==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-DEC-12 4IIP . COMPND 2 MOLECULE: ADENOSINE MONOPHOSPHATE-PROTEIN HYDROLASE SIDD; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA; . AUTHOR I.TASCON,Y.CHEN,M.R.NEUNUEBEL,A.L.ROJAS,M.P.MACHNER,A.HIERRO . 305 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14499.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 69.8 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 . 94 30.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 23.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 1 0 0 1 0 0 1 1 0 1 0 0 0 0 0 1 0 0 1 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 1 2 2 1 4 1 1 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 1 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 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 37 A M 0 0 162 0, 0.0 90,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.5 -0.9 2.7 -40.9 2 38 A R + 0 0 129 305,-0.1 305,-0.1 2,-0.1 2,-0.0 0.711 360.0 92.7 -95.1 -28.0 1.4 -0.1 -42.4 3 39 A S S S- 0 0 19 58,-0.1 2,-0.6 1,-0.1 58,-0.2 -0.347 76.4-125.6 -63.8 148.8 2.5 -1.7 -39.1 4 40 A I E -A 60 0A 17 56,-3.2 56,-2.5 303,-0.0 2,-0.7 -0.897 20.4-155.2 -95.5 118.0 0.5 -4.7 -37.7 5 41 A I E +A 59 0A 51 -2,-0.6 54,-0.3 54,-0.2 3,-0.1 -0.877 19.1 172.4 -96.7 115.3 -0.6 -4.1 -34.1 6 42 A T E + 0 0 6 52,-1.7 2,-0.3 -2,-0.7 53,-0.2 0.750 69.7 15.0 -92.5 -22.9 -1.2 -7.3 -32.2 7 43 A Q E +A 58 0A 15 51,-2.1 51,-3.0 24,-0.1 2,-0.3 -0.992 63.6 167.0-147.5 139.9 -1.8 -5.9 -28.7 8 44 A I E -A 57 0A 57 -2,-0.3 2,-0.4 49,-0.2 49,-0.2 -0.978 10.6-173.2-151.4 141.0 -2.5 -2.4 -27.5 9 45 A C E -A 56 0A 6 47,-2.3 47,-1.4 -2,-0.3 2,-0.9 -0.955 5.3-167.9-137.3 117.1 -3.7 -1.1 -24.2 10 46 A N E -A 55 0A 72 -2,-0.4 45,-0.2 1,-0.2 42,-0.1 -0.772 64.6 -62.0-103.9 78.8 -4.6 2.6 -23.8 11 47 A G - 0 0 5 43,-1.9 2,-0.3 -2,-0.9 -1,-0.2 -0.133 60.8-114.1 76.8-177.4 -4.9 3.0 -20.0 12 48 A V - 0 0 23 40,-0.2 40,-2.5 -3,-0.1 42,-0.1 -0.942 29.4 -96.3-155.8 146.8 -7.4 1.0 -18.1 13 49 A L > - 0 0 97 -2,-0.3 3,-1.9 38,-0.2 38,-0.1 -0.312 49.5 -92.5 -66.3 142.2 -10.4 2.2 -16.0 14 50 A H T 3 S+ 0 0 125 1,-0.3 -1,-0.1 38,-0.0 37,-0.1 -0.174 114.5 22.3 -48.6 140.9 -10.0 2.7 -12.2 15 51 A G T 3 S+ 0 0 84 1,-0.2 2,-0.3 35,-0.2 -1,-0.3 0.475 109.3 98.8 76.3 2.9 -11.1 -0.5 -10.4 16 52 A Q < - 0 0 118 -3,-1.9 20,-0.4 -4,-0.0 2,-0.3 -0.814 54.8-153.0-124.6 154.0 -10.5 -2.8 -13.5 17 53 A S - 0 0 74 -2,-0.3 2,-0.4 18,-0.1 18,-0.2 -0.801 13.3-145.6-114.1 164.3 -7.7 -5.1 -14.8 18 54 A Y E -G 34 0B 