==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-DEC-04 1Y93 . 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 . 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) . 84 53.2 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 . 10 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 19.6 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 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 0 105 0, 0.0 120,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0-166.5 8.6 12.4 2.2 2 107 A P - 0 0 79 0, 0.0 2,-0.3 0, 0.0 81,-0.1 -0.318 360.0-176.9 -70.0 150.0 7.1 14.0 5.4 3 108 A V - 0 0 47 78,-0.1 2,-0.2 79,-0.0 117,-0.1 -0.961 36.1 -93.7-139.0 156.4 8.7 13.5 8.8 4 109 A W - 0 0 25 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.565 28.4-155.4 -70.6 140.0 7.8 14.6 12.3 5 110 A R S S+ 0 0 234 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.104 70.9 59.4-109.3 31.4 9.4 17.9 13.1 6 111 A K S S- 0 0 97 1,-0.1 -2,-0.1 0, 0.0 3,-0.0 -0.963 72.7-134.8-154.6 158.3 9.4 17.4 16.9 7 112 A H S S+ 0 0 113 -2,-0.3 36,-2.8 1,-0.1 2,-0.8 0.766 84.7 73.8 -94.2 -29.0 10.9 14.8 19.2 8 113 A Y E +a 43 0A 176 34,-0.2 2,-0.4 36,-0.1 36,-0.2 -0.817 63.4 179.4 -92.5 114.1 8.0 14.1 21.6 9 114 A I E -a 44 0A 1 34,-3.1 36,-2.0 -2,-0.8 2,-0.3 -0.921 11.7-152.4-116.5 135.8 5.5 12.0 19.7 10 115 A T E -a 45 0A 35 -2,-0.4 44,-2.5 34,-0.2 43,-0.5 -0.798 8.9-171.1-107.5 152.3 2.3 10.7 21.2 11 116 A Y E -ab 46 54A 6 34,-2.4 36,-2.9 -2,-0.3 2,-0.4 -0.954 3.4-163.9-134.2 156.6 0.3 7.7 20.4 12 117 A R E - b 0 55A 60 42,-2.0 44,-3.1 -2,-0.3 2,-0.9 -0.998 21.4-132.0-139.3 137.8 -3.1 6.5 21.6 13 118 A I E - b 0 56A 11 34,-0.4 44,-0.2 -2,-0.4 3,-0.1 -0.817 20.6-168.3 -90.9 107.5 -4.7 3.1 21.3 14 119 A N - 0 0 68 42,-2.9 2,-0.3 -2,-0.9 -1,-0.2 0.865 66.6 -14.8 -63.6 -40.9 -8.1 3.9 19.9 15 120 A N - 0 0 50 41,-0.7 2,-0.4 -3,-0.1 -1,-0.2 -0.960 70.0-115.1-162.0 161.6 -9.5 0.4 20.5 16 121 A Y - 0 0 43 -2,-0.3 6,-0.1 -3,-0.1 41,-0.0 -0.899 22.9-119.1-115.2 135.4 -8.2 -3.0 21.4 17 122 A T > - 0 0 3 -2,-0.4 3,-1.1 1,-0.1 8,-0.1 -0.442 15.2-139.6 -64.7 138.4 -8.3 -6.2 19.4 18 123 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.531 93.8 81.7 -74.0 -2.2 -10.3 -8.9 21.1 19 124 A D T 3 S+ 0 0 37 77,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.660 96.3 35.9 -72.7 -19.7 -7.5 -11.3 19.9 20 125 A M S < S- 0 0 21 -3,-1.1 2,-0.2 79,-0.1 79,-0.1 -0.886 91.2 -91.4-134.1 159.9 -5.2 -10.4 22.7 21 126 A N >> - 0 0 105 -2,-0.3 4,-1.8 1,-0.1 3,-0.8 -0.514 42.4-120.4 -65.9 142.5 -5.1 -9.5 26.4 22 127 A R H 3> S+ 0 0 173 1,-0.3 4,-2.4 2,-0.2 3,-0.3 0.903 112.5 