==== 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 03-OCT-12 4BCZ . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [CU-ZN]; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.SARABOJI,W.AWAD,J.DANIELSSON,L.LANG,M.KURNIK,S.L.MARKLUND, . 219 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11150.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 141 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 43.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 . 14 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 5.5 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 . 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 . 2 0 3 1 4 0 5 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 1 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 51 0, 0.0 75,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 152.8 21.8 -30.9 -15.5 2 2 A T + 0 0 48 108,-2.5 20,-2.9 1,-0.3 2,-0.3 0.727 360.0 26.8-104.4 -30.5 25.0 -28.9 -16.2 3 3 A K E +A 21 0A 24 107,-2.7 106,-3.4 18,-0.2 107,-2.0 -0.993 63.8 174.2-133.2 145.8 23.5 -25.4 -16.0 4 4 A A E -AB 20 108A 0 16,-2.6 16,-2.8 -2,-0.3 2,-0.3 -0.959 11.7-155.7-143.4 159.1 20.4 -23.9 -14.1 5 5 A V E -AB 19 107A 38 102,-2.6 102,-2.8 -2,-0.3 2,-0.5 -1.000 2.6-160.4-139.3 135.2 18.9 -20.5 -13.5 6 6 A A E -AB 18 106A 0 12,-2.8 12,-2.6 -2,-0.3 2,-0.7 -0.978 9.0-154.3-112.1 128.2 16.6 -19.0 -10.8 7 7 A V E -A 17 0A 94 98,-0.5 2,-0.5 -2,-0.5 10,-0.2 -0.895 19.2-150.3 -97.1 110.9 14.6 -15.9 -11.6 8 8 A L E -A 16 0A 2 8,-2.2 8,-2.1 -2,-0.7 2,-0.4 -0.706 17.6-179.9 -88.6 128.8 14.0 -14.3 -8.2 9 9 A K E +AC 15 103A 134 94,-2.3 94,-2.3 -2,-0.5 6,-0.2 -0.996 10.9 151.4-129.8 131.6 10.9 -12.2 -7.7 10 10 A G - 0 0 10 4,-2.3 92,-0.2 -2,-0.4 2,-0.1 -0.610 46.6 -48.7-136.5-162.6 9.9 -10.4 -4.6 11 11 A D S > S- 0 0 76 90,-0.3 3,-2.2 -2,-0.2 -1,-0.1 -0.419 99.3 -18.2 -76.7 152.1 8.0 -7.4 -3.3 12 12 A G T 3 S- 0 0 67 1,-0.3 -2,-0.2 -2,-0.1 25,-0.0 -0.306 134.3 -12.3 57.8-126.6 8.4 -3.9 -4.7 13 13 A P T 3 S+ 0 0 96 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 0.423 97.9 126.0 -88.2 1.9 11.7 -3.6 -6.6 14 14 A V < + 0 0 9 -3,-2.2 -4,-2.3 23,-0.3 2,-0.3 -0.455 30.3 131.9 -69.6 120.1 13.2 -6.9 -5.4 15 15 A Q E +AD 9 36A 87 21,-1.9 21,-3.4 -2,-0.4 2,-0.3 -0.974 21.2 164.4-163.1 152.6 14.3 -9.1 -8.3 16 16 A G E -AD 8 35A 1 -8,-2.1 -8,-2.2 -2,-0.3 2,-0.4 -0.985 28.9-132.1-162.9 168.5 17.3 -11.1 -9.4 17 17 A I E -AD 7 34A 43 17,-2.3 17,-2.1 -2,-0.3 2,-0.5 -0.979 21.9-173.7-135.8 120.8 18.9 -13.7 -11.6 18 18 A I E -AD 6 33A 0 -12,-2.6 -12,-2.8 -2,-0.4 2,-0.3 -0.973 7.1-157.1-118.5 128.9 21.0 -16.4 -10.2 19 19 A N E -AD 5 32A 4 13,-3.3 13,-2.3 -2,-0.5 2,-0.4 -0.783 3.2-164.2-104.9 145.3 23.0 -18.9 -12.3 20 20 A F E +AD 4 