==== 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 3DPE . COMPND 2 MOLECULE: NEUTROPHIL COLLAGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.POCHETTI,R.MONTANARI,F.MAZZA . 163 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8432.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 85 52.1 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 . 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 . 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 . 12 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.2 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 1 0 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 . 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 . 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 0 184 0, 0.0 2,-2.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 13.3 29.4 -11.4 16.7 2 81 A L + 0 0 158 1,-0.1 159,-0.1 2,-0.0 158,-0.0 -0.174 360.0 38.5 72.0 -45.8 26.9 -12.2 13.8 3 82 A T S > S- 0 0 43 -2,-2.1 3,-1.9 3,-0.1 -1,-0.1 -0.440 80.6-169.0-134.5 62.2 25.9 -8.5 13.4 4 83 A P T 3 S+ 0 0 90 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.207 72.4 20.0 -55.1 134.5 29.1 -6.4 13.8 5 84 A G T 3 S+ 0 0 76 1,-0.2 0, 0.0 0, 0.0 0, 0.0 0.326 94.4 112.2 89.9 -9.7 28.4 -2.7 14.1 6 85 A N < - 0 0 52 -3,-1.9 -1,-0.2 119,-0.1 -3,-0.1 -0.867 60.6-142.0-102.1 111.2 24.8 -3.0 15.1 7 86 A P - 0 0 54 0, 0.0 2,-0.3 0, 0.0 81,-0.1 -0.124 11.9-152.8 -65.5 164.6 24.2 -1.9 18.7 8 87 A K - 0 0 94 78,-0.1 2,-0.2 79,-0.1 117,-0.1 -0.944 23.1-100.2-136.2 157.4 21.8 -3.6 21.1 9 88 A W - 0 0 9 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.518 18.5-148.5 -76.5 147.2 19.9 -2.4 24.1 10 89 A E S S+ 0 0 161 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.721 82.7 51.7 -86.5 -25.6 21.3 -3.2 27.5 11 90 A R - 0 0 119 1,-0.1 -2,-0.1 2,-0.0 3,-0.0 -0.800 66.1-151.6-112.0 156.7 17.9 -3.5 29.1 12 91 A T S S+ 0 0 64 -2,-0.3 36,-2.6 1,-0.1 2,-0.9 0.652 80.0 76.6 -98.5 -21.4 14.9 -5.6 28.0 13 92 A N E +a 48 0A 88 34,-0.2 2,-0.3 36,-0.1 36,-0.2 -0.822 67.1 177.1 -95.8 102.9 12.1 -3.4 29.5 14 93 A L E -a 49 0A 0 34,-2.4 36,-2.5 -2,-0.9 2,-0.3 -0.820 19.3-145.7-109.7 146.2 11.8 -0.4 27.1 15 94 A T E -a 50 0A 38 -2,-0.3 44,-2.3 34,-0.2 2,-0.3 -0.729 15.6-169.5-105.7 157.9 9.4 2.5 27.1 16 95 A Y E -ab 51 59A 14 34,-2.0 36,-2.4 -2,-0.3 2,-0.4 -0.973 8.2-157.3-144.4 156.9 8.0 4.2 24.0 17 96 A R E - b 0 60A 27 42,-2.3 44,-2.7 -2,-0.3 2,-0.9 -0.993 15.3-143.3-141.1 132.8 6.0 7.3 23.2 18 97 A I E - b 0 61A 10 34,-0.5 44,-0.2 -2,-0.4 42,-0.1 -0.848 20.8-171.9 -93.5 105.2 3.9 8.2 20.3 19 98 A R - 0 0 94 42,-3.1 2,-0.3 -2,-0.9 43,-0.2 0.806 60.8 -11.5 -70.5 -35.6 4.7 11.9 19.9 20 99 A N - 0 0 51 41,-0.5 2,-0.2 44,-0.0 -1,-0.1 -0.901 67.0-124.8-153.4-179.4 2.1 12.8 17.3 21 100 A Y - 0 0 67 -2,-0.3 