.4 7,-0.8 -2,-0.3 2,-0.3 -0.932 29.1 167.3-117.5 144.9 2.4 8.9 49.5 40 68 A G E -Kl 25 46C 0 -15,-2.5 -15,-2.4 3,-0.4 2,-0.5 -0.961 38.8-112.9-147.7 168.3 1.0 10.3 46.3 41 69 A Y E S-K 24 0C 2 5,-3.0 -17,-0.2 88,-0.3 4,-0.2 -0.932 105.8 -8.7 -99.1 126.2 0.8 13.3 44.0 42 70 A N S S+ 0 0 70 -19,-2.6 2,-0.3 -2,-0.5 -1,-0.2 0.891 141.7 21.4 48.6 46.6 -2.8 14.7 44.0 43 71 A G S S- 0 0 42 -20,-0.4 -3,-0.4 -3,-0.3 -18,-0.3 -0.961 104.5 -66.8 155.7-171.0 -3.9 11.7 46.0 44 72 A N S S+ 0 0 89 -2,-0.3 -17,-0.4 1,-0.2 2,-0.3 0.624 107.7 18.1 -83.3 -17.3 -2.8 8.9 48.2 45 73 A L S S- 0 0 37 -4,-0.2 -5,-0.3 -7,-0.1 -1,-0.2 -0.979 113.0 -15.1-158.6 140.8 -0.6 6.9 45.8 46 74 A L B S-l 40 0C 12 81,-2.2 -5,-3.0 -7,-0.8 83,-0.2 -0.325 78.9-112.8 58.2-138.2 1.2 7.4 42.5 47 75 A G - 0 0 12 -7,-0.2 -5,-0.1 81,-0.1 83,-0.1 -0.984 23.7 -71.5-178.2 173.9 0.0 10.5 40.6 48 76 A P - 0 0 6 0, 0.0 83,-2.4 0, 0.0 2,-0.6 -0.225 45.0-106.3 -79.4 176.0 -1.7 12.0 37.6 49 77 A A E -fg 11 131B 0 -39,-3.2 -37,-2.6 81,-0.2 2,-0.5 -0.936 31.3-147.2-104.4 111.0 -0.5 12.1 34.0 50 78 A V E -fg 12 132B 0 81,-2.9 83,-2.7 -2,-0.6 2,-0.5 -0.690 11.4-145.5 -81.6 124.9 0.6 15.6 33.2 51 79 A K E + g 0 133B 66 -39,-3.1 2,-0.3 -2,-0.5 83,-0.2 -0.829 21.5 179.4 -98.8 128.3 -0.2 16.4 29.5 52 80 A L E - g 0 134B 3 81,-2.8 83,-2.7 -2,-0.5 2,-0.4 -0.899 17.2-145.4-128.9 148.4 2.3 18.7 27.7 53 81 A Q E > - g 0 135B 48 -2,-0.3 3,-1.8 81,-0.2 50,-0.3 -0.979 29.4-107.0-118.5 132.1 2.5 20.0 24.1 54 82 A R T 3 S+ 0 0 103 81,-2.8 50,-0.2 -2,-0.4 3,-0.1 -0.311 105.4 18.9 -54.2 133.9 5.7 20.5 22.2 55 83 A G T 3 S+ 0 0 67 48,-3.1 2,-0.4 1,-0.2 -1,-0.2 0.489 104.0 102.5 84.4 8.8 6.4 24.3 21.9 56 84 A K < - 0 0 135 -3,-1.8 47,-1.4 47,-0.3 2,-0.3 -0.974 61.9-140.5-121.9 141.9 4.2 25.3 24.7 57 85 A A E - M 0 102C 32 -2,-0.4 2,-0.3 45,-0.2 45,-0.2 -0.741 17.5-172.9 -96.9 146.9 5.3 26.3 28.1 58 86 A V E - M 0 101C 11 43,-2.2 43,-3.0 -2,-0.3 2,-0.5 -0.972 17.6-136.4-133.5 149.9 3.4 25.3 31.3 59 87 A T E -jM 19 100C 17 -41,-2.3 -39,-2.1 -2,-0.3 2,-0.5 -0.926 15.6-159.9-105.5 131.6 3.9 26.3 34.9 60 88 A V E -jM 20 99C 0 39,-3.2 39,-2.5 -2,-0.5 2,-0.6 -0.963 3.6-157.1-110.9 124.5 3.8 23.6 37.6 61 89 A D E -jM 21 98C 9 -41,-2.9 -39,-3.0 -2,-0.5 2,-0.6 -0.913 13.3-163.6 -99.0 120.6 3.1 24.6 41.3 62 90 A I E -jM 22 97C 4 35,-2.7 35,-2.4 -2,-0.6 2,-0.6 -0.948 4.3-166.0-117.0 113.0 4.4 21.9 43.5 63 91 A Y E -jM 23 96C 62 -41,-2.8 -39,-3.2 -2,-0.6 2,-0.9 -0.897 9.5-151.6-102.1 113.6 3.2 21.8 47.1 64 92 A N E +j 24 0C 1 31,-2.6 30,-2.0 -2,-0.6 31,-0.2 -0.796 23.4 167.5 -87.5 108.5 5.2 19.6 49.5 65 93 A Q + 0 