==== 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/HYDROLASE INHIBITOR 11-MAR-96 1JAO . COMPND 2 MOLECULE: MATRIX METALLO PROTEINASE-8 (MET80 FORM); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.GRAMS,P.REINEMER,J.C.POWERS,T.KLEINE,M.PIPER,H.TSCHESCHE,R . 159 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7704.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 52.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 10.1 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 . 16 10.1 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 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 . 0 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 85 A N 0 0 139 0, 0.0 2,-0.4 0, 0.0 120,-0.1 0.000 360.0 360.0 360.0 95.4 18.4 52.6 68.5 2 86 A P + 0 0 50 0, 0.0 2,-0.3 0, 0.0 81,-0.1 -0.798 360.0 160.2 -85.0 139.7 16.5 55.7 67.3 3 87 A K - 0 0 74 -2,-0.4 2,-0.4 79,-0.1 117,-0.1 -0.969 44.5 -98.4-154.1 160.7 13.4 54.4 65.5 4 88 A W - 0 0 15 -2,-0.3 5,-0.0 115,-0.3 115,-0.0 -0.708 18.9-160.2 -82.6 132.8 10.0 55.5 64.4 5 89 A E S S+ 0 0 168 -2,-0.4 2,-0.3 2,-0.0 -1,-0.1 0.489 77.6 69.9 -88.9 -9.4 7.2 54.5 66.7 6 90 A R - 0 0 116 1,-0.1 -2,-0.1 36,-0.0 3,-0.1 -0.772 65.8-158.2-106.2 155.5 4.7 55.0 63.9 7 91 A T S S+ 0 0 74 -2,-0.3 36,-3.3 1,-0.1 2,-0.6 0.601 77.8 65.0-107.8 -19.3 4.5 52.7 60.8 8 92 A N E S+a 43 0A 72 34,-0.2 2,-0.4 36,-0.1 36,-0.2 -0.956 70.0 179.7-104.3 118.9 2.8 55.0 58.2 9 93 A L E -a 44 0A 0 34,-2.8 36,-2.9 -2,-0.6 2,-0.3 -0.929 16.8-142.0-122.0 143.6 5.3 57.8 57.5 10 94 A T E -a 45 0A 35 -2,-0.4 44,-1.7 34,-0.2 43,-0.5 -0.761 14.4-167.0-102.6 157.3 4.7 60.6 55.1 11 95 A Y E -ab 46 54A 12 34,-2.5 36,-2.6 -2,-0.3 2,-0.3 -0.967 5.5-160.7-140.1 158.5 7.3 62.2 52.9 12 96 A R E - b 0 55A 38 42,-2.1 44,-2.6 -2,-0.3 2,-1.0 -0.996 16.4-142.0-141.3 130.6 7.5 65.4 50.8 13 97 A I E - b 0 56A 12 34,-0.4 44,-0.2 -2,-0.3 42,-0.1 -0.829 19.6-171.0 -93.6 100.9 9.8 66.3 47.9 14 98 A R - 0 0 100 42,-2.6 2,-0.3 -2,-1.0 43,-0.2 0.836 63.4 -7.6 -62.2 -40.5 10.4 69.9 48.6 15 99 A N - 0 0 56 41,-0.7 2,-0.2 -3,-0.1 -1,-0.1 -0.897 69.1-124.3-148.5 176.7 12.3 70.7 45.3 16 100 A Y - 0 0 60 -2,-0.3 42,-0.1 42,-0.1 6,-0.1 -0.712 17.9-114.5-125.9 168.9 13.7 68.9 42.3 17 101 A T > - 0 0 5 -2,-0.2 3,-0.9 4,-0.2 