==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 26-OCT-09 3KEJ . COMPND 2 MOLECULE: COLLAGENASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.-S.SHIEH,B.COLLINS,M.E.SCHNUTE . 320 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17371.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 50.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 10.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 20 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 20.6 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 2 0 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 1 104 A Y 0 0 148 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.4 30.8 54.8 -8.3 2 105 A N - 0 0 165 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.925 360.0-155.6-135.8 161.0 32.0 52.3 -5.8 3 106 A V - 0 0 136 -2,-0.3 0, 0.0 0, 0.0 0, 0.0 -0.965 26.3-107.1-136.4 149.1 32.6 52.0 -2.0 4 107 A F - 0 0 196 -2,-0.3 2,-0.4 1,-0.1 0, 0.0 -0.376 39.0-113.1 -69.6 151.7 34.9 49.9 0.2 5 108 A P - 0 0 103 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.762 16.5-138.1 -88.4 134.6 33.3 47.2 2.3 6 109 A R S S+ 0 0 95 -2,-0.4 0, 0.0 2,-0.1 0, 0.0 -0.821 84.2 48.2 -85.0 134.1 33.2 47.4 6.1 7 110 A T S S- 0 0 96 -2,-0.5 2,-0.6 1,-0.0 119,-0.0 0.609 90.4-120.8 89.8 105.5 34.0 43.9 7.4 8 111 A L + 0 0 89 118,-0.1 2,-0.3 81,-0.0 81,-0.1 -0.682 55.8 129.7 -80.7 118.5 37.0 42.4 5.8 9 112 A K - 0 0 97 -2,-0.6 2,-0.3 78,-0.1 117,-0.1 -0.958 60.4 -91.1-155.7 163.7 36.2 39.1 4.1 10 113 A W - 0 0 18 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.605 23.0-161.7 -78.5 138.4 36.8 37.6 0.6 11 114 A S S S+ 0 0 118 -2,-0.3 2,-0.4 2,-0.0 -1,-0.1 0.609 74.6 69.9 -93.3 -15.9 34.0 38.1 -1.9 12 115 A K - 0 0 93 1,-0.1 -2,-0.1 2,-0.0 3,-0.0 -0.846 68.8-152.1-104.9 142.6 35.2 35.2 -4.1 13 116 A M S S+ 0 0 60 -2,-0.4 36,-2.8 1,-0.1 2,-0.8 0.668 79.8 70.0 -89.2 -19.3 34.8 31.6 -3.0 14 117 A N E +a 49 0A 109 34,-0.2 2,-0.3 36,-0.1 36,-0.2 -0.857 68.3 179.7-105.8 102.0 37.7 30.1 -4.9 15 118 A L E -a 50 0A 0 34,-2.8 36,-2.4 -2,-0.8 2,-0.3 -0.695 14.9-144.3-105.5 153.0 41.0 31.3 -3.4 16 119 A T E -a 51 0A 33 -2,-0.3 44,-2.2 34,-0.2 2,-0.3 -0.843 13.2-173.3-115.9 150.5 44.6 30.5 -4.4 17 120 A Y E -ab 52 60A 12 34,-2.4 36,-3.6 -2,-0.3 2,-0.3 -0.955 6.3-162.8-138.5 163.9 47.7 30.1 -2.3 18 121 A R E - b 0 61A 63 42,-1.8 44,-3.2 -2,-0.3 2,-0.9 -0.988 18.9-138.7-147.3 129.1 51.4 29.6 -3.0 19 122 A I E - b 0 62A 14 34,-0.4 44,-0.2 -2,-0.3 3,-0.1 -0.834 20.1-172.0 -89.6 107.7 54.2 28.3 -0.7 20 123 A V - 0 0 62 42,-3.3 2,-0.3 -2,-0.9 43,-0.2 0.802 64.5 -10.6 -74.7 -30.9 57.0 30.8 -1.6 21 124 A N - 0 0 64 41,-0.6 2,-0.4 -3,-0.1 -1,-0.2 -0.946 69.1-117.1-161.6 176.0 59.6 28.9 0.4 22 125 A Y - 0 0 53 -2,-0.3 6,-0.1 -3,-0.1 78,-0.0 -0.937 