==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 17-MAR-95 1SXA . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR W.R.RYPNIEWSKI,S.MANGANI,B.BRUNI,P.ORIOLI,M.CASATI, . 302 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13890.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 64.9 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 . 23 7.6 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 66 0, 0.0 103,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 133.6 -5.5 30.3 58.2 2 2 A T + 0 0 101 1,-0.3 20,-2.5 148,-0.2 2,-0.3 0.529 360.0 37.9-116.2 -16.5 -8.1 28.8 60.6 3 3 A K E +A 21 0A 78 147,-0.3 147,-2.0 18,-0.2 2,-0.3 -0.995 61.5 174.4-138.5 144.4 -6.5 25.4 61.2 4 4 A A E -AB 20 149A 1 16,-2.2 16,-2.5 -2,-0.3 2,-0.3 -0.910 9.9-160.2-144.8 165.0 -2.9 24.2 61.6 5 5 A V E -AB 19 148A 1 143,-2.1 143,-2.4 -2,-0.3 2,-0.3 -0.981 1.9-167.2-145.9 154.2 -1.1 21.0 62.4 6 6 A C E -A 18 0A 2 12,-1.9 12,-2.5 -2,-0.3 2,-0.6 -0.981 10.3-152.3-144.7 137.7 2.4 20.2 63.6 7 7 A V E -A 17 0A 29 139,-0.4 2,-0.4 -2,-0.3 10,-0.2 -0.948 19.1-145.4-112.5 119.1 4.1 16.7 63.7 8 8 A L E +A 16 0A 0 8,-2.5 8,-1.3 -2,-0.6 2,-0.3 -0.729 28.5 159.6 -89.6 127.1 6.7 16.5 66.5 9 9 A K B +C 144 0A 114 135,-2.5 135,-2.5 -2,-0.4 2,-0.2 -0.979 4.2 157.5-142.3 154.8 9.8 14.4 65.9 10 10 A G - 0 0 35 4,-0.4 133,-0.2 2,-0.4 132,-0.1 -0.831 55.3 -78.3-155.9-165.4 13.3 14.2 67.4 11 11 A D S S+ 0 0 171 131,-0.3 132,-0.1 -2,-0.2 131,-0.1 0.508 108.7 48.3 -86.7 -8.3 16.3 11.9 67.8 12 12 A G S S- 0 0 49 130,-0.5 -2,-0.4 2,-0.2 130,-0.0 -0.240 111.2 -72.1-111.0-156.0 14.8 9.8 70.6 13 13 A P S S+ 0 0 98 0, 0.0 2,-0.4 0, 0.0 21,-0.1 0.389 86.3 118.7 -83.8 -1.5 11.4 8.2 71.0 14 14 A V + 0 0 8 128,-0.3 -4,-0.4 21,-0.1 2,-0.3 -0.601 33.9 151.7 -76.4 130.7 9.3 11.3 71.6 15 15 A Q E + D 0 34A 103 19,-1.8 19,-2.8 -2,-0.4 2,-0.3 -0.975 6.6 147.7-146.6 161.4 6.6 11.9 68.9 16 16 A G E -AD 8 33A 13 -8,-1.3 -8,-2.5 -2,-0.3 2,-0.4 -0.974 35.7-124.2 179.0 170.0 3.2 13.5 68.6 17 17 A T E -AD 7 32A 45 15,-1.8 15,-1.7 -2,-0.3 2,-0.4 -0.997 23.4-166.2-132.7 127.1 0.8 15.4 66.5 18 18 A I E -AD 6 31A 0 -12,-2.5 -12,-1.9 -2,-0.4 2,-0.3 -0.947 4.2-159.0-114.9 134.0 -0.6 18.8 67.7 19 19 A H E -AD 5 30A 81 11,-3.2 11,-2.3 -2,-0.4 2,-0.4 -0.871 3.0-160.4-114.1 147.6 -3.7 20.4 66.0 20 20 A F E -AD 4 29A 3 -16,-2.5 -16,-2.2 -2,-0.3 2,-0.3 -0.983 8.7-179.8-132.3 137.9 -4.6 24.1 66.2 21 21 A E E -AD 3 28A 99 7,-1.7 7,-2.8 -2,-0.4 2,-0.4 -0.982 25.7-130.8-141.1 126.6 -7.9 25.8 65.5 22 22 A A E + D 0 27A 38 -20,-2.5 2,-0.4 -2,-0.3 5,-0.2 -0.640 30.3 175.6 -76.5 126.9 -8.8 29.5 65.6 23 23 A K E > - D 0 26A 131 3,-2.9 3,-2.2 -2,-0.4 -2,-0.1 -0.956 59.8 -47.2-135.5 112.9 -12.0 29.9 67.7 24 24 A G T 3 S- 0 0 84 -2,-0.4 -1,-0.0 1,-0.3 0, 0.0 -0.351 123.3 -25.4 58.2-130.8 -13.3 33.5 68.4 25 25 A D T 3 S+ 0 0 142 -3,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.108 128.6 75.9-100.4 25.9 -10.1 35.4 69.5 26 26 A T E < S-D 23 0A 32 -3,-2.2 -3,-2.9 75,-0.0 2,-0.4 -0.845 71.4-130.1-128.1 172.1 -8.3 32.3 70.8 27 27 A V E -DE 22 99A 3 72,-2.5 72,-2.4 -2,-0.3 2,-0.5 -0.975 18.3-149.0-120.3 131.2 -6.5 29.3 69.4 28 28 A V E -DE 21 98A 27 -7,-2.8 -7,-1.7 -2,-0.4 2,-0.5 -0.898 13.9-160.4 -97.9 122.3 -7.5 25.9 70.8 29 29 A V E +DE 20 97A 0 68,-3.4 68,-2.7 -2,-0.5 2,-0.3 -0.946 19.2 162.2-111.8 121.4 -4.5 23.5 70.8 30 30 A T E +DE 19 96A 50 -11,-2.3 -11,-3.2 -2,-0.5 2,-0.3 -0.862 15.9 88.1-132.9 169.4 -5.2 19.7 71.0 31 31 A G E -DE 18 95A 22 64,-1.1 64,-2.6 -2,-0.3 2,-0.3 -0.942 56.0 -88.5 141.6-164.5 -3.4 16.5 70.3 32 32 A S E -DE 17 94A 49 -15,-1.7 -15,-1.8 -2,-0.3 2,-0.4 -0.994 15.7-157.6-153.3 150.9 -1.1 13.9 72.0 33 33 A I E -DE 16 93A 0 60,-2.2 60,-2.8 -2,-0.3 2,-0.3 -0.978 16.5-169.9-127.7 138.7 2.5 13.3 72.6 34 34 A T E +D 15 0A 58 -19,-2.8 -19,-1.8 -2,-0.4 58,-0.2 -0.843 58.5 46.1-128.1 163.3 4.0 9.8 73.4 35 35 A G S S+ 0 0 37 55,-0.4 2,-0.2 -2,-0.3 57,-0.2 0.619 78.1 135.1 84.5 10.0 7.3 8.4 74.5 36 36 A L - 0 0 9 55,-2.1 -1,-0.3 -3,-0.1 2,-0.2 -0.531 61.1-106.1 -90.5 155.3 7.6 11.0 77.3 37 37 A T - 0 0 100 -2,-0.2 50,-0.4 1,-0.1 -1,-0.1 -0.479 53.1 -87.0 -76.7 146.8 8.7 10.4 80.9 38 38 A E S S+ 0 0 126 51,-0.2 2,-0.2 -2,-0.2 50,-0.2 -0.281 93.1 36.9 -53.9 145.9 5.9 10.6 83.4 39 39 A G E S-F 87 0A 25 48,-2.8 