==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 25-OCT-09 3KEC . COMPND 2 MOLECULE: COLLAGENASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.-S.SHIEH,A.G.PAVLOVSKY,B.COLLINS,M.E.SCHNUTE . 334 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17102.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 50.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 10.5 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 . 20 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 20.4 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 0 107 0, 0.0 2,-0.3 0, 0.0 297,-0.1 0.000 360.0 360.0 360.0 158.6 48.7 11.2 8.5 2 105 A N - 0 0 75 294,-0.4 294,-1.9 303,-0.0 2,-0.3 -0.990 360.0-156.1-133.4 144.9 51.6 11.5 11.1 3 106 A V B -A 295 0A 59 -2,-0.3 292,-0.2 292,-0.3 3,-0.1 -0.852 36.0 -93.7-112.0 154.8 51.6 12.1 14.9 4 107 A F - 0 0 41 290,-2.1 2,-0.1 -2,-0.3 -1,-0.0 -0.346 49.0-101.9 -61.6 144.8 54.5 13.5 16.9 5 108 A P - 0 0 90 0, 0.0 170,-0.2 0, 0.0 -1,-0.1 -0.457 22.0-142.3 -65.6 144.9 56.8 10.9 18.4 6 109 A R S S+ 0 0 166 -2,-0.1 169,-2.8 168,-0.1 2,-0.4 0.851 80.3 60.9 -75.5 -39.1 56.3 10.2 22.1 7 110 A T S S- 0 0 54 167,-0.2 2,-1.5 155,-0.0 167,-0.1 -0.755 81.2-128.3 -96.7 134.7 59.9 9.8 23.2 8 111 A L + 0 0 49 -2,-0.4 2,-0.3 164,-0.3 164,-0.2 -0.674 67.2 117.5 -77.6 90.1 62.6 12.5 22.8 9 112 A K S S- 0 0 81 -2,-1.5 2,-0.4 78,-0.1 117,-0.1 -0.945 72.6 -91.9-145.1 164.1 65.2 10.3 20.9 10 113 A W - 0 0 17 115,-0.4 5,-0.0 -2,-0.3 -2,-0.0 -0.713 24.1-155.5 -79.4 131.9 66.8 10.3 17.5 11 114 A S S S+ 0 0 126 -2,-0.4 2,-0.3 2,-0.0 -1,-0.1 0.207 77.8 64.1 -91.2 13.5 64.9 8.2 15.0 12 115 A K - 0 0 98 1,-0.1 -2,-0.1 0, 0.0 3,-0.0 -0.984 69.4-148.8-134.6 147.2 68.1 7.6 13.0 13 116 A M S S+ 0 0 59 -2,-0.3 36,-3.0 1,-0.1 2,-0.7 0.632 82.5 70.5 -91.8 -15.6 71.2 5.7 14.0 14 117 A N E +b 49 0B 105 34,-0.2 2,-0.2 36,-0.0 36,-0.2 -0.882 68.2 177.5-110.8 103.2 73.8 7.8 12.0 15 118 A L E -b 50 0B 0 34,-2.9 36,-2.1 -2,-0.7 2,-0.3 -0.683 16.1-144.3-110.5 155.4 74.1 11.3 13.4 16 119 A T E -b 51 0B 31 -2,-0.2 44,-2.6 34,-0.2 2,-0.3 -0.860 10.4-170.2-119.4 151.7 76.3 14.3 12.6 17 120 A Y E -bc 52 60B 13 34,-2.4 36,-3.2 -2,-0.3 2,-0.3 -0.955 3.2-162.5-134.8 160.0 78.0 17.0 14.6 18 121 A R E -bc 53 61B 56 42,-1.9 44,-3.1 -2,-0.3 2,-0.9 -0.984 18.7-138.4-145.0 131.4 79.8 20.2 13.8 19 122 A I E - c 0 62B 13 34,-0.5 44,-0.2 -2,-0.3 3,-0.1 -0.797 20.8-176.2 -88.5 105.2 82.2 22.4 15.7 20 123 A V - 0 0 63 42,-3.2 2,-0.3 -2,-0.9 43,-0.2 0.829 66.4 -7.6 -76.0 -35.2 81.0 25.9 14.9 21 124 A N S S- 0 0 63 41,-0.7 2,-0.3 -3,-0.1 -1,-0.2 -0.950 70.1-123.5-154.3 175.1 83.8 27.7 16.9 22 125 A Y - 0 0 59 -2,-0.3 6,-0.1 -3,-0.1 42,-0.1 -0.880 17.8-113.3-129.3 153.3 86.7 26.9 19.3 23 126 A T > - 0 0 6 -2,-0.3 3,-0.5 4,-0.1 8,-0.1 -0.497 19.9-132.2 -78.1 149.9 87.9 27.8 22.7 24 127 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 76,-0.0 0.723 98.5 71.1 -66.5 -21.0 91.2 29.7 23.3 25 128 A D T 3 S+ 0 0 70 75,-0.1 2,-0.3 2,-0.0 78,-0.0 0.697 102.3 29.7 -77.0 -24.4 92.3 27.2 25.9 26 129 A M S < S- 0 0 15 -3,-0.5 79,-0.0 79,-0.1 78,-0.0 -0.893 84.9-101.2-134.0 158.5 93.0 24.2 23.7 27 130 A T > - 0 0 77 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.262 38.9-107.1 -69.8 166.4 94.2 23.6 20.1 28 131 A H H > S+ 0 0 116 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.936 122.2 52.4 -56.0 -47.9 91.7 22.6 17.4 29 132 A S H > S+ 0 0 55 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.889 107.8 49.4 -57.3 -45.7 93.1 19.1 17.5 30 133 A E H > S+ 0 0 84 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.871 113.6 46.5 -64.6 -40.7 92.6 18.7 21.2 31 134 A V H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.924 113.1 49.5 -65.1 -46.5 89.0 20.0 21.1 32 135 A E H X S+ 0 0 49 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.885 112.4 47.9 -59.3 -41.9 88.3 17.7 18.1 33 136 A K H X S+ 0 0 136 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.885 108.3 54.3 -68.6 -40.2 89.8 14.7 19.9 34 137 A A H X S+ 0 0 10 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.908 111.9 44.4 -57.9 -45.6 87.8 15.4 23.2 35 138 A F H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.856 111.4 52.7 -70.1 -38.3 84.5 15.4 21.2 36 139 A K H X S+ 0 0 148 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.924 112.7 45.3 -61.0 -46.1 85.4 12.3 19.3 37 140 A K H X S+ 0 0 108 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.883 110.6 54.4 -63.2 -41.3 86.2 10.5 22.5 38 141 A A H X S+ 0 0 0 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.900 110.3 45.8 -60.7 -43.5 83.0 11.8 24.2 39 142 A F H >X S+ 0 0 4 -4,-2.2 4,-2.2 1,-0.2 3,-0.7 0.844 105.9 60.3 -68.6 -35.0 80.8 10.5 21.3 40 143 A K H 3X S+ 0 0 114 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.819 94.0 65.8 -62.3 -32.8 82.7 7.1 21.4 41 144 A V H 3< S+ 0 0 13 -4,-1.4 4,-0.3 1,-0.2 -1,-0.2 0.895 111.4 34.4 -51.0 -43.0 81.5 6.7 25.0 42 145 A W H X< S+ 0 0 0 -4,-0.7 3,-0.8 -3,-0.7 4,-0.5 0.839 115.2 53.8 -87.3 -36.2 77.9 6.5 23.7 43 146 A S H 3< S+ 0 0 39 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.789 98.9 66.2 -69.4 -26.3 78.5 4.7 20.4 44 147 A D T 3< S+ 0 0 97 -4,-2.1 -1,-0.2 1,-0.2 122,-0.2 0.767 113.2 30.5 -62.9 -26.0 80.4 1.9 22.4 45 148 A V S < S+ 0 0 29 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 0.311 121.2 46.6-119.8 7.9 77.1 0.9 24.1 46 149 A T S S- 0 0 3 -3,-0.5 120,-0.3 -4,-0.5 118,-0.1 -0.849 84.8-108.5-136.9 170.8 74.4 1.8 21.5 47 150 A P S S+ 0 0 41 0, 0.0 -4,-0.1 0, 0.0 119,-0.1 