==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-FEB-07 2OY2 . COMPND 2 MOLECULE: NEUTROPHIL COLLAGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.CALDERONE,I.BERTINI,M.FRAGAI,C.LUCHINAT,M.MALETTA,K.J.YEO . 320 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15813.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 53.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.8 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 . 15 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 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 1 1 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 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 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 86 A P 0 0 96 0, 0.0 2,-0.3 0, 0.0 81,-0.1 0.000 360.0 360.0 360.0 134.4 0.2 -2.2 -13.0 2 87 A K - 0 0 81 79,-0.1 2,-0.2 78,-0.1 117,-0.1 -0.985 360.0-101.7-156.6 150.2 3.3 -3.7 -11.3 3 88 A W - 0 0 24 115,-0.3 5,-0.0 -2,-0.3 115,-0.0 -0.498 18.0-157.4 -73.0 141.7 6.7 -2.6 -10.1 4 89 A E S S+ 0 0 164 -2,-0.2 2,-0.4 2,-0.0 -1,-0.1 0.446 76.0 67.8 -99.7 -3.2 9.7 -3.4 -12.4 5 90 A R - 0 0 122 1,-0.1 -2,-0.1 0, 0.0 3,-0.1 -0.892 66.5-153.4-108.9 147.2 12.2 -3.2 -9.5 6 91 A T S S+ 0 0 79 -2,-0.4 36,-2.8 1,-0.1 2,-0.8 0.780 83.3 66.4 -86.2 -33.2 12.3 -5.7 -6.7 7 92 A N E +a 42 0A 75 34,-0.2 2,-0.4 36,-0.1 36,-0.2 -0.827 70.0 178.5 -96.1 105.5 13.9 -3.4 -4.1 8 93 A L E -a 43 0A 0 34,-2.2 36,-2.6 -2,-0.8 2,-0.3 -0.846 17.4-140.1-108.4 142.2 11.4 -0.6 -3.3 9 94 A T E -a 44 0A 30 -2,-0.4 44,-2.5 34,-0.2 2,-0.3 -0.716 14.7-167.8 -99.4 153.7 11.9 2.2 -0.8 10 95 A Y E -ab 45 53A 14 34,-2.1 36,-2.5 -2,-0.3 2,-0.4 -0.961 5.6-161.5-134.9 157.2 9.3 3.7 1.6 11 96 A R E - b 0 54A 34 42,-2.1 44,-2.4 -2,-0.3 2,-0.8 -0.992 15.6-143.7-140.4 126.9 9.2 6.8 3.7 12 97 A I E - b 0 55A 10 34,-0.4 44,-0.2 -2,-0.4 3,-0.1 -0.836 19.4-172.4 -87.2 110.0 6.9 7.5 6.7 13 98 A R - 0 0 98 42,-3.3 2,-0.3 -2,-0.8 43,-0.2 0.795 62.2 -8.0 -81.2 -29.7 6.2 11.2 6.2 14 99 A N - 0 0 54 41,-0.6 2,-0.4 44,-0.0 -1,-0.1 -0.926 68.1-124.1-158.0 176.2 4.4 11.8 9.5 15 100 A Y - 0 0 65 -2,-0.3 6,-0.1 41,-0.1 41,-0.0 -0.978 16.9-119.7-135.6 139.4 2.9 9.9 12.5 16 101 A T > - 0 0 6 -2,-0.4 3,-0.9 1,-0.1 8,-0.1 -0.602 24.2-143.0 -67.7 133.7 -0.3 9.5 14.3 17 102 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.533 87.9 83.2 -75.5 -3.6 0.3 10.6 17.9 18 103 A Q T 3 S+ 0 0 85 2,-0.1 2,-0.3 80,-0.0 -2,-0.0 0.584 94.7 39.7 -78.9 -12.0 -2.0 7.8 19.2 19 104 A L S < S- 0 0 22 -3,-0.9 79,-0.0 79,-0.1 5,-0.0 -0.913 98.5 -94.2-128.0 154.8 0.8 5.2 19.1 20 105 A S > - 0 0 65 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.368 37.9-114.7 -60.3 153.0 4.5 5.4 20.0 21 106 A E H > S+ 0 0 125 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.905 119.4 55.8 -56.1 -39.7 6.7 6.2 17.0 22 107 A A H > S+ 0 0 72 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.889 106.9 48.8 -58.9 -42.6 8.2 2.8 17.4 23 108 A E H > S+ 0 0 70 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.851 110.6 50.0 -69.6 -33.9 4.8 1.1 17.2 24 109 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.951 