75 16,-2.5 16,-2.5 -2,-0.3 2,-0.4 -0.998 14.5-178.7-132.9 129.8 -7.1 -5.9 -18.5 19 55 A Q E -G 33 0B 149 -2,-0.4 14,-0.2 14,-0.2 -2,-0.0 -0.987 12.3-159.6-125.9 118.4 -5.9 -9.2 -19.8 20 56 A S - 0 0 27 12,-2.7 13,-0.1 -2,-0.4 -1,-0.1 0.745 20.1-146.0 -70.5 -30.5 -5.5 -9.1 -23.5 21 57 A G - 0 0 42 11,-0.3 11,-0.3 2,-0.0 2,-0.2 -0.174 37.7 -57.9 75.4-179.7 -5.6 -12.8 -24.4 22 58 A S - 0 0 89 9,-0.1 2,-0.5 7,-0.0 9,-0.1 -0.472 41.7-134.0 -91.3 160.6 -3.4 -14.2 -27.3 23 59 A N > > - 0 0 46 7,-0.4 5,-2.0 -2,-0.2 3,-0.9 -0.980 6.0-149.3-116.9 124.6 -3.6 -13.1 -30.9 24 60 A D G > 5S+ 0 0 145 -2,-0.5 3,-1.6 1,-0.2 -1,-0.1 0.791 90.0 73.0 -64.1 -24.2 -3.6 -15.9 -33.4 25 61 A L G 3 5S+ 0 0 50 1,-0.3 -1,-0.2 2,-0.1 278,-0.1 0.850 109.1 30.2 -60.2 -38.6 -1.7 -13.8 -36.0 26 62 A D G X 5S- 0 0 0 -3,-0.9 3,-1.6 4,-0.1 -1,-0.3 0.049 114.4-111.0-110.5 27.2 1.5 -14.1 -34.1 27 63 A K T < 5S- 0 0 101 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.851 74.8 -54.0 53.2 42.2 0.8 -17.5 -32.5 28 64 A G T 3 - 0 0 57 4,-2.7 3,-2.0 -2,-0.4 234,-0.1 -0.208 45.5 -86.7 -75.4 177.9 -8.5 5.4 5.4 43 79 A E T 3 S+ 0 0 114 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.889 131.2 55.2 -57.8 -42.7 -7.9 5.5 9.2 44 80 A Q T 3 S- 0 0 153 1,-0.1 -1,-0.3 2,-0.1 231,-0.1 0.428 121.5-111.1 -67.9 1.6 -10.2 2.5 9.7 45 81 A G S < S+ 0 0 9 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.726 71.8 139.3 72.3 24.2 -8.0 0.6 7.1 46 82 A K - 0 0 120 1,-0.1 -4,-2.7 229,-0.0 -1,-0.3 -0.769 58.2 -99.8-102.3 153.9 -10.8 0.5 4.4 47 83 A E B M 41 0C 134 -2,-0.3 -6,-0.2 -6,-0.2 -1,-0.1 -0.228 360.0 360.0 -72.0 149.9 -10.2 1.1 0.7 48 84 A I 0 0 138 -8,-1.5 -1,-0.1 -6,-0.0 -8,-0.1 -0.328 360.0 360.0-106.8 360.0 -11.0 4.5 -0.7 49 ! 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 50 88 A K 0 0 190 0, 0.0 -35,-0.2 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 113.5 -8.3 7.6 -11.2 51 89 A D - 0 0 42 1,-0.1 2,-0.2 -37,-0.1 -38,-0.2 -0.175 360.0 -96.3 -74.0 157.2 -7.6 6.0 -14.5 52 90 A S - 0 0 5 -40,-2.5 -40,-0.2 1,-0.1 -1,-0.1 -0.544 20.9-160.8 -70.6 147.5 -4.3 4.5 -15.6 53 91 A D + 0 0 13 -2,-0.2 20,-2.8 20,-0.2 2,-0.3 0.095 56.1 111.2-112.0 20.4 -2.0 6.6 -17.7 54 92 A D E - B 0 72A 6 18,-0.2 -43,-1.9 -42,-0.1 2,-0.3 -0.682 42.5-174.4 -95.6 152.1 0.1 3.7 -19.0 55 93 A K E -AB 10 71A 0 16,-2.3 16,-2.6 -2,-0.3 2,-0.4 -0.996 6.0-174.5-145.7 134.4 0.1 2.5 -22.6 56 94 A I E -AB 9 70A 0 -47,-1.4 -47,-2.3 -2,-0.3 2,-0.4 -0.995 2.0-172.4-126.0 141.4 1.7 -0.5 -24.3 57 95 A V E -AB 8 69A 0 12,-2.1 12,-2.5 -2,-0.4 