==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-OCT-04 1XUD . COMPND 2 MOLECULE: COLLAGENASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.K.ENGEL,K.U.WENDT . 335 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17147.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 52.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 10.4 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 . 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 . 23 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 20.0 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 . 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 0 103 0, 0.0 2,-0.3 0, 0.0 299,-0.1 0.000 360.0 360.0 360.0 167.3 24.0 3.6 47.1 2 105 A N - 0 0 63 296,-0.5 296,-3.6 305,-0.0 2,-0.2 -0.971 360.0-155.8-148.9 129.8 21.3 6.2 47.3 3 106 A V B -A 297 0A 53 -2,-0.3 294,-0.2 294,-0.3 3,-0.1 -0.672 43.0 -84.9 -98.8 158.3 21.3 9.9 47.9 4 107 A F - 0 0 32 292,-1.9 -1,-0.1 -2,-0.2 172,-0.0 -0.372 56.6 -93.6 -64.3 139.2 18.2 11.7 49.2 5 108 A P - 0 0 57 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 -0.014 28.5-119.6 -48.8 155.0 15.7 12.8 46.5 6 109 A R S S+ 0 0 182 -3,-0.1 170,-0.3 1,-0.1 2,-0.3 0.894 95.5 32.5 -67.2 -41.4 15.9 16.3 45.0 7 110 A T S S- 0 0 23 168,-0.1 2,-0.9 155,-0.1 -1,-0.1 -0.846 93.3-101.1-118.8 155.2 12.5 17.3 46.1 8 111 A L + 0 0 36 166,-1.1 166,-0.3 -2,-0.3 2,-0.3 -0.630 69.8 127.5 -75.3 107.0 10.4 16.4 49.2 9 112 A K - 0 0 87 -2,-0.9 2,-0.3 78,-0.1 117,-0.1 -0.982 64.7 -86.5-156.2 163.9 7.9 13.8 47.8 10 113 A W - 0 0 25 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.577 28.4-149.8 -75.8 136.3 6.6 10.3 48.4 11 114 A S S S+ 0 0 117 -2,-0.3 2,-0.3 -6,-0.0 -1,-0.1 0.278 77.7 61.5 -90.5 10.2 8.7 7.6 46.7 12 115 A K - 0 0 91 1,-0.1 -2,-0.1 2,-0.0 36,-0.0 -0.990 68.6-146.1-137.0 144.1 5.8 5.3 46.2 13 116 A M S S+ 0 0 71 -2,-0.3 36,-2.9 35,-0.1 2,-0.9 0.753 83.8 79.0 -80.8 -25.9 2.6 5.8 44.2 14 117 A N E +b 49 0B 106 34,-0.2 2,-0.3 36,-0.1 36,-0.2 -0.759 64.1 174.4 -88.2 108.5 0.4 3.7 46.5 15 118 A L E -b 50 0B 0 34,-3.0 36,-2.5 -2,-0.9 2,-0.3 -0.846 16.1-151.7-114.7 151.6 -0.5 5.9 49.5 16 119 A T E -b 51 0B 32 -2,-0.3 44,-2.3 34,-0.2 2,-0.3 -0.889 8.9-170.2-121.1 152.3 -2.8 5.2 52.4 17 120 A Y E -bc 52 60B 17 34,-2.0 36,-3.2 -2,-0.3 2,-0.4 -0.949 4.9-160.6-137.9 158.9 -4.8 7.5 54.6 18 121 A R E -bc 53 61B 61 42,-2.0 44,-3.2 -2,-0.3 2,-1.1 -0.983 17.7-141.0-144.5 129.7 -6.8 7.2 57.8 19 122 A I E - c 0 62B 12 34,-0.5 44,-0.2 -2,-0.4 42,-0.1 -0.801 22.8-175.2 -89.6 100.3 -9.5 9.4 59.3 20 123 A V - 0 0 57 42,-2.9 2,-0.3 -2,-1.1 43,-0.2 0.872 61.7 -10.1 -66.9 -41.1 -8.6 9.1 63.0 21 124 A N - 0 0 62 41,-0.7 2,-0.4 -3,-0.1 -1,-0.1 -0.917 68.0-116.4-150.7 176.7 -11.5 11.1 64.3 22 125 A Y - 0 0 52 -2,-0.3 6,-0.1 41,-0.1 