==== 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 3PAV . COMPND 2 MOLECULE: BLUE COPPER OXIDASE CUEO; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.R.MONTFORT,S.A.ROBERTS,S.K.SINGH . 466 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17772.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 298 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 24.0 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 . 52 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 6.2 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 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 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 . 4 2 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 4 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 0 209 0, 0.0 3,-0.1 0, 0.0 193,-0.0 0.000 360.0 360.0 360.0 141.9 -6.8 -15.7 10.3 2 31 A R - 0 0 83 1,-0.1 192,-0.1 191,-0.0 190,-0.1 -0.438 360.0 -96.9 -75.2 152.2 -3.5 -13.8 10.5 3 32 A P - 0 0 62 0, 0.0 191,-2.4 0, 0.0 2,-0.2 -0.351 47.5-100.0 -62.8 151.0 -3.5 -10.2 11.8 4 33 A T B -a 194 0A 113 189,-0.2 191,-0.2 1,-0.1 0, 0.0 -0.503 44.4 -97.3 -71.3 145.2 -3.7 -7.5 9.1 5 34 A L - 0 0 9 189,-2.3 -1,-0.1 -2,-0.2 183,-0.1 -0.505 40.2-124.2 -60.5 121.3 -0.4 -5.9 8.3 6 35 A P - 0 0 56 0, 0.0 184,-0.1 0, 0.0 -1,-0.1 -0.404 21.6-149.1 -67.2 143.0 -0.1 -2.6 10.2 7 36 A I - 0 0 53 -2,-0.1 3,-0.1 140,-0.1 2,-0.1 -0.971 13.0-127.7-115.8 117.0 0.6 0.4 7.9 8 37 A P - 0 0 16 0, 0.0 2,-0.1 0, 0.0 37,-0.0 -0.394 35.1-104.2 -57.2 138.3 2.6 3.3 9.3 9 38 A D - 0 0 132 1,-0.1 39,-3.2 -2,-0.1 2,-0.8 -0.409 25.7-124.3 -63.6 138.0 0.9 6.7 8.8 10 39 A L E -f 48 0B 53 37,-0.2 2,-0.5 -2,-0.1 39,-0.2 -0.793 34.8-159.0 -87.1 108.0 2.2 8.9 6.0 11 40 A L E +f 49 0B 45 37,-2.6 39,-2.7 -2,-0.8 2,-0.2 -0.837 15.9 174.3-107.7 122.0 3.0 12.1 7.9 12 41 A T - 0 0 86 -2,-0.5 39,-0.1 37,-0.2 6,-0.1 -0.756 38.9 -72.5-120.6 165.5 3.4 15.5 6.2 13 42 A T - 0 0 50 37,-0.3 6,-0.2 -2,-0.2 -1,-0.1 -0.092 38.9-133.0 -63.0 153.5 3.9 19.1 7.6 14 43 A D > - 0 0 90 4,-2.2 3,-2.1 1,-0.0 -1,-0.1 -0.163 47.3 -75.6 -87.4-170.8 1.3 21.2 9.5 15 44 A A T 3 S+ 0 0 116 1,-0.3 -2,-0.1 2,-0.1 -1,-0.0 0.655 133.8 54.8 -68.8 -15.7 0.6 24.9 8.8 16 45 A R T 3 S- 0 0 176 2,-0.2 -1,-0.3 42,-0.1 3,-0.1 0.330 120.2-109.3 -90.9 3.3 3.8 25.9 10.5 17 46 A N S < S+ 0 0 69 -3,-2.1 41,-2.1 1,-0.3 2,-0.3 0.753 77.8 134.8 70.7 29.5 5.8 23.6 8.2 18 47 A R E -j 58 0C 49 39,-0.2 -4,-2.2 -6,-0.1 2,-0.4 -0.794 45.4-161.4-116.7 150.1 6.4 21.3 11.2 19 48 A I E -j 59 0C 3 39,-1.9 41,-2.7 -2,-0.3 2,-0.5 -0.996 17.0-147.2-123.7 131.9 6.3 17.6 