==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-APR-07 2PJT . COMPND 2 MOLECULE: COLLAGENASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.XU,A.HUANG,F.LOVERING,J.I.LEVIN,L.MOSYAK . 646 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32286.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 53.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 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 . 1 0.2 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 . 43 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 20.3 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 1 3 1 3 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 4 5 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 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 79 A Y 0 0 104 0, 0.0 2,-0.4 0, 0.0 129,-0.1 0.000 360.0 360.0 360.0 161.6 2.5 28.4 155.7 2 80 A N - 0 0 59 126,-0.4 126,-3.1 135,-0.1 2,-0.3 -0.980 360.0-169.7-131.7 143.5 5.5 30.6 155.4 3 81 A V B -A 127 0A 54 -2,-0.4 124,-0.2 124,-0.3 5,-0.1 -0.905 28.1-108.6-126.6 155.8 5.9 34.4 154.7 4 82 A F - 0 0 39 122,-1.3 2,-0.3 -2,-0.3 3,-0.1 -0.416 24.4-124.6 -80.8 160.2 9.0 36.4 153.9 5 83 A P S S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.291 80.5 57.7 -96.3 43.9 10.4 38.9 156.4 6 84 A R S S+ 0 0 101 -2,-0.3 0, 0.0 82,-0.0 0, 0.0 0.821 110.5 5.1-122.1 -55.6 10.6 42.3 154.5 7 85 A T S S- 0 0 80 -3,-0.1 -3,-0.1 119,-0.0 0, 0.0 -0.498 75.3-172.9 121.4 16.1 8.1 44.2 152.9 8 86 A L - 0 0 90 79,-0.1 2,-0.3 -5,-0.1 -4,-0.2 0.748 51.1 -2.4 -44.3 -55.8 5.3 41.9 154.1 9 87 A K S S- 0 0 106 78,-0.1 2,-0.3 151,-0.1 117,-0.1 -0.901 74.5 -86.3-141.3 169.0 2.2 43.1 152.3 10 88 A W - 0 0 21 -2,-0.3 -2,-0.0 115,-0.2 5,-0.0 -0.548 27.8-142.3 -75.0 131.6 0.6 45.7 150.0 11 89 A S S S+ 0 0 132 -2,-0.3 2,-0.4 2,-0.0 -1,-0.1 0.485 83.7 64.6 -73.8 -0.0 -0.6 48.8 151.7 12 90 A K - 0 0 91 1,-0.1 -2,-0.1 0, 0.0 3,-0.1 -0.942 68.1-149.2-126.6 147.1 -3.6 48.9 149.4 13 91 A M S S+ 0 0 74 -2,-0.4 36,-1.6 1,-0.2 2,-0.8 0.884 86.3 57.4 -79.9 -41.6 -6.5 46.6 148.9 14 92 A N E S-b 49 0B 83 34,-0.2 36,-0.2 36,-0.1 2,-0.2 -0.821 73.4-177.1 -96.5 110.4 -7.2 47.0 145.2 15 93 A L E -b 50 0B 0 34,-2.5 36,-2.3 -2,-0.8 2,-0.3 -0.534 15.8-133.6-100.6 168.6 -4.1 46.2 143.2 16 94 A T E -b 51 0B 34 34,-0.2 44,-2.9 -2,-0.2 2,-0.3 -0.902 18.0-175.6-122.5 150.0 -3.5 46.4 139.5 17 95 A Y E -bc 52 60B 17 34,-2.5 36,-2.3 -2,-0.3 2,-0.3 -0.957 5.9-160.4-140.3 159.7 -1.9 43.9 137.1 18 96 A R E -bc 53 61B 60 42,-2.1 44,-3.3 -2,-0.3 2,-1.0 -0.999 18.8-137.0-143.0 143.4 -1.0 44.0 133.4 19 97 A I E - c 0 62B 15 34,-0.5 44,-0.2 -2,-0.3 42,-0.1 -0.801 21.6-175.5-101.5 