==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE, METAL BINDING PROTEIN 16-JUL-03 1Q0E . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [CU-ZN]; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.A.HOUGH,S.S.HASNAIN . 302 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14512.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 65.9 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 . 24 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 2.6 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 71 0, 0.0 103,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 135.8 29.0 -4.3 58.3 2 2 A T + 0 0 95 148,-0.2 20,-2.6 1,-0.2 2,-0.3 0.599 360.0 42.5-110.5 -11.9 31.4 -2.9 60.9 3 3 A K E +A 21 0A 78 147,-0.4 147,-2.1 18,-0.2 2,-0.3 -0.984 60.4 171.9-137.9 142.8 29.7 0.5 61.4 4 4 A A E -AB 20 149A 3 16,-2.2 16,-2.4 -2,-0.3 2,-0.3 -0.918 9.7-161.5-143.1 166.1 26.0 1.6 61.8 5 5 A V E -AB 19 148A 2 143,-2.2 143,-2.8 -2,-0.3 2,-0.3 -0.991 1.9-164.7-149.7 153.4 24.1 4.7 62.6 6 6 A C E -A 18 0A 2 12,-2.3 12,-2.9 -2,-0.3 2,-0.5 -0.976 9.1-153.4-146.8 131.5 20.6 5.7 63.8 7 7 A V E -A 17 0A 27 139,-0.4 2,-0.5 -2,-0.3 10,-0.2 -0.927 19.1-147.6-104.7 115.6 18.8 9.1 63.9 8 8 A L E +A 16 0A 0 8,-2.6 8,-1.7 -2,-0.5 2,-0.3 -0.784 24.7 166.2 -87.6 129.8 16.1 9.3 66.6 9 9 A K B +C 144 0A 119 135,-2.4 135,-2.4 -2,-0.5 2,-0.3 -0.944 3.1 165.5-139.2 155.7 13.0 11.4 65.9 10 10 A G - 0 0 35 4,-0.4 133,-0.2 2,-0.3 132,-0.1 -0.887 50.5 -90.6-152.6-172.7 9.6 11.7 67.6 11 11 A D S S+ 0 0 182 -2,-0.3 132,-0.1 131,-0.3 131,-0.1 0.557 107.6 47.4 -86.0 -11.5 6.4 13.8 67.9 12 12 A G S S- 0 0 49 130,-0.5 -2,-0.3 2,-0.1 130,-0.0 -0.205 112.6 -71.2-105.9-158.4 7.8 15.9 70.8 13 13 A P S S+ 0 0 100 0, 0.0 2,-0.3 0, 0.0 23,-0.1 0.482 88.6 114.1 -83.4 1.9 11.1 17.6 71.3 14 14 A V + 0 0 11 128,-0.2 -4,-0.4 21,-0.1 2,-0.3 -0.513 34.6 153.0 -80.9 133.9 13.4 14.5 71.7 15 15 A Q E + D 0 34A 117 19,-1.7 19,-2.9 -2,-0.3 2,-0.3 -0.978 8.5 158.4-150.1 158.7 16.0 13.9 69.1 16 16 A G E -AD 8 33A 11 -8,-1.7 -8,-2.6 -2,-0.3 2,-0.4 -0.986 32.5-128.2-170.8 168.8 19.4 12.2 68.8 17 17 A T E -AD 7 32A 45 15,-2.0 15,-1.7 -2,-0.3 2,-0.4 -0.994 