==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 26-JAN-10 3LJZ . COMPND 2 MOLECULE: COLLAGENASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.-S.SHIEH,J.R.KIEFER . 653 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32925.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 336 51.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 3.1 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 . 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 . 38 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 4 1 3 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 4 5 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 PARALLEL BRIDGES PER LADDER . 2 0 4 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 . 4 0 0 4 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 A 0 0 147 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.9 46.1 65.2 30.5 2 105 A N - 0 0 166 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.995 360.0-155.3-139.2 143.6 48.9 67.7 31.7 3 106 A V - 0 0 135 -2,-0.3 0, 0.0 0, 0.0 0, 0.0 -0.881 30.0-108.8-113.5 145.8 52.7 67.6 31.8 4 107 A F - 0 0 190 -2,-0.3 2,-0.1 1,-0.1 -2,-0.0 -0.507 42.6-108.9 -68.0 141.5 54.9 69.7 34.1 5 108 A P - 0 0 101 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 -0.401 19.8-132.2 -72.6 154.3 56.8 72.5 32.2 6 109 A R S S+ 0 0 231 -2,-0.1 2,-0.2 2,-0.1 -2,-0.0 1.000 86.1 53.6 -69.0 -69.5 60.5 72.1 31.8 7 110 A T S S- 0 0 50 1,-0.1 2,-0.8 153,-0.0 119,-0.0 -0.448 92.2-114.4 -70.9 135.7 62.0 75.5 32.8 8 111 A L + 0 0 98 118,-0.2 2,-0.3 -2,-0.2 -1,-0.1 -0.628 63.7 129.0 -73.1 108.7 61.0 76.7 36.3 9 112 A K - 0 0 86 -2,-0.8 2,-0.3 78,-0.1 117,-0.1 -0.980 64.0 -92.5-154.5 159.2 58.9 79.8 35.6 10 113 A W - 0 0 24 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.622 25.7-152.2 -74.1 131.9 55.6 81.4 36.6 11 114 A S S S+ 0 0 122 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.563 79.3 60.2 -82.3 -8.5 52.9 80.4 34.0 12 115 A K - 0 0 76 1,-0.1 -2,-0.1 2,-0.0 3,-0.0 -0.892 69.4-148.6-119.9 151.7 51.0 83.6 34.8 13 116 A M S S+ 0 0 58 -2,-0.3 36,-2.8 1,-0.1 2,-0.9 0.701 81.9 74.4 -91.8 -22.5 52.1 87.3 34.4 14 117 A N E +a 49 0A 61 34,-0.2 2,-0.3 36,-0.1 36,-0.2 -0.797 67.7 177.5 -99.4 100.4 50.1 88.8 37.2 15 118 A L E -a 50 0A 0 34,-3.0 36,-2.4 -2,-0.9 2,-0.3 -0.699 17.4-143.6-106.8 153.0 51.8 87.7 40.5 16 119 A T E -a 51 0A 3 -2,-0.3 44,-2.4 34,-0.2 2,-0.3 -0.835 12.6-171.5-114.1 151.3 51.1 88.6 44.1 17 120 A Y E -ab 52 60A 14 34,-2.4 36,-3.2 -2,-0.3 2,-0.4 -0.960 6.4-159.1-136.2 158.0 53.3 89.2 47.1 18 121 A R E - b 0 61A 6 42,-1.9 44,-3.0 -2,-0.3 2,-1.0 -0.993 16.5-142.7-137.3 129.5 52.9 89.6 50.8 19 122 A I E - b 0 62A 6 34,-0.5 44,-0.2 -2,-0.4 3,-0.1 -0.828 23.5-174.7 -86.1 101.9 55.2 91.2 53.4 20 123 A V - 0 0 3 42,-3.1 2,-0.3 -2,-1.0 43,-0.2 0.916 61.3 -7.0 -72.3 -45.1 54.5 88.8 56.2 21 124 A N S S- 0 0 3 