==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-SEP-12 4GXF . COMPND 2 MOLECULE: PUTATIVE COPPER OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR I.NEDERLOF,A.GUPTA,G.W.CANTERS . 837 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28952.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 538 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 192 22.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 93 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.1 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 3 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 RESIDUES PER ALPHA HELIX . 0 0 0 6 0 0 0 6 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 . 12 12 3 6 0 6 6 0 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 . 6 0 6 3 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 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 38 A T 0 0 163 0, 0.0 2,-0.2 0, 0.0 665,-0.1 0.000 360.0 360.0 360.0 -34.4 -19.4 28.8 -21.5 2 39 A A - 0 0 33 663,-1.1 2,-0.1 1,-0.1 0, 0.0 -0.518 360.0-111.3 -76.9 133.2 -19.4 31.2 -24.5 3 40 A R - 0 0 145 146,-0.3 146,-3.3 -2,-0.2 2,-0.3 -0.417 36.0-155.5 -66.2 136.8 -19.1 29.7 -28.0 4 41 A T B -A 148 0A 87 144,-0.2 144,-0.2 -2,-0.1 143,-0.1 -0.859 17.0-107.7-122.9 141.9 -15.8 30.4 -29.7 5 42 A A - 0 0 3 142,-2.3 141,-2.0 -2,-0.3 2,-0.1 -0.401 33.6-137.2 -65.8 141.9 -14.7 30.6 -33.4 6 43 A P - 0 0 76 0, 0.0 2,-0.2 0, 0.0 141,-0.1 -0.358 29.5 -84.6 -86.6 178.7 -12.5 27.7 -34.8 7 44 A A - 0 0 50 138,-0.1 2,-0.2 -2,-0.1 40,-0.1 -0.555 54.2-134.2 -76.0 145.3 -9.4 28.0 -37.0 8 45 A G + 0 0 17 38,-1.2 39,-0.1 -2,-0.2 38,-0.1 -0.372 54.6 104.6 -88.5-175.1 -9.7 28.2 -40.8 9 46 A G + 0 0 51 36,-0.2 2,-0.2 -2,-0.2 39,-0.1 0.320 32.4 141.3-125.9 130.3 -9.0 27.6 -43.5 10 47 A E - 0 0 119 35,-0.1 39,-2.2 39,-0.1 2,-0.5 -0.643 52.7-115.6 -93.6 156.2 -11.3 25.3 -45.5 11 48 A V E -b 49 0B 77 -2,-0.2 2,-0.4 37,-0.2 39,-0.2 -0.903 39.4-167.4 -90.6 126.5 -12.0 25.9 -49.2 12 49 A R E -b 50 0B 72 37,-2.6 39,-2.9 -2,-0.5 2,-0.3 -0.929 10.0-156.9-121.1 142.2 -15.7 26.8 -49.4 13 50 A H E +b 51 0B 144 -2,-0.4 2,-0.3 37,-0.2 39,-0.2 -0.848 17.6 168.2-117.8 155.9 -17.9 27.0 -52.6 14 51 A L E -b 52 0B 46 37,-1.6 39,-3.1 -2,-0.3 2,-0.3 -0.965 27.5-133.3-168.1 140.4 -21.0 29.0 -52.9 15 52 A K E -b 53 0B 103 -2,-0.3 2,-0.3 37,-0.2 39,-0.2 -0.814 25.1-179.1-100.9 148.0 -23.5 30.2 -55.5 16 53 A M E -b 54 0B 0 37,-2.7 39,-2.3 -2,-0.3 2,-0.3 -0.995 5.5-164.3-147.2 144.1 -24.7 33.8 -55.6 17 54 A Y E -bC 55 29B 33 12,-2.4 12,-1.4 -2,-0.3 2,-0.5 -0.910 14.6-145.5-127.4 154.3 -27.1 35.7 -57.9 18 55 A A E +bC 56 28B 0 37,-1.9 39,-1.9 -2,-0.3 2,-0.4 -0.993 27.7 178.9-116.4 128.0 -28.0 39.3 -58.7 19 56 A E E - C 0 27B 28 8,-2.6 8,-2.4 -2,-0.5 2,-0.4 -0.974 30.3-130.2-130.2 140.8 -31.7 39.8 -59.5 20 57 A K E - C 0 26B 96 -2,-0.4 6,-0.3 6,-0.2 2,-0.2 -0.783 36.7-136.2 -84.4 134.9 -33.8 42.8 -60.4 21 58 A L > - 0 0 50 4,-3.5 3,-2.4 -2,-0.4 -1,-0.0 -0.623 17.8-108.0 -99.1 155.2 -36.8 42.8 -58.1 22 59 A A T 3 S+ 0 0 118 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.789 116.5 53.5 -48.7 -38.4 -40.5 43.4 -59.0 23 60 A D T 3 S- 0 0 113 1,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.495 125.8 -94.4 -79.9 -6.3 -40.5 46.9 -57.2 24 61 A G S < S+ 0 0 44 -3,-2.4 -2,-0.1 1,-0.4 -1,-0.1 0.253 88.3 117.7 113.3 -11.7 -37.5 48.2 -59.1 25 62 A Q - 0 0 50 -5,-0.1 -4,-3.5 110,-0.1 -1,-0.4 -0.194 54.4-134.9 -82.5 177.2 -34.8 47.3 -56.6 26 63 A M E +C 20 0B 11 108,-1.9 2,-0.3 -6,-0.3 -6,-0.2 -0.993 25.2 175.5-135.6 141.0 -31.9 44.9 -57.0 27 64 A G E -C 19 0B 0 -8,-2.4 -8,-2.6 -2,-0.4 2,-0.3 -0.983 26.3-127.6-148.2 155.7 -30.7 42.3 -54.6 28 65 A Y E +CD 18 36B 0 8,-0.9 8,-2.9 107,-0.4 2,-0.3 -0.694 30.7 172.9 -94.6 156.4 -28.2 39.5 -54.1 29 66 A G E -C 17 0B 0 -12,-1.4 -12,-2.4 6,-0.3 6,-0.2 -0.971 42.3-131.1-156.1 159.7 -29.3 36.0 -53.0 30 67 A F S S+ 0 0 80 4,-0.4 2,-0.4 -2,-0.3 -15,-0.2 0.606 101.1 37.8 -85.0 -17.6 -27.9 32.5 -52.4 31 68 A E S > S- 0 0 119 3,-0.1 3,-2.4 -14,-0.1 2,-0.3 -0.998 95.5-103.0-137.6 140.6 -30.8 31.1 -54.4 32 69 A K T 3 S+ 0 0 140 -2,-0.4 -4,-0.0 1,-0.3 -2,-0.0 -0.423 111.8 23.0 -64.7 120.2 -32.6 32.4 -57.5 33 70 A G T 3 S+ 0 0 60 -2,-0.3 -1,-0.3 -4,-0.0 -14,-0.0 0.375 108.8 82.0 101.5 -1.7 -35.9 33.9 -56.4 34 71 A K < + 0 0 149 -3,-2.4 -4,-0.4 -7,-0.1 -3,-0.1 -0.071 55.1 145.9-125.4 34.2 -34.6 34.5 -52.9 35 72 A A - 0 0 23 -6,-0.2 2,-0.3 -8,-0.1 -6,-0.3 -0.424 26.0-170.4 -68.7 144.9 -32.7 37.8 -53.2 36 73 A S B -D 28 0B 50 -8,-2.9 -8,-0.9 -2,-0.1 -2,-0.1 -0.942 24.1-107.5-136.6 158.3 -32.8 40.1 -50.2 37 74 A V S S+ 0 0 33 -2,-0.3 2,-0.2 -10,-0.2 101,-0.1 -0.952 114.8 35.1-126.9 111.7 -31.8 43.6 -49.3 38 75 A P S S- 0 0 17 0, 0.0 100,-0.2 0, 0.0 3,-0.1 0.517 111.3-121.8 -65.8 160.3 -29.4 43.5 -47.5 39 76 A G - 0 0 5 98,-3.2 -10,-0.1 96,-0.2 -2,-0.1 -0.107 45.1 -68.9 -61.5 168.5 -27.9 40.5 -49.3 40 77 A P - 0 0 23 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.302 55.5-104.0 -65.5 149.3 -27.3 37.4 -47.3 41 78 A