==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 23-AUG-12 4GQL . COMPND 2 MOLECULE: MACROPHAGE METALLOELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.A.STURA,L.VERA,F.BEAU,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) . 8204.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 51.6 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 . 14 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 20.1 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 99 0, 0.0 121,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 57.2 2.5 19.1 -11.2 2 106 A G + 0 0 54 119,-0.1 2,-0.1 1,-0.1 121,-0.0 0.719 360.0 6.7 103.3 167.1 4.9 18.9 -13.0 3 107 A P - 0 0 78 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.398 65.8-159.0 -65.6 155.5 6.9 15.7 -13.6 4 108 A V - 0 0 56 78,-0.1 2,-0.2 -3,-0.1 117,-0.1 -0.929 26.0 -97.7-129.7 155.7 5.7 12.5 -12.0 5 109 A W - 0 0 23 115,-0.3 5,-0.0 -2,-0.3 115,-0.0 -0.531 27.3-145.5 -65.1 140.9 7.2 9.2 -11.0 6 110 A R S S+ 0 0 241 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.000 77.9 52.6-103.0 31.1 6.6 6.7 -13.7 7 111 A K S S- 0 0 96 1,-0.0 -2,-0.1 0, 0.0 36,-0.0 -0.955 71.6-136.6-154.4 162.7 6.3 3.8 -11.3 8 112 A H S S+ 0 0 96 -2,-0.3 36,-2.6 35,-0.1 2,-0.5 0.386 85.2 77.2-109.4 0.2 4.3 3.1 -8.1 9 113 A Y E +a 44 0A 126 34,-0.2 2,-0.4 36,-0.0 36,-0.2 -0.972 61.7 174.7-111.5 116.7 7.0 1.5 -6.0 10 114 A I E -a 45 0A 0 34,-2.7 36,-1.7 -2,-0.5 2,-0.3 -0.977 15.2-153.4-129.0 128.9 9.3 4.2 -4.6 11 115 A T E -a 46 0A 12 -2,-0.4 44,-2.5 34,-0.2 43,-0.7 -0.744 8.1-167.3-101.4 154.7 12.2 3.8 -2.2 12 116 A Y E -ab 47 55A 11 34,-2.2 36,-2.7 -2,-0.3 2,-0.4 -0.957 3.5-164.4-134.4 157.1 13.6 6.3 0.2 13 117 A R E - b 0 56A 72 42,-2.0 44,-2.9 -2,-0.3 2,-0.9 -0.998 21.6-132.2-140.0 136.7 16.7 6.5 2.3 14 118 A I E - b 0 57A 13 -2,-0.4 44,-0.2 34,-0.4 3,-0.1 -0.807 20.4-169.0 -88.0 105.4 17.6 8.7 5.2 15 119 A N - 0 0 76 42,-2.7 2,-0.3 -2,-0.9 43,-0.2 0.833 66.0 -12.2 -63.9 -36.3 21.1 10.0 4.3 16 120 A N - 0 0 49 41,-0.7 2,-0.4 -3,-0.1 -1,-0.2 -0.972 67.9-116.4-163.9 164.6 21.8 11.5 7.8 17 121 A Y - 0 0 48 -2,-0.3 6,-0.1 -3,-0.1 41,-0.0 -0.925 20.8-122.2-121.3 133.6 20.0 12.4 11.0 18 122 A T > - 0 0 3 -2,-0.4 3,-0.9 1,-0.1 8,-0.1 -0.439 16.2-139.9 -63.8 138.7 19.5 15.7 12.7 19 123 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.581 92.5 82.5 -74.9 -4.1 20.9 15.7 16.3 20 124 A D T 3 S+ 0 0 41 77,-0.1 2,-0.3 75,-0.1 78,-0.0 0.732 100.5 25.4 -70.2 -24.8 17.8 17.6 17.3 21 125 A M S < S- 0 0 22 -3,-0.9 2,-0.1 79,-0.1 79,-0.1 -0.898 92.4 -96.2-132.3 159.1 15.7 14.4 17.7 22 126 A N > - 0 0 80 -2,-0.3 4,-2.0 1,-0.1 3,-0.4 -0.419 39.9-107.6 -77.9 162.9 16.5 10.8 18.4 23 127 A R H > S+ 0 0 139 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.892 116.3 52.9 -56.0 -46.5 16.9 8.4 15.4 24 128 A E H > S+ 0 0 120 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.829 108.6 50.4 -66.5 -32.0 13.7 6.5 16.0 25 129 A D H > S+ 0 0 61 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.873 110.1 49.7 -73.7 -34.3 11.6 9.7 16.1 26 130 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.954 112.3 47.9 -63.5 -50.3 13.1 10.9 12.9 27 131 A D H X S+ 0 0 42 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.916 113.0 49.4 -55.6 -43.7 12.4 7.5 11.3 28 132 A Y H X S+ 0 0 125 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.930 109.7 49.6 -64.4 -46.9 8.8 7.6 12.6 29 133 A A H X S+ 0 0 9 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.916 114.8 44.6 -58.8 -45.7 8.1 11.1 11.4 30 134 A I H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.927 112.7 50.4 -66.8 -44.4 9.3 10.3 7.9 31 135 A R H X S+ 0 0 121 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.930 112.8 46.8 -60.3 -44.3 7.5 7.0 7.7 32 136 A K H X S+ 0 0 63 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.862 108.6 55.5 -67.3 -33.5 4.2 8.6 8.8 33 137 A A H X S+ 0 0 0 -4,-1.9 4,-0.9 -5,-0.2 -1,-0.2 0.916 109.0 46.7 -66.4 -42.0 4.7 11.4 6.3 34 138 A F H >X S+ 0 0 4 -4,-2.2 4,-2.3 1,-0.2 3,-0.6 0.899 107.9 58.3 -61.3 -40.1 5.0 8.9 3.4 35 139 A Q H 3X S+ 0 0 67 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.840 95.3 63.6 -62.4 -34.2 2.0 7.1 4.7 36 140 A V H 3< S+ 0 0 20 -4,-1.6 -1,-0.2 1,-0.2 4,-0.2 0.917 111.3 37.4 -53.0 -45.1 -0.2 10.2 4.4 37 141 A W H X< S+ 0 0 0 -4,-0.9 3,-1.2 -3,-0.6 4,-0.3 0.852 113.2 54.2 -81.2 -36.8 0.4 10.2 0.6 38 142 A S H >< S+ 0 0 34 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.844 97.3 69.3 -64.2 -28.4 0.3 6.4 0.1 39 143 A N T 3< S+ 0 0 118 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.675 109.8 31.6 -62.2 -20.5 -3.1 6.4 1.9 40 144 A V T < S+ 0 0 33 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.217 119.5 46.3-125.9 14.2 -4.8 8.2 -1.1 41 145 A T S < S- 0 0 23 -3,-1.1 118,-0.1 -4,-0.3 114,-0.1 -0.870 86.4-104.2-141.4 175.7 -2.8 6.9 -4.1 42 146 A P S S+ 0 0 52 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 0.461 80.3 121.0 -80.7 -0.2 -1.5 3.7 -5.6 43 147 A L - 0 0 3 -6,-0.2 2,-0.4 -34,-0.1 -2,-0.2 -0.380 44.5-164.8 -72.2 142.6 2.0 4.6 -4.4 44 148 A K E -a 9 0A 154 -36,-2.6 -34,-2.7 -2,-0.1 2,-0.4 -0.987 4.1-158.1-125.0 137.7 4.0 2.4 -2.0 45 149 A F E -a 10 0A 34 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.959 7.2-173.5-118.4 129.4 7.1 3.6 -0.2 46 150 A S E -a 11 0A 