==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-FEB-07 2OXZ . COMPND 2 MOLECULE: MACROPHAGE METALLOELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.CALDERONE,I.BERTINI,M.FRAGAI,C.LUCHINAT,M.MALETTA,K.J.YEO . 163 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8305.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 54.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 3.7 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 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 20.2 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 . 1 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 . 1 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 1 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 0 113 0, 0.0 120,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.8 -8.6 12.7 -2.4 2 107 A P - 0 0 65 0, 0.0 2,-0.3 0, 0.0 81,-0.1 -0.195 360.0-175.8 -60.1 143.7 -7.3 14.1 -5.7 3 108 A V - 0 0 33 78,-0.1 2,-0.3 79,-0.0 117,-0.1 -0.928 36.0-100.5-128.2 159.3 -9.0 13.7 -9.1 4 109 A W - 0 0 25 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.601 26.1-155.2 -71.2 137.5 -7.8 14.8 -12.6 5 110 A R + 0 0 211 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.184 68.5 73.0-108.5 39.2 -9.5 18.1 -13.5 6 111 A K - 0 0 88 1,-0.1 -2,-0.1 0, 0.0 3,-0.1 -0.974 67.8-143.4-148.7 154.5 -9.1 17.6 -17.2 7 112 A H S S+ 0 0 115 -2,-0.3 36,-2.9 1,-0.2 2,-0.8 0.804 84.8 65.9 -94.7 -33.4 -10.8 15.3 -19.8 8 113 A Y E +a 43 0A 182 34,-0.2 2,-0.3 36,-0.1 36,-0.2 -0.834 67.2 179.8 -95.3 117.6 -8.0 14.4 -22.1 9 114 A I E -a 44 0A 1 34,-3.1 36,-1.8 -2,-0.8 2,-0.3 -0.901 10.2-153.3-115.2 142.1 -5.5 12.3 -20.2 10 115 A T E -a 45 0A 36 -2,-0.3 44,-2.4 34,-0.2 43,-0.8 -0.850 8.0-168.8-115.7 147.8 -2.3 10.8 -21.7 11 116 A Y E -ab 46 54A 6 34,-2.7 36,-2.9 -2,-0.3 2,-0.4 -0.910 3.5-163.1-129.4 166.4 -0.2 7.8 -20.9 12 117 A R E - b 0 55A 70 42,-1.7 44,-2.7 -2,-0.3 2,-0.8 -0.979 20.5-135.0-144.3 133.3 3.2 6.5 -21.9 13 118 A I E - b 0 56A 12 34,-0.4 44,-0.2 -2,-0.4 3,-0.1 -0.789 19.2-166.8 -85.0 111.7 4.7 3.2 -21.6 14 119 A N - 0 0 83 42,-3.0 2,-0.3 -2,-0.8 43,-0.2 0.887 65.7 -18.9 -66.0 -40.0 8.2 3.9 -20.2 15 120 A N - 0 0 51 41,-0.6 2,-0.4 -3,-0.1 -1,-0.2 -0.953 69.3-109.1-165.0 170.8 9.6 0.4 -20.9 16 121 A Y - 0 0 62 -2,-0.3 6,-0.1 -3,-0.1 41,-0.0 -0.900 21.2-120.0-124.1 133.3 8.4 -3.1 -21.6 17 122 A T > - 0 0 0 -2,-0.4 3,-1.2 1,-0.1 8,-0.1 -0.493 16.3-142.1 -64.5 130.7 8.5 -6.3 -19.6 18 123 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.538 91.8 82.9 -69.3 -3.8 10.5 -9.0 -21.3 19 124 A D T 3 S+ 0 0 39 77,-0.1 2,-0.3 75,-0.1 -2,-0.0 0.631 97.4 34.9 -72.7 -19.0 7.8 -11.5 -20.0 20 125 A M S < S- 0 0 18 -3,-1.2 