==== 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 3KEK . COMPND 2 MOLECULE: COLLAGENASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.-S.SHIEH,B.COLLINS,M.E.SCHNUTE . 322 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17725.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 51.9 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 . 19 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 21.7 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 0 2 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 0 151 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.3 30.5 54.2 -8.2 2 105 A N - 0 0 167 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.902 360.0-161.5-130.4 159.7 31.9 51.6 -5.8 3 106 A V - 0 0 137 -2,-0.3 0, 0.0 0, 0.0 0, 0.0 -0.926 26.6-105.1-137.1 154.7 32.4 51.4 -2.0 4 107 A F - 0 0 194 -2,-0.3 2,-0.3 1,-0.1 0, 0.0 -0.565 35.1-114.5 -79.2 145.4 34.5 49.2 0.3 5 108 A P - 0 0 102 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.631 18.0-141.0 -75.0 141.0 32.9 46.4 2.3 6 109 A R S S+ 0 0 105 -2,-0.3 2,-0.4 1,-0.1 -2,-0.0 0.927 84.1 60.9 -69.5 -47.7 33.1 47.1 6.1 7 110 A T S S- 0 0 87 1,-0.1 2,-0.7 155,-0.0 -1,-0.1 -0.719 88.7-123.4 -88.8 127.8 33.8 43.5 7.2 8 111 A L + 0 0 91 -2,-0.4 2,-0.3 118,-0.1 81,-0.1 -0.570 56.5 123.9 -77.6 111.1 37.0 41.9 5.9 9 112 A K - 0 0 104 -2,-0.7 2,-0.2 78,-0.1 117,-0.1 -0.976 63.6 -92.3-157.7 158.1 36.3 38.6 4.0 10 113 A W - 0 0 20 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.557 23.3-159.3 -73.4 137.1 36.9 37.1 0.6 11 114 A S S S+ 0 0 127 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.482 75.4 69.3 -93.7 -6.9 34.0 37.7 -1.8 12 115 A K - 0 0 94 1,-0.1 -2,-0.1 2,-0.0 3,-0.1 -0.858 68.1-152.2-111.3 148.5 35.1 34.7 -4.0 13 116 A M S S+ 0 0 67 -2,-0.3 36,-3.0 1,-0.1 2,-0.8 0.705 80.5 71.8 -93.3 -24.1 34.8 31.1 -2.9 14 117 A N E +a 49 0A 113 34,-0.2 2,-0.3 36,-0.1 36,-0.2 -0.828 68.3 178.7 -98.6 100.5 37.7 29.6 -5.0 15 118 A L E -a 50 0A 0 34,-3.1 36,-2.2 -2,-0.8 2,-0.3 -0.719 15.4-146.1-105.0 150.4 40.9 30.8 -3.4 16 119 A T E -a 51 0A 33 -2,-0.3 44,-2.2 34,-0.2 2,-0.3 -0.822 11.6-170.7-112.7 152.9 44.5 30.1 -4.4 17 120 A Y E -ab 52 60A 13 34,-2.4 36,-3.3 -2,-0.3 2,-0.4 -0.965 5.4-159.5-138.1 159.1 47.7 29.7 -2.3 18 121 A R E -ab 53 61A 54 42,-2.2 44,-3.4 -2,-0.3 2,-0.9 -0.993 17.2-140.9-140.7 130.0 51.4 29.4 -3.0 19 122 A I E - b 0 62A 15 34,-0.5 44,-0.2 -2,-0.4 3,-0.1 -0.823 21.6-175.7 -89.0 104.9 54.3 28.0 -0.9 20 123 A V - 0 0 61 42,-3.3 2,-0.3 -2,-0.9 43,-0.2 0.841 64.5 -7.0 -75.7 -35.2 57.0 30.6 -1.8 21 124 A N - 0 0 64 41,-0.6 2,-0.3 -3,-0.1 -1,-0.2 -0.931 69.8-119.5-154.4 176.9 59.7 28.7 0.2 22 125 A Y - 0 0 55 -2,-0.3 6,-0.1 -3,-0.1 5,-0.0 -0.926 16.8-120.5-131.3 140.4 60.2 25.8 2.7 23 126 A T > - 0 0 4 -2,-0.3 