==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 22-JUL-04 1U3N . COMPND 2 MOLECULE: HYPOTHETICAL SUPEROXIDE DISMUTASE-LIKE PROTEIN . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR L.BANCI,I.BERTINI,V.CALDERONE,F.CRAMARO,R.DEL CONTE, . 162 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12200.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 52 32.1 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 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 . 2 1.2 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 . 31 19.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 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 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 35 A V 0 0 196 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -75.6 -18.9 -18.5 -6.5 2 36 A V - 0 0 122 2,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.909 360.0-144.1-136.1 162.2 -17.3 -15.1 -6.5 3 37 A E - 0 0 175 -2,-0.3 2,-0.3 0, 0.0 0, 0.0 -0.664 7.9-148.1-120.4 176.1 -17.4 -12.0 -4.3 4 38 A T - 0 0 137 -2,-0.2 -2,-0.0 1,-0.1 0, 0.0 -0.975 19.9-107.0-145.7 156.4 -17.2 -8.2 -4.9 5 39 A S - 0 0 49 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 -0.002 25.5-127.9 -71.4-177.1 -15.9 -5.1 -3.1 6 40 A A S S+ 0 0 78 1,-0.2 -1,-0.1 2,-0.0 21,-0.1 0.801 78.1 20.0 -97.1 -89.0 -18.1 -2.5 -1.5 7 41 A F S S- 0 0 108 19,-0.3 -1,-0.2 1,-0.1 2,-0.2 -0.251 72.3-140.3 -79.6 170.7 -17.4 1.0 -2.6 8 42 A G + 0 0 52 1,-0.1 18,-0.1 -3,-0.1 -1,-0.1 -0.592 61.8 61.7-122.3-176.0 -15.6 2.1 -5.8 9 43 A H + 0 0 167 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.959 66.2 145.4 58.0 92.0 -13.0 4.6 -6.9 10 44 A H - 0 0 44 15,-0.1 2,-0.9 -3,-0.1 -1,-0.2 -0.935 56.9 -90.7-149.7 168.8 -9.9 3.9 -4.9 11 45 A V - 0 0 11 -2,-0.3 13,-0.5 142,-0.2 2,-0.1 -0.774 43.5-140.0 -90.1 104.4 -6.1 4.0 -5.1 12 46 A Q - 0 0 88 -2,-0.9 2,-0.7 11,-0.2 140,-0.3 -0.393 7.0-145.7 -65.1 136.7 -5.0 0.6 -6.3 13 47 A L + 0 0 8 -2,-0.1 9,-0.9 138,-0.1 2,-0.3 -0.876 36.2 149.5-110.1 99.2 -1.9 -0.7 -4.6 14 48 A V B -A 21 0A 37 -2,-0.7 2,-0.4 138,-0.3 7,-0.2 -0.929 28.2-154.1-129.6 153.2 0.2 -2.7 -7.1 15 49 A N > - 0 0 13 5,-1.3 4,-1.0 -2,-0.3 117,-0.1 -0.964 22.1-134.9-129.2 145.2 3.9 -3.4 -7.5 16 50 A R T 4 S+ 0 