==== 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 28-JAN-05 1YOU . COMPND 2 MOLECULE: COLLAGENASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.PANDIT . 333 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16598.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 53.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.6 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 . 25 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 19.8 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 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 2 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 PARALLEL BRIDGES PER LADDER . 2 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 0 187 0, 0.0 297,-0.1 0, 0.0 296,-0.0 0.000 360.0 360.0 360.0-171.8 63.4 40.9 25.8 2 105 A N + 0 0 32 294,-0.1 295,-2.2 295,-0.1 2,-0.3 0.783 360.0 19.7 -56.1 -59.3 65.7 41.3 22.8 3 106 A V B S-A 296 0A 54 293,-0.3 293,-0.2 2,-0.0 295,-0.1 -0.768 93.9 -82.4-112.6 161.8 63.9 40.4 19.4 4 107 A F - 0 0 30 291,-1.9 173,-0.5 -2,-0.3 -2,-0.1 -0.470 38.5-124.0 -71.2 128.2 60.2 40.1 18.7 5 108 A P - 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.674 39.0-161.1 -33.8 -51.7 58.4 36.8 19.7 6 109 A R - 0 0 145 1,-0.1 169,-0.1 170,-0.1 170,-0.0 0.190 15.9-152.3 78.0 157.6 56.8 35.6 16.3 7 110 A T + 0 0 79 167,-0.3 -1,-0.1 82,-0.0 169,-0.1 -0.372 23.3 162.8-162.2 86.5 54.0 33.0 15.4 8 111 A L S S+ 0 0 45 167,-0.1 2,-0.3 79,-0.1 165,-0.2 0.667 72.4 23.4 -78.1 -12.0 54.0 31.2 12.1 9 112 A K S S- 0 0 98 78,-0.1 2,-0.2 79,-0.1 117,-0.1 -0.970 81.2 -96.4-151.1 166.3 51.5 28.5 13.4 10 113 A W - 0 0 17 -2,-0.3 5,-0.0 115,-0.3 -2,-0.0 -0.574 23.2-144.0 -83.6 144.8 48.7 27.5 15.9 11 114 A S S S+ 0 0 125 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.726 79.8 55.6 -84.1 -16.8 49.8 25.6 19.0 12 115 A K - 0 0 88 1,-0.1 -2,-0.1 2,-0.0 36,-0.0 -0.818 66.6-143.9-125.4 151.5 46.6 23.5 19.0 13 116 A M S S+ 0 0 63 -2,-0.3 36,-2.6 1,-0.1 2,-0.9 0.829 84.3 71.4 -85.3 -32.7 44.8 21.1 16.6 14 117 A N E -b 49 0B 101 34,-0.2 2,-0.3 36,-0.1 36,-0.2 -0.747 66.7-175.7 -93.5 101.3 41.2 22.0 17.5 15 118 A L E -b 50 0B 0 34,-2.8 36,-2.6 -2,-0.9 2,-0.4 -0.636 12.6-148.2 -95.2 146.0 40.2 25.4 16.3 16 119 A T E -b 51 0B 35 -2,-0.3 44,-2.5 34,-0.2 2,-0.4 -0.886 12.8-171.3-104.0 149.6 37.0 27.3 16.9 17 120 A Y E -bc 52 60B 13 34,-3.0 36,-2.8 -2,-0.4 2,-0.4 -0.990 6.9-158.5-134.4 154.2 35.4 29.8 14.5 18 121 A R E -bc 53 61B 59 42,-2.2 44,-2.8 -2,-0.4 2,-1.1 -0.998 16.3-141.5-125.0 133.4 32.4 32.2 14.8 19 122 A I E - c 0 62B 14 34,-0.5 44,-0.2 -2,-0.4 42,-0.1 -0.767 21.0-175.4 -87.0 92.6 30.3 33.8 12.0 