23.6-168.2-133.1 122.0 22.2 10.5 66.8 18 18 A I E -AD 6 31A 0 -12,-2.9 -12,-2.3 -2,-0.4 2,-0.3 -0.941 3.2-160.2-114.9 132.4 23.5 7.0 67.8 19 19 A H E -AD 5 30A 91 11,-2.7 11,-2.4 -2,-0.4 2,-0.4 -0.885 3.5-164.9-111.6 143.8 26.7 5.4 66.4 20 20 A F E +AD 4 29A 4 -16,-2.4 -16,-2.2 -2,-0.3 2,-0.4 -0.992 7.3 178.6-129.2 138.6 27.7 1.7 66.4 21 21 A E E -AD 3 28A 101 7,-1.8 7,-2.9 -2,-0.4 2,-0.3 -0.993 26.7-127.7-142.2 129.6 31.1 0.0 65.8 22 22 A A E + D 0 27A 40 -20,-2.6 2,-0.3 -2,-0.4 5,-0.2 -0.560 30.9 172.7 -72.0 134.2 32.0 -3.7 65.9 23 23 A K E > - D 0 26A 149 3,-2.3 3,-2.2 -2,-0.3 -2,-0.0 -0.926 61.0 -47.1-143.8 113.8 35.1 -4.3 68.1 24 24 A G T 3 S- 0 0 84 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 -0.342 121.5 -25.3 56.0-135.2 36.1 -7.9 68.8 25 25 A D T 3 S+ 0 0 140 -3,-0.1 -1,-0.2 78,-0.0 2,-0.2 0.079 128.1 78.7 -95.0 25.8 33.0 -9.8 69.8 26 26 A T E < S-D 23 0A 30 -3,-2.2 -3,-2.3 75,-0.0 2,-0.4 -0.788 70.7-130.8-125.8 167.3 31.3 -6.6 71.0 27 27 A V E -DE 22 99A 3 72,-2.4 72,-2.4 -2,-0.2 2,-0.5 -0.995 17.4-147.3-120.0 128.8 29.5 -3.5 69.7 28 28 A V E -DE 21 98A 34 -7,-2.9 -7,-1.8 -2,-0.4 2,-0.5 -0.867 14.8-161.8 -95.0 121.7 30.6 -0.0 70.9 29 29 A V E +DE 20 97A 0 68,-3.2 68,-2.3 -2,-0.5 2,-0.3 -0.932 19.0 159.4-111.9 123.7 27.6 2.4 71.1 30 30 A T E +DE 19 96A 57 -11,-2.4 -11,-2.7 -2,-0.5 2,-0.3 -0.815 18.1 82.5-136.5 172.1 28.2 6.2 71.3 31 31 A G E -DE 18 95A 21 64,-0.8 64,-2.5 -2,-0.3 2,-0.3 -0.886 57.5 -86.6 131.2-162.4 26.3 9.4 70.6 32 32 A S E -DE 17 94A 48 -15,-1.7 -15,-2.0 -2,-0.3 2,-0.4 -0.987 13.8-154.5-151.0 158.4 23.8 11.8 72.2 33 33 A I E -DE 16 93A 0 60,-2.0 60,-2.9 -2,-0.3 2,-0.2 -0.996 18.2-169.3-132.4 131.8 20.2 12.5 72.8 34 34 A T E +D 15 0A 49 -19,-2.9 -19,-1.7 -2,-0.4 58,-0.2 -0.760 58.4 46.0-119.3 167.4 18.6 15.9 73.5 35 35 A G S S+ 0 0 36 55,-0.4 2,-0.2 -2,-0.2 57,-0.2 0.606 77.5 139.3 80.0 13.2 15.3 17.3 74.7 36 36 A L - 0 0 9 55,-2.0 -1,-0.2 -3,-0.2 2,-0.1 -0.595 58.6-107.5 -88.6 148.8 14.9 14.8 77.6 37 37 A T - 0 0 100 -2,-0.2 50,-0.3 1,-0.1 -1,-0.1 -0.409 56.8 -82.7 -65.1 151.4 13.6 15.4 81.1 38 38 A E S S+ 0 0 125 51,-0.2 2,-0.2 -2,-0.1 50,-0.2 -0.348 93.1 24.8 -64.9 