==== 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 02-JUL-08 3DNG . 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) . 16049.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 51.2 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 . 20 6.1 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 . 2 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 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 89 0, 0.0 126,-0.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -44.4 -1.2 -10.4 36.5 2 81 A L B -A 126 0A 56 124,-0.4 124,-0.4 126,-0.1 126,-0.1 -0.877 360.0 -93.2-105.9 134.8 -4.4 -8.4 35.8 3 82 A T > - 0 0 17 122,-2.0 3,-1.2 -2,-0.4 124,-0.2 -0.178 52.1-109.2 -46.6 128.8 -4.5 -4.7 36.6 4 83 A P T 3 S+ 0 0 93 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.111 100.8 45.0 -52.7 172.9 -6.1 -4.4 40.1 5 84 A G T 3 S- 0 0 70 1,-0.2 -2,-0.1 -3,-0.1 0, 0.0 0.102 104.2-116.0 76.4 -28.4 -9.6 -3.0 40.5 6 85 A N < + 0 0 135 -3,-1.2 -1,-0.2 1,-0.2 2,-0.2 0.555 56.8 160.3 74.7 10.2 -10.7 -5.2 37.6 7 86 A P + 0 0 36 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.484 12.8 163.2 -69.2 133.5 -11.6 -2.3 35.3 8 87 A K - 0 0 79 -2,-0.2 2,-0.1 78,-0.1 117,-0.1 -0.901 41.7 -88.4-142.2 168.6 -11.7 -3.5 31.6 9 88 A W - 0 0 11 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.481 25.2-152.8 -77.3 152.1 -13.0 -2.5 28.2 10 89 A E S S+ 0 0 148 -2,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.336 74.3 61.7-108.8 4.9 -16.5 -3.7 27.3 11 90 A R - 0 0 132 1,-0.1 3,-0.1 0, 0.0 -2,-0.1 -0.789 68.4-144.5-121.5 167.0 -16.1 -3.8 23.5 12 91 A T S S+ 0 0 73 -2,-0.3 36,-3.3 1,-0.2 2,-0.7 0.583 84.5 68.3-108.8 -15.2 -13.7 -5.9 21.4 13 92 A N E +b 48 0B 53 34,-0.2 2,-0.3 36,-0.1 36,-0.2 -0.911 67.5 176.8-109.6 110.1 -13.0 -3.5 18.7 14 93 A L E -b 49 0B 0 34,-2.1 36,-2.7 -2,-0.7 2,-0.3 -0.843 19.6-137.8-114.2 149.2 -10.9 -0.6 20.0 15 94 A T E -b 50 0B 37 -2,-0.3 44,-2.4 34,-0.2 43,-0.6 -0.739 17.0-171.4-105.7 153.1 -9.4 2.5 18.3 16 95 A Y E -bc 51 59B 17 34,-2.0 36,-2.0 -2,-0.3 2,-0.4 -0.976 5.7-159.7-140.1 154.3 -6.0 4.0 18.8 17 96 A R E - c 0 60B 30 42,-2.4 44,-2.6 -2,-0.3 2,-1.0 -0.969 15.9-144.3-143.0 127.1 -4.3 7.2 17.6 18 97 A I E - c 0 61B 11 -2,-0.4 44,-0.2 34,-0.3 42,-0.1 -0.764 20.9-175.2 -86.0 103.1 -0.6 8.2 17.4 19 98 A R - 0 0 111 42,-2.4 2,-0.3 -2,-1.0 43,-0.2 0.769 61.6 -7.6 -73.7 -30.0 -0.8 11.9 18.3 20 99 A N - 0 0 51 41,-0.5 2,-0.2 2,-0.0 -1,-0.1 -0.910 68.2-129.3-153.6-179.0 2.9 12.8 17.7 21 100 A Y - 0 0 60 -2,-0.3 42,-0.1 42,-0.1 6,-0.1 -0.631 15.3-109.0-131.3-172.5 6.3 11.1 17.0 22 101 A T > - 0 0 6 3,-0.2 3,-1.7 -2,-0.2 8,-0.1 -0.989 18.7-139.1-124.6 128.8 9.9 10.8 17.9 23 102 A P T 3 