==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-AUG-00 1FLS . COMPND 2 MOLECULE: COLLAGENASE-3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.J.MOY,P.K.CHANDA,J.M.CHEN,S.COSMI,W.EDRIS,J.I.LEVIN, . 158 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9065.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 85 53.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.5 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 . 1 0.6 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 . 13 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 PARALLEL BRIDGES PER LADDER . 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 7 A T 0 0 146 0, 0.0 2,-0.4 0, 0.0 120,-0.1 0.000 360.0 360.0 360.0 -58.3 -14.1 -13.6 -8.3 2 8 A L + 0 0 109 118,-0.3 2,-0.3 0, 0.0 154,-0.0 -0.689 360.0 144.7 -86.3 133.3 -14.0 -9.8 -8.5 3 9 A K - 0 0 114 -2,-0.4 117,-0.1 79,-0.1 2,-0.1 -0.989 52.3 -82.4-160.0 163.5 -13.5 -8.4 -12.0 4 10 A W - 0 0 25 -2,-0.3 5,-0.0 1,-0.1 79,-0.0 -0.422 28.0-141.1 -71.9 147.6 -14.6 -5.5 -14.2 5 11 A S S S+ 0 0 124 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.380 84.6 46.3 -90.0 6.3 -18.0 -5.8 -15.9 6 12 A K S S- 0 0 95 2,-0.1 -2,-0.1 1,-0.1 36,-0.0 -0.990 70.8-137.7-145.4 153.5 -16.6 -4.2 -19.1 7 13 A M S S+ 0 0 86 -2,-0.3 36,-3.0 35,-0.1 2,-0.5 0.475 82.6 89.5 -90.5 -0.3 -13.5 -4.5 -21.3 8 14 A N E +a 43 0A 108 34,-0.2 2,-0.3 36,-0.0 36,-0.2 -0.834 52.7 166.1 -99.6 129.7 -13.2 -0.7 -21.6 9 15 A L E -a 44 0A 2 34,-2.4 36,-1.9 -2,-0.5 2,-0.3 -0.987 16.1-162.1-140.9 150.9 -11.2 1.2 -19.0 10 16 A T E -a 45 0A 36 -2,-0.3 44,-2.2 34,-0.2 2,-0.3 -0.931 6.3-172.0-131.2 156.1 -9.7 4.7 -18.7 11 17 A Y E -ab 46 54A 16 34,-1.7 36,-1.9 -2,-0.3 2,-0.3 -0.973 6.9-161.4-145.7 160.0 -7.0 6.3 -16.5 12 18 A R E - b 0 55A 69 42,-1.7 44,-2.3 -2,-0.3 2,-0.7 -0.985 17.8-134.2-146.1 133.4 -5.5 9.7 -15.7 13 19 A I E - b 0 56A 15 -2,-0.3 44,-0.2 34,-0.2 3,-0.1 -0.760 12.0-167.3 -89.8 117.2 -2.2 10.8 -14.1 14 20 A V S S- 0 0 78 42,-3.0 2,-0.3 -2,-0.7 43,-0.2 0.906 71.9 -11.7 -70.0 -39.6 -2.7 13.5 -11.5 15 21 A N - 0 0 46 41,-0.6 -1,-0.2 1,-0.0 41,-0.0 -0.981 49.0-138.0-155.5 164.6 1.0 14.3 -11.2 16 22 A Y > - 0 0 54 -2,-0.3 4,-0.5 -3,-0.1 9,-0.1 0.314 45.5-130.5-109.2 5.9 4.4 12.9 -12.3 17 23 A T T >4 - 0 0 9 1,-0.2 3,-1.2 2,-0.1 8,-0.1 0.635 19.7-105.9 50.4 136.8 6.2 13.6 -9.0 18 24 A P T 34 S+ 0 0 122 0, 0.0 -1,-0.2 0, 0.0 4,-0.0 0.617 105.5 89.3 -69.5 -7.8 9.6 15.5 -9.3 19 25 A D T 34 S+ 0 0 67 1,-0.1 2,-0.3 77,-0.1 -2,-0.1 0.873 102.9 12.8 -58.3 -33.0 11.6 12.3 -8.6 20 26 A M S << S- 0 0 15 -3,-1.2 -1,-0.1 -4,-0.5 79,-0.1 -0.947 91.0 -93.6-140.3 161.6 