==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 16-NOV-12 4I03 . COMPND 2 MOLECULE: MACROPHAGE METALLOELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.A.STURA,L.VERA,L.DEVEL,E.CASSAR-LAJEUNESSE,V.DIVE . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8387.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 52.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 10.7 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 . 11 6.9 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 . 33 20.8 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 0 1 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 1 105 A M 0 0 229 0, 0.0 3,-0.1 0, 0.0 156,-0.0 0.000 360.0 360.0 360.0 -25.0 1.5 13.7 23.6 2 106 A G - 0 0 26 1,-0.2 120,-0.0 119,-0.2 0, 0.0 0.111 360.0 -47.4 -88.3-170.1 4.9 13.1 22.0 3 107 A P + 0 0 82 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.288 54.4 174.9 -59.7 139.4 7.0 14.0 18.9 4 108 A V - 0 0 26 78,-0.1 2,-0.3 -3,-0.1 117,-0.1 -0.966 38.5-101.9-138.9 152.8 5.3 13.8 15.5 5 109 A W - 0 0 22 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.629 26.2-154.9 -71.6 134.8 6.4 14.7 12.1 6 110 A R S S+ 0 0 211 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.229 70.7 63.9-106.7 42.9 4.8 18.1 11.1 7 111 A K S S- 0 0 96 1,-0.1 -2,-0.1 0, 0.0 3,-0.0 -0.974 70.3-139.7-155.5 158.0 5.0 17.5 7.4 8 112 A H S S+ 0 0 110 -2,-0.3 36,-3.0 1,-0.1 2,-0.7 0.742 84.9 71.6 -98.3 -22.4 3.4 15.0 5.0 9 113 A Y E -a 44 0A 175 34,-0.2 2,-0.3 36,-0.1 36,-0.2 -0.852 64.9-179.4 -98.7 111.5 6.3 14.2 2.6 10 114 A I E -a 45 0A 0 34,-3.4 36,-2.4 -2,-0.7 2,-0.3 -0.855 11.6-151.5-111.6 139.5 8.9 12.1 4.5 11 115 A T E -a 46 0A 36 -2,-0.3 44,-2.0 34,-0.2 43,-0.5 -0.885 10.1-172.2-110.0 151.3 12.2 10.9 3.0 12 116 A Y E -ab 47 55A 6 34,-2.1 36,-2.9 -2,-0.3 2,-0.4 -0.960 4.0-163.7-137.2 157.1 14.2 7.8 3.9 13 117 A R E - b 0 56A 62 42,-2.2 44,-3.1 -2,-0.3 2,-0.8 -0.998 20.8-133.3-140.0 140.1 17.6 6.6 2.8 14 118 A I E - b 0 57A 15 34,-0.4 44,-0.2 -2,-0.4 3,-0.1 -0.808 19.7-170.4 -94.7 107.3 19.2 3.2 3.1 15 119 A N - 0 0 74 42,-2.7 2,-0.3 -2,-0.8 -1,-0.2 0.848 68.2 -9.3 -68.2 -39.0 22.6 4.0 4.5 16 120 A N - 0 0 52 41,-0.7 2,-0.4 -3,-0.1 -1,-0.3 -0.972 68.9-120.8-160.8 154.8 23.9 0.4 4.0 17 121 A Y - 0 0 60 -2,-0.3 6,-0.1 -3,-0.1 41,-0.0 -0.898 23.8-119.3-109.9 135.4 22.6 -3.0 3.0 18 122 A T > - 0 0 0 -2,-0.4 3,-1.1 1,-0.1 8,-0.1 -0.506 13.6-140.2 -65.4 138.6 22.7 -6.2 4.9 19 123 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.549 92.7 81.8 -69.0 -8.4 24.6 -9.0 3.2 20 124 A D T 3 S+ 0 0 40 77,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.623 96.5 36.6 -66.1 -24.1 22.0 -11.4 4.5 21 125 A M S < S- 0 0 16 -3,-1.1 2,-0.1 79,-0.1 79,-0.1 -0.881 92.5 -90.4-131.2 159.6 19.6 -10.5 1.7 22 126 A N > - 0 0 100 -2,-0.3 4,-1.7 1,-0.1 3,-0.3 -0.481 42.1-122.9 -63.3 140.9 19.4 -9.6 -2.0 23 127 A R H > S+ 0 0 138 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.909 112.1 53.7 -58.1 -45.0 19.7 -5.8 -2.4 24 128 A E H > S+ 0 0 138 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.842 107.3 53.0 -59.6 -31.2 16.4 -5.6 -4.3 25 129 A D H > S+ 0 0 43 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.826 106.9 50.3 -73.9 -33.3 14.7 -7.5 -1.4 26 130 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 -3,-0.3 5,-0.3 0.963 112.6 48.2 -63.4 -50.2 16.0 -5.1 1.2 27 131 A D H X S+ 0 0 51 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.924 114.9 44.7 -54.6 -48.2 14.7 -2.2 -1.0 28 132 A Y H X S+ 0 0 131 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.871 111.4 52.7 -70.7 -42.3 11.3 -3.9 -1.4 29 133 A A H X S+ 0 0 10 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.942 113.9 41.7 -57.4 -48.6 11.0 -4.9 2.3 30 134 A I H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.914 114.8 51.8 -68.7 -42.3 11.6 -1.4 3.6 31 135 A R H X S+ 0 0 134 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.904 110.2 48.2 -55.1 -50.8 9.4 0.1 0.9 32 136 A K H X S+ 0 0 67 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.841 108.5 55.3 -61.4 -34.7 6.6 -2.2 1.7 33 137 A A H X S+ 0 0 0 -4,-1.7 4,-0.9 -5,-0.2 -2,-0.2 0.901 107.9 47.0 -67.1 -42.8 7.0 -1.4 5.4 34 138 A F H >X S+ 0 0 3 -4,-2.1 4,-2.1 1,-0.2 3,-0.7 0.919 108.3 58.6 -62.8 -39.5 6.6 2.4 4.8 35 139 A Q H 3X S+ 0 0 49 -4,-2.2 4,-2.2 1,-0.3 -2,-0.2 0.837 95.8 63.2 -60.7 -36.9 3.5 1.6 2.6 36 140 A V H 3< S+ 0 0 17 -4,-1.6 -1,-0.3 1,-0.2 4,-0.2 0.923 111.3 36.1 -48.3 -46.5 1.9 -0.1 5.5 37 141 A W H X< S+ 0 0 0 -4,-0.9 3,-1.1 -3,-0.7 6,-0.3 0.837 113.8 55.1 -85.7 -29.7 1.8 3.2 7.4 38 142 A S H >< S+ 0 0 27 -4,-2.1 3,-1.2 1,-0.3 -1,-0.2 0.830 98.0 67.3 -71.8 -24.4 1.1 5.5 4.4 39 143 A N T 3< S+ 0 0 126 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.645 110.0 33.4 -66.1 -20.1 -1.9 3.4 3.6 40 144 A V T < S+ 0 0 31 -3,-1.1 -1,-0.3 -4,-0.2 -2,-0.2 0.102 120.4 45.4-121.5 9.0 -3.6 4.6 6.8 41 145 A T S < S- 0 0 22 -3,-1.2 118,-0.1 2,-0.2 114,-0.1 -0.901 86.1-106.1-139.7 176.7 -2.3 8.2 7.1 42 146 A P S S+ 0 0 61 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 0.362 79.8 122.7 -84.6 2.4 -1.8 11.2 4.8 43 147 A L - 0 0 2 -6,-0.3 2,-0.4 -34,-0.1 -2,-0.2 -0.441 45.5-162.8 -72.3 142.9 2.0 10.5 4.9 44 148 A K E -a 9 0A 129 -36,-3.0 -34,-3.4 -2,-0.1 2,-0.4 -0.980 4.7-157.9-118.6 135.1 4.0 10.0 1.8 45 149 A F E -a 10 0A 31 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.955 8.0-174.0-116.6 