==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE, METAL BINDING PROTEIN 17-JUN-09 3HW7 . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [CU-ZN]; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR I.ASCONE,C.SAVINO . 302 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13727.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 106 35.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 2 0.7 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 . 32 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 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 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 2 0 2 4 2 2 0 2 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 0 0 0 0 0 0 0 0 2 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 1 A A 0 0 49 0, 0.0 103,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 171.5 -4.9 29.7 57.6 2 2 A T + 0 0 98 1,-0.3 20,-2.5 148,-0.3 2,-0.3 0.574 360.0 29.1-112.1 -23.2 -7.9 28.6 59.7 3 3 A K E +A 21 0A 71 147,-0.4 147,-2.3 18,-0.2 -1,-0.3 -0.991 67.2 176.6-138.3 147.7 -6.3 25.2 60.4 4 4 A A E -AB 20 149A 0 16,-2.4 16,-2.5 -2,-0.3 2,-0.3 -0.905 8.9-159.1-145.5 168.3 -2.8 24.0 60.8 5 5 A V E -AB 19 148A 0 143,-2.3 143,-3.1 -2,-0.3 2,-0.4 -0.989 1.9-165.1-151.4 153.7 -0.9 20.8 61.7 6 6 A C E -A 18 0A 2 12,-2.5 12,-2.5 -2,-0.3 2,-0.6 -0.996 10.1-152.9-143.3 135.3 2.5 19.9 62.9 7 7 A V E -A 17 0A 23 139,-0.5 2,-0.5 -2,-0.4 10,-0.2 -0.938 19.3-148.1-108.4 115.5 4.2 16.5 63.0 8 8 A L E +A 16 0A 0 8,-2.2 8,-1.9 -2,-0.6 2,-0.3 -0.697 26.8 163.3 -85.5 124.9 6.8 16.3 65.8 9 9 A K B +C 144 0A 101 135,-2.4 135,-2.6 -2,-0.5 2,-0.2 -0.961 2.1 156.4-135.7 154.2 9.9 14.2 65.1 10 10 A G - 0 0 32 4,-0.4 133,-0.2 2,-0.3 132,-0.1 -0.805 55.6 -77.7-155.5-162.5 13.3 13.9 66.7 11 11 A D S S+ 0 0 172 131,-0.3 132,-0.1 -2,-0.2 131,-0.1 0.434 105.5 44.5 -95.2 3.2 16.2 11.6 67.2 12 12 A G S S- 0 0 51 130,-0.6 -2,-0.3 2,-0.2 130,-0.0 -0.289 108.9 -64.3-123.3-152.7 14.6 9.5 69.9 13 13 A P S S+ 0 0 100 0, 0.0 2,-0.2 0, 0.0 23,-0.1 0.686 94.0 105.5 -74.1 -19.0 11.3 7.8 70.7 14 14 A V + 0 0 8 21,-0.2 -4,-0.4 128,-0.2 2,-0.3 -0.427 37.9 143.4 -74.9 131.3 9.3 11.0 71.0 15 15 A Q E + D 0 34A 112 19,-1.8 19,-3.2 -2,-0.2 2,-0.3 -0.962 