0 200 -2,-0.4 -1,-0.1 2,-0.1 129,-0.0 0.779 112.6 8.5 -65.7 -27.6 5.9 -4.3 -10.5 17 51 A E T 4 S+ 0 0 56 -3,-0.0 -1,-0.1 28,-0.0 118,-0.1 0.659 117.0 73.8-119.6 -40.5 7.7 -6.9 -8.4 18 52 A G T 4 S- 0 0 2 1,-0.2 26,-0.2 30,-0.1 29,-0.1 0.833 86.6-144.9 -44.4 -39.2 5.7 -6.9 -5.2 19 53 A K < + 0 0 149 -4,-1.0 -1,-0.2 1,-0.3 -3,-0.1 0.218 48.0 146.4 88.3 -13.6 3.0 -8.7 -7.2 20 54 A A + 0 0 0 28,-0.1 -5,-1.3 1,-0.1 -1,-0.3 -0.207 17.7 162.9 -55.5 145.4 0.4 -6.9 -5.1 21 55 A V B +A 14 0A 78 20,-2.1 -7,-0.2 -7,-0.2 21,-0.1 0.028 34.1 116.5-155.6 27.9 -2.7 -6.0 -6.9 22 56 A G - 0 0 3 -9,-0.9 2,-0.3 19,-0.6 18,-0.2 0.558 49.9-140.6 -73.3-134.5 -5.2 -5.2 -4.1 23 57 A F - 0 0 76 16,-0.4 2,-1.6 -11,-0.2 16,-0.8 -0.917 26.8 -84.3 174.4 162.7 -6.7 -1.8 -3.6 24 58 A I E -B 38 0B 8 -13,-0.5 2,-1.3 -2,-0.3 14,-0.2 -0.654 45.6-175.9 -86.5 84.8 -7.8 0.8 -1.1 25 59 A E E -B 37 0B 29 -2,-1.6 12,-2.1 12,-0.9 2,-0.5 -0.701 5.5-177.7 -86.6 93.4 -11.2 -0.6 -0.2 26 60 A I + 0 0 7 -2,-1.3 -19,-0.3 10,-0.2 2,-0.3 -0.815 12.7 179.9 -96.5 129.2 -12.6 2.0 2.2 27 61 A K - 0 0 108 -2,-0.5 87,-0.1 8,-0.1 -2,-0.1 -0.631 25.5-140.5-128.6 72.0 -16.0 1.4 3.7 28 62 A E - 0 0 63 -2,-0.3 86,-0.1 85,-0.2 2,-0.1 0.098 27.4-177.2 -31.0 137.8 -16.8 4.3 5.9 29 63 A S - 0 0 30 3,-0.1 -1,-0.1 7,-0.0 6,-0.1 -0.136 27.5-114.4-119.0-145.6 -18.5 3.2 9.1 30 64 A D S S+ 0 0 115 -2,-0.1 4,-0.1 2,-0.1 3,-0.0 -0.451 79.3 71.1-165.1 80.2 -20.0 4.9 12.1 31 65 A D S S- 0 0 141 2,-0.1 2,-0.3 1,-0.1 4,-0.1 0.145 94.5 -29.4-152.5 -79.2 -18.2 4.2 15.4 32 66 A E S S- 0 0 165 2,-0.2 2,-0.3 73,-0.1 -3,-0.1 -0.986 100.5 -21.7-155.1 155.9 -14.8 5.7 16.0 33 67 A G S S- 0 0 24 -2,-0.3 80,-0.5 75,-0.2 2,-0.3 -0.203 112.3 -37.8 45.8-100.3 -11.7 6.8 14.2 34 68 A L - 0 0 23 -2,-0.3 -2,-0.2 78,-0.1 73,-0.2 -0.885 37.0-164.7-145.4 173.7 -12.2 4.8 11.0 35 69 A D + 0 0 59 -2,-0.3 70,-0.2 71,-0.1 -8,-0.1 -0.062 42.9 136.8-156.1 37.0 -13.3 1.4 9.8 36 70 A I - 0 0 5 68,-0.5 -10,-0.2 -10,-0.1 2,-0.2 -0.311 54.2-128.7 -84.2 171.3 -12.0 1.1 6.3 37 71 A H E +B 25 0B 46 -12,-2.1 2,-1.3 66,-0.1 -12,-0.9 -0.544 37.8 163.8-121.4 63.5 -10.4 -1.9 4.7 38 72 A I E +B 24 0B 29 66,-0.2 66,-0.4 -2,-0.2 2,-0.3 -0.695 26.6 125.0 -85.8 92.9 -7.2 -0.5 3.3 39 73 A S - 0 0 6 -2,-1.3 -16,-0.4 -16,-0.8 -14,-0.2 -0.920 45.7-146.5-155.0 124.1 -5.1 -3.6 2.7 40 74 A A - 0 0 7 -2,-0.3 62,-0.3 -18,-0.2 2,-0.3 -0.272 19.7-178.9 -82.7 172.9 -3.5 -4.9 -0.5 41 75 A N + 0 0 52 -28,-0.3 -20,-2.1 1,-0.2 -19,-0.6 -0.859 44.6 81.3-155.6-173.3 -3.0 -8.5 -1.4 42 76 A S S S+ 0 0 45 -2,-0.3 -1,-0.2 -22,-0.2 2,-0.1 0.973 71.1 121.3 66.2 57.1 -1.6 -10.8 -4.1 43 77 A L + 0 0 19 -23,-0.1 -1,-0.1 -3,-0.1 -24,-0.1 -0.315 36.2 176.2-124.8-152.7 1.9 -10.7 -2.8 44 78 A R + 0 0 232 1,-0.7 -1,-0.1 -26,-0.2 -25,-0.1 -0.061 57.8 76.3 177.7 -57.5 4.5 -13.2 -1.6 45 79 A P S S- 0 0 40 0, 0.0 2,-1.7 0, 0.0 -1,-0.7 -0.303 90.3-103.3 -75.0 161.2 7.9 -11.5 -0.9 46 80 A G S S+ 0 0 44 90,-0.2 89,-0.2 50,-0.1 2,-0.2 -0.234 79.3 129.8 -79.6 48.3 8.5 -9.4 2.2 47 81 A A - 0 0 2 -2,-1.7 2,-0.2 -29,-0.1 88,-0.1 -0.455 59.3-105.1 -97.3 172.5 8.2 -6.3 0.2 48 82 A S - 0 0 8 47,-0.2 47,-0.2 -2,-0.2 -28,-0.1 -0.630 16.5-161.9 -98.1 157.7 6.1 -3.2 0.8 49 83 A L - 0 0 4 45,-1.0 2,-0.2 1,-0.4 -9,-0.2 -0.466 66.7 -31.7-137.1 61.3 2.9 -2.2 -1.0 50 84 A G - 0 0 3 80,-0.3 -1,-0.4 82,-0.1 2,-0.3 -0.514 62.6-120.3 116.5 175.1 2.5 1.5 -0.3 51 85 A F - 0 0 25 -2,-0.2 3,-0.2 1,-0.1 79,-0.1 -0.933 33.4 -74.3-149.3 169.6 3.3 3.9 2.5 52 86 A H S S- 0 0 126 -2,-0.3 2,-0.8 1,-0.2 78,-0.4 -0.057 80.4 -56.9 -60.6 168.3 1.7 6.4 5.0 53 87 A I S S+ 0 0 72 1,-0.1 -1,-0.2 76,-0.1 76,-0.2 -0.303 90.6 126.9 -52.4 97.0 0.5 9.7 3.8 54 88 A Y + 0 0 102 -2,-0.8 2,-0.3 -3,-0.2 -1,-0.1 -0.298 42.8 78.8-156.0 59.7 3.7 11.0 2.3 55 89 A E - 0 0 34 70,-0.2 2,-0.8 13,-0.1 13,-0.1 -0.965 69.7-118.2-165.6 151.4 3.1 12.1 -1.3 56 90 A K S > S- 0 0 82 11,-0.5 4,-0.5 -2,-0.3 69,-0.1 -0.857 81.3 -31.7-100.5 105.8 1.8 15.0 -3.3 57 91 A G T 4 S- 0 0 14 -2,-0.8 2,-1.0 1,-0.1 3,-0.5 0.442 85.5 -76.2 63.4 149.8 -1.2 13.8 -5.4 58 92 A S T 4 S- 0 0 48 1,-0.3 -1,-0.1 96,-0.3 94,-0.1 -0.708 103.8 -34.3 -83.7 103.0 -1.5 10.3 -6.8 59 93 A a T 4 S+ 0 0 93 -2,-1.0 -1,-0.3 2,-0.1 -2,-0.1 0.946 116.3 106.8 47.5 58.8 0.8 10.2 -9.8 60 94 A V < + 0 0 88 -4,-0.5 -2,-0.1 -3,-0.5 -1,-0.1 0.070 64.1 62.8-150.1 21.6 0.1 13.9 -10.5 61 95 A R - 0 0 140 -4,-0.2 -1,-0.2 1,-0.1 -2,-0.1 -0.886 50.8-173.7-157.1 120.5 3.3 15.5 -9.4 62 96 A P - 0 0 116 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.952 