31A 0 -16,-2.8 -16,-2.6 -2,-0.3 2,-0.4 -0.992 9.4 179.9-126.4 133.0 24.2 -22.4 -11.3 21 21 A E E +AD 3 30A 22 9,-2.1 9,-2.6 -2,-0.4 2,-0.4 -0.999 7.8 176.8-136.6 138.3 26.9 -24.4 -13.2 22 22 A Q - 0 0 4 -20,-2.9 7,-0.1 -2,-0.4 3,-0.1 -0.964 13.4-165.4-141.1 118.4 28.4 -27.8 -12.6 23 23 A K S S+ 0 0 160 5,-0.5 2,-0.3 -2,-0.4 -1,-0.1 0.908 76.1 28.7 -69.0 -43.0 30.9 -29.4 -15.0 24 24 A E S > S- 0 0 124 4,-0.3 3,-2.6 -22,-0.1 -1,-0.1 -0.926 85.1-106.7-131.4 151.8 30.6 -32.9 -13.6 25 25 A S T 3 S+ 0 0 81 -2,-0.3 52,-0.3 1,-0.3 51,-0.1 0.699 119.0 23.3 -47.2 -37.7 28.0 -35.0 -11.8 26 26 A N T 3 S+ 0 0 156 49,-0.1 -1,-0.3 50,-0.1 -3,-0.0 0.295 104.1 114.9-110.0 7.8 29.6 -34.9 -8.3 27 27 A G S < S- 0 0 13 -3,-2.6 0, 0.0 1,-0.2 0, 0.0 -0.083 73.6 -75.3 -83.8 175.8 31.6 -31.7 -8.8 28 28 A P - 0 0 60 0, 0.0 2,-0.5 0, 0.0 -5,-0.5 -0.295 43.2-133.2 -69.0 153.4 31.5 -28.2 -7.3 29 29 A V E - E 0 71A 0 42,-3.0 42,-2.8 -7,-0.1 2,-0.4 -0.945 7.6-145.5-114.0 123.8 28.7 -25.9 -8.3 30 30 A K E -DE 21 70A 47 -9,-2.6 -9,-2.1 -2,-0.5 2,-0.5 -0.746 15.3-168.1 -85.5 129.4 29.4 -22.3 -9.3 31 31 A V E +DE 20 69A 0 38,-3.1 38,-2.8 -2,-0.4 2,-0.3 -0.982 19.9 152.5-120.3 123.6 26.6 -19.9 -8.2 32 32 A W E +DE 19 68A 0 -13,-2.3 -13,-3.3 -2,-0.5 2,-0.3 -1.000 13.0 85.5-153.8 150.4 26.6 -16.4 -9.6 33 33 A G E -DE 18 67A 3 34,-2.2 34,-2.9 -2,-0.3 2,-0.3 -0.993 57.6 -89.3 157.0-150.5 24.4 -13.5 -10.6 34 34 A S E -DE 17 66A 24 -17,-2.1 -17,-2.3 -2,-0.3 2,-0.4 -0.994 14.0-150.8-158.1 159.5 22.9 -10.5 -8.8 35 35 A I E -DE 16 65A 0 30,-2.1 30,-2.9 -2,-0.3 2,-0.3 -0.997 19.4-171.4-133.2 136.1 19.8 -9.4 -6.8 36 36 A K E +D 15 0A 96 -21,-3.4 -21,-1.9 -2,-0.4 28,-0.2 -0.770 57.1 50.1-124.9 168.1 18.5 -5.9 -6.8 37 37 A G S S+ 0 0 27 25,-0.4 -23,-0.3 -2,-0.3 27,-0.2 0.543 77.8 138.6 85.1 8.6 15.9 -3.9 -4.9 38 38 A L - 0 0 10 25,-2.2 -1,-0.3 -3,-0.2 2,-0.2 -0.418 59.2-107.5 -85.0 158.7 17.2 -5.1 -1.5 39 39 A T - 0 0 80 52,-0.5 20,-0.2 1,-0.1 -1,-0.1 -0.528 54.0 -85.7 -74.6 153.7 17.7 -3.1 1.7 40 40 A E S S+ 0 0 108 -2,-0.2 2,-0.3 21,-0.1 20,-0.2 -0.350 90.7 28.9 -62.2 136.7 21.4 -2.4 2.4 41 41 A G E S-F 59 0A 25 18,-2.5 18,-2.9 52,-0.1 2,-0.3 -0.770 98.3 -8.7 119.2-158.7 23.2 -5.1 4.4 42 42 A L E -F 58 0A 81 -2,-0.3 52,-3.3 16,-0.2 2,-0.4 -0.577 50.2-174.6 -86.0 136.4 23.1 -8.9 4.8 43 43 A H E -Fg 57 94A 0 14,-2.5 14,-2.6 -2,-0.3 50,-0.1 -0.989 29.3-115.5-132.2 126.5 20.3 -11.1 3.5 44 44 A G E -F 56 0A 8 50,-0.5 46,-2.2 48,-0.4 2,-0.4 -0.277 34.9-171.0 -58.1 138.4 19.9 -14.8 4.1 45 45 A F E + H 0 89A 0 10,-2.4 9,-1.8 44,-0.2 2,-0.3 -0.978 20.5 125.2-143.2 115.1 20.2 -16.8 0.8 46 46 A H E -FH 53 88A 52 42,-2.3 42,-2.6 -2,-0.4 2,-0.5 -0.999 56.8 -93.5-167.0 164.4 19.5 -20.5 0.4 47 47 A V E - H 0 87A 2 5,-2.9 5,-0.4 -2,-0.3 40,-0.2 -0.770 54.0-106.1 -87.0 130.4 17.7 -23.3 -1.3 48 48 A H S S+ 0 0 133 38,-3.4 2,-0.2 -2,-0.5 38,-0.2 -0.331 87.7 22.8 -57.7 131.5 14.4 -24.2 0.4 49 49 A G S > S- 0 0 52 36,-0.1 3,-0.5 -2,-0.0 2,-0.2 -0.671 106.8 -27.8 108.8-166.6 14.9 -27.5 2.3 50 50 A A T 3 S+ 0 0 78 -2,-0.2 0, 0.0 1,-0.2 0, 0.0 -0.512 116.3 21.3 -84.5 152.2 17.9 -29.3 3.6 51 51 A G T 3 S+ 0 0 51 -2,-0.2 -1,-0.2 1,-0.1 -3,-0.1 0.561 93.8 100.1 77.5 11.4 21.5 -29.1 2.2 52 52 A G < + 0 0 2 -3,-0.5 -5,-2.9 -5,-0.4 2,-0.3 0.116 36.6 141.9-120.9 23.5 21.0 -25.8 0.4 53 53 A D E +F 46 0A 110 -7,-0.2 -7,-0.2 1,-0.1 20,-0.1 -0.492 18.1 174.8 -70.2 124.9 22.5 -23.1 2.6 54 54 A L E - 0 0 11 -9,-1.8 2,-0.2 1,-0.4 -8,-0.2 0.139 37.2-133.5-113.5 18.9 24.3 -20.4 0.6 55 55 A G E - 0 0 34 2,-0.0 -10,-2.4 -11,-0.0 -1,-0.4 -0.446 48.8 -33.9 73.1-137.3 25.0 -18.1 3.5 56 56 A N E -F 44 0A 87 -12,-0.2 2,-0.3 -2,-0.2 -12,-0.2 -0.923 45.8-145.9-120.0 147.8 24.3 -14.4 3.2 57 57 A V E -F 43 0A 7 -14,-2.6 -14,-2.5 -2,-0.4 2,-0.6 -0.818 20.3-131.3-101.9 157.6 24.5 -12.1 0.3 58 58 A T E -F 42 0A 90 8,-0.4 8,-0.5 -2,-0.3 2,-0.4 -0.932 13.4-157.4-114.4 116.4 25.5 -8.5 0.8 59 59 A A E -F 41 0A 2 -18,-2.9 -18,-2.5 -2,-0.6 6,-0.3 -0.785 15.1-144.8 -90.3 133.7 23.4 -5.7 -0.7 60 60 A D > - 0 0 66 4,-2.5 3,-2.1 -2,-0.4 -1,-0.1 -0.056 39.6 -76.3 -85.1-169.7 25.2 -2.3 -1.2 61 61 A K T 3 S+ 0 0 167 1,-0.3 -21,-0.1 2,-0.1 -1,-0.0 0.594 132.3 54.4 -71.0 -10.2 23.9 1.2 -0.8 62 62 A D T 3 S- 0 0 136 2,-0.2 -25,-0.4 -23,-0.1 -1,-0.3 0.262 121.2-107.9 -99.5 7.3 22.1 0.9 -4.2 63 63 A G S < S+ 0 0 6 -3,-2.1 -25,-2.2 1,-0.2 2,-0.5 0.699 76.5 135.8 76.9 19.3 20.3 -2.2 -3.0 64 64 A V - 0 0 31 -28,-0.2 -4,-2.5 -27,-0.2 2,-0.5 -0.872 35.4-169.7-109.6 129.8 22.4 -4.4 -5.2 65 65 A A E -E 35 0A 0 -30,-2.9 -30,-2.1 -2,-0.5 2,-0.4 -0.969 9.7-155.0-117.0 115.6 24.0 -7.7 -4.1 66 66 A D E -E 34 0A 91 -2,-0.5 2,-0.5 -8,-0.5 -8,-0.4 -0.734 12.2-152.9 -87.5 140.1 26.4 -9.4 -6.4 67 67 A V E +E 33 0A 3 -34,-2.9 -34,-2.2 -2,-0.4 2,-0.1 -0.962 29.0 153.0-120.2 127.9 26.7 -13.1 -6.0 68 68 A S E +E 32 0A 66 -2,-0.5 2,-0.3 -36,-0.2 -36,-0.2 -0.566 21.6 148.8-154.0 90.0 29.8 -15.2 -6.8 69 69 A I E -E 31 0A 43 -38,-2.8 -38,-3.1 -2,-0.1 2,-0.5 -0.863 35.0-151.5-123.6 143.2 30.1 -18.5 -4.8 70 70 A E E -E 30 0A 127 -2,-0.3 2,-0.4 -40,-0.2 -40,-0.2 -0.992 22.9-176.9-112.3 129.5 31.5 -21.9 -5.4 71 71 A D E -E 29 0A 27 -42,-2.8 -42,-3.0 -2,-0.5 -2,-0.0 -0.989 22.5-174.4-129.6 131.1 29.7 -24.6 -3.3 72 72 A S S S+ 0 0 95 -2,-0.4 -1,-0.1 -44,-0.2 -42,-0.1 0.398 80.2 67.6-103.9 0.9 30.5 -28.3 -3.2 73 73 A V S S+ 0 0 105 -20,-0.1 -1,-0.1 -44,-0.1 -21,-0.0 0.896 91.4 62.5 -81.4 -50.6 27.5 -29.2 -1.1 74 74 A I - 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