14.8 168.3-152.8 166.5 6.9 11.9 68.2 16 16 A G E -AD 8 33A 9 -8,-1.9 -8,-2.2 -2,-0.3 2,-0.4 -0.989 30.3-128.6-169.5 166.3 3.5 13.6 67.9 17 17 A T E -AD 7 32A 46 15,-2.2 15,-1.9 -2,-0.3 2,-0.4 -0.986 26.0-173.0-129.3 122.4 0.8 15.1 65.8 18 18 A I E -AD 6 31A 0 -12,-2.5 -12,-2.5 -2,-0.4 2,-0.3 -0.939 4.1-162.5-117.2 135.7 -0.5 18.5 66.8 19 19 A H E -AD 5 30A 68 11,-3.5 11,-2.4 -2,-0.4 2,-0.4 -0.859 1.8-160.5-118.7 153.3 -3.5 20.3 65.2 20 20 A F E -AD 4 29A 1 -16,-2.5 -16,-2.4 -2,-0.3 2,-0.4 -0.995 6.7-175.8-136.6 133.5 -4.4 23.9 65.4 21 21 A E E -AD 3 28A 89 7,-2.2 7,-3.3 -2,-0.4 2,-0.4 -0.979 25.4-130.5-134.6 125.7 -7.7 25.6 64.8 22 22 A A E + D 0 27A 38 -20,-2.5 2,-0.4 -2,-0.4 5,-0.2 -0.578 34.0 174.9 -64.5 123.2 -8.5 29.3 64.8 23 23 A K E > - D 0 26A 133 3,-2.7 3,-2.1 -2,-0.4 2,-0.1 -0.939 58.0 -46.4-139.0 114.7 -11.5 29.7 66.9 24 24 A G T 3 S- 0 0 85 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.445 122.8 -26.8 57.7-127.2 -12.8 33.2 67.7 25 25 A D T 3 S+ 0 0 141 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.076 128.7 76.6-102.1 24.2 -9.7 35.1 68.7 26 26 A T E < S-D 23 0A 29 -3,-2.1 -3,-2.7 -5,-0.0 2,-0.5 -0.783 72.8-126.3-121.5 169.7 -7.9 32.0 69.9 27 27 A V E -DE 22 99A 2 72,-2.7 72,-2.4 -2,-0.3 2,-0.6 -0.989 19.3-147.9-115.4 127.5 -6.0 29.0 68.6 28 28 A V E -DE 21 98A 25 -7,-3.3 -7,-2.2 -2,-0.5 2,-0.6 -0.831 13.7-163.7 -91.2 122.1 -7.2 25.6 69.8 29 29 A V E +DE 20 97A 0 68,-3.2 68,-3.0 -2,-0.6 2,-0.3 -0.949 18.5 161.4-111.4 120.4 -4.2 23.2 69.9 30 30 A T E +DE 19 96A 52 -11,-2.4 -11,-3.5 -2,-0.6 2,-0.3 -0.874 18.8 83.7-130.4 168.2 -5.1 19.5 70.1 31 31 A G E -DE 18 95A 22 64,-1.2 64,-2.5 -2,-0.3 2,-0.3 -0.951 59.0 -88.9 141.6-162.1 -3.2 16.3 69.4 32 32 A S E -DE 17 94A 41 -15,-1.9 -15,-2.2 -2,-0.3 2,-0.4 -0.994 12.1-154.3-151.0 157.3 -0.9 13.9 71.2 33 33 A I E -DE 16 93A 0 60,-1.9 60,-3.0 -2,-0.3 2,-0.3 -0.987 22.3-166.2-126.7 133.3 2.8 13.3 71.7 34 34 A T E +D 15 0A 50 -19,-3.2 -19,-1.8 -2,-0.4 58,-0.2 -0.836 59.0 44.7-119.9 159.9 3.9 9.7 72.5 35 35 A G S S+ 0 0 34 55,-0.4 -21,-0.2 -2,-0.3 2,-0.2 0.618 78.1 138.2 87.9 14.3 7.1 8.2 73.8 36 36 A L - 0 0 9 55,-2.4 -1,-0.3 -3,-0.2 2,-0.2 -0.534 59.4-108.1 -88.3 155.7 7.5 10.7 76.6 37 37 A T - 0 0 100 -2,-0.2 