==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-MAR-05 1Z3J . COMPND 2 MOLECULE: MACROPHAGE METALLOELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.BERTINI,V.CALDERONE,M.COSENZA,M.FRAGAI,Y.M.LEE,C.LUCHINAT, . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9258.0 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 . 16 10.1 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 . 1 0.6 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 . 16 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 21.4 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 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 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 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 0 248 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -50.7 2.7 32.8 11.8 2 106 A G - 0 0 42 1,-0.0 2,-0.1 0, 0.0 0, 0.0 0.753 360.0-130.7-173.7-170.1 3.0 29.8 11.3 3 107 A P - 0 0 114 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.437 33.5-143.1 -68.4 152.1 3.5 26.0 10.7 4 108 A V - 0 0 96 -2,-0.1 2,-1.0 4,-0.0 4,-0.1 -0.951 15.3-152.3 136.2 36.7 2.4 24.2 8.6 5 109 A W - 0 0 120 1,-0.2 4,-0.1 2,-0.2 153,-0.0 -0.777 7.9-164.1 -94.6 101.3 1.1 20.7 7.7 6 110 A R S S- 0 0 134 -2,-1.0 -1,-0.2 152,-0.1 152,-0.0 0.788 94.3 -30.2 11.3 -77.0 1.5 19.4 4.5 7 111 A K + 0 0 86 -3,-0.1 2,-2.6 3,-0.0 -2,-0.2 0.458 63.6 170.4-137.0 -69.9 -1.2 17.0 5.8 8 112 A H S S+ 0 0 65 -4,-0.1 36,-3.0 2,-0.0 2,-0.6 -0.499 79.4 57.6 63.9 -66.5 -1.2 16.2 9.5 9 113 A Y E -a 44 0A 172 -2,-2.6 2,-0.7 34,-0.2 36,-0.2 -0.805 67.4-172.4 -96.5 117.6 -4.6 14.5 8.9 10 114 A I E -a 45 0A 5 34,-2.3 36,-2.7 -2,-0.6 2,-0.4 -0.827 4.8-174.0-109.2 91.3 -4.7 11.7 6.3 11 115 A T E -a 46 0A 49 -2,-0.7 43,-2.3 34,-0.2 44,-1.5 -0.741 13.9-176.7 -82.0 129.3 -8.3 10.6 5.7 12 116 A Y E -ab 47 55A 10 34,-2.4 36,-3.0 -2,-0.4 2,-0.3 -0.884 11.8-165.7-130.6 160.4 -8.3 7.5 3.5 13 117 A R E - b 0 56A 106 42,-0.6 44,-2.8 -2,-0.3 2,-0.3 -0.997 15.4-139.3-148.4 141.8 -11.0 5.4 1.8 14 118 A I E - b 0 57A 5 -2,-0.3 44,-0.1 42,-0.2 3,-0.1 -0.803 7.5-161.1 -97.1 146.9 -11.3 2.0 0.1 15 119 A N S S- 0 0 76 42,-1.3 2,-0.3 1,-0.4 -1,-0.1 0.834 73.6 -1.0 -96.4 -42.4 -13.5 1.8 -3.0 16 120 A N - 0 0 52 41,-0.4 2,-0.5 44,-0.0 -1,-0.4 -0.946 68.9-122.8-146.4 161.7 -14.1 -2.0 -3.1 17 121 A Y - 0 0 82 -2,-0.3 6,-0.1 -3,-0.1 42,-0.0 -0.935 30.5-116.3-113.5 124.8 -13.0 -5.0 -1.0 18 122 A T > - 0 0 2 -2,-0.5 3,-0.7 1,-0.1 8,-0.2 -0.381 14.7-147.1 -63.0 134.5 -11.1 -7.9 -2.6 19 123 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.651 85.2 86.3 -77.5 -18.3 -13.2 -11.2 -2.4 20 124 A D T 3 S+ 0 0 37 77,-0.2 2,-0.2 75,-0.1 78,-0.0 0.799 103.5 