0 132 -41,-2.9 -39,-0.3 -2,-0.9 -1,-0.2 0.228 45.9 103.4-104.1 12.6 2.8 18.5 52.2 66 94 A L S S- 0 0 9 2,-0.2 28,-0.5 -42,-0.2 4,-0.1 -0.375 79.3-124.4 -76.8 169.8 5.1 15.8 53.5 67 95 A T S S+ 0 0 139 26,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.277 91.0 62.2 -98.7 12.0 7.0 16.5 56.7 68 96 A E S S- 0 0 52 24,-0.1 -2,-0.2 23,-0.0 26,-0.2 -0.927 94.1 -91.7-129.8 158.2 10.4 15.8 55.0 69 97 A E + 0 0 84 -2,-0.3 2,-0.3 24,-0.1 -2,-0.1 -0.298 47.6 168.6 -60.1 148.5 12.2 17.5 52.1 70 98 A T B -N 91 0D 0 21,-1.3 21,-2.4 19,-0.1 2,-0.3 -0.913 21.1-148.1-147.3 177.7 11.7 16.2 48.6 71 99 A T - 0 0 0 -2,-0.3 2,-0.4 19,-0.2 45,-0.3 -0.901 13.0-135.7-141.0 167.0 12.4 17.1 45.0 72 100 A L - 0 0 5 17,-0.3 2,-0.4 -2,-0.3 14,-0.1 -0.928 19.6-173.6-134.4 117.3 10.5 16.5 41.7 73 101 A H E -H 113 0B 1 40,-2.7 40,-2.0 -2,-0.4 2,-1.0 -0.831 22.3-140.1-109.9 139.9 12.3 15.4 38.6 74 102 A W E > -H 112 0B 0 10,-0.6 3,-1.6 -2,-0.4 2,-0.4 -0.827 25.5-148.8-100.1 87.4 10.7 15.0 35.1 75 103 A H E 3 S+H 111 0B 0 36,-1.1 36,-2.2 -2,-1.0 57,-0.1 -0.476 80.3 11.7 -64.2 120.2 12.4 11.8 33.9 76 104 A G T 3 S+ 0 0 5 -2,-0.4 2,-0.4 1,-0.4 -1,-0.2 0.117 98.0 117.1 101.9 -19.4 12.8 11.9 30.2 77 105 A L < - 0 0 2 -3,-1.6 2,-0.9 34,-0.3 332,-0.5 -0.697 63.0-135.9 -86.2 132.4 11.9 15.6 29.8 78 106 A E + 0 0 15 -2,-0.4 26,-0.3 331,-0.1 -3,-0.1 -0.784 46.6 144.4 -89.5 98.7 14.8 17.8 28.4 79 107 A V - 0 0 1 -2,-0.9 369,-0.2 -5,-0.1 5,-0.1 -0.929 54.9 -82.8-135.3 157.6 14.8 20.9 30.6 80 108 A P >> - 0 0 48 0, 0.0 3,-1.8 0, 0.0 4,-0.6 -0.198 44.9-110.9 -57.2 151.8 17.4 23.3 32.0 81 109 A G G >4 S+ 0 0 3 368,-2.6 3,-1.2 1,-0.3 4,-0.5 0.850 113.0 70.2 -53.7 -35.1 19.1 22.1 35.2 82 110 A E G 34 S+ 0 0 102 367,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.817 112.9 28.1 -58.4 -28.0 17.3 24.9 37.2 83 111 A V G <4 S+ 0 0 27 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.339 92.5 99.8-115.6 11.3 14.0 23.1 36.8 84 112 A D S << S- 0 0 1 -3,-1.2 -10,-0.6 -4,-0.6 -2,-0.1 0.684 77.4-139.4 -72.5 -21.6 15.2 19.5 36.4 85 113 A G + 0 0 10 -4,-0.5 30,-0.1 -12,-0.2 -3,-0.1 0.776 43.5 153.3 72.2 27.9 14.5 18.7 40.1 86 114 A G S > S- 0 0 5 -5,-0.3 3,-2.4 369,-0.2 29,-0.2 0.020 70.2 -64.1 -72.1-169.4 17.6 16.6 40.9 87 115 A P T 3 S+ 0 0 2 0, 0.0 30,-0.4 0, 0.0 3,-0.1 0.714 135.9 58.5 -58.9 -20.3 18.8 16.5 44.5 88 116 A Q T 3 S+ 0 0 37 367,-0.2 2,-1.6 1,-0.2 28,-0.1 0.572 83.8 86.9 -80.8 -7.3 19.6 20.2 44.6 89 117 A G < + 0 0 22 -3,-2.4 -17,-0.3 26,-0.1 -1,-0.2 -0.247 68.4 179.6 -91.8 54.5 15.9 21.1 43.8 90 118 A I - 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