==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-FEB-07 2OXU . COMPND 2 MOLECULE: MACROPHAGE METALLOELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.CALDERONE,I.BERTINI,M.FRAGAI,C.LUCHINAT,M.MALETTA,K.J.YEO . 158 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8532.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 52.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.5 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 . 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 . 9 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 19.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 PARALLEL BRIDGES PER LADDER . 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 1 106 A G 0 0 110 0, 0.0 120,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 163.1 8.7 12.7 2.3 2 107 A P - 0 0 70 0, 0.0 2,-0.3 0, 0.0 81,-0.1 -0.288 360.0-179.1 -69.2 147.2 7.1 14.2 5.5 3 108 A V - 0 0 32 78,-0.1 2,-0.2 79,-0.0 117,-0.1 -0.950 36.8 -94.2-136.5 158.6 8.7 13.8 8.9 4 109 A W - 0 0 25 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.573 27.8-155.7 -69.7 138.8 7.7 14.9 12.4 5 110 A R S S+ 0 0 217 -2,-0.2 2,-0.3 0, 0.0 -1,-0.1 -0.057 70.8 60.4-107.8 27.9 9.3 18.2 13.3 6 111 A K S S- 0 0 97 1,-0.1 -2,-0.1 0, 0.0 3,-0.0 -0.959 72.0-135.7-150.9 158.8 9.3 17.7 17.1 7 112 A H S S+ 0 0 113 -2,-0.3 36,-2.7 35,-0.1 2,-0.7 0.750 84.3 73.3 -94.7 -28.9 10.8 15.2 19.5 8 113 A Y E +a 43 0A 182 34,-0.2 2,-0.4 36,-0.0 36,-0.2 -0.831 63.4 179.6 -93.3 114.3 7.8 14.4 21.8 9 114 A I E -a 44 0A 2 34,-3.1 36,-1.8 -2,-0.7 2,-0.3 -0.924 11.8-152.2-118.4 135.6 5.2 12.3 20.0 10 115 A T E -a 45 0A 37 -2,-0.4 44,-2.3 34,-0.2 43,-0.5 -0.811 9.1-171.4-107.4 150.4 2.0 11.0 21.5 11 116 A Y E -ab 46 54A 8 34,-2.4 36,-2.8 -2,-0.3 2,-0.4 -0.959 4.2-163.7-134.0 155.8 -0.1 7.9 20.7 12 117 A R E - b 0 55A 75 42,-2.1 44,-3.0 -2,-0.3 2,-0.9 -0.999 20.4-134.1-138.4 136.8 -3.5 6.7 21.7 13 118 A I E - b 0 56A 14 34,-0.4 44,-0.2 -2,-0.4 3,-0.1 -0.827 19.6-167.5 -92.0 106.4 -5.0 3.2 21.4 14 119 A N - 0 0 90 42,-2.8 2,-0.3 -2,-0.9 43,-0.2 0.869 66.0 -14.7 -62.3 -43.1 -8.5 3.9 20.0 15 120 A N - 0 0 53 41,-0.6 2,-0.4 -3,-0.1 -1,-0.2 -0.960 69.5-114.1-159.4 163.5 -9.9 0.4 20.7 16 121 A Y - 0 0 60 -2,-0.3 6,-0.1 -3,-0.1 41,-0.0 -0.896 22.5-120.0-115.7 134.1 -8.6 -3.1 21.6 17 122 A T > - 0 0 0 -2,-0.4 3,-1.0 1,-0.1 8,-0.1 -0.450 15.4-140.4 -62.0 136.6 -8.7 -6.3 19.6 18 123 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.523 93.2 81.6 -75.3 -2.6 -10.6 -9.1 21.4 19 124 A D T 3 S+ 0 0 40 77,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.651 96.0 37.6 -69.9 -20.8 -7.9 -11.4 20.1 20 125 A M S < S- 0 0 16 -3,-1.0 2,-0.2 79,-0.1 