==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-JUL-05 2AEO . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [CU-ZN]; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR V.CALDERONE,A.CASINI,S.MANGANI,L.MESSORI,P.L.ORIOLI . 302 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13946.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 67.2 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 . 107 35.4 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 . 3 1.0 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 . 27 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 1 3 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 65 0, 0.0 103,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 122.6 8.2 -11.8 16.9 2 2 A T + 0 0 92 148,-0.2 20,-3.1 1,-0.2 2,-0.4 0.594 360.0 43.4-105.1 -13.6 11.1 -12.4 19.3 3 3 A K E +A 21 0A 70 147,-0.4 147,-2.5 18,-0.2 2,-0.3 -0.995 60.7 175.8-131.8 140.1 12.8 -9.0 18.9 4 4 A A E -AB 20 149A 2 16,-2.1 16,-2.3 -2,-0.4 2,-0.3 -0.903 9.2-159.7-132.9 162.7 11.5 -5.5 18.8 5 5 A V E -AB 19 148A 1 143,-2.3 143,-3.0 -2,-0.3 2,-0.4 -0.990 2.3-164.6-143.5 149.6 13.1 -2.0 18.6 6 6 A C E -A 18 0A 1 12,-2.5 12,-2.5 -2,-0.3 2,-0.6 -0.993 8.2-155.5-134.9 130.8 12.0 1.5 19.4 7 7 A V E -A 17 0A 30 139,-0.5 2,-0.5 -2,-0.4 10,-0.2 -0.929 19.6-146.7-106.3 118.3 13.6 4.9 18.3 8 8 A L E +A 16 0A 0 8,-2.7 8,-1.1 -2,-0.6 2,-0.3 -0.750 27.2 160.5 -90.0 127.1 12.7 7.7 20.8 9 9 A K B +C 144 0A 113 135,-2.4 135,-2.1 -2,-0.5 2,-0.2 -0.987 3.4 158.6-142.0 148.2 12.2 11.2 19.4 10 10 A G - 0 0 34 4,-0.5 133,-0.2 2,-0.4 132,-0.1 -0.750 56.7 -77.0-146.4-163.9 10.5 14.3 20.7 11 11 A D S S+ 0 0 178 131,-0.3 132,-0.1 -2,-0.2 131,-0.1 0.609 109.1 46.3 -77.2 -19.1 10.5 18.1 20.3 12 12 A G S S- 0 0 49 130,-0.6 -2,-0.4 2,-0.1 23,-0.0 -0.206 108.4 -70.6-110.2-157.9 13.7 18.5 22.5 13 13 A P S S+ 0 0 98 0, 0.0 2,-0.3 0, 0.0 23,-0.1 0.554 87.2 116.4 -75.0 -11.7 17.2 17.0 22.8 14 14 A V + 0 0 8 128,-0.2 -4,-0.5 21,-0.2 2,-0.3 -0.451 36.3 148.9 -69.7 124.2 16.0 13.7 24.3 15 15 A Q E + D 0 34A 109 19,-1.7 19,-3.4 -2,-0.3 2,-0.3 -0.954 6.1 136.3-146.2 167.4 16.8 10.6 22.1 16 16 A G E -AD 8 33A 13 -8,-1.1 -8,-2.7 -2,-0.3 2,-0.4 -0.939 