==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-DEC-04 1YCM . 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) . 9143.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 91 57.2 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 . 20 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 22.0 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 1 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 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 0 257 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.3 -5.7 34.8 11.9 2 106 A G - 0 0 60 2,-0.0 2,-0.2 0, 0.0 0, 0.0 0.363 360.0-163.5 146.7 65.6 -2.9 32.2 11.5 3 107 A P + 0 0 114 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.535 24.2 155.2 -70.5 133.9 -3.7 29.2 9.1 4 108 A V + 0 0 114 -2,-0.2 2,-0.3 2,-0.0 -2,-0.0 -0.973 5.2 137.9-158.1 151.0 -1.3 26.2 9.6 5 109 A W - 0 0 186 -2,-0.3 3,-0.1 3,-0.0 2,-0.0 -0.906 26.6-161.6-176.0 176.0 -1.3 22.5 9.0 6 110 A R S S- 0 0 170 -2,-0.3 2,-2.2 153,-0.1 -2,-0.0 -0.410 70.4 -72.2-174.3 73.9 1.1 19.7 7.7 7 111 A K + 0 0 86 1,-0.1 2,-2.3 2,-0.1 152,-0.1 -0.428 69.4 161.8 58.6 -79.1 -1.2 16.7 6.8 8 112 A H + 0 0 109 -2,-2.2 36,-2.9 151,-0.1 2,-0.8 -0.501 66.8 48.0 56.3 -72.3 -2.0 15.7 10.4 9 113 A Y E -a 44 0A 154 -2,-2.3 2,-1.4 34,-0.2 36,-0.2 -0.790 65.1-167.8-104.8 101.3 -5.0 13.6 9.2 10 114 A I E -a 45 0A 8 34,-1.6 36,-2.3 -2,-0.8 2,-0.5 -0.690 15.1-168.0 -81.8 91.8 -4.6 11.2 6.3 11 115 A T E +a 46 0A 43 -2,-1.4 44,-2.2 34,-0.2 43,-1.5 -0.749 13.9 175.3 -79.9 125.2 -8.2 10.4 5.6 12 116 A Y E -ab 47 55A 2 34,-2.7 36,-2.3 -2,-0.5 2,-0.3 -0.900 17.5-167.9-130.8 158.5 -8.4 7.4 3.1 13 117 A R E - b 0 56A 98 42,-0.5 44,-2.8 -2,-0.3 2,-0.3 -0.991 19.0-130.9-144.5 145.0 -11.1 5.2 1.6 14 118 A I E - b 0 57A 5 -2,-0.3 44,-0.2 42,-0.2 3,-0.1 -0.729 7.6-150.2 -91.0 147.2 -11.0 1.9 -0.3 15 119 A N S S- 0 0 86 42,-2.0 2,-0.3 1,-0.3 -1,-0.1 0.890 77.0 -12.2 -84.7 -44.3 -12.9 1.7 -3.6 16 120 A N - 0 0 66 41,-0.4 2,-0.4 44,-0.0 -1,-0.3 -0.925 67.5-120.9-153.2 171.6 -13.6 -2.1 -3.3 17 121 A Y - 0 0 63 -2,-0.3 6,-0.1 -3,-0.1 9,-0.0 -0.964 30.5-107.7-128.1 130.0 -12.5 -5.0 -1.3 18 122 A T > - 0 0 1 -2,-0.4 3,-1.4 1,-0.2 8,-0.2 -0.415 21.6-159.1 -63.5 114.2 -10.8 -8.3 -2.4 19 123 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.686 79.2 91.6 -68.4 -18.0 -13.6 -11.0 -2.1 20 124 A D T 3 S+ 0 0 43 2,-0.1 2,-0.2 3,-0.0 -2,-0.1 0.717 101.6 13.5 -42.2 -34.3 -10.6 -13.5 -2.1 21 125 A M S < S- 0 0 39 -3,-1.4 2,-0.3 79,-0.0 79,-0.0 -0.784 107.2 -66.8-132.5-179.6 -10.7 -13.1 1.8 22 126 A N >> - 0 0 94 -2,-0.2 4,-1.8 1,-0.1 3,-0.6 -0.579 45.9-125.3 -71.3 132.4 -13.1 -11.7 4.4 23 127 A R H 3> S+ 0 0 114 -2,-0.3 4,-2.9 1,-0.2 5,-0.4 0.818 108.4 64.0 -47.8 -40.4 -13.3 -7.9 4.0 24 128 A E H 3> S+ 0 0 162 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.961 107.2 42.2 -50.4 -55.3 -12.3 -7.4 7.7 25 129 A D H <> S+ 0 0 26 -3,-0.6 4,-2.9 2,-0.2 -1,-0.2 0.881 110.8 58.3 -55.1 -45.0 -8.9 -8.9 6.9 26 130 A V H X S+ 0 0 5 -4,-1.8 4,-1.6 1,-0.2 5,-0.2 0.964 113.9 35.4 -54.6 -57.8 -8.7 -6.9 3.6 27 131 A D H X S+ 0 0 10 -4,-2.9 4,-3.1 1,-0.2 -1,-0.2 0.822 113.7 62.8 -68.0 -27.5 -9.0 -3.6 5.3 28 132 A Y H X S+ 0 0 108 -4,-2.3 4,-3.2 -5,-0.4 5,-0.3 0.934 103.4 47.3 -59.7 -47.9 -7.0 -5.0 8.2 29 133 A A H X S+ 0 0 4 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.950 118.5 39.1 -57.8 -52.6 -4.0 -5.5 6.0 30 134 A I H X S+ 0 0 1 -4,-1.6 4,-2.7 -5,-0.2 -2,-0.2 0.886 116.6 52.9 -70.0 -37.6 -4.1 -2.0 4.4 31 135 A R H X S+ 0 0 108 -4,-3.1 4,-3.0 -5,-0.2 -2,-0.2 0.970 113.4 42.0 -55.3 -60.8 -5.1 -0.5 7.8 32 136 A K H X S+ 0 0 51 -4,-3.2 4,-2.7 2,-0.2 -2,-0.2 0.906 111.1 57.1 -58.0 -45.9 -2.1 -2.1 9.6 33 137 A A H X S+ 0 0 0 -4,-2.8 4,-1.1 -5,-0.3 -1,-0.2 0.929 112.5 41.0 -50.5 -52.7 0.2 -1.3 6.6 34 138 A F H >X S+ 0 0 1 -4,-2.7 4,-3.0 1,-0.2 3,-0.7 0.962 111.1 58.0 -53.7 -55.5 -0.8 2.4 7.0 35 139 A Q H 3X S+ 0 0 42 -4,-3.0 4,-1.7 1,-0.3 -2,-0.2 0.845 97.9 60.6 -49.5 -44.6 -0.5 2.1 10.8 36 140 A V H 3X S+ 0 0 6 -4,-2.7 4,-1.1 1,-0.2 3,-0.4 0.921 115.0 33.6 -47.6 -54.1 3.1 1.0 10.6 37 141 A W H XX S+ 0 0 0 -4,-1.1 4,-3.3 -3,-0.7 3,-0.6 