11.9 20 49 A Q E -j 60 0C 103 -2,-0.4 2,-0.5 39,-0.2 41,-0.2 -0.902 14.2-176.7-105.8 124.5 6.1 16.4 15.6 21 50 A L E -j 61 0C 0 39,-2.6 41,-2.9 -2,-0.5 2,-0.5 -0.989 6.7-164.2-118.4 120.6 7.7 13.2 16.7 22 51 A T E -j 62 0C 42 -2,-0.5 19,-2.6 39,-0.2 2,-0.6 -0.932 8.5-151.4-104.8 123.3 7.3 12.0 20.3 23 52 A I E +jK 63 40C 0 39,-3.0 41,-2.6 -2,-0.5 2,-0.3 -0.861 36.2 155.3 -93.4 118.4 9.7 9.3 21.5 24 53 A G E - K 0 39C 13 15,-2.5 15,-2.5 -2,-0.6 2,-0.4 -0.965 43.7-116.8-150.5 156.8 7.9 7.3 24.2 25 54 A A E + K 0 38C 67 39,-0.3 13,-0.2 -2,-0.3 2,-0.2 -0.804 45.8 135.1 -94.0 136.6 7.5 4.0 26.1 26 55 A G E - K 0 37C 13 11,-3.2 11,-1.6 17,-0.4 2,-0.3 -0.546 47.1 -79.8-147.3-143.5 4.3 2.0 25.9 27 56 A Q E - K 0 36C 95 9,-0.3 2,-0.3 -2,-0.2 9,-0.2 -0.984 29.4-176.8-139.7 143.8 3.2 -1.6 25.5 28 57 A S E - K 0 35C 19 7,-2.6 7,-2.9 -2,-0.3 2,-0.4 -0.914 20.9-130.0-130.9 163.4 2.8 -4.1 22.7 29 58 A T E + K 0 34C 89 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.967 22.4 177.0-119.0 132.3 1.5 -7.7 22.5 30 59 A F E > S- K 0 33C 17 3,-2.5 3,-2.0 -2,-0.4 160,-0.1 -0.991 74.1 -11.9-132.9 124.3 3.4 -10.6 20.9 31 60 A G T 3 S- 0 0 75 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.859 129.2 -54.9 56.1 38.0 2.2 -14.2 20.9 32 61 A G T 3 S+ 0 0 72 1,-0.2 2,-0.4 133,-0.0 -1,-0.3 0.403 117.6 107.9 76.8 -1.1 -0.4 -13.2 23.5 33 62 A K E < -K 30 0C 112 -3,-2.0 -3,-2.5 132,-0.1 -1,-0.2 -0.928 65.4-129.6-112.4 131.9 2.2 -11.8 26.0 34 63 A T E -K 29 0C 80 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.446 25.5-174.2 -75.7 147.1 2.5 -8.0 26.7 35 64 A A E -K 28 0C 0 -7,-2.9 -7,-2.6 -2,-0.1 2,-0.3 -0.996 31.6-110.9-138.8 142.3 5.9 -6.3 26.5 36 65 A T E +K 27 0C 48 -2,-0.3 131,-0.4 -9,-0.2 2,-0.3 -0.585 49.5 174.1 -62.7 125.2 7.2 -2.8 27.3 37 66 A T E -K 26 0C 0 -11,-1.6 -11,-3.2 -2,-0.3 2,-0.4 -0.904 25.8-133.0-134.1 163.7 8.1 -1.3 23.9 38 67 A W E +K 25 0C 18 87,-2.4 7,-0.8 -2,-0.3 2,-0.3 -0.925 29.0 167.4-117.7 146.4 9.3 2.1 22.6 39 68 A G E -Kl 24 45C 0 -15,-2.5 -15,-2.5 3,-0.4 2,-0.6 -0.967 38.7-113.6-151.0 163.8 7.9 4.0 19.6 40 69 A Y E S-K 23 0C 2 5,-3.1 -17,-0.2 88,-0.3 4,-0.2 -0.918 105.5 -10.1 -96.8 120.7 7.7 7.2 17.6 41 70 A N S S+ 0 0 77 -19,-2.6 2,-0.3 -2,-0.6 -1,-0.2 0.919 140.7 20.6 54.2 45.5 4.2 8.6 17.8 42 71 A G S S- 0 0 43 -20,-0.4 -3,-0.4 -3,-0.3 -18,-0.3 -0.964 104.6 -63.2 154.6-170.0 3.0 5.4 19.3 43 72 A N S S+ 0 0 88 -2,-0.3 -17,-0.4 1,-0.2 2,-0.3 0.678 108.4 13.5 -81.9 -23.3 3.9 2.2 21.2 44 73 A L S S- 0 0 36 -4,-0.2 -5,-0.3 -7,-0.1 -1,-0.2 -0.989 112.8 -12.2-158.0 144.8 6.3 0.6 18.6 45 74 A L B S-l 39 0C 9 