==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-AUG-07 2R27 . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [CU-ZN]; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.R.ROBERTS,E.D.GETZOFF,P.A.KARPLUS,J.S.BECKMAN,J.A.TAINER . 268 6 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13286.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 104 38.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 0 0.0 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 . 25 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 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 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 . 5 3 0 2 4 2 3 1 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 . 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 52 0, 0.0 95,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 178.6 27.8 2.0 4.6 2 2 A T + 0 0 79 1,-0.4 20,-2.7 133,-0.2 2,-0.3 0.707 360.0 25.4-113.8 -32.5 30.7 4.3 3.7 3 3 A K E +A 21 0A 79 132,-0.3 132,-1.9 18,-0.2 -1,-0.4 -0.977 62.0 171.0-134.3 151.1 31.7 5.8 7.1 4 4 A A E -AB 20 134A 1 16,-2.0 16,-2.4 -2,-0.3 2,-0.3 -0.919 11.9-156.7-150.1 171.5 31.4 4.5 10.7 5 5 A V E -AB 19 133A 3 128,-2.4 128,-2.6 -2,-0.3 2,-0.4 -0.992 4.6-160.3-155.0 146.6 32.6 5.4 14.1 6 6 A A E -A 18 0A 0 12,-2.5 12,-2.6 -2,-0.3 2,-0.8 -0.995 10.8-151.2-130.3 126.2 33.2 3.7 17.4 7 7 A V E -A 17 0A 27 124,-0.5 2,-0.6 -2,-0.4 10,-0.2 -0.873 19.7-143.9 -97.7 112.1 33.5 5.6 20.7 8 8 A L E +A 16 0A 1 8,-2.6 8,-1.7 -2,-0.8 2,-0.3 -0.672 31.6 161.0 -81.1 117.2 35.7 3.5 23.0 9 9 A K E +C 129 0A 124 120,-1.9 120,-2.2 -2,-0.6 2,-0.2 -0.980 1.9 148.0-136.3 148.7 34.6 3.7 26.7 10 10 A G E -C 128 0A 38 4,-0.4 118,-0.2 -2,-0.3 117,-0.1 -0.741 59.1 -70.8-153.7-158.9 35.3 1.5 29.7 11 11 A D S S+ 0 0 177 116,-0.5 117,-0.1 -2,-0.2 116,-0.1 0.342 105.4 36.1 -89.6 3.7 35.7 1.6 33.5 12 12 A G S S- 0 0 49 115,-0.4 -2,-0.3 2,-0.3 25,-0.0 -0.373 107.6 -59.5-135.4-156.1 39.0 3.3 33.5 13 13 A P S S+ 0 0 93 0, 0.0 2,-0.4 0, 0.0 23,-0.2 0.674 93.7 105.5 -72.7 -17.9 41.2 5.9 32.0 14 14 A V + 0 0 10 23,-0.2 -4,-0.4 113,-0.1 -2,-0.3 -0.533 42.2 135.8 -73.0 125.3 41.2 4.2 28.6 15 15 A Q E + D 0 36A 97 21,-1.4 21,-2.3 -2,-0.4 2,-0.3 -0.974 14.0 146.4-159.1 157.4 39.0 6.0 26.0 16 16 A G E -AD 8 35A 13 -8,-1.7 -8,-2.6 -2,-0.3 2,-0.4 -0.980 38.2-113.9-178.3 174.8 39.2 7.0 22.4 17 17 A I E -AD 7 34A 76 17,-1.5 17,-1.2 -2,-0.3 2,-0.5 -0.995 25.3-167.9-129.9 126.6 37.3 7.6 19.1 18 18 A I E -AD 6 33A 0 -12,-2.6 -12,-2.5 -2,-0.4 2,-0.3 -0.968 4.8-158.8-120.1 128.5 38.0 5.5 16.1 19 19 A N E -AD 5 32A 46 13,-3.3 13,-2.3 -2,-0.5 2,-0.3 -0.738 2.8-161.9-103.0 153.7 36.7 6.3 12.6 20 20 A F E +AD 4 31A 1 -16,-2.4 -16,-2.0 -2,-0.3 2,-0.3 -0.977 8.2 179.6-132.7 144.0 36.3 4.0 9.7 21 21 A E E +AD 3 30A 43 9,-2.1 9,-3.5 -2,-0.3 2,-0.4 -0.972 6.6 175.2-151.5 133.0 35.9 4.7 6.0 22 22 A Q E + D 0 29A 6 -20,-2.7 7,-0.2 -2,-0.3 -2,-0.0 -0.956 3.7 178.3-139.3 115.7 35.5 2.5 2.9 23 23 A K + 0 0 167 5,-0.5 2,-0.4 -2,-0.4 -1,-0.1 0.912 68.4 52.4 -88.4 -44.6 34.9 4.0 -0.5 24 24 A E S > S- 0 0 126 4,-0.3 3,-2.4 1,-0.1 -1,-0.1 -0.755 82.2-127.6 -94.1 142.3 34.7 0.9 -2.8 25 25 A S T 3 S+ 0 0 92 -2,-0.4 71,-0.2 1,-0.3 72,-0.2 0.917 114.8 27.2 -51.4 -47.4 32.3 -1.8 -1.8 26 26 A N T 3 S+ 0 0 139 69,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 -0.000 107.2 109.0-106.0 32.1 35.1 -4.4 -2.1 27 27 A G S < S- 0 0 5 -3,-2.4 64,-0.0 1,-0.2 2,-0.0 -0.442 76.6 -79.1 -99.1 174.4 37.8 -1.9 -1.2 28 28 A P - 0 0 40 0, 0.0 -5,-0.5 0, 0.0 2,-0.5 -0.324 38.3-127.4 -74.4 160.0 39.9 -1.4 1.9 29 29 A V E -DE 22 91A 0 62,-3.1 62,-2.3 65,-0.2 2,-0.5 -0.915 14.8-143.5-107.3 126.7 38.7 0.2 5.0 30 30 A K E -DE 21 90A 117 -9,-3.5 -9,-2.1 -2,-0.5 2,-0.5 -0.801 16.5-169.1 -92.7 133.6 40.7 3.0 6.5 31 31 A V E +DE 20 89A 1 58,-3.0 58,-3.3 -2,-0.5 2,-0.3 -0.983 17.3 153.3-121.2 125.3 40.7 3.0 10.3 32 32 A W E +DE 19 88A 97 -13,-2.3 -13,-3.3 -2,-0.5 2,-0.3 -0.999 11.1 96.2-154.4 155.9 42.1 6.0 12.2 33 33 A G E -DE 18 87A 18 54,-2.0 54,-3.3 -2,-0.3 2,-0.3 -0.979 55.2 -83.7 159.4-161.1 41.8 7.8 15.5 34 34 A S E -DE 17 86A 49 -17,-1.2 -17,-1.5 -2,-0.3 2,-0.4 -0.992 21.3-169.9-145.5 144.7 43.3 8.0 18.9 35 35 A I E -DE 16 85A 0 50,-2.1 50,-3.4 -2,-0.3 2,-0.2 -0.997 14.1-178.3-134.9 137.5 43.1 6.2 22.2 36 36 A K E +D 15 0A 107 -21,-2.3 -21,-1.4 -2,-0.4 48,-0.2 -0.757 53.9 61.8-128.0 174.5 44.7 7.5 25.4 37 37 A G S S+ 0 0 35 45,-0.3 -23,-0.2 1,-0.3 2,-0.2 0.541 76.2 138.5 84.5 10.9 45.0 6.2 29.0 38 38 A L - 0 0 9 45,-2.5 -1,-0.3 -3,-0.1 2,-0.2 -0.509 60.7-110.0 -94.0 151.1 47.0 3.1 27.9 39 39 A