0.911 113.1 60.6 -72.1 -41.1 4.1 4.2 8.9 38 142 A S H 3< S+ 0 0 19 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.686 104.1 53.6 -58.0 -22.8 1.5 6.2 10.9 39 143 A N H 3< S+ 0 0 116 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.864 117.6 33.1 -75.4 -43.6 3.4 5.0 14.0 40 144 A V H << S+ 0 0 50 -4,-1.1 -2,-0.2 -3,-0.6 -3,-0.1 0.895 117.3 54.6 -84.9 -49.4 6.9 6.3 12.8 41 145 A T S < S- 0 0 6 -4,-3.3 114,-0.1 -5,-0.1 113,-0.0 -0.499 91.2-118.3 -77.2 158.0 5.8 9.3 10.9 42 146 A P S S+ 0 0 108 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.467 77.6 122.3 -75.1 -1.0 3.7 12.0 12.7 43 147 A L - 0 0 10 -6,-0.2 2,-0.6 1,-0.1 -34,-0.2 -0.392 55.0-149.3 -62.2 139.8 0.9 11.3 10.1 44 148 A K E -a 9 0A 90 -36,-2.9 -34,-1.6 -2,-0.1 -1,-0.1 -0.893 13.4-154.2-114.4 97.1 -2.4 10.1 11.6 45 149 A F E -a 10 0A 31 -2,-0.6 2,-0.2 -36,-0.2 -34,-0.2 -0.298 13.5-177.6 -64.6 153.8 -4.2 7.8 9.1 46 150 A S E -a 11 0A 36 -36,-2.3 -34,-2.7 -37,-0.0 2,-0.4 -0.810 14.9-151.6-155.6 113.8 -8.0 7.5 9.2 47 151 A K E -a 12 0A 54 -2,-0.2 2,-0.4 -36,-0.2 -34,-0.2 -0.713 16.1-178.7 -82.5 139.6 -10.2 5.2 7.1 48 152 A I + 0 0 47 -36,-2.3 3,-0.2 -2,-0.4 5,-0.0 -0.935 18.5 178.4-139.3 114.3 -13.7 6.4 6.4 49 153 A N S S+ 0 0 46 -2,-0.4 2,-0.6 1,-0.2 -1,-0.1 0.643 79.2 60.9 -80.2 -15.7 -16.2 4.3 4.3 50 154 A T S S+ 0 0 130 2,-0.1 2,-0.3 -37,-0.0 -1,-0.2 -0.842 106.3 4.2-124.4 89.2 -18.8 7.0 4.9 51 155 A G S S- 0 0 44 -2,-0.6 2,-0.4 -3,-0.2 -3,-0.0 -0.991 98.5 -41.1 145.8-143.4 -18.0 10.5 3.5 52 156 A M - 0 0 183 -2,-0.3 2,-0.2 -40,-0.0 -2,-0.1 -0.974 50.4-160.9-127.4 131.2 -15.1 12.0 1.5 53 157 A A - 0 0 29 -2,-0.4 -41,-0.2 1,-0.1 -6,-0.1 -0.633 25.1-126.3-109.9 167.2 -11.4 11.2 2.0 54 158 A D S S+ 0 0 107 -43,-1.5 2,-0.2 -2,-0.2 -42,-0.2 0.935 95.6 26.8 -79.9 -50.6 -8.2 13.0 1.1 55 159 A I E S-b 12 0A 4 -44,-2.2 -42,-0.5 34,-0.1 2,-0.3 -0.635 73.3-145.1-106.7 169.1 -6.7 9.9 -0.7 56 160 A L E -b 13 0A 66 -2,-0.2 35,-2.5 31,-0.2 2,-0.7 -0.998 8.8-140.1-138.6 135.7 -8.3 6.9 -2.4 57 161 A V E -bc 14 91A 0 -44,-2.8 -42,-2.0 -2,-0.3 2,-1.1 -0.873 