20 123 A V - 0 0 58 42,-2.2 2,-0.3 -2,-1.1 43,-0.2 0.884 63.3 -13.5 -63.8 -37.4 29.9 37.3 13.5 21 124 A N - 0 0 69 41,-0.8 2,-0.3 -3,-0.1 -1,-0.1 -0.917 68.1-115.6-157.5-174.3 27.5 38.5 10.7 22 125 A Y - 0 0 55 -2,-0.3 6,-0.1 42,-0.1 42,-0.1 -0.885 19.5-114.7-140.1 141.4 26.2 37.6 7.2 23 126 A T - 0 0 6 -2,-0.3 3,-0.5 4,-0.1 8,-0.1 -0.497 24.6-129.3 -69.7 145.1 26.2 38.9 3.7 24 127 A P S S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 79,-0.0 0.631 98.0 70.1 -56.7 -18.6 22.9 40.0 2.2 25 128 A D S S+ 0 0 77 2,-0.1 2,-0.3 80,-0.0 78,-0.0 0.578 98.4 34.2 -90.6 -15.3 23.6 37.8 -1.0 26 129 A M S S- 0 0 13 -3,-0.5 79,-0.0 79,-0.1 78,-0.0 -0.897 86.7 -99.9-133.8 158.4 23.2 34.3 0.3 27 130 A T > - 0 0 72 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.277 38.8-107.3 -69.8 163.6 21.0 32.5 2.9 28 131 A H H > S+ 0 0 113 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.939 123.6 50.9 -57.2 -45.5 22.5 31.8 6.3 29 132 A S H > S+ 0 0 73 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.931 107.2 54.2 -65.1 -41.6 22.6 28.1 5.5 30 133 A E H > S+ 0 0 65 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.933 112.8 42.5 -46.7 -57.4 24.5 28.9 2.1 31 134 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.3 0.938 112.6 54.0 -56.6 -50.7 27.2 30.9 4.0 32 135 A E H X S+ 0 0 36 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.873 109.6 47.9 -51.6 -44.2 27.4 28.3 6.7 33 136 A K H X S+ 0 0 100 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.856 109.6 53.1 -66.2 -37.7 28.0 25.6 4.1 34 137 A A H X S+ 0 0 10 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.909 113.7 40.7 -61.9 -52.5 30.7 27.6 2.3 35 138 A F H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.883 114.9 52.0 -66.8 -41.7 32.7 28.2 5.5 36 139 A K H X S+ 0 0 128 -4,-2.2 4,-1.4 -5,-0.3 -2,-0.2 0.926 115.0 43.0 -57.6 -44.0 32.2 24.6 6.8 37 140 A K H X S+ 0 0 69 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.853 109.7 55.7 -78.2 -34.3 33.4 23.3 3.4 38 141 A A H X S+ 0 0 0 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.835 111.0 46.4 -59.6 -41.5 36.3 25.8 3.1 39 142 A F H X S+ 0 0 3 -4,-1.9 4,-1.6 2,-0.2 3,-0.3 0.744 105.3 58.8 -68.1 -34.5 37.6 24.5 6.5 40 143 A K H X S+ 0 0 120 -4,-1.4 4,-1.3 2,-0.2 -2,-0.2 0.714 94.5 67.8 -70.3 -21.3 37.1 20.8 5.5 41 144 A V H < S+ 0 0 12 -4,-0.9 4,-0.3 1,-0.2 -1,-0.2 0.935 110.9 32.7 -58.0 -45.6 39.5 21.6 2.7 42 145 A W H >< S+ 0 0 0 -4,-0.6 3,-0.5 -3,-0.3 6,-0.2 0.769 116.0 54.6 -83.9 -28.4 42.3 22.0 5.2 43 146 A S H >< S+ 0 0 32 -4,-1.6 3,-0.7 1,-0.2 -1,-0.2 0.712 98.1 66.7 -83.3 -15.8 41.1 19.5 7.9 44 147 A D T 3< S+ 0 0 88 