50,-0.4 82,-0.1 -1,-0.1 -0.510 54.1 -86.9 -74.0 153.4 8.6 10.1 80.2 38 38 A E S S+ 0 0 113 -2,-0.2 50,-0.2 51,-0.2 2,-0.2 -0.313 92.8 37.9 -67.1 147.7 5.7 10.5 82.6 39 39 A G E S-F 87 0A 25 48,-2.7 48,-2.6 -3,-0.1 2,-0.1 -0.606 98.3 -18.8 109.9-171.8 5.1 14.0 83.8 40 40 A D E -F 86 0A 63 46,-0.2 2,-0.3 -2,-0.2 46,-0.2 -0.361 48.4-171.1 -77.9 147.2 5.3 17.5 82.4 41 41 A H E -F 85 0A 2 44,-2.1 44,-2.5 -2,-0.1 78,-0.1 -0.978 30.1-110.3-141.2 127.6 7.2 18.5 79.3 42 42 A G E -F 84 0A 0 78,-2.7 76,-2.7 -2,-0.3 2,-0.3 -0.237 35.2-170.5 -56.0 142.1 7.8 22.0 78.0 43 43 A F E + G 0 117A 0 40,-1.9 39,-1.2 74,-0.2 2,-0.3 -0.930 16.2 150.5-146.2 109.0 5.8 22.8 74.8 44 44 A H E -FG 81 116A 0 72,-2.0 72,-2.6 -2,-0.3 2,-0.5 -0.982 46.6-115.9-143.9 151.8 6.4 26.0 72.7 45 45 A V E - G 0 115A 0 35,-1.9 17,-3.0 -2,-0.3 2,-0.3 -0.781 38.3-152.7 -78.0 127.9 6.3 27.5 69.3 46 46 A H E -HG 61 114A 0 68,-3.4 68,-1.8 -2,-0.5 15,-0.3 -0.712 21.3-109.4-104.0 158.2 9.8 28.4 68.3 47 47 A Q S S+ 0 0 67 13,-2.6 2,-0.4 -2,-0.3 12,-0.2 0.830 90.7 49.5 -58.3 -47.9 10.7 31.2 66.0 48 48 A F - 0 0 23 10,-3.2 2,-1.1 12,-0.2 254,-0.2 -0.801 59.7-147.3-106.4 141.4 11.9 29.4 62.8 49 49 A G + 0 0 1 252,-1.8 2,-0.6 63,-0.6 251,-0.4 -0.435 60.7 133.2 -88.3 56.0 10.5 26.6 60.8 50 50 A D + 0 0 23 -2,-1.1 3,-0.3 7,-0.2 9,-0.1 -0.935 25.8 164.8-120.9 107.3 14.0 25.6 60.1 51 51 A N > + 0 0 38 -2,-0.6 3,-1.5 1,-0.2 -1,-0.1 0.104 43.6 112.2-105.7 17.0 14.9 21.9 60.5 52 52 A T T 3 S+ 0 0 58 1,-0.3 -1,-0.2 5,-0.1 3,-0.1 0.831 92.9 30.6 -62.5 -29.7 18.3 21.9 58.7 53 53 A Q T > S- 0 0 146 1,-0.5 3,-1.0 -3,-0.3 4,-0.5 -0.344 120.0-106.9-118.2 48.0 20.0 21.2 62.1 54 54 A G G X S- 0 0 27 -3,-1.5 3,-0.7 1,-0.2 -1,-0.5 -0.264 80.2 -24.8 58.5-146.3 17.2 19.2 63.7 55 55 A a G > S+ 0 0 15 1,-0.2 3,-1.3 86,-0.2 -1,-0.2 0.720 129.2 74.1 -76.2 -18.6 15.2 21.0 66.4 56 56 A T G X S+ 0 0 100 -3,-1.0 3,-1.8 1,-0.2 -1,-0.2 0.896 87.5 60.0 -58.7 -42.8 18.2 23.3 67.2 57 57 A S G < S+ 0 0 19 -3,-0.7 -1,-0.2 -4,-0.5 -7,-0.2 0.543 81.6 84.3 -70.8 -4.4 17.6 25.4 64.1 58 58 A A G < S- 0 0 0 -3,-1.3 -10,-3.2 1,-0.2 -1,-0.3 0.691 88.3-153.3 -63.3 -18.8 14.1 26.3 65.3 59 59 A G < - 0 0 15 -3,-1.8 -1,-0.2 -4,-0.2 3,-0.1 -0.354 35.8 -23.6 76.8-162.1 15.8 