==== 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 1XUR . 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) . 17248.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 53.1 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 . 14 4.2 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 . 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 . 25 7.5 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 . 66 19.7 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 1 1 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 . 3 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 0 104 0, 0.0 2,-0.3 0, 0.0 299,-0.1 0.000 360.0 360.0 360.0 170.0 23.9 3.5 47.5 2 105 A N - 0 0 66 296,-0.5 296,-3.3 305,-0.0 2,-0.3 -0.979 360.0-155.8-149.6 133.3 21.2 6.1 47.5 3 106 A V B -A 297 0A 54 -2,-0.3 294,-0.2 294,-0.3 3,-0.1 -0.802 42.1 -89.1-105.2 149.3 21.1 9.9 48.0 4 107 A F - 0 0 36 292,-1.5 -1,-0.1 -2,-0.3 172,-0.0 -0.256 54.5 -95.3 -57.3 140.9 18.0 11.7 49.3 5 108 A P - 0 0 59 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 -0.036 27.6-117.6 -52.9 160.4 15.6 12.8 46.5 6 109 A R S S+ 0 0 184 -3,-0.1 170,-0.6 1,-0.0 2,-0.3 0.806 96.4 37.9 -73.0 -30.7 15.8 16.3 45.1 7 110 A T B S-B 175 0B 27 168,-0.1 2,-0.9 155,-0.1 -1,-0.0 -0.895 91.5-104.9-123.8 153.5 12.3 17.2 46.3 8 111 A L + 0 0 37 166,-1.4 166,-0.3 -2,-0.3 2,-0.3 -0.653 69.3 125.7 -76.5 107.6 10.3 16.4 49.4 9 112 A K - 0 0 86 -2,-0.9 2,-0.3 78,-0.1 117,-0.1 -0.984 65.4 -84.2-158.0 165.3 7.8 13.8 48.1 10 113 A W - 0 0 26 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.572 28.3-149.8 -76.0 136.7 6.5 10.3 48.6 11 114 A S S S+ 0 0 120 -2,-0.3 2,-0.3 -6,-0.0 -1,-0.1 0.375 77.8 62.0 -88.4 3.7 8.6 7.6 47.0 12 115 A K - 0 0 90 1,-0.1 -2,-0.1 2,-0.0 36,-0.0 -0.961 68.1-146.7-130.3 147.9 5.6 5.3 46.4 13 116 A M S S+ 0 0 79 -2,-0.3 36,-2.9 35,-0.1 2,-0.8 0.747 84.0 78.2 -83.8 -25.4 2.5 5.8 44.3 14 117 A N E +c 49 0C 104 34,-0.2 2,-0.3 36,-0.1 36,-0.2 -0.766 64.2 173.3 -89.4 107.9 0.3 3.8 46.7 15 118 A L E -c 50 0C 0 34,-3.0 36,-2.5 -2,-0.8 2,-0.3 -0.823 17.0-150.2-114.6 154.5 -0.6 6.0 49.7 16 119 A T E -c 51 0C 34 -2,-0.3 44,-2.3 34,-0.2 2,-0.3 -0.899 8.7-168.6-122.7 151.9 -3.0 5.3 52.6 17 120 A Y E -cd 52 60C 16 34,-1.9 36,-3.0 -2,-0.3 2,-0.4 -0.955 4.0-160.6-136.8 156.6 -5.0 7.6 54.8 18 121 A R E -cd 53 61C 60 42,-2.0 44,-3.3 -2,-0.3 2,-1.1 -0.987 17.0-142.7-142.3 129.3 -7.0 7.3 58.0 19 122 A I E - d 0 62C 12 34,-0.5 44,-0.2 -2,-0.4 42,-0.1 -0.798 22.3-175.7 -90.3 98.7 -9.8 9.4 59.5 20 123 A V - 0 0 57 42,-2.8 2,-0.3 -2,-1.1 43,-0.2 0.855 61.5 -10.6 -65.8 -40.2 -8.8 9.2 63.2 21 124 A N - 0 0 63 41,-0.6 2,-0.3 -3,-0.1 -1,-0.1 -0.934 67.8-116.4-152.6 175.3 -11.8 11.1 64.5 22 125 A Y - 0 0 50 -2,-0.3 6,-0.1 41,-0.1 5,-0.0 -0.931 