139.3 16.4 15.2 83.7 39 39 A G E S-F 87 0A 25 48,-2.3 48,-3.0 -3,-0.1 2,-0.2 -0.660 98.9 -9.7 108.6-156.4 17.5 11.7 84.9 40 40 A D E -F 86 0A 62 46,-0.2 2,-0.3 -2,-0.2 46,-0.2 -0.513 48.5-175.0 -87.9 147.4 17.4 8.1 83.6 41 41 A H E -F 85 0A 2 44,-2.3 44,-2.3 -2,-0.2 78,-0.1 -0.995 30.9-110.7-139.9 129.7 15.5 6.9 80.5 42 42 A G E -F 84 0A 0 78,-2.3 76,-2.3 -2,-0.3 2,-0.4 -0.260 33.2-168.2 -59.6 145.6 15.1 3.3 79.2 43 43 A F E + G 0 117A 0 40,-2.2 39,-1.1 74,-0.2 2,-0.3 -0.959 16.9 153.2-144.9 113.4 17.1 2.5 75.9 44 44 A H E -FG 81 116A 0 72,-1.9 72,-2.3 -2,-0.4 2,-0.5 -0.985 45.5-114.5-144.4 156.3 16.5 -0.6 73.9 45 45 A V E - G 0 115A 0 35,-2.0 17,-2.8 -2,-0.3 2,-0.2 -0.801 37.6-154.0 -84.2 125.4 16.7 -2.3 70.4 46 46 A H E -HG 61 114A 0 68,-3.2 68,-1.7 -2,-0.5 15,-0.2 -0.648 21.1-111.3-101.3 157.6 13.1 -3.2 69.3 47 47 A Q S S+ 0 0 67 13,-2.6 2,-0.4 -2,-0.2 12,-0.2 0.856 88.4 51.2 -62.3 -45.8 12.3 -6.0 66.8 48 48 A F - 0 0 18 10,-2.5 2,-0.8 12,-0.2 254,-0.2 -0.814 59.5-147.2-109.6 139.7 11.0 -4.3 63.7 49 49 A G + 0 0 2 252,-1.8 2,-0.6 63,-0.6 251,-0.4 -0.344 60.1 130.7 -87.5 49.9 12.4 -1.4 61.5 50 50 A D + 0 0 31 -2,-0.8 3,-0.3 7,-0.2 -2,-0.1 -0.945 27.5 168.7-116.6 108.5 8.8 -0.3 60.8 51 51 A N > + 0 0 51 -2,-0.6 3,-1.2 1,-0.2 -1,-0.1 0.042 45.0 112.0-104.6 20.1 7.9 3.4 61.3 52 52 A T T 3 S+ 0 0 59 1,-0.3 -1,-0.2 5,-0.1 3,-0.1 0.774 91.5 29.4 -68.2 -24.2 4.5 3.3 59.6 53 53 A Q T >> S- 0 0 135 1,-0.6 3,-1.2 -3,-0.3 4,-0.6 -0.393 116.9-108.4-123.3 49.3 2.8 4.0 62.9 54 54 A G T <4 S- 0 0 34 -3,-1.2 -1,-0.6 1,-0.3 3,-0.4 -0.240 80.8 -23.2 62.5-144.6 5.5 5.9 64.6 55 55 A a T >4 S+ 0 0 20 1,-0.2 3,-1.1 86,-0.2 -1,-0.3 0.697 128.9 74.8 -70.6 -20.8 7.4 4.1 67.4 56 56 A T G X4 S+ 0 0 104 -3,-1.2 3,-1.6 1,-0.2 -1,-0.2 0.893 88.1 58.2 -61.4 -42.0 4.4 1.7 68.0 57 57 A S G 3< S+ 0 0 18 -4,-0.6 -1,-0.2 -3,-0.4 -7,-0.2 0.559 83.6 82.9 -73.8 -1.2 5.1 -0.3 64.9 58 58 A A G < S- 0 0 1 -3,-1.1 -10,-2.5 1,-0.2 -1,-0.3 0.657 86.7-153.6 -69.7 -16.4 8.7 -1.2 66.1 59 59 A G < - 0 0 19 -3,-1.6 -1,-0.2 -4,-0.2 3,-0.1 -0.307 34.2 -24.2 75.5-162.0 7.1 -4.0 68.2 60 60 A P S S- 0 0 71 0, 0.0 -13,-2.6 0, 0.0 -12,-0.2 -0.116 85.6 -62.4 -82.3 177.9 8.6 -5.4 71.4 61 61 A H B -H 46 0A 12 -15,-0.2 -15,-0.3 73,-0.2 2,-0.2 -0.369 68.1 -94.9 -58.8 139.8 12.2 -5.5 72.7 62 62 A F + 0 0 9 -17,-2.8 18,-2.6 16,-0.1 17,-0.2 -0.417 58.2 163.9 -63.1 122.5 14.4 -7.6 70.3 63 63 A N > + 0 0 48 -2,-0.2 3,-1.6 15,-0.2 -1,-0.1 -0.404 15.1 156.0-146.6 59.3 14.3 -11.1 71.9 64 64 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 0.706 80.2 54.5 -68.9 -17.1 15.5 -14.0 69.5 65 65 A L T 3 S- 0 0 76 2,-0.0 -2,-0.0 0, 0.0 13,-0.0 0.319 107.2-124.3 -97.8 5.0 16.5 -16.2 72.5 66 66 A S < + 0 0 108 -3,-1.6 2,-0.2 1,-0.2 12,-0.1 0.920 57.7 145.5 57.4 52.2 13.0 -16.0 74.2 67 67 A K - 0 0 65 10,-0.1 -1,-0.2 1,-0.1 2,-0.1 -0.610 50.0-100.0-109.1 167.6 14.1 -14.7 77.6 68 68 A K - 0 0 111 -2,-0.2 66,-0.2 1,-0.1 2,-0.1 -0.456 51.7 -81.3 -80.4 164.5 12.6 -12.2 80.2 69 69 A H + 0 0 8 64,-2.3 2,-0.2 8,-0.2 -1,-0.1 -0.416 60.2 146.0 -66.5 143.9 13.6 -8.6 80.5 70 70 A G - 0 0 2 -2,-0.1 13,-0.3 8,-0.1 55,-0.3 -0.847 47.5 -76.7-153.9-169.9 16.7 -7.6 82.4 71 71 A G > - 0 0 2 53,-0.6 3,-1.7 -2,-0.2 10,-0.1 -0.536 51.5 -99.3 -91.2 166.8 19.6 -5.1 82.6 72 72 A P T 3 S+ 0 0 46 0, 0.0 29,-0.1 0, 0.0 -1,-0.1 0.773 121.7 53.5 -61.0 -25.5 22.6 -5.3 80.2 73 73 A K T 3 S+ 0 0 207 3,-0.1 2,-0.2 26,-0.1 4,-0.1 0.543 90.9 98.0 -85.7 -8.6 24.8 -7.0 82.8 74 74 A D < - 0 0 43 -3,-1.7 -4,-0.1 1,-0.1 3,-0.0 -0.553 68.1-143.1 -84.2 145.1 22.3 -9.8 83.5 75 75 A E S S+ 0 0 174 -2,-0.2 2,-1.1 1,-0.2 -1,-0.1 0.937 98.2 61.7 -65.0 -44.9 22.4 -13.3 82.0 76 76 A E S S+ 0 0 75 -7,-0.1 2,-0.3 -9,-0.1 -1,-0.2 -0.718 82.9 112.2 -85.8 97.8 18.6 -13.3 81.8 77 77 A R - 0 0 10 -2,-1.1 2,-0.2 -7,-0.1 -8,-0.2 -0.973 69.7 -98.3-155.2 160.4 17.9 -10.4 79.4 78 78 A H > - 0 0 15 -2,-0.3 3,-1.9 -8,-0.2 -15,-0.2 -0.606 37.2-117.0 -75.0 148.8 16.6 -9.6 76.0 79 79 A V T 3 S+ 0 0 2 1,-0.3 23,-0.2 -17,-0.2 -16,-0.2 0.917 117.0 54.7 -50.8 -42.0 19.3 -9.1 73.2 80 80 A G T 3 S+ 0 0 0 -18,-2.6 -35,-2.0 -35,-0.2 2,-1.1 0.482 76.8 116.4 -73.6 -0.3 17.9 -5.6 72.9 81 81 A D E < +F 44 0A 0 -3,-1.9 -37,-0.2 -19,-0.2 -1,-0.1 -0.574 24.4 157.7 -79.8 97.9 18.2 -4.6 76.6 82 82 A L E - 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