79,-0.1 -0.879 91.0 -91.9-133.7 158.0 -5.5 -10.5 22.9 21 126 A N >> - 0 0 101 -2,-0.3 4,-1.7 1,-0.1 3,-0.7 -0.516 42.6-120.7 -63.7 140.6 -5.3 -9.6 26.6 22 127 A R H 3> S+ 0 0 142 1,-0.3 4,-2.3 2,-0.2 3,-0.3 0.897 112.4 51.2 -50.8 -48.5 -5.6 -5.8 27.1 23 128 A E H 3> S+ 0 0 139 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.808 106.8 55.0 -63.4 -30.2 -2.2 -5.6 28.8 24 129 A D H <> S+ 0 0 44 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.845 106.8 50.0 -72.4 -34.4 -0.6 -7.5 26.0 25 130 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 -3,-0.3 5,-0.3 0.955 111.6 48.9 -63.6 -49.6 -1.9 -5.0 23.4 26 131 A D H X S+ 0 0 50 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.918 114.7 45.2 -54.5 -47.4 -0.5 -2.2 25.5 27 132 A Y H X S+ 0 0 138 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.905 110.6 51.6 -68.6 -43.9 2.9 -3.9 25.8 28 133 A A H X S+ 0 0 10 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.923 114.5 43.8 -57.2 -45.3 3.2 -4.9 22.2 29 134 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.931 113.6 50.5 -69.1 -44.9 2.5 -1.3 21.0 30 135 A R H X S+ 0 0 134 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.926 111.6 47.9 -55.7 -47.6 4.8 0.2 23.6 31 136 A K H X S+ 0 0 61 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.863 108.2 55.5 -64.4 -34.9 7.7 -2.1 22.7 32 137 A A H X S+ 0 0 0 -4,-1.8 4,-0.8 -5,-0.2 -1,-0.2 0.912 108.5 47.1 -65.5 -41.6 7.2 -1.3 19.0 33 138 A F H >X S+ 0 0 2 -4,-2.1 4,-2.1 1,-0.2 3,-0.7 0.899 107.5 58.1 -63.0 -40.0 7.5 2.4 19.7 34 139 A Q H 3X S+ 0 0 61 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.853 94.8 64.8 -59.6 -37.1 10.6 1.7 21.8 35 140 A V H 3< S+ 0 0 15 -4,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.889 111.0 37.0 -51.3 -42.0 12.3 0.0 18.8 36 141 A W H X< S+ 0 0 0 -4,-0.8 3,-1.0 -3,-0.7 4,-0.3 0.823 111.7 55.5 -86.1 -34.2 12.3 3.4 17.0 37 142 A S H >< S+ 0 0 33 -4,-2.1 3,-0.7 1,-0.2 -2,-0.2 0.774 98.7 68.0 -68.0 -21.7 13.0 5.6 20.0 38 143 A N T 3< S+ 0 0 126 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.743 110.1 31.8 -61.3 -28.3 16.1 3.5 20.5 39 144 A V T < S+ 0 0 28 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.203 120.8 46.5-123.0 12.6 17.7 4.8 17.3 40 145 A T S < S- 0 0 21 -3,-0.7 114,-0.1 -4,-0.3 118,-0.1 -0.888 85.0-107.0-142.8 171.0 16.4 8.3 17.2 41 146 A P S S+ 0 0 58 0, 0.0 -4,-0.1 0, 0.0 2,-0.1 0.397 79.5 122.8 -80.3 5.3 15.8 11.4 19.4 42 147 A L - 0 0 2 -6,-0.3 2,-0.4 -34,-0.1 -2,-0.2 -0.373 45.8-161.3 -74.0 145.3 12.1 10.7 19.4 43 148 A K E -a 8 0A 129 -36,-2.7 -34,-3.1 -2,-0.1 2,-0.4 -0.992 5.9-156.0-125.0 133.8 10.1 10.1 22.6 44 149 A F E -a 9 0A 32 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.927 