==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-NOV-03 1RMZ . COMPND 2 MOLECULE: MACROPHAGE METALLOELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.BERTINI,V.CALDERONE,M.FRAGAI,C.LUCHINAT,S.MANGANI,B.TERNI . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8266.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 49.7 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 . 9 5.7 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 . 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 1 0 0 1 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 0 175 0, 0.0 3,-0.1 0, 0.0 120,-0.0 0.000 360.0 360.0 360.0 170.7 -0.2 19.1 -15.0 2 106 A G - 0 0 40 119,-0.3 120,-0.0 1,-0.2 121,-0.0 0.257 360.0 -44.2 -90.5-172.9 3.4 19.0 -13.8 3 107 A P - 0 0 78 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.207 58.8-177.0 -60.4 139.6 5.7 16.0 -13.6 4 108 A V - 0 0 32 -3,-0.1 2,-0.3 78,-0.1 117,-0.1 -0.955 37.3 -96.7-127.0 157.2 4.3 12.8 -12.2 5 109 A W - 0 0 23 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.566 29.3-143.3 -66.2 127.5 5.8 9.4 -11.4 6 110 A R S S+ 0 0 236 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.097 82.3 54.3 -86.2 35.4 5.0 7.2 -14.4 7 111 A K S S- 0 0 92 1,-0.0 -2,-0.1 0, 0.0 36,-0.0 -0.951 73.0-139.2-156.8 158.9 4.6 4.2 -12.1 8 112 A H S S+ 0 0 94 -2,-0.3 36,-3.1 35,-0.1 2,-0.6 0.549 86.0 78.7-102.2 -10.6 2.5 3.6 -9.0 9 113 A Y E +a 44 0A 129 34,-0.2 2,-0.4 36,-0.1 36,-0.2 -0.895 64.7 177.5-100.2 115.7 5.2 1.7 -7.0 10 114 A I E -a 45 0A 0 34,-3.0 36,-1.9 -2,-0.6 2,-0.3 -0.976 15.2-149.7-128.7 130.5 7.6 4.3 -5.5 11 115 A T E -a 46 0A 24 -2,-0.4 44,-2.6 34,-0.2 43,-0.3 -0.713 11.5-173.2-100.0 151.7 10.6 3.8 -3.3 12 116 A Y E -ab 47 55A 10 34,-2.0 36,-2.9 -2,-0.3 2,-0.3 -0.965 5.3-168.2-137.0 156.0 12.1 6.1 -0.6 13 117 A R E - b 0 56A 58 42,-2.0 44,-2.8 -2,-0.3 2,-0.8 -0.990 23.4-130.3-140.8 139.3 15.2 6.0 1.6 14 118 A I E - b 0 57A 14 34,-0.4 44,-0.2 -2,-0.3 3,-0.1 -0.840 20.3-168.4 -87.4 107.2 16.1 8.2 4.6 15 119 A N - 0 0 87 42,-2.8 2,-0.3 -2,-0.8 43,-0.2 0.843 65.9 -10.9 -62.6 -43.7 19.7 9.4 3.8 16 120 A N - 0 0 48 41,-0.7 2,-0.4 44,-0.0 -1,-0.2 -0.972 66.8-118.0-156.9 167.7 20.3 10.7 7.3 17 121 A Y - 0 0 46 -2,-0.3 6,-0.1 -3,-0.1 41,-0.0 -0.934 22.7-121.5-123.5 129.7 18.7 11.5 10.6 18 122 A T > - 0 0 4 -2,-0.4 3,-0.8 1,-0.1 8,-0.1 -0.450 15.0-139.9 -61.4 138.9 18.2 14.7 12.4 19 123 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.524 93.3 80.8 -74.1 -6.8 19.7 14.7 16.0 20 124 A D T 3 S+ 0 0 42 77,-0.1 2,-0.3 2,-0.1 78,-0.0 0.772 98.5 36.5 -67.9 -25.1 16.7 16.6 17.2 21 125 A M S < S- 0 0 24 -3,-0.8 2,-0.1 79,-0.1 79,-0.1 -0.870 92.8 -94.5-129.4 154.2 14.6 13.4 17.4 22 126 