134.0 7.4 8.4 1.9 46 150 A S E -a 11 0A 61 -36,-2.4 -34,-2.1 -2,-0.4 2,-0.4 -0.985 20.8-132.0-128.2 136.5 10.1 8.8 -0.8 47 151 A K E -a 12 0A 72 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.724 24.6-169.7 -83.5 131.9 13.4 6.9 -1.0 48 152 A I - 0 0 44 -36,-2.9 -34,-0.4 -2,-0.4 3,-0.1 -0.872 18.3-157.4-120.6 153.9 16.5 9.2 -1.7 49 153 A N S S+ 0 0 118 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.522 76.0 23.0-106.1 -11.6 20.0 8.0 -2.5 50 154 A T S S+ 0 0 117 2,-0.1 -1,-0.2 -37,-0.0 2,-0.1 -0.971 95.9 38.1-147.7 157.4 22.0 11.1 -1.4 51 155 A G S S- 0 0 52 -2,-0.3 2,-0.6 -3,-0.1 -3,-0.1 -0.398 97.6 -38.4 96.7-173.5 21.5 13.9 0.9 52 156 A M - 0 0 169 -2,-0.1 2,-0.3 4,-0.0 -2,-0.1 -0.787 57.9-165.6 -92.6 122.1 19.9 14.1 4.3 53 157 A A - 0 0 11 -2,-0.6 3,-0.2 1,-0.1 -41,-0.2 -0.727 27.2-127.7 -97.0 159.6 16.8 11.9 4.8 54 158 A D S S+ 0 0 31 -43,-0.5 2,-0.6 -2,-0.3 -42,-0.2 0.900 103.1 37.0 -62.0 -48.3 14.4 12.2 7.6 55 159 A I E S-b 12 0A 0 -44,-2.0 -42,-2.2 35,-0.1 2,-0.5 -0.938 73.8-164.4-117.1 104.9 14.6 8.5 8.3 56 160 A L E -b 13 0A 29 -2,-0.6 35,-2.6 -44,-0.2 2,-0.6 -0.833 10.0-151.0 -90.3 126.4 18.1 6.9 7.9 57 161 A V E +bc 14 91A 2 -44,-3.1 -42,-2.7 -2,-0.5 -41,-0.7 -0.902 22.3 179.4-100.9 119.6 17.9 3.1 7.7 58 162 A V E - c 0 92A 19 33,-2.5 35,-2.8 -2,-0.6 2,-0.5 -0.955 26.0-155.6-126.5 134.3 21.1 1.5 9.1 59 163 A F E + c 0 93A 6 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.980 38.7 148.3-104.6 124.7 22.3 -2.1 9.5 60 164 A A E - c 0 94A 19 33,-2.2 35,-2.5 -2,-0.5 36,-0.4 -0.935 34.6-134.6-150.1 163.5 24.9 -2.1 12.3 61 165 A R - 0 0 139 -2,-0.3 33,-0.0 33,-0.2 -2,-0.0 -0.915 58.1 -26.8-128.4 157.1 26.3 -4.4 15.1 62 166 A G S S+ 0 0 21 -2,-0.3 8,-2.6 7,-0.1 2,-0.5 -0.049 122.8 10.7 44.9-131.6 27.2 -3.9 18.8 63 167 A A S S+ 0 0 95 6,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.591 71.9 167.5 -76.8 117.0 28.2 -0.4 19.7 64 168 A H - 0 0 42 -2,-0.5 -1,-0.1 2,-0.2 3,-0.1 0.137 60.2 -78.5-134.6 29.6 27.4 1.7 16.7 65 169 A G S S+ 0 0 83 1,-0.5 2,-0.2 0, 0.0 -2,-0.1 0.389 103.8 84.0 98.2 0.8 27.6 5.4 17.7 66 170 A D S S- 0 0 32 2,-0.1 -1,-0.5 21,-0.0 -2,-0.2 -0.560 92.9 -99.9-113.3-171.5 24.4 6.0 19.5 67 171 A D S S+ 0 0 149 -2,-0.2 2,-0.5 1,-0.2 -4,-0.0 0.322 103.2 77.5 -94.5 14.8 23.9 5.3 23.2 68 172 A H - 0 0 103 -6,-0.1 -1,-0.2 11,-0.0 -2,-0.1 -0.707 67.7-163.7-130.2 76.4 22.1 2.0 22.5 69 173 A A - 0 0 53 -2,-0.5 -6,-0.3 -6,-0.1 2,-0.1 -0.209 18.3-120.5 -63.3 153.6 24.3 -0.8 21.6 70 174 A F - 0 0 11 -8,-2.6 3,-0.1 1,-0.1 -1,-0.1 -0.459 14.6-138.5 -87.6 172.8 23.1 -4.0 20.0 71 175 A D - 0 0 78 1,-0.4 -1,-0.1 5,-0.3 -10,-0.0 -0.077 38.1-104.8-129.2 21.4 23.7 -7.3 21.7 72 176 A G S S- 