11.6 11.6 -12.3 21 27 A T > - 0 0 76 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.319 38.6-112.5 -71.5 158.7 10.8 13.5 -15.6 22 28 A H H > S+ 0 0 111 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.914 117.2 56.3 -60.0 -40.7 7.3 13.2 -17.0 23 29 A S H > S+ 0 0 82 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.913 108.7 46.6 -60.1 -40.2 8.6 11.3 -20.0 24 30 A E H > S+ 0 0 76 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.913 114.8 46.6 -69.5 -40.0 10.1 8.7 -17.8 25 31 A V H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 5,-0.2 0.917 109.7 53.8 -69.1 -42.0 7.0 8.3 -15.6 26 32 A E H X S+ 0 0 43 -4,-2.9 4,-2.1 1,-0.2 5,-0.2 0.954 109.2 47.1 -60.0 -48.8 4.6 8.1 -18.7 27 33 A K H X S+ 0 0 105 -4,-1.8 4,-2.6 -5,-0.2 5,-0.2 0.877 105.7 61.7 -62.8 -33.0 6.5 5.2 -20.3 28 34 A A H X S+ 0 0 4 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.963 108.3 40.8 -59.3 -49.4 6.6 3.4 -16.9 29 35 A F H X S+ 0 0 1 -4,-1.8 4,-2.4 1,-0.2 5,-0.3 0.920 112.6 55.8 -66.2 -40.0 2.8 3.2 -16.7 30 36 A K H X S+ 0 0 116 -4,-2.1 4,-2.9 -5,-0.2 5,-0.2 0.932 104.8 52.6 -60.0 -41.6 2.5 2.4 -20.5 31 37 A K H X S+ 0 0 108 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.932 108.0 52.3 -60.0 -41.5 4.9 -0.6 -20.0 32 38 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.2 5,-0.3 0.963 112.1 43.7 -60.1 -50.0 2.6 -1.8 -17.2 33 39 A F H X S+ 0 0 13 -4,-2.4 4,-4.0 1,-0.2 5,-0.3 0.922 113.1 53.7 -63.0 -39.9 -0.5 -1.6 -19.4 34 40 A K H X S+ 0 0 130 -4,-2.9 4,-1.5 -5,-0.3 -2,-0.2 0.964 109.8 46.4 -60.0 -50.0 1.4 -3.2 -22.3 35 41 A V H X S+ 0 0 21 -4,-2.9 4,-0.5 -5,-0.2 110,-0.2 0.918 121.2 38.2 -60.0 -42.0 2.5 -6.2 -20.1 36 42 A W H >< S+ 0 0 2 -4,-2.3 3,-0.8 -5,-0.3 4,-0.2 0.897 115.1 52.3 -77.9 -38.7 -1.1 -6.7 -18.8 37 43 A S H >< S+ 0 0 40 -4,-4.0 3,-0.6 -5,-0.3 -2,-0.2 0.730 93.8 76.2 -69.9 -17.8 -2.8 -5.8 -22.1 38 44 A D H 3< S+ 0 0 82 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.901 112.6 20.4 -60.0 -40.0 -0.6 -8.4 -23.8 39 45 A V T << S+ 0 0 51 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.136 119.2 69.5-116.6 20.9 -2.7 -11.3 -22.3 40 46 A T S < S- 0 0 5 -3,-0.6 -1,-0.1 -4,-0.2 114,-0.0 -0.969 70.3-141.4-139.3 123.7 -6.0 -9.4 -21.5 41 47 A P + 0 0 89 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 0.322 61.2 133.9 -67.1 17.7 -8.5 -8.0 -24.1 42 48 A L - 0 0 7 -6,-0.2 2,-0.6 -34,-0.1 -34,-0.2 -0.445 49.9-144.4 -68.6 140.0 -8.8 -5.0 -21.7 43 49 A N E -a 8 0A 85 -36,-3.0 -34,-2.4 -2,-0.1 2,-0.5 -0.918 11.4-163.1-109.8 120.9 -8.6 -1.6 -23.6 44 50 A F E -a 9 0A 44 -2,-0.6 2,-0.5 -36,-0.2 -34,-0.2 -0.888 5.9-172.5-106.1 126.9 -6.9 1.3 -21.7 