==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 07-MAR-01 1I73 . 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, . 165 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8120.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 85 51.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 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 . 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 . 7 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 20.6 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 0 132 0, 0.0 126,-2.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 122.1 24.1 47.9 60.6 2 81 A L B -A 126 0A 51 124,-0.3 124,-0.2 1,-0.1 3,-0.1 -0.799 360.0 -98.5-107.1 146.5 21.8 50.0 62.7 3 82 A T > - 0 0 10 122,-2.3 3,-2.6 -2,-0.3 -1,-0.1 -0.327 46.7 -92.1 -62.8 142.9 22.6 53.6 63.7 4 83 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.345 118.7 22.9 -51.2 128.6 24.0 54.2 67.2 5 84 A G T 3 S- 0 0 72 1,-0.2 -2,-0.1 -3,-0.1 0, 0.0 0.330 109.3-116.2 91.8 -4.0 21.1 54.9 69.6 6 85 A N < - 0 0 108 -3,-2.6 -1,-0.2 1,-0.2 2,-0.1 0.829 37.4-165.1 37.8 57.6 18.8 53.1 67.2 7 86 A P + 0 0 20 0, 0.0 2,-0.3 0, 0.0 -4,-0.2 -0.460 17.1 169.6 -63.9 136.3 16.6 56.0 66.2 8 87 A K - 0 0 112 -2,-0.1 2,-0.2 78,-0.1 117,-0.1 -0.984 38.3 -99.3-147.2 155.5 13.5 54.6 64.4 9 88 A W - 0 0 8 115,-0.3 5,-0.0 -2,-0.3 115,-0.0 -0.553 21.0-150.3 -73.8 142.8 10.1 55.8 63.2 10 89 A E S S+ 0 0 185 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.710 82.7 52.8 -89.9 -20.3 7.2 55.1 65.6 11 90 A R - 0 0 99 1,-0.1 -2,-0.1 2,-0.0 36,-0.0 -0.811 68.1-152.6-110.5 159.9 4.7 54.9 62.7 12 91 A T S S+ 0 0 64 -2,-0.3 36,-2.7 1,-0.1 2,-0.8 0.621 79.7 76.7-113.5 -3.1 5.0 52.8 59.7 13 92 A N E +b 48 0B 90 34,-0.2 2,-0.3 36,-0.1 36,-0.2 -0.898 68.6 176.7-104.1 101.7 3.0 54.9 57.2 14 93 A L E -b 49 0B 0 34,-2.3 36,-2.5 -2,-0.8 2,-0.3 -0.860 19.6-140.4-109.1 145.6 5.4 57.7 56.4 15 94 A T E -b 50 0B 35 -2,-0.3 44,-2.4 34,-0.2 2,-0.3 -0.694 14.6-167.0-103.2 161.0 5.0 60.5 54.0 16 95 A Y E -bc 51 59B 15 34,-2.0 36,-2.6 -2,-0.3 2,-0.4 -0.976 5.5-161.5-138.9 155.3 7.5 62.1 51.6 17 96 A R E - c 0 60B 27 42,-2.3 44,-2.5 -2,-0.3 2,-0.7 -0.988 15.7-144.4-138.0 133.3 7.7 65.2 49.5 18 97 A I E - c 0 61B 8 34,-0.4 44,-0.2 -2,-0.4 3,-0.1 -0.855 20.4-174.3 -90.9 105.5 10.0 66.0 46.5 19 98 A R - 0 0 101 42,-3.3 2,-0.3 -2,-0.7 43,-0.2 0.746 61.1 -8.2 -78.6 -31.7 10.6 69.7 47.1 20 99 A N - 0 0 55 41,-0.5 2,-0.2 44,-0.0 -1,-0.1 -0.921 67.6-126.8-155.7 177.9 12.6 70.5 43.9 21 100 A Y - 0 0 66 -2,-0.3 42,-0.1 42,-0.1 6,-0.1 -0.691 15.7-113.3-131.0 174.6 14.2 68.7 40.9 22 101 A T > - 0 0 5 -2,-0.2 3,-1.2 4,-0.1 8,-0.1 -0.950 20.8-136.2-109.3 138.0 17.4 68.4 38.9 23 102 