0 0 19 3,-0.0 -1,-0.4 25,-0.0 24,-0.1 -0.180 78.3 -6.9 74.3-170.3 24.7 -9.9 19.1 73 177 A K S S+ 0 0 148 -3,-0.1 24,-0.2 24,-0.1 3,-0.1 -0.323 119.7 15.4 -59.3 135.4 22.5 -12.6 17.7 74 178 A G S S+ 0 0 29 1,-0.2 2,-0.3 2,-0.1 -3,-0.3 -0.251 99.0 51.8 90.8 178.2 19.2 -12.8 19.5 75 179 A G S S+ 0 0 68 -2,-0.1 2,-0.2 -5,-0.1 -1,-0.2 -0.396 101.5 41.5 58.0-116.4 17.5 -10.3 21.9 76 180 A I + 0 0 64 -2,-0.3 -5,-0.3 1,-0.1 3,-0.1 -0.458 56.2 175.7 -71.3 131.3 17.3 -6.9 20.3 77 181 A L - 0 0 34 1,-0.4 17,-2.2 -2,-0.2 2,-0.3 0.803 62.4 -26.1-101.2 -33.3 16.4 -7.0 16.6 78 182 A A E -D 93 0A 26 15,-0.3 -1,-0.4 -19,-0.0 2,-0.3 -0.957 51.1-156.2-171.6 156.1 16.1 -3.2 15.8 79 183 A H E -D 92 0A 38 13,-2.2 13,-2.8 -2,-0.3 2,-0.3 -0.967 6.7-161.2-143.7 160.9 15.4 0.2 17.4 80 184 A A E -D 91 0A 20 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.984 15.9-129.0-145.3 143.3 14.2 3.5 16.1 81 185 A F - 0 0 47 9,-2.3 8,-0.5 -2,-0.3 3,-0.1 -0.746 32.0-114.2 -89.0 139.2 14.3 7.1 17.3 82 186 A G - 0 0 33 -2,-0.4 7,-1.2 1,-0.2 8,-0.2 -0.123 55.7 -55.3 -65.1 168.8 11.1 9.1 17.4 83 187 A P S S+ 0 0 13 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.173 85.4 104.5 -51.3 140.8 10.5 12.1 15.2 84 188 A G - 0 0 36 -30,-0.1 2,-0.1 2,-0.1 -3,-0.0 -0.923 69.3 -67.8 164.5 167.1 13.1 14.8 15.5 85 189 A S S > S+ 0 0 116 -2,-0.3 3,-2.3 2,-0.1 2,-0.1 -0.305 99.8 3.2 -70.6 165.3 16.1 16.4 13.7 86 190 A G T 3 S+ 0 0 58 1,-0.3 4,-0.1 -2,-0.1 -2,-0.1 -0.352 142.0 8.3 60.9-125.8 19.3 14.5 13.3 87 191 A I T > S+ 0 0 74 -2,-0.1 3,-2.4 2,-0.1 -6,-0.3 0.687 102.6 119.1 -62.6 -12.8 19.1 10.9 14.6 88 192 A G T < S+ 0 0 8 -3,-2.3 -32,-0.2 1,-0.3 -6,-0.2 -0.244 80.1 12.8 -60.9 142.9 15.4 11.5 15.1 89 193 A G T 3 S+ 0 0 0 -7,-1.2 -1,-0.3 -8,-0.5 30,-0.1 0.101 92.2 139.6 81.0 -16.2 13.4 9.1 13.0 90 194 A D < - 0 0 17 -3,-2.4 -9,-2.3 -8,-0.2 2,-0.5 -0.266 39.8-151.1 -71.3 146.1 16.4 6.8 12.2 91 195 A A E -cD 57 80A 1 -35,-2.6 -33,-2.5 -11,-0.2 2,-0.4 -0.982 9.1-166.9-122.9 123.8 15.9 3.1 12.2 92 196 A H E -cD 58 79A 13 -13,-2.8 -13,-2.2 -2,-0.5 2,-0.4 -0.918 2.3-162.3-115.3 135.3 18.8 0.7 13.1 93 197 A F E -cD 59 78A 1 -35,-2.8 -33,-2.2 -2,-0.4 2,-0.6 -0.960 27.1-115.2-123.7 132.8 18.7 -3.0 12.5 94 198 A D E > -c 60 0A 0 -17,-2.2 3,-1.9 -2,-0.4 -33,-0.2 -0.549 17.3-157.4 -74.0 114.8 21.1 -5.4 14.2 95 199 A E T 3 S+ 0 0 16 -35,-2.5 -34,-0.2 -2,-0.6 -1,-0.2 0.697 87.3 75.2 -68.0 -18.8 23.3 -7.0 11.6 96 200 A D T 3 S+ 0 0 48 -36,-0.4 -1,-0.3 -24,-0.1 2,-0.2 0.617 83.9 81.7 -68.3 -13.3 24.0 -9.9 14.0 97 201 A E S < S- 0 0 7 -3,-1.9 2,-0.8 -20,-0.2 -77,-0.1 -0.628 90.0-120.0 -79.3 162.3 20.5 -11.1 13.1 98 202 A F - 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