81,-2.0 -5,-3.1 -7,-0.8 83,-0.2 -0.318 79.3-110.4 56.5-135.7 8.1 1.6 15.4 46 75 A G - 0 0 11 -7,-0.2 -5,-0.1 81,-0.1 83,-0.1 -0.973 23.9 -73.1-177.6 174.2 7.0 4.9 13.9 47 76 A P - 0 0 9 0, 0.0 83,-2.0 0, 0.0 2,-0.7 -0.226 45.8-105.0 -80.7 175.5 5.3 6.8 11.1 48 77 A A E -fg 10 130B 0 -39,-3.2 -37,-2.6 81,-0.2 2,-0.4 -0.930 32.2-146.8-102.5 107.2 6.5 7.4 7.5 49 78 A V E -fg 11 131B 0 81,-2.7 83,-2.8 -2,-0.7 2,-0.5 -0.633 12.2-145.2 -74.7 124.7 7.7 11.0 7.2 50 79 A K E + g 0 132B 64 -39,-2.7 2,-0.3 -2,-0.4 -37,-0.3 -0.846 21.9 179.4-100.3 123.4 7.0 12.2 3.7 51 80 A L E - g 0 133B 1 81,-2.9 83,-2.6 -2,-0.5 2,-0.4 -0.850 17.3-144.2-122.1 156.2 9.6 14.7 2.2 52 81 A Q E > - g 0 134B 100 -2,-0.3 3,-2.0 81,-0.2 50,-0.2 -0.988 27.7-109.3-126.3 128.0 9.8 16.5 -1.2 53 82 A R T 3 S+ 0 0 111 81,-2.6 50,-0.2 -2,-0.4 3,-0.1 -0.295 105.7 19.8 -52.3 131.0 13.1 17.2 -3.1 54 83 A G T 3 S+ 0 0 66 48,-2.9 2,-0.4 1,-0.3 -1,-0.3 0.425 104.9 102.9 87.9 -0.1 13.8 21.0 -3.0 55 84 A K < - 0 0 120 -3,-2.0 47,-1.5 47,-0.2 2,-0.3 -0.906 60.6-139.2-119.0 144.0 11.5 21.7 0.0 56 85 A A E - M 0 101C 33 -2,-0.4 2,-0.3 45,-0.2 45,-0.2 -0.711 18.4-177.9 -95.5 148.1 12.5 22.3 3.7 57 86 A V E - M 0 100C 8 43,-1.8 43,-2.6 -2,-0.3 2,-0.5 -0.966 19.5-137.1-138.6 156.7 10.7 20.9 6.7 58 87 A T E -jM 18 99C 21 -41,-2.1 -39,-1.9 -2,-0.3 2,-0.5 -0.978 15.5-157.7-116.0 129.9 11.2 21.4 10.4 59 88 A V E -jM 19 98C 0 39,-3.1 39,-2.2 -2,-0.5 2,-0.6 -0.941 3.0-156.7-111.4 123.6 11.0 18.4 12.8 60 89 A D E -jM 20 97C 11 -41,-2.7 -39,-2.6 -2,-0.5 2,-0.6 -0.901 12.5-162.7 -99.3 119.1 10.3 18.8 16.5 61 90 A I E -jM 21 96C 7 35,-2.8 35,-2.1 -2,-0.6 2,-0.7 -0.921 3.3-166.0-113.5 109.8 11.6 15.8 18.4 62 91 A Y E -jM 22 95C 71 -41,-2.9 -39,-3.0 -2,-0.6 2,-0.9 -0.873 9.5-151.3-100.0 112.6 10.2 15.3 21.9 63 92 A N E +j 23 0C 0 31,-2.3 30,-2.3 -2,-0.7 31,-0.2 -0.760 24.6 166.0 -83.6 104.3 12.1 12.8 24.1 64 93 A Q + 0 0 119 -41,-2.6 -39,-0.3 -2,-0.9 -1,-0.1 0.201 45.2 103.6-102.7 12.1 9.6 11.3 26.5 65 94 A L S S- 0 0 9 2,-0.2 28,-0.4 -42,-0.2 4,-0.1 -0.376 79.8-122.8 -75.0 170.2 11.8 8.4 27.5 66 95 A T S S+ 0 0 139 26,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.276 91.5 61.2 -99.8 9.5 13.7 8.5 30.9 67 96 A E S S- 0 0 52 24,-0.1 -2,-0.2 23,-0.0 26,-0.1 -0.947 94.2 -91.7-129.7 159.8 17.1 8.2 29.1 68 97 A E + 0 0 80 -2,-0.3 2,-0.3 24,-0.1 47,-0.1 -0.275 48.7 168.6 -62.1 146.1 19.0 10.2 26.6 69 98 A T B -N 90 0D 0 21,-1.2 21,-2.2 19,-0.1 2,-0.3 -0.903 21.9-147.7-148.7 173.1 18.6 9.4 22.9 70 99 A T - 0 0 0 -2,-0.3 2,-0.4 19,-0.2 45,-0.3 -0.897 14.0-134.4-136.6 167.6 19.4 10.8 19.4 