2,-0.2 79,-0.1 79,-0.1 -0.909 91.0 -89.6-131.8 165.6 5.5 -10.6 -22.9 21 126 A N > - 0 0 99 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.522 41.1-122.6 -65.2 143.9 5.3 -9.6 -26.6 22 127 A R H > S+ 0 0 147 2,-0.2 4,-2.3 1,-0.2 3,-0.4 0.886 111.8 52.0 -53.9 -48.9 5.4 -5.8 -27.0 23 128 A E H > S+ 0 0 145 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.925 107.6 54.1 -59.2 -42.3 2.1 -5.6 -28.9 24 129 A D H > S+ 0 0 42 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.819 107.4 49.9 -58.7 -33.8 0.5 -7.6 -26.0 25 130 A V H X S+ 0 0 0 -4,-1.6 4,-2.2 -3,-0.4 5,-0.3 0.966 112.6 47.8 -66.2 -48.2 1.8 -5.0 -23.4 26 131 A D H X S+ 0 0 52 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.885 114.7 46.1 -56.5 -46.6 0.4 -2.2 -25.6 27 132 A Y H X S+ 0 0 141 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.874 110.3 51.4 -65.9 -43.1 -3.0 -4.1 -25.9 28 133 A A H X S+ 0 0 10 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.896 115.4 41.8 -62.7 -43.4 -3.3 -4.9 -22.2 29 134 A I H X S+ 0 0 2 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.923 114.6 51.9 -76.3 -45.0 -2.7 -1.4 -21.0 30 135 A R H X S+ 0 0 136 -4,-2.4 4,-1.9 -5,-0.3 3,-0.3 0.947 111.4 47.2 -45.3 -56.8 -4.9 0.0 -23.8 31 136 A K H X S+ 0 0 54 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.856 109.5 54.0 -57.2 -39.9 -7.7 -2.3 -22.8 32 137 A A H X S+ 0 0 0 -4,-1.7 4,-0.9 1,-0.2 -1,-0.2 0.841 107.1 50.2 -68.7 -34.8 -7.3 -1.4 -19.1 33 138 A F H >X S+ 0 0 4 -4,-1.9 4,-2.0 -3,-0.3 3,-0.8 0.930 106.8 56.1 -67.8 -35.9 -7.7 2.3 -19.9 34 139 A Q H 3X S+ 0 0 68 -4,-1.9 4,-1.8 1,-0.3 -2,-0.2 0.804 96.4 65.1 -68.1 -33.4 -10.8 1.6 -21.9 35 140 A V H 3< S+ 0 0 14 -4,-1.6 -1,-0.3 1,-0.2 4,-0.2 0.899 110.5 37.3 -50.6 -44.5 -12.4 -0.1 -18.9 36 141 A W H X< S+ 0 0 0 -4,-0.9 3,-1.2 -3,-0.8 4,-0.4 0.867 113.3 52.0 -84.1 -39.4 -12.4 3.2 -17.1 37 142 A S H >< S+ 0 0 31 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.767 98.7 69.2 -70.6 -15.2 -13.2 5.6 -19.9 38 143 A N T 3< S+ 0 0 127 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.713 110.7 33.6 -67.0 -21.9 -16.3 3.3 -20.7 39 144 A V T < S+ 0 0 32 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.302 120.3 43.9-120.3 8.9 -17.8 4.6 -17.4 40 145 A T S < S- 0 0 20 -3,-0.6 114,-0.1 -4,-0.4 118,-0.0 -0.876 84.4-106.1-140.4 177.0 -16.5 8.2 -17.1 41 146 A P S S+ 0 0 62 0, 0.0 -4,-0.1 0, 0.0 -3,-0.0 0.609 79.5 116.4 -81.8 -2.2 -16.1 11.2 -19.4 42 147 A L - 0 0 3 -6,-0.2 2,-0.4 -34,-0.1 -2,-0.2 -0.210 50.5-155.0 -70.0 149.3 -12.3 10.8 -19.6 43 148 A K E -a 8 0A 134 -36,-2.9 -34,-3.1 2,-0.0 2,-0.4 -0.974 9.1-155.5-119.9 136.6 -10.4 10.1 -22.8 44 149 A F E -a 9 0A 31 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.963 