41,-0.6 2,-0.4 498,-0.2 498,-0.2 -0.879 70.6-120.2-143.8 178.8 56.5 90.6 58.9 22 125 A Y B -E 518 0B 0 496,-2.5 496,-2.4 -2,-0.3 538,-0.1 -0.952 15.7-120.0-132.5 139.0 59.0 93.5 59.2 23 126 A T > - 0 0 0 -2,-0.4 3,-0.6 494,-0.2 494,-0.2 -0.451 21.7-132.6 -66.5 147.6 62.6 94.1 60.3 24 127 A P T 3 S+ 0 0 36 0, 0.0 -1,-0.1 0, 0.0 493,-0.1 0.644 94.6 76.2 -70.0 -15.9 63.1 96.6 63.2 25 128 A D T 3 S+ 0 0 52 77,-0.1 2,-0.3 2,-0.1 78,-0.0 0.656 99.9 31.6 -79.5 -18.2 65.9 98.5 61.3 26 129 A M S < S- 0 0 5 -3,-0.6 79,-0.0 79,-0.1 2,-0.0 -0.927 89.1 -98.9-135.1 156.0 63.7 100.4 58.9 27 130 A T > - 0 0 68 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.347 38.6-108.1 -69.8 157.7 60.1 101.9 59.1 28 131 A H H > S+ 0 0 36 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.919 122.2 53.0 -48.5 -49.3 57.2 99.9 57.5 29 132 A S H > S+ 0 0 61 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.926 108.4 48.4 -56.2 -47.2 57.1 102.5 54.8 30 133 A E H > S+ 0 0 78 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.870 112.2 49.1 -63.7 -39.4 60.8 102.1 54.0 31 134 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.930 112.2 48.4 -65.1 -44.9 60.5 98.3 53.9 32 135 A E H X S+ 0 0 51 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.913 112.5 49.1 -60.1 -44.0 57.5 98.6 51.6 33 136 A K H X S+ 0 0 146 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.900 109.8 51.7 -60.6 -47.3 59.3 101.1 49.3 34 137 A A H X S+ 0 0 9 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.947 113.4 42.5 -59.2 -49.4 62.4 98.8 49.1 35 138 A F H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.894 114.2 51.8 -66.8 -37.2 60.5 95.7 48.1 36 139 A K H X S+ 0 0 147 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.927 110.5 47.7 -64.9 -44.7 58.3 97.7 45.6 37 140 A K H X S+ 0 0 117 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.874 110.1 54.7 -61.8 -36.2 61.3 99.2 43.9 38 141 A A H X S+ 0 0 0 -4,-1.9 4,-0.7 -5,-0.2 -2,-0.2 0.825 107.9 47.1 -68.8 -36.6 62.9 95.7 43.8 39 142 A F H >X S+ 0 0 4 -4,-1.8 4,-2.6 1,-0.2 3,-0.9 0.892 106.3 60.3 -68.3 -39.1 59.9 94.2 41.9 40 143 A K H 3X S+ 0 0 107 -4,-2.1 4,-2.1 1,-0.3 -2,-0.2 0.807 92.6 66.1 -60.0 -31.4 59.9 97.2 39.6 41 144 A V H 3< S+ 0 0 18 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.912 113.0 32.9 -52.4 -44.8 63.5 96.2 38.5 42 145 A W H X< S+ 0 0 0 -3,-0.9 3,-1.2 -4,-0.7 4,-0.5 0.858 115.6 55.0 -84.9 -38.0 62.0 93.0 37.0 43 146 A S H 3< S+ 0 0 34 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.767 101.1 61.6 -67.7 -23.5 58.6 94.4 35.9 44 147 A D T 3< S+ 0 0 104 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.590 112.9 35.9 -75.8 -12.8 60.3 97.2 33.9 45 148 A V S < S+ 0 0 36 -3,-1.2 -1,-0.2 -4,-0.1 -2,-0.2 0.313 121.5 38.9-122.8 7.9 62.0 94.5 31.7 46 149 A T S S- 0 0 18 -4,-0.5 116,-0.1 -3,-0.4 112,-0.1 -0.860 86.1-105.0-141.1 172.7 59.3 91.9 31.4 