94.0 -0.3 41.3 130.9 20 98 A V - 0 0 60 42,-2.7 2,-0.3 -2,-1.0 -1,-0.2 0.924 64.4 -11.8 -54.7 -51.6 2.8 42.6 129.0 21 99 A N - 0 0 64 41,-0.5 2,-0.3 44,-0.0 -1,-0.1 -0.893 68.8-118.7-144.9 175.1 3.0 39.8 126.4 22 100 A Y - 0 0 61 -2,-0.3 6,-0.1 41,-0.1 5,-0.0 -0.855 18.0-113.6-124.3 159.5 1.5 36.4 125.6 23 101 A T > - 0 0 7 -2,-0.3 3,-0.7 4,-0.1 8,-0.1 -0.515 21.9-131.0 -84.7 150.1 2.6 32.7 125.1 24 102 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 79,-0.1 0.895 99.0 62.9 -65.5 -43.5 2.3 31.0 121.7 25 103 A D T 3 S+ 0 0 78 2,-0.0 2,-0.3 80,-0.0 78,-0.0 0.538 102.9 47.2 -64.6 -12.2 0.6 27.8 123.0 26 104 A M S < S- 0 0 10 -3,-0.7 2,-0.1 79,-0.1 79,-0.1 -0.963 84.3-111.3-132.5 149.3 -2.6 29.5 124.3 27 105 A T > - 0 0 80 -2,-0.3 4,-2.3 1,-0.1 5,-0.3 -0.391 37.3-106.8 -74.3 156.7 -5.1 32.1 122.8 28 106 A H H > S+ 0 0 119 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.887 123.4 51.5 -48.8 -42.8 -5.2 35.5 124.4 29 107 A S H > S+ 0 0 74 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.907 106.9 51.2 -62.6 -46.2 -8.5 34.6 125.9 30 108 A E H > S+ 0 0 69 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.959 114.0 44.2 -55.7 -53.7 -7.2 31.3 127.4 31 109 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.920 112.1 51.8 -56.6 -50.6 -4.3 33.1 129.1 32 110 A E H X S+ 0 0 47 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.890 110.9 49.3 -55.5 -42.1 -6.4 36.0 130.3 33 111 A K H X S+ 0 0 148 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.895 108.9 52.3 -65.4 -41.8 -8.9 33.6 131.9 34 112 A A H X S+ 0 0 8 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.960 114.7 41.1 -59.4 -52.6 -6.0 31.7 133.6 35 113 A F H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.890 115.2 51.0 -62.5 -41.5 -4.6 34.8 135.2 36 114 A K H X S+ 0 0 144 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.922 114.7 43.7 -62.2 -43.1 -8.1 36.1 136.0 37 115 A K H X S+ 0 0 100 -4,-3.0 4,-1.1 1,-0.2 -2,-0.2 0.819 108.7 58.9 -71.7 -31.0 -8.9 32.8 137.6 38 116 A A H X S+ 0 0 0 -4,-2.4 4,-0.7 -5,-0.2 -1,-0.2 0.881 111.6 39.8 -64.9 -39.3 -5.5 32.8 139.3 39 117 A F H X S+ 0 0 4 -4,-2.0 4,-2.9 1,-0.2 3,-0.3 0.840 105.6 65.4 -77.1 -35.6 -6.3 36.1 141.1 40 118 A K H X S+ 0 0 116 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.813 95.7 62.2 -55.5 -31.5 -9.9 35.1 141.8 41 119 A V H X S+ 0 0 14 -4,-1.1 4,-0.5 2,-0.2 -1,-0.2 0.942 111.7 33.2 -58.5 -54.7 -8.4 32.4 144.0 42 120 A W H < S+ 0 0 0 -4,-0.7 3,-0.5 -3,-0.3 6,-0.3 0.814 116.2 56.7 -76.1 -31.9 -6.8 34.8 146.4 43 121 A S H >< S+ 0 0 23 -4,-2.9 3,-1.0 1,-0.2 -2,-0.2 0.823 97.8 62.5 -71.1 -29.4 -9.5 37.5 146.1 44 122 A D H 3< S+ 0 0 