51.5 -53.9 -46.5 -5.3 -5.7 26.8 23 128 A E H 3> S+ 0 0 140 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.806 106.9 54.8 -65.5 -28.5 -2.0 -5.5 28.6 24 129 A D H <> S+ 0 0 40 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.842 106.7 50.1 -73.5 -33.8 -0.3 -7.5 25.8 25 130 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 -3,-0.3 5,-0.3 0.951 111.8 49.1 -63.3 -48.7 -1.6 -5.0 23.2 26 131 A D H X S+ 0 0 48 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.932 114.6 44.7 -55.2 -47.3 -0.2 -2.2 25.3 27 132 A Y H X S+ 0 0 140 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.911 111.1 51.6 -68.9 -42.1 3.1 -3.9 25.6 28 133 A A H X S+ 0 0 8 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.922 114.4 43.9 -59.5 -44.9 3.5 -4.9 22.0 29 134 A I H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.922 113.4 50.8 -67.7 -44.3 2.8 -1.4 20.8 30 135 A R H X S+ 0 0 143 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.932 112.1 46.9 -57.1 -46.8 5.1 0.1 23.4 31 136 A K H X S+ 0 0 57 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.861 108.8 55.5 -66.5 -34.8 7.9 -2.2 22.5 32 137 A A H X S+ 0 0 0 -4,-2.0 4,-0.8 -5,-0.2 -1,-0.2 0.910 108.2 47.8 -65.7 -40.0 7.4 -1.5 18.8 33 138 A F H >X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 3,-0.9 0.906 106.8 58.2 -62.9 -41.7 7.7 2.2 19.4 34 139 A Q H 3X S+ 0 0 65 -4,-2.2 4,-2.1 1,-0.3 -1,-0.2 0.846 93.9 65.8 -58.3 -35.4 10.9 1.5 21.5 35 140 A V H 3< S+ 0 0 12 -4,-1.6 -1,-0.3 1,-0.2 4,-0.2 0.899 110.5 36.9 -51.4 -41.0 12.4 -0.2 18.5 36 141 A W H X< S+ 0 0 0 -3,-0.9 3,-1.2 -4,-0.8 4,-0.3 0.848 112.6 54.3 -86.1 -35.0 12.4 3.2 16.7 37 142 A S H >< S+ 0 0 33 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.770 99.1 68.0 -68.1 -20.0 13.2 5.4 19.7 38 143 A N T 3< S+ 0 0 121 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.719 111.4 30.4 -64.3 -24.0 16.3 3.2 20.2 39 144 A V T < S+ 0 0 29 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.187 121.2 45.9-127.1 13.0 17.8 4.5 17.0 40 145 A T S < S- 0 0 20 -3,-0.7 114,-0.1 -4,-0.3 113,-0.0 -0.890 85.7-105.8-142.0 173.1 16.5 8.0 16.8 41 146 A P S S+ 0 0 63 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.414 79.0 121.9 -79.9 3.7 16.0 11.1 19.0 42 147 A L - 0 0 6 -6,-0.3 2,-0.4 -34,-0.1 -2,-0.2 -0.340 46.6-160.1 -72.3 149.7 12.3 10.4 19.1 43 148 A K E -a 8 0A 124 -36,-2.8 -34,-3.1 2,-0.0 2,-0.4 -0.999 8.4-156.4-127.3 129.0 10.4 9.9 22.4 44 149 A F E -a 9 0A 24 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.893 10.7-177.6-111.9 139.2 7.1 8.1 22.4 45 150 A S E -a 10 0A 54 -36,-2.0 -34,-2.4 -2,-0.4 2,-0.4 -0.997 22.5-131.7-136.5 