==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-NOV-09 3KRY . COMPND 2 MOLECULE: COLLAGENASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.KIEFER,J.M.WILLIAMS,D.P.BECKER . 654 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32917.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 53.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 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 . 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 . 48 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 20.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 4 0 4 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 4 6 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 1 4 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 . 5 0 0 4 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 53 0, 0.0 2,-0.3 0, 0.0 624,-0.1 0.000 360.0 360.0 360.0 -77.8 14.4 28.4 -5.8 2 105 A N - 0 0 73 622,-0.3 621,-0.5 621,-0.1 2,-0.1 -0.974 360.0-116.2-143.4 153.8 12.2 25.6 -7.0 3 106 A V - 0 0 109 -2,-0.3 619,-0.1 1,-0.1 3,-0.1 -0.377 19.6-118.8 -91.8 155.2 8.5 24.5 -6.8 4 107 A F - 0 0 79 617,-0.2 -1,-0.1 -2,-0.1 4,-0.1 -0.607 46.1 -96.7 -76.4 150.1 6.6 21.6 -5.2 5 108 A P - 0 0 55 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.313 32.0-111.9 -64.6 159.5 4.8 19.4 -7.7 6 109 A R S S+ 0 0 146 494,-0.1 495,-2.0 2,-0.1 2,-0.3 0.583 99.0 38.3 -70.8 -10.0 1.1 20.1 -8.2 7 110 A T B S-A 500 0A 21 493,-0.2 2,-1.0 155,-0.1 119,-0.0 -0.878 97.4 -93.2-132.5 164.3 0.1 16.8 -6.5 8 111 A L S S+ 0 0 64 491,-2.4 491,-0.3 -2,-0.3 2,-0.3 -0.743 74.8 131.8 -77.5 104.8 1.3 14.7 -3.5 9 112 A K - 0 0 54 -2,-1.0 2,-0.2 78,-0.1 117,-0.1 -0.960 62.5 -93.6-150.7 161.0 3.7 12.4 -5.4 10 113 A W - 0 0 19 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.594 21.3-155.6 -78.0 143.9 7.2 11.1 -5.2 11 114 A S S S+ 0 0 112 -2,-0.2 2,-0.3 -6,-0.0 -1,-0.1 0.563 78.5 66.3 -92.6 -13.5 9.8 13.1 -7.1 12 115 A K - 0 0 92 1,-0.1 -2,-0.1 2,-0.1 36,-0.0 -0.834 69.5-150.1-110.3 148.3 12.1 10.1 -7.3 13 116 A M S S+ 0 0 56 -2,-0.3 36,-2.5 35,-0.1 2,-0.6 0.652 80.8 72.7 -92.0 -20.3 11.4 6.9 -9.3 14 117 A N E +b 49 0B 110 34,-0.2 2,-0.3 36,-0.1 36,-0.2 -0.884 65.8 176.6-100.5 119.8 13.3 4.5 -7.1 15 118 A L E -b 50 0B 0 34,-2.9 36,-1.9 -2,-0.6 2,-0.3 -0.861 17.4-144.7-124.3 155.5 11.6 3.9 -3.8 16 119 A T E -b 51 0B 36 -2,-0.3 44,-2.5 34,-0.2 43,-0.5 -0.921 10.7-167.1-121.2 146.2 12.3 1.6 -0.9 17 120 A Y E -bc 52 60B 15 34,-2.2 36,-3.2 -2,-0.3 2,-0.4 -0.933 4.0-159.7-127.4 157.1 10.0 -0.3 1.4 18 121 A R E -bc 53 61B 61 42,-1.9 44,-3.4 -2,-0.3 2,-1.0 -0.993 15.8-143.4-137.0 130.4 10.6 -2.1 4.7 19 122 A I E - c 0 62B 11 34,-0.5 44,-0.2 -2,-0.4 3,-0.1 -0.834 21.1-173.9 -89.5 100.5 8.4 -4.8 6.3 20 123 A V - 0 0 58 42,-3.1 2,-0.3 -2,-1.0 43,-0.2 0.849 62.3 -11.0 -70.0 -37.7 8.8 -3.8 10.0 