3,-0.7 1,-0.1 8,-0.1 -0.500 22.2-132.3 -69.8 146.3 61.4 25.2 6.2 24 127 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.721 96.8 75.2 -65.6 -22.8 64.5 22.9 6.6 25 128 A D T 3 S+ 0 0 73 77,-0.2 2,-0.3 75,-0.1 78,-0.0 0.641 100.1 32.6 -73.3 -18.1 62.7 21.0 9.4 26 129 A M S < S- 0 0 12 -3,-0.7 79,-0.1 79,-0.1 78,-0.0 -0.945 87.9-100.3-137.2 153.7 60.3 19.1 7.2 27 130 A T > - 0 0 74 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.308 37.9-109.3 -67.7 158.2 60.3 17.6 3.7 28 131 A H H > S+ 0 0 115 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.909 122.8 50.9 -47.9 -46.9 58.6 19.5 0.8 29 132 A S H > S+ 0 0 83 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.903 109.3 47.9 -62.0 -46.7 56.0 16.8 0.9 30 133 A E H > S+ 0 0 87 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.865 113.2 48.5 -64.1 -39.0 55.4 17.0 4.6 31 134 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.929 112.4 48.6 -66.2 -46.2 55.1 20.8 4.5 32 135 A E H X S+ 0 0 48 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.930 111.7 50.0 -58.5 -45.6 52.7 20.6 1.5 33 136 A K H X S+ 0 0 139 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.890 108.8 52.5 -61.0 -42.8 50.6 17.9 3.4 34 137 A A H X S+ 0 0 5 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.948 111.9 44.6 -59.9 -48.7 50.4 20.1 6.5 35 138 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.894 112.6 51.2 -65.8 -40.1 49.1 23.2 4.6 36 139 A K H X S+ 0 0 149 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.917 111.4 48.4 -61.3 -44.8 46.6 21.1 2.6 37 140 A K H X S+ 0 0 98 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.919 110.4 52.2 -58.1 -45.1 45.3 19.6 5.9 38 141 A A H X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.849 110.5 47.2 -63.1 -38.4 45.1 23.1 7.4 39 142 A F H >X S+ 0 0 4 -4,-2.2 4,-2.3 1,-0.2 3,-0.5 0.859 105.4 59.3 -71.1 -35.4 43.0 24.4 4.4 40 143 A K H 3X S+ 0 0 115 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.847 95.0 65.7 -62.4 -31.8 40.7 21.3 4.6 41 144 A V H 3< S+ 0 0 15 -4,-1.5 4,-0.2 1,-0.2 -1,-0.2 0.925 111.2 34.7 -48.6 -47.9 39.8 22.4 8.1 42 145 A W H XX S+ 0 0 0 -4,-0.7 3,-0.9 -3,-0.5 4,-0.5 0.840 114.2 55.0 -84.0 -34.0 38.2 25.5 6.7 43 146 A S H 3< S+ 0 0 35 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.816 103.9 58.1 -69.8 -28.0 36.8 24.0 3.4 44 147 A D T 3< S+ 0 0 103 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.651 115.0 36.0 -69.3 -18.6 35.0 21.4 5.5 45 148 A V T <4 S+ 0 0 43 -3,-0.9 -2,-0.2 -4,-0.2 -1,-0.2 0.304 122.4 37.2-120.6 7.8 33.1 24.2 7.4 46 149 A T S < S- 0 0 19 -4,-0.5 118,-0.1 -3,-0.4 114,-0.1 -0.915 84.0-107.6-145.7 167.5 32.6 26.7 4.6 47 150 A P S S+ 0 0 73 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 0.334 81.2 121.6 -76.6 6.7 31.8 26.9 0.9 48 151 A L - 0 0 1 -6,-0.3 