39.5-109.1 168.6 172.6 17.5 6.9 22.3 17 17 A T E -AD 7 32A 43 15,-1.4 15,-1.7 -2,-0.3 2,-0.4 -0.997 23.1-162.8-129.6 129.5 17.0 3.3 21.1 18 18 A I E -AD 6 31A 0 -12,-2.5 -12,-2.5 -2,-0.4 2,-0.4 -0.967 4.5-160.0-117.2 132.0 15.2 0.7 23.1 19 19 A H E -AD 5 30A 87 11,-3.1 11,-2.3 -2,-0.4 2,-0.4 -0.871 2.8-165.1-108.8 140.9 15.6 -3.1 22.3 20 20 A F E -AD 4 29A 3 -16,-2.3 -16,-2.1 -2,-0.4 2,-0.4 -0.984 7.7-178.1-123.8 136.0 13.1 -5.7 23.4 21 21 A E E -AD 3 28A 78 7,-2.0 7,-2.7 -2,-0.4 2,-0.7 -0.976 26.9-134.1-141.0 132.1 13.8 -9.4 23.3 22 22 A A E + D 0 27A 39 -20,-3.1 2,-0.4 -2,-0.4 5,-0.2 -0.713 35.8 172.9 -80.9 115.5 11.7 -12.5 24.2 23 23 A K E > - D 0 26A 106 3,-2.6 3,-2.2 -2,-0.7 2,-0.3 -0.992 57.7 -38.0-133.8 120.5 14.0 -14.6 26.3 24 24 A G T 3 S- 0 0 80 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.503 123.3 -30.1 60.9-123.2 12.6 -17.7 28.0 25 25 A D T 3 S+ 0 0 180 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.258 128.4 64.9-105.6 7.5 9.1 -16.8 29.2 26 26 A T E < S-D 23 0A 47 -3,-2.2 -3,-2.6 -5,-0.0 2,-0.5 -0.632 76.9-111.7-127.1 179.5 9.9 -13.1 29.7 27 27 A V E -DE 22 99A 6 72,-1.1 72,-2.2 -5,-0.2 2,-0.5 -0.976 21.4-155.0-120.9 125.1 10.8 -9.8 27.9 28 28 A V E -DE 21 98A 32 -7,-2.7 -7,-2.0 -2,-0.5 2,-0.5 -0.851 7.8-159.3-101.6 128.8 14.2 -8.2 28.4 29 29 A V E +DE 20 97A 0 68,-3.7 68,-2.6 -2,-0.5 2,-0.3 -0.941 21.3 158.0-114.7 118.7 14.4 -4.5 27.7 30 30 A T E +DE 19 96A 55 -11,-2.3 -11,-3.1 -2,-0.5 2,-0.3 -0.835 15.9 88.1-128.5 172.2 17.7 -2.8 27.0 31 31 A G E -DE 18 95A 20 64,-1.0 64,-3.0 -2,-0.3 2,-0.3 -0.900 56.0 -90.0 137.8-161.4 19.1 0.3 25.3 32 32 A S E -DE 17 94A 46 -15,-1.7 -15,-1.4 -2,-0.3 2,-0.4 -0.998 14.8-155.0-153.5 151.2 20.0 3.9 26.2 33 33 A I E -DE 16 93A 0 60,-2.3 60,-3.0 -2,-0.3 2,-0.3 -0.963 17.0-169.6-128.4 137.8 18.5 7.4 26.3 34 34 A T E +D 15 0A 48 -19,-3.4 -19,-1.7 -2,-0.4 58,-0.2 -0.815 59.2 44.9-125.9 166.4 20.5 10.6 26.0 35 35 A G S S+ 0 0 36 55,-0.4 -21,-0.2 -2,-0.3 57,-0.2 0.601 79.7 138.2 76.8 12.2 19.8 14.3 26.5 36 36 A L - 0 0 10 55,-2.2 2,-0.3 -3,-0.2 -1,-0.2 -0.410 59.5-106.6 -82.6 158.5 17.9 13.7 29.8 37 37 A T - 0 0 99 82,-0.1 50,-0.3 -2,-0.1 -1,-0.1 -0.661 52.7 -87.7 -78.0 146.6 18.1 15.7 33.0 38 