==== 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 27-FEB-07 2OZR . COMPND 2 MOLECULE: COLLAGENASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.R.JOHNSON,A.G.PAVLOVSKY,D.F.ORTWINE,F.PRIOR,C.-F.MAN, . 1327 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 63586.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 683 51.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 139 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 3.2 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 . 4 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 . 95 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 261 19.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 8 5 3 0 0 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 8 8 13 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 . 5 0 8 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 . 8 0 0 8 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 83 A Y 0 0 259 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 167.4 25.1 10.7 -26.3 2 84 A N - 0 0 157 3,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.995 360.0-146.2-148.9 149.5 24.2 13.7 -24.1 3 85 A V - 0 0 117 -2,-0.3 3,-0.1 1,-0.1 0, 0.0 -0.682 43.9 -91.2 -99.8 158.6 24.5 17.4 -23.8 4 86 A F - 0 0 201 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 -0.567 57.5 -95.8 -67.6 134.7 24.9 19.2 -20.5 5 87 A P - 0 0 88 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.010 27.6-123.1 -45.2 157.3 21.4 20.2 -19.2 6 88 A R S S+ 0 0 248 1,-0.1 2,-0.4 -3,-0.1 -2,-0.1 0.696 92.1 32.8 -86.6 -20.2 20.3 23.7 -20.0 7 89 A T S S- 0 0 71 2,-0.1 2,-1.3 155,-0.1 -1,-0.1 -0.982 92.2-104.6-131.0 144.5 19.6 24.7 -16.5 8 90 A L S S+ 0 0 109 -2,-0.4 2,-0.3 118,-0.1 81,-0.1 -0.620 74.1 135.7 -62.2 95.8 21.4 23.8 -13.3 9 91 A K - 0 0 80 -2,-1.3 2,-0.2 78,-0.1 117,-0.1 -0.966 61.6 -94.0-144.8 154.9 18.5 21.5 -12.2 10 92 A W - 0 0 17 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.526 20.6-150.6 -74.3 139.4 18.3 18.0 -10.8 11 93 A S S S+ 0 0 119 -2,-0.2 2,-0.3 -6,-0.0 -1,-0.1 0.374 81.3 52.1 -90.1 2.1 17.9 15.2 -13.3 12 94 A K - 0 0 84 1,-0.1 -2,-0.1 2,-0.0 3,-0.0 -0.921 67.8-145.7-133.7 161.8 16.0 13.1 -10.7 13 95 A M S S+ 0 0 59 -2,-0.3 36,-3.0 35,-0.1 2,-0.8 0.619 83.0 79.6-100.7 -19.7 13.0 13.7 -8.4 14 96 A N E +a 49 0A 39 34,-0.2 2,-0.4 36,-0.1 36,-0.2 -0.833 62.4 172.7 -92.3 107.8 14.3 11.6 -5.5 15 97 A L E -a 50 0A 0 34,-3.2 36,-2.7 -2,-0.8 2,-0.3 -0.918 18.3-148.8-118.2 146.0 16.9 13.6 -3.6 16 98 A T E -a 51 0A 19 -2,-0.4 44,-2.7 34,-0.2 43,-0.4 -0.830 9.7-167.3-109.4 150.5 18.5 12.8 -0.3 17 99 A Y E -ab 52 60A 21 34,-2.3 36,-3.2 -2,-0.3 2,-0.4 -0.980 4.1-163.2-134.2 152.5 19.8 15.1 2.4 18 100 A R E -ab 53 61A 7 42,-1.8 44,-2.9 -2,-0.3 2,-0.9 -1.000 18.2-140.6-134.9 130.2 22.0 14.6 5.4 19 101 A I E - b 0 62A 6 34,-0.5 44,-0.2 -2,-0.4 42,-0.1 -0.838 22.0-172.3 -84.8 102.2 22.4 16.9 8.5 20 102 A V - 