==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-OCT-01 1GN2 . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR K.A.BUNTING,J.B.COOPER,I.J.TICKLE,D.B.YOUNG . 1584 8 4 0 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56782.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1184 74.7 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 . 184 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 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 . 64 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 168 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 712 44.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 48 3.0 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 8 0 0 8 0 8 8 8 0 8 0 0 0 0 0 0 0 0 8 0 8 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 . 20 0 0 0 0 0 8 8 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 4 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 2 A A 0 0 120 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 178.9 -2.3 23.0 -41.1 2 3 A E - 0 0 148 1,-0.1 2,-0.3 41,-0.0 38,-0.0 0.017 360.0-101.0 -55.8 170.3 -4.5 20.5 -39.4 3 4 A Y - 0 0 8 33,-0.2 2,-0.4 34,-0.1 -1,-0.1 -0.677 41.3-159.0 -93.3 145.7 -3.3 17.0 -38.3 4 5 A T - 0 0 98 -2,-0.3 29,-0.0 36,-0.0 33,-0.0 -0.990 24.5-111.5-138.3 148.9 -4.2 14.1 -40.5 5 6 A L - 0 0 57 -2,-0.4 28,-0.1 1,-0.1 23,-0.0 -0.624 45.0-134.6 -70.3 111.7 -4.5 10.3 -40.3 6 7 A P - 0 0 39 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.048 14.5-108.7 -68.1 168.5 -1.6 8.9 -42.4 7 8 A D - 0 0 141 1,-0.0 2,-0.1 2,-0.0 0, 0.0 -0.805 31.1-118.0 -99.5 144.6 -1.8 6.1 -44.9 8 9 A L - 0 0 24 -2,-0.4 72,-0.1 2,-0.1 4,-0.1 -0.431 12.0-133.6 -76.2 151.5 -0.2 2.8 -44.1 9 10 A D S S+ 0 0 109 70,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.292 87.4 34.5 -86.2 16.6 2.5 1.6 -46.5 10 11 A W S S- 0 0 38 73,-0.0 2,-0.3 74,-0.0 -2,-0.1 -0.936 92.4 -83.4-155.0 178.0 0.8 -1.7 -46.5 11 12 A D > - 0 0 122 -2,-0.3 3,-1.6 1,-0.1 4,-0.2 -0.688 44.1-114.5 -87.8 145.5 -2.4 -3.7 -46.4 12 13 A Y G > S+ 0 0 63 -2,-0.3 3,-0.7 1,-0.3 12,-0.2 0.825 115.7 49.4 -46.0 -40.9 -3.9 -4.3 -43.0 13 14 A G G > S+ 0 0 24 1,-0.2 3,-2.9 2,-0.1 -1,-0.3 0.661 80.0 97.0 -75.5 -17.9 -3.3 -8.0 -43.4 14 15 A A G < S+ 0 0 39 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.584 79.7 57.9 -47.5 -18.6 0.3 -7.8 -44.5 15 16 A L G X> S+ 0 0 2 -3,-0.7 4,-1.7 4,-0.3 3,-0.6 0.488 82.8 154.4 -98.4 1.1 1.5 -8.6 -41.0 16 17 A E T <4 + 0 0 116 -3,-2.9 4,-0.1 1,-0.3 -3,-0.0 -0.432 58.0 24.6 -65.3 149.5 -0.2 -11.9 -40.4 17 18 A P T 34 S+ 0 0 94 0, 0.0 -1,-0.3 0, 0.0 3,-0.3 -0.985 127.1 47.1 -84.3 -14.4 0.5 -14.0 -38.6 18 19 A H T <4 S+ 0 0 54 -3,-0.6 2,-0.3 1,-0.2 -2,-0.2 0.826 129.6 15.1 -53.1 -40.1 2.5 -11.7 -36.3 19 20 A I S < S- 0 0 2 -4,-1.7 -4,-0.3 -6,-0.1 -1,-0.2 -0.888 86.5-124.3-144.9 112.6 -0.3 -9.1 -36.1 20 21 A S > - 0 0 18 -2,-0.3 4,-1.8 -3,-0.3 5,-0.2 -0.015 