==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-MAR-01 1I76 . COMPND 2 MOLECULE: NEUTROPHIL COLLAGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.GAVUZZO,G.POCHETTI,F.MAZZA,C.GALLINA,B.GORINI,S.D'ALESSIO, . 163 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8068.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 50.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 3.7 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 . 8 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 20.2 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 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 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 . 1 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 . 0 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 80 A M 0 0 105 0, 0.0 126,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -17.8 24.0 47.9 60.4 2 81 A L B -A 126 0A 60 124,-0.3 124,-0.2 126,-0.1 3,-0.1 -0.822 360.0-108.4 -98.3 147.3 21.8 50.0 62.9 3 82 A T > - 0 0 21 122,-2.6 3,-2.1 -2,-0.4 124,-0.1 -0.422 48.0 -87.4 -65.4 144.6 22.6 53.6 63.6 4 83 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 121,-0.0 -0.209 117.2 23.9 -46.9 133.9 24.0 54.4 67.1 5 84 A G T 3 S- 0 0 73 1,-0.2 -2,-0.1 -3,-0.1 0, 0.0 0.470 111.3-107.4 87.2 -2.7 21.2 54.9 69.6 6 85 A N < - 0 0 112 -3,-2.1 -1,-0.2 1,-0.1 120,-0.1 0.825 45.7-168.8 50.3 47.9 18.9 52.9 67.5 7 86 A P + 0 0 19 0, 0.0 2,-0.3 0, 0.0 -4,-0.2 -0.418 15.7 166.1 -69.0 131.0 16.8 55.9 66.3 8 87 A K - 0 0 83 78,-0.1 2,-0.2 79,-0.1 117,-0.1 -0.993 41.4 -97.6-143.3 155.3 13.6 54.6 64.5 9 88 A W - 0 0 8 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.528 23.4-148.9 -69.9 140.2 10.3 55.9 63.3 10 89 A E S S+ 0 0 147 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.715 82.9 48.1 -83.8 -19.8 7.5 55.2 65.8 11 90 A R - 0 0 123 1,-0.1 36,-0.0 2,-0.0 -2,-0.0 -0.856 70.0-148.0-114.7 157.1 4.9 54.9 63.0 12 91 A T S S+ 0 0 63 -2,-0.3 36,-2.8 1,-0.1 2,-0.8 0.574 80.4 75.9-110.2 -6.5 5.2 52.9 59.8 13 92 A N E +b 48 0B 86 34,-0.2 2,-0.3 36,-0.1 36,-0.2 -0.896 67.6 176.0-102.7 106.6 3.2 55.0 57.4 14 93 A L E -b 49 0B 0 34,-2.4 36,-2.5 -2,-0.8 2,-0.3 -0.874 21.5-137.7-110.5 148.0 5.5 57.9 56.5 15 94 A T E -b 50 0B 34 -2,-0.3 44,-2.4 34,-0.2 2,-0.3 -0.714 16.9-169.0-103.9 159.6 5.1 60.7 54.1 16 95 A Y E -bc 51 59B 14 34,-2.0 36,-2.6 -2,-0.3 2,-0.4 -0.975 5.3-162.5-139.0 156.6 7.6 62.1 51.8 17 96 A R E - c 0 60B 32 42,-2.2 44,-2.7 -2,-0.3 2,-0.8 -0.987 17.0-142.5-142.4 131.7 7.9 65.2 49.6 18 97 A I E - c 0 61B 10 34,-0.4 44,-0.2 -2,-0.4 3,-0.1 -0.837 21.1-173.7 -90.6 107.8 10.2 66.0 46.6 19 98 A R - 0 0 105 42,-3.3 2,-0.3 -2,-0.8 43,-0.2 0.769 60.9 -6.6 -78.0 -32.2 10.8 69.7 47.2 20 99 A N - 0 0 53 41,-0.5 2,-0.2 44,-0.0 -1,-0.1 -0.910 68.1-126.1-154.3 178.9 12.8 70.5 44.0 21 100 A Y - 0 0 63 -2,-0.3 