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.628 95.2 72.2 -70.4 -9.1 17.6 69.6 35.3 24 103 A Q T 3 S+ 0 0 80 2,-0.1 2,-0.3 80,-0.0 78,-0.0 0.615 102.0 37.6 -87.3 -5.0 19.4 66.5 34.1 25 104 A L S < S- 0 0 18 -3,-1.2 -3,-0.1 79,-0.1 79,-0.0 -0.925 93.1-102.1-131.4 154.7 16.4 64.2 34.4 26 105 A S > - 0 0 57 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.318 35.9-110.1 -68.3 164.7 12.7 64.9 33.6 27 106 A E H > S+ 0 0 121 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.931 121.8 53.0 -61.0 -43.1 10.5 65.5 36.6 28 107 A A H > S+ 0 0 65 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.888 107.1 51.7 -57.7 -40.8 8.8 62.1 35.9 29 108 A E H > S+ 0 0 75 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.890 110.8 47.4 -68.5 -37.0 12.2 60.4 35.9 30 109 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.941 111.7 50.3 -64.8 -45.4 13.1 61.9 39.3 31 110 A E H X S+ 0 0 61 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.911 112.1 48.3 -59.3 -40.5 9.7 61.0 40.7 32 111 A R H X S+ 0 0 133 -4,-2.4 4,-2.8 -5,-0.2 5,-0.3 0.913 109.1 51.8 -64.7 -50.2 10.1 57.4 39.5 33 112 A A H X S+ 0 0 9 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.924 115.5 43.0 -51.3 -48.5 13.7 57.1 40.9 34 113 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.918 113.6 49.9 -64.6 -48.9 12.4 58.2 44.3 35 114 A K H X S+ 0 0 113 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.925 113.5 46.1 -56.3 -48.6 9.2 56.1 44.2 36 115 A D H X S+ 0 0 60 -4,-2.8 4,-1.5 -5,-0.2 -1,-0.2 0.857 108.5 56.3 -65.9 -34.8 11.2 53.0 43.3 37 116 A A H X S+ 0 0 0 -4,-1.7 4,-0.8 -5,-0.3 -2,-0.2 0.915 110.6 44.7 -62.1 -44.5 13.8 53.7 45.9 38 117 A F H >X S+ 0 0 3 -4,-2.3 4,-2.2 1,-0.2 3,-0.8 0.900 107.2 59.2 -63.6 -43.3 11.2 53.8 48.6 39 118 A E H 3X S+ 0 0 104 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.834 95.5 64.0 -57.9 -32.3 9.5 50.7 47.3 40 119 A L H 3< S+ 0 0 14 -4,-1.5 110,-0.3 1,-0.2 -1,-0.2 0.887 110.4 37.4 -55.8 -45.5 12.7 48.7 47.8 41 120 A W H X< S+ 0 0 0 -4,-0.8 3,-1.4 -3,-0.8 4,-0.3 0.864 112.1 59.9 -75.0 -37.4 12.4 49.2 51.5 42 121 A S H >< S+ 0 0 24 -4,-2.2 3,-1.2 1,-0.3 -2,-0.2 0.889 101.6 52.5 -60.1 -40.7 8.7 48.9 51.6 43 122 A V T 3< S+ 0 0 99 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.575 111.7 47.4 -79.6 0.9 8.7 45.3 50.2 44 123 A A T < S+ 0 0 13 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.2 0.263 120.5 24.0-117.7 11.6 11.1 44.2 52.9 45 124 A S S < S- 0 0 20 -3,-1.2 118,-0.1 -4,-0.3 114,-0.1 -0.864 88.5 -93.9-157.6-178.5 9.4 45.7 55.9 46 125 A P S S+ 0 0 54 0, 0.0 -4,-0.1 0, 0.0 2,-0.1 0.453 80.6 121.6 -89.2 -7.9 6.0 46.9 57.1 47 126 A L - 0 0 1 -6,-0.2 2,-0.4 -34,-0.1 -2,-0.2 -0.381 43.2-166.6 -52.9 137.4 6.7 50.5 56.1 48 127 A I E -b 13 0B 96 -36,-2.7 -34,-2.3 -2,-0.1 2,-0.5 -0.996 8.7-150.1-130.8 123.3 4.3 52.2 53.6 49 128 A F E -b 14 0B 31 -2,-0.4 2,-0.5 -36,-0.2 -34,-0.2 -0.898 9.3-168.1-103.8 131.5 5.4 55.4 51.9 50 129 A T E -b 15 0B 61 -36,-2.5 -34,-2.0 -2,-0.5 2,-0.3 -0.980 13.9-139.3-122.9 120.8 2.8 58.0 50.8 51 130 A R E -b 16 0B 92 -2,-0.5 2,-0.3 -36,-0.2 -34,-0.2 -0.571 15.4-169.6 -76.8 138.7 3.8 60.9 48.5 52 131 A I - 0 0 43 -36,-2.6 -34,-0.4 -2,-0.3 3,-0.1 -0.954 17.5-149.8-125.5 151.8 2.4 64.4 49.1 53 132 A S S S+ 0 0 73 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.649 77.8 6.1 -93.0 -22.6 2.8 67.3 46.6 54 133 A Q S S+ 0 0 144 2,-0.1 -1,-0.1 -37,-0.0 2,-0.1 -0.922 97.2 41.9-151.7 169.3 2.8 70.1 49.2 55 134 A G S S- 0 0 40 -2,-0.3 2,-0.6 -3,-0.1 -3,-0.1 -0.254 96.2 -26.3 82.3-167.4 2.9 70.8 52.9 56 135 A E + 0 0 143 -2,-0.1 2,-0.3 4,-0.0 -2,-0.1 -0.715 59.7 178.9 -93.2 119.2 4.9 69.0 55.6 57 136 A A - 0 0 7 -2,-0.6 3,-0.2 1,-0.1 -41,-0.1 -0.778 38.7-118.8-107.6 154.1 6.0 65.4 55.0 58 137 A D S S+ 0 0 41 -2,-0.3 2,-0.6 1,-0.2 -42,-0.2 0.925 106.8 38.4 -47.1 -54.3 8.1 63.1 57.3 59 138 A I E S-c 16 0B 0 -44,-2.4 -42,-2.3 35,-0.1 2,-0.4 -0.920 74.1-166.1-116.8 106.7 10.8 62.8 54.6 60 139 A N E -c 17 0B 10 -2,-0.6 35,-2.9 -44,-0.2 2,-0.4 -0.779 6.1-160.8 -83.5 139.6 11.7 65.9 52.5 61 140 A I E +cd 18 95B 0 -44,-2.5 -42,-3.3 -2,-0.4 -41,-0.5 -0.989 20.3 156.8-123.4 129.0 13.7 65.3 49.4 62 141 A A E - d 0 96B 1 33,-1.6 35,-2.7 -2,-0.4 2,-0.5 -0.990 38.8-129.3-152.6 155.5 15.7 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 -0.919 38.7 169.3-102.7 123.1 18.6 68.9 45.5 64 143 A Y E - d 0 98B 66 33,-2.5 35,-2.7 -2,-0.5 2,-0.4 -0.959 26.8-133.4-135.8 158.2 20.9 71.6 46.9 65 144 A Q - 0 0 114 -2,-0.3 33,-0.1 2,-0.2 10,-0.0 -0.902 60.4 -46.9-110.8 141.3 24.3 73.1 46.1 66 145 A R S S+ 0 0 120 -2,-0.4 8,-2.2 7,-0.1 2,-0.3 -0.089 123.3 23.0 45.6-127.4 27.1 73.8 48.6 67 146 A D + 0 0 135 6,-0.2 -2,-0.2 1,-0.1 8,-0.0 -0.559 66.7 163.1 -70.2 129.7 25.8 75.5 51.7 68 147 A H - 0 0 33 -2,-0.3 -1,-0.1 -4,-0.1 -2,-0.1 -0.048 61.9 -83.5-146.7 33.9 22.1 74.8 52.1 69 148 A G S S+ 0 0 85 1,-0.0 -2,-0.1 0, 0.0 0, 0.0 0.413 108.3 83.4 93.2 -0.7 21.1 75.6 55.6 70 149 A D S S- 0 0 30 2,-0.1 -1,-0.0 21,-0.0 -3,-0.0 0.321 94.8-114.5-119.8 9.2 22.0 72.5 57.6 71 150 A N S S+ 0 0 157 1,-0.1 -4,-0.1 0, 0.0 0, 0.0 0.513 93.7 97.1 62.7 17.0 25.7 73.0 58.4 72 151 A S - 0 0 39 -6,-0.1 -1,-0.1 11,-0.0 -2,-0.1 -0.763 65.4-162.3-122.7 85.1 26.7 70.0 56.2 73 152 A P - 0 0 60 0, 0.0 -6,-0.2 0, 0.0 -7,-0.1 -0.323 14.8-120.5 -70.3 149.4 27.6 71.6 52.9 74 153 A F - 0 0 7 -8,-2.2 7,-0.1 23,-0.1 -9,-0.1 -0.313 16.7-138.6 -78.4 170.6 27.9 69.8 49.6 75 154 A D - 0 0 69 1,-0.4 -1,-0.1 5,-0.4 -10,-0.1 