==== 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 4IIK . 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 . 303 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14406.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 69.3 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 . 96 31.7 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 . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 1 0 0 1 1 1 0 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 . 3 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 1 1 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 0 182 0, 0.0 90,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 113.2 0.6 -2.8 3.4 2 38 A R + 0 0 137 2,-0.1 2,-0.1 90,-0.0 0, 0.0 0.588 360.0 94.9-100.8 -19.2 -1.4 0.0 1.8 3 39 A S S S- 0 0 19 58,-0.1 2,-0.6 59,-0.1 58,-0.2 -0.387 76.0-124.8 -73.3 153.0 -2.6 1.7 5.1 4 40 A I E -A 60 0A 18 56,-3.4 56,-2.7 -2,-0.1 2,-0.7 -0.904 19.0-154.2 -97.6 122.0 -0.5 4.6 6.5 5 41 A I E +A 59 0A 46 -2,-0.6 54,-0.3 54,-0.2 3,-0.1 -0.902 19.2 172.6 -96.9 116.4 0.6 3.9 10.1 6 42 A T E S+ 0 0 7 52,-1.6 2,-0.3 -2,-0.7 53,-0.2 0.751 70.3 16.0 -93.6 -25.0 1.2 7.2 11.9 7 43 A Q E +A 58 0A 15 51,-2.0 51,-2.8 24,-0.1 2,-0.3 -0.985 64.2 165.8-144.4 142.5 1.7 5.8 15.4 8 44 A I E -A 57 0A 59 -2,-0.3 2,-0.4 49,-0.2 49,-0.2 -0.991 10.1-174.6-150.9 145.6 2.5 2.3 16.7 9 45 A C E -A 56 0A 9 47,-2.0 47,-1.3 -2,-0.3 2,-1.0 -0.940 8.1-166.0-143.3 120.4 3.7 0.9 19.9 10 46 A N E -A 55 0A 70 -2,-0.4 45,-0.2 1,-0.2 42,-0.1 -0.700 64.2 -65.3-102.2 76.8 4.6 -2.8 20.4 11 47 A G - 0 0 7 43,-1.5 2,-0.3 -2,-1.0 -1,-0.2 -0.165 57.5-110.2 76.3-177.5 4.8 -3.0 24.2 12 48 A V - 0 0 18 40,-0.3 40,-2.5 -3,-0.1 2,-0.1 -0.952 29.9-103.3-150.0 148.4 7.4 -1.2 26.2 13 49 A L > - 0 0 103 -2,-0.3 3,-1.9 38,-0.2 38,-0.1 -0.456 51.2 -87.5 -74.1 147.5 10.3 -2.7 28.1 14 50 A H T 3 S+ 0 0 128 1,-0.3 -1,-0.1 -2,-0.1 37,-0.1 -0.219 114.5 22.3 -59.7 143.1 9.9 -2.9 31.9 15 51 A G T 3 S+ 0 0 83 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.477 108.6 95.5 84.2 -2.6 11.0 0.2 33.7 16 52 A Q < - 0 0 125 -3,-1.9 2,-0.3 2,-0.0 -1,-0.2 -0.803 55.5-152.1-120.2 160.9 10.6 2.4 30.6 17 53 A S - 0 0 71 -2,-0.3 2,-0.4 18,-0.1 18,-0.2 -0.921 8.4-147.9-122.9 160.4 8.0 4.8 29.2 18 54 A Y E -G 34 0B 79 16,-3.0 16,-2.5 -2,-0.3 2,-0.5 -0.991 12.5-178.4-129.2 130.1 7.3 5.7 25.6 19 55 A Q E -G 33 0B 152 -2,-0.4 14,-0.2 14,-0.2 -2,-0.0 -0.994 