10.4-177.8-117.0 135.8 6.7 8.4 22.7 45 150 A S E -a 10 0A 64 -36,-1.8 -34,-2.4 -2,-0.4 2,-0.4 -0.998 22.6-131.5-133.3 133.7 4.0 8.7 25.3 46 151 A K E -a 11 0A 72 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.698 23.7-167.9 -81.7 127.7 0.6 7.0 25.5 47 152 A I - 0 0 45 -36,-2.8 -34,-0.4 -2,-0.4 5,-0.1 -0.883 16.4-158.0-115.9 152.4 -2.3 9.3 26.2 48 153 A N S S+ 0 0 119 -2,-0.3 2,-0.3 -36,-0.1 -1,-0.1 0.500 74.5 30.3-108.2 -8.3 -5.8 8.1 27.2 49 154 A T S S+ 0 0 112 2,-0.0 -1,-0.1 0, 0.0 2,-0.0 -0.961 96.4 19.1-146.0 160.3 -7.8 11.2 26.1 50 155 A G S S- 0 0 42 -2,-0.3 2,-0.7 -3,-0.1 -3,-0.1 -0.227 98.7 -24.3 79.1-165.6 -7.7 13.9 23.4 51 156 A M - 0 0 177 4,-0.0 2,-0.2 -2,-0.0 -41,-0.1 -0.767 58.6-170.6 -93.2 108.6 -5.9 14.2 20.1 52 157 A A - 0 0 13 -2,-0.7 3,-0.2 1,-0.1 -41,-0.2 -0.544 30.7-124.9 -85.6 159.9 -2.7 12.0 19.8 53 158 A D S S+ 0 0 29 -43,-0.5 2,-0.6 1,-0.2 -42,-0.2 0.935 103.4 36.8 -64.5 -46.8 -0.3 12.3 17.0 54 159 A I E S-b 11 0A 0 -44,-2.3 -42,-2.1 34,-0.1 2,-0.5 -0.926 73.4-163.4-116.7 109.3 -0.6 8.6 16.2 55 160 A L E -b 12 0A 46 -2,-0.6 35,-2.4 -44,-0.2 2,-0.5 -0.834 9.1-151.7 -91.9 125.8 -4.0 7.0 16.6 56 161 A V E +bc 13 90A 1 -44,-3.0 -42,-2.8 -2,-0.5 -41,-0.6 -0.876 21.9 179.6 -99.3 122.9 -3.9 3.1 16.8 57 162 A V E - c 0 91A 20 33,-2.4 35,-2.9 -2,-0.5 2,-0.5 -0.970 25.3-155.1-129.4 138.0 -7.1 1.5 15.5 58 163 A F E + c 0 92A 7 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.972 37.6 145.8-106.3 128.1 -8.3 -2.1 15.1 59 164 A A E - c 0 93A 18 33,-2.3 35,-2.6 -2,-0.5 36,-0.4 -0.971 34.4-138.6-156.0 160.2 -11.0 -2.3 12.3 60 165 A R - 0 0 137 -2,-0.3 33,-0.0 33,-0.2 8,-0.0 -0.900 61.5 -18.3-125.3 157.3 -12.3 -4.6 9.6 61 166 A G S S+ 0 0 26 -2,-0.3 8,-2.5 7,-0.1 2,-0.3 -0.167 123.0 6.9 53.3-139.0 -13.4 -4.1 6.0 62 167 A A + 0 0 91 6,-0.3 -2,-0.2 1,-0.1 4,-0.1 -0.606 68.1 166.1 -74.0 131.2 -14.3 -0.5 5.2 63 168 A H - 0 0 41 -2,-0.3 -1,-0.1 2,-0.2 3,-0.1 -0.021 64.5 -71.9-146.5 30.9 -13.5 1.8 8.1 64 169 A G S S+ 0 0 84 1,-0.3 2,-0.2 2,-0.0 -2,-0.1 0.612 103.0 73.8 94.1 15.9 -13.6 5.4 6.9 65 170 A D S S- 0 0 44 0, 0.0 -1,-0.3 0, 0.0 3,-0.3 -0.790 91.1 -91.7-140.2-171.7 -10.5 5.7 4.7 66 171 A D S S+ 0 0 161 -2,-0.2 -4,-0.0 1,-0.2 -2,-0.0 0.243 107.8 75.2 -87.6 13.4 -9.2 4.8 1.2 67 172 A H - 0 0 87 -6,-0.1 -1,-0.2 11,-0.0 -6,-0.0 -0.349 65.4-178.6-127.7 49.7 -7.6 1.6 2.6 68 173 A A - 0 0 65 -3,-0.3 -6,-0.3 1,-0.1 2,-0.1 -0.163 29.1-116.4 -46.9 138.4 -10.5 -0.8 3.1 69 174 A F - 0 0 16 -8,-2.5 -1,-0.1 1,-0.1 3,-0.1 -0.358 11.9-140.9 -82.8 167.1 -9.3 -4.1 4.6 70 175 A D - 0 0 84 1,-0.5 -1,-0.1 5,-0.4 -2,-0.0 -0.018 40.2-103.9-124.9 23.8 -9.6 -7.5 2.8 71 176 A G S S- 