==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 19-MAY-10 3N2U . COMPND 2 MOLECULE: MACROPHAGE METALLOELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.CALDERONE . 158 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8363.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 80 50.6 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 . 8 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 20.3 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 0 0 1 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 0 100 0, 0.0 120,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-133.6 9.0 13.1 2.5 2 107 A P + 0 0 76 0, 0.0 2,-0.3 0, 0.0 81,-0.1 -0.204 360.0 176.8 -70.9 148.4 7.4 14.3 5.7 3 108 A V - 0 0 17 78,-0.1 2,-0.3 79,-0.0 117,-0.1 -0.928 40.7 -92.0-136.6 162.4 9.0 13.8 9.2 4 109 A W - 0 0 23 115,-0.3 5,-0.0 -2,-0.3 115,-0.0 -0.632 29.4-155.0 -73.7 132.7 8.0 14.9 12.7 5 110 A R S S+ 0 0 216 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.129 71.1 63.0-100.5 32.5 9.6 18.3 13.4 6 111 A K S S- 0 0 98 1,-0.1 -2,-0.1 0, 0.0 3,-0.0 -0.957 72.1-136.2-154.5 158.9 9.6 17.7 17.2 7 112 A H S S+ 0 0 114 -2,-0.3 36,-2.8 1,-0.1 2,-0.7 0.780 85.2 70.6 -97.1 -31.7 11.1 15.3 19.7 8 113 A Y E -a 43 0A 179 34,-0.2 2,-0.4 36,-0.0 36,-0.2 -0.819 65.3-178.4 -92.6 114.8 8.3 14.4 22.0 9 114 A I E -a 44 0A 2 34,-3.4 36,-1.8 -2,-0.7 2,-0.3 -0.918 10.3-152.7-116.6 137.7 5.7 12.3 20.1 10 115 A T E -a 45 0A 36 -2,-0.4 44,-2.2 34,-0.2 43,-0.6 -0.811 8.6-170.5-108.6 149.9 2.5 11.0 21.6 11 116 A Y E -ab 46 54A 5 34,-2.3 36,-2.9 -2,-0.3 2,-0.4 -0.962 3.4-163.8-132.8 158.0 0.5 7.9 20.8 12 117 A R E - b 0 55A 76 42,-2.3 44,-3.1 -2,-0.3 2,-0.9 -0.999 19.9-134.3-139.9 136.0 -3.0 6.7 21.8 13 118 A I E - b 0 56A 15 34,-0.4 44,-0.2 -2,-0.4 3,-0.1 -0.838 18.4-167.7 -92.7 109.3 -4.5 3.3 21.5 14 119 A N - 0 0 89 42,-2.9 2,-0.3 -2,-0.9 43,-0.2 0.866 66.4 -15.9 -61.8 -44.2 -8.0 4.0 20.1 15 120 A N - 0 0 52 41,-0.6 2,-0.4 44,-0.0 -1,-0.2 -0.964 69.3-112.5-162.2 163.3 -9.4 0.5 20.8 16 121 A Y - 0 0 62 -2,-0.3 6,-0.1 -3,-0.1 41,-0.0 -0.897 23.1-119.5-117.6 130.1 -8.1 -3.0 21.6 17 122 A T > - 0 0 0 -2,-0.4 3,-0.9 1,-0.2 8,-0.1 -0.363 16.2-140.2 -58.0 138.2 -8.2 -6.2 19.6 18 123 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.512 93.2 80.8 -75.5 -3.0 -10.1 -9.0 21.4 19 124 A D T 