13.5-159.3-124.0 122.1 6.0 9.1 24.3 20 56 A S - 0 0 27 12,-2.5 -1,-0.1 -2,-0.5 13,-0.1 0.780 20.9-146.0 -72.2 -30.0 5.5 9.0 20.6 21 57 A G - 0 0 41 11,-0.3 11,-0.3 2,-0.0 2,-0.2 -0.273 38.6 -56.3 72.2 179.2 5.5 12.7 19.8 22 58 A S - 0 0 88 9,-0.1 2,-0.5 -2,-0.1 9,-0.1 -0.509 43.6-134.6 -89.1 162.5 3.4 14.1 16.9 23 59 A N > > - 0 0 49 7,-0.4 5,-2.1 -2,-0.2 3,-0.8 -0.982 7.6-147.9-115.8 126.4 3.6 12.9 13.3 24 60 A D G > 5S+ 0 0 146 -2,-0.5 3,-1.4 1,-0.2 -1,-0.1 0.756 89.6 74.5 -66.7 -22.8 3.6 15.8 10.8 25 61 A L G 3 5S+ 0 0 47 1,-0.3 -1,-0.2 2,-0.1 277,-0.1 0.890 108.6 29.0 -60.7 -35.0 1.7 13.7 8.2 26 62 A D G X 5S- 0 0 0 -3,-0.8 3,-2.0 4,-0.1 -1,-0.3 0.035 115.8-109.5-117.8 32.1 -1.6 14.0 10.1 27 63 A K T < 5S- 0 0 101 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.849 74.5 -52.6 53.4 43.3 -0.8 17.4 11.7 28 64 A G T 3 - 0 0 36 4,-2.5 3,-1.3 -2,-0.4 233,-0.2 -0.170 48.8 -83.8 -75.0-175.0 8.8 -4.6 49.9 43 79 A E T 3 S+ 0 0 107 1,-0.3 -1,-0.0 2,-0.2 -2,-0.0 0.780 129.1 62.6 -70.8 -23.9 8.3 -3.6 53.6 44 80 A Q T 3 S- 0 0 162 2,-0.1 -1,-0.3 230,-0.1 3,-0.1 0.762 118.7-113.1 -58.4 -26.3 11.0 -0.9 53.4 45 81 A G S < S+ 0 0 14 -3,-1.3 2,-0.3 1,-0.3 -2,-0.2 0.693 74.0 142.8 82.0 32.4 8.7 0.8 50.9 46 82 A K - 0 0 126 1,-0.0 -4,-2.5 -4,-0.0 -1,-0.3 -0.787 57.0-102.8-105.5 145.3 11.5 -0.1 48.3 47 83 A E B M 41 0C 130 -2,-0.3 -6,-0.2 -6,-0.2 -8,-0.0 -0.461 360.0 360.0 -75.3 142.2 10.7 -1.1 44.7 48 84 A I 0 0 124 -8,-2.5 -8,-0.1 -2,-0.2 -1,-0.1 -0.762 360.0 360.0 -95.4 360.0 11.0 -4.8 43.8 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 0 171 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 116.4 7.9 -8.2 33.1 51 89 A D - 0 0 48 -37,-0.1 2,-0.2 1,-0.1 -38,-0.2 -0.374 360.0 -89.5 -87.1 165.7 7.4 -6.3 29.9 52 90 A S - 0 0 3 -40,-2.5 -40,-0.3 1,-0.1 -1,-0.1 -0.552 24.5-164.4 -76.6 147.3 4.2 -4.7 28.6 53 91 A D + 0 0 13 -2,-0.2 20,-2.8 20,-0.2 2,-0.2 0.054 54.6 114.9-110.4 16.9 1.9 -6.8 26.4 54 92 A D E - B 0 72A 0 18,-0.2 -43,-1.5 -42,-0.1 2,-0.3 -0.632 41.3-176.6 -91.7 152.5 -0.1 -3.8 25.2 55 93 A K E -AB 10 71A 0 16,-2.4 16,-2.9 -2,-0.2 2,-0.4 -0.985 7.0-175.4-142.9 137.7 -0.2 -2.6 21.6 56 94 A I E -AB 9 70A 0 -47,-1.3 -47,-2.0 -2,-0.3 2,-0.4 -0.992 2.6-172.7-127.8 142.8 -1.8 0.4 20.0 57 95 A V E -AB 8 69A 1 12,-2.1 12,-2.5 -2,-0.4 2,-0.4 -1.000 5.0-180.0-131.1 133.7 -1.8 1.1 16.3 58 96 A I E +AB 7 68A 0 -51,-2.8 -51,-2.0 -2,-0.4 -52,-1.6 -0.995 25.2 105.7-132.5 