15.3-127.7 -52.6 147.0 -3.8 -9.9 -37.3 21 22 A G H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.890 107.7 61.8 -65.7 -39.3 -5.4 -7.7 -39.9 22 23 A Q H > S+ 0 0 98 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.902 105.8 48.3 -54.1 -39.0 -8.5 -7.1 -37.7 23 24 A I H > S+ 0 0 4 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.995 110.1 48.1 -64.2 -60.8 -6.2 -5.5 -35.2 24 25 A N H X S+ 0 0 1 -4,-1.8 4,-2.0 1,-0.2 5,-0.3 0.802 112.8 54.0 -47.7 -33.7 -4.3 -3.2 -37.6 25 26 A E H X S+ 0 0 98 -4,-2.4 4,-2.0 2,-0.2 5,-0.4 0.951 113.0 36.2 -71.0 -51.3 -7.7 -2.2 -39.0 26 27 A L H X>S+ 0 0 21 -4,-2.3 5,-2.0 -3,-0.2 4,-1.6 0.884 117.6 56.6 -69.7 -32.1 -9.4 -1.1 -35.8 27 28 A H H <>S+ 0 0 1 -4,-3.3 5,-2.9 -5,-0.3 6,-0.2 0.922 117.7 30.0 -60.4 -49.9 -6.1 0.3 -34.6 28 29 A H H <>S+ 0 0 11 -4,-2.0 5,-1.0 -5,-0.3 -2,-0.2 0.969 127.2 39.4 -75.7 -58.7 -5.6 2.5 -37.5 29 30 A S H <5S+ 0 0 42 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.616 131.9 20.1 -69.6 -20.9 -9.2 3.4 -38.6 30 31 A K T X5S+ 0 0 99 -4,-1.6 4,-1.5 -5,-0.4 -3,-0.2 0.765 128.5 34.8-115.3 -59.9 -10.6 3.7 -35.1 31 32 A H H >S+ 0 0 10 -4,-1.9 5,-2.2 -5,-0.3 4,-0.5 0.866 110.7 50.2 -69.6 -36.0 -9.9 30.2 -25.5 50 51 A R H <5S+ 0 0 28 -4,-2.6 3,-0.3 3,-0.2 -2,-0.2 0.866 110.2 49.5 -68.9 -39.3 -7.3 32.6 -26.7 51 52 A A H <5S+ 0 0 65 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.946 112.7 45.0 -67.9 -49.3 -9.9 34.8 -28.5 52 53 A K H <5S- 0 0 130 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.576 105.0-128.5 -71.8 -7.3 -12.4 35.0 -25.7 53 54 A E T <5 + 0 0 171 -4,-0.5 2,-0.3 -3,-0.3 -3,-0.2 0.947 68.0 131.5 57.2 50.2 -9.5 35.7 -23.2 54 55 A D < + 0 0 77 -5,-2.2 3,-0.4 -6,-0.1 -1,-0.2 -0.793 24.9 163.7-139.9 89.9 -10.9 32.9 -21.1 55 56 A H > + 0 0 38 -2,-0.3 3,-1.5 1,-0.2 4,-0.2 -0.162 34.4 125.6 -96.6 36.5 -8.4 30.3 -19.9 56 57 A S T 3 S+ 0 0 92 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.870 79.3 41.7 -65.1 -31.0 -10.7 28.9 -17.3 57 58 A A T >> S+ 0 0 27 -3,-0.4 4,-2.6 1,-0.2 3,-0.5 -0.027 74.5 127.9-104.0 32.2 -10.3 25.4 -18.7 58 59 A I H <> + 0 0 5 -3,-1.5 4,-2.8 1,-0.2 5,-0.3 0.902 69.7 56.0 -51.9 -46.9 -6.6 25.6 -19.4 59 60 A L H 3> S+ 0 0 9 -3,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.828 112.4 40.8 -55.7 -41.1 -5.8 22.4 -17.5 60 61 A L H <> S+ 0 0 15 -3,-0.5 4,-2.2 2,-0.2 5,-0.2 0.887 115.1 50.7 -76.7 -41.4 -8.2 20.3 -19.6 61 62 A N H X S+ 0 0 13 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.885 113.6 45.4 -65.1 -38.3 -7.3 22.0 -22.9 62 63 A E H X S+ 0 0 0 -4,-2.8 4,-1.7 -5,-0.3 476,-0.2 0.811 114.6 48.0 -73.7 -29.9 -3.6 21.4 -22.2 63 64 A K H X S+ 0 0 17 -4,-1.2 4,-2.0 -5,-0.3 -2,-0.2 0.788 110.9 50.0 -79.5 -28.9 -4.1 17.9 -21.1 64 65 A N H X S+ 0 0 40 -4,-2.2 4,-2.3 2,-0.2 5,-0.4 0.861 110.9 51.2 -73.8 -37.9 -6.3 17.0 -24.1 65 66 A L H X S+ 0 0 1 -4,-1.5 4,-2.1 -5,-0.2 5,-0.3 0.914 113.2 43.8 -64.5 -46.0 -3.7 18.5 -26.4 66 67 A A H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.908 115.9 46.8 -68.0 -45.2 -0.8 16.5 -24.9 67 68 A F H X S+ 0 0 13 -4,-2.0 4,-1.8 2,-0.2 5,-0.2 0.986 120.0 36.6 -63.5 -56.1 -2.8 13.2 -24.7 68 69 A N H X S+ 0 0 18 -4,-2.3 4,-2.1 2,-0.2 -29,-0.3 0.882 117.0 49.8 -68.7 -36.2 -4.1 13.4 -28.3 69 70 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.4 -1,-0.2 0.907 112.8 51.4 -69.0 -30.7 -1.1 14.9 -29.9 70 71 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.3 -2,-0.2 0.800 107.8 49.2 -71.4 -34.9 0.9 12.2 -28.2 71 72 A G H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.914 113.2 49.2 -72.3 -37.9 -1.2 9.3 -29.4 72 73 A H H X S+ 0 0 4 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.967 110.9 47.8 -62.0 -52.1 -1.0 10.7 -32.9 73 74 A V H X S+ 0 0 11 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.902 113.9 49.7 -56.5 -39.5 2.8 11.1 -32.8 74 75 A N H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 3,-0.2 0.952 112.9 41.4 -67.8 -50.2 3.1 7.7 -31.5 75 76 A H H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.854 107.9 64.1 -67.3 -30.8 1.0 5.7 -33.9 76 77 A T H X S+ 0 0 30 -4,-2.4 4,-0.8 -5,-0.3 -1,-0.2 0.920 111.1 37.1 -55.0 -45.2 2.4 7.8 -36.7 77 78 A I H X S+ 0 0 12 -4,-1.5 4,-2.4 -3,-0.2 -1,-0.2 0.764 109.7 62.3 -77.6 -29.5 5.8 6.3 -36.0 78 79 A W H X S+ 0 0 2 -4,-1.9 4,-0.7 1,-0.2 -2,-0.2 0.960 100.4 52.8 -65.2 -43.8 4.4 2.9 -35.2 79 80 A W H >< S+ 0 0 9 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.891 113.1 45.2 -59.5 -35.0 3.1 2.4 -38.6 80 81 A K H 3< S+ 0 0 81 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.842 104.9 60.1 -77.9 -32.1 6.4 3.2 -40.1 81 82 A N H 3< S+ 0 0 0 -4,-2.4 104,-2.7 107,-0.1 2,-0.3 0.561 98.7 77.8 -71.0 -5.1 8.4 1.1 -37.6 82 83 A L B << +A 184 0A 1 -4,-0.7 102,-0.2 -3,-0.6 3,-0.1 -0.806 55.2 162.4-109.4 149.5 6.5 -1.9 -39.0 83 84 A S > - 0 0 20 100,-2.2 3,-1.8 -2,-0.3 103,-0.1 -0.910 41.8-139.0-169.0 136.1 7.0 -3.9 -42.2 84 85 A P T 3 S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 100,-0.1 0.758 110.4 47.8 -63.0 -23.9 6.1 -7.2 -43.8 85 86 A N T 3 S+ 0 0 160 98,-0.1 98,-0.1 -3,-0.1 99,-0.0 0.130 99.3 92.2-104.8 18.2 9.6 -7.4 -45.2 86 87 A G < + 0 0 23 -3,-1.8 99,-0.2 96,-0.1 2,-0.2 -0.004 36.6 92.6 -94.0-155.8 11.4 -6.6 -42.0 87 88 A G + 0 0 10 97,-2.6 99,-0.2 1,-0.1 2,-0.2 -0.491 49.8 86.0 99.9-174.1 12.8 -8.6 -39.1 88 89 A D S S- 0 0 144 93,-0.2 -1,-0.1 -2,-0.2 96,-0.1 -0.549 87.3 -50.7 80.5-148.1 16.4 -9.7 -38.8 89 90 A K - 0 0 117 -2,-0.2 6,-0.1 1,-0.1 97,-0.0 -0.825 54.1 -90.2-129.5 166.9 18.8 -7.3 -37.2 90 91 A P - 0 0 12 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.201 45.2-145.0 -66.9 164.6 19.9 -3.7 -37.6 91 92 A T > - 0 0 28 95,-0.2 3,-0.9 1124,-0.1 4,-0.4 -0.961 42.4 -15.4-135.8 152.7 22.8 -3.0 -39.9 92 93 A G T 3> S+ 0 0 5 -2,-0.3 4,-2.2 1,-0.2 1124,-0.4 -0.365 120.9 2.4 67.7-142.0 25.7 -0.8 -40.3 93 94 