A N > - 0 0 78 -2,-0.3 4,-1.6 1,-0.1 3,-0.4 -0.404 39.9-120.7 -61.3 144.2 15.0 9.8 18.2 23 127 A R H > S+ 0 0 153 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.910 113.2 54.9 -58.5 -43.1 15.7 7.7 15.1 24 128 A E H > S+ 0 0 149 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.845 106.2 52.5 -56.0 -38.9 12.6 5.6 15.6 25 129 A D H > S+ 0 0 65 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.844 108.1 49.7 -72.1 -32.9 10.5 8.7 15.7 26 130 A V H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 5,-0.3 0.938 111.4 48.9 -67.3 -47.8 11.9 10.0 12.4 27 131 A D H X S+ 0 0 40 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.907 113.5 48.1 -56.4 -44.6 11.2 6.6 10.8 28 132 A Y H X S+ 0 0 119 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.930 110.4 49.6 -64.1 -47.7 7.7 6.7 12.2 29 133 A A H X S+ 0 0 10 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.924 114.8 44.9 -58.1 -47.1 7.0 10.3 11.1 30 134 A I H X S+ 0 0 1 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.923 112.9 49.5 -65.8 -45.3 8.1 9.6 7.5 31 135 A R H X S+ 0 0 115 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.929 112.4 48.8 -58.9 -45.6 6.3 6.3 7.2 32 136 A K H X S+ 0 0 61 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.880 108.4 54.1 -62.1 -39.2 3.1 8.0 8.5 33 137 A A H X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.901 109.9 46.1 -65.3 -40.6 3.5 10.9 6.0 34 138 A F H X S+ 0 0 4 -4,-2.0 4,-2.6 1,-0.2 3,-0.4 0.910 108.6 57.5 -66.1 -40.9 3.7 8.5 3.0 35 139 A Q H X S+ 0 0 73 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.850 97.5 61.9 -54.7 -40.3 0.7 6.6 4.4 36 140 A V H < S+ 0 0 25 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.912 112.3 36.6 -53.7 -47.8 -1.4 9.8 4.3 37 141 A W H >< S+ 0 0 0 -4,-1.0 3,-1.4 -3,-0.4 4,-0.3 0.873 113.5 55.9 -75.8 -38.5 -0.9 10.0 0.5 38 142 A S H >< S+ 0 0 38 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.879 100.2 63.3 -57.8 -34.9 -1.1 6.2 -0.1 39 143 A N T 3< S+ 0 0 113 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.553 110.7 35.5 -71.0 -11.7 -4.5 6.2 1.7 40 144 A V T < S+ 0 0 33 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.2 0.228 118.7 43.8-126.7 14.8 -6.1 8.5 -1.0 41 145 A T S < S- 0 0 23 -3,-1.1 118,-0.1 -4,-0.3 114,-0.1 -0.884 85.8-105.4-142.7 173.8 -4.3 7.2 -4.2 42 146 A P S S+ 0 0 62 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 0.284 78.5 127.1 -82.5 11.1 -3.3 4.0 -5.9 43 147 A L - 0 0 4 -6,-0.3 2,-0.4 -5,-0.1 -2,-0.2 -0.460 44.2-161.1 -78.7 141.1 0.3 4.7 -4.9 44 148 A K E -a 9 0A 128 -36,-3.1 -34,-3.0 -2,-0.2 2,-0.4 -0.987 5.3-157.3-121.0 127.3 2.3 2.2 -3.1 45 149 A F E -a 10 0A 31 -2,-0.4 2,-0.5 -36,-0.2 -34,-0.2 -0.914 