42,-0.1 42,-0.1 6,-0.1 -0.605 15.3-116.2-133.1 170.0 14.3 68.8 41.0 22 101 A T > - 0 0 5 -2,-0.2 3,-1.1 3,-0.1 8,-0.1 -0.988 22.8-138.8-106.9 132.4 17.5 68.3 39.1 23 102 A P T 3 S+ 0 0 130 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.605 92.7 74.2 -67.2 -12.5 17.3 69.6 35.5 24 103 A Q T 3 S+ 0 0 89 2,-0.1 2,-0.3 80,-0.0 78,-0.0 0.519 100.2 39.8 -82.9 -7.6 19.2 66.7 34.1 25 104 A L S < S- 0 0 16 -3,-1.1 -3,-0.1 79,-0.1 2,-0.1 -0.943 95.5-102.2-128.1 153.6 16.4 64.2 34.4 26 105 A S > - 0 0 57 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.396 35.6-109.0 -66.5 165.4 12.7 64.9 33.7 27 106 A E H > S+ 0 0 120 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.932 122.0 52.7 -58.7 -42.5 10.5 65.5 36.7 28 107 A A H > S+ 0 0 63 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.885 106.8 52.7 -61.8 -39.3 8.8 62.1 36.0 29 108 A E H > S+ 0 0 77 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.897 110.7 46.3 -65.7 -39.1 12.2 60.5 36.0 30 109 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.939 112.2 50.6 -66.4 -47.7 13.1 61.9 39.4 31 110 A E H X S+ 0 0 57 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.907 112.0 48.2 -55.6 -42.6 9.7 61.0 40.8 32 111 A R H X S+ 0 0 129 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.904 108.9 52.4 -66.8 -46.3 10.2 57.4 39.6 33 112 A A H X S+ 0 0 11 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.941 114.9 42.8 -54.0 -46.7 13.7 57.1 41.0 34 113 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.921 113.5 50.6 -67.5 -47.6 12.5 58.2 44.4 35 114 A K H X S+ 0 0 111 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.929 113.7 45.2 -53.5 -48.4 9.3 56.1 44.3 36 115 A D H X S+ 0 0 63 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.870 108.8 56.6 -70.6 -32.1 11.2 53.0 43.4 37 116 A A H X S+ 0 0 0 -4,-1.9 4,-0.8 -5,-0.3 -1,-0.2 0.925 110.4 44.7 -63.8 -44.4 13.9 53.7 46.0 38 117 A F H >X S+ 0 0 3 -4,-2.3 4,-2.2 1,-0.2 3,-0.8 0.907 108.0 58.1 -64.2 -41.0 11.2 53.8 48.8 39 118 A E H 3X S+ 0 0 106 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.842 94.9 65.3 -62.4 -30.7 9.5 50.7 47.4 40 119 A L H 3< S+ 0 0 11 -4,-1.6 110,-0.3 1,-0.2 -1,-0.2 0.898 110.6 36.8 -53.7 -43.6 12.7 48.7 47.8 41 120 A W H X< S+ 0 0 0 -4,-0.8 3,-1.2 -3,-0.8 6,-0.3 0.865 111.9 59.2 -77.4 -36.9 12.5 49.2 51.6 42 121 A S H >< S+ 0 0 17 -4,-2.2 3,-1.3 1,-0.3 -2,-0.2 0.867 100.8 55.3 -62.3 -38.9 8.7 48.9 51.7 43 122 A V T 3< S+ 0 0 104 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.602 110.7 45.8 -76.9 -4.4 8.7 45.4 50.3 44 123 A A T < S+ 0 0 13 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.225 121.6 25.5-115.1 13.5 11.0 44.1 53.0 45 124 A S S < S- 0 0 21 -3,-1.3 118,-0.1 2,-0.2 114,-0.1 -0.858 88.2 -94.7-157.1-179.4 9.3 45.7 56.0 46 125 A P S S+ 0 0 56 0, 0.0 -4,-0.1 0, 0.0 2,-0.1 0.381 79.6 124.5 -85.5 -9.4 5.9 47.0 57.2 47 126 A L - 0 0 3 -6,-0.3 2,-0.4 -34,-0.1 -34,-0.2 -0.378 41.2-168.3 -54.5 134.9 6.7 50.6 56.1 48 127 A I E -b 13 0B 100 -36,-2.8 -34,-2.4 -2,-0.1 2,-0.5 -0.998 7.9-151.8-127.5 129.5 4.4 52.3 53.7 49 128 A F E -b 14 0B 31 -2,-0.4 2,-0.5 -36,-0.2 -34,-0.2 -0.918 7.3-167.0-110.5 130.0 5.4 55.6 52.0 50 129 A T E -b 15 0B 57 -36,-2.5 -34,-2.0 -2,-0.5 2,-0.3 -0.971 13.4-142.6-119.0 117.0 2.9 58.2 50.9 51 130 A R E -b 16 0B 94 -2,-0.5 2,-0.3 -36,-0.2 -34,-0.2 -0.536 14.7-167.1 -73.2 137.2 4.0 61.0 48.6 52 131 A I - 0 0 40 -36,-2.6 -34,-0.4 -2,-0.3 3,-0.1 -0.936 16.4-148.2-122.8 150.0 2.5 64.5 49.2 53 132 A S S S+ 0 0 73 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.616 78.1 2.5 -90.9 -20.7 2.8 67.3 46.7 54 133 A Q S S+ 0 0 143 2,-0.1 -1,-0.2 -37,-0.0 2,-0.1 -0.946 98.4 45.7-158.0 163.4 3.0 70.2 49.2 55 134 A G S S- 0 0 40 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.1 -0.238 95.4 -25.6 89.5-167.8 3.0 70.8 53.0 56 135 A E + 0 0 124 -2,-0.1 2,-0.3 4,-0.0 -2,-0.1 -0.632 59.7 180.0 -94.1 128.6 5.0 69.2 55.7 57 136 A A - 0 0 3 -2,-0.4 3,-0.2 1,-0.1 -41,-0.1 -0.850 36.4-123.1-114.3 156.1 6.2 65.6 55.1 58 137 A D S S+ 0 0 46 -2,-0.3 2,-0.7 1,-0.2 -42,-0.2 0.942 105.8 38.4 -54.6 -55.1 8.3 63.2 57.4 59 138 A I E S-c 16 0B 0 -44,-2.4 -42,-2.2 35,-0.1 2,-0.4 -0.910 75.0-166.5-113.2 105.8 11.0 62.8 54.7 60 139 A N E -c 17 0B 10 -2,-0.7 35,-2.6 -44,-0.2 2,-0.4 -0.788 5.9-161.4 -86.6 136.6 11.8 65.9 52.7 61 140 A I E +cd 18 95B 0 -44,-2.7 -42,-3.3 -2,-0.4 -41,-0.5 -0.975 20.2 155.7-119.1 131.2 13.9 65.3 49.5 62 141 A A E - d 0 96B 1 33,-1.6 35,-2.4 -2,-0.4 2,-0.5 -0.992 39.4-128.7-156.6 155.2 15.8 68.1 47.8 63 142 A F E + d 0 97B 7 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.926 38.3 170.2-103.0 121.9 18.7 68.9 45.5 64 143 A Y E - d 0 98B 68 33,-2.5 35,-2.7 -2,-0.5 2,-0.4 -0.960 25.6-135.7-133.8 159.4 21.1 71.6 46.9 65 144 A Q - 0 0 112 -2,-0.3 33,-0.1 2,-0.2 -2,-0.0 -0.908 60.7 -44.4-113.1 140.9 24.5 73.0 46.1 66 145 A R S S+ 0 0 112 -2,-0.4 8,-2.2 7,-0.1 2,-0.3 -0.121 123.1 22.6 47.8-130.6 27.3 73.8 48.6 67 146 A D + 0 0 134 6,-0.3 -2,-0.2 1,-0.1 8,-0.0 -0.525 66.7 163.4 -68.4 131.1 26.0 75.5 51.8 68 147 A H - 0 0 34 -2,-0.3 -1,-0.1 -4,-0.1 -2,-0.1 0.055 61.3 -84.3-147.0 29.0 22.2 74.7 52.2 69 148 A G S S+ 0 0 85 1,-0.0 -2,-0.1 0, 0.0 0, 0.0 0.355 107.6 84.1 99.5 -8.0 21.2 75.5 55.7 70 149 A D S S- 0 0 25 2,-0.1 -3,-0.0 21,-0.0 -1,-0.0 0.303 95.3-113.3-118.1 11.2 22.2 72.4 57.7 71 150 A N S S+ 0 0 160 1,-0.1 -4,-0.1 0, 0.0 0, 0.0 0.574 95.3 95.7 67.0 11.8 25.9 73.0 58.5 72 151 A S - 0 0 60 -6,-0.1 -1,-0.1 11,-0.0 -2,-0.1 -0.732 65.1-163.3-124.0 76.3 26.9 70.0 56.2 73 152 A P - 0 0 72 0, 0.0 -6,-0.3 0, 0.0 -7,-0.1 -0.307 16.6-120.0 -63.2 146.8 27.7 71.7 52.9 74 153 A F - 0 0 8 -8,-2.2 7,-0.1 23,-0.1 -9,-0.1 -0.277 16.9-137.7 -73.6 171.8 