A E H 3> S+ 0 0 20 1122,-0.4 4,-2.0 1,-0.3 -1,-0.2 0.787 132.4 52.7 -46.8 -47.7 26.0 2.4 -38.2 94 95 A L H <> S+ 0 0 0 -3,-0.9 4,-3.0 1,-0.2 -1,-0.3 0.913 109.9 48.7 -61.0 -44.7 22.8 1.7 -36.3 95 96 A A H > S+ 0 0 29 -4,-0.4 4,-2.4 -3,-0.3 5,-0.3 0.901 111.5 47.6 -65.5 -41.2 23.9 -1.8 -35.3 96 97 A A H X S+ 0 0 29 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.888 113.6 51.1 -67.9 -32.0 27.4 -0.7 -34.1 97 98 A A H X S+ 0 0 14 -4,-2.0 4,-2.4 -5,-0.2 5,-0.3 0.985 110.1 47.3 -62.6 -56.9 25.6 2.0 -32.2 98 99 A I H X S+ 0 0 1 -4,-3.0 4,-2.4 1,-0.2 6,-0.3 0.860 113.4 47.7 -52.8 -43.1 23.2 -0.3 -30.5 99 100 A A H X S+ 0 0 38 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.810 112.0 51.0 -72.1 -28.4 25.9 -2.8 -29.5 100 101 A D H < S+ 0 0 139 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.872 117.4 38.0 -78.0 -28.6 28.0 -0.1 -28.2 101 102 A A H < S+ 0 0 30 -4,-2.4 -2,-0.2 1,-0.1 -3,-0.2 0.768 131.0 26.7 -92.8 -25.7 25.2 1.4 -26.1 102 103 A F H < S- 0 0 3 -4,-2.4 2,-1.2 -5,-0.3 -2,-0.2 0.195 105.5-115.5-120.9 18.7 23.5 -1.8 -24.9 103 104 A G S < S+ 0 0 57 -4,-0.9 2,-0.3 4,-0.1 -4,-0.2 -0.216 87.6 2.1 78.8 -43.4 26.5 -4.1 -25.1 104 105 A S S > S- 0 0 37 -2,-1.2 4,-2.1 -6,-0.3 3,-0.4 -0.967 75.7-106.1-167.0 155.4 25.0 -6.2 -27.9 105 106 A F H > S+ 0 0 28 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.856 121.5 55.4 -59.4 -30.1 21.8 -6.4 -30.0 106 107 A D H > S+ 0 0 87 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.906 108.2 45.3 -69.2 -37.0 20.8 -9.2 -27.9 107 108 A K H > S+ 0 0 77 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.815 111.3 52.7 -73.7 -30.4 21.1 -7.3 -24.6 108 109 A F H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.937 109.8 50.6 -64.9 -49.2 19.3 -4.3 -26.0 109 110 A R H X S+ 0 0 75 -4,-2.0 4,-1.2 -5,-0.3 -1,-0.2 0.739 106.5 53.5 -62.6 -26.9 16.6 -6.5 -27.0 110 111 A A H X S+ 0 0 50 -4,-0.9 4,-1.7 2,-0.2 -1,-0.2 0.887 111.7 45.7 -77.5 -36.2 16.3 -8.1 -23.6 111 112 A Q H X S+ 0 0 2 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.950 111.3 50.7 -66.7 -51.0 16.0 -4.8 -21.9 112 113 A F H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.875 110.4 51.0 -54.6 -40.1 13.4 -3.4 -24.4 113 114 A H H X S+ 0 0 39 -4,-1.2 4,-2.1 -5,-0.3 -1,-0.2 0.923 109.5 50.2 -65.0 -40.2 11.3 -6.5 -23.9 114 115 A A H X S+ 0 0 12 -4,-1.7 4,-0.9 1,-0.2 -2,-0.2 0.940 109.3 52.0 -62.3 -47.1 11.5 -6.1 -20.2 115 116 A A H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.818 112.5 44.4 -60.6 -36.2 10.4 -2.4 -20.5 116 117 A A H >< S+ 0 0 1 -4,-1.9 3,-0.7 -5,-0.2 -1,-0.2 0.854 112.2 50.6 -81.8 -32.6 7.4 -3.2 -22.6 117 118 A T H 3< S+ 0 0 25 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.523 106.4 54.0 -82.6 -6.4 6.1 -6.2 -20.6 118 119 A T T 3< S+ 0 0 50 -4,-0.9 -1,-0.2 -3,-0.2 -2,-0.1 0.299 70.3 135.8-110.0 10.0 6.2 -4.5 -17.2 119 120 A V < - 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