38 A E S S+ 0 0 143 -2,-0.3 2,-0.2 51,-0.2 50,-0.2 -0.212 93.0 28.7 -51.2 138.3 19.9 13.9 35.8 39 39 A G E S-F 87 0A 25 48,-2.9 48,-3.2 -3,-0.1 2,-0.2 -0.660 99.9 -12.0 107.8-162.3 17.8 11.6 37.9 40 40 A D E -F 86 0A 61 46,-0.2 2,-0.4 -2,-0.2 46,-0.2 -0.465 46.6-177.4 -86.9 145.6 14.6 9.5 37.3 41 41 A H E -F 85 0A 0 44,-2.3 44,-2.5 -2,-0.2 78,-0.1 -0.993 34.0-108.6-139.5 130.7 12.2 9.7 34.4 42 42 A G E -F 84 0A 0 78,-2.5 76,-2.8 -2,-0.4 2,-0.4 -0.282 30.7-163.0 -56.7 142.1 9.0 7.7 34.0 43 43 A F E + G 0 117A 0 40,-2.7 39,-1.1 74,-0.2 2,-0.3 -0.947 22.1 159.9-137.3 105.7 9.3 5.0 31.3 44 44 A H E -FG 81 116A 0 72,-2.0 72,-2.4 -2,-0.4 2,-0.8 -0.966 44.0-124.1-139.2 145.0 6.0 3.6 30.1 45 45 A V E - G 0 115A 0 35,-2.1 17,-2.7 -2,-0.3 70,-0.2 -0.803 34.4-154.8 -85.2 114.2 4.3 1.7 27.2 46 46 A H E -HG 61 114A 1 68,-3.4 68,-2.3 -2,-0.8 15,-0.3 -0.621 19.9-115.6 -91.0 154.0 1.5 3.9 26.0 47 47 A Q S S+ 0 0 62 13,-3.0 2,-0.4 -2,-0.2 12,-0.2 0.825 86.5 56.7 -60.9 -47.4 -1.5 2.4 24.3 48 48 A F - 0 0 18 10,-3.1 2,-1.1 12,-0.2 254,-0.2 -0.725 61.4-146.6-101.8 137.2 -1.5 3.7 20.7 49 49 A G + 0 0 2 252,-2.3 2,-0.6 63,-0.6 251,-0.3 -0.378 63.3 129.5 -86.0 53.1 1.2 3.5 18.1 50 50 A D + 0 0 26 -2,-1.1 3,-0.3 7,-0.2 9,-0.1 -0.928 28.2 164.6-123.7 105.4 -0.1 6.9 17.0 51 51 A N > + 0 0 42 -2,-0.6 3,-1.4 1,-0.2 -1,-0.1 0.103 42.1 116.5-103.6 20.5 2.4 9.8 16.5 52 52 A T T 3 S+ 0 0 61 1,-0.3 -1,-0.2 5,-0.1 3,-0.1 0.827 91.3 28.4 -61.7 -32.0 -0.0 12.0 14.5 53 53 A Q T >> S- 0 0 138 1,-0.7 3,-1.1 -3,-0.3 4,-0.5 -0.456 122.7-104.0-116.7 58.0 0.1 14.6 17.2 54 54 A G G X4 S- 0 0 35 -3,-1.4 3,-0.9 1,-0.2 -1,-0.7 -0.177 82.7 -24.1 47.9-146.4 3.6 13.7 18.5 55 55 A a G >4 S+ 0 0 16 1,-0.2 3,-1.5 86,-0.2 -1,-0.2 0.682 128.4 74.7 -66.9 -22.2 3.6 11.7 21.7 56 56 A T G X4 S+ 0 0 100 -3,-1.1 3,-1.5 1,-0.3 -1,-0.2 0.849 87.7 60.1 -58.6 -41.3 0.1 13.0 22.9 57 57 A S G << S+ 0 0 16 -3,-0.9 -1,-0.3 -4,-0.5 -7,-0.2 0.487 81.1 85.4 -72.8 -0.8 -1.7 10.8 20.4 58 58 A A G < S- 0 0 0 -3,-1.5 -10,-3.1 1,-0.2 -1,-0.3 0.639 87.0-152.2 -70.0 -12.5 -0.1 7.7 22.0 59 59 A G < - 0 0 18 -3,-1.5 -1,-0.2 -12,-0.2 3,-0.1 -0.230 33.8 -30.4 70.8-160.7 -3.1 7.8 24.5 60 60 A P S S- 0 0 73 0, 0.0 -13,-3.0 0, 