==== 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 METAL BINDING PROTEIN 06-NOV-09 3KKY . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [MN]; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR L.GOVINDASAMY,R.MIKULSKI,M.A.MCKENNA,D.N.SILVERMAN,R.MCKENNA . 408 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17812.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 69.6 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 . 38 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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-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 . 13 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 40.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.9 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 6 0 0 0 2 2 0 4 0 2 2 0 0 0 0 2 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 . 2 0 0 0 0 2 0 2 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 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 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 88 0, 0.0 2,-0.1 0, 0.0 48,-0.0 0.000 360.0 360.0 360.0 -95.9 26.6 -11.1 -0.3 2 2 A Y - 0 0 19 33,-0.2 2,-0.3 34,-0.0 37,-0.1 -0.429 360.0-162.5 -71.5 150.1 26.0 -9.1 -3.5 3 3 A T - 0 0 109 -2,-0.1 -1,-0.0 36,-0.0 29,-0.0 -0.938 30.2 -98.6-129.1 157.7 26.8 -5.4 -3.5 4 4 A L - 0 0 30 -2,-0.3 28,-0.0 1,-0.1 23,-0.0 -0.651 46.4-128.0 -73.8 120.4 25.7 -2.6 -5.8 5 5 A P - 0 0 39 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.320 18.0-113.1 -68.8 149.8 28.6 -2.0 -8.3 6 6 A Q - 0 0 158 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.606 35.5-110.4 -74.3 142.4 30.1 1.4 -8.8 7 7 A L - 0 0 27 -2,-0.3 -1,-0.1 1,-0.1 4,-0.1 -0.485 14.6-131.4 -71.2 145.1 29.5 2.8 -12.3 8 8 A P S S+ 0 0 84 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.399 89.2 24.4 -75.6 4.6 32.6 3.1 -14.5 9 9 A Y S S- 0 0 34 79,-0.1 -2,-0.1 5,-0.0 2,-0.1 -0.938 96.8 -75.8-160.1 168.2 31.6 6.8 -15.3 10 10 A A > - 0 0 58 -2,-0.3 3,-2.1 1,-0.1 4,-0.3 -0.330 45.6-109.0 -72.1 158.7 29.6 9.7 -13.9 11 11 A Y T 3 S+ 0 0 73 1,-0.3 3,-0.4 2,-0.1 12,-0.2 0.789 120.4 45.8 -60.0 -27.2 25.8 9.7 -14.1 12 12 A D T > S+ 0 0 101 1,-0.2 3,-1.2 2,-0.1 -1,-0.3 0.311 82.2 101.6 -97.2 9.4 25.9 12.4 -16.8 13 13 A A T < S+ 0 0 14 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.1 0.742 80.1 51.0 -67.5 -19.8 28.6 10.8 -18.9 14 14 A L T >> S+ 0 0 1 -3,-0.4 4,-1.6 -4,-0.3 3,-1.1 0.348 89.1 165.2-103.2 5.6 26.1 9.4 -21.5 15 15 A E T <4 + 0 0 88 -3,-1.2 4,-0.1 1,-0.3 -3,-0.0 -0.319 54.9 17.4 -61.6 147.3 24.2 12.6 -22.2 16 16 A P T 34 S+ 0 0 91 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.966 125.2 53.9 -90.5 7.4 22.3 13.4 -24.4 17 17 A H T <4 S+ 0 0 51 -3,-1.1 2,-0.4 1,-0.3 -2,-0.2 0.904 125.9 16.9 -68.3 -46.6 21.7 9.7 -25.4 18 18 A I S < S- 0 0 7 -4,-1.6 -1,-0.3 169,-0.1 -4,-0.2 -0.999 92.6-122.6-127.7 129.4 20.7 8.6 -21.9 19 19 A D > - 0 0 18 -2,-0.4 4,-2.2 -3,-0.2 5,-0.1 -0.345 12.2-125.6 -75.8 146.7 19.8 11.3 -19.4 20 20 A A H > S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.801 107.6 57.3 -57.8 -36.8 21.5 11.7 -16.1 21 21 A R H > S+ 0 0 137 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.940 108.2 46.8 -67.2 -44.5 18.3 11.5 -14.0 22 22 A T H > S+ 0 0 2 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.936 109.4 54.1 -59.3 -47.7 17.5 8.1 -15.5 23 23 A M H X S+ 0 0 2 -4,-2.2 4,-2.1 -12,-0.2 5,-0.2 0.917 111.0 46.9 -54.1 -42.8 21.0 6.8 -14.9 24 24 A E H X S+ 0 0 104 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.931 117.4 40.0 -67.0 -48.0 20.8 7.8 -11.2 25 25 A I H X>S+ 0 0 21 -4,-2.3 5,-1.9 2,-0.2 4,-1.9 0.914 114.4 54.0 -66.7 -43.9 17.4 6.3 -10.6 26 26 A H H <>S+ 0 0 3 -4,-3.4 5,-2.4 -5,-0.3 -2,-0.2 0.915 119.6 33.9 -58.6 -39.7 18.2 3.2 -12.7 27 27 A H H <>S+ 0 0 3 -4,-2.1 5,-1.2 -5,-0.3 -2,-0.2 0.974 125.8 34.6 -80.7 -55.6 21.3 2.5 -10.6 28 28 A T H <5S+ 0 0 46 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.588 132.5 24.7 -82.3 -13.3 20.5 3.6 -7.1 29 29 A K T X5S+ 0 0 97 -4,-1.9 4,-1.7 -5,-0.3 -3,-0.2 0.743 128.0 31.1-113.8 -66.0 16.8 2.6 -7.1 30 30 A H H >< S+ 0 0 152 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.929 112.4 45.7 -56.0 -47.0 17.3 -11.5 1.3 41 41 A A H 3< S+ 0 0 11 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.792 112.9 50.0 -67.5 -28.4 16.6 -14.7 -0.7 42 42 A L H >< S+ 0 0 2 -4,-1.8 3,-1.4 -3,-0.1 6,-0.4 0.545 78.0 133.4 -92.3 -6.9 20.2 -16.0 -0.5 43 43 A E T << S- 0 0 135 -4,-1.0 3,-0.1 -3,-0.6 4,-0.0 -0.122 78.2 -2.4 -51.1 126.8 20.7 -15.7 3.3 44 44 A G T 3 S+ 0 0 91 1,-0.2 2,-0.3 2,-0.0 -1,-0.3 0.817 103.8 121.4 62.9 28.5 22.2 -18.6 5.1 45 45 A T S X S- 0 0 40 -3,-1.4 3,-0.9 1,-0.0 -1,-0.2 -0.822 75.8-118.0-116.5 164.1 22.4 -20.8 2.0 46 46 A E T 3 S+ 0 0 166 -2,-0.3 3,-0.4 1,-0.2 4,-0.1 0.536 112.6 63.8 -72.3 -8.6 25.4 -22.4 0.3 47 47 A F T > S+ 0 0 14 -5,-0.2 3,-1.5 1,-0.2 -1,-0.2 0.618 73.8 90.9 -90.6 -14.3 24.6 -20.3 -2.7 48 48 A A T < S+ 0 0 18 -3,-0.9 -1,-0.2 -6,-0.4 -2,-0.1 0.598 87.7 47.3 -61.2 -16.6 25.2 -16.9 -1.0 49 49 A D T 3 S+ 0 0 150 -3,-0.4 -1,-0.3 -4,-0.1 -2,-0.1 0.470 83.5 108.0-108.5 -6.5 28.9 -16.8 -2.0 50 50 A L S < S- 0 0 51 -3,-1.5 -3,-0.0 1,-0.1 5,-0.0 -0.468 80.6-102.4 -70.7 141.3 28.7 -17.7 -5.7 51 51 A P >> - 0 0 89 0, 0.0 4,-2.1 0, 0.0 3,-1.0 -0.394 37.4-116.3 -55.2 142.8 29.4 -15.0 -8.3 52 52 A V H 3> S+ 0 0 17 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.822 112.7 57.0 -57.8 -35.6 25.9 -14.0 -9.7 53 53 A E H 34 S+ 0 0 70 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.764 109.5 47.3 -69.6 -26.6 26.6 -15.2 -13.3 54 54 A Q H X4 S+ 0 0 83 -3,-1.0 3,-1.1 2,-0.1 4,-0.3 0.890 108.6 54.3 -74.9 -43.3 27.4 -18.7 -11.9 55 55 A L H >< S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.899 103.3 54.4 -56.9 -44.8 24.3 -18.7 -9.7 56 56 A I T 3< S+ 0 0 1 -4,-2.1 3,-0.4 1,-0.3 -1,-0.2 0.647 102.4 59.6 -71.9 -10.0 21.9 -18.0 -12.6 57 57 A Q T < S+ 0 0 90 -3,-1.1 -1,-0.3 -4,-0.2 -2,-0.2 0.520 107.9 46.2 -85.5 -6.3 23.3 -21.0 -14.4 58 58 A Q X> + 0 0 49 -3,-1.9 