136.2 -3.2 4.4 14.8 59 97 A G E -AB 5 67A 0 8,-2.2 8,-2.7 -2,-0.4 2,-0.4 -0.929 54.7 -83.3-176.5-156.6 -3.3 5.3 11.2 60 98 A Y E -AB 4 66A 0 -56,-2.7 -56,-3.4 -2,-0.3 6,-0.2 -0.995 30.4-120.3-137.5 144.8 -5.3 5.8 8.1 61 99 A T > - 0 0 0 4,-2.7 3,-2.6 -2,-0.4 242,-0.1 -0.240 42.6 -98.2 -73.9 171.3 -6.6 3.6 5.3 62 100 A K T 3 S+ 0 0 62 1,-0.3 241,-0.1 2,-0.1 242,-0.1 0.714 128.8 60.1 -61.8 -16.6 -5.5 4.2 1.7 63 101 A D T 3 S- 0 0 46 2,-0.1 -1,-0.3 240,-0.1 237,-0.2 0.303 123.0-108.1 -88.3 5.1 -9.0 6.0 1.5 64 102 A G < + 0 0 0 -3,-2.6 2,-0.4 1,-0.3 -2,-0.1 0.575 69.7 147.8 80.2 12.4 -7.9 8.4 4.2 65 103 A M - 0 0 5 73,-0.1 -4,-2.7 234,-0.1 -1,-0.3 -0.687 44.9-127.1 -86.4 134.9 -10.2 6.9 6.9 66 104 A A E +B 60 0A 1 -2,-0.4 72,-2.3 -6,-0.2 2,-0.3 -0.471 30.5 178.1 -81.3 143.6 -8.8 7.1 10.4 67 105 A F E -BC 59 137A 0 -8,-2.7 -8,-2.2 70,-0.2 2,-0.4 -0.977 16.4-166.1-142.0 153.9 -8.5 4.0 12.7 68 106 A Q E -BC 58 136A 0 68,-1.8 68,-1.9 -2,-0.3 2,-0.4 -0.993 5.0-167.3-136.8 137.5 -7.3 3.1 16.1 69 107 A I E -BC 57 135A 1 -12,-2.5 -12,-2.1 -2,-0.4 2,-0.5 -0.987 3.3-168.4-122.8 127.9 -6.6 -0.4 17.4 70 108 A V E +BC 56 134A 0 64,-2.7 64,-2.5 -2,-0.4 2,-0.4 -0.987 12.1 179.5-122.8 125.7 -6.1 -1.0 21.1 71 109 A V E -BC 55 133A 0 -16,-2.9 -16,-2.4 -2,-0.5 2,-0.4 -0.949 18.1-170.5-136.2 141.3 -4.8 -4.5 22.2 72 110 A D E -BC 54 132A 16 60,-2.4 60,-2.5 -2,-0.4 -18,-0.2 -0.918 17.3-150.2-134.7 102.5 -3.9 -6.1 25.5 73 111 A G E - C 0 131A 3 -20,-2.8 58,-0.3 -2,-0.4 -20,-0.2 -0.496 7.6-141.9 -75.4 146.7 -2.2 -9.5 25.4 74 112 A F S S+ 0 0 59 56,-2.2 2,-0.4 1,-0.2 -1,-0.1 0.905 77.2 36.4 -65.8 -51.1 -2.7 -12.0 28.3 75 113 A Y > - 0 0 131 55,-0.4 3,-1.7 1,-0.1 4,-0.3 -0.936 63.5-139.3-127.4 136.0 0.8 -13.5 28.6 76 114 A G G > S+ 0 0 41 -2,-0.4 3,-1.6 1,-0.3 4,-0.3 0.865 103.9 57.8 -59.8 -36.1 4.4 -12.3 28.3 77 115 A C G 3 S+ 0 0 124 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.613 111.4 44.1 -73.4 -8.3 5.6 -15.5 26.5 78 116 A E G X> S+ 0 0 15 -3,-1.7 4,-2.4 1,-0.1 3,-0.6 0.365 78.8 106.6-108.6 2.5 3.0 -14.8 23.7 79 117 A R H <> S+ 0 0 32 -3,-1.6 4,-3.1 -4,-0.3 5,-0.2 0.855 80.4 49.2 -61.5 -39.5 3.4 -11.1 23.3 80 118 A Q H 3> S+ 0 0 113 -4,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.856 109.5 53.0 -64.3 -34.7 5.2 -11.4 19.8 81 119 A A H <> S+ 0 0 32 -3,-0.6 4,-2.2 2,-0.2 48,-0.2 0.907 112.9 45.4 -63.3 -42.2 2.5 -13.8 18.6 82 120 A V H X S+ 0 0 1 -4,-2.4 4,-2.3 46,-0.2 -2,-0.2 0.965 114.2 46.3 -62.3 -54.7 -0.1 -11.1 19.6 83 121 A F H X S+ 0 0 3 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.911 115.0 48.0 -59.2 -40.6 1.9 -8.2 18.1 84 122 A S H X S+ 0 0 54 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.894 107.8 55.5 -65.4 -40.0 2.5 -10.1 14.8 85 123 A F H X>S+ 0 0 3 -4,-2.2 4,-2.6 -5,-0.2 5,-1.6 0.917 106.6 49.8 -60.3 -43.8 -1.2 -11.2 14.6 86 124 A I H X>S+ 0 0 0 -4,-2.3 5,-2.7 3,-0.2 4,-0.5 0.950 116.5 42.4 -60.6 -44.9 -2.4 -7.6 14.7 87 125 A D H <5S+ 0 0 58 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.891 122.5 36.7 -63.4 -42.8 0.1 -6.6 11.9 88 126 A N H <5S+ 0 0 102 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.755 134.2 12.5 -93.3 -24.4 -0.4 -9.5 9.7 89 127 A Y H <5S+ 0 0 75 -4,-2.6 -3,-0.2 -5,-0.3 4,-0.2 0.645 123.6 44.7-126.3 -36.9 -4.1 -10.3 10.0 90 128 A V T >< S+ 0 0 40 -3,-1.9 4,-1.7 -4,-0.2 -2,-0.2 0.603 84.2 81.1 -83.6 -15.6 -9.0 -5.9 7.3 94 132 A I H <> S+ 0 0 0 -3,-1.8 4,-2.4 -4,-0.5 5,-0.2 0.882 86.3 52.5 -68.8 -40.0 -9.5 -2.2 8.2 95 133 A D H > S+ 0 0 22 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.946 113.3 44.5 -60.7 -45.3 -9.9 -0.8 4.7 96 134 A N H > S+ 0 0 95 -4,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.781 109.3 57.6 -69.8 -28.7 -12.6 -3.3 3.7 97 135 A F H X S+ 0 0 6 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.941 108.2 45.4 -62.7 -47.7 -14.3 -2.8 7.0 98 136 A S H X S+ 0 0 5 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.928 115.1 48.2 -60.1 -43.6 -14.6 1.0 6.3 99 137 A L H X S+ 0 0 33 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.941 111.5 49.4 -64.3 -41.0 -15.8 0.3 2.8 100 138 A D H X S+ 0 0 57 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.883 107.1 55.1 -67.0 -37.6 -18.4 -2.3 4.0 101 139 A L H < S+ 0 0 1 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.915 112.6 44.4 -57.7 -37.8 -19.7 0.1 6.6 102 140 A T H < S+ 0 0 49 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.905 119.3 41.9 -67.4 -39.2 -20.3 2.6 3.8 103 141 A R H < S+ 0 0 173 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.650 104.8 62.4 -92.1 -21.4 -21.8 0.0 1.4 104 142 A Y S < S- 0 0 133 -4,-2.1 3,-0.1 -5,-0.1 6,-0.1 -0.861 72.7-135.1-108.9 148.4 -24.1 -2.1 3.7 105 143 A P S S+ 0 0 123 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.838 88.5 60.9 -74.6 -28.9 -27.1 -0.7 5.5 106 144 A D > - 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