==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-JUL-08 3DPF . COMPND 2 MOLECULE: NEUTROPHIL COLLAGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.POCHETTI,R.MONTANARI,F.MAZZA . 326 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16254.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 52.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 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 . 21 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 20.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 2 0 2 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 PARALLEL BRIDGES PER LADDER . 2 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 . 0 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 80 A M 0 0 86 0, 0.0 126,-3.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 13.6 6.6 21.8 28.9 2 81 A L B -A 126 0A 62 124,-0.3 124,-0.2 1,-0.1 3,-0.1 -0.807 360.0-107.3 -99.9 137.7 4.3 24.1 30.9 3 82 A T > - 0 0 16 122,-2.8 3,-1.8 -2,-0.4 124,-0.1 -0.350 51.8 -89.6 -59.6 136.0 5.0 27.8 31.4 4 83 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 121,-0.0 -0.178 116.3 31.3 -50.8 135.3 6.1 28.5 35.0 5 84 A G T 3 S- 0 0 73 1,-0.2 -2,-0.1 -3,-0.1 0, 0.0 0.381 109.1-109.6 95.4 -3.3 3.2 29.2 37.2 6 85 A N < - 0 0 115 -3,-1.8 2,-0.4 1,-0.2 -1,-0.2 0.833 50.2-177.5 46.4 44.1 0.9 27.0 35.2 7 86 A P + 0 0 22 0, 0.0 2,-0.3 0, 0.0 -4,-0.2 -0.584 8.8 166.2 -74.7 125.1 -1.1 29.9 33.8 8 87 A K - 0 0 91 -2,-0.4 2,-0.2 78,-0.1 117,-0.1 -0.922 41.1 -95.5-136.3 161.8 -4.0 28.6 31.5 9 88 A W - 0 0 11 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.553 22.6-148.7 -75.6 141.1 -7.1 30.0 29.9 10 89 A E S S+ 0 0 162 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.419 82.3 54.6 -89.3 1.7 -10.3 29.4 32.0 11 90 A R - 0 0 127 1,-0.1 -2,-0.1 0, 0.0 36,-0.0 -0.964 65.5-152.9-132.4 148.2 -12.4 29.1 28.8 12 91 A T S S+ 0 0 71 -2,-0.3 36,-2.4 1,-0.1 2,-0.9 0.682 80.4 78.1 -94.7 -20.6 -11.9 26.9 25.7 13 92 A N E +b 48 0B 51 34,-0.2 2,-0.3 36,-0.1 36,-0.2 -0.799 66.7 176.0 -91.2 105.5 -13.7 29.2 23.2 14 93 A L E -b 49 0B 0 34,-2.9 36,-2.8 -2,-0.9 2,-0.3 -0.806 19.8-145.6-113.6 153.1 -11.1 31.9 22.4 15 94 A T E -b 50 0B 33 -2,-0.3 44,-2.5 34,-0.2 43,-0.6 -0.841 13.4-170.8-113.5 151.5 -11.2 34.9 20.0 16 95 A Y E -bc 51 59B 12 34,-2.3 36,-2.0 -2,-0.3 2,-0.3 -0.956 4.9-162.5-137.9 156.9 -8.4 36.3 17.9 17 96 A R E - c 0 60B 29 42,-2.0 44,-2.6 -2,-0.3 2,-0.9 -0.981 18.4-139.1-144.7 130.9 -8.0 39.4 15.8 18 97 A I E - c 0 61B 12 34,-0.3 44,-0.2 -2,-0.3 42,-0.1 -0.799 21.9-172.0 -87.6 107.4 -5.3 40.3 13.2 19 98 A R - 0 0 116 42,-3.5 2,-0.3 -2,-0.9 43,-0.2 0.840 61.7 -7.1 -72.9 -37.4 -4.7 44.0 14.0 20 99 A N - 0 0 52 41,-0.6 2,-0.2 44,-0.0 -1,-0.1 -0.921 68.8-125.4-149.6 174.2 -2.5 44.9 