3,-2.3 -4,-0.3 4,-0.6 -0.024 63.7 130.4-126.2 28.4 22.2 -23.3 -11.6 59 59 A L T 34 S+ 0 0 2 -3,-0.4 3,-0.2 1,-0.3 -1,-0.1 0.670 71.0 64.3 -64.0 -14.8 18.7 -22.2 -10.8 60 60 A D T 34 S+ 0 0 117 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.639 99.1 53.6 -77.6 -16.4 17.6 -25.9 -11.0 61 61 A R T <4 S+ 0 0 184 -3,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.618 88.6 93.9 -94.8 -18.1 19.8 -26.8 -8.0 62 62 A V S < S- 0 0 10 -4,-0.6 5,-0.1 -3,-0.2 -3,-0.0 -0.314 95.7 -77.1 -75.3 158.3 18.4 -24.2 -5.6 63 63 A P >> - 0 0 60 0, 0.0 3,-2.0 0, 0.0 4,-0.7 -0.298 45.4-119.0 -53.7 140.4 15.5 -25.0 -3.1 64 64 A A G >4 S+ 0 0 95 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.823 111.4 56.6 -54.3 -35.2 12.2 -25.1 -5.1 65 65 A D G 34 S+ 0 0 132 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.592 108.4 46.9 -76.4 -11.8 10.7 -22.2 -3.0 66 66 A K G <> S+ 0 0 59 -3,-2.0 4,-2.2 2,-0.1 5,-0.2 0.478 85.0 91.1-103.9 -8.2 13.6 -19.8 -3.8 67 67 A K H S+ 0 0 42 -4,-0.4 4,-2.3 1,-0.2 5,-0.2 0.914 112.4 47.1 -66.8 -48.5 11.3 -17.6 -8.5 69 69 A A H > S+ 0 0 40 -4,-0.3 4,-2.8 2,-0.2 5,-0.4 0.885 115.6 46.2 -61.4 -41.9 12.9 -14.9 -6.3 70 70 A L H X>S+ 0 0 3 -4,-2.2 5,-1.5 2,-0.2 4,-1.3 0.902 109.3 53.7 -71.1 -41.0 16.4 -15.7 -7.5 71 71 A R H X5S+ 0 0 83 -4,-2.5 4,-0.6 -5,-0.2 -2,-0.2 0.956 118.7 36.3 -54.2 -49.1 15.4 -15.8 -11.2 72 72 A N H X5S+ 0 0 43 -4,-2.3 4,-1.6 3,-0.2 -2,-0.2 0.923 129.2 30.7 -73.4 -45.1 13.9 -12.3 -10.9 73 73 A N H X5S+ 0 0 19 -4,-2.8 4,-2.3 2,-0.2 -35,-0.2 0.912 123.6 41.1 -88.6 -45.8 16.3 -10.7 -8.5 74 74 A A H X5S+ 0 0 0 -4,-1.3 4,-2.9 -5,-0.4 5,-0.2 0.896 116.5 55.2 -66.9 -36.7 19.7 -12.4 -9.2 75 75 A G H X< S+ 0 0 4 -4,-2.2 3,-0.8 1,-0.2 -1,-0.2 0.862 111.1 50.8 -60.8 -37.7 26.7 -0.6 -17.0 85 85 A Q H 3< S+ 0 0 98 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.759 103.6 56.7 -75.8 -24.8 30.0 -2.2 -18.2 86 86 A I T 3< S+ 0 0 0 -4,-1.6 107,-2.6 -3,-0.4 2,-0.3 0.379 98.8 72.2 -91.3 6.6 29.1 -2.4 -21.9 87 87 A M B < +A 192 0A 3 -3,-0.8 2,-0.3 -4,-0.3 105,-0.2 -0.836 58.0 158.0-113.8 158.5 28.4 1.3 -22.2 88 88 A G 0 0 16 103,-2.4 -79,-0.1 -2,-0.3 106,-0.0 -0.979 360.0 360.0-164.9 164.9 30.9 4.2 -22.2 89 89 A Q 0 0 191 -2,-0.3 -75,-0.1 104,-0.0 102,-0.1 -0.743 360.0 360.0-108.7 360.0 31.6 7.8 -23.2 90 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 91 96 A A 0 0 144 0, 0.0 2,-0.4 0, 0.0 99,-0.1 0.000 360.0 360.0 360.0 156.8 30.6 6.8 -35.7 92 97 A N + 0 0 57 97,-0.0 100,-0.1 101,-0.0 99,-0.1 -0.546 360.0 140.8 -75.7 118.6 30.8 4.2 -33.0 93 98 A Q - 0 0 110 -2,-0.4 101,-0.1 97,-0.1 6,-0.1 -0.985 48.2 -96.8-152.0 160.4 31.4 0.7 -34.3 94 99 A P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 15,-0.1 -0.233 36.1-163.3 -74.8 172.6 33.3 -2.5 -33.5 95 100 A S >> + 0 0 71 99,-0.1 4,-1.5 4,-0.0 3,-0.8 -0.786 42.3 16.0-139.5 179.9 36.7 -3.5 -35.1 96 101 A G H 3> S- 0 0 59 -2,-0.2 4,-2.0 1,-0.2 5,-0.2 -0.070 119.7 -9.0 56.8-142.0 39.0 -6.4 -35.5 97 102 A E H 3> S+ 0 0 106 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.802 