==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MATRIX METALLOPROTEASE 06-AUG-98 456C . COMPND 2 MOLECULE: MMP-13; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.LOVEJOY,A.WELCH,S.CARR,C.LUONG,C.BROKA,R.T.HENDRICKS, . 319 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15708.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 54.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 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 . 1 0.3 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 . 29 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 20.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 2 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 3 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 PARALLEL BRIDGES PER LADDER . 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 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 1 110 A T 0 0 157 0, 0.0 2,-0.6 0, 0.0 119,-0.0 0.000 360.0 360.0 360.0 138.4 11.8 17.4 45.6 2 111 A L + 0 0 94 118,-0.2 2,-0.3 2,-0.0 81,-0.1 -0.771 360.0 123.1 -87.5 119.2 9.8 16.0 48.5 3 112 A K - 0 0 82 -2,-0.6 2,-0.5 78,-0.1 117,-0.1 -0.924 64.4 -74.8-159.4 179.0 7.2 13.6 47.2 4 113 A W - 0 0 22 115,-0.4 2,-1.1 -2,-0.3 5,-0.0 -0.789 28.9-146.6 -90.6 128.0 5.9 10.0 47.6 5 114 A S S S+ 0 0 118 -2,-0.5 2,-0.3 2,-0.0 -1,-0.1 -0.272 83.6 52.1 -87.9 46.7 8.0 7.4 46.0 6 115 A K S S- 0 0 83 -2,-1.1 -2,-0.1 1,-0.1 36,-0.0 -0.857 70.7-143.1-175.2 143.5 4.9 5.4 45.1 7 116 A M S S+ 0 0 65 -2,-0.3 36,-2.6 1,-0.1 2,-1.0 0.745 84.1 81.7 -86.8 -27.3 1.7 6.2 43.4 8 117 A N E +a 43 0A 98 34,-0.2 2,-0.4 36,-0.1 36,-0.2 -0.730 60.0 170.5 -87.5 101.9 -0.5 4.0 45.6 9 118 A L E -a 44 0A 0 34,-2.5 36,-1.8 -2,-1.0 2,-0.3 -0.925 19.3-148.4-114.1 136.5 -1.2 6.0 48.8 10 119 A T E -a 45 0A 31 -2,-0.4 44,-2.1 34,-0.2 43,-1.0 -0.699 9.7-163.7-102.6 154.8 -3.7 5.0 51.5 11 120 A Y E -ab 46 54A 12 34,-2.5 36,-3.0 -2,-0.3 2,-0.4 -1.000 5.1-164.3-142.5 137.3 -5.7 7.3 53.8 12 121 A R E -ab 47 55A 63 42,-1.2 44,-2.8 -2,-0.4 2,-0.9 -0.982 18.0-141.1-121.5 131.7 -7.6 6.7 57.0 13 122 A I E - b 0 56A 8 34,-0.7 44,-0.2 -2,-0.4 42,-0.1 -0.851 23.8-171.9 -90.5 103.9 -10.2 9.1 58.4 14 123 A V - 0 0 55 42,-2.4 -1,-0.2 -2,-0.9 2,-0.2 0.977 59.5 -4.4 -63.5 -63.1 -9.3 8.7 62.1 15 124 A N S S- 0 0 55 41,-0.5 2,-0.3 44,-0.0 44,-0.1 -0.509 76.3-113.5-119.0-166.8 -12.1 10.6 63.9 16 125 A Y - 0 0 49 -2,-0.2 6,-0.1 42,-0.1 5,-0.0 -0.994 14.0-117.7-142.6 144.4 -15.0 12.7 62.7 17 126 A T - 0 0 5 -2,-0.3 3,-0.4 1,-0.1 8,-0.1 -0.430 17.4-140.7 -74.6 143.0 -16.3 16.2 62.7 18 127 A P S S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.783 95.6 70.9 -72.7 -27.5 -19.6 16.9 64.5 19 128 A D S