==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-OCT-09 3KH4 . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [CU-ZN]; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.M.GAZDAG,W.BLANKENFELDT . 918 6 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39978.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 591 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 305 33.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 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 . 0 0.0 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 . 72 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 2.4 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 4 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 . 6 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 . 21 6 6 1 11 6 11 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 3 3 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 74 0, 0.0 105,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 96.2 -6.8 -22.4 4.7 2 2 A T + 0 0 77 150,-0.2 20,-3.4 1,-0.1 2,-0.3 0.828 360.0 31.2 -79.2 -42.5 -3.7 -24.8 4.6 3 3 A K E +A 21 0A 83 149,-0.4 149,-1.1 18,-0.2 2,-0.3 -0.847 61.7 174.2-122.6 157.2 -3.5 -25.0 8.4 4 4 A A E -AB 20 151A 1 16,-1.9 16,-2.5 -2,-0.3 2,-0.3 -0.922 7.7-162.8-148.3 173.0 -5.8 -25.0 11.4 5 5 A V E -AB 19 150A 0 145,-2.5 145,-3.3 -2,-0.3 2,-0.3 -0.977 1.3-163.9-154.5 160.5 -5.7 -25.4 15.2 6 6 A C E -A 18 0A 0 12,-1.5 12,-2.2 -2,-0.3 2,-0.7 -0.919 12.5-146.4-155.5 126.2 -8.0 -26.1 18.2 7 7 A V E -A 17 0A 32 141,-0.5 2,-0.4 -2,-0.3 10,-0.2 -0.841 19.4-149.3 -97.2 117.2 -7.6 -25.8 21.9 8 8 A L E +A 16 0A 0 8,-2.3 8,-1.5 -2,-0.7 2,-0.3 -0.676 28.2 156.2 -87.2 129.5 -9.6 -28.4 23.8 9 9 A K B +C 146 0A 124 137,-2.1 137,-3.5 -2,-0.4 2,-0.3 -0.948 5.7 156.9-143.4 164.4 -10.9 -27.4 27.2 10 10 A G - 0 0 36 4,-0.4 135,-0.1 2,-0.3 134,-0.1 -0.948 57.5 -80.5-166.9-176.9 -13.7 -28.5 29.5 11 11 A D S S+ 0 0 178 -2,-0.3 134,-0.1 133,-0.1 133,-0.1 0.819 108.2 73.7 -63.2 -34.5 -15.0 -28.6 33.0 12 12 A G S S- 0 0 37 132,-0.8 -2,-0.3 1,-0.1 25,-0.0 0.170 103.4-101.2 -65.0-173.0 -12.7 -31.6 33.6 13 13 A P S S+ 0 0 104 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.369 88.6 118.2 -85.3 -0.6 -8.9 -31.6 34.0 14 14 A V + 0 0 4 130,-0.3 -4,-0.4 23,-0.1 2,-0.3 -0.457 35.2 139.2 -73.9 139.2 -8.9 -32.8 30.3 15 15 A Q E + D 0 36A 67 21,-2.0 21,-3.3 -6,-0.2 2,-0.3 -0.933 11.5 142.9-173.8 154.5 -7.2 -30.4 27.9 16 16 A G E -AD 8 35A 10 -8,-1.5 -8,-2.3 -2,-0.3 2,-0.4 -0.974 38.2-105.7-177.0-178.4 -4.9 -30.3 24.9 17 17 A I E -AD 7 34A 57 17,-1.6 17,-1.8 -2,-0.3 2,-0.4 -0.994 27.7-169.9-128.8 132.8 -4.0 -28.7 21.6 18 18 A I E -AD 6 33A 0 -12,-2.2 -12,-1.5 -2,-0.4 15,-0.2 -0.989 4.7-157.4-131.2 