133.7 56.8 -65.9 -30.7 37.8 -10.0 -35.0 98 103 A L H <> S+ 0 0 0 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.937 107.1 49.0 -64.6 -44.5 34.4 -8.9 -33.5 99 104 A L H X S+ 0 0 38 -4,-1.5 4,-2.8 1,-0.2 -2,-0.2 0.930 111.3 50.1 -60.9 -42.0 33.6 -6.9 -36.7 100 105 A D H X S+ 0 0 112 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.891 109.5 50.7 -60.9 -40.4 34.6 -9.9 -38.8 101 106 A A H X S+ 0 0 17 -4,-2.1 4,-2.2 2,-0.2 37,-0.2 0.898 110.8 48.9 -64.6 -40.6 32.4 -12.2 -36.7 102 107 A I H X>S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 5,-0.6 0.948 111.2 49.7 -62.4 -48.4 29.4 -9.7 -37.2 103 108 A N H X5S+ 0 0 68 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.918 112.6 48.3 -54.8 -45.9 30.0 -9.6 -40.9 104 109 A S H <5S+ 0 0 106 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.899 119.7 36.2 -62.4 -42.2 30.1 -13.4 -41.1 105 110 A A H <5S+ 0 0 48 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.855 134.7 18.7 -82.5 -36.0 26.9 -13.9 -39.1 106 111 A F H <5S- 0 0 29 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.555 97.2-114.6-118.5 -10.4 24.8 -10.9 -40.2 107 112 A G S < S- 0 0 44 -6,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.960 74.6-100.2-168.3 164.5 27.4 -6.3 -42.2 109 114 A F H > S+ 0 0 11 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.901 123.3 53.4 -60.4 -42.0 27.3 -4.1 -39.1 110 115 A D H > S+ 0 0 102 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.910 109.3 48.2 -60.8 -41.1 24.4 -2.2 -40.5 111 116 A A H > S+ 0 0 30 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.871 110.3 52.0 -65.4 -38.1 22.4 -5.5 -41.0 112 117 A F H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.937 106.7 53.2 -62.4 -44.8 23.3 -6.6 -37.5 113 118 A K H X S+ 0 0 53 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.905 108.1 50.9 -58.1 -43.6 21.9 -3.2 -36.1 114 119 A Q H X S+ 0 0 129 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.949 112.7 45.6 -53.1 -53.6 18.6 -3.8 -38.0 115 120 A K H X S+ 0 0 96 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.847 113.7 48.5 -63.8 -38.8 18.3 -7.3 -36.5 116 121 A F H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.946 112.5 48.3 -69.9 -45.4 19.2 -6.2 -33.0 117 122 A E H X S+ 0 0 42 -4,-2.9 4,-2.7 -5,-0.3 -2,-0.2 0.910 110.0 53.0 -61.2 -41.6 16.7 -3.3 -33.1 118 123 A D H X S+ 0 0 82 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.911 109.3 48.6 -59.4 -43.1 14.0 -5.6 -34.5 119 124 A A H X S+ 0 0 17 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.915 113.9 46.4 -63.6 -42.5 14.5 -8.0 -31.6 120 125 A A H < S+ 0 0 0 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.845 113.2 49.9 -69.2 -35.1 14.4 -5.2 -29.1 121 126 A K H < S+ 0 0 92 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.848 110.3 48.5 -69.0 -36.8 11.3 -3.6 -30.7 122 127 A T H < S+ 0 0 110 -4,-2.0 2,-0.9 -5,-0.2 -1,-0.2 0.553 78.7 109.5 -88.2 -6.2 9.2 -6.8 -30.8 123 128 A R < - 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