71 100 A L - 0 0 6 17,-0.3 2,-0.4 -2,-0.3 14,-0.1 -0.925 19.8-171.6-134.3 110.4 17.5 10.7 16.1 72 101 A H E -H 112 0B 2 40,-2.9 40,-1.9 -2,-0.4 2,-1.0 -0.819 18.7-144.2-103.8 135.2 19.4 9.8 12.9 73 102 A W E > -H 111 0B 1 10,-0.6 3,-1.7 -2,-0.4 2,-0.4 -0.815 24.3-147.7-100.3 91.7 17.9 10.0 9.3 74 103 A H E 3 S+H 110 0B 0 36,-1.4 36,-1.9 -2,-1.0 57,-0.1 -0.508 79.2 15.3 -70.3 120.1 19.6 7.1 7.6 75 104 A G T 3 S+ 0 0 5 -2,-0.4 2,-0.4 1,-0.3 -1,-0.2 0.215 92.3 130.0 101.6 -9.8 20.2 7.7 4.0 76 105 A L < - 0 0 4 -3,-1.7 2,-1.4 34,-0.2 324,-0.6 -0.605 55.5-141.3 -84.4 131.0 19.6 11.5 4.1 77 106 A E + 0 0 18 -2,-0.4 26,-0.3 323,-0.1 324,-0.1 -0.723 55.3 132.6 -88.6 89.9 22.2 13.8 2.5 78 107 A V - 0 0 4 -2,-1.4 361,-0.2 -5,-0.1 22,-0.1 -0.921 61.6 -82.1-137.8 157.5 22.0 16.5 5.2 79 108 A P > - 0 0 53 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.223 41.4-110.8 -59.3 154.6 24.6 18.5 7.3 80 109 A G G > S+ 0 0 4 360,-2.5 3,-1.3 1,-0.3 4,-0.5 0.819 112.7 69.0 -53.3 -36.0 26.2 16.9 10.4 81 110 A E G 3 S+ 0 0 131 359,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.771 111.8 30.1 -58.0 -26.8 24.3 19.4 12.6 82 111 A V G < S+ 0 0 24 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.290 94.9 96.9-112.7 9.5 21.0 17.7 11.8 83 112 A D S < S- 0 0 1 -3,-1.3 -10,-0.6 -4,-0.4 -2,-0.1 0.692 77.7-141.2 -77.8 -21.4 22.4 14.2 11.2 84 113 A G + 0 0 12 -4,-0.5 30,-0.1 -12,-0.2 -3,-0.1 0.791 41.1 155.2 64.0 34.2 21.6 13.0 14.8 85 114 A G > - 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0 0 46 0, 0.0 28,-0.1 0, 0.0 -2,-0.1 -0.144 64.1 -69.8 -66.0 164.0 16.3 12.0 -5.6 106 135 A A S S+ 0 0 3 26,-0.1 128,-0.6 127,-0.0 2,-0.3 -0.202 71.2 143.2 -50.1 138.0 13.2 10.1 -4.5 107 136 A A E - I 0 133B 1 26,-1.2 26,-2.8 126,-0.2 2,-0.7 -0.971 54.5-107.7-169.1 159.0 14.0 7.2 -2.2 108 137 A T E + I 0 132B 4 122,-0.4 24,-0.2 -2,-0.3 2,-0.2 -0.914 48.2 165.3 -96.5 108.4 12.8 5.2 0.8 109 138 A C E - I 0 131B 0 22,-2.5 22,-2.4 -2,-0.7 2,-0.3 -0.420 18.0-148.9-105.3-172.6 15.1 6.1 3.7 110 139 A W E -HI 74 130B 4 -36,-1.9 -36,-1.4 20,-0.3 2,-0.3 -0.939 3.3-134.7-153.0 173.2 14.6 5.5 7.5 111 140 A F E +HI 73 129B 0 18,-2.3 18,-2.3 -2,-0.3 -38,-0.2 -0.985 26.9 150.4-140.4 150.2 15.2 6.9 11.0 112 141 A H E -H 72 0B 0 -40,-1.9 -40,-2.9 -2,-0.3 16,-0.1 -0.972 45.1 -73.3-165.2 165.5 16.5 5.4 14.3 113 142 A P - 0 0 0 0, 0.0 -42,-0.2 0, 0.0 10,-0.1 -0.297 27.2-174.2 -69.9 157.8 18.4 6.2 17.5 114 143 A H + 0 0 0 -44,-0.2 5,-0.2 -29,-0.2 -43,-0.1 0.012 19.6 163.0-141.0 29.4 22.1 6.6 17.6 115 144 A Q >> - 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