11.0 21 100 A Y - 0 0 61 -2,-0.3 42,-0.1 41,-0.1 6,-0.1 -0.694 16.4-113.1-122.8 175.8 -0.7 43.2 8.1 22 101 A T > - 0 0 6 -2,-0.2 3,-1.8 4,-0.1 8,-0.1 -0.940 16.3-140.8-112.9 128.3 2.7 42.8 6.4 23 102 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.573 96.0 73.7 -61.6 -10.4 3.3 44.3 2.9 24 103 A Q T 3 S+ 0 0 84 2,-0.1 2,-0.3 80,-0.0 78,-0.0 0.631 103.1 35.3 -80.5 -13.5 5.4 41.2 2.1 25 104 A L S < S- 0 0 23 -3,-1.8 2,-0.1 79,-0.1 -3,-0.1 -0.921 89.8-101.6-136.5 160.5 2.3 39.1 1.8 26 105 A S > - 0 0 54 -2,-0.3 4,-1.9 1,-0.1 3,-0.3 -0.473 36.2-114.4 -78.3 155.8 -1.3 39.5 0.6 27 106 A E H > S+ 0 0 120 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.902 119.5 54.4 -56.0 -40.5 -3.9 39.9 3.2 28 107 A A H > S+ 0 0 68 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.854 107.0 50.8 -61.7 -37.0 -5.4 36.6 2.1 29 108 A E H > S+ 0 0 75 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.860 111.0 47.4 -70.8 -35.8 -2.0 34.9 2.6 30 109 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.918 111.9 50.4 -70.4 -44.1 -1.5 36.3 6.1 31 110 A E H X S+ 0 0 60 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.898 110.9 48.9 -60.0 -42.0 -5.1 35.3 7.1 32 111 A R H X S+ 0 0 137 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.865 109.8 52.3 -67.2 -37.3 -4.5 31.7 5.8 33 112 A A H X S+ 0 0 12 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.945 112.8 43.9 -64.1 -47.4 -1.2 31.5 7.7 34 113 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.912 113.3 52.0 -63.9 -43.2 -2.8 32.5 11.0 35 114 A K H X S+ 0 0 100 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.942 111.5 44.8 -60.2 -50.5 -5.8 30.2 10.4 36 115 A D H X S+ 0 0 60 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.855 109.5 57.6 -63.5 -35.3 -3.8 27.1 9.7 37 116 A A H X S+ 0 0 0 -4,-1.9 4,-0.7 -5,-0.2 3,-0.3 0.916 110.3 42.8 -61.4 -44.1 -1.5 27.9 12.7 38 117 A F H >X S+ 0 0 6 -4,-2.0 4,-2.3 1,-0.2 3,-0.7 0.869 106.9 61.5 -69.5 -37.3 -4.4 27.9 15.1 39 118 A E H 3X S+ 0 0 99 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.816 94.0 65.7 -59.9 -29.0 -5.9 24.8 13.4 40 119 A L H 3< S+ 0 0 20 -4,-1.4 110,-0.3 -3,-0.3 -1,-0.2 0.913 110.6 34.2 -58.9 -44.8 -2.7 22.9 14.4 41 120 A W H X< S+ 0 0 0 -4,-0.7 3,-1.4 -3,-0.7 6,-0.2 0.849 112.5 60.5 -79.6 -37.0 -3.6 23.3 18.1 42 121 A S H >< S+ 0 0 25 -4,-2.3 3,-1.5 1,-0.3 -2,-0.2 0.887 98.0 57.1 -60.7 -41.8 -7.4 23.0 17.8 43 122 A V T 3< S+ 0 0 99 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.1 0.531 111.6 45.2 -69.9 -0.4 -7.4 19.5 16.2 44 123 A A T < S+ 0 0 14 -3,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.197 119.4 25.7-125.8 16.8 -5.5 18.3 19.3 45 124 A S S < S- 0 0 19 -3,-1.5 114,-0.1 2,-0.2 118,-0.1 -0.897 87.6 -93.9-159.9-176.6 -7.4 19.9 22.1 46 125 A P S