18.9-118.2-127.8 147.4 -14.7 13.3 63.5 23 126 A T > - 0 0 5 -2,-0.3 3,-0.6 1,-0.1 8,-0.1 -0.369 23.6-127.8 -73.8 153.4 -15.9 16.9 63.9 24 127 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 76,-0.0 0.742 100.0 72.9 -73.6 -20.0 -19.2 17.5 65.7 25 128 A D T 3 S+ 0 0 75 75,-0.1 2,-0.3 2,-0.0 78,-0.0 0.699 99.3 32.6 -68.0 -26.5 -20.3 19.7 62.7 26 129 A M S < S- 0 0 14 -3,-0.6 79,-0.0 79,-0.1 2,-0.0 -0.920 83.5-102.3-133.7 158.4 -20.9 17.1 60.1 27 130 A T > - 0 0 77 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.320 39.0-109.5 -72.7 161.7 -22.1 13.4 59.8 28 131 A H H > S+ 0 0 114 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.915 121.1 53.3 -58.4 -41.8 -19.5 10.7 59.4 29 132 A S H > S+ 0 0 79 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.897 107.6 50.5 -59.7 -42.4 -20.7 10.2 55.8 30 133 A E H > S+ 0 0 66 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.904 112.6 46.0 -62.6 -44.2 -20.3 13.9 55.0 31 134 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.920 113.6 48.2 -66.1 -44.4 -16.8 14.0 56.3 32 135 A E H X S+ 0 0 53 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.906 111.7 50.4 -62.8 -41.7 -15.8 10.8 54.5 33 136 A K H X S+ 0 0 158 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.920 110.5 50.3 -62.5 -44.9 -17.3 12.1 51.3 34 137 A A H X S+ 0 0 9 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.916 113.2 43.9 -60.9 -46.7 -15.4 15.4 51.6 35 138 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.890 112.1 52.3 -68.9 -38.6 -12.0 13.7 52.2 36 139 A K H X S+ 0 0 146 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.930 111.4 47.4 -62.4 -43.4 -12.5 11.1 49.4 37 140 A K H X S+ 0 0 109 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.876 110.3 53.6 -64.6 -37.8 -13.3 13.9 46.9 38 141 A A H X S+ 0 0 0 -4,-1.9 4,-0.7 1,-0.2 3,-0.2 0.888 109.2 47.0 -65.9 -40.6 -10.3 15.9 48.1 39 142 A F H >X S+ 0 0 4 -4,-2.3 4,-2.5 1,-0.2 3,-0.8 0.879 106.8 58.7 -69.5 -34.0 -7.9 13.0 47.5 40 143 A K H 3X S+ 0 0 113 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.796 93.2 67.8 -64.5 -27.5 -9.5 12.4 44.1 41 144 A V H 3< S+ 0 0 17 -4,-1.1 -1,-0.2 -3,-0.2 4,-0.2 0.896 111.8 32.4 -57.8 -39.3 -8.5 16.0 43.2 42 145 A W H X< S+ 0 0 0 -3,-0.8 3,-1.1 -4,-0.7 6,-0.3 0.860 115.7 54.0 -88.1 -39.2 -4.9 14.9 43.3 43 146 A S H >< S+ 0 0 34 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.832 100.2 65.1 -65.4 -29.2 -5.1 11.3 42.1 44 147 A D T 3< S+ 0 0 92 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.734 110.6 35.1 -65.4 -21.9 -7.0 12.5 39.0 45 148 A V T < S+ 0 0 31 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.2 0.209 120.7 40.0-119.0 16.8 -3.9 14.4 37.8 46 149 A T S < S- 0 0 8 -3,-1.0 121,-0.3 -4,-0.2 118,-0.1 -0.817 88.2-100.8-147.1-177.9 -1.1 12.1 39.0 