==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 14-APR-00 1EUB . COMPND 2 MOLECULE: COLLAGENASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.ZHANG,N.C.GONNELLA,J.KOEHN,N.PATHAK,V.GANU,R.MELTON, . 172 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9977.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 105 61.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 3.5 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 . 1 0.6 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 0.6 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 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 18.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 4.7 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 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 1 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 0 282 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 78.1 7.4 -22.1 -21.8 2 105 A N + 0 0 139 3,-0.0 0, 0.0 1,-0.0 0, 0.0 -0.982 360.0 117.7-150.3 136.2 5.8 -21.4 -18.4 3 106 A V S S+ 0 0 126 -2,-0.3 -1,-0.0 1,-0.1 0, 0.0 -0.019 70.3 29.6-156.5 -90.8 7.2 -20.6 -15.0 4 107 A F - 0 0 160 2,-0.1 2,-2.8 1,-0.1 -1,-0.1 -0.785 66.8-143.2 -92.4 114.2 6.7 -17.3 -13.1 5 108 A P + 0 0 105 0, 0.0 2,-0.3 0, 0.0 123,-0.2 -0.366 66.2 108.0 -72.2 67.5 3.3 -15.7 -14.0 6 109 A R + 0 0 116 -2,-2.8 121,-0.1 122,-0.1 -2,-0.1 -0.722 49.4 64.1-148.6 95.1 4.7 -12.1 -13.9 7 110 A T + 0 0 77 -2,-0.3 3,-0.1 119,-0.1 155,-0.0 0.054 37.8 174.5-171.6 -60.6 5.2 -10.2 -17.1 8 111 A L + 0 0 92 1,-0.2 2,-0.6 119,-0.1 154,-0.0 0.799 45.3 126.7 39.4 30.5 2.0 -9.4 -19.1 9 112 A K + 0 0 12 1,-0.1 -1,-0.2 2,-0.0 155,-0.1 -0.764 38.5 75.3-118.4 88.8 4.3 -7.4 -21.4 10 113 A W S S+ 0 0 138 -2,-0.6 157,-3.4 153,-0.1 2,-0.5 0.285 91.7 31.9-153.5 -65.6 3.9 -8.5 -25.0 11 114 A S S S+ 0 0 33 155,-0.3 155,-0.1 156,-0.2 152,-0.1 -0.407 97.9 81.9-105.0 60.0 0.8 -7.4 -26.9 12 115 A K + 0 0 67 -2,-0.5 -1,-0.2 153,-0.1 37,-0.1 -0.182 33.6 140.6-154.6 53.4 0.0 -4.0 -25.3 13 116 A M S S+ 0 0 73 -3,-0.2 36,-2.5 1,-0.1 2,-0.4 0.705 79.1 32.2 -73.0 -15.7 2.2 -1.3 -26.9 14 117 A N E +a 49 0A 82 34,-0.2 2,-0.3 -3,-0.0 36,-0.2 -0.998 68.4 151.4-142.8 140.4 -0.8 1.1 -26.7 15 118 A L E -a 50 0A 26 34,-2.8 36,-1.7 -2,-0.4 2,-0.2 -0.983 34.3-115.9-158.2 166.4 -3.7 1.5 -24.3 16 119 A T E +a 51 0A 21 -2,-0.3 43,-2.4 34,-0.3 44,-2.0 -0.698 29.7 177.5-107.6 162.9 -6.2 4.1 -22.9 17 120 A Y E -b 60 0B 7 34,-1.5 2,-0.4 41,-0.3 44,-0.3 -0.991 21.9-127.0-157.6 164.0 -6.5 5.3 -19.4 18 121 A R E -b 61 0B 122 42,-1.8 44,-2.0 -2,-0.3 2,-0.6 -0.908 15.6-138.4-119.2 146.5 -8.5 7.8 -17.2 19 122 A I E +b 62 