16.0-120.1-131.6 140.4 60.1 26.1 2.9 23 126 A T > - 0 0 4 -2,-0.4 3,-0.6 1,-0.1 8,-0.1 -0.436 23.5-132.0 -66.2 147.6 61.3 25.5 6.5 24 127 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.664 96.2 76.9 -69.7 -18.8 64.3 23.0 6.8 25 128 A D T 3 S+ 0 0 73 77,-0.2 2,-0.3 75,-0.1 78,-0.0 0.662 98.6 35.6 -73.3 -19.2 62.5 21.2 9.7 26 129 A M S < S- 0 0 15 -3,-0.6 79,-0.1 79,-0.1 78,-0.0 -0.916 87.6 -97.7-133.4 158.8 60.1 19.3 7.4 27 130 A T > - 0 0 73 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.325 37.3-115.4 -62.2 151.1 60.0 17.7 4.0 28 131 A H H > S+ 0 0 114 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.926 121.4 51.0 -48.5 -48.4 58.5 19.7 1.1 29 132 A S H > S+ 0 0 47 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.896 107.6 49.9 -58.7 -47.7 55.8 17.1 1.1 30 133 A E H > S+ 0 0 88 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.879 112.4 48.4 -62.5 -39.6 55.1 17.3 4.9 31 134 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.898 111.9 49.0 -65.5 -42.6 54.8 21.1 4.6 32 135 A E H X S+ 0 0 50 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.937 112.6 48.0 -61.4 -48.2 52.4 20.8 1.6 33 136 A K H X S+ 0 0 131 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.882 110.5 52.7 -58.2 -42.9 50.3 18.3 3.5 34 137 A A H X S+ 0 0 9 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.915 112.0 43.2 -61.8 -46.1 50.2 20.5 6.6 35 138 A F H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.849 113.3 52.9 -70.9 -32.2 49.0 23.6 4.7 36 139 A K H X S+ 0 0 144 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.886 109.8 48.1 -68.6 -41.8 46.5 21.5 2.8 37 140 A K H X S+ 0 0 112 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.895 110.4 53.2 -59.0 -44.5 45.1 20.1 6.0 38 141 A A H X S+ 0 0 0 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.826 110.0 46.2 -62.9 -39.7 44.9 23.6 7.5 39 142 A F H X S+ 0 0 5 -4,-1.8 4,-2.4 2,-0.2 3,-0.5 0.859 107.2 58.9 -68.9 -38.0 42.9 24.9 4.5 40 143 A K H X S+ 0 0 114 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.821 95.3 63.5 -62.8 -32.7 40.6 21.8 4.7 41 144 A V H < S+ 0 0 18 -4,-1.5 4,-0.4 1,-0.2 -1,-0.2 0.935 112.8 36.0 -50.3 -46.8 39.7 22.8 8.3 42 145 A W H >< S+ 0 0 0 -4,-0.8 3,-0.8 -3,-0.5 4,-0.4 0.840 113.4 53.9 -82.9 -35.6 38.1 26.0 6.8 43 146 A S H 3< S+ 0 0 33 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.776 103.5 60.2 -68.9 -25.1 36.7 24.6 3.5 44 147 A D T 3< S+ 0 0 102 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.682 113.0 35.8 -72.1 -21.2 34.8 22.0 5.5 45 148 A V S < S+ 0 0 40 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.297 123.4 36.2-115.0 7.3 32.9 24.6 7.5 46 149 A T S S- 0 0 19 -4,-0.4 114,-0.1 -3,-0.4 113,-0.0 -0.916 84.5-105.9-146.8 168.9 32.4 27.2 4.6 47 150 A P S S+ 0 0 75 0, 