134.3 4.4 8.4 25.0 46 151 A K E -a 11 0A 68 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.693 23.7-167.9 -79.9 133.2 1.0 6.8 25.2 47 152 A I - 0 0 43 -36,-2.9 -34,-0.4 -2,-0.4 5,-0.1 -0.888 15.7-155.1-119.7 154.5 -1.9 9.1 25.9 48 153 A N S S+ 0 0 114 -2,-0.3 2,-0.3 1,-0.1 -36,-0.1 0.452 74.9 24.1-111.4 -2.6 -5.3 7.9 26.9 49 154 A T S S+ 0 0 117 2,-0.0 -1,-0.1 0, 0.0 2,-0.1 -0.962 96.4 29.7-153.6 163.4 -7.4 10.8 25.8 50 155 A G S S- 0 0 52 -2,-0.3 2,-0.7 -3,-0.1 -3,-0.1 -0.256 98.0 -29.9 81.8-168.7 -7.2 13.6 23.3 51 156 A M - 0 0 177 -2,-0.1 2,-0.2 4,-0.0 -41,-0.1 -0.776 58.6-169.6 -94.5 112.2 -5.5 13.9 20.0 52 157 A A - 0 0 12 -2,-0.7 3,-0.2 1,-0.1 -41,-0.2 -0.575 29.8-125.8 -88.7 162.3 -2.4 11.8 19.6 53 158 A D S S+ 0 0 26 -43,-0.5 2,-0.6 1,-0.3 -42,-0.2 0.940 103.9 36.3 -66.7 -47.6 0.1 12.0 16.8 54 159 A I E S-b 11 0A 0 -44,-2.5 -42,-2.0 35,-0.1 2,-0.5 -0.919 74.2-164.8-115.6 108.1 -0.3 8.3 16.1 55 160 A L E -b 12 0A 35 -2,-0.6 35,-2.4 -44,-0.2 2,-0.6 -0.829 10.5-149.9 -91.3 126.6 -3.7 6.8 16.6 56 161 A V E +bc 13 90A 1 -44,-3.1 -42,-2.9 -2,-0.5 -41,-0.7 -0.877 22.7 179.6 -99.4 122.9 -3.5 3.0 16.7 57 162 A V E - c 0 91A 18 33,-2.7 35,-3.0 -2,-0.6 2,-0.5 -0.968 25.4-154.6-128.9 139.0 -6.7 1.4 15.4 58 163 A F E + c 0 92A 7 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.967 37.8 145.2-106.5 127.6 -8.0 -2.1 14.9 59 164 A A E - c 0 93A 18 33,-2.3 35,-2.7 -2,-0.5 36,-0.4 -0.975 34.0-139.4-154.9 161.5 -10.6 -2.3 12.2 60 165 A R - 0 0 134 -2,-0.3 33,-0.0 33,-0.2 -2,-0.0 -0.896 60.2 -18.3-126.1 159.9 -11.8 -4.6 9.5 61 166 A G S S+ 0 0 24 -2,-0.3 8,-2.3 7,-0.1 2,-0.4 -0.131 123.8 6.9 50.7-138.9 -12.9 -4.1 5.9 62 167 A A + 0 0 92 6,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.628 69.9 168.4 -75.8 125.7 -14.0 -0.6 5.1 63 168 A H - 0 0 40 -2,-0.4 -1,-0.1 2,-0.3 3,-0.1 -0.019 59.9 -79.6-140.5 33.0 -13.1 1.6 8.1 64 169 A G S S+ 0 0 85 1,-0.4 2,-0.2 2,-0.0 -2,-0.1 0.446 104.4 83.9 94.7 0.4 -13.4 5.2 7.1 65 170 A D S S- 0 0 21 2,-0.0 -1,-0.4 21,-0.0 -2,-0.3 -0.580 94.0-102.0-114.1-173.4 -10.2 5.9 5.2 66 171 A D S S+ 0 0 162 -2,-0.2 2,-0.7 1,-0.2 -4,-0.0 0.423 101.3 84.5 -92.5 9.1 -10.0 5.1 1.6 67 172 A H - 0 0 99 -6,-0.0 -1,-0.2 11,-0.0 -2,-0.0 -0.697 64.5-166.2-120.8 76.6 -8.0 2.0 2.3 68 173 A A - 0 0 63 -2,-0.7 -6,-0.3 1,-0.1 2,-0.1 -0.275 18.8-120.0 -66.5 148.0 -10.2 -1.0 3.1 69 174 A F - 0 0 14 -8,-2.3 3,-0.1 1,-0.1 -1,-0.1 -0.338 12.9-137.8 -81.8 167.9 -8.9 -4.2 4.6 70 175 A D - 0 0 82 1,-0.5 -1,-0.1 5,-0.4 -10,-0.0 0.023 40.0-105.7-123.1 21.4 -9.2 -7.5 2.8 71 176 A G S S- 0 0 19 3,-0.0 -1,-0.5 4,-0.0 24,-0.1 -0.267 78.5 -5.7 