42,-0.1 42,-0.1 6,-0.1 -0.624 14.2-115.0-127.2-174.9 -0.4 11.3 14.9 22 101 A T > - 0 0 5 -2,-0.2 3,-1.4 3,-0.2 8,-0.1 -0.983 16.2-136.0-127.4 136.8 -1.5 11.1 11.3 23 102 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 79,-0.1 0.653 97.9 76.3 -61.8 -16.5 -4.8 12.2 9.8 24 103 A Q T 3 S+ 0 0 90 77,-0.2 2,-0.3 2,-0.0 78,-0.0 0.750 102.6 28.3 -68.3 -27.5 -4.9 9.0 7.8 25 104 A L S < S- 0 0 19 -3,-1.4 -3,-0.2 79,-0.1 2,-0.1 -0.892 89.1 -99.5-132.4 161.7 -5.9 6.8 10.7 26 105 A S > - 0 0 55 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.390 39.9-111.2 -74.1 161.2 -7.8 7.3 14.0 27 106 A E H > S+ 0 0 118 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.887 119.2 53.6 -61.8 -38.0 -5.6 7.8 17.1 28 107 A A H > S+ 0 0 65 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.872 107.3 51.2 -65.0 -36.2 -6.7 4.4 18.4 29 108 A E H > S+ 0 0 72 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.886 110.5 48.3 -69.0 -38.2 -5.7 2.7 15.2 30 109 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.952 113.6 47.6 -65.4 -47.1 -2.2 4.3 15.3 31 110 A E H X S+ 0 0 61 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.900 114.3 45.9 -60.1 -43.1 -1.8 3.3 18.9 32 111 A R H X S+ 0 0 139 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.859 109.5 53.8 -70.9 -36.1 -2.9 -0.3 18.3 33 112 A A H X S+ 0 0 11 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.933 112.7 45.3 -62.9 -43.1 -0.8 -0.7 15.2 34 113 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.926 113.0 49.6 -65.1 -46.7 2.2 0.4 17.2 35 114 A K H X S+ 0 0 108 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.933 114.0 45.0 -58.9 -47.7 1.3 -1.9 20.1 36 115 A D H X S+ 0 0 51 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.869 108.9 56.3 -66.0 -36.6 0.9 -4.9 17.9 37 116 A A H X S+ 0 0 0 -4,-2.2 4,-0.8 -5,-0.2 3,-0.3 0.928 110.7 44.9 -61.8 -42.6 4.1 -4.1 16.0 38 117 A F H >X S+ 0 0 4 -4,-2.2 4,-2.4 1,-0.2 3,-0.9 0.908 107.3 59.6 -66.1 -40.1 5.9 -4.2 19.3 39 118 A E H 3X S+ 0 0 94 -4,-2.2 4,-2.1 1,-0.3 -1,-0.2 0.823 94.4 64.4 -58.1 -32.6 4.1 -7.4 20.3 40 119 A L H 3< S+ 0 0 18 -4,-1.7 110,-0.4 -3,-0.3 -1,-0.3 0.895 112.0 35.6 -57.6 -40.9 5.5 -9.2 17.2 41 120 A W H X< S+ 0 0 0 -3,-0.9 3,-1.3 -4,-0.8 6,-0.2 0.847 111.9 59.3 -81.6 -37.5 8.9 -8.8 18.7 42 121 A S H >< S+ 0 0 21 -4,-2.4 3,-1.3 1,-0.3 -2,-0.2 0.876 99.2 57.3 -62.8 -36.9 8.1 -9.2 22.4 43 122 A V T 3< S+ 0 0 98 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.1 0.596 111.1 44.3 -71.6 -7.3 6.6 -12.7 21.9 44 123 A A T < S+ 0 0 14 -3,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.250 121.3 26.8-118.4 11.0 9.9 -13.9 20.5 45 124 A S S < S- 0 0 21 -3,-1.3 114,-0.1 2,-0.2 118,-0.1 -0.839 88.9 -94.4-154.0-174.5 12.3 -12.3 22.9 46 125 A P S S+ 0 0 53 0, 0.0 -4,-0.1 0, 0.0 -34,-0.1 0.450 78.6 128.3 -90.6 -1.3 