L - 0 0 56 -3,-0.1 2,-0.5 97,-0.1 99,-0.2 -0.539 27.6-155.2 -70.4 132.6 -24.5 37.4 -44.6 42 79 A I E -g 140 0C 5 97,-1.9 99,-2.8 -2,-0.3 2,-0.4 -0.976 14.9-177.9-108.0 123.7 -21.3 35.7 -45.6 43 80 A E E +g 141 0C 79 -2,-0.5 2,-0.3 97,-0.2 99,-0.2 -0.991 8.8 160.6-125.0 123.6 -19.3 34.5 -42.5 44 81 A V E -g 142 0C 5 97,-2.4 99,-2.5 -2,-0.4 2,-0.3 -0.844 34.6-115.6-131.6 168.5 -15.9 32.7 -42.8 45 82 A N E > -g 143 0C 22 -2,-0.3 3,-2.4 97,-0.2 -36,-0.2 -0.828 48.1 -82.9-104.8 150.4 -12.9 32.1 -40.4 46 83 A E T 3 S+ 0 0 4 97,-2.4 -38,-1.2 -2,-0.3 53,-0.2 -0.246 118.5 29.5 -53.1 126.7 -9.4 33.5 -41.0 47 84 A G T 3 S+ 0 0 27 1,-0.4 -1,-0.3 -39,-0.1 50,-0.1 0.018 90.6 125.8 111.2 -25.4 -7.6 31.4 -43.5 48 85 A D < - 0 0 3 -3,-2.4 49,-1.0 -39,-0.1 -1,-0.4 -0.227 49.7-145.0 -61.8 152.1 -10.6 30.2 -45.4 49 86 A T E -bE 11 96B 24 -39,-2.2 -37,-2.6 47,-0.2 2,-0.5 -0.944 10.3-158.6-115.9 144.2 -11.0 30.6 -49.1 50 87 A L E -bE 12 95B 5 45,-3.0 45,-2.8 -2,-0.4 2,-0.7 -0.985 6.7-166.5-128.0 121.4 -14.3 31.3 -50.7 51 88 A H E -bE 13 94B 43 -39,-2.9 -37,-1.6 -2,-0.5 2,-0.7 -0.927 12.2-164.8-108.0 110.7 -15.1 30.6 -54.3 52 89 A I E -bE 14 93B 0 41,-3.1 41,-2.6 -2,-0.7 2,-1.1 -0.849 11.8-153.4-102.2 112.9 -18.3 32.4 -55.3 53 90 A E E -bE 15 92B 85 -39,-3.1 -37,-2.7 -2,-0.7 2,-0.5 -0.752 25.9-167.6 -82.2 104.6 -20.0 31.3 -58.5 54 91 A F E -bE 16 91B 0 37,-3.0 37,-2.9 -2,-1.1 2,-0.5 -0.861 11.8-167.1-105.4 128.9 -21.8 34.5 -59.3 55 92 A T E -bE 17 90B 22 -39,-2.3 -37,-1.9 -2,-0.5 2,-0.8 -0.951 12.9-148.3-116.5 126.9 -24.5 34.8 -61.9 56 93 A N E +b 18 0B 0 33,-2.3 32,-1.6 -2,-0.5 -37,-0.1 -0.841 19.3 174.3 -92.3 107.1 -25.9 38.1 -63.2 57 94 A T + 0 0 57 -39,-1.9 -37,-0.2 -2,-0.8 -1,-0.1 0.269 47.4 101.2 -95.7 10.4 -29.5 37.5 -64.1 58 95 A M S S- 0 0 8 2,-0.3 30,-0.6 -40,-0.1 4,-0.1 -0.437 81.3-118.1 -96.6 168.2 -30.2 41.2 -64.9 59 96 A D S S+ 0 0 114 28,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.528 96.1 58.7 -77.0 -9.4 -30.4 43.1 -68.3 60 97 A V S S- 0 0 54 26,-0.1 -2,-0.3 1,-0.1 28,-0.2 -0.780 97.5 -88.2-119.5 162.6 -27.4 45.3 -67.3 61 98 A R + 0 0 108 -2,-0.3 2,-0.3 61,-0.1 25,-0.2 -0.389 52.8 170.0 -65.7 147.4 -23.8 44.6 -66.4 62 99 A A B -J 85 0D 0 23,-1.7 23,-2.8 -4,-0.1 2,-0.3 -0.967 12.2-166.6-153.2 165.5 -23.2 44.0 -62.7 63 100 A S - 0 0 0 -2,-0.3 2,-0.5 21,-0.2 59,-0.1 -0.902 23.5-121.9-147.0 175.8 -20.5 42.8 -60.3 64 101 A L + 0 0 0 19,-0.3 2,-0.4 -2,-0.3 56,-0.2 -0.986 32.2 176.5-125.4 116.9 -19.6 41.6 -56.9 65 102 A H E -H 119 0C 1 54,-2.5 