74.9-170.6 -10.2 -10.0 5.4 72 177 A K S S+ 0 0 170 23,-0.1 24,-0.2 -3,-0.1 3,-0.1 -0.308 119.6 7.3 -60.8 135.8 -7.9 -12.6 6.8 73 178 A G S S+ 0 0 29 1,-0.2 -3,-0.3 2,-0.1 2,-0.2 -0.235 98.7 60.5 86.4-176.3 -4.5 -12.7 5.1 74 179 A G S S+ 0 0 68 -2,-0.1 2,-0.3 -5,-0.1 -1,-0.2 -0.432 104.9 31.7 63.0-124.9 -3.1 -10.3 2.5 75 180 A I + 0 0 84 -2,-0.2 -5,-0.4 1,-0.2 3,-0.1 -0.514 63.3 179.2 -67.0 126.0 -2.9 -6.8 3.9 76 181 A L - 0 0 30 1,-0.4 17,-2.7 -2,-0.3 2,-0.3 0.740 61.7 -26.2 -96.1 -31.0 -2.2 -7.1 7.6 77 182 A A E -D 92 0A 11 15,-0.3 -1,-0.4 -19,-0.0 2,-0.3 -0.967 54.1-155.4-172.4 163.8 -2.1 -3.4 8.5 78 183 A H E -D 91 0A 36 13,-2.6 13,-3.3 -2,-0.3 2,-0.3 -0.981 6.1-162.9-153.3 162.9 -1.3 -0.0 7.1 79 184 A A E -D 90 0A 20 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.993 17.4-123.1-149.0 153.6 -0.2 3.3 8.3 80 185 A F - 0 0 41 9,-2.5 8,-0.5 6,-0.3 3,-0.1 -0.753 31.3-113.3 -98.2 144.0 -0.1 6.9 7.2 81 186 A G - 0 0 33 -2,-0.3 7,-1.4 1,-0.2 8,-0.2 -0.134 57.1 -58.4 -68.1 168.1 3.1 9.0 7.0 82 187 A P S S+ 0 0 10 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.145 86.1 103.0 -51.9 138.4 3.7 11.9 9.2 83 188 A G - 0 0 35 4,-0.2 -3,-0.0 -3,-0.1 2,-0.0 -0.920 69.8 -62.2 165.8 173.0 1.1 14.6 9.0 84 189 A S S > S- 0 0 115 -2,-0.3 3,-2.4 2,-0.1 2,-0.1 -0.284 98.8 -0.9 -72.2 163.7 -1.9 16.1 10.7 85 190 A G T 3 S+ 0 0 53 1,-0.3 4,-0.1 3,-0.1 -2,-0.1 -0.320 142.3 8.9 63.5-121.0 -5.1 14.2 11.3 86 191 A I T > S+ 0 0 72 -2,-0.1 3,-2.4 2,-0.1 -6,-0.3 0.722 103.8 116.1 -68.6 -17.2 -4.9 10.7 9.9 87 192 A G T < S+ 0 0 8 -3,-2.4 -32,-0.2 1,-0.3 -6,-0.2 -0.206 81.7 15.1 -49.2 138.5 -1.2 11.3 9.3 88 193 A G T 3 S+ 0 0 0 -7,-1.4 -1,-0.3 -8,-0.5 30,-0.1 0.167 93.5 138.1 83.4 -22.0 0.8 9.0 11.4 89 194 A D < - 0 0 15 -3,-2.4 -9,-2.5 -8,-0.2 2,-0.5 -0.288 40.4-152.0 -71.8 149.1 -2.1 6.7 12.2 90 195 A A E -cD 56 79A 0 -35,-2.4 -33,-2.7 -11,-0.2 2,-0.4 -0.977 8.6-166.6-124.5 123.3 -1.6 3.0 12.2 91 196 A H E -cD 57 78A 12 -13,-3.3 -13,-2.6 -2,-0.5 2,-0.4 -0.935 3.4-160.0-116.3 133.8 -4.4 0.6 11.4 92 197 A F E -cD 58 77A 0 -35,-3.0 -33,-2.3 -2,-0.4 2,-0.6 -0.929 26.8-115.7-117.7 131.8 -4.4 -3.1 12.0 93 198 A D E > -c 59 0A 0 -17,-2.7 3,-2.1 -2,-0.4 -33,-0.2 -0.537 17.0-155.8 -72.9 114.7 -6.7 -5.4 10.2 94 199 A E T 3 S+ 0 0 13 -35,-2.7 -34,-0.2 -2,-0.6 -1,-0.2 0.681 88.2 74.1 -67.2 -16.4 -9.0 -7.0 12.8 95 200 A D T 3 S+ 0 0 50 -36,-0.4 -1,-0.3 -24,-0.1 2,-0.2 0.596 85.4 80.0 -75.0 -6.4 -9.6 -9.9 10.4 96 201 A E S < S- 0 0 7 -3,-2.1 2,-0.7 -20,-0.2 -77,-0.1 -0.533 90.1-120.4 -82.8 164.8 -6.1 -11.0 11.3 97 202 A F - 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