5.9-169.4-110.9 131.7 5.5 3.2 -1.1 46 150 A S E -a 11 0A 33 -36,-1.9 -34,-2.0 -2,-0.4 2,-0.4 -0.973 15.9-140.0-122.6 121.7 8.4 0.9 -0.2 47 151 A K E -a 12 0A 61 -2,-0.5 2,-0.4 -36,-0.2 -34,-0.2 -0.691 16.4-163.7 -77.0 131.0 11.1 1.9 2.2 48 152 A I - 0 0 36 -36,-2.9 -34,-0.4 -2,-0.4 3,-0.1 -0.927 13.6-163.6-114.4 143.5 14.6 0.9 1.2 49 153 A N S S+ 0 0 124 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.729 78.7 19.6 -94.4 -24.0 17.4 0.9 3.7 50 154 A T S S+ 0 0 125 2,-0.1 -1,-0.3 -37,-0.0 2,-0.2 -0.993 103.3 20.4-146.4 137.3 20.2 0.7 1.2 51 155 A G S S- 0 0 40 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.1 -0.670 94.1 -6.6 110.8-161.1 20.5 1.4 -2.6 52 156 A M + 0 0 178 -2,-0.2 2,-0.3 4,-0.0 -2,-0.1 -0.575 59.3 173.6 -80.8 125.7 18.6 3.4 -5.2 53 157 A A - 0 0 28 -2,-0.4 -41,-0.2 1,-0.1 3,-0.1 -0.964 35.8-135.2-129.5 156.2 15.4 5.0 -4.2 54 158 A D S S+ 0 0 28 -2,-0.3 2,-0.7 -43,-0.3 -42,-0.2 0.953 97.5 39.8 -69.4 -53.5 13.0 7.4 -6.0 55 159 A I E S-b 12 0A 0 -44,-2.6 -42,-2.0 35,-0.1 2,-0.5 -0.888 72.0-165.7-105.3 111.8 12.5 9.8 -3.0 56 160 A L E -b 13 0A 34 -2,-0.7 35,-2.3 -44,-0.2 2,-0.5 -0.862 9.5-149.7 -94.2 128.6 15.6 10.5 -0.9 57 161 A V E +bc 14 91A 2 -44,-2.8 -42,-2.8 -2,-0.5 -41,-0.7 -0.883 23.3 179.6 -98.9 124.7 14.8 12.1 2.4 58 162 A V E - c 0 92A 18 33,-2.5 35,-2.7 -2,-0.5 2,-0.5 -0.970 25.7-157.5-133.2 136.9 17.7 14.4 3.6 59 163 A F E + c 0 93A 7 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.983 37.8 144.8-108.2 124.5 18.4 16.6 6.6 60 164 A A E - c 0 94A 21 33,-2.2 35,-2.4 -2,-0.5 36,-0.4 -0.964 35.2-131.5-152.4 166.8 20.9 19.3 5.7 61 165 A R - 0 0 149 -2,-0.3 33,-0.0 33,-0.2 -2,-0.0 -0.850 58.3 -23.2-125.4 160.7 21.8 22.9 6.5 62 166 A G S S+ 0 0 21 -2,-0.3 8,-2.7 7,-0.1 2,-0.5 -0.034 122.8 6.8 47.6-135.8 22.7 26.0 4.5 63 167 A A S S+ 0 0 90 6,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.649 72.6 168.5 -77.9 123.2 24.1 25.3 1.1 64 168 A H - 0 0 41 -2,-0.5 -1,-0.1 2,-0.2 3,-0.1 -0.008 58.8 -77.3-140.1 31.3 23.8 21.6 0.6 65 169 A G S S+ 0 0 79 1,-0.4 2,-0.2 0, 0.0 -2,-0.1 0.329 102.2 84.8 102.8 -8.1 24.4 20.7 -3.0 66 170 A D S S- 0 0 18 2,-0.0 -1,-0.4 21,-0.0 -2,-0.2 -0.535 94.4 -98.4-116.0-175.9 21.4 21.7 -5.0 67 171 A D S S+ 0 0 160 -2,-0.2 2,-0.2 1,-0.2 -4,-0.0 0.257 104.3 80.1 -99.0 32.6 20.9 25.1 -6.2 68 172 A H - 0 0 106 -6,-0.1 -1,-0.2 11,-0.0 -2,-0.0 -0.663 65.6-163.3-137.7 70.5 18.6 26.0 -3.2 69 173 A A - 0 0 65 -2,-0.2 -6,-0.3 -3,-0.1 -7,-0.1 -0.250 19.0-121.2 -61.2 140.6 20.5 26.8 -0.1 70 174 A F - 0 0 12 -8,-2.7 3,-0.1 1,-0.1 -1,-0.1 -0.288 15.4-136.7 -75.2 172.1 18.7 26.9 3.3 71 175 A D - 0 0 85 1,-0.5 -1,-0.1 5,-0.4 2,-0.1 -0.027 38.6 -99.3-134.0 24.3 18.6 30.0 5.3 72 176 