==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-OCT-10 3PAU . COMPND 2 MOLECULE: BLUE COPPER OXIDASE CUEO; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.A.ROBERTS,S.SINGH,W.R.MONTFORT . 464 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17170.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 303 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 23.5 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 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 5.8 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 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 . 4 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 . 4 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 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 94 0, 0.0 288,-0.2 0, 0.0 191,-0.0 0.000 360.0 360.0 360.0 172.8 31.8 28.4 9.2 2 31 A R + 0 0 186 191,-0.1 192,-0.1 2,-0.1 190,-0.1 0.811 360.0 79.1 -73.1 -46.9 32.1 32.0 10.2 3 32 A P S S- 0 0 63 0, 0.0 191,-2.5 0, 0.0 2,-0.1 -0.340 79.5-117.0 -71.8 141.5 29.5 33.1 12.9 4 33 A T B -a 194 0A 103 189,-0.2 191,-0.2 1,-0.1 -2,-0.1 -0.388 35.5 -94.3 -74.0 152.2 30.3 32.1 16.4 5 34 A L - 0 0 5 189,-2.3 -1,-0.1 284,-0.1 183,-0.1 -0.524 42.6-123.0 -64.9 120.9 27.9 29.8 18.2 6 35 A P - 0 0 56 0, 0.0 184,-0.1 0, 0.0 -1,-0.1 -0.395 22.8-144.8 -63.9 145.0 25.4 31.9 20.2 7 36 A I - 0 0 57 140,-0.1 3,-0.1 145,-0.1 147,-0.1 -0.974 12.2-127.4-119.5 113.2 25.5 31.0 23.9 8 37 A P - 0 0 17 0, 0.0 2,-0.1 0, 0.0 37,-0.0 -0.320 36.5-101.5 -56.3 140.1 22.2 31.1 25.8 9 38 A D - 0 0 136 1,-0.1 39,-3.1 139,-0.0 2,-1.2 -0.459 26.7-125.7 -67.2 136.8 22.5 33.2 29.0 10 39 A L E -f 48 0B 52 37,-0.2 2,-0.6 -2,-0.1 39,-0.2 -0.727 32.8-159.6 -83.5 95.1 22.9 31.2 32.2 11 40 A L E +f 49 0B 44 37,-1.7 39,-3.3 -2,-1.2 2,-0.2 -0.686 13.9 177.9 -86.9 117.8 20.0 32.7 34.2 12 41 A T - 0 0 78 -2,-0.6 39,-0.1 37,-0.2 6,-0.1 -0.670 36.7 -76.0-111.2 171.6 20.1 32.3 38.0 13 42 A T - 0 0 47 37,-0.3 6,-0.2 -2,-0.2 -1,-0.1 -0.223 41.9-137.4 -64.1 152.2 17.9 33.5 40.8 14 43 A D > - 0 0 86 4,-1.7 3,-1.4 0, 0.0 -1,-0.1 -0.082 46.7 -69.4 -93.5-163.3 18.0 37.1 42.0 15 44 A A T 3 S+ 0 0 94 1,-0.3 -2,-0.1 2,-0.1 0, 0.0 0.696 134.6 46.7 -70.9 -18.5 17.9 38.3 45.7 16 45 A R T 3 S- 0 0 193 2,-0.1 -1,-0.3 42,-0.1 3,-0.1 0.272 119.4-105.0-104.6 13.8 14.3 37.2 46.2 