3 S+ 0 0 38 77,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.647 96.4 39.4 -74.1 -16.2 -7.4 -11.4 20.2 20 125 A M S < S- 0 0 17 -3,-0.9 2,-0.2 79,-0.1 79,-0.1 -0.885 90.1 -93.9-134.6 159.3 -5.1 -10.4 23.0 21 126 A N > - 0 0 101 -2,-0.3 4,-1.6 1,-0.1 3,-0.4 -0.503 41.6-122.0 -65.8 141.2 -4.9 -9.5 26.7 22 127 A R H > S+ 0 0 141 1,-0.2 4,-2.5 2,-0.2 3,-0.4 0.909 111.7 52.3 -52.3 -49.3 -5.1 -5.7 27.1 23 128 A E H > S+ 0 0 140 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.829 108.1 53.7 -60.1 -30.1 -1.7 -5.4 29.0 24 129 A D H > S+ 0 0 44 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.824 106.7 50.1 -75.7 -35.4 -0.1 -7.4 26.1 25 130 A V H X S+ 0 0 0 -4,-1.6 4,-2.4 -3,-0.4 5,-0.3 0.955 112.3 48.5 -61.0 -51.7 -1.4 -5.0 23.5 26 131 A D H X S+ 0 0 48 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.910 113.7 47.2 -54.5 -44.9 -0.0 -2.1 25.5 27 132 A Y H X S+ 0 0 142 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.921 110.5 49.7 -68.9 -43.1 3.3 -3.9 25.9 28 133 A A H X S+ 0 0 10 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.918 114.6 45.1 -59.7 -47.5 3.7 -4.8 22.2 29 134 A I H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.929 114.1 49.7 -63.8 -46.0 3.0 -1.3 21.1 30 135 A R H X S+ 0 0 142 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.944 112.3 47.1 -56.8 -51.2 5.3 0.2 23.8 31 136 A K H X S+ 0 0 62 -4,-3.1 4,-1.6 2,-0.2 -1,-0.2 0.858 109.8 54.0 -60.6 -38.3 8.1 -2.1 22.8 32 137 A A H X S+ 0 0 0 -4,-2.2 4,-0.9 -5,-0.2 -1,-0.2 0.906 108.9 47.8 -65.0 -42.7 7.6 -1.3 19.1 33 138 A F H >X S+ 0 0 3 -4,-2.3 4,-2.2 1,-0.2 3,-0.8 0.922 107.8 58.0 -58.8 -41.1 7.9 2.4 19.7 34 139 A Q H 3X S+ 0 0 65 -4,-2.2 4,-1.9 1,-0.3 -2,-0.2 0.831 94.9 64.5 -59.9 -36.5 11.1 1.7 21.8 35 140 A V H 3< S+ 0 0 13 -4,-1.6 4,-0.3 1,-0.2 -1,-0.3 0.909 110.6 37.6 -51.3 -43.5 12.7 -0.0 18.8 36 141 A W H X< S+ 0 0 0 -4,-0.9 3,-1.2 -3,-0.8 4,-0.3 0.860 112.0 54.4 -83.7 -37.2 12.7 3.4 17.0 37 142 A S H >< S+ 0 0 33 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.788 98.7 68.3 -66.6 -22.7 13.5 5.6 20.0 38 143 A N T 3< S+ 0 0 127 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.748 112.1 30.1 -60.4 -27.4 16.6 3.4 20.5 39 144 A V T < S+ 0 0 29 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.209 120.4 48.0-125.8 11.5 18.1 4.7 17.3 40 145 A T S < S- 0 