11.1-177.4-117.0 132.8 -7.0 8.4 -22.7 45 150 A S E -a 10 0A 63 -36,-1.8 -34,-2.7 -2,-0.4 2,-0.4 -0.987 22.6-131.7-130.8 143.7 -4.3 8.6 -25.4 46 151 A K E -a 11 0A 60 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.728 24.9-173.9 -93.6 130.1 -0.9 6.9 -25.6 47 152 A I - 0 0 46 -36,-2.9 -34,-0.4 -2,-0.4 3,-0.1 -0.870 16.5-154.9-121.9 160.4 2.0 9.3 -26.4 48 153 A N S S+ 0 0 120 -2,-0.3 2,-0.3 -36,-0.1 -36,-0.1 0.304 70.9 45.0-118.7 3.9 5.5 8.0 -27.1 49 154 A T S S+ 0 0 114 2,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.988 94.5 1.6-153.6 151.1 7.5 11.0 -26.2 50 155 A G S S- 0 0 43 -2,-0.3 2,-0.5 -3,-0.1 -3,-0.1 -0.006 100.5 -10.3 65.0-169.0 7.8 13.5 -23.4 51 156 A M - 0 0 178 4,-0.0 2,-0.2 2,-0.0 3,-0.1 -0.506 59.9-170.4 -72.9 113.2 5.8 14.0 -20.2 52 157 A A - 0 0 13 -2,-0.5 3,-0.2 1,-0.1 -41,-0.2 -0.616 28.3-129.6 -92.5 158.9 2.6 11.8 -19.9 53 158 A D S S+ 0 0 27 -43,-0.8 2,-0.7 1,-0.3 -42,-0.2 0.955 103.9 34.9 -70.2 -50.3 0.0 12.2 -17.1 54 159 A I E S-b 11 0A 1 -44,-2.4 -42,-1.7 35,-0.1 2,-0.6 -0.910 78.3-161.7-109.9 104.7 0.2 8.5 -16.3 55 160 A L E -b 12 0A 42 -2,-0.7 35,-2.3 -3,-0.2 2,-0.6 -0.829 7.6-151.7 -85.9 120.4 3.7 6.9 -16.7 56 161 A V E +bc 13 90A 2 -44,-2.7 -42,-3.0 -2,-0.6 -41,-0.6 -0.836 22.1 179.7 -92.8 121.4 3.6 3.1 -17.0 57 162 A V E - c 0 91A 21 33,-2.4 35,-3.0 -2,-0.6 2,-0.6 -0.954 26.7-154.2-130.0 127.2 6.9 1.6 -15.6 58 163 A F E + c 0 92A 8 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.961 39.7 149.9 -96.7 121.8 8.1 -2.0 -15.2 59 164 A A E - c 0 93A 18 33,-2.2 35,-2.9 -2,-0.6 36,-0.4 -0.957 32.0-145.9-145.3 163.4 10.7 -2.0 -12.4 60 165 A R - 0 0 139 -2,-0.3 33,-0.0 33,-0.2 10,-0.0 -0.892 57.9 -15.6-129.7 157.7 12.1 -4.2 -9.6 61 166 A G S S+ 0 0 26 -2,-0.3 8,-3.1 7,-0.1 2,-0.4 -0.098 122.2 2.7 52.8-137.9 13.4 -3.7 -6.0 62 167 A A S S+ 0 0 92 6,-0.3 -2,-0.2 1,-0.1 4,-0.1 -0.630 71.5 171.6 -81.4 127.6 14.3 -0.1 -5.1 63 168 A H - 0 0 41 -2,-0.4 -1,-0.1 2,-0.3 3,-0.1 0.070 57.3 -79.6-139.2 28.9 13.3 2.1 -8.0 64 169 A G S S+ 0 0 85 1,-0.5 2,-0.2 0, 0.0 -2,-0.1 0.538 105.4 81.5 94.3 4.0 13.6 5.7 -7.2 65 170 A D S S- 0 0 35 21,-0.0 -1,-0.5 2,-0.0 -2,-0.3 -0.642 95.1-102.1-116.1-174.6 10.4 6.4 -5.3 66 171 A D S S+ 0 0 157 -2,-0.2 2,-0.5 1,-0.2 -4,-0.0 0.286 99.9 87.6 -98.6 20.9 10.1 5.5 -1.7 67 172 A H - 0 0 95 -6,-0.0 -1,-0.2 11,-0.0 11,-0.0 -0.586 65.9-160.6-121.1 78.6 8.1 2.3 -2.4 68 173 A A - 0 0 66 -2,-0.5 -6,-0.3 1,-0.1 2,-0.2 -0.129 15.9-125.7 -60.1 143.2 10.6 -0.6 -3.0 69 174 A F - 0 0 10 -8,-3.1 -1,-0.1 1,-0.1 3,-0.1 -0.491 14.1-142.2 -83.5 163.3 9.3 -3.7 -4.7 70 175 A D - 0 0 83 1,-0.4 -1,-0.1 5,-0.4 -10,-0.0 -0.046 35.5-104.5-121.7 31.2 9.8 -7.0 -2.9 71 176 A G S S- 0 0 18 3,-0.0 -1,-0.4 4,-0.0 24,-0.1 -0.200 78.8 -4.9 74.1-167.4 10.7 -9.7 -5.5 72 177 A K S S+ 0 0 165 23,-0.1 24,-0.2 -3,-0.1 3,-0.1 -0.288 118.0 6.8 -70.5 141.5 8.4 -12.3 -6.7 73 178 A G S S+ 0 0 28 1,-0.1 2,-0.3 3,-0.0 -3,-0.2 -0.273 97.9 60.9 87.3-174.6 4.9 -12.4 -4.9 74 179 A G S S+ 0 0 41 91,-0.1 91,-3.4 90,-0.1 2,-0.6 -0.379 103.4 32.7 62.6-117.3 3.5 -10.0 -2.4 75 180 A I B -E 164 0B 53 -2,-0.3 -5,-0.4 89,-0.2 89,-0.2 -0.639 64.1-177.1 -82.2 118.5 3.2 -6.5 -3.9 76 181 A L - 0 0 3 87,-2.4 17,-2.1 -2,-0.6 2,-0.3 0.803 60.7 -32.3 -85.4 -30.8 2.4 -6.8 -7.6 77 182 A A E -D 92 0A 0 86,-0.9 -1,-0.3 84,-0.5 2,-0.3 -0.943 55.2-150.0-176.3 165.1 2.4 -3.2 -8.6 78 183 A H E -D 91 0A 8 13,-2.6 13,-3.5 -2,-0.3 83,-0.3 -0.970 5.5-163.5-154.3 167.6 1.5 0.2 -7.3 79 184 A A E -D 90 0A 13 81,-1.4 2,-0.4 -2,-0.3 11,-0.2 -0.958 17.8-125.1-153.0 154.9 0.3 3.6 -8.5 80 185 A F - 0 0 36 9,-2.0 8,-1.0 6,-0.3 3,-0.1 -0.866 31.6-115.0-110.5 140.0 0.1 7.2 -7.4 81 186 A G - 0 0 31 -2,-0.4 7,-1.0 6,-0.2 8,-0.2 -0.106 57.3 -54.8 -69.8 174.2 -3.2 9.2 -7.3 82 187 A P S S+ 0 0 12 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.039 87.3 93.1 -53.9 143.0 -3.8 12.2 -9.5 83 188 A G S S- 0 0 36 4,-0.2 -3,-0.1 -3,-0.1 -79,-0.0 -0.869 71.5 -55.7 154.0 178.6 -1.3 15.1 -9.4 84 189 A S S > S+ 0 0 116 -2,-0.3 3,-2.7 2,-0.1 2,-0.1 -0.134 98.9 3.8 -80.3 172.5 1.8 16.4 -11.0 85 190 A G T 3 S+ 0 0 57 1,-0.3 -2,-0.1 3,-0.1 4,-0.1 -0.330 142.2 3.4 61.8-123.8 5.1 14.6 -11.5 86 191 A I T > S+ 0 0 97 -2,-0.1 3,-2.2 2,-0.1 -6,-0.3 0.551 102.4 118.8 -72.8 -11.7 4.8 11.0 -10.3 87 192 A G T < S+ 0 0 9 -3,-2.7 -4,-0.2 1,-0.2 -6,-0.2 -0.393 82.4 17.4 -50.3 131.3 1.1 11.6 -9.5 88 193 A G T 3 S+ 0 0 0 -7,-1.0 -1,-0.2 -8,-1.0 30,-0.1 0.144 92.7 137.5 91.4 -19.0 -0.8 9.2 -11.7 89 194 A D < - 0 0 14 -3,-2.2 -9,-2.0 -8,-0.2 2,-0.5 -0.344 38.8-155.4 -72.8 148.7 2.1 6.9 -12.4 90 195 A A E -cD 56 79A 1 -35,-2.3 -33,-2.4 -11,-0.2 2,-0.4 -0.982 7.6-166.9-127.4 120.9 1.7 3.1 -12.4 91 196 A H E -cD 57 78A 16 -13,-3.5 -13,-2.6 -2,-0.5 2,-0.4 -0.892 4.9-156.4-113.4 135.4 4.6 0.8 -11.7 92 197 A F E -cD 58 77A 1 -35,-3.0 -33,-2.2 -2,-0.4 2,-0.6 -0.951 26.2-115.5-115.9 126.1 4.6 -2.9 -12.2 93 198 A D E > -c 59 0A 0 -17,-2.1 3,-2.3 -2,-0.4 -33,-0.2 -0.468 18.5-158.1 -62.2 109.0 7.0 -5.3 -10.3 94 199 A E T 3 S+ 0 0 14 -35,-2.9 -34,-0.2 -2,-0.6 4,-0.2 0.759 87.4 74.8 -64.7 -21.4 9.2 -6.8 -13.0 95 200 A D T 3 S+ 0 0 46 -36,-0.4 -1,-0.3 -24,-0.1 2,-0.2 0.601 84.8 79.3 -67.4 -14.5 9.9 -9.6 -10.5 96 201 A E S < S- 0 0 9 -3,-2.3 2,-0.8 -20,-0.2 -77,-0.1 -0.509 92.3-114.9 -79.3 166.3 6.4 -10.9 -11.3 97 202 A F - 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