A G S S- 0 0 21 3,-0.1 -1,-0.5 4,-0.0 24,-0.1 -0.309 78.8 -8.5 81.5-172.9 19.2 29.2 9.0 73 177 A K S S+ 0 0 157 -3,-0.1 24,-0.2 23,-0.1 2,-0.1 -0.357 120.0 1.9 -64.2 139.6 16.7 28.9 11.7 74 178 A G S S+ 0 0 28 1,-0.2 -3,-0.3 2,-0.0 2,-0.1 -0.352 98.5 71.9 78.4-163.6 13.1 29.9 10.7 75 179 A G S S+ 0 0 67 -2,-0.1 2,-0.3 -5,-0.1 -1,-0.2 -0.332 103.3 23.2 58.2-129.1 12.2 31.1 7.2 76 180 A I - 0 0 96 1,-0.2 -5,-0.4 -3,-0.1 3,-0.1 -0.572 64.4-178.2 -70.6 127.5 12.3 28.2 4.8 77 181 A L - 0 0 34 1,-0.4 17,-2.6 -2,-0.3 2,-0.3 0.693 61.4 -20.8 -95.7 -30.0 11.8 24.9 6.7 78 182 A A E -D 93 0A 12 15,-0.3 -1,-0.4 -19,-0.0 2,-0.3 -0.957 53.7-160.8-172.3 159.7 12.1 22.4 3.9 79 183 A H E -D 92 0A 37 13,-2.3 13,-3.2 -2,-0.3 2,-0.3 -0.970 6.0-161.7-153.0 160.8 11.8 22.0 0.1 80 184 A A E -D 91 0A 23 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.974 16.4-126.1-146.7 151.7 11.3 19.1 -2.4 81 185 A F - 0 0 45 9,-2.2 8,-0.3 6,-0.3 3,-0.1 -0.793 30.8-115.9-100.0 142.2 11.7 18.4 -6.0 82 186 A G - 0 0 30 -2,-0.3 7,-1.5 1,-0.2 8,-0.2 -0.176 57.6 -53.9 -70.2 171.8 8.9 17.1 -8.2 83 187 A P S S+ 0 0 12 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.088 86.2 101.3 -54.3 140.6 9.1 13.7 -9.8 84 188 A G - 0 0 33 4,-0.2 -3,-0.1 -3,-0.1 -79,-0.0 -0.894 69.7 -60.9 163.9 173.2 12.1 13.0 -12.0 85 189 A S S > S- 0 0 118 -2,-0.3 3,-2.3 2,-0.1 2,-0.2 -0.287 98.9 -1.3 -75.3 163.8 15.4 11.2 -12.0 86 190 A G T 3 S+ 0 0 65 1,-0.3 4,-0.1 3,-0.1 -2,-0.1 -0.348 142.5 7.9 63.3-121.7 18.3 11.9 -9.6 87 191 A I T > S+ 0 0 71 -2,-0.2 3,-2.3 2,-0.1 -6,-0.3 0.681 104.4 114.6 -68.2 -18.0 17.4 14.7 -7.2 88 192 A G T < S+ 0 0 8 -3,-2.3 -32,-0.2 1,-0.3 -4,-0.2 -0.241 82.3 17.0 -48.6 138.8 13.8 14.6 -8.7 89 193 A G T 3 S+ 0 0 0 -7,-1.5 -1,-0.3 -8,-0.3 30,-0.1 0.190 93.9 139.0 81.9 -20.5 11.4 13.5 -5.9 90 194 A D < - 0 0 15 -3,-2.3 -9,-2.2 -8,-0.2 2,-0.5 -0.300 40.6-151.5 -72.3 144.6 13.9 14.3 -3.1 91 195 A A E -cD 57 80A 0 -35,-2.3 -33,-2.5 -11,-0.2 2,-0.4 -0.969 10.1-166.4-117.2 120.8 12.7 16.0 0.1 92 196 A H E -cD 58 79A 11 -13,-3.2 -13,-2.3 -2,-0.5 2,-0.4 -0.933 2.9-162.1-115.3 132.4 15.1 18.2 2.1 93 197 A F E -cD 59 78A 2 -35,-2.7 -33,-2.2 -2,-0.4 2,-0.5 -0.941 26.3-117.3-116.9 132.7 14.6 19.4 5.6 94 198 A D E > -c 60 0A 0 -17,-2.6 3,-1.9 -2,-0.4 -33,-0.2 -0.565 16.6-157.2 -73.9 114.3 16.5 22.3 7.1 95 199 A E T 3 S+ 0 0 22 -35,-2.4 -34,-0.2 -2,-0.5 -1,-0.2 0.678 87.7 74.7 -67.9 -17.1 18.5 21.0 10.0 96 200 A D T 3 S+ 0 0 58 -36,-0.4 -1,-0.3 -24,-0.1 2,-0.2 0.641 85.7 79.8 -72.1 -10.6 18.7 24.5 11.5 97 201 A E S < S- 0 0 7 -3,-1.9 2,-0.8 -20,-0.2 -77,-0.1 -0.540 91.0-117.8 -79.7 161.3 15.0 23.9 12.5 98 202 A F - 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