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.751 110.0 34.0 -74.6 -27.8 41.0 16.7 5.3 45 148 A V T < S+ 0 0 32 -3,-0.5 -1,-0.2 -4,-0.3 121,-0.2 0.087 121.5 39.5-119.8 24.8 44.8 16.8 4.8 46 149 A T S < S- 0 0 4 -3,-0.7 121,-0.4 119,-0.3 120,-0.2 -0.877 87.7-101.8-155.5 173.1 46.0 17.7 8.4 47 150 A P S S+ 0 0 52 0, 0.0 -4,-0.1 0, 0.0 119,-0.1 0.523 80.2 124.1 -80.3 -7.9 45.1 16.8 12.0 48 151 A L - 0 0 1 -6,-0.2 2,-0.3 -34,-0.1 -34,-0.2 -0.181 43.0-165.4 -55.9 139.5 43.3 20.2 12.4 49 152 A N E -b 14 0B 86 -36,-2.6 -34,-2.8 2,-0.0 2,-0.4 -0.972 4.3-151.9-127.5 149.2 39.7 20.2 13.5 50 153 A F E -b 15 0B 33 -2,-0.3 2,-0.4 -36,-0.2 -34,-0.2 -0.961 11.0-175.2-127.7 128.5 37.2 23.1 13.2 51 154 A T E -b 16 0B 79 -36,-2.6 -34,-3.0 -2,-0.4 2,-0.4 -0.962 20.7-125.3-127.0 148.1 34.2 23.8 15.4 52 155 A R E -b 17 0B 63 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.707 16.7-167.6 -91.4 132.4 31.5 26.5 15.2 53 156 A L E -b 18 0B 48 -36,-2.8 -34,-0.5 -2,-0.4 5,-0.1 -0.946 11.4-159.0-111.0 134.4 30.6 28.8 18.0 54 157 A H S S+ 0 0 126 -2,-0.4 2,-0.3 -36,-0.1 -1,-0.1 0.697 75.8 15.7 -83.1 -21.3 27.4 30.9 17.8 55 158 A D S S+ 0 0 129 2,-0.1 -1,-0.1 -37,-0.0 -35,-0.0 -0.892 98.4 16.7-144.0 169.0 28.6 33.6 20.3 56 159 A G S S- 0 0 37 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.1 -0.055 95.7 -11.5 70.0-165.9 31.7 35.0 22.1 57 160 A I + 0 0 155 4,-0.0 2,-0.3 -40,-0.0 -2,-0.1 -0.592 62.1 171.5 -75.7 126.4 35.5 34.7 21.5 58 161 A A - 0 0 5 -2,-0.3 3,-0.2 -40,-0.1 -41,-0.1 -0.888 43.9-115.1-124.1 159.8 36.5 32.1 18.9 59 162 A D S S+ 0 0 30 -2,-0.3 2,-0.6 1,-0.2 -42,-0.2 0.943 109.9 37.8 -55.8 -46.4 40.1 31.5 17.4 60 163 A I E S-c 17 0B 0 -44,-2.5 -42,-2.2 35,-0.1 2,-0.5 -0.927 75.0-170.0-116.2 107.0 38.8 32.4 14.0 61 164 A M E -c 18 0B 36 -2,-0.6 35,-1.8 -44,-0.2 2,-0.5 -0.878 7.6-163.2-102.1 126.5 36.2 35.3 13.8 62 165 A I E +cd 19 96B 0 -44,-2.8 -42,-2.2 -2,-0.5 -41,-0.8 -0.917 17.5 154.9-119.5 122.7 34.5 35.8 10.5 63 166 A S E - d 0 97B 27 33,-2.1 35,-2.4 -2,-0.5 2,-0.5 -0.941 34.1-125.2-143.8 172.4 32.7 38.9 9.4 64 167 A F E + d 0 98B 14 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.937 37.2 153.6-116.4 126.0 31.6 40.9 6.5 65 168 A G E - d 0 99B 14 33,-2.2 35,-1.7 -2,-0.5 36,-0.4 -0.969 31.3-135.2-151.3 169.4 32.3 44.6 6.0 66 169 A I - 0 0 86 -2,-0.3 33,-0.0 33,-0.2 32,-0.0 -0.865 65.2 -26.5-118.3 154.2 32.8 47.5 3.7 67 170 A K S S+ 0 0 110 -2,-0.3 8,-1.6 7,-0.1 2,-0.6 0.034 126.4 11.0 49.2-141.3 35.5 50.3 3.6 68 171 A E S S+ 0 0 90 6,-0.2 -2,-0.2 1,-0.1 -1,-0.0 -0.559 76.0 164.0 -67.6 113.8 37.0 51.1 7.0 69 172 A H - 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