100 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.773 111.5 36.6 -66.2 -27.0 -12.3 35.1 147.2 45 123 A V T 3< S+ 0 0 30 -4,-0.5 -1,-0.2 -3,-0.5 -2,-0.2 0.180 119.7 49.9-110.1 12.9 -10.7 34.6 150.6 46 124 A T S < S- 0 0 9 -3,-1.0 116,-0.1 117,-0.3 112,-0.1 -0.971 83.7-113.4-147.7 161.1 -9.5 38.1 151.1 47 125 A P S S+ 0 0 53 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.431 82.3 116.1 -76.3 6.5 -10.6 41.7 150.9 48 126 A L - 0 0 0 -6,-0.3 2,-0.3 -34,-0.1 -34,-0.2 -0.263 44.6-171.5 -72.8 161.7 -8.2 42.1 148.0 49 127 A N E -b 14 0B 83 -36,-1.6 -34,-2.5 2,-0.0 2,-0.5 -0.983 11.1-144.3-152.9 148.8 -9.2 42.8 144.4 50 128 A F E -b 15 0B 34 -2,-0.3 2,-0.4 -36,-0.2 -34,-0.2 -0.971 7.7-166.0-126.2 129.3 -7.4 42.9 141.1 51 129 A T E -b 16 0B 62 -36,-2.3 -34,-2.5 -2,-0.5 2,-0.5 -0.924 16.0-138.4-113.3 135.9 -7.9 45.2 138.2 52 130 A R E -b 17 0B 113 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.818 16.4-166.9 -96.2 126.4 -6.4 44.6 134.7 53 131 A L E -b 18 0B 60 -36,-2.3 -34,-0.5 -2,-0.5 3,-0.1 -0.837 18.4-143.9-108.1 148.8 -4.9 47.5 132.8 54 132 A H S S- 0 0 147 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.828 77.3 -7.1 -82.4 -33.1 -4.1 47.2 129.1 55 133 A D S S+ 0 0 103 2,-0.1 -1,-0.1 -37,-0.0 2,-0.1 -0.880 96.4 54.8-150.1 179.9 -0.9 49.4 129.3 56 134 A G S S- 0 0 45 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.1 -0.346 97.4 -31.9 82.4-169.0 1.2 51.6 131.5 57 135 A I - 0 0 158 -2,-0.1 2,-0.3 4,-0.0 -2,-0.1 -0.632 58.2-176.6 -87.9 142.3 2.5 50.4 134.9 58 136 A A - 0 0 12 -2,-0.3 3,-0.3 1,-0.1 -41,-0.2 -0.912 37.9-116.1-130.6 156.3 0.5 47.9 137.1 59 137 A D S S+ 0 0 27 -2,-0.3 2,-0.7 1,-0.3 36,-0.3 0.946 112.3 39.4 -59.5 -44.1 1.4 46.7 140.6 60 138 A I E S-c 17 0B 0 -44,-2.9 -42,-2.1 34,-0.1 2,-0.8 -0.842 77.5-166.2-111.7 95.9 1.8 43.1 139.2 61 139 A M E -c 18 0B 34 -2,-0.7 35,-1.4 -3,-0.3 2,-0.4 -0.700 10.8-160.3 -81.4 112.0 3.4 43.2 135.7 62 140 A I E +cd 19 96B 0 -44,-3.3 -42,-2.7 -2,-0.8 -41,-0.5 -0.778 19.5 157.5 -97.9 138.9 2.9 39.8 134.1 63 141 A S E - d 0 97B 22 33,-1.7 35,-2.4 -2,-0.4 2,-0.5 -0.997 35.9-131.0-156.7 157.0 5.1 38.6 131.3 64 142 A F E + d 0 98B 11 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.934 39.2 154.6-111.1 129.0 6.4 35.5 129.4 65 143 A G E - d 0 99B 13 33,-2.2 35,-2.8 -2,-0.5 36,-0.4 -0.966 30.6-138.5-149.6 165.7 10.1 35.2 128.8 66 144 A I - 0 0 77 -2,-0.3 10,-0.0 33,-0.2 33,-0.0 -0.960 64.1 -25.7-128.8 147.5 12.9 32.8 128.2 67 145 A K S S+ 0 0 108 -2,-0.4 8,-0.6 7,-0.1 2,-0.3 -0.166 124.9 8.3 52.4-140.8 16.5 32.7 129.5 68 146 A E S S+ 0 0 88 6,-0.2 -2,-0.2 1,-0.1 0, 0.0 -0.555 70.4 160.3 -70.2 128.2 17.9 36.1 130.4 