2,-0.4 -1.000 3.6-178.6-128.6 130.6 1.7 -1.3 -28.0 58 96 A I E +AB 7 68A 0 -51,-3.0 -51,-2.1 -2,-0.4 -52,-1.7 -0.995 26.1 109.8-128.8 137.3 3.1 -4.6 -29.4 59 97 A G E -AB 5 67A 0 8,-1.9 8,-2.8 -2,-0.4 2,-0.4 -0.917 53.2 -90.5-174.7-158.7 3.2 -5.4 -33.1 60 98 A Y E -AB 4 66A 0 -56,-2.5 -56,-3.2 -2,-0.3 6,-0.2 -0.987 30.4-120.2-141.0 138.8 5.3 -6.0 -36.2 61 99 A T > - 0 0 0 4,-2.9 3,-2.5 -2,-0.4 243,-0.1 -0.281 43.8 -94.6 -67.5 168.2 6.5 -3.7 -38.9 62 100 A K T 3 S+ 0 0 69 1,-0.3 242,-0.2 2,-0.1 243,-0.1 0.723 128.8 58.0 -55.6 -18.7 5.4 -4.3 -42.6 63 101 A D T 3 S- 0 0 41 2,-0.1 -1,-0.3 241,-0.1 238,-0.2 0.291 123.5-105.0 -92.4 11.6 8.7 -6.2 -42.8 64 102 A G S < S+ 0 0 0 -3,-2.5 2,-0.4 1,-0.3 -2,-0.1 0.589 70.3 146.7 81.2 10.2 7.9 -8.5 -40.1 65 103 A M - 0 0 6 73,-0.1 -4,-2.9 1,-0.1 -1,-0.3 -0.646 44.1-129.0 -90.2 134.7 10.1 -7.0 -37.4 66 104 A A E +B 60 0A 1 -2,-0.4 72,-2.1 -6,-0.2 2,-0.3 -0.515 28.8 179.7 -87.4 141.0 8.7 -7.2 -33.9 67 105 A F E -BC 59 137A 1 -8,-2.8 -8,-1.9 70,-0.2 2,-0.4 -0.994 16.2-164.4-137.1 154.8 8.4 -4.1 -31.6 68 106 A Q E -BC 58 136A 0 68,-1.6 68,-1.9 -2,-0.3 2,-0.4 -0.999 5.1-166.9-134.0 135.7 7.2 -3.2 -28.1 69 107 A I E -BC 57 135A 1 -12,-2.5 -12,-2.1 -2,-0.4 2,-0.5 -0.996 2.9-169.2-123.4 128.0 6.5 0.3 -26.8 70 108 A V E +BC 56 134A 0 64,-2.7 64,-2.3 -2,-0.4 2,-0.4 -0.976 12.4 175.2-123.4 118.3 6.1 0.9 -23.1 71 109 A V E -BC 55 133A 0 -16,-2.6 -16,-2.3 -2,-0.5 2,-0.4 -0.978 17.3-172.2-131.8 136.7 4.8 4.3 -21.9 72 110 A A E -BC 54 132A 12 60,-2.1 60,-2.4 -2,-0.4 -18,-0.2 -0.955 19.4-144.9-130.3 114.4 3.8 5.8 -18.6 73 111 A G E - C 0 131A 13 -20,-2.8 58,-0.2 -2,-0.4 -20,-0.2 -0.454 5.3-142.6 -76.3 149.6 2.2 9.3 -18.6 74 112 A F S S+ 0 0 56 56,-2.0 2,-0.4 1,-0.2 -1,-0.1 0.897 78.4 34.6 -71.9 -48.0 2.8 11.8 -15.8 75 113 A Y > - 0 0 130 55,-0.4 3,-1.6 1,-0.1 4,-0.4 -0.941 64.5-139.0-127.4 135.2 -0.6 13.4 -15.4 76 114 A G G > S+ 0 0 19 -2,-0.4 3,-1.5 1,-0.3 4,-0.3 0.860 102.4 57.9 -55.7 -37.9 -4.2 12.1 -15.7 77 115 A C G 3 S+ 0 0 123 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.668 109.4 46.8 -76.4 -11.6 -5.5 15.2 -17.4 78 116 A E G X> S+ 0 0 15 -3,-1.6 4,-1.9 1,-0.1 3,-0.9 0.414 77.0 109.3-101.8 4.2 -2.9 14.6 -20.2 79 117 A R H <> S+ 0 0 38 -3,-1.5 4,-2.7 -4,-0.4 5,-0.2 0.841 79.3 48.6 -58.0 -40.7 -3.5 10.9 -20.8 80 118 A Q H 3> S+ 0 0 113 -4,-0.3 4,-2.6 1,-0.2 -1,-0.3 0.850 108.1 53.9 -67.7 -31.8 -5.2 11.3 -24.2 81 119 A A H <> S+ 0 0 31 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.877 112.4 45.0 -67.1 -40.0 -2.5 13.6 -25.4 