60.9 -61.0 -75.0 -88.3 6.8 15.1 -10.8 63 97 A D S S+ 0 0 118 5,-0.0 3,-0.1 0, 0.0 4,-0.1 -0.606 98.9 77.8-170.9 102.1 9.3 17.0 -8.6 64 98 A F S S+ 0 0 194 -2,-0.2 2,-1.4 1,-0.0 3,-0.3 0.078 76.4 62.4-167.4 -63.6 9.2 20.8 -8.1 65 99 A E S S- 0 0 125 1,-0.3 -1,-0.0 2,-0.1 -9,-0.0 -0.683 130.2 -41.2 -87.0 89.3 6.6 22.0 -5.6 66 100 A S - 0 0 92 -2,-1.4 -1,-0.3 -3,-0.1 3,-0.2 0.951 61.2-145.3 53.0 92.4 7.7 20.3 -2.4 67 101 A A + 0 0 60 -3,-0.3 2,-0.9 1,-0.2 -11,-0.5 0.946 29.4 178.7 -48.2 -59.0 8.7 16.8 -3.4 68 102 A G + 0 0 48 -13,-0.1 -1,-0.2 2,-0.1 -13,-0.1 -0.809 27.1 121.8 95.2-104.3 7.4 15.4 -0.1 69 103 A G S S- 0 0 18 -2,-0.9 -14,-0.1 -3,-0.2 -1,-0.0 0.102 76.8 -31.7 38.1-154.1 7.9 11.7 -0.1 70 104 A P - 0 0 46 0, 0.0 2,-0.2 0, 0.0 19,-0.1 0.164 68.9-112.6 -75.0-162.6 10.0 10.2 2.7 71 105 A F + 0 0 145 17,-0.3 -2,-0.0 2,-0.1 0, 0.0 -0.732 65.7 42.6-129.3 177.7 12.9 11.9 4.5 72 106 A N S S- 0 0 97 -2,-0.2 0, 0.0 17,-0.0 0, 0.0 0.279 87.1 -71.7 65.1 160.2 16.6 11.5 4.9 73 107 A P - 0 0 92 0, 0.0 15,-0.1 0, 0.0 -2,-0.1 -0.029 63.9 -73.7 -75.0-176.6 19.0 10.7 2.0 74 108 A L + 0 0 167 2,-0.1 -3,-0.1 0, 0.0 0, 0.0 0.930 64.1 165.6 -40.7 -72.2 19.3 7.4 0.2 75 109 A N - 0 0 65 1,-0.2 2,-0.6 2,-0.1 12,-0.1 0.941 13.1-174.8 47.0 89.8 21.1 5.7 3.1 76 110 A K + 0 0 184 1,-0.1 -1,-0.2 10,-0.0 -2,-0.1 -0.687 51.2 90.1-116.0 75.1 20.8 2.0 2.1 77 111 A E - 0 0 109 -2,-0.6 9,-0.1 8,-0.0 -1,-0.1 0.591 51.2-173.6-127.6 -63.0 22.3 0.2 5.1 78 112 A H - 0 0 117 7,-0.2 2,-0.4 1,-0.2 8,-0.1 0.926 9.9-177.4 56.2 99.0 19.7 -0.6 7.7 79 113 A G > - 0 0 24 1,-0.1 3,-0.7 3,-0.1 7,-0.2 -0.950 29.8-149.4-134.1 113.0 21.6 -2.0 10.7 80 114 A F T 3 S- 0 0 186 -2,-0.4 -1,-0.1 1,-0.3 6,-0.1 0.773 99.7 -6.8 -46.4 -29.3 19.7 -3.3 13.8 81 115 A N T 3 S+ 0 0 158 -3,-0.1 -1,-0.3 4,-0.0 0, 0.0 -0.407 92.6 142.0-171.9 83.7 22.8 -2.2 15.7 82 116 A N < - 0 0 105 -3,-0.7 4,-0.1 4,-0.1 -3,-0.1 -0.741 58.8-112.6-123.7 171.8 25.8 -1.0 13.6 83 117 A P S S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.749 118.1 46.5 -75.0 -25.7 28.4 1.8 14.0 84 118 A M S S- 0 0 139 1,-0.0 -7,-0.0 -7,-0.0 -6,-0.0 0.916 95.8-162.9 -80.6 -48.7 27.0 3.6 11.0 85 119 A G - 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