2,-0.3 -34,-0.1 -2,-0.2 -0.425 45.1-164.2 -76.2 146.4 35.5 27.9 0.3 49 152 A N E -a 14 0A 86 -36,-3.0 -34,-3.1 -2,-0.1 2,-0.4 -0.955 5.2-151.1-126.7 148.5 37.9 25.9 -1.8 50 153 A F E -a 15 0A 34 -2,-0.3 2,-0.4 -36,-0.2 -34,-0.2 -0.981 8.9-171.7-127.6 130.8 41.7 26.2 -1.9 51 154 A T E -a 16 0A 80 -36,-2.2 -34,-2.4 -2,-0.4 2,-0.4 -0.989 19.5-132.3-124.8 130.0 44.0 25.5 -4.9 52 155 A R E -a 17 0A 68 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.643 18.2-160.0 -82.4 131.3 47.7 25.4 -4.7 53 156 A L E -a 18 0A 58 -36,-3.3 -34,-0.5 -2,-0.4 5,-0.1 -0.854 14.0-153.8-109.0 149.0 49.8 27.3 -7.3 54 157 A H S S+ 0 0 140 -2,-0.3 2,-0.3 -36,-0.1 -36,-0.1 0.411 77.6 5.0-100.1 -0.7 53.4 26.6 -8.2 55 158 A D S S+ 0 0 123 2,-0.0 -1,-0.1 0, 0.0 -35,-0.0 -0.965 97.1 38.6-165.6 171.1 54.2 30.2 -9.4 56 159 A G S S- 0 0 32 -2,-0.3 2,-0.6 -3,-0.1 -3,-0.1 -0.114 95.4 -30.2 76.1-168.5 52.8 33.7 -9.7 57 160 A I - 0 0 147 4,-0.0 2,-0.2 -40,-0.0 -1,-0.0 -0.775 59.2-176.1 -96.0 118.7 50.6 35.6 -7.4 58 161 A A - 0 0 7 -2,-0.6 3,-0.2 1,-0.1 -41,-0.1 -0.705 38.2-115.1-103.0 163.0 48.2 33.6 -5.3 59 162 A D S S+ 0 0 31 1,-0.3 2,-0.6 -2,-0.2 -42,-0.2 0.911 112.1 38.5 -60.0 -42.8 45.5 35.0 -2.9 60 163 A I E S-b 17 0A 0 -44,-2.2 -42,-2.2 34,-0.1 2,-0.6 -0.922 75.6-167.4-115.4 106.0 47.5 33.5 0.0 61 164 A M E -b 18 0A 29 -2,-0.6 35,-1.7 -44,-0.2 2,-0.5 -0.846 10.3-159.2 -94.1 116.8 51.3 33.7 -0.3 62 165 A I E +bc 19 96A 0 -44,-3.4 -42,-3.3 -2,-0.6 -41,-0.6 -0.852 19.6 161.1-101.9 130.2 52.9 31.4 2.3 63 166 A S E - c 0 97A 27 33,-2.1 35,-2.4 -2,-0.5 2,-0.4 -0.988 32.1-134.3-146.7 154.7 56.5 32.0 3.3 64 167 A F E + c 0 98A 13 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.907 36.8 150.0-106.3 137.6 59.0 31.1 6.0 65 168 A G E - c 0 99A 15 33,-2.2 35,-2.5 -2,-0.4 36,-0.4 -0.959 31.8-132.2-155.0 170.4 61.3 33.8 7.5 66 169 A I - 0 0 79 2,-0.3 33,-0.0 -2,-0.3 10,-0.0 -0.954 65.2 -28.1-128.9 153.5 63.2 34.9 10.6 67 170 A K S S+ 0 0 84 -2,-0.3 8,-2.2 7,-0.1 2,-0.4 -0.167 129.5 15.3 46.4-128.9 63.4 38.2 12.5 68 171 A E S S+ 0 0 139 6,-0.2 -2,-0.3 1,-0.1 4,-0.1 -0.637 70.3 159.1 -72.4 126.4 62.9 41.0 9.9 69 172 A H S S- 0 0 50 -2,-0.4 -1,-0.1 2,-0.2 3,-0.1 0.159 71.1 -63.0-137.4 18.5 61.4 39.4 6.8 70 173 A G S S+ 0 0 65 1,-0.4 2,-0.3 0, 0.0 -2,-0.1 0.694 105.3 63.1 108.9 27.4 59.7 42.4 4.9 71 174 A D S S- 0 0 30 0, 0.0 -1,-0.4 0, 0.0 -2,-0.2 -0.893 90.3 -86.7-156.1-173.0 56.9 43.8 7.1 72 175 A F S S+ 0 0 185 -2,-0.3 -4,-0.0 1,-0.2 0, 0.0 0.285 107.7 72.8 -86.1 11.1 56.1 45.5 10.4 73 176 A Y - 0 0 129 -6,-0.1 -1,-0.2 11,-0.0 -6,-0.0 -0.493 67.6-175.9-126.4 61.4 55.8 42.2 12.3 74 177 A P - 0 0 49 0, 0.0 -6,-0.2 0, 0.0 -7,-0.1 -0.210 25.5-116.8 -58.5 147.8 59.4 40.9 12.8 75 178 A F - 0 0 8 -8,-2.2 -9,-0.1 1,-0.1 7,-0.1 -0.304 13.0-143.1 -84.1 174.6 