0 19 -3,-0.7 114,-0.1 -4,-0.3 118,-0.0 -0.887 84.8-106.7-140.5 174.3 16.7 8.3 17.1 41 146 A P S S+ 0 0 57 0, 0.0 -4,-0.1 0, 0.0 -3,-0.0 0.497 79.5 122.2 -79.6 -0.0 16.3 11.4 19.3 42 147 A L - 0 0 2 -6,-0.2 2,-0.4 -34,-0.1 -2,-0.2 -0.224 46.7-160.2 -71.7 147.9 12.6 10.7 19.5 43 148 A K E -a 8 0A 130 -36,-2.8 -34,-3.4 2,-0.0 2,-0.4 -0.999 8.2-157.0-123.4 132.3 10.6 10.1 22.8 44 149 A F E -a 9 0A 29 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.903 10.3-178.2-112.5 136.3 7.2 8.4 22.7 45 150 A S E -a 10 0A 65 -36,-1.8 -34,-2.3 -2,-0.4 2,-0.4 -1.000 23.3-131.6-134.4 133.3 4.5 8.7 25.4 46 151 A K E -a 11 0A 74 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.670 23.6-166.9 -80.8 128.1 1.1 7.0 25.6 47 152 A I - 0 0 47 -36,-2.9 -34,-0.4 -2,-0.4 3,-0.1 -0.859 15.0-154.6-113.5 153.4 -1.8 9.3 26.3 48 153 A N S S+ 0 0 121 -2,-0.3 2,-0.3 1,-0.2 -36,-0.1 0.483 75.1 27.4-104.1 -3.6 -5.3 8.1 27.3 49 154 A T S S+ 0 0 110 2,-0.1 -1,-0.2 0, 0.0 2,-0.0 -0.992 95.1 25.1-159.6 148.2 -7.3 11.0 26.1 50 155 A G S S- 0 0 39 -2,-0.3 2,-0.5 -3,-0.1 -3,-0.1 -0.227 97.1 -27.4 86.5-177.4 -7.2 13.8 23.5 51 156 A M - 0 0 176 -2,-0.0 2,-0.2 4,-0.0 -2,-0.1 -0.610 60.2-168.5 -78.6 116.5 -5.5 14.1 20.1 52 157 A A - 0 0 14 -2,-0.5 3,-0.2 1,-0.1 -41,-0.2 -0.651 30.5-124.7 -92.8 164.5 -2.3 12.0 19.8 53 158 A D S S+ 0 0 25 -43,-0.6 2,-0.6 1,-0.3 -42,-0.2 0.933 104.8 34.8 -67.1 -45.9 0.3 12.3 17.0 54 159 A I E S-b 11 0A 0 -44,-2.2 -42,-2.3 35,-0.1 2,-0.6 -0.916 73.4-163.9-118.5 108.5 -0.1 8.6 16.3 55 160 A L E -b 12 0A 41 -2,-0.6 35,-2.3 -44,-0.2 2,-0.5 -0.837 10.1-151.1 -90.5 127.5 -3.5 6.9 16.8 56 161 A V E -bc 13 90A 2 -44,-3.1 -42,-2.9 -2,-0.6 -41,-0.6 -0.867 22.5-179.0-100.2 122.2 -3.4 3.1 16.9 57 162 A V E - c 0 91A 18 33,-2.4 35,-3.0 -2,-0.5 2,-0.5 -0.963 24.9-154.2-128.0 136.6 -6.6 1.6 15.6 58 163 A F E + c 0 92A 7 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.971 37.0 146.4-103.7 129.5 -7.9 -2.0 15.2 59 164 A A E - c 0 93A 18 33,-2.6 35,-2.5 -2,-0.5 36,-0.4 -0.986 33.5-140.6-157.0 158.2 -10.5 -2.2 12.4 60 165 A R - 0 0 136 -2,-0.3 33,-0.0 33,-0.2 -2,-0.0 -0.892 60.6 -19.7-125.0 157.1 -11.8 -4.6 9.7 61 166 A G S S+ 0 0 24 -2,-0.3 8,-2.8 7,-0.1 2,-0.4 -0.167 123.4 7.6 54.9-137.6 -13.0 -4.1 6.1 62 167 A A S S+ 0 0 89 6,-0.3 -2,-0.2 1,-0.1 4,-0.1 -0.667 70.4 167.9 -74.4 127.0 -14.0 -0.6 5.2 63 168 A H - 0 0 40 -2,-0.4 -1,-0.1 2,-0.3 3,-0.1 -0.001 62.1 -73.7-140.0 33.5 -13.1 1.6 8.1 64 169 A G S S+ 0 0 85 1,-0.3 2,-0.2 2,-0.0 -2,-0.1 0.625 104.4 71.5 93.1 13.6 -13.4 5.2 7.1 65 170 A D S S- 0 0 34 0, 0.0 -1,-0.3 0, 0.0 -2,-0.3 -0.815 93.1 -91.5-139.8-171.3 -10.3 5.8 4.9 66 171 A D S S+ 0 0 162 -2,-0.2 2,-0.1 1,-0.2 -4,-0.0 0.279 105.2 80.5 -89.1 16.8 -9.2 4.8 1.3 67 172 A H - 0 0 89 -6,-0.0 -1,-0.2 11,-0.0 11,-0.0 -0.408 65.1-173.7-122.3 54.8 -7.4 1.7 2.6 68 173 A A - 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0 0 34 9,-2.5 8,-0.4 6,-0.3 3,-0.1 -0.784 31.2-112.6-101.0 141.2 0.0 7.1 7.3 81 186 A G - 0 0 35 -2,-0.4 7,-1.3 1,-0.2 8,-0.2 -0.160 56.9 -61.2 -60.5 164.1 3.2 9.2 7.1 82 187 A P S S+ 0 0 10 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.090 85.5 97.6 -52.1 143.5 3.9 12.1 9.5 83 188 A G S S- 0 0 34 4,-0.2 -3,-0.1 -3,-0.1 -79,-0.0 -0.882 70.5 -57.7 158.2 174.2 1.4 15.0 9.4 84 189 A S S > S+ 0 0 118 -2,-0.3 3,-2.2 2,-0.1 2,-0.2 -0.188 99.9 6.5 -71.9 167.4 -1.7 16.5 11.0 85 190 A G T 3 S+ 0 0 59 1,-0.3 -2,-0.1 3,-0.1 4,-0.1 -0.392 141.8 1.9 67.3-126.2 -5.0 14.7 11.4 86 191 A I T > S+ 0 0 97 -2,-0.2 3,-2.5 2,-0.1 -6,-0.3 0.592 101.6 124.2 -70.9 -13.1 -4.8 11.1 10.3 87 192 A G T < S+ 0 0 9 -3,-2.2 -32,-0.2 1,-0.3 -4,-0.2 -0.221 78.7 14.6 -45.6 133.3 -1.0 11.6 9.6 88 193 A G T 3 S+ 0 0 0 -7,-1.3 -1,-0.3 -8,-0.4 30,-0.1 0.200 91.8 139.8 84.1 -16.1 1.0 9.1 11.6 89 194 A D < - 0 0 14 -3,-2.5 -9,-2.5 -8,-0.2 2,-0.5 -0.305 39.4-151.8 -71.3 146.9 -2.0 6.8 12.4 90 195 A A E -cD 56 79A 1 -35,-2.3 -33,-2.4 -11,-0.2 2,-0.4 -0.979 7.6-162.2-124.0 122.0 -1.4 3.1 12.3 91 196 A H E -cD 57 78A 18 -13,-3.3 -13,-2.3 -2,-0.5 2,-0.4 -0.908 0.8-160.1-111.7 132.9 -4.3 0.8 11.5 92 197 A F E -cD 58 77A 1 -35,-3.0 -33,-2.6 -2,-0.4 2,-0.6 -0.927 25.2-117.9-116.3 130.0 -4.4 -3.0 12.2 93 198 A D E > -c 59 0A 0 -17,-2.5 3,-1.9 -2,-0.4 -33,-0.2 -0.525 16.3-157.7 -69.5 111.3 -6.7 -5.4 10.4 94 199 A E T 3 S+ 0 0 15 -35,-2.5 -34,-0.2 -2,-0.6 -1,-0.2 0.724 87.6 74.5 -62.8 -20.8 -9.0 -7.0 13.0 95 200 A D T 3 S+ 0 0 49 -36,-0.4 -1,-0.3 -24,-0.1 -23,-0.1 0.668 85.8 80.0 -68.4 -12.4 -9.6 -9.9 10.6 96 201 A E S < S- 0 0 7 -3,-1.9 2,-0.7 -20,-0.2 -77,-0.1 -0.455 90.0-118.4 -80.0 164.9 -6.0 -11.0 11.5 97 202 A F - 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