48,-3.2 -3,-0.1 2,-0.2 -0.663 96.9 -21.4 112.1-168.2 5.3 14.1 84.6 40 40 A D E -F 86 0A 63 46,-0.3 2,-0.4 -2,-0.2 46,-0.2 -0.560 46.0-175.7 -85.6 142.7 5.4 17.7 83.3 41 41 A H E -F 85 0A 3 44,-2.1 44,-2.4 -2,-0.2 78,-0.1 -0.997 31.8-112.5-137.6 135.6 7.3 18.9 80.2 42 42 A G E -F 84 0A 0 78,-2.5 76,-2.6 -2,-0.4 2,-0.4 -0.405 30.7-164.9 -69.5 147.6 7.5 22.5 79.0 43 43 A F E + G 0 117A 0 40,-2.4 39,-0.8 74,-0.2 2,-0.3 -0.960 20.2 159.7-136.4 107.2 5.7 23.0 75.7 44 44 A H E -FG 81 116A 0 72,-2.1 72,-2.6 -2,-0.4 2,-0.5 -0.964 44.6-118.5-136.2 160.4 6.5 26.2 73.8 45 45 A V E - G 0 115A 0 35,-2.1 17,-2.5 -2,-0.3 2,-0.2 -0.787 35.8-156.7 -89.9 122.7 6.4 27.9 70.4 46 46 A H E -HG 61 114A 2 68,-3.3 68,-1.5 -2,-0.5 15,-0.3 -0.685 22.7-110.5 -96.8 156.6 10.1 28.7 69.4 47 47 A Q S S+ 0 0 62 13,-3.5 2,-0.4 -2,-0.2 12,-0.2 0.831 87.2 52.3 -61.0 -47.4 10.8 31.5 67.0 48 48 A F - 0 0 18 10,-2.8 2,-0.5 12,-0.2 254,-0.2 -0.757 59.7-146.2-102.2 146.4 12.1 29.9 63.7 49 49 A G + 0 0 2 252,-2.0 2,-0.7 63,-0.5 251,-0.3 -0.216 61.3 131.5 -94.9 42.2 10.6 27.2 61.6 50 50 A D + 0 0 24 -2,-0.5 3,-0.3 7,-0.3 -2,-0.1 -0.880 26.7 167.4-103.5 112.4 14.2 26.1 60.9 51 51 A N > + 0 0 42 -2,-0.7 3,-1.4 1,-0.2 -1,-0.1 0.084 42.1 114.1-108.4 18.6 15.0 22.4 61.3 52 52 A T T 3 S+ 0 0 58 1,-0.3 -1,-0.2 5,-0.1 3,-0.1 0.832 90.3 29.9 -64.5 -25.9 18.3 22.4 59.6 53 53 A Q T > S- 0 0 139 1,-0.6 3,-1.2 -3,-0.3 4,-0.3 -0.335 118.1-104.7-123.7 48.6 20.0 21.5 63.0 54 54 A G T < S- 0 0 29 -3,-1.4 -1,-0.6 1,-0.2 3,-0.5 -0.384 81.5 -25.6 67.1-144.4 17.2 19.6 64.6 55 55 A a T > S+ 0 0 11 1,-0.2 3,-1.1 86,-0.2 -1,-0.2 0.656 128.4 77.0 -78.6 -15.2 15.3 21.4 67.3 56 56 A T G X S+ 0 0 97 -3,-1.2 3,-1.3 1,-0.2 -1,-0.2 0.855 86.2 56.9 -65.0 -38.5 18.3 23.6 68.0 57 57 A S G 3 S+ 0 0 21 -3,-0.5 -7,-0.3 -4,-0.3 -1,-0.2 0.505 80.9 89.2 -74.7 -0.3 17.9 25.9 65.0 58 58 A A G < S- 0 0 0 -3,-1.1 -10,-2.8 1,-0.2 -1,-0.3 0.645 84.2-152.8 -68.1 -13.3 14.4 26.8 66.2 59 59 A G < - 0 0 21 -3,-1.3 -1,-0.2 -12,-0.2 3,-0.1 -0.321 36.2 -30.8 71.6-157.2 16.0 29.6 68.2 60 60 A P S S- 0 0 75 0, 0.0 -13,-3.5 0, 0.0 -12,-0.2 -0.096 85.7 -58.2 -84.9-178.5 14.4 