19.4-158.3-100.7 102.6 -7.1 3.3 -2.6 58 162 A V E - c 0 92A 39 33,-2.5 35,-2.6 -2,-0.7 2,-0.9 -0.692 11.2-177.2 -89.2 88.7 -7.8 2.0 -6.2 59 163 A F E + c 0 93A 7 -2,-1.1 2,-0.3 33,-0.2 35,-0.2 -0.794 18.7 170.1 -81.8 105.4 -8.0 -1.8 -6.1 60 164 A A E - c 0 94A 18 33,-2.1 35,-2.2 -2,-0.9 36,-0.9 -0.907 26.8-141.7-123.9 151.8 -8.5 -2.6 -9.9 61 165 A R - 0 0 173 -2,-0.3 3,-0.1 34,-0.3 11,-0.1 -0.927 69.8 -41.9-123.6 99.9 -8.4 -5.9 -11.6 62 166 A G S S+ 0 0 45 -2,-0.6 2,-0.3 9,-0.2 -1,-0.1 0.842 116.3 89.5 54.1 43.3 -6.8 -6.2 -15.1 63 167 A A + 0 0 51 8,-0.1 -1,-0.2 2,-0.0 -3,-0.1 -0.910 35.0 80.8-157.3 176.4 -8.5 -3.0 -16.2 64 168 A H S S- 0 0 84 -2,-0.3 2,-0.5 -3,-0.1 6,-0.1 0.444 78.1 -83.2 82.0 137.7 -8.3 0.8 -16.4 65 169 A G S S+ 0 0 77 4,-0.1 2,-0.3 3,-0.1 3,-0.1 -0.623 77.6 116.2 -72.5 117.7 -6.5 2.8 -19.2 66 170 A D S S- 0 0 72 -2,-0.5 3,-0.3 1,-0.2 4,-0.1 -0.875 73.4-105.0-156.3-177.1 -2.8 3.0 -18.3 67 171 A D S S+ 0 0 162 -2,-0.3 2,-0.7 1,-0.2 -1,-0.2 0.937 122.6 14.5 -75.9 -65.7 0.6 1.8 -19.7 68 172 A H S S+ 0 0 105 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 -0.681 85.4 162.4-107.6 69.9 1.0 -0.9 -17.1 69 173 A A - 0 0 16 -2,-0.7 2,-0.3 -3,-0.3 -1,-0.2 0.976 59.5 -53.7 -56.6 -75.8 -2.6 -0.8 -15.8 70 174 A F - 0 0 18 -3,-0.1 2,-0.3 -6,-0.1 -1,-0.2 -0.919 53.7-163.7-160.5 166.7 -2.8 -4.2 -14.0 71 175 A D - 0 0 55 5,-0.4 3,-0.3 1,-0.3 26,-0.2 -0.918 27.6 -83.2-153.8 168.9 -2.1 -7.8 -14.9 72 176 A G S S- 0 0 36 -2,-0.3 2,-2.0 1,-0.2 -1,-0.3 0.573 83.3 -23.4 -66.8-148.2 -2.9 -11.3 -13.6 73 177 A K S S+ 0 0 196 23,-0.1 2,-0.3 24,-0.1 -1,-0.2 -0.414 128.0 1.5 -70.1 78.8 -1.3 -13.5 -10.9 74 178 A G S S+ 0 0 31 -2,-2.0 -3,-0.2 -3,-0.3 2,-0.2 -0.922 93.9 80.7 135.7-159.2 2.2 -11.9 -11.0 75 179 A G S S+ 0 0 66 -2,-0.3 2,-0.3 -5,-0.1 -2,-0.0 -0.454 97.7 22.5 64.6-125.0 3.6 -9.0 -13.0 76 180 A I - 0 0 58 -2,-0.2 -5,-0.4 1,-0.2 -2,-0.3 -0.575 56.5-178.2 -77.2 132.3 2.6 -5.7 -11.4 77 181 A L - 0 0 42 -2,-0.3 17,-2.8 1,-0.3 2,-0.3 0.846 62.9 -33.0 -85.3 -63.1 1.7 -5.8 -7.7 78 182 A A E -D 93 0A 19 15,-0.2 