69 147 A H - 0 0 50 -2,-0.3 -1,-0.1 -4,-0.1 -2,-0.1 0.059 66.9 -61.1-142.5 28.6 15.0 38.6 130.3 70 148 A G S S+ 0 0 41 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.694 118.2 64.8 105.7 18.8 15.9 41.6 132.3 71 149 A D S S- 0 0 18 21,-0.0 -3,-0.0 0, 0.0 21,-0.0 0.271 96.6-112.2-149.5 6.8 16.5 40.8 136.0 72 150 A F S S+ 0 0 179 1,-0.1 -4,-0.1 0, 0.0 0, 0.0 0.810 90.2 108.0 59.5 34.8 19.5 38.6 136.0 73 151 A Y - 0 0 149 -6,-0.1 -1,-0.1 11,-0.0 11,-0.1 -0.560 59.6-166.4-136.2 62.9 17.4 35.5 137.1 74 152 A P - 0 0 67 0, 0.0 -6,-0.2 0, 0.0 2,-0.2 0.020 17.2-117.0 -52.8 153.0 17.5 33.6 133.7 75 153 A F - 0 0 8 -8,-0.6 -7,-0.1 1,-0.1 7,-0.1 -0.609 13.9-135.5 -92.4 158.0 15.3 30.7 132.8 76 154 A D - 0 0 73 1,-0.4 -1,-0.1 5,-0.2 -10,-0.0 -0.029 43.1-109.3-103.8 28.5 16.8 27.3 132.1 77 155 A G S S+ 0 0 4 3,-0.0 -1,-0.4 5,-0.0 24,-0.2 -0.345 80.9 8.6 77.0-162.6 14.8 26.3 129.0 78 156 A P S S- 0 0 65 0, 0.0 24,-0.2 0, 0.0 3,-0.1 -0.238 122.4 -13.9 -55.4 137.3 12.2 23.5 129.0 79 157 A S S S+ 0 0 27 1,-0.2 2,-0.5 20,-0.1 -3,-0.2 0.022 99.8 81.3 59.7-170.9 11.3 22.2 132.5 80 158 A G S S+ 0 0 60 -5,-0.1 2,-0.2 2,-0.0 -1,-0.2 -0.691 101.7 25.5 77.1-130.1 13.4 23.0 135.5 81 159 A L - 0 0 96 -2,-0.5 -5,-0.2 1,-0.2 3,-0.1 -0.448 66.3-179.0 -66.9 133.8 12.4 26.4 136.6 82 160 A L - 0 0 29 1,-0.4 17,-2.7 -2,-0.2 2,-0.3 0.801 58.4 -32.8-101.2 -41.6 8.8 27.2 135.5 83 161 A A E -E 98 0B 15 15,-0.2 -1,-0.4 -19,-0.0 2,-0.3 -0.940 49.7-151.3-176.8 154.5 8.2 30.8 136.7 84 162 A H E -E 97 0B 41 13,-1.9 13,-2.8 -2,-0.3 2,-0.3 -0.996 5.3-167.8-141.7 144.8 9.1 33.2 139.4 85 163 A A E -E 96 0B 14 -2,-0.3 11,-0.2 11,-0.3 10,-0.1 -0.914 21.1-124.4-128.3 155.7 7.4 36.2 141.1 86 164 A F - 0 0 38 9,-2.3 8,-1.3 6,-0.4 3,-0.1 -0.797 30.5-107.4-103.2 142.9 8.8 38.9 143.4 87 165 A P - 0 0 36 0, 0.0 7,-0.9 0, 0.0 37,-0.2 -0.135 59.6 -58.9 -61.7 163.6 7.3 39.7 146.9 88 166 A P S S+ 0 0 8 0, 0.0 37,-0.1 0, 0.0 6,-0.1 0.026 86.6 99.8 -42.1 144.9 5.3 42.9 147.5 89 167 A G S S- 0 0 16 4,-0.2 -3,-0.1 35,-0.1 -79,-0.0 -0.771 71.2 -59.3 150.6 165.4 7.1 46.1 146.8 90 168 A P S > S- 0 0 105 0, 0.0 3,-2.2 0, 0.0 2,-0.1 -0.180 99.3 -4.4 -70.4 164.8 7.5 48.9 144.2 91 169 A N T 3 S+ 0 0 143 1,-0.3 4,-0.4 3,-0.0 -30,-0.3 -0.335 142.3 14.9 56.7-121.0 8.7 48.3 140.6 92 170 A Y T > S+ 0 0 114 -2,-0.1 3,-1.0 2,-0.1 -6,-0.4 0.719 103.3 111.9 -55.5 -23.1 9.7 44.7 140.2 93 171 A G T < S+ 0 0 10 -3,-2.2 2,-0.7 1,-0.2 -32,-0.3 -0.244 85.8 10.6 -53.9 139.7 7.9 43.9 143.4 94 172 A G T 3 S+ 0 0 0 -8,-1.3 -1,-0.2 -7,-0.9 30,-0.2 -0.098 95.2 133.4 83.4 -39.6 4.8 41.8 142.7 95 173 A D < - 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