0.138 35.5-105.5-128.5 15.3 31.2 69.9 47.8 76 155 A G S S+ 0 0 0 4,-0.1 -1,-0.4 3,-0.0 24,-0.1 -0.298 78.6 1.3 81.8-170.6 30.6 70.3 44.0 77 156 A P S S- 0 0 82 0, 0.0 24,-0.1 0, 0.0 3,-0.1 -0.158 119.1 -8.0 -56.0 140.2 30.9 67.6 41.4 78 157 A N S S+ 0 0 85 1,-0.2 -3,-0.2 20,-0.1 2,-0.1 -0.215 100.3 73.3 66.3-165.9 31.8 64.1 42.6 79 158 A G S S+ 0 0 58 -5,-0.1 2,-0.3 2,-0.1 -1,-0.2 -0.354 102.1 25.2 67.0-127.2 32.9 63.4 46.3 80 159 A I - 0 0 80 1,-0.2 -5,-0.4 -2,-0.1 3,-0.1 -0.529 66.5-179.4 -69.7 129.4 29.8 63.6 48.5 81 160 A L - 0 0 21 1,-0.4 17,-2.8 -2,-0.3 2,-0.3 0.713 58.9 -26.2 -98.9 -29.4 26.8 62.8 46.4 82 161 A A E -E 97 0B 7 15,-0.3 -1,-0.4 -19,-0.1 2,-0.3 -0.967 53.5-153.4-173.2 165.1 23.9 63.1 49.0 83 162 A H E -E 96 0B 11 13,-2.5 13,-2.9 -2,-0.3 2,-0.3 -0.981 5.0-159.3-154.1 164.0 23.2 62.8 52.7 84 163 A A E -E 95 0B 1 82,-2.3 82,-2.2 -2,-0.3 2,-0.3 -0.989 16.3-123.9-149.9 149.4 20.3 61.9 54.9 85 164 A F - 0 0 29 9,-2.4 8,-0.7 -2,-0.3 3,-0.1 -0.752 32.3-106.6 -97.1 144.5 19.2 62.5 58.6 86 165 A Q - 0 0 101 -2,-0.3 7,-1.3 6,-0.2 8,-0.2 -0.102 58.2 -66.4 -61.6 158.2 18.3 59.7 61.0 87 166 A P S S+ 0 0 13 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.197 86.0 105.4 -50.9 137.1 14.6 59.3 62.0 88 167 A G - 0 0 32 35,-0.1 2,-0.1 -3,-0.1 -3,-0.1 -0.928 69.4 -66.1 168.7 174.3 13.3 62.2 64.0 89 168 A Q S > S+ 0 0 156 -2,-0.3 3,-2.1 2,-0.1 2,-0.2 -0.287 99.2 3.0 -79.8 165.6 11.1 65.3 63.8 90 169 A G T 3 S+ 0 0 60 1,-0.3 4,-0.1 3,-0.1 -2,-0.1 -0.364 141.9 7.9 64.7-126.6 11.9 68.2 61.6 91 170 A I T > S+ 0 0 80 -2,-0.2 3,-2.3 2,-0.1 -6,-0.3 0.724 104.9 114.9 -61.8 -17.1 15.1 67.7 59.6 92 171 A G T < S+ 0 0 7 -3,-2.1 -6,-0.2 1,-0.3 -4,-0.1 -0.187 81.3 14.7 -58.9 139.7 15.0 64.1 60.8 93 172 A G T 3 S+ 0 0 0 -7,-1.3 -1,-0.3 -8,-0.7 30,-0.1 0.159 94.9 136.1 86.2 -23.8 14.4 61.6 58.0 94 173 A D < - 0 0 12 -3,-2.3 -9,-2.4 -8,-0.2 2,-0.4 -0.258 40.4-153.3 -73.2 152.3 15.2 64.2 55.3 95 174 A A E -dE 61 84B 0 -35,-2.9 -33,-1.6 -11,-0.2 2,-0.4 -0.990 7.5-168.1-128.6 123.9 17.4 63.4 52.3 96 175 A H E -dE 62 83B 8 -13,-2.9 -13,-2.5 -2,-0.4 2,-0.4 -0.926 4.7-157.8-116.2 141.2 19.5 66.0 50.3 97 176 A F E -dE 63 82B 0 -35,-2.7 -33,-2.5 -2,-0.4 2,-0.6 -0.927 29.0-107.3-120.1 140.6 21.1 65.4 47.0 98 177 A D E > -d 64 0B 0 -17,-2.8 3,-1.7 -2,-0.4 -33,-0.2 -0.500 24.0-156.2 -70.5 110.9 24.1 67.3 45.6 99 178 A A T 3 S+ 0 0 26 -35,-2.7 -34,-0.2 -2,-0.6 -1,-0.2 0.600 86.7 66.1 -62.5 -19.6 22.6 69.5 42.8 100 179 A E T 3 S+ 0 0 55 -36,-0.4 -1,-0.3 -24,-0.1 2,-0.2 0.407 82.5 98.5 -86.2 0.5 26.0 69.7 41.1 101 180 A E S < S- 0 0 3 -3,-1.7 2,-0.7 -20,-0.2 9,-0.1 -0.500 82.8-112.5 -79.0 161.0 26.2 66.0 40.2 102 181 A T - 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