59.8 37.5 14.4 76 179 A D - 0 0 27 1,-0.5 -1,-0.1 5,-0.4 -10,-0.0 0.059 40.3 -98.0-135.4 20.4 61.6 36.9 17.7 77 180 A G S S- 0 0 3 4,-0.1 -1,-0.5 160,-0.1 24,-0.2 -0.411 82.4 -2.9 84.2-167.0 63.5 33.6 17.6 78 181 A P S S- 0 0 37 0, 0.0 24,-0.2 0, 0.0 3,-0.1 -0.252 118.9 -4.0 -63.1 147.3 62.3 30.3 19.1 79 182 A S S S+ 0 0 43 1,-0.2 2,-0.3 3,-0.0 -3,-0.3 -0.152 100.5 71.9 61.4-165.1 58.9 30.4 20.9 80 183 A G S S+ 0 0 60 -5,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.459 105.3 26.2 62.2-122.4 56.9 33.6 21.4 81 184 A L + 0 0 98 -2,-0.3 -5,-0.4 1,-0.2 3,-0.1 -0.577 65.6 175.1 -72.2 120.5 55.5 34.6 18.0 82 185 A L - 0 0 22 -2,-0.4 17,-2.2 1,-0.4 2,-0.3 0.723 61.2 -33.7 -95.9 -26.8 55.2 31.5 15.8 83 186 A A E -D 98 0A 10 15,-0.3 -1,-0.4 -19,-0.0 2,-0.3 -0.957 51.7-150.2-179.3 166.6 53.6 33.0 12.8 84 187 A H E -D 97 0A 32 13,-2.3 13,-3.1 -2,-0.3 2,-0.3 -0.969 5.7-159.8-155.3 159.9 51.2 35.6 11.6 85 188 A A E -D 96 0A 17 -2,-0.3 11,-0.2 11,-0.2 10,-0.1 -0.984 19.0-121.6-141.8 152.4 48.8 36.2 8.7 86 189 A F - 0 0 36 9,-2.5 8,-1.0 6,-0.3 3,-0.1 -0.679 32.9-110.6 -93.7 145.0 47.1 39.1 7.1 87 190 A P - 0 0 62 0, 0.0 7,-0.8 0, 0.0 8,-0.2 -0.202 56.4 -62.2 -69.1 167.5 43.3 39.5 6.8 88 191 A P S S+ 0 0 9 0, 0.0 37,-0.1 0, 0.0 5,-0.1 -0.147 85.3 102.7 -50.4 137.9 41.5 39.2 3.5 89 192 A G - 0 0 23 4,-0.2 -3,-0.0 -30,-0.1 -79,-0.0 -0.913 69.2 -74.3 167.7 174.2 42.5 41.9 0.9 90 193 A P S > S+ 0 0 110 0, 0.0 3,-2.3 0, 0.0 2,-0.3 -0.185 102.3 19.4 -77.6-178.2 44.5 42.6 -2.2 91 194 A N T 3 S+ 0 0 148 1,-0.3 -2,-0.1 3,-0.0 4,-0.1 -0.390 143.2 0.0 59.8-113.9 48.3 42.9 -2.0 92 195 A Y T > S+ 0 0 150 -2,-0.3 3,-2.0 2,-0.1 -6,-0.3 0.557 98.4 128.2 -83.8 -9.2 49.4 41.3 1.2 93 196 A G T < S+ 0 0 10 -3,-2.3 -32,-0.2 1,-0.3 -4,-0.2 -0.234 77.6 12.3 -51.9 131.6 45.9 40.3 2.3 94 197 A G T 3 S+ 0 0 0 -8,-1.0 -1,-0.3 -7,-0.8 30,-0.1 0.016 91.2 140.0 91.3 -24.1 45.7 36.6 3.1 95 198 A D < - 0 0 15 -3,-2.0 -9,-2.5 -8,-0.2 2,-0.4 -0.171 37.7-153.6 -61.5 144.6 49.5 36.0 3.2 96 199 A A E -cD 62 85A 0 -35,-1.7 -33,-2.1 -11,-0.2 2,-0.4 -0.987 6.7-165.8-127.6 124.8 50.8 33.8 6.0 97 200 A H E -cD 63 84A 18 -13,-3.1 -13,-2.3 -2,-0.4 2,-0.4 -0.926 4.7-159.7-113.1 133.0 54.3 34.1 7.4 98 201 A F E -cD 64 83A 0 -35,-2.4 -33,-2.2 -2,-0.4 2,-0.6 -0.961 22.2-120.7-118.4 129.9 55.9 31.3 9.5 99 202 A D E > -c 65 0A 0 -17,-2.2 3,-1.6 -2,-0.4 -33,-0.2 -0.516 16.6-160.6 -69.0 113.4 58.9 31.9 11.9 100 203 A D T 3 S+ 0 0 36 -35,-2.5 -34,-0.2 -2,-0.6 -1,-0.1 0.333 83.3 77.9 -84.4 9.7 61.7 29.6 10.8 101 204 A D T 3 S+ 0 0 55 -36,-0.4 -1,-0.3 -24,-0.2 2,-0.2 0.455 81.9 89.8 -85.7 -4.0 63.4 29.9 14.2 102 205 A E S < S- 0 0 4 -3,-1.6 2,-0.9 -20,-0.2 -77,-0.2 -0.582 88.3-116.9 -83.0 155.8 60.7 27.4 15.4 103 206 A T - 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