47 150 A P S S+ 0 0 42 0, 0.0 -4,-0.1 0, 0.0 2,-0.1 0.342 78.7 127.7 -93.1 6.3 -0.2 8.4 39.2 48 151 A L - 0 0 2 -6,-0.3 2,-0.4 -34,-0.1 -2,-0.2 -0.331 43.0-161.2 -68.0 143.0 -1.1 8.5 42.9 49 152 A N E -c 14 0C 86 -36,-2.9 -34,-3.0 -2,-0.1 2,-0.5 -0.973 2.3-157.5-123.7 138.0 -3.5 6.0 44.6 50 153 A F E -c 15 0C 36 -2,-0.4 2,-0.5 -36,-0.2 -34,-0.2 -0.966 8.7-174.4-121.7 120.1 -5.2 6.7 47.9 51 154 A T E -c 16 0C 84 -36,-2.5 -34,-1.9 -2,-0.5 2,-0.3 -0.948 21.4-129.2-115.6 131.5 -6.6 3.8 50.0 52 155 A R E -c 17 0C 69 -2,-0.5 2,-0.4 -36,-0.2 -34,-0.2 -0.582 17.5-164.2 -82.5 136.3 -8.5 4.3 53.2 53 156 A L E -c 18 0C 59 -36,-3.0 -34,-0.5 -2,-0.3 5,-0.1 -0.945 11.9-156.3-115.9 139.5 -7.6 2.5 56.4 54 157 A H S S- 0 0 131 -2,-0.4 2,-0.3 -36,-0.1 -1,-0.1 0.625 77.2 -2.5 -90.6 -13.8 -10.0 2.4 59.3 55 158 A D S S+ 0 0 115 2,-0.0 -1,-0.1 -37,-0.0 2,-0.1 -0.941 98.3 53.1-161.2 175.5 -7.4 1.8 61.9 56 159 A G S S- 0 0 40 -2,-0.3 2,-0.6 -3,-0.1 -3,-0.1 -0.345 96.3 -35.9 84.4-169.2 -3.6 1.3 62.3 57 160 A I - 0 0 156 -2,-0.1 2,-0.2 4,-0.0 -2,-0.0 -0.835 60.6-178.7-100.0 117.7 -0.9 3.6 60.9 58 161 A A - 0 0 6 -2,-0.6 3,-0.3 1,-0.1 -41,-0.2 -0.677 39.1-113.7-107.0 163.5 -1.6 5.2 57.5 59 162 A D S S+ 0 0 29 1,-0.3 2,-0.6 -2,-0.2 -42,-0.2 0.899 111.5 37.7 -62.7 -41.7 0.7 7.5 55.5 60 163 A I E S-d 17 0C 0 -44,-2.3 -42,-2.0 35,-0.1 2,-0.6 -0.889 77.0-165.5-117.0 99.5 -1.7 10.4 56.0 61 164 A M E -d 18 0C 34 -2,-0.6 35,-2.1 -3,-0.3 2,-0.4 -0.753 9.1-159.5 -86.6 122.1 -3.3 10.5 59.5 62 165 A I E +de 19 96C 0 -44,-3.3 -42,-2.8 -2,-0.6 -41,-0.6 -0.870 19.8 157.2-107.1 131.3 -6.3 12.8 59.6 63 166 A S E - e 0 97C 27 33,-2.0 35,-2.2 -2,-0.4 2,-0.5 -0.998 35.4-134.2-153.1 155.0 -7.7 14.3 62.8 64 167 A F E + e 0 98C 12 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.920 40.4 150.0-107.4 131.8 -9.7 17.1 64.3 65 168 A G E - e 0 99C 18 33,-2.3 35,-2.7 -2,-0.5 36,-0.3 -0.935 31.6-132.6-152.4 173.9 -8.4 18.8 67.4 66 169 A I - 0 0 82 -2,-0.3 33,-0.0 2,-0.3 10,-0.0 -0.922 61.9 -24.8-133.4 158.9 -8.2 22.0 69.4 67 170 A K S S+ 0 0 107 -2,-0.3 8,-2.4 7,-0.1 2,-0.4 -0.048 126.9 12.2 41.5-131.0 -5.5 24.1 71.1 68 171 A E S S+ 0 0 137 6,-0.3 -2,-0.3 1,-0.1 4,-0.1 -0.612 73.0 158.6 -73.0 127.2 -2.5 21.8 72.0 69 172 A H - 0 0 50 -2,-0.4 -1,-0.1 2,-0.2 3,-0.1 0.193 68.8 -60.3-138.6 18.7 -3.1 18.5 70.2 70 173 A G S S+ 0 0 53 1,-0.4 2,-0.3 0, 0.0 -2,-0.1 0.694 104.9 60.0 113.2 19.9 0.3 16.8 69.9 71 174 A D S S- 0 0 9 0, 0.0 -1,-0.4 0, 0.0 -2,-0.2 -0.913 90.9 -85.2-157.5-175.2 2.7 18.9 67.9 72 175 A F S S+ 0 0 118 -2,-0.3 -4,-0.0 1,-0.2 170,-0.0 0.256 108.8 72.5 -85.7 14.9 4.5 22.3 67.8 73 176 A Y - 0 0 134 -6,-0.1 -1,-0.2 11,-0.0 11,-0.0 -0.476 66.8-175.2-129.4 65.5 1.5 24.0 66.1 74 177 A P - 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