8,-0.1 -0.905 19.9-142.2-105.8 132.6 16.9 68.6 40.4 18 102 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.581 93.9 74.4 -67.5 -15.8 16.7 70.0 36.8 19 103 A Q T 3 S+ 0 0 88 2,-0.1 2,-0.3 80,-0.0 78,-0.0 0.784 102.2 37.5 -68.8 -29.4 18.9 67.1 35.5 20 104 A L S < S- 0 0 15 -3,-0.9 2,-0.1 1,-0.1 79,-0.0 -0.761 93.9-106.7-115.6 164.1 16.0 64.7 35.8 21 105 A S > - 0 0 53 -2,-0.3 4,-1.6 1,-0.1 -4,-0.2 -0.335 36.0-109.1 -80.6 170.8 12.3 65.3 35.0 22 106 A E H > S+ 0 0 113 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.903 120.4 56.2 -69.7 -38.9 10.0 65.6 38.0 23 107 A A H > S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.893 108.0 48.3 -57.8 -41.1 8.4 62.2 37.1 24 108 A E H > S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.855 113.1 47.0 -69.3 -35.4 11.9 60.6 37.2 25 109 A V H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 5,-0.2 0.937 113.9 47.5 -70.4 -45.5 12.7 62.2 40.5 26 110 A E H X S+ 0 0 54 -4,-3.3 4,-1.8 1,-0.2 -2,-0.2 0.829 113.6 48.9 -65.0 -30.9 9.4 61.2 41.9 27 111 A R H X S+ 0 0 126 -4,-1.9 4,-2.3 -5,-0.3 5,-0.2 0.905 109.1 52.1 -74.5 -40.3 9.8 57.6 40.6 28 112 A A H X S+ 0 0 9 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.922 114.4 43.0 -60.6 -46.7 13.4 57.3 42.0 29 113 A I H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.895 112.3 52.2 -68.0 -43.3 12.2 58.3 45.4 30 114 A K H >X S+ 0 0 84 -4,-1.8 4,-1.5 1,-0.2 3,-0.6 0.967 111.9 45.4 -58.0 -57.5 9.0 56.2 45.3 31 115 A D H 3X S+ 0 0 63 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.759 108.7 57.6 -57.3 -31.5 10.9 53.0 44.4 32 116 A A H 3X S+ 0 0 0 -4,-1.3 4,-0.6 -5,-0.2 3,-0.4 0.845 106.6 48.1 -70.5 -36.4 13.6 53.7 47.0 33 117 A F H XX S+ 0 0 0 -4,-1.6 4,-1.5 -3,-0.6 3,-0.5 0.843 105.6 60.0 -72.8 -29.2 10.9 53.7 49.7 34 118 A E H 3X S+ 0 0 75 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.653 93.3 63.8 -73.9 -19.6 9.5 50.5 48.4 35 119 A L H 3< S+ 0 0 15 -4,-0.6 -1,-0.2 -3,-0.4 4,-0.2 0.835 110.1 40.4 -70.5 -33.8 12.7 48.5 49.0 36 120 A W H X< S+ 0 0 0 -4,-0.6 3,-0.6 -3,-0.5 6,-0.3 0.787 110.5 57.7 -79.6 -35.0 12.3 49.2 52.7 37 121 A S H >< S+ 0 0 28 -4,-1.5 3,-1.5 1,-0.2 -2,-0.2 0.931 102.4 53.9 -61.0 -47.4 8.6 48.6 52.8 38 122 A V T 3< S+ 0 0 123 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.616 