45 51 A T E -a 10 0A 79 -36,-1.9 -34,-1.7 -2,-0.5 2,-0.4 -0.961 18.9-135.3-120.0 130.0 -7.5 4.8 -22.9 46 52 A R E -a 11 0A 81 -2,-0.5 2,-0.5 -36,-0.2 -34,-0.2 -0.678 18.2-151.0 -83.7 130.1 -5.6 7.9 -21.6 47 53 A L - 0 0 56 -36,-1.9 -34,-0.2 -2,-0.4 3,-0.1 -0.860 9.4-155.0-104.2 131.6 -7.8 10.9 -20.8 48 54 A H S S- 0 0 154 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.905 78.7 -2.9 -70.0 -40.0 -6.3 14.4 -21.1 49 55 A D S S+ 0 0 124 2,-0.1 -1,-0.2 -37,-0.0 2,-0.1 -0.941 98.6 55.1-146.1 168.1 -8.9 15.9 -18.6 50 56 A G S S- 0 0 52 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.1 -0.387 90.5 -51.3 97.5 179.9 -12.0 14.8 -16.6 51 57 A I - 0 0 131 -2,-0.1 2,-0.3 4,-0.0 -2,-0.1 -0.787 54.7-164.6 -96.4 135.1 -12.4 12.0 -14.1 52 58 A A - 0 0 1 -2,-0.4 3,-0.2 1,-0.1 -41,-0.1 -0.751 31.7-112.5-114.7 163.6 -11.2 8.5 -15.1 53 59 A D S S+ 0 0 32 -2,-0.3 2,-0.7 1,-0.2 -42,-0.2 0.955 110.8 36.3 -60.0 -49.5 -11.9 5.1 -13.6 54 60 A I E S-b 11 0A 7 -44,-2.2 -42,-1.7 35,-0.1 2,-0.4 -0.843 75.2-179.3-109.3 102.0 -8.3 4.6 -12.5 55 61 A M E -b 12 0A 65 -2,-0.7 35,-1.8 -3,-0.2 2,-0.4 -0.831 11.5-155.0-101.4 133.1 -6.6 7.8 -11.4 56 62 A I E +bc 13 90A 0 -44,-2.3 -42,-3.0 -2,-0.4 -41,-0.6 -0.885 22.4 157.9-108.9 135.5 -3.0 7.7 -10.3 57 63 A S E - c 0 91A 29 33,-1.6 35,-1.9 -2,-0.4 2,-0.5 -0.987 37.5-120.6-150.9 160.3 -1.5 10.2 -7.8 58 64 A F E - c 0 92A 14 -2,-0.3 35,-0.2 33,-0.2 2,-0.1 -0.906 32.8-173.9-107.7 123.1 1.5 10.6 -5.4 59 65 A G E - c 0 93A 18 33,-3.5 35,-3.6 -2,-0.5 36,-0.3 -0.457 14.6-129.7-105.9-177.9 0.6 11.3 -1.7 60 66 A I - 0 0 90 2,-0.5 9,-0.2 33,-0.2 33,-0.0 -0.891 47.5 -69.1-130.5 160.7 2.7 12.1 1.4 61 67 A K S S+ 0 0 110 -2,-0.3 8,-1.2 7,-0.1 2,-0.2 0.665 125.9 42.7 -11.1 -84.2 2.8 10.6 5.0 62 68 A E + 0 0 161 6,-0.2 -2,-0.5 1,-0.1 4,-0.1 -0.539 66.8 166.5 -72.8 133.5 -0.6 12.0 6.0 63 69 A H - 0 0 39 2,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.036 63.0 -89.3-141.8 37.2 -3.1 11.5 3.1 64 70 A G S S+ 0 0 77 1,-0.2 2,-0.3 2,-0.0 -2,-0.1 0.939 96.1 101.9 58.7 46.3 -6.6 12.1 4.7 65 71 A D S S- 0 0 56 1,-0.0 -2,-0.3 0, 0.0 -1,-0.2 -0.994 83.3-116.3-153.9 159.6 -7.0 8.5 5.7 66 72 A F S S+ 0 0 166 -2,-0.3 -2,-0.0 1,-0.2 -4,-0.0 0.294 106.0 73.9 -81.4 15.0 -6.8 6.2 8.8 67 73 A Y + 0 0 152 -4,-0.0 -1,-0.2 0, 0.0 0, 0.0 -0.395 68.5 178.9-123.7 57.5 -4.0 4.5 7.0 68 74 A P - 0 0 75 0, 0.0 -6,-0.2 0, 0.0 -7,-0.1 -0.120 35.7-104.2 -53.9 155.7 -1.1 6.9 7.2 69 75 A F - 0 0 8 -8,-1.2 5,-0.1 -9,-0.2 4,-0.1 -0.421 19.1-129.0 -80.2 160.5 2.2 5.7 5.6 70 76 A D - 0 0 98 1,-0.3 3,-0.2 3,-0.2 -1,-0.1 0.187 59.1 -89.5 -96.4 19.8 5.0 4.4 7.9 71 77 A G S S- 0 0 15 