5,-0.0 -0.943 19.2-118.5-128.7 146.5 -14.4 13.2 63.3 23 126 A T > - 0 0 5 -2,-0.4 3,-0.6 1,-0.1 8,-0.1 -0.371 23.4-128.0 -73.2 152.4 -15.6 16.8 63.8 24 127 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 76,-0.0 0.724 100.1 72.9 -73.6 -18.4 -19.0 17.4 65.5 25 128 A D T 3 S+ 0 0 75 75,-0.1 2,-0.3 2,-0.0 78,-0.0 0.698 99.1 32.7 -69.8 -26.3 -20.0 19.6 62.6 26 129 A M S < S- 0 0 13 -3,-0.6 79,-0.1 79,-0.1 2,-0.0 -0.920 83.5-101.9-133.7 158.3 -20.6 17.0 59.9 27 130 A T > - 0 0 78 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.303 39.2-109.6 -71.8 162.7 -21.8 13.4 59.7 28 131 A H H > S+ 0 0 113 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.909 120.7 53.3 -59.8 -40.6 -19.2 10.6 59.2 29 132 A S H > S+ 0 0 80 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.894 107.4 50.1 -60.8 -42.9 -20.5 10.1 55.7 30 133 A E H > S+ 0 0 68 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.902 112.8 46.4 -63.0 -43.0 -20.1 13.8 54.8 31 134 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.928 113.5 48.0 -66.1 -45.1 -16.5 13.9 56.2 32 135 A E H X S+ 0 0 53 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.912 112.4 49.6 -61.9 -42.7 -15.5 10.7 54.4 33 136 A K H X S+ 0 0 153 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.923 110.5 50.9 -62.1 -46.1 -17.1 12.0 51.1 34 137 A A H X S+ 0 0 9 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.911 113.6 43.2 -59.0 -46.8 -15.2 15.3 51.4 35 138 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.886 112.4 52.9 -69.7 -38.3 -11.8 13.7 52.0 36 139 A K H X S+ 0 0 147 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.933 111.7 46.2 -61.9 -44.5 -12.3 11.1 49.3 37 140 A K H X S+ 0 0 110 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.868 110.7 54.0 -65.1 -37.1 -13.2 13.8 46.8 38 141 A A H X S+ 0 0 0 -4,-1.8 4,-0.8 -5,-0.2 3,-0.3 0.892 109.1 46.9 -66.1 -41.1 -10.2 15.8 47.9 39 142 A F H >X S+ 0 0 4 -4,-2.4 4,-2.4 1,-0.2 3,-0.8 0.887 107.4 58.1 -68.4 -35.1 -7.8 13.0 47.4 40 143 A K H 3X S+ 0 0 111 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.782 93.4 67.7 -64.5 -26.6 -9.3 12.4 43.9 41 144 A V H 3< S+ 0 0 17 -4,-1.1 4,-0.3 -3,-0.3 -1,-0.2 0.908 112.1 32.3 -58.7 -39.8 -8.4 16.0 43.0 42 145 A W H X< S+ 0 0 0 -4,-0.8 3,-1.0 -3,-0.8 6,-0.3 0.849 115.5 54.5 -87.8 -37.6 -4.8 14.9 43.1 43 146 A S H >< S+ 0 0 34 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.828 100.1 64.6 -66.7 -28.7 -5.0 11.3 42.0 44 147 A D T 3< S+ 0 0 91 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.746 110.8 35.5 -65.9 -21.9 -6.9 12.4 38.8 45 148 A V T < S+ 0 0 31 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.203 120.8 38.9-118.8 17.2 -3.8 14.3 37.6 46 149 A T S < S- 0 0 7 -3,-1.0 121,-0.3 -4,-0.2 118,-0.1 -0.811 88.5-101.0-147.6-177.4 -0.9 12.1 