0B 39 -2,-0.4 44,-0.1 42,-0.2 13,-0.0 -0.882 50.6 123.1-106.3 117.5 -7.1 10.4 -14.8 20 123 A V E +b 63 0B 55 42,-1.9 44,-0.6 -2,-0.6 -1,-0.1 0.003 15.1 153.6-162.8 42.2 -8.9 10.8 -11.4 21 124 A N - 0 0 0 42,-0.3 43,-2.9 1,-0.2 2,-0.3 0.919 60.6 -88.2 -40.6 -81.7 -6.5 10.3 -8.5 22 125 A Y - 0 0 93 41,-0.2 9,-0.2 5,-0.1 -1,-0.2 -0.983 16.4-115.3-178.9 178.5 -8.3 12.4 -6.0 23 126 A T + 0 0 95 -2,-0.3 5,-0.1 -3,-0.1 -2,-0.0 -0.280 65.7 121.3-130.6 51.1 -8.7 15.9 -4.6 24 127 A P S S- 0 0 45 0, 0.0 81,-0.1 0, 0.0 -1,-0.0 0.951 95.6 -14.9 -75.8 -86.7 -7.5 15.6 -1.0 25 128 A D S S+ 0 0 112 79,-0.5 2,-0.2 2,-0.1 81,-0.1 0.466 129.8 69.3 -99.6 -2.1 -4.6 18.0 -0.4 26 129 A M S S- 0 0 9 78,-0.1 2,-0.2 79,-0.1 79,-0.0 -0.668 74.0-132.9-110.5 168.8 -4.0 18.6 -4.2 27 130 A T >> - 0 0 84 -2,-0.2 4,-2.0 1,-0.1 3,-0.6 -0.730 40.0 -87.6-117.0 169.1 -6.2 20.5 -6.7 28 131 A H H 3> S+ 0 0 149 1,-0.3 4,-1.5 -2,-0.2 5,-0.1 0.848 130.7 56.1 -43.3 -33.0 -7.3 19.6 -10.2 29 132 A S H 3> S+ 0 0 78 2,-0.2 4,-1.6 3,-0.1 -1,-0.3 0.957 109.5 42.7 -68.0 -47.9 -4.0 21.2 -11.3 30 133 A E H X> S+ 0 0 64 -3,-0.6 4,-3.0 2,-0.2 3,-1.3 0.994 112.5 50.6 -63.1 -58.8 -1.9 18.9 -9.1 31 134 A V H 3X S+ 0 0 15 -4,-2.0 4,-2.9 1,-0.3 5,-0.5 0.901 105.9 60.4 -45.7 -36.9 -3.8 15.7 -10.0 32 135 A E H 3X>S+ 0 0 104 -4,-1.5 4,-2.2 -5,-0.5 5,-0.5 0.936 110.8 38.9 -57.8 -42.1 -3.2 16.9 -13.5 33 136 A K H <<>S+ 0 0 106 -4,-1.6 5,-1.4 -3,-1.3 4,-0.3 0.966 112.9 55.7 -72.5 -51.1 0.5 16.7 -12.8 34 137 A A H X5S+ 0 0 0 -4,-3.0 4,-1.0 3,-0.2 5,-0.3 0.948 119.6 31.3 -44.9 -60.1 0.2 13.5 -10.8 35 138 A F H X5S+ 0 0 9 -4,-2.9 4,-1.4 -5,-0.2 -1,-0.2 0.973 132.2 33.8 -67.5 -52.8 -1.5 11.6 -13.7 36 139 A K H >X5S+ 0 0 121 -4,-2.2 4,-2.7 -5,-0.5 3,-1.0 0.995 123.1 42.3 -66.1 -71.7 0.2 13.5 -16.6 37 140 A K H 3>> -E 57 0C 68 -2,-1.2 3,-2.9 4,-0.6 4,-2.0 -0.592 10.6-168.5 -82.3 89.1 -10.7 8.7 -24.4 54 157 A H T 34 S+ 0 0 159 -2,-1.6 -1,-0.2 1,-0.3 4,-0.1 0.809 74.3 91.4 -48.5 -24.4 -13.4 9.9 -21.9 55 158 A D T 34 S- 0 0 113 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.810 122.1 -87.4 -42.3 -28.0 -15.8 8.5 -24.6 56 159 A G T <4 S+ 0 0 56 -3,-2.9 2,-0.4 1,-0.0 -2,-0.2 0.584 96.1 119.0 124.5 26.3 -15.5 5.4 -22.4 57 160 A I B < +E 53 0C 83 -4,-2.0 -4,-0.6 -40,-0.1 2,-0.4 -0.575 35.8 130.2-119.9 70.9 -12.5 3.6 -23.9 58 161 A A + 0 0 27 -2,-0.4 -41,-0.3 1,-0.1 3,-0.1 -0.950 30.5 179.5-124.3 143.5 -10.0 3.4 -21.0 59 162 A D S S+ 0 0 27 -43,-2.4 2,-0.3 -2,-0.4 -42,-0.2 0.781 73.8 26.0-108.1 -43.8 -8.1 0.3 -19.6 60 163 A I E +b 17 0B 3 -44,-2.0 -42,-1.8 35,-0.1 2,-0.3 -0.857 66.9 177.5-119.9 156.6 -6.0 1.7 -16.7 61 164 A M E -bc 18 