54,-2.9 -2,-0.5 2,-0.3 -0.944 9.5-159.5-119.8 142.5 -17.0 43.7 -55.1 66 103 A V E -H 118 0C 1 -2,-0.4 2,-0.3 52,-0.2 52,-0.2 -0.928 9.3-138.1-126.3 148.2 -15.7 43.1 -51.5 67 104 A H S S+ 0 0 0 50,-2.8 2,-2.1 -2,-0.3 412,-0.1 -0.681 78.3 1.9 -95.2 153.8 -14.0 45.1 -48.7 68 105 A G S S+ 0 0 2 -2,-0.3 -1,-0.1 413,-0.3 47,-0.0 -0.180 97.4 104.7 77.0 -49.5 -11.2 43.8 -46.4 69 106 A L S S- 0 0 2 -2,-2.1 2,-0.4 1,-0.1 28,-0.2 -0.255 77.6-101.1 -73.8 155.4 -10.7 40.3 -47.8 70 107 A D B +F 96 0B 7 26,-2.1 26,-3.5 -3,-0.1 2,-0.3 -0.632 52.2 156.3 -73.5 124.6 -7.8 39.2 -50.0 71 108 A F - 0 0 2 -2,-0.4 24,-0.1 24,-0.2 2,-0.1 -0.978 39.6-118.6-145.8 146.3 -8.7 39.0 -53.7 72 109 A E > - 0 0 104 22,-0.4 3,-2.4 -2,-0.3 451,-0.1 -0.367 41.0 -98.4 -75.7 165.4 -6.5 39.2 -56.9 73 110 A I G > S+ 0 0 12 449,-0.5 3,-1.5 451,-0.5 4,-0.3 0.828 122.4 65.6 -55.5 -32.2 -7.2 42.0 -59.4 74 111 A S G 3 S+ 0 0 59 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.608 105.5 45.4 -67.1 -11.4 -9.3 39.6 -61.5 75 112 A S G < S+ 0 0 8 -3,-2.4 -1,-0.3 1,-0.1 -9,-0.2 0.176 78.7 96.0-117.6 15.7 -11.8 39.4 -58.6 76 113 A D S < S- 0 0 0 -3,-1.5 -2,-0.1 -4,-0.1 -1,-0.1 0.662 83.4-135.9 -78.3 -12.3 -12.2 43.1 -57.6 77 114 A G + 0 0 0 -4,-0.3 44,-0.3 1,-0.2 2,-0.3 0.885 51.3 140.4 64.4 44.8 -15.3 43.2 -59.8 78 115 A T > - 0 0 0 6,-0.1 5,-2.3 1,-0.1 6,-0.5 -0.861 59.3-124.7-116.2 154.0 -14.7 46.6 -61.5 79 116 A A T > 5S+ 0 0 28 42,-0.3 3,-2.2 -2,-0.3 5,-0.1 0.903 105.8 64.1 -60.4 -43.9 -15.4 47.6 -65.1 80 117 A M T 3 5S+ 0 0 56 1,-0.3 -1,-0.2 46,-0.2 46,-0.0 0.820 108.9 38.8 -50.7 -42.1 -11.8 48.8 -65.7 81 118 A N T 3 5S- 0 0 19 -3,-0.4 -1,-0.3 -8,-0.1 -2,-0.2 0.359 111.3-118.3 -88.3 3.3 -10.3 45.2 -65.1 82 119 A K T < 5S+ 0 0 154 -3,-2.2 -3,-0.2 -4,-0.2 -2,-0.1 0.941 75.7 134.8 48.8 51.5 -13.3 43.6 -67.0 83 120 A S < + 0 0 0 -5,-2.3 -19,-0.3 2,-0.1 -4,-0.2 0.358 42.0 87.5-110.0 -3.2 -13.9 41.9 -63.7 84 121 A D S S- 0 0 7 -6,-0.5 2,-0.4 -21,-0.1 -21,-0.2 -0.215 80.2-106.2 -85.3-175.1 -17.7 42.6 -63.8 85 122 A V B -J 62 0D 0 -23,-2.8 -23,-1.7 -8,-0.1 3,-0.1 -0.958 18.4-124.1-129.5 131.8 -20.3 40.3 -65.4 86 123 A E > - 0 0 100 -2,-0.4 3,-2.4 -25,-0.2 -30,-0.3 -0.251 51.4 -78.6 -63.1 154.5 -22.3 40.6 -68.7 87 124 A P T 3 S+ 0 0 60 0, 0.0 -30,-0.2 0, 0.0 -28,-0.1 -0.319 123.5 11.2 -51.9 136.8 -26.1 40.3 -68.5 88 125 A G T 3 S+ 0 0 60 -32,-1.6 -31,-0.1 -30,-0.6 -2,-0.1 0.289 107.3 130.3 73.7 -10.8 -27.0 36.6 -68.1 89 126 A G < - 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