S+ 0 0 57 0, 0.0 -4,-0.1 0, 0.0 -34,-0.1 0.539 79.5 126.7 -87.7 -5.7 -10.9 21.3 23.0 47 126 A L - 0 0 4 -6,-0.2 2,-0.4 -34,-0.1 -2,-0.2 -0.205 41.5-165.9 -58.3 135.6 -9.8 24.8 22.0 48 127 A I E -b 13 0B 38 -36,-2.4 -34,-2.9 2,-0.0 2,-0.6 -0.993 5.0-156.2-125.0 125.8 -11.9 26.7 19.5 49 128 A F E -b 14 0B 31 -2,-0.4 2,-0.5 -36,-0.2 -34,-0.2 -0.916 9.2-171.2-109.2 120.3 -10.4 29.8 17.8 50 129 A T E -b 15 0B 9 -36,-2.8 -34,-2.3 -2,-0.6 2,-0.3 -0.930 14.3-139.8-115.1 125.6 -12.8 32.4 16.5 51 130 A R E -b 16 0B 84 -2,-0.5 2,-0.3 -36,-0.2 -34,-0.2 -0.613 18.8-176.7 -85.2 139.6 -11.7 35.4 14.3 52 131 A I - 0 0 31 -36,-2.0 -34,-0.3 -2,-0.3 3,-0.1 -0.966 20.5-153.9-131.5 147.1 -13.3 38.8 14.8 53 132 A S S S+ 0 0 74 -2,-0.3 2,-0.3 1,-0.1 -36,-0.1 0.494 79.2 22.6-100.4 -6.8 -12.5 41.9 12.7 54 133 A Q S S+ 0 0 148 2,-0.0 -1,-0.1 0, 0.0 2,-0.1 -0.985 95.7 36.1-154.2 158.7 -13.3 44.5 15.4 55 134 A G S S- 0 0 44 -2,-0.3 2,-0.6 -3,-0.1 -3,-0.1 -0.347 95.3 -37.8 91.9-175.9 -13.6 44.8 19.1 56 135 A E - 0 0 134 -2,-0.1 2,-0.2 4,-0.0 -2,-0.0 -0.783 59.1-176.7 -93.7 119.6 -11.6 43.2 21.9 57 136 A A - 0 0 1 -2,-0.6 3,-0.2 1,-0.1 -41,-0.2 -0.569 36.1-116.5-105.8 172.4 -10.4 39.6 21.3 58 137 A D S S+ 0 0 36 -43,-0.6 2,-0.6 1,-0.3 -42,-0.2 0.869 105.5 38.3 -76.4 -38.3 -8.5 37.2 23.6 59 138 A I E S-c 16 0B 1 -44,-2.5 -42,-2.0 35,-0.1 2,-0.3 -0.902 73.3-164.2-121.1 105.7 -5.5 37.0 21.3 60 139 A N E -c 17 0B 11 -2,-0.6 35,-2.9 -44,-0.2 2,-0.4 -0.679 6.6-161.7 -85.2 139.6 -4.4 40.1 19.5 61 140 A I E +cd 18 95B 0 -44,-2.6 -42,-3.5 -2,-0.3 -41,-0.6 -0.986 20.7 152.0-124.7 130.6 -2.0 39.6 16.5 62 141 A A E - d 0 96B 0 33,-1.5 35,-2.7 -2,-0.4 2,-0.6 -0.993 41.3-124.4-156.8 160.2 0.1 42.4 15.1 63 142 A F E + d 0 97B 9 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.948 39.0 173.2-110.2 118.0 3.3 43.3 13.2 64 143 A Y E - d 0 98B 70 33,-2.3 35,-2.9 -2,-0.6 36,-0.4 -0.879 24.2-138.9-126.8 160.9 5.5 45.9 15.1 65 144 A Q - 0 0 111 -2,-0.3 33,-0.0 33,-0.2 10,-0.0 -0.938 59.3 -45.8-120.1 138.3 8.9 47.4 14.7 66 145 A R S S+ 0 0 119 -2,-0.4 8,-1.3 7,-0.1 2,-0.3 -0.026 121.9 18.6 42.3-133.0 11.4 48.2 17.5 67 146 A D + 0 0 127 6,-0.2 -2,-0.2 1,-0.1 8,-0.0 -0.509 67.3 163.0 -67.8 124.1 9.7 49.8 20.6 68 147 A H - 0 0 36 -2,-0.3 -1,-0.1 -4,-0.1 -2,-0.1 0.001 61.7 -82.2-135.9 30.2 6.0 49.1 20.4 69 148 A G S S+ 0 0 82 1,-0.0 -2,-0.1 0, 0.0 0, 0.0 0.339 106.9 84.7 93.1 -6.1 4.6 49.8 23.9 70 149 A D S S- 0 0 25 2,-0.1 -3,-0.0 21,-0.0 -1,-0.0 0.234 96.2-110.7-116.4 17.4 5.2 46.6 26.0 71 150 A N S S+ 0 0 159 1,-0.1 -4,-0.1 0, 0.0 0, 0.0 0.593 96.0 96.4 67.1 12.0 8.8 47.1 27.2 72 151 A S - 0 0 56 -6,-0.1 -2,-0.1 11,-0.0 -1,-0.1 -0.750 62.9-164.3-130.9 83.8 10.1 44.3 25.0 73 152 A P - 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