114.7 40.9 -66.4 -13.2 8.8 45.1 51.4 39 123 A A T < S+ 0 0 14 -3,-0.6 -1,-0.3 -4,-0.2 -2,-0.2 0.277 122.3 29.5-116.9 9.7 11.3 44.1 54.1 40 124 A S S < S- 0 0 18 -3,-1.5 114,-0.1 -4,-0.2 110,-0.0 -0.920 86.7 -96.7-155.4 176.8 9.7 45.9 57.1 41 125 A P S S+ 0 0 54 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 0.468 78.6 119.5 -83.8 4.0 6.3 47.1 58.5 42 126 A L - 0 0 3 -6,-0.3 2,-0.4 -34,-0.1 -34,-0.2 -0.462 43.4-165.0 -78.6 138.4 6.7 50.7 57.2 43 127 A I E -a 8 0A 98 -36,-3.3 -34,-2.8 -2,-0.2 2,-0.5 -0.954 11.2-149.1-119.2 133.5 4.2 52.3 54.7 44 128 A F E -a 9 0A 20 -2,-0.4 2,-0.5 -36,-0.2 -34,-0.2 -0.922 10.1-168.8-112.9 127.3 5.3 55.5 53.0 45 129 A T E -a 10 0A 53 -36,-2.9 -34,-2.5 -2,-0.5 2,-0.4 -0.883 14.1-140.6-115.1 126.9 2.8 58.1 51.9 46 130 A R E -a 11 0A 98 -2,-0.5 2,-0.4 -36,-0.2 -34,-0.2 -0.718 15.2-168.1 -85.9 131.1 3.6 61.1 49.7 47 131 A I - 0 0 41 -36,-2.6 -34,-0.4 -2,-0.4 3,-0.1 -0.946 19.8-144.6-114.1 140.0 2.1 64.5 50.5 48 132 A S S S- 0 0 82 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.669 80.6 -13.4 -75.6 -11.3 2.3 67.3 47.9 49 133 A Q S S+ 0 0 147 2,-0.1 -1,-0.2 -37,-0.0 2,-0.2 -0.971 92.9 72.7-173.8 171.9 2.7 69.8 50.7 50 134 A G S S- 0 0 38 -2,-0.3 2,-0.5 -3,-0.1 -3,-0.1 -0.515 93.7 -37.5 98.2-178.5 2.4 70.4 54.4 51 135 A E - 0 0 146 -2,-0.2 2,-0.3 4,-0.0 -2,-0.1 -0.754 62.3-170.1 -86.8 124.9 4.7 69.0 57.0 52 136 A A - 0 0 10 -2,-0.5 3,-0.2 1,-0.1 -41,-0.2 -0.783 32.0-123.9-106.9 156.7 6.0 65.5 56.2 53 137 A D S S+ 0 0 23 -43,-0.5 2,-0.5 -2,-0.3 -42,-0.2 0.901 105.5 38.2 -63.7 -39.5 7.9 63.2 58.6 54 138 A I E S-b 11 0A 0 -44,-1.7 -42,-2.1 34,-0.1 2,-0.4 -0.947 76.0-162.5-121.1 111.9 10.6 63.0 55.9 55 139 A N E -b 12 0A 10 -2,-0.5 35,-2.1 -44,-0.2 2,-0.4 -0.772 4.9-160.4 -96.2 136.4 11.6 66.1 53.9 56 140 A I E +bc 13 90A 0 -44,-2.6 -42,-2.6 -2,-0.4 -41,-0.7 -0.976 20.9 156.4-119.3 128.1 13.5 65.6 50.7 57 141 A A E - c 0 91A 1 33,-1.4 35,-2.5 -2,-0.4 2,-0.7 -0.980 41.3-128.7-151.6 156.7 15.4 68.4 49.1 58 142 A F E + c 0 92A 12 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.932 41.5 172.4-106.2 105.0 18.3 69.2 46.8 59 143 A Y E - c 0 93A 68 33,-2.0 35,-3.2 -2,-0.7 36,-0.4 -0.781 23.1-137.2-115.4 163.9 20.5 71.7 48.5 60 144 A Q - 0 0 112 -2,-0.3 33,-0.1 2,-0.3 -2,-0.0 -0.930 55.5 -50.1-121.1 143.6 23.9 73.3 47.9 61 145 A R S S+ 0 0 127 -2,-0.3 8,-2.2 7,-0.1 2,-0.5 -0.013 125.0 24.1 34.0-112.2 26.9 74.0 50.2 62 146 A D + 0 0 134 6,-0.2 -2,-0.3 1,-0.1 8,-0.0 -0.663 67.8 158.3 -78.8 127.9 25.4 75.8 53.2 63 147 A H - 0 0 29 -2,-0.5 -1,-0.1 -4,-0.1 -2,-0.1 -0.075 65.9 -84.0-145.3 35.9 21.8 74.9 53.6 64 148 A G S S+ 0 0 83 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 0.422 103.9 88.1 81.7 6.4 21.0 75.6 57.1 65 149 A D S S- 0 0 20 21,-0.0 -1,-0.1 2,-0.0 -3,-0.1 0.466 90.4-111.8-123.0 10.6 22.0 72.5 58.9 66 150 A N S S+ 0 0 169 1,-0.1 -4,-0.1 0, 0.0 0, 0.0 0.710 98.7 91.2 71.2 17.2 25.7 72.5 60.0 67 151 A S - 0 0 49 -6,-0.1 -1,-0.1 11,-0.0 -6,-0.0 -0.450 65.7-167.3-142.3 62.9 26.5 69.8 57.5 68 152 A P - 0 0 68 0, 0.0 -6,-0.2 0, 0.0 -7,-0.1 -0.179 17.6-126.3 -56.0 138.1 27.4 71.7 54.4 69 153 A F - 0 0 8 -8,-2.2 7,-0.1 23,-0.1 -9,-0.1 -0.284 16.5-134.1 -75.0-178.3 27.7 69.9 51.2 70 154 A D - 0 0 66 5,-0.4 -1,-0.1 1,-0.4 -10,-0.0 -0.051 34.0 -99.8-137.2 35.2 30.9 70.1 49.2 71 155 A G S S- 0 0 1 3,-0.1 -1,-0.4 5,-0.0 25,-0.1 -0.138 82.1 -3.3 74.1-178.5 30.5 70.7 45.5 72 156 A P S S- 0 0 76 0, 0.0 24,-0.1 0, 0.0 3,-0.1 0.010 117.3 -11.3 -49.3 149.0 30.7 67.8 42.9 73 157 A N S S+ 0 0 84 1,-0.2 -3,-0.2 20,-0.1 22,-0.1 -0.009 97.7 82.3 51.5-158.5 31.6 64.2 44.0 74 158 A G S S+ 0 0 36 -5,-0.1 -1,-0.2 2,-0.0 2,-0.1 -0.449 104.1 14.9 65.1-144.7 32.8 63.7 47.6 75 159 A I - 0 0 56 85,-0.2 -5,-0.4 1,-0.1 3,-0.1 -0.432 68.1-172.4 -64.4 131.9 29.8 63.5 49.8 76 160 A L - 0 0 0 1,-0.3 17,-2.6 -2,-0.1 2,-0.3 0.661 58.8 -31.3 -93.8 -28.4 26.7 63.0 47.7 77 161 A A E -D 92 0A 0 15,-0.3 -1,-0.3 -19,-0.0 2,-0.3 -0.942 52.9-145.8-177.5 172.0 23.9 63.4 50.3 78 162 A H E -D 91 0A 25 13,-2.5 13,-3.1 -2,-0.3 2,-0.3 -0.981 4.9-158.2-153.1 160.5 23.0 62.9 53.9 79 163 A A E -D 90 0A 20 -2,-0.3 2,-0.3 11,-0.3 11,-0.2 -0.950 17.4-123.6-138.8 158.9 20.0 61.9 56.1 80 164 A F - 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0 0 81 -2,-0.1 2,-0.5 7,-0.1 -2,-0.1 -0.861 37.1-160.3 -93.1 107.2 25.1 64.9 38.3 98 182 A W + 0 0 5 -2,-0.8 2,-0.2 -4,-0.1 8,-0.2 -0.821 18.2 166.7 -94.9 133.4 22.0 62.9 39.1 99 183 A T B -e 106 0B 17 6,-3.1 8,-2.5 -2,-0.5 9,-0.3 -0.744 41.8-143.3-132.2 177.8 21.1 60.2 36.6 100 184 A N S S+ 0 0 82 -2,-0.2 