==== 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 1XUC . 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) . 17215.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 53.4 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 . 27 8.1 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 0.000 360.0 360.0 360.0 167.7 24.1 3.6 47.2 2 105 A N - 0 0 65 296,-0.5 296,-3.5 305,-0.0 2,-0.3 -0.981 360.0-158.2-148.3 132.8 21.3 6.2 47.3 3 106 A V B -A 297 0A 54 -2,-0.3 294,-0.2 294,-0.3 3,-0.1 -0.740 42.7 -86.4-104.1 156.1 21.2 9.9 48.0 4 107 A F - 0 0 37 292,-1.6 -1,-0.1 -2,-0.3 172,-0.0 -0.310 55.4 -93.6 -62.5 144.6 18.1 11.7 49.2 5 108 A P - 0 0 55 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 -0.076 28.7-117.7 -54.6 157.7 15.7 12.8 46.4 6 109 A R S S+ 0 0 183 -3,-0.1 170,-0.7 1,-0.0 2,-0.3 0.883 96.5 32.5 -67.0 -40.1 16.0 16.3 45.0 7 110 A T B S-B 175 0B 21 168,-0.1 2,-0.8 155,-0.1 -1,-0.0 -0.843 92.5-101.1-119.9 156.7 12.5 17.3 46.2 8 111 A L + 0 0 36 166,-1.5 166,-0.3 -2,-0.3 2,-0.3 -0.652 68.7 125.9 -77.2 110.4 10.4 16.4 49.2 9 112 A K - 0 0 88 -2,-0.8 2,-0.3 78,-0.1 117,-0.1 -0.979 64.8 -83.8-158.7 165.5 7.9 13.8 47.9 10 113 A W - 0 0 27 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.585 28.5-149.6 -77.0 137.6 6.5 10.3 48.5 11 114 A S S S+ 0 0 121 -2,-0.3 2,-0.3 -6,-0.0 -1,-0.1 0.394 78.3 60.7 -88.2 2.0 8.7 7.6 46.9 12 115 A K - 0 0 91 1,-0.1 -2,-0.1 2,-0.0 36,-0.0 -0.959 68.2-146.8-130.0 148.0 5.7 5.3 46.3 13 116 A M S S+ 0 0 78 -2,-0.3 36,-3.0 35,-0.1 2,-0.9 0.718 83.8 79.3 -84.8 -23.4 2.5 5.8 44.3 14 117 A N E +c 49 0C 105 34,-0.2 2,-0.3 36,-0.1 36,-0.2 -0.774 64.0 173.6 -90.0 106.8 0.3 3.8 46.7 15 118 A L E -c 50 0C 0 34,-3.0 36,-2.5 -2,-0.9 2,-0.3 -0.844 16.6-151.6-114.2 151.0 -0.5 6.0 49.7 16 119 A T E -c 51 0C 33 -2,-0.3 44,-2.2 34,-0.2 2,-0.3 -0.873 8.8-169.4-119.6 153.6 -2.9 5.3 52.5 17 120 A Y E -cd 52 60C 17 34,-2.0 36,-3.0 -2,-0.3 2,-0.4 -0.958 4.6-160.4-138.9 157.3 -4.9 7.6 54.7 18 121 A R E -cd 53 61C 61 42,-2.1 44,-3.2 -2,-0.3 2,-1.0 -0.991 17.1-142.0-142.9 130.7 -6.9 7.3 57.9 19 122 A I E - d 0 62C 12 34,-0.5 44,-0.2 -2,-0.4 42,-0.1 -0.821 22.7-175.2 -91.6 100.8 -9.6 9.5 59.4 20 123 A V - 0 0 58 42,-2.8 2,-0.3 -2,-1.0 43,-0.2 0.880 61.5 -9.3 -68.0 -41.7 -8.7 9.2 63.1 21 124 A N - 0 0 63 41,-0.7 2,-0.3 -3,-0.1 -1,-0.1 -0.910 68.7-117.3-149.2 176.3 -11.6 11.1 64.5 22 125 A Y - 0 0 50 -2,-0.3 6,-0.1 41,-0.1 5,-0.0 -0.926 19.3-116.4-127.7 149.5 -14.5 13.3 63.4 23 126 A T > - 0 0 5 -2,-0.3 3,-0.6 1,-0.1 8,-0.1 -0.400 23.0-128.6 -75.3 152.4 -15.7 16.9 63.8 24 127 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 76,-0.0 0.760 100.0 72.1 -72.0 -22.3 -19.0 17.5 65.6 25 128 A D T 3 S+ 0 0 76 75,-0.1 2,-0.3 2,-0.0 78,-0.0 0.682 99.5 33.2 -67.3 -25.6 -20.2 19.7 62.7 26 129 A M S < S- 0 0 13 -3,-0.6 79,-0.0 79,-0.1 2,-0.0 -0.934 83.5-102.1-134.8 157.1 -20.8 17.0 60.0 27 130 A T > - 0 0 77 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.315 38.9-110.0 -71.3 160.1 -22.0 13.4 59.8 28 131 A H H > S+ 0 0 113 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.916 120.3 53.8 -57.0 -42.5 -19.3 10.7 59.3 29 132 A S H > S+ 0 0 79 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.890 107.4 49.8 -59.3 -42.3 -20.6 10.2 55.8 30 133 A E H > S+ 0 0 69 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.889 112.5 47.2 -64.2 -41.5 -20.2 13.9 54.9 31 134 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.928 112.8 48.2 -67.2 -44.8 -16.7 14.0 56.2 32 135 A E H X S+ 0 0 53 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.907 112.0 49.8 -62.7 -41.3 -15.7 10.8 54.4 33 136 A K H X S+ 0 0 157 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.917 110.2 51.4 -63.4 -44.0 -17.2 12.0 51.2 34 137 A A H X S+ 0 0 10 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.922 113.6 42.7 -59.6 -47.6 -15.3 15.3 51.5 35 138 A F H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.882 111.9 54.0 -69.2 -38.1 -11.9 13.7 52.1 36 139 A K H X S+ 0 0 148 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.936 111.7 45.4 -61.2 -44.7 -12.5 11.1 49.3 37 140 A K H X S+ 0 0 111 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.878 110.3 55.1 -65.4 -38.4 -13.2 13.9 46.8 38 141 A A H X S+ 0 0 0 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.891 109.3 46.1 -63.7 -40.2 -10.2 15.9 48.1 39 142 A F H >X S+ 0 0 5 -4,-2.3 4,-2.4 1,-0.2 3,-0.8 0.881 107.1 58.9 -70.3 -34.5 -7.9 13.0 47.4 40 143 A K H 3X S+ 0 0 111 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.799 93.4 67.5 -64.0 -27.5 -9.4 12.4 44.0 41 144 A V H 3< S+ 0 0 15 -4,-1.3 -1,-0.2 -3,-0.2 4,-0.2 0.909 111.8 32.7 -57.5 -40.5 -8.5 16.0 43.1 42 145 A W H X< S+ 0 0 0 -4,-0.8 3,-0.9 -3,-0.8 6,-0.3 0.840 115.4 54.4 -87.2 -36.4 -4.8 14.9 43.2 43 146 A S H >< S+ 0 0 35 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.815 100.0 64.8 -68.4 -27.5 -5.1 11.3 42.0 44 147 A D T 3< S+ 0 0 94 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.718 111.0 34.9 -67.5 -20.5 -6.9 12.5 38.9 45 148 A V T < S+ 0 0 30 -3,-0.9 -1,-0.2 -4,-0.2 -2,-0.2 0.206 120.8 39.4-120.5 17.0 -3.8 14.4 37.7 46 149 A T S < S- 0 0 8 -3,-0.9 121,-0.3 -4,-0.2 118,-0.1 -0.821 87.9-101.2-147.6-177.6 -1.0 12.1 38.9 47 150 A P S S+ 0 0 40 0, 0.0 -4,-0.1 0, 0.0 2,-0.1 0.336 78.2 127.5 -94.4 7.3 -0.2 8.4 39.1 48 151 A L - 0 0 1 -6,-0.3 2,-0.4 -34,-0.1 -2,-0.2 -0.342 43.2-160.6 -68.7 143.8 -1.0 8.5 42.9 49 152 A N E -c 14 0C 87 -36,-3.0 -34,-3.0 -2,-0.1 2,-0.5 -0.974 2.8-156.7-123.5 137.5 -3.5 6.0 44.5 50 153 A F E -c 15 0C 36 -2,-0.4 2,-0.5 -36,-0.2 -34,-0.2 -0.964 8.9-174.2-121.1 120.2 -5.1 6.7 47.8 51 154 A T E -c 16 0C 83 -36,-2.5 -34,-2.0 -2,-0.5 2,-0.3 -0.944 20.9-130.5-115.0 131.1 -6.5 3.8 49.9 52 155 A R E -c 17 0C 69 -2,-0.5 2,-0.4 -36,-0.2 -34,-0.2 -0.589 17.0-162.6 -82.9 137.6 -8.4 4.4 53.1 53 156 A L E -c 18 0C 57 -36,-3.0 -34,-0.5 -2,-0.3 5,-0.1 -0.938 11.7-157.1-115.5 140.6 -7.5 2.5 56.3 54 157 A H S S+ 0 0 135 -2,-0.4 2,-0.3 -36,-0.1 -1,-0.1 0.633 77.4 0.8 -92.2 -14.1 -9.9 2.3 59.2 55 158 A D S S+ 0 0 119 2,-0.0 -1,-0.1 -37,-0.0 2,-0.0 -0.936 98.1 48.6-158.3 175.5 -7.2 1.7 61.8 56 159 A G S S- 0 0 39 -2,-0.3 2,-0.6 -3,-0.1 -3,-0.1 -0.254 96.3 -34.5 81.3-171.2 -3.5 1.3 62.2 57 160 A I - 0 0 157 4,-0.0 2,-0.2 -2,-0.0 -2,-0.0 -0.801 60.6-177.4 -96.0 118.3 -0.8 3.6 60.8 58 161 A A - 0 0 5 -2,-0.6 3,-0.2 1,-0.1 -41,-0.2 -0.671 38.3-114.3-106.2 163.3 -1.5 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 0.910 111.3 37.5 -63.5 -41.8 0.8 7.5 55.4 60 163 A I E S-d 17 0C 0 -44,-2.2 -42,-2.1 35,-0.1 2,-0.6 -0.904 76.8-166.0-116.7 101.9 -1.6 10.4 55.9 61 164 A M E -d 18 0C 36 -2,-0.6 35,-2.2 -3,-0.2 2,-0.5 -0.787 9.3-159.3 -89.2 122.4 -3.2 10.5 59.4 62 165 A I E +de 19 96C 0 -44,-3.2 -42,-2.8 -2,-0.6 -41,-0.7 -0.885 19.3 159.8-107.1 130.4 -6.2 12.9 59.5 63 166 A S E - e 0 97C 27 33,-2.2 35,-2.5 -2,-0.5 2,-0.4 -0.993 34.3-136.9-150.6 156.7 -7.5 14.3 62.7 64 167 A F E + e 0 98C 10 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.933 40.7 146.0-110.0 132.8 -9.6 17.1 64.2 65 168 A G E - e 0 99C 18 33,-2.3 35,-2.7 -2,-0.4 36,-0.3 -0.948 33.5-129.4-156.3 175.2 -8.3 18.7 67.4 66 169 A I - 0 0 81 -2,-0.3 33,-0.0 2,-0.3 10,-0.0 -0.914 62.1 -24.3-133.4 160.2 -8.0 22.0 69.3 67 170 A K S S+ 0 0 107 -2,-0.3 8,-2.4 7,-0.1 2,-0.5 -0.046 126.7 13.5 41.3-129.8 -5.3 24.1 71.0 68 171 A E S S+ 0 0 136 6,-0.3 -2,-0.3 1,-0.1 4,-0.1 -0.632 72.7 158.2 -74.2 123.8 -2.4 21.8 71.9 69 172 A H - 0 0 49 -2,-0.5 -1,-0.1 2,-0.2 3,-0.1 0.190 68.6 -61.6-135.4 18.2 -2.9 18.5 70.0 70 173 A G S S+ 0 0 52 1,-0.4 2,-0.3 0, 0.0 -2,-0.1 0.690 104.5 60.0 113.6 18.4 0.4 16.8 69.7 71 174 A D S S- 0 0 10 0, 0.0 -1,-0.4 0, 0.0 -2,-0.2 -0.880 91.1 -85.1-155.2-172.5 2.9 18.9 67.7 72 175 A F S S+ 0 0 119 -2,-0.3 -4,-0.0 1,-0.2 170,-0.0 0.270 108.1 73.3 -88.3 12.8 4.6 22.2 67.6 73 176 A Y - 0 0 133 -6,-0.1 -1,-0.2 11,-0.0 11,-0.0 -0.526 67.1-173.3-127.2 67.7 1.7 24.0 65.9 74 177 A P - 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