0 0 21 3,-0.0 -1,-0.5 4,-0.0 24,-0.1 -0.255 79.4 -5.7 77.3-171.6 -10.6 -10.1 5.4 72 177 A K S S+ 0 0 173 23,-0.1 24,-0.2 -3,-0.1 3,-0.1 -0.278 120.6 1.9 -57.4 135.4 -8.2 -12.7 6.8 73 178 A G S S+ 0 0 27 1,-0.2 -3,-0.3 2,-0.0 2,-0.2 -0.283 97.5 69.2 80.6-168.2 -4.7 -12.6 5.2 74 179 A G S S+ 0 0 66 -5,-0.1 2,-0.4 -2,-0.1 -1,-0.2 -0.415 104.9 25.5 59.1-125.3 -3.5 -10.3 2.4 75 180 A I - 0 0 95 -2,-0.2 -5,-0.4 1,-0.2 3,-0.1 -0.559 65.2-179.2 -70.7 124.2 -3.2 -6.8 3.9 76 181 A L - 0 0 33 -2,-0.4 17,-2.6 1,-0.3 2,-0.3 0.723 62.2 -25.2 -94.0 -28.4 -2.6 -7.0 7.7 77 182 A A E -D 92 0A 9 15,-0.3 -1,-0.3 -19,-0.0 2,-0.3 -0.951 55.2-156.1-171.5 167.2 -2.4 -3.3 8.6 78 183 A H E -D 91 0A 21 13,-2.4 13,-3.1 -2,-0.3 2,-0.3 -0.972 6.1-160.1-156.5 163.7 -1.6 0.1 7.1 79 184 A A E -D 90 0A 20 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.987 16.8-123.1-146.8 154.6 -0.4 3.5 8.3 80 185 A F - 0 0 33 9,-2.5 8,-0.4 -2,-0.3 3,-0.1 -0.768 32.0-114.2 -98.4 143.1 -0.3 7.1 7.2 81 186 A G - 0 0 35 -2,-0.3 7,-1.3 1,-0.2 8,-0.2 -0.163 56.4 -58.3 -68.1 167.3 2.9 9.1 7.0 82 187 A P S S+ 0 0 11 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.109 86.3 98.2 -50.5 139.2 3.6 12.1 9.3 83 188 A G S S- 0 0 35 4,-0.2 -3,-0.0 -3,-0.1 -79,-0.0 -0.898 70.0 -57.8 160.6 174.3 1.0 14.9 9.1 84 189 A S S > S- 0 0 115 -2,-0.3 3,-2.2 2,-0.1 2,-0.2 -0.227 98.9 -0.4 -72.3 164.8 -2.0 16.5 10.8 85 190 A G T 3 S+ 0 0 58 1,-0.3 -2,-0.1 3,-0.1 4,-0.1 -0.344 141.7 7.3 63.1-121.4 -5.3 14.6 11.4 86 191 A I T > S+ 0 0 102 -2,-0.2 3,-2.2 2,-0.1 -6,-0.3 0.666 103.0 117.4 -68.9 -18.0 -5.2 11.1 10.0 87 192 A G T < S+ 0 0 6 -3,-2.2 -4,-0.2 1,-0.3 -32,-0.2 -0.207 80.6 16.3 -48.6 137.6 -1.4 11.6 9.4 88 193 A G T 3 S+ 0 0 0 -7,-1.3 -1,-0.3 -8,-0.4 30,-0.1 0.153 92.7 139.2 83.4 -21.8 0.6 9.1 11.5 89 194 A D < - 0 0 13 -3,-2.2 -9,-2.5 -8,-0.2 2,-0.5 -0.244 39.4-152.6 -67.3 146.0 -2.4 6.9 12.3 90 195 A A E -cD 56 79A 0 -35,-2.4 -33,-2.4 -11,-0.2 2,-0.4 -0.983 8.1-166.4-124.6 123.2 -1.9 3.1 12.2 91 196 A H E -cD 57 78A 17 -13,-3.1 -13,-2.4 -2,-0.5 2,-0.4 -0.934 3.1-159.5-114.9 135.4 -4.8 0.7 11.5 92 197 A F E -cD 58 77A 0 -35,-2.9 -33,-2.3 -2,-0.4 2,-0.6 -0.929 25.8-115.6-118.0 131.0 -4.7 -3.0 12.1 93 198 A D E > -c 59 0A 0 -17,-2.6 3,-1.9 -2,-0.4 -33,-0.2 -0.535 16.8-157.8 -70.7 113.3 -7.1 -5.5 10.3 94 199 A E T 3 S+ 0 0 16 -35,-2.6 -34,-0.2 -2,-0.6 -1,-0.2 0.682 87.7 73.9 -65.9 -16.8 -9.4 -7.1 12.9 95 200 A D T 3 S+ 0 0 51 -36,-0.4 -1,-0.3 -24,-0.1 2,-0.2 0.595 85.6 79.9 -75.0 -8.2 -9.9 -10.0 10.5 96 201 A E S < S- 0 0 7 -3,-1.9 2,-0.7 -20,-0.2 -77,-0.1 -0.539 89.8-119.7 -81.9 163.0 -6.4 -11.1 11.4 97 202 A F - 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