133.1 -4.6 -30.2 18.2 19 19 A N E -AD 5 32A 47 13,-3.3 13,-1.8 -2,-0.4 2,-0.3 -0.663 1.3-158.8-107.8 159.4 -3.3 -29.1 14.8 20 20 A F E -AD 4 31A 2 -16,-2.5 -16,-1.9 -2,-0.2 2,-0.3 -0.986 7.0-177.1-135.3 146.6 -4.4 -29.6 11.3 21 21 A E E -AD 3 30A 47 9,-1.6 9,-2.2 -2,-0.3 2,-0.5 -0.946 9.5-179.2-148.1 123.9 -2.7 -29.4 8.0 22 22 A Q + 0 0 5 -20,-3.4 7,-0.2 -2,-0.3 4,-0.1 -0.854 4.5 178.5-122.1 90.7 -4.1 -29.9 4.5 23 23 A K S S+ 0 0 125 -2,-0.5 2,-0.5 5,-0.2 -1,-0.2 0.905 71.2 47.3 -61.0 -40.4 -1.2 -29.4 2.1 24 24 A E S > S- 0 0 135 4,-0.4 3,-2.7 -3,-0.1 -1,-0.1 -0.886 94.0-111.0-109.3 131.1 -3.4 -30.1 -0.9 25 25 A S T 3 S+ 0 0 96 -2,-0.5 -2,-0.1 1,-0.3 -23,-0.1 -0.276 107.6 1.3 -48.3 130.1 -6.8 -28.6 -1.6 26 26 A N T 3 S+ 0 0 117 1,-0.1 -1,-0.3 -4,-0.1 3,-0.1 0.599 112.2 116.9 57.1 12.5 -9.3 -31.4 -1.2 27 27 A G S < S- 0 0 13 -3,-2.7 -1,-0.1 1,-0.2 2,-0.1 0.017 76.0 -60.9 -84.1-159.1 -6.4 -33.7 -0.3 28 28 A P - 0 0 44 0, 0.0 -4,-0.4 0, 0.0 2,-0.4 -0.358 46.6-132.2 -85.0 172.4 -6.0 -35.5 3.0 29 29 A V E - E 0 101A 0 72,-2.1 72,-0.7 -7,-0.2 2,-0.4 -0.962 6.2-144.7-132.2 110.5 -5.6 -33.7 6.3 30 30 A K E -DE 21 100A 79 -9,-2.2 -9,-1.6 -2,-0.4 2,-0.5 -0.650 18.9-168.2 -77.7 129.7 -2.9 -34.6 9.0 31 31 A V E +DE 20 99A 1 68,-3.1 68,-2.3 -2,-0.4 2,-0.3 -0.976 19.3 149.4-119.4 118.9 -4.3 -34.1 12.4 32 32 A W E +DE 19 98A 115 -13,-1.8 -13,-3.3 -2,-0.5 2,-0.3 -1.000 6.8 98.0-153.3 158.1 -1.9 -34.2 15.3 33 33 A G E -DE 18 97A 14 64,-1.4 64,-1.0 -2,-0.3 2,-0.3 -0.964 55.4 -80.9 162.2-151.4 -1.2 -32.9 18.8 34 34 A S E -DE 17 96A 46 -17,-1.8 -17,-1.6 -2,-0.3 2,-0.4 -0.992 22.8-165.2-155.5 136.4 -1.6 -34.0 22.3 35 35 A I E -DE 16 95A 0 60,-2.1 60,-2.9 -2,-0.3 2,-0.3 -0.949 11.4-166.4-122.7 143.4 -4.3 -34.2 25.0 36 36 A K E +DE 15 94A 119 -21,-3.3 -21,-2.0 -2,-0.4 58,-0.2 -0.901 57.0 51.8-130.3 160.4 -3.8 -34.8 28.7 37 37 A G S S+ 0 0 36 56,-0.6 2,-0.3 55,-0.4 57,-0.2 0.786 74.3 137.8 89.0 33.5 -6.0 -35.7 31.7 38 38 A L - 0 0 14 55,-1.8 2,-0.3 -3,-0.2 -1,-0.3 -0.724 60.7-106.4-109.8 154.6 -7.6 -38.8 30.3 39 39 A T - 0 0 94 -2,-0.3 50,-0.2 82,-0.2 53,-0.1 -0.666 56.1 -91.1 -72.8 137.9 -8.4 -42.1 31.7 40 40 A E S S+ 0 0 95 -2,-0.3 2,-0.2 51,-0.3 50,-0.2 -0.119 92.5 30.4 -44.6 143.8 -6.0 -44.7 30.2 41 41 A G E S-F 89 0A 23 48,-2.0 48,-2.8 49,-0.2 2,-0.1 -0.622 98.8 -5.8 106.9-157.9 -7.4 -46.3 27.0 42 42 A L E -F 88 0A 85 -2,-0.2 2,-0.3 46,-0.2 46,-0.2 -0.426 49.1-178.4 -84.4 149.3 -9.6 -45.3 24.1 43 43 A H E -F 87 0A 2 44,-1.9 44,-2.0 -2,-0.1 80,-0.3 -0.978 29.5-112.5-146.0 134.7 -11.6 -42.1 23.8 44 44 A G E -F 86 0A 0 78,-2.5 76,-2.3 -2,-0.3 2,-0.3 -0.226 30.1-167.8 -63.2 155.3 -14.0 -41.0 21.1 45 45 A F E + G 0 119A 0 40,-1.8 39,-1.1 74,-0.2 2,-0.3 -0.900 16.7 153.6-156.8 