28.0 69.8 49.7 75 154 A D - 0 0 73 1,-0.4 -1,-0.1 5,-0.4 -10,-0.1 0.162 35.5-107.0-129.8 17.3 31.3 69.9 47.8 76 155 A G S S+ 0 0 0 4,-0.1 -1,-0.4 3,-0.0 25,-0.1 -0.314 78.2 4.1 77.3-171.5 30.6 70.3 44.1 77 156 A P S S- 0 0 81 0, 0.0 24,-0.1 0, 0.0 3,-0.1 -0.171 119.2 -10.8 -51.9 140.1 31.0 67.6 41.5 78 157 A N S S+ 0 0 86 1,-0.2 -3,-0.2 20,-0.1 2,-0.1 -0.210 99.5 77.8 62.3-163.2 31.9 64.1 42.7 79 158 A G S S+ 0 0 57 -5,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.395 101.9 21.4 64.3-133.6 33.0 63.5 46.4 80 159 A I - 0 0 96 1,-0.2 -5,-0.4 -2,-0.1 3,-0.1 -0.528 66.9-175.9 -69.9 131.6 30.0 63.5 48.6 81 160 A L - 0 0 24 1,-0.4 17,-2.9 -2,-0.3 2,-0.3 0.722 59.1 -27.2 -93.3 -34.9 26.9 62.7 46.5 82 161 A A E -E 97 0B 8 15,-0.3 -1,-0.4 -19,-0.0 2,-0.3 -0.951 54.3-153.8-172.3 166.6 24.1 63.1 49.0 83 162 A H E -E 96 0B 35 13,-2.5 13,-3.0 -2,-0.3 2,-0.3 -0.973 5.2-160.4-155.7 165.3 23.4 62.7 52.8 84 163 A A E -E 95 0B 23 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.960 16.3-121.7-148.9 159.1 20.4 62.0 55.0 85 164 A F - 0 0 52 9,-2.1 8,-0.7 6,-0.3 3,-0.1 -0.784 32.0-106.5-108.2 141.7 19.4 62.4 58.6 86 165 A Q - 0 0 99 -2,-0.3 7,-1.3 6,-0.2 8,-0.2 -0.128 57.7 -67.9 -59.6 159.3 18.4 59.7 61.1 87 166 A P S S+ 0 0 10 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.162 86.1 96.8 -52.3 139.5 14.8 59.2 62.1 88 167 A G S S- 0 0 34 35,-0.1 -3,-0.1 -3,-0.1 -79,-0.0 -0.914 71.6 -54.8 160.7 178.3 13.3 62.1 64.1 89 168 A Q S > S- 0 0 175 -2,-0.3 3,-2.1 2,-0.1 2,-0.2 -0.267 99.7 -0.2 -75.3 163.9 11.3 65.3 63.9 90 169 A G T 3 S+ 0 0 35 1,-0.3 4,-0.1 3,-0.1 -2,-0.1 -0.382 141.1 8.8 64.1-125.1 12.1 68.2 61.7 91 170 A I T > S+ 0 0 75 -2,-0.2 3,-2.2 2,-0.1 -6,-0.3 0.729 103.6 115.8 -62.4 -20.2 15.3 67.6 59.7 92 171 A G T < S+ 0 0 7 -3,-2.1 -6,-0.2 1,-0.3 -4,-0.1 -0.171 81.9 12.9 -52.3 139.2 15.2 64.0 60.9 93 172 A G T 3 S+ 0 0 0 -7,-1.3 -1,-0.3 -8,-0.7 30,-0.1 0.188 94.0 136.2 78.8 -16.7 14.7 61.6 58.0 94 173 A D < - 0 0 15 -3,-2.2 -9,-2.1 -8,-0.2 2,-0.4 -0.284 40.4-153.0 -74.3 150.9 15.4 64.2 55.4 95 174 A A E -dE 61 84B 0 -35,-2.6 -33,-1.6 -11,-0.2 2,-0.4 -0.986 8.1-168.5-127.9 127.3 17.6 63.4 52.4 96 175 A H E -dE 62 83B 12 -13,-3.0 -13,-2.5 -2,-0.4 2,-0.4 -0.923 5.0-157.4-119.1 142.0 19.6 65.9 50.4 97 176 A F E -dE 63 82B 0 -35,-2.4 -33,-2.5 -2,-0.4 2,-0.6 -0.949 29.4-108.3-121.9 138.2 21.3 65.3 47.0 98 177 A D E > -d 64 0B 0 -17,-2.9 3,-1.8 -2,-0.4 -33,-0.2 -0.522 24.0-154.8 -75.1 114.8 24.2 67.4 45.7 99 178 A A T 3 S+ 0 0 35 -35,-2.7 -34,-0.2 -2,-0.6 -1,-0.2 0.661 87.1 67.5 -62.8 -18.2 22.7 69.4 42.9 100 179 A E T 3 S+ 0 0 52 -36,-0.4 -1,-0.3 -22,-0.1 2,-0.1 0.467 82.5 97.6 -87.8 -1.1 26.2 69.7 41.2 101 180 A E S < S- 0 0 3 -3,-1.8 2,-0.6 -20,-0.2 9,-0.1 -0.478 83.8-109.3 -78.2 159.4 26.4 66.0 40.3 102 181 A T - 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