0.0 -12,-0.2 0.019 87.8 -57.4 -81.3-171.3 -2.9 6.5 28.1 61 61 A H B -H 46 0A 7 73,-0.3 2,-0.3 -15,-0.3 -15,-0.3 -0.453 61.9 -97.7 -66.1 140.5 -0.9 3.6 29.5 62 62 A F + 0 0 6 -17,-2.7 18,-2.2 52,-0.2 17,-0.4 -0.468 58.2 162.0 -55.1 118.0 -1.3 0.2 27.9 63 63 A N > + 0 0 42 -2,-0.3 3,-2.0 15,-0.2 -1,-0.1 -0.390 15.7 158.7-149.4 60.0 -3.8 -1.4 30.4 64 64 A P T 3 S+ 0 0 44 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 0.664 80.8 56.4 -69.0 -13.4 -5.7 -4.4 29.1 65 65 A L T 3 S- 0 0 73 2,-0.0 13,-0.0 0, 0.0 -2,-0.0 0.357 107.1-126.6 -97.1 5.9 -6.4 -5.6 32.7 66 66 A S < + 0 0 107 -3,-2.0 2,-0.2 1,-0.1 12,-0.1 0.893 57.0 147.0 55.1 46.0 -8.1 -2.3 33.6 67 67 A K - 0 0 51 10,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.448 49.3 -97.4-101.2 176.3 -6.0 -1.6 36.6 68 68 A K - 0 0 131 -2,-0.2 66,-0.2 1,-0.1 -1,-0.1 -0.561 51.5 -82.1 -90.0 159.7 -4.6 1.5 38.3 69 69 A H + 0 0 8 64,-2.6 2,-0.2 -2,-0.2 -1,-0.1 -0.342 62.6 145.9 -63.4 141.5 -1.2 2.9 37.8 70 70 A G - 0 0 1 64,-0.1 13,-0.3 8,-0.1 55,-0.3 -0.862 48.1 -72.4-151.4-173.2 1.7 1.3 39.8 71 71 A G > - 0 0 2 53,-0.7 3,-1.8 -2,-0.2 10,-0.1 -0.546 49.8-105.3 -82.8 165.1 5.4 0.4 39.8 72 72 A P T 3 S+ 0 0 41 0, 0.0 29,-0.1 0, 0.0 -1,-0.1 0.761 121.3 53.7 -67.5 -24.6 6.6 -2.6 37.8 73 73 A K T 3 S+ 0 0 203 3,-0.1 2,-0.1 26,-0.1 4,-0.1 0.537 93.4 98.8 -79.7 -7.5 7.0 -4.7 41.0 74 74 A D < - 0 0 43 -3,-1.8 3,-0.1 1,-0.1 -4,-0.1 -0.468 68.4-143.9 -87.1 150.6 3.3 -4.0 42.0 75 75 A E S S+ 0 0 152 1,-0.2 2,-1.1 -2,-0.1 -1,-0.1 0.906 98.7 59.9 -73.4 -46.5 0.3 -6.3 41.5 76 76 A E S S+ 0 0 92 -7,-0.1 2,-0.3 -9,-0.1 -5,-0.2 -0.769 84.4 111.5 -85.0 95.0 -1.9 -3.2 40.9 77 77 A R - 0 0 4 -2,-1.1 2,-0.2 -7,-0.1 -8,-0.2 -0.949 69.2-102.5-154.2 162.8 -0.1 -1.7 37.8 78 78 A H > - 0 0 12 -2,-0.3 3,-1.7 -8,-0.2 -15,-0.2 -0.621 35.3-115.9 -82.3 155.3 -0.8 -1.2 34.1 79 79 A V T 3 S+ 0 0 2 -17,-0.4 23,-0.2 1,-0.3 -16,-0.2 0.890 117.9 55.8 -57.7 -37.3 1.0 -3.6 31.7 80 80 A G T 3 S+ 0 0 0 -18,-2.2 -35,-2.1 -35,-0.2 2,-1.3 0.374 77.1 113.7 -78.4 6.4 2.9 -0.5 30.4 81 81 A D E < +F 44 0A 0 -3,-1.7 -37,-0.2 -37,-0.2 3,-0.1 -0.634 25.5 155.9 -87.3 89.2 4.2 0.4 33.8 82 82 A L E - 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