S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.630 96.1 73.4 -59.0 -15.5 12.8 12.2 15.7 24 103 A Q T 3 S+ 0 0 85 2,-0.1 2,-0.3 80,-0.0 78,-0.0 0.665 103.5 32.2 -76.3 -17.7 14.8 9.1 16.3 25 104 A L S < S- 0 0 19 -3,-1.7 -3,-0.2 79,-0.1 79,-0.0 -0.936 91.6 -99.5-136.0 157.4 12.7 6.9 14.0 26 105 A S > - 0 0 54 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.306 37.3-111.2 -71.0 162.8 10.7 7.5 10.8 27 106 A E H > S+ 0 0 121 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.847 120.3 54.1 -64.2 -32.0 7.0 8.0 11.2 28 107 A A H > S+ 0 0 64 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.834 105.9 50.7 -69.9 -36.1 6.5 4.7 9.4 29 108 A E H > S+ 0 0 72 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.873 111.2 49.6 -69.5 -36.8 8.8 2.8 11.9 30 109 A V H X S+ 0 0 1 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.955 111.8 47.1 -65.2 -49.7 6.8 4.3 14.8 31 110 A E H X S+ 0 0 35 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.857 113.4 49.6 -61.2 -36.0 3.5 3.3 13.3 32 111 A R H X S+ 0 0 136 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.905 107.8 52.7 -71.1 -40.7 4.8 -0.2 12.6 33 112 A A H X S+ 0 0 13 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.894 112.6 45.9 -60.6 -40.4 6.1 -0.7 16.1 34 113 A I H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.926 112.2 50.2 -67.9 -45.7 2.7 0.2 17.5 35 114 A K H X S+ 0 0 102 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.889 113.1 45.9 -60.3 -43.3 0.8 -2.0 15.1 36 115 A D H X S+ 0 0 69 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.867 109.9 54.2 -70.1 -36.6 3.0 -5.0 15.9 37 116 A A H X S+ 0 0 0 -4,-1.7 4,-0.8 -5,-0.2 3,-0.2 0.887 110.2 46.8 -65.4 -38.5 2.8 -4.4 19.6 38 117 A F H X S+ 0 0 5 -4,-2.1 4,-2.0 1,-0.2 3,-0.4 0.850 105.7 61.6 -71.0 -32.1 -1.0 -4.5 19.4 39 118 A E H X S+ 0 0 102 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.818 93.1 63.1 -63.1 -33.4 -0.8 -7.6 17.3 40 119 A L H < S+ 0 0 22 -4,-1.3 110,-0.3 1,-0.2 -1,-0.2 0.900 111.9 36.7 -58.6 -42.7 0.9 -9.6 20.0 41 120 A W H >< S+ 0 0 0 -4,-0.8 3,-1.0 -3,-0.4 6,-0.2 0.830 111.8 60.1 -79.0 -34.0 -2.2 -9.2 22.2 42 121 A S H >< S+ 0 0 22 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.858 99.3 55.6 -64.4 -36.4 -4.7 -9.4 19.4 43 122 A V T 3< S+ 0 0 101 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.1 0.596 110.2 47.0 -74.1 -8.2 -3.7 -13.0 18.4 44 123 A A T < S+ 0 0 14 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.2 0.139 119.4 26.8-117.2 19.3 -4.3 -14.2 21.9 45 124 A S S < S- 0 0 22 -3,-1.2 118,-0.1 2,-0.2 114,-0.1 -0.941 86.1 -96.0-162.8 179.0 -7.7 -12.6 22.5 46 125 A P S S+ 0 0 61 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.553 79.6 123.2 -85.6 -4.9 -10.9 -11.4 20.8 47 126 A L - 0 