S+ 0 0 71 77,-0.2 2,-0.3 75,-0.1 78,-0.0 0.787 103.1 34.3 -60.8 -33.9 -20.7 19.3 61.7 20 129 A M S S- 0 0 11 -3,-0.4 2,-0.1 79,-0.1 79,-0.0 -0.856 85.5-103.8-127.8 159.1 -21.2 16.6 59.0 21 130 A T >> - 0 0 72 -2,-0.3 4,-2.6 1,-0.1 3,-0.5 -0.390 42.4-104.7 -72.6 159.0 -22.4 13.1 58.8 22 131 A H H 3> S+ 0 0 113 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.914 125.2 49.5 -49.8 -44.6 -19.8 10.3 58.4 23 132 A S H 3> S+ 0 0 72 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.796 107.5 52.8 -65.9 -34.6 -20.9 10.1 54.7 24 133 A E H <> S+ 0 0 63 -3,-0.5 4,-2.8 2,-0.2 5,-0.2 0.973 114.5 43.5 -64.3 -50.2 -20.6 13.9 54.2 25 134 A V H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.965 116.7 44.6 -57.5 -59.7 -17.1 13.8 55.6 26 135 A E H X S+ 0 0 36 -4,-3.1 4,-2.6 1,-0.2 3,-0.5 0.939 114.8 49.7 -50.2 -53.7 -16.0 10.7 53.7 27 136 A K H X S+ 0 0 102 -4,-2.6 4,-2.5 1,-0.3 -1,-0.2 0.904 109.6 50.3 -53.5 -49.6 -17.6 11.9 50.5 28 137 A A H X S+ 0 0 10 -4,-2.8 4,-1.6 1,-0.2 -1,-0.3 0.811 112.7 48.2 -60.9 -30.8 -15.9 15.3 50.7 29 138 A F H X S+ 0 0 0 -4,-1.9 4,-1.6 -3,-0.5 -1,-0.2 0.865 107.8 54.2 -77.9 -37.7 -12.6 13.5 51.2 30 139 A K H >X S+ 0 0 76 -4,-2.6 4,-2.4 2,-0.2 3,-0.8 0.980 110.9 45.8 -57.5 -55.2 -13.2 11.2 48.3 31 140 A K H 3X S+ 0 0 44 -4,-2.5 4,-1.9 1,-0.3 -1,-0.2 0.893 109.6 55.2 -54.6 -45.9 -13.8 14.2 46.0 32 141 A A H 3X S+ 0 0 0 -4,-1.6 4,-0.6 1,-0.2 -1,-0.3 0.782 111.1 44.0 -59.3 -34.0 -10.7 16.0 47.4 33 142 A F H XX S+ 0 0 4 -4,-1.6 4,-2.4 -3,-0.8 3,-0.7 0.877 108.4 57.7 -79.5 -38.0 -8.4 13.1 46.6 34 143 A K H 3X S+ 0 0 112 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.841 93.4 69.0 -59.1 -35.7 -9.9 12.5 43.2 35 144 A V H 3< S+ 0 0 13 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.918 112.1 31.4 -48.6 -45.5 -9.0 16.1 42.3 36 145 A W H X< S+ 0 0 0 -3,-0.7 3,-1.3 -4,-0.6 4,-0.4 0.846 115.3 54.5 -84.8 -41.2 -5.4 15.0 42.4 37 146 A S H >< S+ 0 0 33 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.828 101.2 64.4 -64.7 -26.7 -5.6 11.4 41.2 38 147 A D T 3< S+ 0 0 85 -4,-2.5 -1,-0.2 1,-0.2 122,-0.2 0.619 109.6 36.6 -70.1 -15.7 -7.4 12.7 38.1 39 148 A V T < S+ 0 0 29 -3,-1.3 121,-0.2 -5,-0.2 -1,-0.2 0.302 123.5 33.3-121.5 10.8 -4.4 14.6 36.9 40 149 A T S < S- 0 0 5 -3,-0.8 118,-0.1 -4,-0.4 120,-0.1 -0.812 90.4 -98.5-149.4 178.4 -1.6 12.2 38.0 41 150 A P S S+ 0 0 50 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 0.195 76.2 133.7 -90.2 13.0 -1.1 8.4 38.3 42 151 A L - 0 0 4 -6,-0.3 2,-0.4 -5,-0.1 -34,-0.2 -0.452 41.1-159.5 -67.7 133.1 -1.8 8.7 42.0 43 152 A N E -a 8 0A 72 -36,-2.6 -34,-2.5 -2,-0.2 2,-0.6 -0.961 1.4-157.7-115.1 134.4 -4.2 6.1 43.5 44 153 A F E -a 9 0A 35 -2,-0.4 