2,-0.3 16,-0.1 -1,-0.3 -0.979 45.1-162.2-168.7 152.4 0.8 -2.1 -7.2 79 183 A H E +D 92 0A 20 13,-2.3 13,-2.3 -2,-0.3 2,-0.3 -0.999 21.1 149.4-151.2 138.8 1.4 1.6 -8.1 80 184 A A E -D 91 0A 3 -2,-0.3 2,-0.3 11,-0.3 11,-0.2 -0.897 25.5-141.5-163.5 162.2 0.5 4.8 -6.3 81 185 A F - 0 0 114 9,-2.2 8,-2.1 -2,-0.3 3,-0.2 -0.992 12.4-176.9-149.3 140.7 1.9 8.4 -6.0 82 186 A G S S+ 0 0 10 -2,-0.3 2,-1.5 36,-0.3 8,-0.1 0.811 75.7 45.9 -95.9 -87.3 2.1 11.0 -3.2 83 187 A P S S+ 0 0 120 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.429 93.7 86.1 -69.9 89.4 3.6 14.3 -4.4 84 188 A G S S- 0 0 53 -2,-1.5 2,-0.1 -3,-0.2 -3,-0.0 -0.950 75.3 -95.7-165.4 172.1 1.7 15.0 -7.6 85 189 A S S > S- 0 0 111 -2,-0.3 3,-2.2 4,-0.1 2,-0.3 -0.333 89.2 -1.3 -84.1 172.8 -1.5 16.6 -8.9 86 190 A G T 3 S+ 0 0 74 1,-0.3 4,-0.2 -2,-0.1 -2,-0.1 -0.190 142.4 24.4 52.9-103.5 -4.8 14.7 -9.7 87 191 A I T > S+ 0 0 78 -2,-0.3 3,-3.0 2,-0.1 -1,-0.3 0.942 99.1 113.6 -59.4 -40.2 -4.0 11.0 -9.0 88 192 A G T < S+ 0 0 15 -3,-2.2 -6,-0.3 1,-0.3 3,-0.1 0.163 76.3 30.7 -36.1 132.1 -1.2 12.2 -6.6 89 193 A G T 3 S+ 0 0 13 -8,-2.1 -1,-0.3 1,-0.3 -7,-0.1 -0.289 104.9 98.3 100.8 -43.3 -2.2 11.2 -3.0 90 194 A D < - 0 0 27 -3,-3.0 -9,-2.2 -4,-0.2 2,-0.4 -0.367 59.9-148.7 -91.6 160.0 -4.0 8.1 -4.3 91 195 A A E -cD 57 80A 0 -35,-2.5 -33,-2.5 -11,-0.2 2,-0.4 -0.989 4.0-157.5-138.7 125.2 -2.8 4.5 -4.5 92 196 A H E -cD 58 79A 13 -13,-2.3 -13,-2.3 -2,-0.4 2,-0.3 -0.860 10.6-171.2-111.8 139.6 -3.6 1.7 -7.0 93 197 A F E -cD 59 78A 0 -35,-2.6 -33,-2.1 -2,-0.4 2,-1.8 -0.959 34.7-106.1-136.0 148.4 -3.3 -2.0 -6.4 94 198 A D E > +c 60 0A 0 -17,-2.8 3,-1.3 -2,-0.3 -33,-0.2 -0.489 36.5 173.1 -73.3 82.2 -3.6 -5.2 -8.5 95 199 A E T 3 S+ 0 0 7 -35,-2.2 -34,-0.3 -2,-1.8 -1,-0.2 0.797 72.6 77.6 -61.1 -27.1 -6.9 -6.5 -7.3 96 200 A D T 3 S+ 0 0 53 -36,-0.9 -1,-0.3 -3,-0.1 -23,-0.1 0.888 84.7 80.3 -45.8 -43.4 -6.5 -9.0 -10.1 97 201 A E S < S- 0 0 4 -3,-1.3 2,-0.9 -26,-0.2 -24,-0.1 -0.200 87.0-122.8 -70.9 157.1 -4.1 -10.8 -7.7 98 202 A F - 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