0 0 5 42,-3.7 2,-0.3 -2,-0.9 43,-0.2 0.927 62.2 -9.0 -67.6 -49.7 26.2 16.6 9.0 21 103 A N S S- 0 0 2 41,-0.5 2,-0.3 1007,-0.1 1007,-0.2 -0.847 70.1-118.8-140.9-178.9 26.4 18.5 12.3 22 104 A Y B -E 1027 0B 2 1005,-3.1 1005,-2.8 -2,-0.3 1047,-0.1 -0.907 18.8-114.7-130.1 149.4 24.2 20.6 14.6 23 105 A T - 0 0 0 -2,-0.3 3,-0.5 1003,-0.2 1003,-0.1 -0.444 17.9-135.0 -73.8 151.3 24.1 24.1 16.0 24 106 A P S S+ 0 0 44 0, 0.0 -1,-0.1 0, 0.0 1002,-0.1 0.675 97.2 75.0 -68.5 -19.3 24.5 24.7 19.8 25 107 A D S S+ 0 0 63 75,-0.1 2,-0.3 2,-0.0 78,-0.0 0.585 100.5 26.1 -77.8 -15.2 21.5 27.1 19.5 26 108 A M S S- 0 0 5 -3,-0.5 79,-0.0 79,-0.1 78,-0.0 -0.962 86.8 -96.1-144.9 156.4 18.6 24.7 19.1 27 109 A T > - 0 0 26 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.317 40.6-107.1 -67.0 157.0 17.9 21.1 20.1 28 110 A H H > S+ 0 0 34 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.878 122.2 52.6 -49.5 -42.5 18.5 18.3 17.6 29 111 A S H > S+ 0 0 19 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.925 106.7 50.4 -62.3 -48.8 14.7 18.0 17.2 30 112 A E H > S+ 0 0 18 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.876 113.0 47.4 -53.7 -45.2 14.2 21.7 16.5 31 113 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.919 113.9 46.2 -66.3 -46.9 16.9 21.6 13.8 32 114 A E H X S+ 0 0 55 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.935 112.0 51.5 -58.6 -48.2 15.4 18.4 12.2 33 115 A K H X S+ 0 0 87 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.850 111.3 49.4 -55.4 -38.2 11.9 19.9 12.3 34 116 A A H X S+ 0 0 5 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.897 113.2 42.9 -74.3 -45.7 13.3 23.1 10.6 35 117 A F H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 5,-0.2 0.935 114.1 52.2 -63.4 -45.9 15.1 21.3 7.7 36 118 A K H X S+ 0 0 143 -4,-2.7 4,-1.9 -5,-0.2 3,-0.2 0.930 112.4 45.8 -54.3 -47.6 12.1 18.9 7.2 37 119 A K H X S+ 0 0 76 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.896 109.4 54.8 -62.9 -43.4 9.7 21.9 7.0 38 120 A A H X S+ 0 0 0 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.802 111.3 44.6 -59.2 -36.4 12.1 23.8 4.6 39 121 A F H X S+ 0 0 6 -4,-1.9 4,-2.2 -3,-0.2 3,-0.4 0.836 107.3 59.6 -76.5 -36.5 12.1 20.8 2.2 40 122 A K H X S+ 0 0 107 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.811 95.6 63.5 -60.2 -38.3 8.3 20.4 2.6 41 123 A V H < S+ 0 0 14 -4,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.917 112.9 34.2 -48.0 -49.6 7.8 23.9 1.2 42 124 A W H >< S+ 0 0 0 -4,-0.7 3,-0.8 -3,-0.4 6,-0.3 0.825 115.6 53.8 -83.0 -33.7 9.4 22.8 -2.1 43 125 A S H >< S+ 0 0 31 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.750 99.4 65.3 -70.5 -24.8 8.1 19.3 -2.2 44 126 A D T 3< S+ 0 0 105 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.644 109.7 35.5 -74.1 -17.4 4.5 20.4 -1.8 45 127 A V T < S+ 0 0 33 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 0.268 121.8 43.3-119.0 9.5 4.5 22.3 -5.1 46 