95B 40 33,-2.2 35,-1.4 -2,-0.3 2,-0.6 -0.998 29.1-124.4-156.9 153.0 -6.7 4.8 -14.5 62 165 A I E +bc 19 96B 0 -44,-2.0 -42,-1.9 -2,-0.3 2,-0.3 -0.858 51.9 131.9-101.2 116.7 -5.3 6.7 -11.5 63 166 A S E -bc 20 97B 11 33,-1.9 35,-1.5 -2,-0.6 2,-0.5 -0.979 62.2 -95.1-162.6 148.6 -7.8 7.1 -8.7 64 167 A F E - c 0 98B 54 -43,-2.9 2,-0.2 -44,-0.6 35,-0.1 -0.506 46.7-134.4 -67.8 117.1 -8.1 6.6 -4.9 65 168 A G E - c 0 99B 2 33,-0.8 35,-1.8 -2,-0.5 2,-0.4 -0.494 19.2-167.8 -75.4 142.8 -9.6 3.1 -4.4 66 169 A I - 0 0 62 -2,-0.2 33,-0.1 33,-0.1 -1,-0.0 -0.852 48.8 -83.5-134.5 98.9 -12.5 2.8 -1.9 67 170 A K S S+ 0 0 88 -2,-0.4 6,-0.1 1,-0.2 32,-0.0 0.533 79.6 133.8 1.1 93.8 -13.4 -0.9 -0.9 68 171 A E + 0 0 113 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.110 43.2 81.2-146.2 23.5 -15.7 -1.7 -3.9 69 172 A H S S- 0 0 58 3,-0.2 4,-0.1 0, 0.0 -2,-0.0 0.884 79.6-132.7 -96.9 -67.1 -14.5 -5.1 -5.1 70 173 A G S S+ 0 0 50 2,-0.4 3,-0.1 0, 0.0 -3,-0.0 0.435 84.0 62.5 124.6 6.0 -16.1 -7.8 -2.8 71 174 A D S S+ 0 0 120 1,-0.5 2,-0.3 0, 0.0 0, 0.0 0.563 102.3 11.0-121.5 -82.6 -13.1 -10.0 -2.0 72 175 A F S S- 0 0 178 1,-0.0 -1,-0.5 0, 0.0 -2,-0.4 -0.719 72.2-118.9-102.5 154.6 -10.2 -8.4 -0.1 73 176 A Y + 0 0 157 -2,-0.3 -1,-0.0 1,-0.2 -7,-0.0 -0.797 32.7 173.7 -96.6 105.7 -10.2 -5.0 1.6 74 177 A P + 0 0 14 0, 0.0 -1,-0.2 0, 0.0 25,-0.1 0.988 57.8 73.9 -73.2 -66.1 -7.5 -2.8 0.0 75 178 A F + 0 0 65 23,-0.1 24,-0.1 1,-0.1 7,-0.1 -0.191 55.5 140.6 -49.5 135.4 -8.1 0.5 1.7 76 179 A D > - 0 0 46 1,-0.6 3,-1.6 5,-0.3 23,-0.1 -0.248 62.4 -83.9 179.6 83.0 -6.8 0.4 5.3 77 180 A G T 3 S- 0 0 27 1,-0.3 -1,-0.6 25,-0.1 24,-0.2 0.030 92.5 -37.2 41.5-156.6 -5.0 3.3 7.0 78 181 A P T 3 S+ 0 0 113 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.366 98.8 142.6 -76.4 6.3 -1.3 3.5 6.2 79 182 A S S < S- 0 0 70 -3,-1.6 2,-2.9 1,-0.2 -3,-0.1 0.116 76.7 -69.8 -41.1 165.6 -1.3 -0.3 6.4 80 183 A G S S+ 0 0 79 1,-0.1 -1,-0.2 2,-0.1 2,-0.1 -0.306 114.0 80.9 -62.6 76.2 1.1 -2.0 3.9 81 184 A L + 0 0 36 -2,-2.9 -5,-0.3 -3,-0.3 18,-0.1 -0.338 33.6 146.8 179.8 89.3 -1.1 -1.1 0.9 82 185 A L S S+ 0 0 13 1,-0.2 17,-0.5 16,-0.1 2,-0.3 0.692 76.7 20.7-106.2 -21.7 -1.0 2.2 -0.8 83 186 A A - 0 0 4 15,-0.3 2,-0.5 -19,-0.1 15,-0.3 -0.788 58.7-177.5-152.6 108.9 -1.7 1.3 -4.5 84 187 A H B -D 97 0B 21 13,-2.7 13,-2.1 -2,-0.3 2,-0.3 -0.889 11.7-170.8-106.5 125.7 -3.4 -1.9 -5.8 85 188 A A - 0 0 29 -2,-0.5 11,-0.2 11,-0.2 8,-0.1 -0.864 9.9-142.1-115.5 150.6 -3.6 -2.3 -9.6 86 189 A F - 0 0 74 -2,-0.3 8,-2.0 6,-0.1 7,-0.1 -0.676 31.9 -87.7-107.5 165.3 -5.5 -5.0 -11.7 87 190 A P - 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