1,-0.2 -1,-0.3 4,-0.1 24,-0.1 -0.825 80.0 -25.3 110.7-151.9 7.6 6.6 6.3 72 78 A P S S+ 0 0 88 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.991 126.7 47.7 -64.7 -61.3 9.9 5.7 3.3 73 79 A S S S+ 0 0 64 -3,-0.2 2,-0.5 -4,-0.1 -3,-0.2 -0.397 96.2 46.5 -77.8 160.0 9.9 1.8 3.6 74 80 A G S S+ 0 0 44 -5,-0.1 2,-0.8 -2,-0.1 3,-0.1 -0.933 104.5 29.5 114.8-130.8 6.6 -0.1 4.2 75 81 A L - 0 0 91 -2,-0.5 -4,-0.1 1,-0.2 3,-0.1 -0.517 60.4-179.3 -68.6 106.5 3.4 0.6 2.1 76 82 A L - 0 0 20 -2,-0.8 17,-1.8 1,-0.3 2,-0.3 0.775 67.0 -28.1 -79.7 -23.5 4.9 1.7 -1.2 77 83 A A E -D 92 0A 18 15,-0.2 2,-0.3 -3,-0.1 -1,-0.3 -0.972 60.5-161.0-176.4 168.8 1.4 2.2 -2.7 78 84 A H E -D 91 0A 42 13,-1.6 13,-2.4 -2,-0.3 2,-0.3 -0.994 1.3-165.4-161.0 160.2 -2.2 0.9 -2.4 79 85 A A E -D 90 0A 37 -2,-0.3 11,-0.2 11,-0.2 8,-0.1 -0.942 22.2-114.9-145.5 167.6 -5.5 0.8 -4.3 80 86 A F - 0 0 90 9,-0.9 8,-1.3 -2,-0.3 3,-0.2 -0.775 42.4 -93.2-105.6 152.4 -9.2 0.1 -3.7 81 87 A P - 0 0 84 0, 0.0 2,-1.7 0, 0.0 7,-1.0 -0.021 64.5 -66.5 -56.0 167.2 -11.1 -2.9 -5.3 82 88 A P S S+ 0 0 39 0, 0.0 -79,-0.1 0, 0.0 5,-0.1 -0.317 84.1 144.8 -59.1 85.4 -13.0 -2.4 -8.6 83 89 A G - 0 0 29 -2,-1.7 -3,-0.0 1,-0.2 0, 0.0 -0.373 56.2 -76.4-110.1-167.3 -15.7 -0.0 -7.2 84 90 A P S S- 0 0 115 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.644 94.2 -35.5 -65.3-129.2 -17.5 3.0 -8.8 85 91 A N S S+ 0 0 103 1,-0.2 -2,-0.1 3,-0.0 -33,-0.1 0.945 144.9 47.6 -64.8 -45.7 -15.5 6.3 -9.0 86 92 A Y S > S+ 0 0 205 2,-0.1 3,-0.8 -32,-0.1 -6,-0.2 0.907 102.2 75.7 -63.3 -40.4 -13.6 5.8 -5.7 87 93 A G T 3 S+ 0 0 5 1,-0.2 3,-0.1 -8,-0.1 31,-0.0 -0.165 86.5 39.0 -66.6 168.1 -12.7 2.2 -6.6 88 94 A G T 3 S+ 0 0 2 -8,-1.3 -1,-0.2 -7,-1.0 -2,-0.1 0.578 87.1 137.4 69.5 5.1 -9.9 1.4 -9.1 89 95 A D < - 0 0 14 -3,-0.8 -9,-0.9 -8,-0.2 2,-0.3 -0.371 38.0-158.9 -79.2 164.2 -8.0 4.4 -7.6 90 96 A A E -cD 56 79A 2 -35,-1.8 -33,-1.6 -11,-0.2 2,-0.3 -0.949 6.7-169.7-148.8 125.8 -4.2 4.1 -6.9 91 97 A H E -cD 57 78A 32 -13,-2.4 -13,-1.6 -2,-0.3 2,-0.3 -0.869 4.9-161.3-115.6 149.4 -2.0 6.2 -4.6 92 98 A F E -cD 58 77A 0 -35,-1.9 -33,-3.5 -2,-0.3 2,-0.5 -0.934 27.8-107.1-127.3 151.3 1.8 6.2 -4.4 93 99 A D E > -c 59 0A 2 -17,-1.8 3,-0.6 -2,-0.3 -33,-0.2 -0.642 23.2-169.1 -79.5 123.2 4.2 7.4 -1.6 94 100 A D T 3 S+ 0 0 38 -35,-3.6 -34,-0.2 -2,-0.5 -1,-0.2 0.580 82.9 69.3 -86.9 -7.5 5.9 10.7 -2.6 95 101 A D T 3 S+ 0 0 73 -36,-0.3 -1,-0.2 -24,-0.1 2,-0.1 0.600 89.7 78.7 -83.9 -10.0 8.2 10.4 0.4 96 102 A E S < S- 0 0 5 -3,-0.6 2,-0.9 -20,-0.1 -77,-0.1 -0.454 92.4-105.0 -92.6 170.0 9.9 7.4 -1.3 97 103 A T - 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