12.5 -11.1 26.5 47 126 A L - 0 0 3 -6,-0.2 2,-0.4 -34,-0.1 -34,-0.2 -0.291 38.6-170.3 -61.0 134.5 11.7 -7.6 25.4 48 127 A I E -a 13 0A 100 -36,-2.6 -34,-2.4 -5,-0.0 2,-0.5 -0.997 7.2-155.1-128.6 124.1 8.8 -5.8 27.2 49 128 A F E -a 14 0A 33 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.889 9.6-173.8-107.5 129.6 7.4 -2.5 25.8 50 129 A T E -a 15 0A 65 -36,-2.5 -34,-2.0 -2,-0.5 2,-0.3 -0.978 16.6-136.0-125.2 129.5 5.7 0.0 28.0 51 130 A R E -a 16 0A 88 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.619 17.0-172.7 -89.5 139.1 4.0 3.2 26.7 52 131 A I - 0 0 49 -36,-2.4 -34,-0.5 -2,-0.3 5,-0.1 -0.900 19.2-146.2-123.9 155.6 4.2 6.6 28.3 53 132 A S S S+ 0 0 81 -2,-0.3 2,-0.3 -36,-0.1 -1,-0.1 0.695 77.5 7.4 -95.0 -23.4 2.3 9.8 27.3 54 133 A Q S S+ 0 0 141 2,-0.0 -1,-0.1 -37,-0.0 2,-0.1 -0.905 96.7 44.2-148.2 173.7 4.9 12.5 27.9 55 134 A G S S- 0 0 43 -2,-0.3 2,-0.8 -3,-0.1 -3,-0.1 -0.326 97.5 -34.7 84.1-168.6 8.6 12.8 28.7 56 135 A E - 0 0 136 -2,-0.1 2,-0.2 4,-0.0 -1,-0.1 -0.825 59.2-178.2-100.2 106.7 11.5 10.9 27.3 57 136 A A - 0 0 6 -2,-0.8 3,-0.2 1,-0.1 -41,-0.2 -0.473 39.8-111.8 -92.3 168.0 10.8 7.3 26.5 58 137 A D S S+ 0 0 38 -43,-0.3 2,-0.6 1,-0.2 -42,-0.2 0.921 108.9 39.9 -66.5 -43.5 13.5 5.0 25.1 59 138 A I E S-b 16 0A 0 -44,-2.3 -42,-2.3 35,-0.1 2,-0.3 -0.900 74.1-162.0-115.2 108.6 11.7 4.8 21.7 60 139 A N E -b 17 0A 8 -2,-0.6 35,-3.0 -44,-0.2 2,-0.4 -0.685 8.8-165.6 -83.0 137.3 10.2 8.0 20.3 61 140 A I E +bc 18 95A 0 -44,-2.7 -42,-3.1 -2,-0.3 -41,-0.5 -0.994 19.9 149.6-127.0 128.5 7.7 7.4 17.6 62 141 A A E - c 0 96A 0 33,-1.7 35,-2.9 -2,-0.4 2,-0.6 -0.997 43.3-123.0-157.3 159.9 6.5 10.2 15.4 63 142 A F E + c 0 97A 8 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.934 39.3 168.2-106.2 123.1 5.3 11.3 12.0 64 143 A Y E - c 0 98A 63 33,-2.3 35,-2.8 -2,-0.6 36,-0.4 -0.933 26.2-133.1-134.3 158.9 7.4 13.9 10.2 65 144 A Q - 0 0 105 -2,-0.3 33,-0.1 2,-0.2 10,-0.0 -0.876 59.3 -45.7-114.9 142.1 7.6 15.4 6.7 66 145 A R S S+ 0 0 115 -2,-0.4 8,-2.0 7,-0.1 2,-0.3 -0.016 123.3 21.4 39.7-126.4 10.8 16.0 4.7 67 146 A D + 0 0 130 6,-0.3 -2,-0.2 1,-0.1 8,-0.0 -0.537 67.5 162.2 -68.6 130.6 13.5 17.6 6.8 68 147 A H - 0 0 37 -2,-0.3 -1,-0.1 -4,-0.1 -2,-0.1 0.044 62.6 -81.1-143.2 32.5 12.8 16.9 10.5 69 148 A G S S+ 0 0 85 1,-0.0 -2,-0.1 0, 0.0 0, 0.0 0.376 108.8 83.1 91.6 -4.6 16.0 17.5 12.4 70 149 A D S S- 0 0 31 2,-0.0 -3,-0.0 21,-0.0 -1,-0.0 0.144 95.3-114.7-119.3 21.0 18.1 14.3 12.0 71 150 A N S S+ 0 0 164 1,-0.1 -4,-0.1 0, 0.0 0, 0.0 0.605 94.7 100.0 59.4 13.3 19.8 15.0 8.6 72 151 A S - 0 0 51 -6,-0.1 -1,-0.1 11,-0.0 -2,-0.0 -0.675 62.5-167.3-126.3 73.0 17.8 12.1 7.2 73 152 A P - 0 0 64 0, 0.0 -6,-0.3 0, 0.0 -7,-0.1 -0.231 17.3-121.5 -64.8 147.9 14.9 13.8 5.4 74 153 A F - 0 0 7 -8,-2.0 7,-0.1 23,-0.1 -9,-0.1 -0.405 16.4-132.6 -82.3 169.2 11.9 12.0 4.1 75 154 A D - 0 0 71 1,-0.4 -1,-0.1 5,-0.4 -10,-0.1 0.041 36.7-109.6-116.3 25.2 11.0 12.2 0.4 76 155 A G S S+ 0 0 0 3,-0.1 -1,-0.4 4,-0.1 24,-0.1 -0.260 79.4 9.0 78.6-170.1 7.3 13.1 0.1 77 156 A P S S- 0 0 83 0, 0.0 24,-0.1 0, 0.0 3,-0.1 -0.070 119.3 -17.0 -47.3 136.5 4.6 10.6 -1.1 78 157 A N S S+ 0 0 82 1,-0.2 2,-0.3 20,-0.1 -3,-0.2 -0.069 101.3 77.3 61.5-163.2 5.8 6.9 -1.6 79 158 A G S S+ 0 0 59 -5,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.516 98.9 29.4 67.9-125.1 9.4 6.0 -1.8 80 159 A I - 0 0 84 -2,-0.3 -5,-0.4 1,-0.2 3,-0.1 -0.551 66.3-177.5 -69.3 124.7 10.9 6.0 1.7 81 160 A L - 0 0 22 -2,-0.4 17,-2.9 1,-0.3 2,-0.3 0.813 56.9 -38.7 -95.3 -32.6 8.2 5.2 4.2 82 161 A A E -D 97 0A 10 15,-0.3 -1,-0.3 -19,-0.0 2,-0.3 -0.963 50.3-148.3-174.4 177.7 10.0 5.5 7.5 83 162 A H E -D 96 0A 29 13,-2.4 13,-3.2 -2,-0.3 2,-0.3 -0.976 5.0-154.3-161.6 158.0 13.2 4.9 9.3 84 163 A A E -D 95 0A 19 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.994 17.9-121.8-141.4 148.1 14.5 4.0 12.7 85 164 A F - 0 0 56 9,-2.7 8,-0.4 -2,-0.3 3,-0.1 -0.664 33.5-108.9 -90.8 141.9 17.7 4.5 14.7 86 165 A Q - 0 0 50 -2,-0.3 7,-1.2 6,-0.2 8,-0.2 -0.187 58.6 -63.1 -62.1 159.3 19.7 1.6 16.1 87 166 A P S S+ 0 0 9 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.080 85.4 100.1 -47.8 137.0 19.7 1.1 19.9 88 167 A G - 0 0 32 4,-0.3 2,-0.1 35,-0.1 -3,-0.0 -0.925 69.5 -63.7 163.8 174.0 21.3 3.8 21.9 89 168 A Q S > S+ 0 0 173 -2,-0.3 3,-1.9 2,-0.1 2,-0.3 -0.313 99.7 4.3 -77.8 165.1 20.7 6.9 24.1 90 169 A G T 3 S+ 0 0 48 1,-0.3 -2,-0.1 -2,-0.1 4,-0.1 -0.417 142.0 5.5 65.2-119.3 19.1 10.1 22.7 91 170 A I T > S+ 0 0 74 -2,-0.3 3,-2.2 2,-0.1 -6,-0.3 0.737 104.5 116.9 -70.2 -20.9 17.9 9.6 19.1 92 171 A G T < S+ 0 0 7 -3,-1.9 -4,-0.3 1,-0.3 -32,-0.2 -0.154 81.1 11.5 -50.6 135.2 18.9 5.9 19.3 93 172 A G T 3 S+ 0 0 0 -7,-1.2 -1,-0.3 -8,-0.4 30,-0.1 0.221 92.9 138.4 82.0 -17.2 16.0 3.6 18.9 94 173 A D < - 0 0 8 -3,-2.2 -9,-2.7 -8,-0.2 2,-0.5 -0.323 40.1-151.6 -66.3 144.7 13.7 6.3 17.7 95 174 A A E -cD 61 84A 0 -35,-3.0 -33,-1.7 -11,-0.2 2,-0.4 -0.968 9.3-168.5-121.5 129.1 11.4 5.6 14.8 96 175 A H E -cD 62 83A 9 -13,-3.2 -13,-2.4 -2,-0.5 2,-0.4 -0.937 4.2-158.5-119.0 139.7 10.1 8.2 12.4 97 176 A F E -cD 63 82A 0 -35,-2.9 -33,-2.3 -2,-0.4 2,-0.6 -0.935 30.4-105.7-118.9 139.5 7.3 7.7 9.8 98 177 A D E > -c 64 0A 0 -17,-2.9 3,-1.7 -2,-0.4 -33,-0.2 -0.478 25.0-156.6 -66.5 111.9 6.8 9.8 6.7 99 178 A A T 3 S+ 0 0 35 -35,-2.8 -34,-0.2 -2,-0.6 -1,-0.2 0.594 86.6 66.9 -65.3 -12.8 3.8 12.1 7.4 100 179 A E T 3 S+ 0 0 50 -36,-0.4 -1,-0.3 -24,-0.1 2,-0.2 0.425 82.9 98.7 -89.9 3.3 3.1 12.5 3.7 101 180 A E S < S- 0 0 5 -3,-1.7 2,-1.2 -20,-0.1 -77,-0.2 -0.530 82.3-115.0 -89.3 156.7 2.1 8.8 3.3 102 181 A T - 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