20.4 -49.7 -37.7 -9.9 -13.3 -2.2 21 125 A M S < S- 0 0 23 -3,-0.7 2,-0.2 79,-0.1 79,-0.0 -0.780 101.2 -84.7-123.9 169.8 -10.0 -12.7 1.6 22 126 A N >> - 0 0 104 -2,-0.2 4,-1.8 1,-0.1 3,-0.6 -0.558 44.2-112.3 -75.9 145.3 -12.8 -11.7 4.1 23 127 A R H 3> S+ 0 0 121 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.842 114.5 57.7 -47.5 -49.3 -13.4 -7.9 4.3 24 128 A E H 3> S+ 0 0 165 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.937 108.8 46.9 -53.1 -46.4 -12.1 -7.6 7.9 25 129 A D H <> S+ 0 0 30 -3,-0.6 4,-3.1 2,-0.2 -1,-0.2 0.914 111.0 53.6 -56.0 -45.4 -8.8 -9.1 6.8 26 130 A V H X S+ 0 0 3 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.962 115.0 37.4 -58.9 -57.7 -8.7 -6.7 3.8 27 131 A D H X S+ 0 0 16 -4,-2.8 4,-3.1 1,-0.2 -1,-0.2 0.827 115.0 59.3 -65.2 -27.4 -9.2 -3.6 5.8 28 132 A Y H X S+ 0 0 115 -4,-2.4 4,-3.0 -5,-0.4 5,-0.3 0.955 105.0 46.8 -65.0 -49.7 -6.9 -5.1 8.5 29 133 A A H X S+ 0 0 6 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.940 119.7 40.1 -53.1 -50.9 -4.0 -5.5 6.2 30 134 A I H X S+ 0 0 5 -4,-1.9 4,-2.8 -5,-0.2 -2,-0.2 0.891 113.5 54.5 -69.9 -39.7 -4.4 -2.0 5.0 31 135 A R H X S+ 0 0 160 -4,-3.1 4,-2.8 2,-0.2 -2,-0.2 0.954 114.0 41.2 -56.2 -54.1 -5.2 -0.6 8.4 32 136 A K H X S+ 0 0 48 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.941 111.8 56.0 -62.8 -48.9 -2.0 -2.1 9.8 33 137 A A H X S+ 0 0 0 -4,-2.9 4,-1.0 -5,-0.3 -2,-0.2 0.895 113.1 42.5 -46.3 -48.6 -0.0 -1.0 6.7 34 138 A F H X S+ 0 0 2 -4,-2.8 4,-2.5 1,-0.2 3,-0.4 0.951 110.3 56.2 -60.7 -51.7 -1.2 2.5 7.4 35 139 A Q H X S+ 0 0 78 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.821 97.9 64.8 -55.3 -37.4 -0.6 2.2 11.1 36 140 A V H >X S+ 0 0 2 -4,-2.5 4,-1.3 2,-0.2 3,-1.2 0.956 110.0 35.2 -46.3 -62.0 3.1 1.3 10.4 37 141 A W H 3X S+ 0 0 0 -4,-1.0 4,-3.2 -3,-0.4 3,-0.3 0.912 110.3 63.9 -68.9 -36.7 3.9 4.6 9.0 38 142 A S H 3< S+ 0 0 39 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.680 102.5 52.3 -59.8 -19.8 1.6 6.4 11.4 39 143 A N H << S+ 0 0 118 -3,-1.2 -1,-0.2 -4,-1.1 -2,-0.2 0.898 119.4 30.7 -80.7 -46.1 3.9 5.2 14.2 40 144 A V H < S+ 0 0 47 -4,-1.3 -2,-0.2 -3,-0.3 -3,-0.1 0.895 119.5 54.3 -79.6 -46.2 7.2 6.5 12.8 41 145 A T S < S- 0 0 6 -4,-3.2 114,-0.1 -5,-0.2 113,-0.0 -0.608 83.2-127.0 -86.2 152.8 5.8 9.5 10.9 42 146 A P S S+ 0 0 95 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.457 71.2 125.8 -74.1 -0.9 3.7 12.2 12.6 43 147 A L - 0 0 21 -6,-0.2 2,-1.0 1,-0.1 -34,-0.2 -0.474 54.7-148.9 -67.6 120.6 1.1 11.7 9.9 44 148 A K E -a 9 0A 144 -36,-3.0 -34,-2.3 -2,-0.3 2,-0.2 -0.785 18.3-165.1 -99.4 93.9 -2.2 10.9 11.6 45 149 A F E -a 10 0A 27 -2,-1.0 2,-0.3 -36,-0.2 -34,-0.2 -0.486 12.0-177.0 -82.2 