48 -36,-1.7 -34,-2.2 -2,-0.4 2,-0.3 -0.986 20.1-134.6-122.3 132.0 9.9 1.4 1.3 47 151 A K E -a 12 0A 69 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.649 26.4-172.5 -77.0 133.7 12.8 2.6 3.4 48 152 A I - 0 0 36 -36,-2.7 -34,-0.4 -2,-0.3 3,-0.1 -0.953 25.6-171.9-126.2 153.5 16.1 1.2 2.4 49 153 A N S S+ 0 0 113 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.525 82.2 42.4-111.7 -17.0 19.5 1.5 4.1 50 154 A T S S+ 0 0 130 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 -0.998 99.4 32.6-135.9 131.7 21.5 -0.2 1.2 51 155 A G S S- 0 0 54 -2,-0.4 2,-0.8 -3,-0.1 -3,-0.1 -0.720 96.6 -47.8 118.5-171.7 21.0 0.6 -2.4 52 156 A M - 0 0 174 -2,-0.2 -41,-0.1 4,-0.0 2,-0.1 -0.870 55.9-160.8-108.3 96.3 19.9 3.4 -4.6 53 157 A A - 0 0 19 -2,-0.8 -41,-0.2 1,-0.1 3,-0.2 -0.442 19.0-139.0 -77.2 151.4 16.8 5.1 -3.2 54 158 A D S S+ 0 0 28 -43,-0.7 2,-0.6 1,-0.2 -42,-0.2 0.933 94.4 39.9 -68.7 -49.1 14.6 7.3 -5.3 55 159 A I E S-b 12 0A 0 -44,-2.5 -42,-2.0 35,-0.1 2,-0.5 -0.915 73.0-163.3-111.2 111.9 14.0 9.9 -2.6 56 160 A L E -b 13 0A 34 -2,-0.6 35,-2.6 -44,-0.2 2,-0.5 -0.832 9.1-150.0 -91.1 128.6 17.1 10.8 -0.4 57 161 A V E +bc 14 91A 3 -44,-2.9 -42,-2.7 -2,-0.5 -41,-0.7 -0.909 24.3 178.2-100.8 124.0 16.2 12.5 2.8 58 162 A V E - c 0 92A 18 33,-2.5 35,-2.9 -2,-0.5 2,-0.5 -0.976 27.5-155.1-132.6 138.9 19.0 14.9 3.9 59 163 A F E + c 0 93A 8 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.974 36.6 155.6-107.1 126.6 19.6 17.4 6.8 60 164 A A E - c 0 94A 19 33,-2.4 35,-2.8 -2,-0.5 36,-0.4 -0.940 32.9-121.9-149.0 172.9 22.1 20.0 5.7 61 165 A R - 0 0 177 -2,-0.3 33,-0.1 33,-0.2 -2,-0.0 -0.890 55.1 -46.1-125.7 138.7 23.2 23.6 6.4 62 166 A G S S+ 0 0 18 -2,-0.4 8,-2.4 7,-0.1 2,-0.7 -0.047 122.4 13.2 52.1-134.4 23.5 26.8 4.4 63 167 A A S S+ 0 0 91 6,-0.3 -2,-0.1 1,-0.1 6,-0.1 -0.708 75.6 167.6 -76.8 112.6 25.2 26.3 1.0 64 168 A H - 0 0 41 -2,-0.7 -1,-0.1 2,-0.2 3,-0.1 -0.035 61.9 -73.2-130.3 31.2 25.1 22.5 0.7 65 169 A G S S+ 0 0 82 1,-0.3 2,-0.2 2,-0.0 -2,-0.1 0.471 103.2 72.6 99.1 6.5 25.9 21.7 -2.9 66 170 A D S S- 0 0 31 2,-0.0 -1,-0.3 0, 0.0 -2,-0.2 -0.722 91.1 -89.1-137.4-172.5 22.8 22.7 -4.9 67 171 A D S S+ 0 0 157 1,-0.2 2,-0.2 -2,-0.2 -4,-0.0 0.210 107.2 72.4 -92.0 18.9 21.0 25.8 -6.1 68 172 A H - 0 0 90 -6,-0.1 -1,-0.2 11,-0.0 -4,-0.0 -0.579 68.9-172.6-131.9 68.9 18.8 26.2 -3.1 69 173 A A - 0 0 58 -2,-0.2 -6,-0.3 -3,-0.1 -7,-0.1 -0.301 21.1-123.8 -61.4 143.3 21.1 27.4 -0.3 70 174 A F - 0 0 15 -8,-2.4 -1,-0.1 1,-0.1 3,-0.1 -0.330 8.7-141.8 -85.4 175.3 19.6 27.6 3.1 71 175 A D - 0 0 88 1,-0.5 2,-0.1 5,-0.4 -1,-0.1 0.070 39.2-102.6-133.1 21.2 19.4 30.7 5.3 72 176 A G S S- 0 0 20 4,-0.1 -1,-0.5 3,-0.0 24,-0.1 -0.367 81.3 -3.1 78.0-166.9 20.0 29.8 8.9 73 177 A K S S+ 0 0 148 23,-0.1 24,-0.2 -3,-0.1 2,-0.1 -0.327 120.5 1.8 -64.0 135.6 17.3 29.6 11.5 74 178 A G S S+ 0 0 27 1,-0.1 -3,-0.3 2,-0.1 2,-0.2 -0.347 97.2 69.4 85.3-170.0 13.9 30.5 10.2 75 179 A G S S+ 0 0 67 -2,-0.1 2,-0.4 -5,-0.1 -1,-0.1 -0.378 103.7 24.5 63.4-125.3 12.9 31.5 6.7 76 180 A I - 0 0 59 -2,-0.2 -5,-0.4 1,-0.1 3,-0.1 -0.581 64.3-177.1 -74.1 130.3 13.2 28.6 4.4 77 181 A L - 0 0 35 1,-0.4 17,-2.6 -2,-0.4 2,-0.3 0.687 61.3 -23.1 -97.7 -26.1 12.8 25.3 6.3 78 182 A A E -D 93 0A 10 15,-0.3 -1,-0.4 -19,-0.0 2,-0.3 -0.959 52.2-152.4-174.4 163.7 13.4 22.8 3.6 79 183 A H E -D 92 0A 18 13,-2.4 13,-3.1 -2,-0.3 2,-0.3 -0.969 9.0-161.9-153.3 155.3 13.3 22.2 -0.2 80 184 A A E -D 91 0A 20 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.989 17.4-124.6-141.7 146.3 12.7 19.2 -2.4 81 185 A F - 0 0 41 9,-2.6 8,-0.2 -2,-0.3 3,-0.1 -0.675 31.6-115.7 -90.0 141.4 13.3 18.3 -6.0 82 186 A G - 0 0 32 -2,-0.3 7,-1.6 1,-0.2 8,-0.2 -0.164 55.5 -57.0 -67.1 170.8 10.4 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 -0.149 86.5 96.5 -53.3 137.8 10.4 13.6 -9.6 84 188 A G S S- 0 0 34 4,-0.2 -3,-0.0 -3,-0.1 -79,-0.0 -0.894 70.9 -58.0 163.7 179.2 13.3 12.5 -11.8 85 189 A S S > S+ 0 0 117 -2,-0.3 3,-2.1 2,-0.1 2,-0.2 -0.262 97.7 0.8 -76.2 163.9 16.6 10.7 -11.7 86 190 A G T 3 S+ 0 0 64 1,-0.3 4,-0.1 3,-0.1 -2,-0.1 -0.365 141.1 6.7 65.6-123.7 19.6 11.5 -9.4 87 191 A I T > S+ 0 0 81 -2,-0.2 3,-2.2 2,-0.1 -6,-0.3 0.696 105.1 117.0 -69.5 -14.1 18.9 14.4 -7.2 88 192 A G T < S+ 0 0 8 -3,-2.1 -32,-0.2 1,-0.3 -4,-0.2 -0.203 79.8 15.7 -50.2 139.6 15.3 14.3 -8.5 89 193 A G T 3 S+ 0 0 0 -7,-1.6 -1,-0.3 1,-0.2 30,-0.1 0.189 92.3 138.8 82.9 -20.2 12.9 13.5 -5.7 90 194 A D < - 0 0 14 -3,-2.2 -9,-2.6 -8,-0.2 2,-0.5 -0.308 40.9-150.1 -72.2 145.9 15.4 14.3 -2.9 91 195 A A E -cD 57 80A 1 -35,-2.6 -33,-2.5 -11,-0.2 2,-0.4 -0.967 9.3-165.6-120.2 122.9 14.2 16.2 0.2 92 196 A H E -cD 58 79A 13 -13,-3.1 -13,-2.4 -2,-0.5 2,-0.4 -0.935 2.0-160.9-115.8 130.5 16.5 18.5 2.1 93 197 A F E -cD 59 78A 2 -35,-2.9 -33,-2.4 -2,-0.4 2,-0.6 -0.911 25.6-116.8-114.8 134.6 15.8 19.9 5.5 94 198 A D E > -c 60 0A 0 -17,-2.6 3,-2.0 -2,-0.4 -33,-0.2 -0.550 17.3-156.9 -76.8 114.1 17.6 22.9 7.0 95 199 A E T 3 S+ 0 0 39 -35,-2.8 -1,-0.2 -2,-0.6 -34,-0.2 0.715 86.4 75.6 -66.4 -16.9 19.6 21.8 10.0 96 200 A D T 3 S+ 0 0 67 -36,-0.4 -1,-0.3 -24,-0.1 2,-0.2 0.633 84.1 81.6 -72.2 -8.4 19.6 25.4 11.3 97 201 A E S < S- 0 0 6 -3,-2.0 2,-0.8 -20,-0.2 -77,-0.1 -0.517 90.0-118.3 -81.2 162.4 16.0 24.8 12.3 98 202 A F - 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