29.1 67.3 60 60 A P S S- 0 0 71 0, 0.0 -13,-2.6 0, 0.0 -12,-0.2 -0.070 89.4 -64.3 -72.5 173.0 14.3 30.6 70.5 61 61 A H B S-H 46 0A 7 73,-0.3 -15,-0.3 -15,-0.3 2,-0.3 -0.427 70.5 -90.3 -55.8 140.6 10.7 30.6 71.7 62 62 A F + 0 0 5 -17,-3.0 18,-2.4 52,-0.2 17,-0.4 -0.416 61.7 165.8 -59.5 118.6 8.7 32.7 69.2 63 63 A N > + 0 0 46 -2,-0.3 3,-1.4 15,-0.2 -1,-0.1 -0.472 16.3 155.1-143.3 60.7 8.9 36.1 70.8 64 64 A P T 3 S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 0.704 80.1 54.5 -70.3 -14.9 7.8 39.0 68.5 65 65 A L T 3 S- 0 0 69 12,-0.1 -2,-0.0 -3,-0.1 13,-0.0 0.381 106.3-125.4 -96.5 2.5 7.0 41.2 71.6 66 66 A S < + 0 0 106 -3,-1.4 2,-0.2 1,-0.2 12,-0.1 0.910 56.4 150.5 55.7 51.2 10.4 40.8 73.2 67 67 A K - 0 0 64 10,-0.1 -1,-0.2 1,-0.1 2,-0.1 -0.578 49.4 -98.7-105.8 168.8 9.1 39.6 76.5 68 68 A K - 0 0 124 -2,-0.2 66,-0.2 1,-0.1 2,-0.1 -0.427 53.2 -83.7 -77.6 162.6 10.5 37.3 79.2 69 69 A H + 0 0 7 64,-3.0 2,-0.2 8,-0.2 -1,-0.1 -0.440 61.3 152.6 -66.8 138.9 9.5 33.6 79.3 70 70 A G - 0 0 1 -2,-0.1 13,-0.3 64,-0.1 55,-0.3 -0.819 44.6 -81.5-145.6-170.3 6.3 32.8 81.1 71 71 A G > - 0 0 1 53,-0.6 3,-1.5 -2,-0.2 10,-0.1 -0.570 49.6-101.1 -91.5 166.2 3.4 30.3 81.3 72 72 A P T 3 S+ 0 0 38 0, 0.0 29,-0.1 0, 0.0 5,-0.1 0.748 122.7 52.3 -62.5 -23.6 0.5 30.6 78.9 73 73 A K T 3 S+ 0 0 206 3,-0.1 2,-0.1 26,-0.1 4,-0.1 0.582 92.6 98.0 -88.8 -6.8 -1.7 32.2 81.5 74 74 A D < - 0 0 39 -3,-1.5 -4,-0.1 1,-0.1 3,-0.1 -0.451 68.3-142.9 -82.2 152.0 0.9 34.9 82.3 75 75 A E S S+ 0 0 177 1,-0.2 2,-1.1 -2,-0.1 -1,-0.1 0.824 98.4 62.0 -77.4 -34.6 0.9 38.5 80.9 76 76 A E S S+ 0 0 85 -7,-0.1 2,-0.3 -9,-0.1 -5,-0.2 -0.801 83.5 116.1 -95.5 99.3 4.7 38.3 80.6 77 77 A R - 0 0 7 -2,-1.1 2,-0.2 -7,-0.1 -8,-0.2 -0.982 68.1-100.4-157.3 154.2 5.2 35.5 78.2 78 78 A H > - 0 0 13 -2,-0.3 3,-1.7 -8,-0.2 -15,-0.2 -0.582 38.0-118.2 -70.6 149.0 6.6 34.7 74.8 79 79 A V T 3 S+ 0 0 1 -17,-0.4 23,-0.3 1,-0.3 -16,-0.2 0.924 117.0 52.9 -51.4 -44.5 3.8 34.4 72.1 80 80 A G T 3 S+ 0 0 0 -18,-2.4 -35,-1.9 -35,-0.2 2,-1.2 0.462 77.4 118.9 -69.5 -0.8 5.0 30.7 71.7 81 81 A D E < +F 44 0A 0 -3,-1.7 -37,-0.2 -19,-0.2 20,-0.1 -0.519 23.5 157.2 -78.3 94.8 4.7 29.9 75.4 82 82 A L E - 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