0 3 -6,-0.2 2,-0.4 -34,-0.1 -34,-0.2 -0.309 42.5-167.6 -62.7 135.7 -9.6 -7.8 20.8 48 127 A I E -b 13 0B 18 -36,-3.3 -34,-2.1 2,-0.0 2,-0.5 -0.992 7.0-154.2-127.4 119.6 -9.3 -6.0 17.4 49 128 A F E -b 14 0B 16 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.837 10.8-174.2-102.0 126.1 -7.3 -2.7 17.2 50 129 A T E -b 15 0B 30 -36,-2.7 -34,-2.0 -2,-0.5 2,-0.3 -0.958 16.1-135.0-122.3 135.9 -8.1 -0.1 14.5 51 130 A R E +b 16 0B 41 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.634 20.7 177.5 -92.1 144.1 -6.1 3.1 13.8 52 131 A I - 0 0 17 -36,-2.0 -34,-0.3 -2,-0.3 191,-0.2 -0.954 20.5-156.7-136.3 152.2 -7.5 6.6 13.2 53 132 A S S S+ 0 0 20 -2,-0.3 2,-0.3 189,-0.2 -36,-0.1 0.319 79.7 32.4-113.0 4.5 -5.6 9.8 12.7 54 133 A Q S S+ 0 0 85 183,-0.1 -1,-0.2 186,-0.1 2,-0.1 -0.981 94.3 39.5-156.9 150.8 -8.3 12.2 13.8 55 134 A G S S- 0 0 40 -2,-0.3 2,-0.9 -3,-0.1 -3,-0.1 -0.259 99.7 -45.9 95.0 172.1 -11.1 12.2 16.3 56 135 A E - 0 0 132 -2,-0.1 -41,-0.1 4,-0.0 2,-0.1 -0.698 59.4-164.9 -85.7 106.0 -11.1 10.7 19.8 57 136 A A - 0 0 3 -2,-0.9 3,-0.2 1,-0.1 -41,-0.2 -0.361 27.6-123.1 -80.7 165.6 -9.6 7.3 19.8 58 137 A D S S+ 0 0 42 -43,-0.6 2,-0.6 1,-0.3 -42,-0.2 0.887 103.3 39.8 -76.1 -38.6 -10.0 4.9 22.7 59 138 A I E S-c 16 0B 0 -44,-2.4 -42,-2.4 35,-0.1 2,-0.4 -0.912 74.4-163.9-118.1 108.3 -6.2 4.6 23.1 60 139 A N E -c 17 0B 9 -2,-0.6 35,-3.2 -44,-0.2 2,-0.4 -0.752 5.1-164.7 -90.9 133.6 -4.1 7.8 22.7 61 140 A I E +cd 18 95B 1 -44,-2.6 -42,-2.4 -2,-0.4 -41,-0.5 -0.959 18.6 157.3-118.2 134.2 -0.4 7.3 22.2 62 141 A A E - d 0 96B 1 33,-1.7 35,-2.5 -2,-0.4 2,-0.6 -0.998 39.0-127.8-158.2 153.8 2.1 10.1 22.6 63 142 A F E + d 0 97B 11 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.917 39.3 166.4-104.9 116.3 5.7 11.1 23.3 64 143 A Y E - d 0 98B 68 33,-2.1 35,-3.2 -2,-0.6 36,-0.4 -0.868 26.9-135.0-129.1 162.2 6.2 13.7 26.1 65 144 A Q - 0 0 108 -2,-0.3 33,-0.1 2,-0.2 10,-0.0 -0.931 60.1 -44.2-120.1 140.7 9.0 15.1 28.3 66 145 A R S S+ 0 0 115 -2,-0.4 8,-1.5 7,-0.1 2,-0.2 -0.075 123.4 20.3 40.8-129.8 9.0 15.7 32.0 67 146 A D + 0 0 132 6,-0.2 -2,-0.2 1,-0.1 8,-0.0 -0.474 66.6 162.5 -67.9 131.2 5.7 17.4 33.1 68 147 A H - 0 0 36 -2,-0.2 -1,-0.1 -4,-0.1 -2,-0.1 -0.017 61.9 -81.4-142.9 35.4 2.9 16.8 30.5 69 148 A G S S+ 0 0 86 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 0.326 108.3 83.1 89.5 -7.9 -0.5 17.4 32.1 70 149 A D S S- 0 0 27 2,-0.1 -1,-0.1 21,-0.0 -3,-0.0 0.166 97.0-111.9-116.8 20.6 -1.4 14.3 34.0 71 150 A N S S+ 0 0 161 1,-0.1 -4,-0.1 0, 0.0 0, 0.0 0.570 94.5 98.7 64.2 9.5 0.5 14.8 37.2 72 151 A S - 0 0 54 -6,-0.1 -1,-0.1 11,-0.0 -2,-0.1 -0.766 60.1-167.2-128.2 84.3 2.9 12.0 36.4 73 152 A P - 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