==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-OCT-12 4BD4 . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [CU-ZN]; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.AWAD,K.SARABOJI,J.DANIELSSON,L.LANG,M.KURNIK,S.L.MARKLUND, . 939 17 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45019.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 593 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 430 45.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 61 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 4.8 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+4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 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 PARALLEL BRIDGES PER LADDER . 13 6 7 6 16 1 19 7 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 12 0 0 0 2 1 0 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 87 0, 0.0 2,-0.4 0, 0.0 22,-0.2 0.000 360.0 360.0 360.0 159.6 -52.6 -18.4 34.7 2 2 A T E -A 22 0A 43 20,-2.2 20,-2.7 22,-0.1 2,-0.3 -0.928 360.0-171.7-113.9 150.1 -50.5 -19.2 31.7 3 3 A K E +A 21 0A 135 -2,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.995 7.7 170.3-140.7 140.3 -46.8 -19.9 32.0 4 4 A A E -A 20 0A 6 16,-2.4 16,-2.9 -2,-0.3 2,-0.3 -0.972 12.2-156.2-146.9 161.1 -44.2 -20.3 29.3 5 5 A V E -AB 19 107A 47 102,-3.1 102,-2.6 -2,-0.3 2,-0.5 -0.997 9.9-154.6-146.8 142.3 -40.5 -20.6 28.9 6 6 A A E -AB 18 106A 0 12,-2.5 12,-2.5 -2,-0.3 2,-0.8 -0.945 13.1-152.7-108.5 128.7 -37.7 -20.1 26.4 7 7 A V E -A 17 0A 69 98,-0.5 2,-0.4 -2,-0.5 10,-0.2 -0.870 19.8-143.5-102.3 104.6 -34.6 -22.1 26.9 8 8 A L E +A 16 0A 1 8,-2.1 8,-1.5 -2,-0.8 2,-0.3 -0.541 28.7 164.7 -80.6 120.9 -31.8 -19.9 25.3 9 9 A K B +E 103 0B 134 94,-2.3 94,-2.5 -2,-0.4 2,-0.3 -0.930 5.7 160.0-131.9 156.5 -29.1 -21.8 23.5 10 10 A G - 0 0 32 4,-0.5 92,-0.1 2,-0.3 91,-0.1 -0.908 51.9 -94.6-155.0 178.9 -26.3 -21.0 21.0 11 11 A D S S+ 0 0 167 90,-0.3 -1,-0.1 -2,-0.3 91,-0.1 0.960 103.8 57.4 -63.5 -51.0 -23.0 -22.2 19.6 12 12 A G S S- 0 0 45 89,-0.4 -2,-0.3 1,-0.1 89,-0.0 0.323 111.7 -71.2 -74.9-161.7 -21.0 -20.2 22.1 13 13 A P S S+ 0 0 96 0, 0.0 2,-0.2 0, 0.0 25,-0.1 0.655 93.0 110.4 -67.9 -17.8 -20.9 -20.0 25.9 14 14 A V + 0 0 10 23,-0.2 -4,-0.5 87,-0.1 2,-0.3 -0.389 33.8 150.8 -73.9 130.4 -24.3 -18.2 26.2 15 15 A Q E + C 0 36A 86 21,-1.9 21,-2.2 -2,-0.2 2,-0.3 -0.943 9.7 154.4-144.6 166.7 -27.2 -20.1 27.7 16 16 A G E -AC 8 35A 9 -8,-1.5 -8,-2.1 -2,-0.3 2,-0.4 -0.975 33.0-129.0 178.3 163.2 -30.3 -18.9 29.6 17 17 A I E -AC 7 34A 80 17,-2.3 17,-1.6 -2,-0.3 2,-0.5 -0.994 17.0-168.1-134.1 126.8 -33.8 -19.5 30.7 18 18 A I E -AC 6 33A 3 -12,-2.5 -12,-2.5 -2,-0.4 2,-0.3 -0.973 9.6-158.6-121.1 117.5 -36.5 -16.9 30.3 19 19 A N E -AC 5 32A 38 13,-3.4 13,-2.2 -2,-0.5 2,-0.5 -0.682 1.9-160.2 -97.0 144.8 -39.8 -17.5 32.1 20 20 A F E -AC 4 31A 1 -16,-2.9 -16,-2.4 -2,-0.3 2,-0.4 -0.983 10.0-179.9-129.6 121.5 -43.1 -15.9 31.2 21 21 A E E -AC 3 30A 53 9,-2.8 9,-3.5 -2,-0.5 2,-0.4 -0.973 6.9-178.1-123.8 133.9 -46.0 -15.7 33.5 22 22 A Q E -AC 2 29A 2 -20,-2.7 -20,-2.2 -2,-0.4 7,-0.2 -0.979 8.8-168.2-127.5 121.0 -49.4 -14.2 32.9 23 23 A K S S+ 0 0 192 5,-0.5 2,-0.3 -2,-0.4 -1,-0.2 0.978 78.6 19.2 -70.7 -55.3 -52.0 -14.1 35.7 24 24 A E S > S- 0 0 126 4,-0.3 3,-2.2 -23,-0.1 -1,-0.2 -0.899 76.0-124.4-116.9 147.2 -55.0 -13.1 33.6 25 25 A S T 3 S+ 0 0 57 -2,-0.3 52,-0.2 1,-0.3 -1,-0.1 0.802 117.1 44.8 -57.2 -29.5 -55.4 -13.3 29.8 26 26 A N T 3 S+ 0 0 89 49,-0.1 -1,-0.3 486,-0.0 -3,-0.0 0.351 105.5 82.2 -94.0 2.2 -56.2 -9.6 29.8 27 27 A G S < S- 0 0 14 -3,-2.2 485,-0.0 1,-0.2 486,-0.0 -0.345 85.5 -75.8-103.6-179.5 -53.4 -8.7 32.2 28 28 A P - 0 0 56 0, 0.0 -5,-0.5 0, 0.0 2,-0.4 -0.085 40.8-120.5 -69.1 174.7 -49.6 -8.0 32.0 29 29 A V E -CD 22 71A 1 42,-2.4 42,-2.1 -7,-0.2 2,-0.5 -0.976 12.5-141.8-124.7 128.2 -46.8 -10.6 31.6 30 30 A K E -CD 21 70A 60 -9,-3.5 -9,-2.8 -2,-0.4 2,-0.5 -0.805 17.2-166.8 -88.6 127.8 -44.0 -11.1 34.1 31 31 A V E +CD 20 69A 4 38,-2.6 38,-3.1 -2,-0.5 2,-0.3 -0.982 22.5 147.1-118.3 120.7 -40.8 -11.9 32.3 32 32 A W E +CD 19 68A 15 -13,-2.2 -13,-3.4 -2,-0.5 2,-0.3 -0.996 9.1 97.4-153.4 148.0 -37.9 -13.2 34.5 33 33 A G E -CD 18 67A 8 34,-2.0 34,-3.1 -2,-0.3 2,-0.3 -0.974 51.6 -89.1 161.7-160.2 -35.0 -15.6 34.3 34 34 A S E -CD 17 66A 39 -17,-1.6 -17,-2.3 -2,-0.3 2,-0.4 -0.979 12.9-151.2-148.4 154.5 -31.2 -15.6 33.8 35 35 A I E -CD 16 65A 0 30,-2.5 30,-2.7 -2,-0.3 -19,-0.3 -0.988 16.0-176.7-127.6 124.8 -28.4 -15.8 31.2 36 36 A K E +C 15 0A 65 -21,-2.2 -21,-1.9 -2,-0.4 28,-0.2 -0.652 57.6 55.8-107.6 176.8 -24.9 -17.1 31.8 37 37 A G S S+ 0 0 27 25,-0.4 -23,-0.2 1,-0.3 27,-0.2 0.499 74.3 138.0 85.0 4.7 -21.9 -17.3 29.6 38 38 A L - 0 0 12 25,-2.7 2,-0.4 -3,-0.2 -1,-0.3 -0.384 56.0-124.8 -80.0 156.2 -21.8 -13.6 28.9 39 39 A T - 0 0 104 -3,-0.1 20,-0.1 -2,-0.1 23,-0.1 -0.803 54.4 -82.6 -87.8 145.1 -18.8 -11.4 28.7 40 40 A E S S+ 0 0 129 -2,-0.4 2,-0.3 21,-0.2 20,-0.1 -0.299 93.2 88.0 -51.9 130.4 -19.3 -8.6 31.1 41 41 A G S S- 0 0 31 18,-0.2 18,-2.5 -3,-0.0 2,-0.4 -0.957 78.6 -63.2 161.1-173.6 -21.3 -6.0 29.2 42 42 A L E +F 58 0B 81 -2,-0.3 50,-0.9 16,-0.2 51,-0.4 -0.869 49.2 174.6-112.2 135.1 -24.9 -5.0 28.3 43 43 A F E -FG 57 91B 12 14,-3.9 14,-2.9 -2,-0.4 2,-0.3 -0.830 15.0-140.1-137.0 169.2 -27.3 -7.2 26.3 44 44 A G E -FG 56 90B 0 46,-2.2 46,-2.3 12,-0.3 2,-0.4 -0.948 7.1-137.3-142.8 155.7 -30.9 -7.3 25.0 45 45 A F E -FG 55 89B 8 10,-2.6 9,-1.6 -2,-0.3 10,-1.0 -0.890 23.4-179.2-111.6 139.3 -33.8 -9.7 24.5 46 46 A H E - G 0 88B 26 42,-2.5 42,-2.5 -2,-0.4 2,-0.5 -0.994 22.1-142.8-143.6 130.1 -35.9 -9.6 21.4 47 47 A V E > - G 0 87B 3 5,-0.5 3,-2.3 -2,-0.4 4,-0.3 -0.805 41.0-104.6 -84.6 127.7 -38.9 -11.6 20.3 48 48 A H T 3 S+ 0 0 5 38,-2.9 -1,-0.1 -2,-0.5 38,-0.1 -0.265 108.7 22.7 -53.5 134.1 -38.8 -12.3 16.5 49 49 A G T 3 S+ 0 0 20 36,-0.1 456,-3.3 456,-0.1 457,-0.6 0.312 95.3 115.4 94.7 -6.3 -41.2 -10.1 14.7 50 50 A A < - 0 0 8 -3,-2.3 456,-0.2 454,-0.2 -2,-0.1 0.772 62.8-146.8 -78.3 -36.2 -41.1 -7.6 17.5 51 51 A G S S+ 0 0 25 -4,-0.3 2,-0.3 44,-0.1 -1,-0.1 0.162 76.6 37.4 88.6 -23.5 -39.6 -4.4 16.2 52 52 A G S S- 0 0 4 -5,-0.2 -5,-0.5 43,-0.1 2,-0.4 -0.926 96.0 -78.9-147.3 174.8 -38.0 -3.6 19.5 53 53 A D - 0 0 6 -2,-0.3 434,-0.3 -7,-0.1 -7,-0.3 -0.646 24.7-140.9 -78.6 133.7 -36.2 -5.2 22.4 54 54 A L S S- 0 0 14 -9,-1.6 2,-0.2 -2,-0.4 -8,-0.2 0.635 79.2 -49.1 -57.1 -19.0 -38.4 -7.0 25.1 55 55 A G E -F 45 0B 8 -10,-1.0 -10,-2.6 2,-0.0 2,-0.4 -0.871 57.3-105.8 159.0 171.1 -35.9 -5.5 27.5 56 56 A N E -F 44 0B 90 -2,-0.2 2,-0.3 -12,-0.2 -12,-0.3 -0.958 23.7-169.5-128.6 144.4 -32.2 -5.0 28.3 57 57 A V E -F 43 0B 8 -14,-2.9 -14,-3.9 -2,-0.4 2,-0.3 -0.949 12.8-142.6-129.0 154.2 -29.9 -6.6 30.8 58 58 A T E -F 42 0B 97 -2,-0.3 8,-0.4 -16,-0.3 2,-0.3 -0.837 25.3-126.8-113.0 155.0 -26.3 -6.0 32.0 59 59 A A - 0 0 12 -18,-2.5 6,-0.2 -2,-0.3 -18,-0.2 -0.728 11.9-115.5-114.0 153.3 -23.9 -8.8 32.9 60 60 A D > - 0 0 32 4,-2.1 3,-2.7 -2,-0.3 -1,-0.1 -0.271 32.3-109.3 -74.0 159.1 -21.7 -9.7 35.9 61 61 A K T 3 S+ 0 0 167 1,-0.3 -21,-0.2 2,-0.1 -1,-0.1 0.817 126.2 59.1 -49.8 -27.5 -18.0 -10.0 36.1 62 62 A D T 3 S- 0 0 51 2,-0.2 -25,-0.4 -23,-0.1 -1,-0.3 0.372 122.1-109.2 -89.0 3.7 -19.1 -13.6 36.2 63 63 A G S < S+ 0 0 4 -3,-2.7 -25,-2.7 1,-0.2 2,-0.4 0.607 79.3 126.2 80.4 12.3 -20.8 -13.6 32.9 64 64 A V - 0 0 13 -28,-0.2 -4,-2.1 -27,-0.2 2,-0.4 -0.875 37.3-172.5-112.5 135.6 -24.2 -13.8 34.5 65 65 A A E -D 35 0A 0 -30,-2.7 -30,-2.5 -2,-0.4 2,-0.4 -0.971 9.9-149.9-128.4 142.7 -27.3 -11.5 34.0 66 66 A D E -D 34 0A 44 -8,-0.4 2,-0.5 -2,-0.4 -8,-0.2 -0.882 10.4-161.8-114.4 135.2 -30.6 -11.5 35.9 67 67 A V E +D 33 0A 9 -34,-3.1 -34,-2.0 -2,-0.4 2,-0.3 -0.962 21.7 153.9-125.4 124.9 -33.9 -10.4 34.4 68 68 A S E +D 32 0A 26 -2,-0.5 2,-0.3 -36,-0.2 -36,-0.2 -0.855 23.3 143.8-138.7 116.5 -37.2 -9.4 36.1 69 69 A I E -D 31 0A 51 -38,-3.1 -38,-2.6 -2,-0.3 2,-0.4 -0.940 40.9-126.8-141.0 161.1 -39.6 -7.1 34.2 70 70 A E E -D 30 0A 124 -2,-0.3 2,-0.4 -40,-0.2 -40,-0.2 -0.935 21.9-177.8-104.5 136.4 -43.3 -6.3 33.6 71 71 A D E +D 29 0A 5 -42,-2.1 -42,-2.4 -2,-0.4 413,-0.2 -0.966 12.2 174.3-133.0 114.5 -44.6 -6.1 30.0 72 72 A S S S+ 0 0 11 411,-2.7 412,-0.2 -2,-0.4 -1,-0.1 0.402 74.8 67.5 -99.8 -1.8 -48.3 -5.1 29.5 73 73 A V S S+ 0 0 11 410,-0.4 2,-0.2 411,-0.2 -1,-0.1 0.712 95.1 56.8 -85.0 -29.0 -48.0 -4.9 25.7 74 74 A I - 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