2,-0.2 6,-0.2 6,-0.1 -0.245 84.8 71.3-133.8 35.8 18.8 57.3 36.4 101 185 A T S S- 0 0 72 2,-0.4 -2,-0.1 4,-0.2 4,-0.1 -0.509 106.9 -81.9-129.2-160.6 21.3 55.3 34.4 102 186 A S S S+ 0 0 79 -2,-0.2 4,-0.1 2,-0.1 35,-0.1 0.585 96.4 106.9 -86.7 -10.7 24.7 53.7 35.2 103 187 A A S S- 0 0 50 2,-0.1 -2,-0.4 1,-0.1 2,-0.2 -0.370 88.2 -59.0 -67.7 144.2 26.4 57.0 34.9 104 188 A N S S+ 0 0 83 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.463 115.8 22.0 -67.4 128.9 27.5 58.6 38.2 105 189 A Y - 0 0 5 -2,-0.2 -6,-3.1 -6,-0.1 2,-0.6 0.690 62.6-165.0-114.6 160.8 25.3 59.2 40.2 106 190 A N B > -e 99 0B 2 -8,-0.2 4,-1.5 1,-0.2 -6,-0.2 -0.838 13.4-151.9-102.7 120.2 22.1 57.2 40.1 107 191 A L H > S+ 0 0 2 -8,-2.5 4,-3.2 -2,-0.6 5,-0.3 0.875 89.9 58.2 -59.7 -43.8 19.5 58.9 42.3 108 192 A F H > S+ 0 0 21 -9,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.909 108.9 46.6 -55.6 -44.8 17.4 55.8 43.2 109 193 A L H > S+ 0 0 3 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.878 115.1 44.0 -69.0 -37.7 20.5 54.2 44.7 110 194 A V H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.890 115.4 49.5 -73.7 -36.0 21.6 57.2 46.7 111 195 A A H X S+ 0 0 0 -4,-3.2 4,-2.9 2,-0.2 5,-0.2 0.946 109.3 52.3 -65.4 -43.8 18.0 57.8 47.8 112 196 A A H X S+ 0 0 0 -4,-2.9 4,-0.9 -5,-0.3 -1,-0.2 0.901 111.9 46.5 -60.7 -38.2 17.7 54.1 48.8 113 197 A H H >X S+ 0 0 0 -4,-1.7 4,-1.2 2,-0.2 3,-0.5 0.928 113.0 48.4 -67.3 -47.7 20.9 54.5 50.9 114 198 A E H >X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 3,-0.8 0.934 106.0 56.5 -59.7 -47.7 19.7 57.8 52.6 115 199 A F H 3X S+ 0 0 0 -4,-2.9 4,-1.1 1,-0.3 -1,-0.2 0.747 99.6 61.7 -57.4 -26.6 16.3 56.4 53.5 116 200 A G H <<>S+ 0 0 0 -4,-0.9 5,-2.4 -3,-0.5 3,-0.4 0.924 105.1 46.3 -65.8 -42.5 18.0 53.6 55.4 117 201 A H H X<5S+ 0 0 28 -4,-1.2 3,-1.6 -3,-0.8 -2,-0.2 0.879 108.3 56.5 -62.6 -42.6 19.6 56.3 57.6 118 202 A S H 3<5S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.712 107.0 50.9 -58.0 -31.5 16.1 58.0 58.0 119 203 A L T 3<5S- 0 0 0 -4,-1.1 -1,-0.3 -3,-0.4 -115,-0.3 0.379 130.9 -92.7 -88.9 1.7 14.8 54.6 59.2 120 204 A G T < 5S+ 0 0 17 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.519 79.4 134.1 103.5 -0.2 17.6 54.3 61.9 121 205 A L < - 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