47 150 A P S S+ 0 0 67 0, 0.0 -4,-0.1 0, 0.0 2,-0.1 0.377 79.0 126.5 -78.3 4.5 55.5 91.7 31.0 48 151 A L - 0 0 1 -6,-0.3 2,-0.4 -34,-0.1 -2,-0.2 -0.373 41.6-166.0 -68.3 139.8 55.3 90.7 34.8 49 152 A N E -a 14 0A 86 -36,-2.8 -34,-3.0 -2,-0.1 2,-0.5 -0.972 4.9-153.7-124.2 144.1 53.1 92.6 37.2 50 153 A F E -a 15 0A 35 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.971 8.3-171.8-124.2 125.8 53.3 92.4 41.0 51 154 A T E -a 16 0A 52 -36,-2.4 -34,-2.4 -2,-0.5 2,-0.4 -0.962 19.8-131.0-118.5 135.5 50.4 93.1 43.4 52 155 A R E -a 17 0A 60 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.696 16.6-162.5 -88.9 130.7 50.7 93.4 47.1 53 156 A L - 0 0 1 -36,-3.2 -34,-0.5 -2,-0.4 252,-0.1 -0.881 14.1-150.0-106.3 145.3 48.3 91.4 49.4 54 157 A H S S- 0 0 108 -2,-0.4 2,-0.3 250,-0.4 -1,-0.1 0.652 78.7 -7.7 -90.8 -19.0 48.0 92.4 53.1 55 158 A D S S+ 0 0 51 249,-0.2 -1,-0.2 2,-0.1 2,-0.1 -0.938 96.9 56.4-157.6-175.6 47.1 88.8 54.1 56 159 A G S S- 0 0 24 -2,-0.3 2,-0.6 -3,-0.1 -3,-0.1 -0.336 94.4 -32.7 83.7-167.4 46.4 85.4 52.8 57 160 A I - 0 0 108 -2,-0.1 2,-0.3 4,-0.0 -2,-0.1 -0.785 61.3-176.5 -97.4 121.0 48.5 83.3 50.4 58 161 A A - 0 0 7 -2,-0.6 3,-0.2 1,-0.1 -41,-0.2 -0.758 37.6-116.5-109.6 161.3 50.5 85.2 47.9 59 162 A D S S+ 0 0 26 -2,-0.3 2,-0.6 1,-0.3 -42,-0.2 0.919 111.5 35.7 -58.5 -45.6 52.8 83.8 45.1 60 163 A I E S-b 17 0A 0 -44,-2.4 -42,-1.9 34,-0.1 2,-0.5 -0.920 77.0-166.2-117.1 103.8 55.8 85.4 46.7 61 164 A M E -b 18 0A 15 -2,-0.6 35,-2.0 -3,-0.2 2,-0.5 -0.813 9.2-159.9 -93.6 123.9 55.7 85.3 50.6 62 165 A I E +bc 19 96A 0 -44,-3.0 -42,-3.1 -2,-0.5 -41,-0.6 -0.918 19.3 159.0-111.2 126.3 58.3 87.6 52.1 63 166 A S E - c 0 97A 26 33,-1.9 35,-2.3 -2,-0.5 2,-0.4 -0.981 32.8-135.5-145.8 155.7 59.5 87.3 55.7 64 167 A F E + c 0 98A 5 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.868 36.7 152.3-103.0 143.0 62.3 88.1 58.0 65 168 A G E - c 0 99A 9 33,-2.1 35,-2.9 -2,-0.4 36,-0.4 -0.961 31.5-129.9-157.7 174.4 63.7 85.5 60.4 66 169 A I - 0 0 32 -2,-0.3 33,-0.0 2,-0.3 450,-0.0 -0.947 65.4 -26.6-131.9 155.4 66.8 84.4 62.3 67 170 A K S S+ 0 0 87 -2,-0.3 8,-2.5 7,-0.1 2,-0.4 -0.142 128.7 14.1 43.5-128.8 68.6 81.0 62.6 68 171 A E S S+ 0 0 94 6,-0.3 -2,-0.3 1,-0.1 4,-0.1 -0.609 70.3 162.7 -73.0 125.1 66.1 78.2 62.0 69 172 A H - 0 0 21 -2,-0.4 497,-0.3 2,-0.2 -1,-0.1 0.206 67.9 -65.2-134.9 18.1 63.0 79.8 60.4 70 173 A G S S+ 0 0 19 1,-0.4 2,-0.2 495,-0.2 494,-0.1 0.681 105.9 63.9 110.6 24.5 61.0 76.9 58.9 71 174 A D S S- 0 0 28 494,-0.1 -1,-0.4 495,-0.0 -2,-0.2 -0.842 91.1 -89.8-152.1-170.7 63.1 75.5 56.0 72 175 A F S S+ 0 0 187 -2,-0.2 -4,-0.0 1,-0.2 0, 0.0 0.234 107.0 75.5 -93.7 14.0 66.4 73.7 55.3 73 176 A Y - 0 0 134 -6,-0.1 -1,-0.2 11,-0.0 -6,-0.0 -0.539 68.4-175.2-123.5 63.7 68.3 76.9 54.9 74 177 A P - 0 0 47 0, 0.0 -6,-0.3 0, 0.0 -7,-0.1 -0.264 25.0-115.1 -63.2 145.6 68.8 78.2 58.4 75 178 A F - 