21 124 A N S S- 0 0 64 41,-0.6 2,-0.3 -3,-0.1 -1,-0.1 -0.933 70.2-114.8-157.7 175.2 6.9 -6.8 11.4 22 125 A Y - 0 0 54 -2,-0.3 6,-0.1 41,-0.1 5,-0.0 -0.917 18.5-116.3-131.1 142.0 4.7 -9.7 10.4 23 126 A T > - 0 0 5 -2,-0.3 3,-0.6 1,-0.1 8,-0.1 -0.390 22.3-131.6 -67.0 148.3 1.1 -10.9 10.8 24 127 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 79,-0.1 0.734 97.5 72.2 -65.0 -23.5 0.6 -14.3 12.6 25 128 A D T 3 S+ 0 0 70 75,-0.1 2,-0.3 2,-0.0 78,-0.0 0.672 99.9 31.7 -76.8 -22.4 -1.7 -15.5 9.9 26 129 A M S < S- 0 0 13 -3,-0.6 2,-0.0 79,-0.1 79,-0.0 -0.884 85.6 -98.9-133.0 158.8 0.8 -16.1 7.1 27 130 A T > - 0 0 79 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.319 39.5-107.9 -70.0 161.7 4.4 -17.2 6.8 28 131 A H H > S+ 0 0 115 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.877 122.8 53.1 -56.7 -39.1 7.1 -14.6 6.2 29 132 A S H > S+ 0 0 61 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.907 106.4 51.0 -64.0 -45.6 7.4 -15.9 2.6 30 133 A E H > S+ 0 0 68 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.897 113.2 45.1 -59.3 -44.4 3.7 -15.5 2.0 31 134 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.936 113.0 49.8 -66.2 -47.1 3.7 -11.9 3.2 32 135 A E H X S+ 0 0 32 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.897 113.0 47.3 -59.2 -40.3 6.8 -10.9 1.3 33 136 A K H X S+ 0 0 113 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.873 110.6 51.5 -71.4 -38.4 5.4 -12.4 -1.9 34 137 A A H X S+ 0 0 11 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.916 113.8 43.9 -62.3 -45.7 2.0 -10.6 -1.4 35 138 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.898 112.0 52.8 -67.9 -40.9 3.8 -7.3 -0.9 36 139 A K H X S+ 0 0 141 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.908 112.2 45.8 -59.3 -42.3 6.2 -7.9 -3.8 37 140 A K H X S+ 0 0 105 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.871 110.1 54.8 -68.9 -36.4 3.2 -8.7 -6.1 38 141 A A H X S+ 0 0 0 -4,-2.0 4,-0.6 1,-0.2 3,-0.2 0.901 109.6 45.3 -65.7 -43.2 1.3 -5.6 -4.8 39 142 A F H >X S+ 0 0 5 -4,-2.4 4,-2.1 1,-0.2 3,-0.8 0.853 106.8 61.5 -65.5 -34.9 4.2 -3.2 -5.7 40 143 A K H 3X S+ 0 0 108 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.832 91.4 67.1 -61.6 -32.8 4.5 -5.0 -9.1 41 144 A V H 3< S+ 0 0 15 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.875 112.5 32.1 -50.5 -39.9 0.9 -3.9 -9.9 42 145 A W H X< S+ 0 0 0 -3,-0.8 3,-0.7 -4,-0.6 6,-0.3 0.780 115.5 55.3 -95.1 -34.5 2.1 -0.3 -10.0 43 146 A S H >< S+ 0 0 29 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.759 100.2 63.2 -70.8 -25.6 5.6 -0.8 -11.3 44 147 A D T 3< S+ 0 0 104 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.647 113.5 32.6 -70.9 -17.1 4.3 -2.6 -14.3 45 148 A V T < S+ 0 0 46 -3,-0.7 -1,-0.2 -5,-0.1 -2,-0.2 0.206 121.4 42.6-126.1 12.3 2.4 0.5 -15.5 46 149 A T S < S- 0 0 18 -3,-0.5 118,-0.1 -4,-0.2 114,-0.1 -0.897 86.2-104.9-141.9 173.5 4.7 3.3 -14.4 47 150 A P S S+ 0 0 66 0, 0.0 -4,-0.1 0, 0.0 2,-0.1 0.393 80.5 121.6 -77.0 2.8 8.5 4.1 -14.3 48 151 A L - 0 0 1 -6,-0.3 2,-0.3 -34,-0.1 -2,-0.2 -0.368 42.3-169.3 -71.8 143.9 8.4 3.4 -10.5 49 152 A N E -b 14 0B 91 -36,-2.5 -34,-2.9 -2,-0.1 2,-0.4 -0.987 6.7-149.9-135.2 149.2 10.7 0.7 -9.0 50 153 A F E -b 15 0B 35 -2,-0.3 2,-0.4 -36,-0.2 -34,-0.2 -0.965 10.0-175.3-129.1 129.1 10.8 -0.8 -5.5 51 154 A T E -b 16 0B 86 -36,-1.9 -34,-2.2 -2,-0.4 2,-0.3 -0.967 24.1-129.3-119.4 136.5 13.6 -2.2 -3.5 52 155 A R E -b 17 0B 68 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.661 16.3-159.9 -84.0 140.3 13.1 -3.9 -0.1 53 156 A L E -b 18 0B 62 -36,-3.2 -34,-0.5 -2,-0.3 5,-0.1 -0.959 9.5-155.6-115.4 139.9 15.2 -2.9 2.9 54 157 A H S S+ 0 0 129 -2,-0.4 2,-0.3 -36,-0.1 -1,-0.1 0.667 75.0 4.4 -89.4 -18.1 15.5 -5.2 5.9 55 158 A D S S+ 0 0 116 2,-0.1 -1,-0.1 -37,-0.0 2,-0.0 -0.933 99.9 34.8-154.1 174.7 16.2 -2.5 8.4 56 159 A G S S- 0 0 36 -2,-0.3 2,-0.6 -3,-0.1 -3,-0.1 -0.328 99.7 -20.6 75.3-155.1 16.5 1.3 8.9 57 160 A I + 0 0 149 -2,-0.0 2,-0.2 4,-0.0 -2,-0.1 -0.801 58.5 179.8 -99.8 115.5 14.4 3.9 7.2 58 161 A A - 0 0 6 -2,-0.6 3,-0.2 1,-0.1 -41,-0.2 -0.677 38.8-118.0-100.4 162.7 12.6 3.0 4.0 59 162 A D S S+ 0 0 31 -43,-0.5 2,-0.7 1,-0.3 -42,-0.2 0.946 111.1 38.3 -58.0 -50.5 10.3 5.4 2.0 60 163 A I E S-c 17 0B 0 -44,-2.5 -42,-1.9 34,-0.1 2,-0.5 -0.889 78.7-166.0-110.9 99.5 7.4 3.1 2.6 61 164 A M E -c 18 0B 33 -2,-0.7 35,-2.0 -3,-0.2 2,-0.4 -0.796 8.3-159.6 -89.3 125.2 7.5 1.6 6.1 62 165 A I E +cd 19 96B 0 -44,-3.4 -42,-3.1 -2,-0.5 -41,-0.6 -0.907 18.6 161.4-113.3 129.1 5.0 -1.4 6.4 63 166 A S E - d 0 97B 26 33,-2.1 35,-1.9 -2,-0.4 2,-0.5 -0.971 32.9-135.7-145.8 156.2 3.7 -2.6 9.7 64 167 A F E + d 0 98B 9 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.959 39.9 149.2-111.4 133.6 0.9 -4.7 11.3 65 168 A G E - d 0 99B 17 33,-2.5 35,-2.6 -2,-0.5 36,-0.4 -0.936 31.6-135.3-154.4 172.3 -0.7 -3.3 14.4 66 169 A I - 0 0 78 -2,-0.3 33,-0.0 2,-0.3 10,-0.0 -0.920 63.1 -22.2-133.7 159.2 -3.9 -3.2 16.4 67 170 A K S S+ 0 0 110 -2,-0.3 8,-2.5 7,-0.1 2,-0.4 -0.079 127.6 12.8 43.9-131.8 -5.9 -0.5 18.2 68 171 A E S S+ 0 0 95 6,-0.2 -2,-0.3 1,-0.1 4,-0.1 -0.608 70.3 160.4 -72.0 123.8 -3.5 2.4 19.0 69 172 A H - 0 0 46 -2,-0.4 -1,-0.1 2,-0.2 3,-0.1 0.183 68.8 -67.1-135.6 19.0 -0.4 1.9 17.1 70 173 A G S S+ 0 0 34 1,-0.4 2,-0.3 0, 0.0 -2,-0.1 0.761 104.3 64.5 104.9 30.8 1.3 5.3 17.0 71 174 A D S S- 0 0 4 0, 0.0 -1,-0.4 0, 0.0 -2,-0.2 -0.896 91.0 -88.6-157.8-173.2 -0.8 7.7 14.9 72 175 A F S S+ 0 0 87 -2,-0.3 -4,-0.0 1,-0.2 495,-0.0 0.188 107.7 75.0 -92.7 17.3 -4.2 9.4 14.8 73 176 A Y - 0 0 136 -6,-0.1 -1,-0.2 11,-0.0 11,-0.0 -0.515 68.3-174.9-125.4 63.5 -5.9 6.4 12.9 74 177 A P - 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