156.1 -4.2 8.6 9.4 46 150 A S E -a 11 0A 61 -36,-2.7 -34,-2.4 -2,-0.2 2,-0.5 -0.910 17.8-144.0-150.2 118.3 -7.9 7.7 9.6 47 151 A K E -a 12 0A 52 -2,-0.3 2,-0.5 -36,-0.2 -34,-0.2 -0.747 19.3-175.1 -81.0 130.4 -9.8 5.3 7.4 48 152 A I - 0 0 41 -36,-3.0 -34,-0.1 -2,-0.5 3,-0.1 -0.989 18.9-175.0-125.1 118.4 -13.4 6.4 6.7 49 153 A N S S+ 0 0 52 -2,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.599 82.7 49.8 -78.8 -12.9 -15.6 4.1 4.8 50 154 A T S S+ 0 0 129 2,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.972 104.2 13.1-133.9 113.1 -18.2 7.0 4.8 51 155 A G S S- 0 0 50 -2,-0.4 2,-0.4 -3,-0.1 -3,-0.0 -0.948 97.3 -28.9 135.4-145.7 -17.5 10.6 3.8 52 156 A M - 0 0 182 -2,-0.3 2,-0.3 -40,-0.0 -2,-0.1 -0.900 52.7-170.4-111.9 136.1 -14.7 12.4 2.0 53 157 A A - 0 0 34 -2,-0.4 -41,-0.2 1,-0.1 3,-0.1 -0.847 28.3-134.8-122.1 160.0 -11.0 11.3 2.0 54 158 A D S S+ 0 0 87 -43,-2.3 2,-0.2 -2,-0.3 -42,-0.2 0.917 93.8 25.4 -76.2 -49.3 -7.7 12.9 0.9 55 159 A I E S-b 12 0A 6 -44,-1.5 -42,-0.6 34,-0.1 2,-0.3 -0.700 71.8-147.7-114.4 166.0 -6.6 9.7 -0.8 56 160 A L E -b 13 0A 58 31,-0.2 35,-2.0 -2,-0.2 2,-0.7 -0.998 11.9-136.3-138.2 134.7 -8.3 6.6 -2.3 57 161 A V E -bc 14 91A 2 -44,-2.8 -42,-1.3 -2,-0.3 2,-0.4 -0.853 26.0-157.1 -90.0 113.2 -7.3 2.9 -2.6 58 162 A V E - c 0 92A 30 33,-2.3 35,-2.8 -2,-0.7 2,-0.4 -0.768 12.7-173.3 -91.0 137.7 -8.2 1.7 -6.1 59 163 A F E + c 0 93A 11 -2,-0.4 2,-0.2 33,-0.2 35,-0.1 -0.965 25.3 146.0-127.8 108.9 -8.7 -2.1 -6.7 60 164 A A - 0 0 21 33,-0.9 36,-0.6 -2,-0.4 35,-0.5 -0.513 37.3-133.9-123.3-168.6 -9.1 -2.8 -10.5 61 165 A R - 0 0 179 34,-0.2 9,-0.1 -2,-0.2 33,-0.1 -0.920 65.4 -23.0-155.7 130.1 -8.2 -5.7 -12.8 62 166 A G S S+ 0 0 31 -2,-0.3 2,-0.5 7,-0.1 34,-0.1 -0.357 125.4 13.9 61.8-143.1 -6.5 -5.4 -16.2 63 167 A A + 0 0 97 1,-0.2 -2,-0.1 -3,-0.1 4,-0.1 -0.496 63.2 157.1 -75.5 117.3 -7.0 -2.1 -17.9 64 168 A H S S- 0 0 55 -2,-0.5 -1,-0.2 2,-0.2 3,-0.1 0.224 78.9 -64.6-120.0 9.5 -8.3 0.5 -15.5 65 169 A G S S+ 0 0 75 1,-0.6 2,-0.3 2,-0.1 3,-0.1 0.779 107.7 100.7 95.5 44.3 -7.2 3.8 -17.2 66 170 A D S S- 0 0 57 1,-0.1 -1,-0.6 2,-0.0 -2,-0.2 -0.892 72.4-128.3-135.5 165.0 -3.4 3.4 -17.0 67 171 A D S S+ 0 0 163 -2,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.963 110.6 22.7 -76.6 -56.7 -1.2 2.3 -19.9 68 172 A H S S+ 0 0 163 1,-0.2 2,-2.7 -3,-0.1 8,-0.1 0.982 86.0 144.3 -69.6 -61.2 0.6 -0.4 -18.0 69 173 A A - 0 0 4 -6,-0.1 2,-0.3 -4,-0.1 -1,-0.2 -0.329 62.8 -15.4 64.0 -67.0 -2.1 -0.8 -15.3 70 174 A F - 0 0 20 -2,-2.7 7,-0.1 -3,-0.2 3,-0.1 -0.901 35.6-169.4-166.9 171.8 -1.9 -4.5 -14.6 71 175 A D - 0 0 70 1,-0.3 -2,-0.1 -2,-0.3 23,-0.0 0.120 45.1-117.6-174.6 21.0 -0.7 -7.9 -15.7 72 176 A