0.437 79.6 122.5 -78.1 1.5 73.9 1.3 17.7 48 151 A L - 0 0 1 -6,-0.3 2,-0.3 -34,-0.1 -2,-0.2 -0.337 44.1-164.3 -69.8 143.1 74.5 5.0 17.2 49 152 A N E -b 14 0B 82 -36,-3.0 -34,-2.9 -2,-0.1 2,-0.4 -0.951 4.7-151.1-125.7 149.2 77.3 6.3 14.9 50 153 A F E -b 15 0B 37 -2,-0.3 2,-0.4 -36,-0.2 -34,-0.2 -0.976 10.8-176.5-131.8 129.5 78.7 9.8 14.8 51 154 A T E -b 16 0B 81 -36,-2.1 -34,-2.4 -2,-0.4 2,-0.4 -0.972 20.8-134.2-123.9 135.2 80.3 11.8 11.9 52 155 A R E -b 17 0B 65 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.769 18.1-160.0 -89.7 135.4 81.9 15.3 12.1 53 156 A L E -b 18 0B 54 -36,-3.2 -34,-0.5 -2,-0.4 5,-0.1 -0.865 15.1-156.4-111.2 147.9 81.0 17.9 9.4 54 157 A H S S+ 0 0 139 -2,-0.3 2,-0.3 -36,-0.1 -36,-0.1 0.445 78.7 12.8 -99.9 -4.6 83.1 21.0 8.6 55 158 A D S S+ 0 0 123 2,-0.0 -35,-0.0 0, 0.0 -1,-0.0 -0.919 97.5 37.8-155.3 176.0 80.1 23.0 7.1 56 159 A G S S- 0 0 36 -2,-0.3 2,-0.6 1,-0.1 -3,-0.1 -0.173 96.8 -39.0 75.1-165.5 76.3 23.0 6.9 57 160 A I - 0 0 142 4,-0.0 2,-0.2 -40,-0.0 -1,-0.1 -0.901 56.6-168.4-102.9 114.9 73.8 22.0 9.5 58 161 A A - 0 0 4 -2,-0.6 3,-0.2 1,-0.1 -41,-0.1 -0.627 34.1-115.7 -91.9 161.0 74.7 19.0 11.6 59 162 A D S S+ 0 0 31 1,-0.3 2,-0.8 -2,-0.2 -42,-0.2 0.964 112.3 40.8 -57.3 -50.1 72.2 17.3 13.9 60 163 A I E S-c 17 0B 0 -44,-2.6 -42,-1.9 35,-0.1 2,-0.6 -0.856 78.7-165.9-106.3 100.8 74.4 18.3 16.9 61 164 A M E -c 18 0B 30 -2,-0.8 35,-1.8 -3,-0.2 2,-0.4 -0.788 9.1-160.6 -90.6 121.2 75.7 21.8 16.5 62 165 A I E +cd 19 96B 0 -44,-3.1 -42,-3.2 -2,-0.6 -41,-0.7 -0.881 17.8 159.3-109.0 129.4 78.6 22.6 18.9 63 166 A S E - d 0 97B 24 33,-1.8 35,-2.3 -2,-0.4 2,-0.4 -0.958 32.7-131.9-143.4 162.3 79.7 26.0 20.0 64 167 A F E + d 0 98B 14 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.943 40.0 143.1-110.7 136.1 81.6 28.0 22.7 65 168 A G E - d 0 99B 19 33,-2.3 35,-2.5 -2,-0.4 36,-0.4 -0.958 34.0-128.2-159.6 173.8 80.1 31.2 24.1 66 169 A I - 0 0 83 -2,-0.3 33,-0.0 2,-0.3 -2,-0.0 -0.906 63.2 -25.3-131.0 158.3 79.8 33.3 27.3 67 170 A K S S+ 0 0 111 -2,-0.3 8,-2.3 7,-0.1 2,-0.5 -0.065 127.9 14.3 42.5-125.7 76.9 34.9 29.3 68 171 A E S S+ 0 0 139 6,-0.2 -2,-0.3 1,-0.1 4,-0.1 -0.662 70.9 160.3 -77.3 125.3 74.1 35.6 26.8 69 172 A H - 0 0 48 -2,-0.5 -1,-0.1 2,-0.2 3,-0.1 0.158 68.6 -65.4-138.4 18.9 74.8 33.6 23.6 70 173 A G S S+ 0 0 40 1,-0.4 2,-0.3 0, 0.0 -2,-0.1 0.752 104.7 61.3 106.5 33.0 71.5 33.4 21.8 71 174 A D S S- 0 0 6 0, 0.0 -1,-0.4 0, 0.0 -2,-0.2 -0.918 91.8 -86.6-161.1-174.4 69.0 31.3 23.8 72 175 A F S S+ 0 0 117 -2,-0.3 -4,-0.0 1,-0.2 168,-0.0 0.296 107.8 75.8 -87.2 11.3 67.2 31.2 27.2 73 176 A Y - 0 0 126 -6,-0.0 -1,-0.2 11,-0.0 11,-0.0 -0.530 66.9-178.4-123.5 64.6 70.1 29.4 29.0 74 177 A P - 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