107.2 -12.9 -38.1 19.0 46 46 A H E -FG 83 118A 0 72,-2.2 72,-2.8 -2,-0.3 2,-0.6 -0.969 43.8-122.4-143.5 154.0 -15.2 -36.1 16.6 47 47 A V E - G 0 117A 0 35,-2.1 17,-2.3 -2,-0.3 70,-0.2 -0.876 36.4-155.8 -90.9 125.5 -15.9 -32.9 14.8 48 48 A H B -K 63 0B 0 68,-3.4 68,-0.4 -2,-0.6 15,-0.3 -0.629 25.2-104.2-101.6 166.2 -19.4 -31.9 15.8 49 49 A E S S+ 0 0 67 13,-2.7 2,-0.3 -2,-0.2 12,-0.2 0.815 89.8 52.5 -62.0 -41.7 -21.6 -29.6 13.7 50 50 A F - 0 0 17 10,-2.6 66,-0.7 12,-0.2 2,-0.4 -0.787 58.7-145.2-116.2 146.2 -21.4 -26.2 15.5 51 51 A G + 0 0 3 254,-2.2 2,-0.5 63,-0.5 253,-0.4 -0.212 63.1 131.3 -86.7 41.3 -18.8 -23.8 16.9 52 52 A D + 0 0 23 -2,-0.4 -2,-0.1 253,-0.2 253,-0.1 -0.831 23.2 159.2-102.9 126.5 -21.1 -23.1 19.7 53 53 A N > + 0 0 43 -2,-0.5 3,-1.0 6,-0.2 -1,-0.1 0.060 36.7 121.5-129.6 23.8 -19.8 -23.1 23.2 54 54 A T T 3 S+ 0 0 72 1,-0.3 2,-0.5 3,-0.1 3,-0.1 0.915 88.7 25.5 -48.8 -54.8 -22.6 -21.0 24.7 55 55 A A T >> S- 0 0 61 1,-0.3 3,-0.8 -3,-0.0 4,-0.6 -0.649 122.7 -91.9-112.9 68.1 -23.5 -23.8 27.1 56 56 A G G X4 S- 0 0 43 -3,-1.0 3,-0.6 -2,-0.5 -1,-0.3 -0.211 85.7 -29.4 54.9-142.0 -20.2 -25.7 27.4 57 57 A a G >4 S+ 0 0 16 1,-0.2 3,-1.4 86,-0.2 4,-0.2 0.735 126.5 75.4 -81.2 -19.4 -19.7 -28.6 25.0 58 58 A T G X4 S+ 0 0 110 -3,-0.8 3,-1.2 1,-0.3 -1,-0.2 0.754 84.8 66.9 -63.3 -26.7 -23.4 -29.5 24.7 59 59 A S G << S+ 0 0 25 -3,-0.6 -1,-0.3 -4,-0.6 -6,-0.2 0.721 81.2 78.1 -62.8 -25.6 -23.9 -26.5 22.4 60 60 A A G < S- 0 0 0 -3,-1.4 -10,-2.6 -4,-0.2 -1,-0.2 0.708 89.1-157.0 -58.0 -27.3 -21.7 -28.1 19.7 61 61 A G < - 0 0 18 -3,-1.2 -1,-0.2 -4,-0.2 3,-0.1 -0.271 33.6 -20.2 80.5-161.7 -24.6 -30.3 18.8 62 62 A P S S- 0 0 70 0, 0.0 -13,-2.7 0, 0.0 -12,-0.2 -0.106 88.5 -62.7 -77.4 176.6 -24.5 -33.6 17.1 63 63 A H B -K 48 0B 7 73,-0.3 2,-0.5 -15,-0.3 -15,-0.3 -0.239 63.6 -94.7 -57.1 143.1 -21.7 -35.1 15.0 64 64 A F + 0 0 4 -17,-2.3 18,-2.3 -3,-0.1 19,-0.2 -0.469 61.2 159.2 -63.3 112.9 -20.9 -33.1 11.9 65 65 A N > + 0 0 35 -2,-0.5 3,-1.0 15,-0.2 -1,-0.1 -0.605 12.4 159.2-145.3 77.5 -23.0 -35.0 9.4 66 66 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 0.713 79.3 51.4 -79.3 -22.9 -23.7 -33.0 6.2 67 67 A L T 3 S- 0 0 81 2,-0.0 13,-0.0 0, 0.0 -2,-0.0 0.235 108.5-122.1 -94.3 10.3 -24.5 -36.1 4.0 68 68 A S < + 0 0 107 -3,-1.0 2,-0.1 1,-0.1 12,-0.1 0.830 56.6 154.4 52.0 44.6 -27.0 -37.5 6.6 69 69 A R - 0 0 91 10,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.351 48.2 -96.2 -89.6 173.6 -25.3 -40.9 7.1 70 70 A K - 0 0 103 1,-0.1 66,-0.2 -2,-0.1 -1,-0.1 -0.608 53.0 -87.9 -85.2 154.0 -25.3 -43.2 10.1 71 71 A H + 0 0 7 64,-2.2 2,-0.3 -2,-0.2 -1,-0.1 -0.207 60.5 153.4 -61.3 150.1 -22.4 -43.0 12.5 72 72 A G - 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