2,-0.5 -36,-0.2 -34,-0.2 -0.932 9.8-176.7-120.1 113.0 -6.0 6.8 46.8 45 154 A T E -a 10 0A 72 -36,-1.8 -34,-2.5 -2,-0.6 2,-0.3 -0.914 20.9-131.3-110.7 131.7 -7.4 3.9 48.8 46 155 A R E -a 11 0A 70 -2,-0.5 2,-0.4 -36,-0.2 -34,-0.2 -0.612 15.9-162.2 -83.2 140.2 -9.3 4.4 52.1 47 156 A L E -a 12 0A 49 -36,-3.0 -34,-0.7 -2,-0.3 5,-0.1 -0.963 13.4-156.7-119.8 134.3 -8.5 2.5 55.2 48 157 A H S S- 0 0 132 -2,-0.4 2,-0.3 -36,-0.2 -1,-0.1 0.700 79.6 -4.7 -83.5 -17.2 -11.0 2.2 58.1 49 158 A D S S+ 0 0 117 2,-0.1 -1,-0.1 -37,-0.0 -35,-0.0 -0.932 97.7 52.1-161.1 175.4 -8.2 1.5 60.6 50 159 A G S S- 0 0 36 -2,-0.3 2,-0.7 -3,-0.1 -3,-0.1 -0.216 96.7 -32.7 82.4-176.0 -4.4 1.0 60.9 51 160 A I + 0 0 154 -40,-0.0 2,-0.2 4,-0.0 -41,-0.1 -0.749 64.0 177.5 -86.6 110.0 -1.6 3.1 59.5 52 161 A A - 0 0 5 -2,-0.7 3,-0.3 -40,-0.1 -41,-0.2 -0.552 40.8-112.9 -99.7 172.1 -2.6 4.7 56.2 53 162 A D S S+ 0 0 36 -43,-1.0 2,-0.5 1,-0.3 -42,-0.2 0.813 109.5 37.9 -77.8 -30.6 -0.3 7.1 54.3 54 163 A I E S-b 11 0A 0 -44,-2.1 -42,-1.2 35,-0.1 2,-0.5 -0.863 74.9-166.3-126.5 92.8 -2.6 10.1 55.0 55 164 A M E -b 12 0A 34 -2,-0.5 35,-2.0 -3,-0.3 2,-0.4 -0.716 10.5-156.6 -82.5 118.3 -4.1 10.1 58.4 56 165 A I E +bc 13 90A 0 -44,-2.8 -42,-2.4 -2,-0.5 -41,-0.5 -0.814 17.5 173.1 -95.2 140.9 -7.0 12.6 58.5 57 166 A S E - c 0 91A 28 33,-1.7 35,-2.6 -2,-0.4 2,-0.5 -0.996 29.8-149.1-151.3 149.6 -8.0 14.1 61.9 58 167 A F E + c 0 92A 6 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.982 39.6 151.1-117.4 109.7 -10.3 16.7 63.3 59 168 A G E - c 0 93A 18 33,-1.8 35,-0.8 -2,-0.5 2,-0.3 -0.976 33.5-136.1-141.2 155.7 -8.9 18.1 66.5 60 169 A I - 0 0 78 -2,-0.3 10,-0.1 33,-0.2 33,-0.0 -0.746 64.0 -22.4-111.2 160.3 -8.9 21.4 68.4 61 170 A K S S+ 0 0 111 8,-0.3 8,-2.5 -2,-0.3 2,-0.5 -0.047 130.5 14.0 41.9-137.2 -6.2 23.3 70.1 62 171 A E S S+ 0 0 132 6,-0.3 -2,-0.2 1,-0.2 4,-0.1 -0.529 71.1 163.3 -66.7 116.2 -3.2 21.0 71.0 63 172 A H - 0 0 46 -2,-0.5 -1,-0.2 -4,-0.1 3,-0.1 0.068 69.3 -65.3-123.1 18.5 -4.0 17.9 68.9 64 173 A G S S+ 0 0 54 1,-0.3 2,-0.3 -5,-0.0 -2,-0.1 0.776 102.5 63.3 106.0 34.0 -0.6 16.2 69.0 65 174 A D S S- 0 0 10 160,-0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.945 90.2 -83.0-166.1-178.6 2.0 18.3 67.1 66 175 A F S S+ 0 0 121 -2,-0.3 -4,-0.0 1,-0.2 159,-0.0 0.080 110.8 70.2 -85.7 23.1 3.9 21.5 66.8 67 176 A Y S S- 0 0 126 -6,-0.1 -1,-0.2 11,-0.0 -4,-0.0 -0.476 71.9-170.2-139.8 66.0 1.0 23.2 65.1 68 177 A P - 0 0 59 0, 0.0 2,-0.4 0, 0.0 -6,-0.3 -0.179 26.8-110.1 -58.1 144.4 -1.8 23.7 67.7 69 178 A F - 0 0 5 -8,-2.5 -8,-0.3 1,-0.1 -7,-0.1 -0.667 14.8-145.9 -85.5 129.8 -5.2 24.8 66.6 70 179 A D - 0 0 79 -2,-0.4 -1,-0.1 1,-0.2 -10,-0.1 0.229 38.0-120.2 -74.9 12.7 -6.3 28.3 67.5 71 180 A G S S+ 0 0 2 4,-0.1 -1,-0.2 -10,-0.0 24,-0.2 -0.468 77.1 13.0 77.8-158.2 -10.0 27.6 68.0 72 181 A P S S- 0 0 93 0, 0.0 24,-0.2 0, 0.0 3,-0.1 -0.140 122.4 -5.0 -52.6 141.2 -12.6 29.4 65.8 73 182 A S S S+ 0 0 82 22,-0.2 -3,-0.1 1,-0.2 22,-0.1 -0.084 100.6 69.0 66.3-168.4 -11.1 31.2 62.8 74 183 A G S S+ 0 0 53 -5,-0.1 -1,-0.2 2,-0.0 2,-0.1 -0.275 101.9 25.9 60.8-142.9 -7.4 31.6 62.0 75 184 A L - 0 0 61 1,-0.2 -5,-0.2 -3,-0.1 3,-0.1 -0.312 65.1-178.9 -52.1 113.3 -5.7 28.3 61.0 76 185 A L - 0 0 27 1,-0.4 17,-2.2 -2,-0.1 2,-0.3 0.714 63.5 -29.0 -87.8 -29.9 -8.6 26.3 59.6 77 186 A A E -D 92 0A 10 15,-0.2 -1,-0.4 -3,-0.0 2,-0.3 -0.964 53.3-158.7-175.9 166.0 -6.4 23.3 58.9 78 187 A H E -D 91 0A 21 13,-2.5 13,-3.5 -2,-0.3 2,-0.3 -0.971 5.8-164.9-155.8 155.5 -2.8 22.1 58.0 79 188 A A E -D 90 0A 15 -2,-0.3 11,-0.2 11,-0.3 10,-0.1 -0.965 19.7-121.1-143.7 155.6 -1.2 19.1 56.5 80 189 A F - 0 0 21 9,-2.5 3,-0.1 6,-0.3 8,-0.1 -0.786 26.4-119.4-103.0 143.5 2.3 17.7 56.3 81 190 A P - 0 0 56 0, 0.0 7,-1.3 0, 0.0 8,-0.2 -0.114 58.5 -52.0 -69.1 175.8 4.2 17.0 53.0 82 191 A P S S+ 0 0 5 0, 0.0 6,-0.2 0, 0.0 37,-0.1 -0.073 86.4 99.8 -51.6 144.2 5.4 13.4 52.1 83 192 A G - 0 0 22 4,-0.3 -3,-0.1 -30,-0.1 -79,-0.0 -0.837 68.9 -63.0 155.0 167.6 7.4 11.5 54.7 84 193 A P S > S+ 0 0 88 0, 0.0 3,-2.5 0, 0.0 2,-0.8 -0.145 99.1 5.9 -71.4 170.4 7.1 8.8 57.4 85 194 A N T 3 S+ 0 0 99 1,-0.3 142,-0.1 3,-0.1 -2,-0.1 -0.401 142.7 1.1 63.0-100.8 5.0 9.0 60.5 86 195 A Y T > S+ 0 0 56 -2,-0.8 3,-2.5 140,-0.2 -6,-0.3 0.433 99.0 122.1 -97.0 -8.7 2.9 12.2 60.4 87 196 A G T < S+ 0 0 3 -3,-2.5 -4,-0.3 1,-0.3 3,-0.1 -0.374 83.0 16.4 -55.3 132.3 4.3 13.1 57.0 88 197 A G T 3 S+ 0 0 0 -7,-1.3 -1,-0.3 1,-0.3 30,-0.2 0.248 95.7 134.0 87.6 -14.5 1.3 13.5 54.7 89 198 A D < - 0 0 17 -3,-2.5 -9,-2.5 -8,-0.2 2,-0.4 -0.382 43.8-146.6 -73.0 147.2 -1.2 13.6 57.5 90 199 A A E -cD 56 79A 0 -35,-2.0 -33,-1.7 -11,-0.2 2,-0.4 -0.943 9.8-165.7-120.3 136.6 -3.9 16.3 57.5 91 200 A H E -cD 57 78A 23 -13,-3.5 -13,-2.5 -2,-0.4 2,-0.4 -0.981 0.5-166.9-124.6 131.3 -5.4 18.1 60.5 92 201 A F E -cD 58 77A 0 -35,-2.6 -33,-1.8 -2,-0.4 2,-0.6 -0.935 27.8-117.8-117.0 133.1 -8.7 20.1 60.5 93 202 A D E > -c 59 0A 0 -17,-2.2 3,-1.6 -2,-0.4 -33,-0.2 -0.603 16.7-156.1 -74.5 114.6 -9.7 22.4 63.4 94 203 A D T 3 S+ 0 0 35 -35,-0.8 -34,-0.2 -2,-0.6 -1,-0.1 0.188 88.0 73.6 -76.1 17.0 -12.9 21.1 64.8 95 204 A D T 3 S+ 0 0 59 -36,-0.2 2,-0.3 -24,-0.2 -1,-0.3 0.235 84.5 84.2-106.3 6.2 -13.7 24.6 66.1 96 205 A E S < S- 0 0 10 -3,-1.6 2,-0.9 -24,-0.2 -77,-0.2 -0.832 91.8-111.4-108.3 144.5 -14.4 25.6 62.5 97 206 A T - 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