0.0 -4,-0.1 0, 0.0 2,-0.1 0.444 80.7 118.9 -79.1 2.0 31.8 27.4 0.8 48 151 A L - 0 0 1 -6,-0.3 2,-0.3 -34,-0.1 -2,-0.2 -0.370 45.5-165.2 -68.1 143.1 35.4 28.5 0.3 49 152 A N E -a 14 0A 86 -36,-2.8 -34,-2.8 -2,-0.1 2,-0.4 -0.967 6.3-149.2-125.2 150.0 37.8 26.3 -1.8 50 153 A F E -a 15 0A 32 -2,-0.3 2,-0.4 -36,-0.2 -34,-0.2 -0.980 11.0-173.4-126.4 124.5 41.6 26.6 -1.9 51 154 A T E -a 16 0A 80 -36,-2.4 -34,-2.4 -2,-0.4 2,-0.4 -0.923 21.2-127.1-118.8 142.6 43.8 25.8 -4.8 52 155 A R E -a 17 0A 72 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.740 16.5-158.5 -97.3 131.5 47.6 25.8 -4.8 53 156 A L - 0 0 58 -36,-3.6 -34,-0.4 -2,-0.4 5,-0.1 -0.873 11.0-160.3-106.6 141.6 49.8 27.7 -7.3 54 157 A H S S+ 0 0 149 -2,-0.4 2,-0.2 -36,-0.1 -1,-0.1 0.719 79.1 8.4 -90.9 -26.2 53.4 26.8 -8.1 55 158 A D S S+ 0 0 70 2,-0.1 -1,-0.0 -37,-0.0 -35,-0.0 -0.829 98.9 39.8-136.9 178.5 54.3 30.3 -9.5 56 159 A G S S- 0 0 42 -2,-0.2 2,-0.6 -3,-0.1 -3,-0.1 -0.074 93.7 -36.1 82.0-173.8 52.8 33.7 -9.8 57 160 A I - 0 0 145 4,-0.0 2,-0.2 -40,-0.0 -2,-0.1 -0.807 58.8-172.0 -93.0 120.5 50.8 35.9 -7.5 58 161 A A - 0 0 7 -2,-0.6 3,-0.2 -40,-0.1 -41,-0.2 -0.692 35.6-116.3-103.7 161.3 48.3 34.0 -5.3 59 162 A D S S+ 0 0 33 1,-0.3 2,-0.6 -2,-0.2 -42,-0.2 0.880 111.8 37.2 -61.4 -41.2 45.6 35.4 -3.0 60 163 A I E S-b 17 0A 0 -44,-2.2 -42,-1.8 34,-0.1 2,-0.6 -0.927 76.7-166.6-117.5 102.2 47.4 33.9 -0.0 61 164 A M E -b 18 0A 30 -2,-0.6 35,-1.7 -3,-0.2 2,-0.5 -0.818 9.9-159.4 -89.2 119.5 51.2 34.0 -0.3 62 165 A I E +bc 19 96A 0 -44,-3.2 -42,-3.3 -2,-0.6 -41,-0.6 -0.854 20.1 157.9-103.4 128.6 52.8 31.7 2.3 63 166 A S E - c 0 97A 25 33,-2.2 35,-2.7 -2,-0.5 2,-0.4 -0.981 34.1-130.7-147.1 163.7 56.4 32.2 3.5 64 167 A F E + c 0 98A 12 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.913 36.2 151.2-108.9 139.0 59.0 31.5 6.2 65 168 A G E - c 0 99A 16 33,-2.4 35,-2.9 -2,-0.4 36,-0.4 -0.953 30.8-132.7-156.0 169.2 61.2 34.2 7.6 66 169 A I - 0 0 81 -2,-0.3 33,-0.0 2,-0.2 10,-0.0 -0.938 64.9 -27.0-127.6 155.3 63.1 35.2 10.7 67 170 A K S S+ 0 0 87 -2,-0.3 8,-2.4 7,-0.1 2,-0.5 -0.124 128.7 12.8 47.2-131.3 63.4 38.5 12.5 68 171 A E S S+ 0 0 137 6,-0.2 -2,-0.2 1,-0.1 4,-0.1 -0.661 70.8 160.7 -72.2 122.9 62.8 41.4 10.1 69 172 A H - 0 0 49 -2,-0.5 -1,-0.1 2,-0.2 3,-0.1 0.181 68.3 -63.3-135.8 17.2 61.4 39.8 6.9 70 173 A G S S+ 0 0 71 1,-0.4 2,-0.3 0, 0.0 -2,-0.1 0.705 105.1 56.1 113.3 28.0 59.7 42.7 5.0 71 174 A D S S- 0 0 30 0, 0.0 -1,-0.4 0, 0.0 -2,-0.2 -0.892 92.5 -82.5-160.5-170.0 56.8 44.2 7.0 72 175 A F S S+ 0 0 195 -2,-0.3 -4,-0.0 1,-0.2 0, 0.0 0.302 106.1 78.7 -91.9 11.2 55.9 45.8 10.5 73 176 A Y - 0 0 128 -6,-0.0 -1,-0.2 11,-0.0 -6,-0.0 -0.532 66.5-175.0-115.6 63.5 55.6 42.4 12.3 74 177 A P - 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