128 A T S < S- 0 0 7 -3,-0.6 121,-0.4 119,-0.3 120,-0.3 -0.843 87.0-105.1-141.0 170.8 6.6 19.9 -7.1 47 129 A P S S+ 0 0 51 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 0.074 76.3 131.7 -84.4 22.9 7.2 16.1 -7.7 48 130 A L - 0 0 9 -6,-0.3 2,-0.4 -5,-0.1 -2,-0.2 -0.563 40.1-165.3 -79.0 141.7 10.3 16.4 -5.6 49 131 A N E -a 14 0A 50 -36,-3.0 -34,-3.2 -2,-0.2 2,-0.5 -0.997 3.9-156.5-131.6 121.1 10.8 13.8 -2.8 50 132 A F E -a 15 0A 34 -2,-0.4 2,-0.5 -36,-0.2 -34,-0.2 -0.915 7.4-169.4-108.9 124.1 13.4 14.4 -0.1 51 133 A T E -a 16 0A 20 -36,-2.7 -34,-2.3 -2,-0.5 2,-0.4 -0.946 18.5-130.6-114.6 126.2 14.8 11.4 1.8 52 134 A R E -a 17 0A 60 -2,-0.5 2,-0.3 -36,-0.2 -34,-0.2 -0.627 18.4-165.3 -81.5 125.6 16.9 11.8 4.9 53 135 A L E -a 18 0A 32 -36,-3.2 -34,-0.5 -2,-0.4 3,-0.1 -0.826 11.3-162.1-100.3 146.9 20.3 10.0 5.2 54 136 A H S S+ 0 0 127 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.709 75.9 5.0 -97.8 -26.9 22.1 9.7 8.6 55 137 A D S S+ 0 0 25 193,-0.1 -1,-0.2 2,-0.1 1051,-0.1 -0.847 101.9 43.8-144.6 176.2 25.6 8.8 7.2 56 138 A G S S- 0 0 33 -2,-0.3 2,-0.6 -3,-0.1 -3,-0.1 -0.302 97.8 -38.4 78.9-164.9 27.2 8.6 3.8 57 139 A I - 0 0 146 -2,-0.0 2,-0.2 4,-0.0 -2,-0.1 -0.880 56.1-176.2-106.5 121.2 26.9 11.0 0.9 58 140 A A - 0 0 5 -2,-0.6 3,-0.2 1,-0.1 -41,-0.2 -0.646 37.9-113.2-103.7 167.2 23.6 12.6 0.2 59 141 A D S S+ 0 0 39 -43,-0.4 2,-0.8 1,-0.3 -42,-0.2 0.967 112.0 39.9 -61.9 -53.6 22.7 14.9 -2.7 60 142 A I E S-b 17 0A 0 -44,-2.7 -42,-1.8 35,-0.1 2,-0.6 -0.854 78.4-167.4-101.5 99.4 22.2 17.9 -0.3 61 143 A M E -b 18 0A 19 -2,-0.8 35,-1.7 -3,-0.2 2,-0.5 -0.813 7.0-162.0 -87.1 121.2 24.8 17.8 2.5 62 144 A I E +bc 19 96A 0 -44,-2.9 -42,-3.7 -2,-0.6 -41,-0.5 -0.906 17.6 160.3-109.0 129.8 23.9 20.2 5.3 63 145 A S E - c 0 97A 26 33,-1.6 35,-2.2 -2,-0.5 2,-0.4 -0.973 34.3-131.7-142.4 156.4 26.5 21.5 7.8 64 146 A F E + c 0 98A 2 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.929 41.2 154.3-104.0 135.8 27.0 24.3 10.3 65 147 A G E - c 0 99A 9 33,-2.5 35,-3.3 -2,-0.4 36,-0.4 -0.915 32.6-133.8-149.5 170.8 30.4 26.0 10.2 66 148 A I - 0 0 32 -2,-0.3 33,-0.0 2,-0.3 959,-0.0 -0.965 64.7 -31.5-131.1 156.1 32.4 29.2 10.9 67 149 A K S S+ 0 0 90 -2,-0.3 8,-1.9 7,-0.1 2,-0.5 -0.051 128.2 19.5 39.0-125.0 34.9 31.2 8.8 68 150 A E + 0 0 84 6,-0.2 -2,-0.3 1,-0.1 4,-0.1 -0.584 68.2 158.5 -72.7 121.4 36.8 28.8 6.6 69 151 A H S S- 0 0 21 -2,-0.5 1006,-0.3 2,-0.2 -1,-0.1 0.192 70.1 -70.5-131.7 13.7 34.7 25.6 6.4 70 152 A G S S+ 0 0 12 1,-0.4 2,-0.2 1004,-0.3 1003,-0.1 0.689 102.3 70.3 108.5 23.3 36.1 24.0 3.2 71 153 A D S S- 0 0 20 1003,-0.1 -1,-0.4 1004,-0.1 -2,-0.2 -0.782 93.1 -85.5-141.8-168.2 35.0 26.0 0.1 72 154 A F S S+ 0 0 192 -2,-0.2 -4,-0.0 1,-0.2 0, 0.0 0.134 109.3 73.5 -90.8 22.9 35.7 29.3 -1.6 73 155 A Y - 0 0 138 -6,-0.1 -1,-0.2 11,-0.0 2,-0.1 -0.553 64.1-174.6-136.2 68.7 33.1 31.1 0.6 74 156 A P - 0 0 52 0, 0.0 -6,-0.2 0, 0.0 -7,-0.1 -0.389 27.2-118.5 -63.8 141.1 34.3 31.5 4.2 75 157 A F - 0 0 7 -8,-1.9 7,-0.1 23,-0.1 -9,-0.1 -0.043 15.0-135.7 -69.6-176.8 31.8 33.0 6.6 76 158 A D - 0 0 80 1,-0.6 -1,-0.1 5,-0.4 -10,-0.0 0.037 40.1 -95.9-140.2 28.0 32.3 36.3 8.4 77 159 A G S S- 0 0 7 4,-0.1 -1,-0.6 3,-0.0 24,-0.2 -0.307 83.8 -4.7 75.5-172.0 31.4 36.1 12.1 78 160 A P S S- 0 0 98 0, 0.0 24,-0.2 0, 0.0 3,-0.1 -0.130 118.7 -3.5 -55.8 147.7 27.9 37.3 13.4 79 161 A S S S+ 0 0 66 1,-0.2 2,-0.4 20,-0.1 -3,-0.3 0.020 99.4 72.7 59.6-170.5 25.5 38.9 10.9 80 162 A G S S+ 0 0 52 -5,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.594 102.5 27.9 70.9-125.1 26.4 39.6 7.2 81 163 A L + 0 0 66 -2,-0.4 -5,-0.4 1,-0.2 3,-0.1 -0.589 66.9 177.9 -69.7 119.0 26.5 36.3 5.3 82 164 A L - 0 0 25 -2,-0.4 17,-2.6 1,-0.4 2,-0.3 0.784 58.5 -33.7 -91.8 -39.0 24.1 33.9 7.0 83 165 A A E -D 98 0A 6 15,-0.3 -1,-0.4 -19,-0.0 2,-0.3 -0.953 52.6-155.8-172.3 163.5 24.3 30.8 4.9 84 166 A H E -D 97 0A 25 13,-2.3 13,-3.0 -2,-0.3 2,-0.3 -0.980 2.8-159.0-151.5 163.5 24.8 29.7 1.3 85 167 A A E -D 96 0A 15 -2,-0.3 11,-0.2 11,-0.2 10,-0.1 -0.990 19.8-120.6-141.4 149.5 24.1 26.7 -1.0 86 168 A F - 0 0 38 9,-2.3 8,-0.5 6,-0.4 3,-0.1 -0.675 32.4-112.9 -87.0 143.1 25.4 25.3 -4.2 87 169 A P - 0 0 60 0, 0.0 7,-0.7 0, 0.0 8,-0.2 -0.262 58.2 -62.6 -65.6 161.9 23.1 24.9 -7.3 88 170 A P S S+ 0 0 8 0, 0.0 6,-0.1 0, 0.0 37,-0.1 -0.098 87.5 93.2 -52.9 145.0 22.4 21.3 -8.5 89 171 A G S S- 0 0 26 4,-0.2 -3,-0.1 -3,-0.1 -79,-0.0 -0.849 72.1 -47.3 152.2 174.8 25.3 19.2 -9.6 90 172 A P S > S- 0 0 121 0, 0.0 3,-2.2 0, 0.0 2,-0.2 -0.083 100.3 -3.9 -67.8 167.3 27.9 16.6 -8.4 91 173 A N T 3 S+ 0 0 137 1,-0.3 4,-0.1 3,-0.1 -2,-0.1 -0.304 140.5 12.6 57.8-118.5 30.0 16.9 -5.3 92 174 A Y T > S+ 0 0 64 -2,-0.2 3,-1.6 2,-0.1 -6,-0.4 0.572 100.9 120.6 -66.3 -13.7 29.5 20.2 -3.5 93 175 A G T < S+ 0 0 9 -3,-2.2 -4,-0.2 1,-0.2 -32,-0.2 -0.333 79.2 11.4 -56.8 129.6 26.4 20.8 -5.7 94 176 A G T 3 S+ 0 0 0 -7,-0.7 -1,-0.2 -8,-0.5 30,-0.1 0.148 93.6 138.1 89.1 -18.0 23.2 21.1 -3.7 95 177 A D < - 0 0 14 -3,-1.6 -9,-2.3 -8,-0.2 2,-0.5 -0.282 39.8-153.2 -64.7 142.4 25.0 21.5 -0.4 96 178 A A E -cD 62 85A 0 -35,-1.7 -33,-1.6 -11,-0.2 2,-0.4 -0.981 7.5-167.5-122.1 120.9 23.9 24.1 2.1 97 179 A H E -cD 63 84A 10 -13,-3.0 -13,-2.3 -2,-0.5 2,-0.4 -0.912 5.0-158.2-108.8 136.3 26.2 25.6 4.7 98 180 A F E -cD 64 83A 0 -35,-2.2 -33,-2.5 -2,-0.4 2,-0.7 -0.943 20.9-121.9-117.5 134.9 25.0 27.6 7.6 99 181 A D E > -c 65 0A 0 -17,-2.6 3,-1.6 -2,-0.4 -33,-0.2 -0.634 17.8-162.7 -78.8 111.5 27.1 30.2 9.5 100 182 A D T 3 S+ 0 0 7 -35,-3.3 -34,-0.2 -2,-0.7 -1,-0.1 0.410 81.8 78.1 -83.2 5.5 27.2 29.1 13.2 101 183 A D T 3 S+ 0 0 24 -36,-0.4 -1,-0.3 -24,-0.2 2,-0.2 0.481 85.1 83.0 -80.4 -5.6 28.4 32.5 14.3 102 184 A E S < S- 0 0 8 -3,-1.6 2,-0.8 -24,-0.2 -25,-0.0 -0.547 92.2-115.3 -84.3 162.4 24.7 33.4 13.8 103 185 A T - 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