==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 11-NOV-06 2E2D . COMPND 2 MOLECULE: MATRIX METALLOPEPTIDASE 13; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.MASKOS,R.LANG,H.TSCHESCHE,W.BODE . 345 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16495.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 205 59.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 15.1 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 . 3 0.9 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 . 31 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 1 2 1 1 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 3 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 2 2 2 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 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 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 1 104 A Y 0 0 125 0, 0.0 2,-0.3 0, 0.0 128,-0.1 0.000 360.0 360.0 360.0 176.5 -8.4 51.3 11.7 2 105 A N - 0 0 84 126,-0.4 126,-3.0 128,-0.0 2,-0.3 -0.966 360.0-166.4-150.9 130.1 -9.4 50.3 8.1 3 106 A V B -A 127 0A 35 -2,-0.3 124,-0.2 124,-0.3 3,-0.2 -0.878 23.2-118.3-119.3 152.3 -8.4 47.2 6.1 4 107 A F S S- 0 0 31 122,-2.6 124,-0.1 -2,-0.3 4,-0.0 -0.437 76.3 -45.0 -77.1 161.4 -8.7 46.2 2.4 5 108 A P > - 0 0 107 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.004 61.2-142.7 -33.6 105.0 -10.8 43.0 1.8 6 109 A R T 3 S+ 0 0 102 1,-0.3 3,-0.4 -3,-0.2 -2,-0.1 0.719 90.9 72.2 -45.7 -34.8 -9.4 40.7 4.5 7 110 A T T 3 S+ 0 0 146 1,-0.2 2,-0.9 0, 0.0 -1,-0.3 0.823 92.1 58.3 -55.6 -35.1 -9.6 37.6 2.3 8 111 A L S < S+ 0 0 118 -3,-1.9 -1,-0.2 118,-0.1 2,-0.2 -0.496 75.3 128.1-100.7 65.8 -6.7 38.8 0.2 9 112 A K S S- 0 0 73 -2,-0.9 2,-0.4 -3,-0.4 117,-0.1 -0.633 74.2 -67.9-108.7 169.7 -3.8 39.2 2.6 10 113 A W - 0 0 25 115,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 -0.446 40.5-159.5 -62.9 116.8 -0.3 37.7 2.4 11 114 A S S S+ 0 0 123 -2,-0.4 2,-0.3 2,-0.0 -1,-0.2 0.656 74.3 58.1 -71.6 -17.9 -0.7 34.0 2.8 12 115 A K S S- 0 0 91 1,-0.1 -2,-0.0 2,-0.1 36,-0.0 -0.888 70.7-146.0-115.4 148.0 3.0 33.5 3.8 13 116 A M S S+ 0 0 77 -2,-0.3 36,-2.5 35,-0.1 2,-0.7 0.720 82.7 74.9 -85.5 -21.7 4.8 35.2 6.7 14 117 A N E +b 49 0B 71 34,-0.2 2,-0.3 36,-0.1 36,-0.2 -0.839 65.3 177.7 -92.6 118.1 8.1 35.6 5.1 15 118 A L E -b 50 0B 0 34,-2.9 36,-2.0 -2,-0.7 2,-0.3 -0.879 14.2-148.0-116.3 154.2 8.0 38.4 2.6 16 119 A T E -b 51 0B 22 -2,-0.3 44,-2.9 34,-0.2 43,-0.5 -0.872 10.8-171.8-118.4 154.5 10.7 39.8 0.5 17 120 A Y E -bc 52 60B 12 34,-2.2 36,-2.9 -2,-0.3 2,-0.3 -0.948 5.7-161.8-137.6 160.0 11.5 43.2 -0.9 18 121 A R E - c 0 61B 66 42,-2.0 44,-2.8 -2,-0.3 2,-1.0 -0.992 19.7-136.3-143.2 133.7 13.9 44.8 -3.3 19 122 A I E - c 0 62B 11 34,-0.4 44,-0.2 -2,-0.3 3,-0.1 -0.818 21.8-172.0 -88.9 106.7 15.0 48.3 -3.7 20 123 A V - 0 0 64 42,-3.2 2,-0.3 -2,-1.0 43,-0.2 0.875 65.4 -6.7 -69.2 -42.8 15.0 48.7 -7.5 21 124 A N S S- 0 0 61 41,-0.5 2,-0.4 -3,-0.1 -1,-0.1 -0.904 70.2-124.2-147.0 173.4 16.6 52.1 -7.6 22 125 A Y - 0 0 44 -2,-0.3 6,-0.1 41,-0.1 5,-0.0 -0.936 18.1-118.9-129.1 141.4 17.7 54.8 -5.2 23 126 A T > - 0 0 2 -2,-0.4 3,-0.8 1,-0.1 8,-0.1 -0.568 19.5-137.6 -71.4 142.0 16.9 58.5 -4.8 24 127 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.444 92.7 85.1 -75.1 -1.9 20.1 60.6 -5.1 25 128 A D T 3 S+ 0 0 64 2,-0.1 2,-0.3 80,-0.0 78,-0.0 0.735 100.2 20.3 -70.0 -26.8 18.8 62.6 -2.1 26 129 A M S < S- 0 0 17 -3,-0.8 2,-0.1 79,-0.1 79,-0.0 -0.902 91.6 -93.5-136.6 166.1 20.3 60.2 0.4 27 130 A T > - 0 0 76 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.342 38.6-108.7 -78.1 164.8 23.1 57.5 0.3 28 131 A H H > S+ 0 0 106 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.935 121.6 52.1 -59.3 -43.9 22.3 53.9 -0.4 29 132 A S H > S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.892 109.5 49.3 -56.5 -43.4 23.0 53.1 3.2 30 133 A E H > S+ 0 0 84 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.900 112.1 47.6 -66.9 -40.4 20.6 55.8 4.4 31 134 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.959 111.9 50.5 -64.7 -48.8 17.8 54.6 2.0 32 135 A E H X S+ 0 0 51 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.873 110.5 49.5 -54.7 -41.5 18.4 51.0 3.1 33 136 A K H X S+ 0 0 139 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.878 108.6 53.0 -67.5 -41.2 18.2 52.0 6.8 34 137 A A H X S+ 0 0 7 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.934 113.8 41.5 -59.9 -47.8 15.0 54.0 6.3 35 138 A F H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.908 113.5 52.7 -69.3 -41.0 13.2 51.0 4.6 36 139 A K H X S+ 0 0 150 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.927 112.3 46.0 -58.8 -45.6 14.6 48.5 7.1 37 140 A K H X S+ 0 0 79 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.914 111.0 53.5 -62.6 -41.3 13.3 50.7 9.9 38 141 A A H X S+ 0 0 0 -4,-2.2 4,-0.6 1,-0.2 3,-0.4 0.899 109.6 46.4 -64.0 -41.8 9.9 51.1 8.1 39 142 A F H >X S+ 0 0 5 -4,-2.7 4,-2.4 1,-0.2 3,-0.9 0.868 105.8 61.4 -65.4 -35.3 9.4 47.3 7.7 40 143 A K H 3X S+ 0 0 112 -4,-1.8 4,-2.2 1,-0.3 -1,-0.2 0.777 91.2 67.1 -63.5 -30.8 10.4 46.7 11.4 41 144 A V H 3< S+ 0 0 19 -4,-1.2 -1,-0.3 -3,-0.4 4,-0.2 0.883 112.6 32.9 -54.0 -40.6 7.5 48.9 12.6 42 145 A W H X< S+ 0 0 0 -3,-0.9 3,-1.1 -4,-0.6 4,-0.2 0.865 116.1 52.5 -89.4 -42.7 5.2 46.2 11.2 43 146 A S H >< S+ 0 0 33 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.802 100.1 65.9 -66.9 -26.6 7.3 43.0 11.8 44 147 A D T 3< S+ 0 0 99 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.737 110.1 36.3 -65.1 -21.1 7.7 44.0 15.5 45 148 A V T < S+ 0 0 31 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.2 0.257 120.5 36.9-119.5 14.8 4.0 43.6 16.1 46 149 A T S < S- 0 0 10 -3,-0.9 118,-0.1 -4,-0.2 114,-0.1 -0.902 86.8-100.5-148.4 175.5 