0 0 10 -8,-2.5 -9,-0.1 1,-0.1 7,-0.1 -0.181 13.8-141.5 -76.3 175.7 70.4 81.7 58.8 76 179 A D - 0 0 77 1,-0.5 -1,-0.1 5,-0.4 -10,-0.0 0.054 39.6-100.7-135.0 22.1 73.8 82.2 60.5 77 180 A G S S- 0 0 6 4,-0.1 -1,-0.5 3,-0.0 24,-0.2 -0.415 82.2 -0.8 84.7-165.5 73.7 85.5 62.6 78 181 A P S S- 0 0 102 0, 0.0 24,-0.2 0, 0.0 3,-0.1 -0.339 121.7 -8.4 -64.1 138.6 75.2 88.8 61.5 79 182 A S S S+ 0 0 55 1,-0.1 2,-0.3 20,-0.1 -3,-0.3 -0.102 96.9 82.7 61.0-166.5 76.9 88.8 58.0 80 183 A G S S+ 0 0 57 -5,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.615 100.4 20.6 66.9-136.3 77.4 85.5 56.1 81 184 A L - 0 0 95 -2,-0.3 -5,-0.4 1,-0.1 3,-0.1 -0.421 64.9-175.1 -64.6 130.1 74.2 84.6 54.3 82 185 A L - 0 0 22 1,-0.3 17,-2.8 -2,-0.2 2,-0.3 0.786 60.0 -31.3 -93.2 -33.8 71.9 87.7 53.9 83 186 A A E -D 98 0A 13 15,-0.3 -1,-0.3 -19,-0.0 2,-0.3 -0.963 51.0-153.1-173.1 164.3 68.8 86.1 52.4 84 187 A H E -D 97 0A 27 13,-2.2 13,-3.2 -2,-0.3 2,-0.3 -0.978 6.2-159.0-153.1 164.1 67.6 83.3 50.1 85 188 A A E -D 96 0A 17 -2,-0.3 11,-0.2 11,-0.2 10,-0.1 -0.980 17.2-123.3-143.8 152.4 64.6 82.6 47.9 86 189 A F - 0 0 40 9,-2.4 8,-0.9 -2,-0.3 3,-0.1 -0.754 32.2-111.6 -97.5 143.6 62.9 79.6 46.4 87 190 A P - 0 0 61 0, 0.0 7,-0.6 0, 0.0 8,-0.2 -0.226 54.0 -66.0 -71.3 164.2 62.4 79.2 42.6 88 191 A P S S+ 0 0 6 0, 0.0 6,-0.1 0, 0.0 37,-0.1 -0.049 83.7 94.5 -52.6 146.7 58.9 79.4 41.1 89 192 A G S S- 0 0 28 4,-0.2 -3,-0.0 -30,-0.1 2,-0.0 -0.921 71.1 -56.6 159.1-176.3 56.4 76.7 42.0 90 193 A P S > S+ 0 0 102 0, 0.0 3,-2.2 0, 0.0 2,-0.4 -0.234 101.2 11.5 -79.1 175.7 53.5 75.9 44.3 91 194 A N T 3 S+ 0 0 146 1,-0.3 -2,-0.1 3,-0.1 4,-0.0 -0.377 140.8 3.9 63.2-111.7 53.7 75.9 48.1 92 195 A Y T > S+ 0 0 147 -2,-0.4 3,-1.9 2,-0.1 -6,-0.3 0.538 99.0 127.4 -82.9 -7.5 57.0 77.5 49.2 93 196 A G T < S+ 0 0 10 -3,-2.2 -4,-0.2 1,-0.2 -32,-0.2 -0.242 74.0 15.6 -56.0 132.9 57.9 78.4 45.6 94 197 A G T 3 S+ 0 0 0 -8,-0.9 -1,-0.2 -7,-0.6 30,-0.2 0.107 90.2 140.2 91.5 -18.0 58.8 82.1 45.1 95 198 A D < - 0 0 15 -3,-1.9 -9,-2.4 -8,-0.2 2,-0.4 -0.214 37.1-155.4 -66.9 145.2 59.2 82.8 48.8 96 199 A A E -cD 62 85A 0 -35,-2.0 -33,-1.9 -11,-0.2 2,-0.4 -0.991 5.9-165.9-128.1 125.0 62.0 85.1 49.9 97 200 A H E -cD 63 84A 21 -13,-3.2 -13,-2.2 -2,-0.4 2,-0.4 -0.922 2.3-162.2-114.2 135.3 63.5 85.0 53.4 98 201 A F E -cD 64 83A 0 -35,-2.3 -33,-2.1 -2,-0.4 2,-0.6 -0.960 24.6-116.9-121.7 136.7 65.8 87.8 54.8 99 202 A D E > -c 65 0A 0 -17,-2.8 3,-1.6 -2,-0.4 -33,-0.2 -0.560 17.3-160.5 -75.2 115.5 68.1 87.3 57.8 100 203 A D T 3 S+ 0 0 2 -35,-2.9 -34,-0.2 -2,-0.6 -1,-0.1 0.366 84.4 75.5 -83.8 9.6 67.0 89.7 60.6 101 204 A D T 3 S+ 0 0 19 -36,-0.4 -1,-0.3 -24,-0.2 2,-0.2 0.508 84.1 86.2 -87.2 -4.4 70.4 89.4 62.2 102 205 A E S < S- 0 0 6 -3,-1.6 2,-0.8 -24,-0.2 -77,-0.1 -0.529 88.9-116.4 -84.8 157.8 71.6 91.8 59.5 103 206 A T - 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