17 46 A N S < S+ 0 0 90 -3,-1.4 41,-2.4 1,-0.3 2,-0.3 0.921 79.5 133.3 60.3 46.7 14.7 33.8 44.6 18 47 A R E -j 58 0C 81 39,-0.2 -4,-1.7 -6,-0.1 2,-0.3 -0.920 38.7-168.1-127.3 155.5 12.9 34.9 41.5 19 48 A I E -j 59 0C 4 39,-1.8 41,-2.7 -2,-0.3 2,-0.4 -0.989 14.2-144.1-139.2 135.9 13.6 34.5 37.8 20 49 A Q E -j 60 0C 112 -2,-0.3 2,-0.4 39,-0.2 41,-0.2 -0.896 14.2-177.1-110.6 132.4 11.8 36.4 35.1 21 50 A L E -j 61 0C 0 39,-2.7 41,-3.0 -2,-0.4 2,-0.4 -0.995 7.2-164.4-123.5 126.8 10.9 35.0 31.6 22 51 A T E -j 62 0C 42 -2,-0.4 19,-2.4 39,-0.2 2,-0.6 -0.930 10.8-147.1-109.3 130.7 9.2 37.2 29.0 23 52 A I E +jK 63 40C 0 39,-3.3 41,-2.6 -2,-0.4 2,-0.3 -0.899 37.3 155.0-105.0 117.9 7.6 35.4 26.0 24 53 A G E - K 0 39C 13 15,-2.2 15,-2.6 -2,-0.6 2,-0.3 -0.961 44.7-117.2-148.1 152.3 7.9 37.7 23.0 25 54 A A E + K 0 38C 65 39,-0.5 13,-0.2 -2,-0.3 2,-0.2 -0.671 45.6 141.7 -86.8 148.1 8.0 38.1 19.2 26 55 A G E - K 0 37C 16 11,-3.1 11,-1.7 17,-0.4 2,-0.3 -0.685 43.2 -87.7-155.6-154.2 11.1 39.6 17.7 27 56 A Q E - K 0 36C 105 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.997 27.5-176.2-139.0 146.7 13.3 39.1 14.6 28 57 A S E - K 0 35C 20 7,-2.0 7,-1.9 -2,-0.3 2,-0.5 -0.920 21.7-129.1-130.0 162.3 16.2 36.9 13.6 29 58 A T E - K 0 34C 89 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.959 19.3-176.0-114.5 128.3 18.4 36.8 10.4 30 59 A F E > S- K 0 33C 18 3,-2.2 3,-1.5 -2,-0.5 160,-0.1 -0.971 76.2 -22.1-123.1 112.6 19.0 33.5 8.6 31 60 A G T 3 S- 0 0 74 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.928 128.6 -48.1 52.5 49.1 21.4 33.6 5.6 32 61 A G T 3 S+ 0 0 72 1,-0.1 2,-0.5 -3,-0.0 -1,-0.3 0.357 117.3 108.7 79.3 -3.8 20.8 37.3 5.1 33 62 A K E < -K 30 0C 111 -3,-1.5 -3,-2.2 132,-0.1 -1,-0.1 -0.920 61.8-135.6-117.1 124.0 17.0 37.1 5.3 34 63 A T E +K 29 0C 73 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.408 24.9 178.9 -78.8 149.2 14.9 38.5 8.3 35 64 A A E -K 28 0C 0 -7,-1.9 -7,-2.0 -2,-0.1 2,-0.3 -0.990 36.0-104.7-148.5 142.8 12.0 36.5 9.8 36 65 A T E +K 27 0C 54 -2,-0.3 131,-0.4 -9,-0.2 2,-0.3 -0.583 49.8 176.1 -67.5 130.1 9.6 37.0 12.6 37 66 A T E -K 26 0C 0 -11,-1.7 -11,-3.1 -2,-0.3 2,-0.4 -0.930 24.6-134.9-135.0 160.5 10.7 34.7 15.5 38 67 A W E +K 25 0C 18 87,-2.8 7,-0.8 -2,-0.3 2,-0.3 -0.904 29.3 164.6-115.9 146.1 9.6 34.1 19.0 39 68 A G E -Kl 24 45C 0 -15,-2.6 -15,-2.2 3,-0.4 2,-0.5 -0.966 39.3-112.0-152.1 165.1 11.9 33.8 22.1 40 69 A Y E S-K 23 0C 1 5,-3.4 -17,-0.2 88,-0.3 4,-0.2 -0.937 105.5 -9.3-100.1 128.8 12.2 33.7 25.8 41 70 A N S S+ 0 0 73 -19,-2.4 2,-0.3 -2,-0.5 -1,-0.2 0.925 140.9 24.7 48.8 47.5 14.0 36.8 27.1 42 71 A G S S- 0 0 42 -3,-0.4 -3,-0.4 -20,-0.3 -18,-0.3 -0.981 102.5 -67.5 160.1-171.8 14.9 37.6 23.5 43 72 A N S S+ 0 0 88 -2,-0.3 -17,-0.4 1,-0.2 2,-0.3 0.737 108.1 16.1 -83.6 -28.2 14.1 37.2 19.8 44 73 A L S S- 0 0 34 -4,-0.2 -5,-0.3 -19,-0.1 -1,-0.2 -0.984 115.0 -18.1-150.8 146.2 14.7 33.5 19.4 45 74 A L B S-l 39 0C 8 81,-1.8 -5,-3.4 -7,-0.8 84,-0.1 -0.190 79.4-117.9 52.4-136.0 15.1 30.4 21.7 46 75 A G - 0 0 10 -7,-0.2 -5,-0.1 81,-0.1 84,-0.1 -0.983 23.8 -60.5-179.8 179.7 15.9 31.4 25.3 47 76 A P - 0 0 6 0, 0.0 83,-2.2 0, 0.0 2,-0.7 -0.081 44.9-110.4 -72.8 174.3 18.1 31.3 28.3 48 77 A A E -fg 10 130B 0 -39,-3.1 -37,-1.7 81,-0.2 2,-0.3 -0.951 32.9-145.7-106.8 101.4 19.4 28.4 30.3 49 78 A V E -fg 11 131B 0 81,-2.4 83,-3.0 -2,-0.7 2,-0.5 -0.572 13.4-146.5 -66.2 124.9 17.6 28.6 33.6 50 79 A K E - g 0 132B 60 -39,-3.3 -37,-0.3 -2,-0.3 2,-0.3 -0.886 20.3-178.8-104.3 129.4 20.0 27.4 36.3 51 80 A L E - g 0 133B 5 81,-2.7 83,-3.2 -2,-0.5 2,-0.5 -0.911 20.4-143.4-128.1 149.5 18.6 25.6 39.3 52 81 A Q E > - g 0 134B 55 -2,-0.3 3,-2.0 3,-0.2 50,-0.3 -0.965 32.9-109.3-116.9 127.4 20.0 24.0 42.4 53 82 A R T 3 S+ 0 0 102 81,-3.0 50,-0.2 -2,-0.5 3,-0.1 -0.232 102.9 15.6 -54.7 135.8 18.4 20.8 43.8 54 83 A G T 3 S+ 0 0 53 48,-4.0 2,-0.4 1,-0.2 -1,-0.3 0.443 103.0 107.6 78.9 1.0 16.5 21.4 47.1 55 84 A K < - 0 0 135 -3,-2.0 47,-0.9 47,-0.2 2,-0.3 -0.941 63.1-136.7-113.7 133.7 16.4 25.2 46.6 56 85 A A E - M 0 101C 41 -2,-0.4 2,-0.3 45,-0.2 45,-0.2 -0.617 21.2-179.3 -96.4 147.2 13.1 26.8 45.6 57 86 A V E - M 0 100C 9 43,-2.0 43,-2.8 -2,-0.3 2,-0.5 -0.971 21.2-138.7-134.3 151.4 12.6 29.5 43.0 58 87 A T E -jM 18 99C 28 -41,-2.4 -39,-1.8 -2,-0.3 2,-0.5 -0.964 17.3-152.6-108.0 132.1 9.6 31.4 41.8 59 88 A V E -jM 19 98C 0 39,-2.8 39,-2.1 -2,-0.5 2,-0.6 -0.935 0.2-156.3-105.5 123.2 9.4 32.0 38.0 60 89 A D E -jM 20 97C 10 -41,-2.7 -39,-2.7 -2,-0.5 2,-0.5 -0.921 15.3-167.7 -99.1 111.9 7.5 35.0 36.9 61 90 A I E -jM 21 96C 4 35,-3.0 35,-2.5 -2,-0.6 2,-0.6 -0.911 4.7-166.2-111.3 120.4 6.4 34.3 33.3 62 91 A Y E -jM 22 95C 61 -41,-3.0 -39,-3.3 -2,-0.5 2,-1.0 -0.916 12.6-147.1-111.0 120.7 5.1 37.1 31.2 63 92 A N E +j 23 0C 0 31,-2.5 30,-3.2 -2,-0.6 -39,-0.1 -0.745 24.7 168.4 -86.1 105.4 3.2 36.3 28.0 64 93 A Q + 0 0 115 -41,-2.6 -39,-0.5 -2,-1.0 -1,-0.1 0.141 47.7 99.8-103.1 19.5 4.1 39.2 25.6 65 94 A L S S- 0 0 11 2,-0.2 28,-0.3 -41,-0.2 4,-0.1 -0.392 79.3-125.2 -82.2 174.0 2.6 37.4 22.6 66 95 A T S S+ 0 0 141 -2,-0.1 2,-0.3 26,-0.1 -1,-0.1 0.303 90.8 60.3-104.7 5.1 -0.9 38.1 21.3 67 96 A E S S- 0 0 53 24,-0.1 -2,-0.2 1,-0.0 26,-0.1 -0.949 96.0 -90.0-123.5 154.3 -2.0 34.5 21.5 68 97 A E + 0 0 85 -2,-0.3 2,-0.3 24,-0.1 -2,-0.1 -0.211 47.5 170.6 -45.8 142.6 -2.2 32.1 24.4 69 98 A T B -N 90 0D 0 21,-1.3 21,-2.3 19,-0.1 2,-0.3 -0.932 20.8-144.5-148.2 169.3 0.8 30.0 25.3 70 99 A T - 0 0 0 -2,-0.3 2,-0.5 19,-0.2 44,-0.3 -0.924 12.8-135.6-131.4 159.6 1.9 27.6 28.2 71 100 A L - 0 0 6 17,-0.4 2,-0.3 -2,-0.3 14,-0.1 -0.897 23.4-176.9-124.2 105.3 5.3 27.0 29.7 72 101 A H E -H 112 0B 1 40,-2.5 40,-1.9 -2,-0.5 2,-0.9 -0.783 22.8-143.7-103.2 140.0 6.4 23.4 30.4 73 102 A W E > -H 111 0B 1 10,-0.6 3,-1.9 -2,-0.3 2,-0.3 -0.790 23.3-150.5-101.3 90.3 9.6 22.3 32.0 74 103 A H E 3 S+H 110 0B 0 36,-1.5 36,-2.1 -2,-0.9 3,-0.1 -0.453 80.4 16.5 -69.4 119.8 10.4 19.1 30.1 75 104 A G T 3 S+ 0 0 5 -2,-0.3 2,-0.4 1,-0.3 -1,-0.3 0.177 95.3 125.5 105.3 -14.6 12.3 16.6 32.3 76 105 A L < - 0 0 1 -3,-1.9 2,-1.3 34,-0.2 322,-0.6 -0.653 57.6-140.4 -86.7 130.8 11.4 18.3 35.6 77 106 A E + 0 0 17 -2,-0.4 26,-0.4 321,-0.1 -1,-0.1 -0.751 52.9 133.1 -90.8 87.5 9.7 16.4 38.4 78 107 A V - 0 0 2 -2,-1.3 359,-0.2 -5,-0.1 22,-0.1 -0.891 61.0 -80.4-132.0 158.3 7.2 19.0 39.6 79 108 A P > - 0 0 41 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.201 43.0-109.6 -57.5 153.9 3.4 18.9 40.5 80 109 A G T 3 S+ 0 0 5 358,-2.5 4,-0.5 1,-0.3 3,-0.4 0.703 114.7 70.1 -58.0 -21.9 0.9 19.2 37.7 81 110 A E T 3 S+ 0 0 97 357,-0.4 -1,-0.3 1,-0.2 358,-0.1 0.760 111.3 27.3 -63.7 -33.0 0.1 22.7 38.9 82 111 A V S < S+ 0 0 22 -3,-1.8 -1,-0.2 361,-0.1 -2,-0.2 0.244 97.6 93.4-112.5 11.7 3.4 24.1 37.7 83 112 A D S S- 0 0 0 -4,-0.4 -10,-0.6 -3,-0.4 -2,-0.1 0.727 78.8-142.7 -85.8 -25.6 4.0 21.6 34.9 84 113 A G + 0 0 10 -4,-0.5 30,-0.1 -12,-0.2 -3,-0.1 0.811 37.3 157.5 73.8 35.6 2.5 23.8 32.3 85 114 A G > - 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