31.0 71.4 61 61 A H B -H 46 0A 9 -15,-0.3 2,-0.4 73,-0.2 -15,-0.3 -0.420 65.1 -96.4 -62.3 147.7 10.8 31.3 72.5 62 62 A F + 0 0 9 -17,-2.5 18,-2.2 16,-0.1 17,-0.5 -0.464 58.3 162.7 -66.1 118.0 8.6 33.4 70.1 63 63 A N > + 0 0 46 -2,-0.4 3,-1.8 15,-0.2 -1,-0.1 -0.454 14.3 158.2-141.2 68.0 8.7 36.8 71.8 64 64 A P T 3 S+ 0 0 48 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 0.743 80.6 54.9 -64.5 -22.2 7.6 39.7 69.5 65 65 A L T 3 S- 0 0 81 12,-0.1 -3,-0.0 -3,-0.1 -2,-0.0 0.348 105.0-126.8 -93.8 6.9 6.8 41.8 72.6 66 66 A S < + 0 0 107 -3,-1.8 2,-0.2 1,-0.2 12,-0.1 0.879 56.9 143.9 47.5 52.9 10.2 41.5 74.3 67 67 A K - 0 0 71 10,-0.1 -1,-0.2 1,-0.1 2,-0.1 -0.575 51.6 -98.8-107.7 173.8 9.0 40.2 77.6 68 68 A K - 0 0 110 -2,-0.2 66,-0.2 1,-0.1 2,-0.1 -0.483 51.9 -78.3 -90.2 166.6 10.5 37.7 80.1 69 69 A H + 0 0 7 64,-2.4 2,-0.2 8,-0.2 -1,-0.1 -0.405 62.5 151.1 -65.3 137.0 9.5 34.0 80.3 70 70 A G - 0 0 1 8,-0.1 13,-0.3 -2,-0.1 55,-0.2 -0.804 46.2 -81.0-145.8-169.9 6.2 33.3 82.2 71 71 A G > - 0 0 2 53,-0.5 3,-1.9 5,-0.2 10,-0.1 -0.608 50.8 -99.2 -96.3 164.5 3.3 30.8 82.4 72 72 A P T 3 S+ 0 0 28 0, 0.0 29,-0.1 0, 0.0 -1,-0.1 0.753 123.2 52.9 -57.8 -27.0 0.4 31.0 80.0 73 73 A K T 3 S+ 0 0 188 3,-0.1 2,-0.2 26,-0.0 4,-0.1 0.542 91.7 98.3 -90.2 -4.3 -1.8 32.8 82.6 74 74 A D < - 0 0 43 -3,-1.9 -4,-0.1 1,-0.1 3,-0.1 -0.518 67.0-143.5 -86.3 150.7 0.8 35.5 83.3 75 75 A E S S+ 0 0 174 1,-0.2 2,-1.2 -2,-0.2 -1,-0.1 0.825 97.8 61.4 -77.6 -35.9 0.9 39.0 81.8 76 76 A E S S+ 0 0 81 -9,-0.1 2,-0.3 -7,-0.1 -5,-0.2 -0.798 83.6 115.1 -96.6 97.4 4.6 38.9 81.6 77 77 A R - 0 0 9 -2,-1.2 -8,-0.2 -7,-0.2 2,-0.2 -0.979 68.6-102.2-155.4 159.5 5.2 36.0 79.3 78 78 A H > - 0 0 15 -2,-0.3 3,-1.7 -8,-0.2 -15,-0.2 -0.553 37.0-117.7 -79.9 157.4 6.5 35.3 75.8 79 79 A V T 3 S+ 0 0 2 -17,-0.5 23,-0.2 1,-0.3 -16,-0.2 0.893 116.4 56.1 -59.9 -34.5 3.8 34.8 73.1 80 80 A G T 3 S+ 0 0 0 -18,-2.2 -35,-2.1 -35,-0.2 2,-1.1 0.470 76.5 112.0 -77.2 0.0 5.2 31.2 72.8 81 81 A D E < +F 44 0A 0 -3,-1.7 -37,-0.2 -19,-0.2 3,-0.1 -0.578 26.3 156.5 -83.3 99.2 4.8 30.2 76.5 82 82 A L E - 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