G S S+ 0 0 13 1,-0.0 2,-0.7 25,-0.0 -1,-0.3 -0.317 86.8 18.3 54.5-142.6 -2.4 -10.6 -13.5 73 177 A K S S- 0 0 186 23,-0.2 2,-0.3 -3,-0.1 4,-0.1 -0.441 125.8 -12.6 -70.8 106.3 -0.0 -12.7 -11.4 74 178 A G S S+ 0 0 27 -2,-0.7 -3,-0.2 2,-0.2 2,-0.1 -0.819 92.5 85.6 110.9-150.4 3.4 -10.9 -11.1 75 179 A G S S+ 0 0 72 -2,-0.3 2,-0.4 -5,-0.1 -1,-0.1 -0.345 102.9 19.6 54.6-118.1 4.8 -7.9 -13.0 76 180 A I - 0 0 71 1,-0.2 -2,-0.2 -2,-0.1 -5,-0.2 -0.652 61.3-171.9 -77.0 127.1 3.5 -4.9 -11.2 77 181 A L S S- 0 0 36 -2,-0.4 17,-1.4 1,-0.3 2,-0.3 0.784 70.2 -29.6 -83.9 -39.2 2.4 -5.7 -7.6 78 182 A A E -D 93 0A 16 15,-0.2 2,-0.4 2,-0.1 -1,-0.3 -0.922 50.9-141.6-177.3 161.1 0.9 -2.2 -7.2 79 183 A H E +D 92 0A 32 13,-2.4 13,-2.9 -2,-0.3 2,-0.3 -0.990 30.1 145.0-140.0 121.8 1.1 1.5 -8.2 80 184 A A E -D 91 0A 3 -2,-0.4 2,-0.3 11,-0.3 11,-0.2 -0.927 19.4-166.5-151.4 159.3 0.6 4.6 -6.0 81 185 A F - 0 0 137 9,-1.1 8,-2.2 -2,-0.3 3,-0.1 -0.967 9.2-165.0-149.9 155.8 2.0 8.1 -5.8 82 186 A G S S+ 0 0 9 -2,-0.3 2,-1.8 6,-0.2 8,-0.1 0.741 77.1 47.6-103.7 -85.4 1.9 10.9 -3.2 83 187 A P S S+ 0 0 117 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.419 91.1 92.5 -70.2 84.5 3.1 14.4 -4.6 84 188 A G S S- 0 0 49 -2,-1.8 2,-0.1 -3,-0.1 -3,-0.1 -0.961 74.6 -94.2-160.5 167.0 1.2 14.6 -7.8 85 189 A S S > S- 0 0 115 -2,-0.3 3,-2.2 2,-0.1 2,-0.4 -0.309 86.6 -11.7 -78.0 166.6 -2.1 16.0 -9.2 86 190 A G T 3 S+ 0 0 73 1,-0.3 4,-0.2 -2,-0.1 -2,-0.1 -0.176 141.8 28.9 53.0-100.2 -5.4 14.1 -9.6 87 191 A I T > S+ 0 0 87 -2,-0.4 3,-3.0 2,-0.1 -1,-0.3 0.940 96.8 112.2 -59.5 -40.4 -4.4 10.4 -9.1 88 192 A G T < S+ 0 0 15 -3,-2.2 -6,-0.2 1,-0.3 3,-0.1 0.153 77.2 30.3 -38.5 134.6 -1.5 11.6 -6.8 89 193 A G T 3 S+ 0 0 9 -8,-2.2 -1,-0.3 1,-0.3 -34,-0.1 -0.276 100.9 106.4 99.2 -43.9 -2.3 10.4 -3.2 90 194 A D < - 0 0 27 -3,-3.0 -9,-1.1 -4,-0.2 2,-0.4 -0.369 57.9-148.3 -85.6 152.8 -4.2 7.4 -4.5 91 195 A A E -cD 57 80A 2 -35,-2.0 -33,-2.3 -11,-0.2 2,-0.6 -0.969 4.5-157.4-128.9 121.3 -2.9 3.8 -4.3 92 196 A H E -cD 58 79A 5 -13,-2.9 -13,-2.4 -2,-0.4 2,-0.3 -0.894 10.2-161.5-109.2 112.8 -3.8 1.1 -6.9 93 197 A F E -cD 59 78A 4 -35,-2.8 2,-2.4 -2,-0.6 -33,-0.9 -0.669 30.4-110.2 -98.0 151.4 -3.6 -2.6 -5.9 94 198 A D > + 0 0 1 -17,-1.4 3,-2.1 -2,-0.3 -33,-0.1 -0.414 42.2 169.8 -75.2 66.5 -3.4 -5.6 -8.2 95 199 A E T 3 S+ 0 0 34 -2,-2.4 -1,-0.2 -35,-0.5 -34,-0.2 0.881 73.4 69.2 -46.8 -41.3 -6.9 -7.0 -7.4 96 200 A D T 3 S+ 0 0 86 -36,-0.6 -1,-0.3 -3,-0.2 -23,-0.2 0.833 91.9 78.1 -49.7 -31.3 -6.4 -9.4 -10.4 97 201 A E S < S- 0 0 5 -3,-2.1 2,-0.8 -25,-0.2 -77,-0.2 -0.195 90.8-116.4 -71.8 165.5 -3.8 -11.1 -8.1 98 202 A F - 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