3.1 40.6 13.9 47 150 A P S S+ 0 0 64 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.443 82.8 116.8 -79.4 -0.6 4.6 37.3 12.7 48 151 A L - 0 0 4 -6,-0.2 2,-0.3 -34,-0.1 -2,-0.2 -0.361 44.6-170.8 -65.9 147.9 5.6 38.9 9.4 49 152 A N E -b 14 0B 73 -36,-2.5 -34,-2.9 -2,-0.0 2,-0.4 -0.992 7.9-147.6-139.2 149.7 9.3 39.0 8.6 50 153 A F E -b 15 0B 34 -2,-0.3 2,-0.4 -36,-0.2 -34,-0.2 -0.944 9.1-171.1-123.8 133.4 11.0 40.8 5.8 51 154 A T E -b 16 0B 67 -36,-2.0 -34,-2.2 -2,-0.4 2,-0.4 -0.983 19.4-135.3-121.7 135.0 14.1 40.0 3.8 52 155 A R E -b 17 0B 73 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.699 16.1-153.7 -87.0 134.8 15.8 42.3 1.4 53 156 A L - 0 0 48 -36,-2.9 -34,-0.4 -2,-0.4 3,-0.1 -0.909 11.2-153.6-108.5 137.2 17.0 40.8 -1.9 54 157 A H S S- 0 0 150 -2,-0.4 2,-0.3 -36,-0.1 -1,-0.1 0.788 79.7 -3.1 -77.8 -29.1 19.8 42.3 -3.9 55 158 A D S S+ 0 0 118 2,-0.1 -1,-0.1 -37,-0.0 -35,-0.0 -0.910 100.3 40.4-150.8 175.2 18.5 41.0 -7.2 56 159 A G S S- 0 0 40 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.1 -0.222 93.5 -19.4 79.9-166.0 15.7 39.0 -8.7 57 160 A I + 0 0 154 4,-0.0 2,-0.3 -2,-0.0 -2,-0.1 -0.620 58.9 172.9 -86.2 137.5 12.0 38.8 -7.9 58 161 A A - 0 0 8 -2,-0.3 3,-0.2 1,-0.1 -41,-0.2 -0.887 38.5-123.3-134.5 158.3 10.7 40.0 -4.5 59 162 A D S S+ 0 0 27 -43,-0.5 2,-0.8 -2,-0.3 -42,-0.2 0.918 103.9 46.2 -68.9 -48.5 7.1 40.4 -3.2 60 163 A I E S-c 17 0B 0 -44,-2.9 -42,-2.0 35,-0.1 2,-0.6 -0.848 74.3-168.1-103.9 101.2 7.6 44.1 -2.4 61 164 A M E -c 18 0B 41 -2,-0.8 35,-1.9 32,-0.3 2,-0.4 -0.803 7.3-163.9 -92.8 119.0 9.2 46.0 -5.2 62 165 A I E +cd 19 96B 0 -44,-2.8 -42,-3.2 -2,-0.6 -41,-0.5 -0.894 16.9 157.7-107.3 135.7 10.3 49.5 -4.2 63 166 A S E - d 0 97B 28 33,-1.7 35,-2.2 -2,-0.4 2,-0.5 -0.989 35.8-124.5-154.4 157.1 11.2 52.2 -6.6 64 167 A F E - d 0 98B 13 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.921 33.0-175.2-107.2 128.0 11.6 56.0 -7.0 65 168 A G E - d 0 99B 8 33,-2.8 35,-2.5 -2,-0.5 36,-0.5 -0.874 23.1-151.5-127.3 157.7 9.7 57.7 -9.8 66 169 A I - 0 0 85 -2,-0.3 2,-0.2 2,-0.2 33,-0.1 -0.967 68.1 -52.5-127.1 112.0 9.3 61.1 -11.4 67 170 A K S S+ 0 0 100 -2,-0.5 8,-2.0 2,-0.1 2,-0.7 -0.401 130.2 27.7 59.7-126.2 5.9 61.8 -13.1 68 171 A E S S+ 0 0 146 6,-0.3 -2,-0.2 -2,-0.2 4,-0.1 -0.558 70.6 163.1 -67.5 109.5 5.2 59.0 -15.6 69 172 A H - 0 0 49 -2,-0.7 -1,-0.2 2,-0.2 3,-0.1 0.173 67.6 -71.8-117.5 17.8 7.0 56.0 -14.0 70 173 A G S S+ 0 0 54 1,-0.4 131,-0.2 -5,-0.0 2,-0.2 0.210 104.9 77.5 117.3 -19.0 5.5 53.0 -15.8 71 174 A D S S- 0 0 15 2,-0.1 -1,-0.4 129,-0.1 -2,-0.2 -0.513 90.3 -95.7-115.6-173.0 2.0 52.7 -14.3 72 175 A F S S+ 0 0 86 1,-0.2 -4,-0.0 -2,-0.2 128,-0.0 0.373 106.2 73.0 -85.3 4.8 -1.3 54.4 -14.6 73 176 A Y - 0 0 51 -6,-0.1 -1,-0.2 159,-0.0 -2,-0.1 -0.685 69.8-166.7-126.5 73.9 -0.7 56.8 -11.7 74 177 A P - 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