==== 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 1JAN . COMPND 2 MOLECULE: MATRIX METALLO PROTEINASE-8 (PHE79 FORM); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.REINEMER,F.GRAMS,R.HUBER,T.KLEINE,S.SCHNIERER,M.PIEPER,H.T . 167 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7951.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 52.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 4.8 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 . 8 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 19.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 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 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 . 2 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 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 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 79 A F 0 0 102 0, 0.0 2,-0.4 0, 0.0 128,-0.1 0.000 360.0 360.0 360.0 170.0 24.8 45.8 59.7 2 80 A M - 0 0 103 126,-0.4 126,-3.6 128,-0.0 2,-0.4 -0.967 360.0-142.7-142.8 127.0 25.2 48.8 62.2 3 81 A L B -A 127 0A 45 -2,-0.4 124,-0.2 124,-0.3 3,-0.1 -0.710 33.0-100.0 -91.8 139.6 22.6 50.6 64.1 4 82 A T > - 0 0 4 122,-1.6 3,-2.1 -2,-0.4 2,-0.1 -0.200 55.0 -97.0 -50.5 129.1 22.8 54.4 64.7 5 83 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.406 112.5 31.3 -57.1 134.7 24.0 54.7 68.2 6 84 A G T 3 S- 0 0 73 1,-0.1 -2,-0.1 -3,-0.1 0, 0.0 0.231 111.0-110.1 100.8 -11.1 21.3 55.3 70.8 7 85 A N < - 0 0 101 -3,-2.1 2,-0.4 1,-0.2 -1,-0.1 0.966 43.0-167.3 52.4 61.6 19.0 53.2 68.6 8 86 A P + 0 0 18 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.700 14.3 167.7 -82.0 139.1 16.7 55.9 67.4 9 87 A K - 0 0 69 -2,-0.4 2,-0.4 79,-0.1 117,-0.1 -0.985 41.8-103.0-145.9 152.2 13.5 54.5 65.7 10 88 A W - 0 0 16 -2,-0.3 5,-0.0 115,-0.3 115,-0.0 -0.619 21.0-151.7 -76.6 127.6 10.2 55.9 64.6 11 89 A E S S+ 0 0 161 -2,-0.4 2,-0.3 2,-0.0 -1,-0.1 0.062 80.8 65.2 -85.2 24.7 7.6 54.8 67.1 12 90 A R - 0 0 120 1,-0.1 -2,-0.1 0, 0.0 3,-0.1 -0.969 64.9-157.4-144.3 154.1 5.2 55.0 64.2 13 91 A T S S+ 0 0 66 -2,-0.3 36,-2.8 1,-0.2 2,-0.7 0.700 76.8 65.6-111.7 -23.4 4.9 53.0 61.0 14 92 A N E +b 49 0B 79 34,-0.2 2,-0.3 36,-0.1 36,-0.2 -0.931 69.7 176.3-100.9 112.9 3.0 55.1 58.4 15 93 A L E -b 50 0B 0 34,-2.3 36,-2.8 -2,-0.7 2,-0.3 -0.872 19.9-140.4-117.8 149.5 5.3 58.0 57.7 16 94 A T E -b 51 0B 33 -2,-0.3 44,-2.3 34,-0.2 43,-0.5 -0.777 13.4-163.2-108.9 154.8 4.9 60.8 55.2 17 95 A Y E -bc 52 60B 12 34,-1.8 36,-2.3 -2,-0.3 2,-0.4 -0.943 3.3-158.4-136.0 156.0 7.6 62.4 53.1 18 96 A R E - c 0 61B 41 42,-2.0 44,-3.3 -2,-0.3 2,-0.9 -0.992 13.3-145.4-139.2 127.0 7.7 65.7 51.1 19 97 A I E - c 0 62B 16 34,-0.4 44,-0.2 -2,-0.4 3,-0.1 -0.835 17.6-173.4 -91.2 104.6 10.0 66.5 48.2 20 98 A R - 0 0 105 42,-3.3 2,-0.3 -2,-0.9 43,-0.2 0.899 63.4 -8.9 -69.7 -38.6 10.7 70.3 48.8 21 99 A N - 0 0 55 41,-0.5 2,-0.2 44,-0.0 -1,-0.1 -0.901 66.8-128.2-150.2 176.9 12.6 70.9 45.4 22 100 A Y - 0 0 60 -2,-0.3 42,-0.1 41,-0.1 6,-0.1 -0.740 18.4-112.5-127.5 173.0 14.0 69.1 42.5 23 101 A T > - 0 0 5 -2,-0.2 3,-0.7 4,-0.2 8,-0.1 -0.870 17.5-143.7-107.3 138.4 17.2 68.8 40.5 24 102 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.459 91.9 78.6 -80.0 -1.7 17.1 70.1 36.9 25 103 A Q T 3 S+ 0 0 93 2,-0.1 2,-0.3 80,-0.0 78,-0.0 0.827 104.6 32.8 -68.1 -38.7 19.4 67.3 35.7 26 104 A L S < S- 0 0 21 -3,-0.7 2,-0.1 1,-0.1 79,-0.0 -0.753 94.4-100.5-115.4 163.0 16.3 65.1 35.8 27 105 A S > - 0 0 52 -2,-0.3 4,-1.7 1,-0.1 -4,-0.2 -0.325 36.5-112.3 -74.1 167.7 12.7 65.6 35.1 28 106 A E H > S+ 0 0 117 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.899 117.6 54.8 -68.6 -38.5 10.4 66.0 38.1 29 107 A A H > S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.933 108.5 46.3 -59.7 -51.6 8.7 62.6 37.3 30 108 A E H > S+ 0 0 83 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.845 113.6 49.8 -61.2 -36.5 12.0 60.8 37.2 31 109 A V H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.950 112.9 46.5 -65.5 -46.4 13.1 62.4 40.5 32 110 A E H X S+ 0 0 53 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.770 112.6 51.4 -66.1 -30.3 9.7 61.5 42.1 33 111 A R H X S+ 0 0 132 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.879 106.6 52.4 -74.4 -41.5 10.1 58.0 40.7 34 112 A A H X S+ 0 0 11 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.903 112.6 45.8 -60.5 -40.5 13.6 57.5 42.2 35 113 A I H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.891 112.4 49.7 -70.3 -40.4 12.4 58.5 45.6 36 114 A K H X S+ 0 0 85 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.931 113.2 44.7 -64.7 -50.4 9.3 56.3 45.5 37 115 A D H X S+ 0 0 61 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.830 112.0 55.0 -64.9 -31.0 11.1 53.2 44.5 38 116 A A H >X S+ 0 0 0 -4,-1.5 4,-0.7 -5,-0.3 3,-0.5 0.888 108.0 47.1 -69.6 -43.9 13.8 54.0 47.1 39 117 A F H 3X S+ 0 0 1 -4,-2.4 4,-1.3 1,-0.2 3,-0.4 0.872 107.1 61.2 -65.3 -34.0 11.2 54.2 49.9 40 118 A E H 3X S+ 0 0 75 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.703 91.9 62.8 -65.3 -28.3 9.7 50.9 48.6 41 119 A L H << S+ 0 0 12 -4,-0.8 110,-0.2 -3,-0.5 -1,-0.2 0.893 111.3 39.3 -62.2 -45.7 12.8 48.7 49.1 42 120 A W H >< S+ 0 0 0 -4,-0.7 3,-0.5 -3,-0.4 6,-0.3 0.750 112.7 58.3 -71.0 -34.7 12.7 49.3 52.8 43 121 A S H >< S+ 0 0 20 -4,-1.3 3,-1.4 1,-0.2 -2,-0.2 0.922 101.5 52.9 -63.7 -47.7 8.9 49.1 52.8 44 122 A V T 3< S+ 0 0 120 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.518 113.8 45.3 -70.9 -1.8 8.9 45.5 51.4 45 123 A A T < S+ 0 0 16 -3,-0.5 -1,-0.3 -4,-0.1 -2,-0.2 0.362 118.1 31.6-120.7 4.5 11.2 44.4 54.1 46 124 A S S < S- 0 0 19 -3,-1.4 114,-0.1 -4,-0.2 118,-0.0 -0.832 87.6 -97.8-147.9 179.6 9.6 46.0 57.2 47 125 A P S S+ 0 0 57 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 0.400 81.3 119.8 -85.9 2.8 6.2 47.1 58.5 48 126 A L - 0 0 2 -6,-0.3 2,-0.4 -5,-0.1 -2,-0.2 -0.470 44.0-166.4 -73.9 138.9 6.7 50.7 57.4 49 127 A I E -b 14 0B 96 -36,-2.8 -34,-2.3 -2,-0.2 2,-0.5 -0.982 10.0-147.7-123.2 138.9 4.4 52.4 54.9 50 128 A F E -b 15 0B 18 -2,-0.4 2,-0.5 -36,-0.2 -34,-0.2 -0.899 11.5-171.3-117.8 123.6 5.3 55.6 53.1 51 129 A T E -b 16 0B 58 -36,-2.8 -34,-1.8 -2,-0.5 2,-0.3 -0.926 14.7-139.6-119.8 130.4 2.9 58.3 52.1 52 130 A R E -b 17 0B 96 -2,-0.5 2,-0.4 -36,-0.2 -34,-0.2 -0.608 13.9-169.3 -85.1 133.2 3.7 61.3 50.0 53 131 A I - 0 0 49 -36,-2.3 -34,-0.4 -2,-0.3 3,-0.1 -0.961 19.5-145.8-121.7 137.2 2.3 64.8 50.7 54 132 A S S S- 0 0 81 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.737 80.5 -9.3 -69.8 -24.3 2.6 67.6 48.2 55 133 A Q S S+ 0 0 145 2,-0.1 -1,-0.1 -3,-0.0 2,-0.1 -0.944 94.9 64.1-160.7 175.0 2.9 70.2 51.0 56 134 A G S S- 0 0 39 -2,-0.3 2,-0.8 -3,-0.1 -3,-0.1 -0.402 95.8 -30.8 93.8-175.6 2.6 70.7 54.7 57 135 A E - 0 0 148 -2,-0.1 2,-0.2 4,-0.0 -41,-0.1 -0.732 64.2-179.0 -85.3 106.5 4.6 69.1 57.5 58 136 A A - 0 0 8 -2,-0.8 -41,-0.2 1,-0.1 3,-0.1 -0.619 34.8-122.6 -96.7 162.8 5.8 65.6 56.4 59 137 A D S S+ 0 0 25 -43,-0.5 2,-0.5 1,-0.3 -42,-0.2 0.918 102.8 34.5 -71.3 -41.6 7.9 63.4 58.7 60 138 A I E S-c 17 0B 0 -44,-2.3 -42,-2.0 34,-0.1 2,-0.4 -0.967 75.6-163.4-121.3 117.7 10.7 63.2 56.2 61 139 A N E -c 18 0B 13 -2,-0.5 35,-1.8 -44,-0.2 2,-0.4 -0.885 6.3-155.5-100.0 139.4 11.5 66.2 54.1 62 140 A I E +cd 19 96B 0 -44,-3.3 -42,-3.3 -2,-0.4 -41,-0.5 -0.928 22.3 157.1-118.4 138.2 13.6 65.7 51.0 63 141 A A E - d 0 97B 1 33,-1.5 35,-2.7 -2,-0.4 2,-0.5 -0.994 37.8-133.9-160.3 151.9 15.7 68.5 49.4 64 142 A F E + d 0 98B 10 -2,-0.3 2,-0.2 33,-0.2 35,-0.2 -0.962 38.7 171.3-108.5 117.3 18.6 69.3 47.2 65 143 A Y E - d 0 99B 72 33,-1.9 35,-3.7 -2,-0.5 36,-0.4 -0.740 26.0-124.7-123.8 173.1 20.8 72.0 48.7 66 144 A Q - 0 0 112 2,-0.3 33,-0.0 -2,-0.2 10,-0.0 -0.954 57.5 -54.1-122.1 141.4 24.2 73.7 48.1 67 145 A R S S+ 0 0 129 -2,-0.4 8,-1.9 7,-0.1 2,-0.2 0.045 124.0 23.2 34.4-119.0 27.3 74.2 50.4 68 146 A D + 0 0 134 6,-0.3 -2,-0.3 1,-0.1 8,-0.0 -0.478 68.6 161.9 -69.7 138.7 25.8 76.0 53.5 69 147 A H - 0 0 31 -2,-0.2 -1,-0.1 -4,-0.1 -2,-0.1 -0.029 63.4 -82.6-152.4 37.8 22.1 75.3 53.9 70 148 A G S S+ 0 0 85 1,-0.1 -2,-0.1 2,-0.0 0, 0.0 0.269 107.7 85.3 84.8 -9.4 21.1 76.0 57.4 71 149 A D S S- 0 0 25 2,-0.1 -1,-0.1 21,-0.0 -3,-0.0 0.270 94.1-111.6-112.1 12.2 22.0 72.8 59.2 72 150 A N S S+ 0 0 166 1,-0.1 -4,-0.1 0, 0.0 -2,-0.0 0.658 97.0 88.6 73.6 14.1 25.7 73.1 60.2 73 151 A S - 0 0 31 -6,-0.1 -1,-0.1 11,-0.0 -2,-0.1 -0.602 65.9-163.8-142.5 75.5 26.9 70.5 57.8 74 152 A P - 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