38.8 47 150 A P S S+ 0 0 43 0, 0.0 -4,-0.1 0, 0.0 119,-0.1 0.349 78.5 128.2 -94.5 6.5 -0.1 8.3 39.1 48 151 A L - 0 0 2 -6,-0.3 2,-0.4 -34,-0.1 -2,-0.2 -0.314 42.9-160.7 -66.8 143.2 -0.9 8.4 42.8 49 152 A N E -b 14 0B 85 -36,-2.9 -34,-3.0 -2,-0.1 2,-0.5 -0.970 2.4-156.5-123.6 139.0 -3.4 6.0 44.4 50 153 A F E -b 15 0B 35 -2,-0.4 2,-0.5 -36,-0.2 -34,-0.2 -0.967 9.0-174.5-122.0 120.0 -5.1 6.6 47.8 51 154 A T E -b 16 0B 82 -36,-2.5 -34,-2.0 -2,-0.5 2,-0.3 -0.953 21.4-130.2-115.3 129.6 -6.4 3.7 49.8 52 155 A R E -b 17 0B 69 -2,-0.5 2,-0.4 -36,-0.2 -34,-0.2 -0.584 17.5-163.3 -81.9 135.6 -8.3 4.3 53.0 53 156 A L E -b 18 0B 56 -36,-3.2 -34,-0.5 -2,-0.3 5,-0.1 -0.925 11.8-156.9-114.1 141.5 -7.4 2.5 56.2 54 157 A H S S- 0 0 131 -2,-0.4 2,-0.3 -36,-0.1 -1,-0.1 0.629 77.0 -0.8 -92.9 -14.6 -9.8 2.3 59.1 55 158 A D S S+ 0 0 117 2,-0.0 -1,-0.1 -37,-0.0 2,-0.0 -0.930 98.5 50.2-158.6 177.1 -7.1 1.7 61.7 56 159 A G S S- 0 0 39 -2,-0.3 2,-0.6 -3,-0.1 -3,-0.1 -0.288 96.7 -35.1 80.9-168.8 -3.4 1.3 62.1 57 160 A I - 0 0 155 -2,-0.0 2,-0.2 4,-0.0 -2,-0.0 -0.828 60.1-178.4-100.1 117.1 -0.7 3.6 60.7 58 161 A A - 0 0 5 -2,-0.6 3,-0.2 1,-0.1 -41,-0.2 -0.664 39.0-113.5-105.4 163.5 -1.4 5.2 57.3 59 162 A D S S+ 0 0 30 1,-0.3 2,-0.6 -43,-0.2 -42,-0.2 0.902 111.7 37.7 -63.0 -41.9 0.9 7.5 55.3 60 163 A I E S-c 17 0B 0 -44,-2.3 -42,-2.0 35,-0.1 2,-0.5 -0.896 77.2-165.5-116.5 100.5 -1.5 10.4 55.8 61 164 A M E -c 18 0B 33 -2,-0.6 35,-2.2 -3,-0.2 2,-0.5 -0.764 9.5-158.4 -87.1 123.9 -3.1 10.4 59.3 62 165 A I E +cd 19 96B 0 -44,-3.2 -42,-2.9 -2,-0.5 -41,-0.7 -0.890 20.1 158.5-108.2 129.6 -6.1 12.8 59.4 63 166 A S E - d 0 97B 27 33,-2.2 35,-2.4 -2,-0.5 2,-0.4 -0.991 34.6-136.4-150.3 156.9 -7.5 14.2 62.6 64 167 A F E + d 0 98B 12 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.938 40.4 148.0-110.5 132.6 -9.5 17.0 64.1 65 168 A G E - d 0 99B 18 33,-2.4 35,-2.6 -2,-0.4 36,-0.3 -0.951 32.8-130.2-155.4 173.2 -8.2 18.7 67.3 66 169 A I - 0 0 82 -2,-0.3 33,-0.0 2,-0.3 10,-0.0 -0.900 62.2 -25.1-131.0 160.1 -7.9 21.9 69.2 67 170 A K S S+ 0 0 109 -2,-0.3 8,-2.3 7,-0.1 2,-0.4 -0.028 127.0 13.2 40.4-130.9 -5.2 24.0 70.9 68 171 A E S S+ 0 0 136 6,-0.3 -2,-0.3 1,-0.1 4,-0.1 -0.609 72.7 158.7 -72.3 125.5 -2.3 21.7 71.8 69 172 A H - 0 0 50 -2,-0.4 -1,-0.1 2,-0.2 3,-0.1 0.182 69.1 -61.3-136.8 18.6 -2.9 18.4 69.9 70 173 A G S S+ 0 0 52 1,-0.4 2,-0.3 0, 0.0 -2,-0.1 0.687 104.8 60.5 113.1 19.1 0.5 16.7 69.6 71 174 A D S S- 0 0 9 0, 0.0 -1,-0.4 0, 0.0 -2,-0.2 -0.894 90.9 -85.3-155.7-173.3 2.9 18.9 67.7 72 175 A F S S+ 0 0 118 -2,-0.3 -4,-0.0 1,-0.2 170,-0.0 0.290 108.6 72.8 -87.1 12.6 4.7 22.2 67.5 73 176 A Y - 0 0 133 -6,-0.1 -1,-0.2 11,-0.0 11,-0.0 -0.503 67.0-174.4-126.9 66.6 1.8 23.9 65.8 74 177 A P - 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