T - 0 0 102 -2,-0.2 40,-0.3 72,-0.1 -1,-0.1 -0.560 55.9 -89.5 -72.8 143.9 50.0 1.4 29.4 40 40 A E S S+ 0 0 139 -2,-0.2 2,-0.2 41,-0.2 40,-0.2 -0.196 91.6 33.3 -53.9 142.0 53.0 1.9 27.0 41 41 A G E S-F 79 0A 27 38,-3.3 38,-3.0 -3,-0.1 2,-0.2 -0.654 98.4 -13.2 113.2-169.3 53.4 -0.7 24.3 42 42 A L E -F 78 0A 87 36,-0.2 2,-0.4 -2,-0.2 36,-0.2 -0.473 50.1-170.3 -81.3 139.4 51.1 -3.0 22.1 43 43 A H E -F 77 0A 1 34,-2.3 34,-2.2 -2,-0.2 70,-0.3 -0.994 30.8-108.8-131.5 127.6 47.4 -3.5 22.8 44 44 A G E -F 76 0A 0 68,-3.1 66,-3.0 -2,-0.4 2,-0.5 -0.218 34.0-167.4 -51.5 138.3 45.1 -6.1 21.1 45 45 A F E + G 0 109A 0 30,-2.5 29,-1.7 64,-0.2 30,-0.3 -0.952 22.1 149.7-135.9 106.0 42.7 -4.3 18.8 46 46 A H E -FG 73 108A 2 62,-2.0 62,-2.8 -2,-0.5 2,-0.6 -0.948 47.2-121.6-140.8 163.9 39.8 -6.4 17.5 47 47 A V E - G 0 107A 0 25,-2.5 17,-2.6 -2,-0.3 2,-0.3 -0.917 33.1-154.3-103.4 123.3 36.2 -6.3 16.4 48 48 A H E -HG 63 106A 6 58,-3.5 58,-1.9 -2,-0.6 15,-0.3 -0.673 22.9-109.0-101.3 159.3 34.1 -8.6 18.5 49 49 A E S S+ 0 0 63 13,-3.2 2,-0.4 -2,-0.3 12,-0.2 0.789 90.0 53.0 -67.8 -38.4 30.9 -10.2 17.3 50 50 A F - 0 0 16 10,-2.5 2,-1.0 12,-0.2 222,-0.2 -0.845 57.5-151.7-111.2 134.0 28.1 -8.5 19.1 51 51 A G + 0 0 2 220,-1.5 2,-0.7 53,-0.9 219,-0.4 -0.402 54.6 139.1 -90.7 53.2 27.3 -4.8 19.4 52 52 A D + 0 0 29 -2,-1.0 3,-0.3 7,-0.2 7,-0.2 -0.900 27.1 172.8-107.9 112.1 25.6 -5.6 22.7 53 53 A N > + 0 0 52 -2,-0.7 3,-1.7 1,-0.2 -1,-0.1 0.130 44.3 113.8-104.8 17.5 26.4 -3.1 25.4 54 54 A T T 3 S+ 0 0 66 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.829 96.5 21.7 -60.5 -28.7 24.0 -4.5 28.0 55 55 A A T > S- 0 0 54 1,-0.6 3,-1.9 -3,-0.3 -1,-0.3 -0.317 114.4-119.7-129.6 43.6 27.0 -5.5 30.3 56 56 A G G X S- 0 0 28 -3,-1.7 3,-1.2 1,-0.3 -1,-0.6 -0.160 82.4 -9.8 53.5-137.7 29.3 -3.0 28.7 57 57 A a G > S+ 0 0 16 1,-0.2 3,-1.4 2,-0.2 -1,-0.3 0.753 127.0 74.2 -63.7 -23.9 32.3 -4.6 27.1 58 58 A T G X S+ 0 0 115 -3,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.842 91.4 52.8 -63.3 -32.7 31.4 -8.0 28.7 59 59 A S G < S+ 0 0 23 -3,-1.2 -1,-0.2 -4,-0.2 -7,-0.2 0.353 79.9 97.1 -85.5 8.0 28.5 -8.7 26.3 60 60 A A G < S- 0 0 0 -3,-1.4 -10,-2.5 1,-0.2 46,-0.2 0.656 74.1-154.4 -72.4 -15.5 30.6 -8.2 23.1 61 61 A G < - 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