82 120 A V H X S+ 0 0 1 -4,-1.9 4,-2.2 46,-0.2 -2,-0.2 0.965 113.9 48.3 -66.6 -47.6 0.1 11.0 -24.5 83 121 A F H X S+ 0 0 3 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.908 113.7 47.4 -60.9 -42.3 -1.9 8.1 -26.0 84 122 A S H X S+ 0 0 53 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.871 107.9 55.8 -64.1 -42.1 -2.5 10.1 -29.2 85 123 A F H X>S+ 0 0 3 -4,-1.9 4,-2.4 1,-0.2 5,-1.4 0.898 106.2 51.1 -61.0 -40.2 1.2 11.1 -29.6 86 124 A I H X>S+ 0 0 0 -4,-2.2 5,-2.7 3,-0.2 4,-0.7 0.956 115.2 41.8 -63.9 -48.6 2.3 7.5 -29.4 87 125 A D H <5S+ 0 0 60 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.900 122.9 37.8 -62.9 -40.2 -0.2 6.5 -32.2 88 126 A N H <5S+ 0 0 100 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.778 133.8 11.9 -91.3 -24.7 0.4 9.5 -34.5 89 127 A Y H <5S+ 0 0 76 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.1 0.707 124.7 43.6-126.6 -32.5 4.0 10.2 -34.1 90 128 A V T >< S+ 0 0 42 -3,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.573 84.5 80.4 -87.6 -15.3 8.8 5.8 -36.9 94 132 A I H <> S+ 0 0 1 -3,-1.4 4,-2.2 -4,-0.4 5,-0.2 0.877 85.1 53.4 -70.2 -44.7 9.4 2.2 -36.1 95 133 A D H > S+ 0 0 23 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.964 114.1 44.0 -52.6 -48.9 9.6 0.7 -39.6 96 134 A N H > S+ 0 0 95 -4,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.817 108.1 58.6 -69.9 -28.1 12.4 3.2 -40.5 97 135 A F H X S+ 0 0 6 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.958 108.5 45.8 -60.9 -46.9 14.1 2.7 -37.2 98 136 A S H X S+ 0 0 4 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.933 114.8 47.9 -59.8 -43.4 14.4 -1.1 -38.0 99 137 A L H X S+ 0 0 33 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.924 112.0 48.7 -66.9 -41.8 15.6 -0.3 -41.5 100 138 A D H X S+ 0 0 59 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.835 107.7 54.5 -67.6 -37.1 18.2 2.2 -40.3 101 139 A L H < S+ 0 0 1 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.897 112.3 45.6 -61.6 -38.2 19.5 -0.2 -37.7 102 140 A T H < S+ 0 0 48 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.923 119.1 41.2 -63.2 -44.1 20.0 -2.7 -40.6 103 141 A R H < S+ 0 0 174 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.650 105.3 62.2 -91.5 -21.5 21.6 -0.1 -42.9 104 142 A Y S < S- 0 0 130 -4,-2.4 3,-0.1 -5,-0.1 6,-0.0 -0.799 73.3-134.1-108.4 150.0 23.9 2.0 -40.6 105 143 A P S S+ 0 0 122 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.827 88.2 60.7 -70.4 -35.0 26.9 0.6 -38.7 106 144 A D > - 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