112.8 47.5 -65.1 -46.5 3.9 3.1 14.0 25 110 A E H X S+ 0 0 35 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.904 113.3 48.2 -61.6 -39.8 7.3 2.0 12.5 26 111 A R H X S+ 0 0 123 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.889 108.8 53.1 -71.5 -39.1 6.7 -1.6 13.5 27 112 A A H X S+ 0 0 10 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.939 114.4 42.6 -56.8 -47.4 3.2 -1.7 12.1 28 113 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.936 115.2 48.4 -66.8 -48.4 4.4 -0.5 8.8 29 114 A K H X S+ 0 0 117 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.929 114.1 46.4 -57.7 -47.6 7.5 -2.7 8.7 30 115 A D H X S+ 0 0 38 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.846 109.1 55.1 -66.6 -35.8 5.5 -5.8 9.6 31 116 A A H X S+ 0 0 0 -4,-2.1 4,-0.8 -5,-0.3 -1,-0.2 0.914 110.5 45.8 -62.3 -43.5 2.8 -5.0 7.0 32 117 A F H >X S+ 0 0 3 -4,-2.2 4,-2.3 1,-0.2 3,-0.8 0.904 107.2 58.9 -63.6 -41.5 5.4 -4.8 4.3 33 118 A E H 3X S+ 0 0 98 -4,-2.2 4,-2.3 1,-0.3 -1,-0.2 0.827 95.0 63.9 -61.2 -31.8 7.0 -8.1 5.5 34 119 A L H 3< S+ 0 0 14 -4,-1.4 -1,-0.3 1,-0.2 110,-0.2 0.898 111.6 36.8 -55.7 -43.6 3.7 -9.9 5.0 35 120 A W H X< S+ 0 0 0 -4,-0.8 3,-1.2 -3,-0.8 6,-0.3 0.827 111.7 59.9 -78.7 -35.3 4.0 -9.2 1.3 36 121 A S H >< S+ 0 0 25 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.873 100.2 55.6 -60.7 -37.7 7.8 -9.7 1.2 37 122 A V T 3< S+ 0 0 108 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.561 112.4 43.3 -77.7 -5.2 7.6 -13.3 2.4 38 123 A A T < S+ 0 0 13 -3,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.182 120.4 32.7-117.3 14.0 5.2 -14.1 -0.5 39 124 A S S < S- 0 0 23 -3,-1.2 114,-0.1 2,-0.2 118,-0.1 -0.892 85.9-100.3-156.1 174.0 7.1 -12.3 -3.3 40 125 A P S S+ 0 0 68 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 0.386 78.8 123.2 -85.4 4.9 10.5 -11.2 -4.5 41 126 A L - 0 0 2 -6,-0.3 2,-0.4 -34,-0.1 -34,-0.2 -0.423 43.7-165.2 -75.7 139.6 10.0 -7.7 -3.2 42 127 A I E -a 7 0A 96 -36,-2.8 -34,-2.2 -2,-0.1 2,-0.5 -0.994 10.7-149.0-123.4 124.3 12.5 -6.2 -0.7 43 128 A F E -a 8 0A 32 -2,-0.4 2,-0.5 -36,-0.2 -34,-0.2 -0.845 11.7-170.3-104.7 129.7 11.4 -3.1 1.2 44 129 A T E -a 9 0A 54 -36,-2.6 -34,-2.1 -2,-0.5 2,-0.3 -0.976 13.6-140.6-124.4 123.5 13.9 -0.5 2.3 45 130 A R E -a 10 0A 94 -2,-0.5 2,-0.3 -36,-0.2 -34,-0.2 -0.634 15.8-171.2 -85.1 136.1 13.1 2.4 4.6 46 131 A I - 0 0 45 -36,-2.5 -34,-0.4 -2,-0.3 3,-0.1 -0.915 18.9-146.0-121.3 154.9 14.5 5.9 4.1 47 132 A S S S+ 0 0 71 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.728 77.1 2.8 -94.0 -24.1 14.2 8.8 6.5 48 133 A Q S S+ 0 0 143 2,-0.1 -1,-0.1 -37,-0.0 2,-0.1 -0.910 97.7 41.5-149.3 171.4 14.0 11.7 4.1 49 134 A G S S- 0 0 41 -2,-0.3 2,-0.7 -3,-0.1 -3,-0.1 -0.342 96.1 -21.2 84.5-162.5 13.8 12.4 0.3 50 135 A E + 0 0 141 -2,-0.1 2,-0.2 4,-0.0 -2,-0.1 -0.780 60.1 176.5-100.4 114.6 12.0 10.6 -2.4 51 136 A A - 0 0 6 -2,-0.7 3,-0.2 1,-0.1 -41,-0.2 -0.685 39.5-119.6-104.7 160.9 10.8 7.0 -1.8 52 137 A D S S+ 0 0 32 -43,-0.3 2,-0.6 -2,-0.2 -42,-0.2 0.926 105.5 39.4 -64.2 -44.7 8.8 4.8 -4.1 53 138 A I E S-b 10 0A 0 -44,-2.5 -42,-2.1 34,-0.1 2,-0.4 -0.912 73.7-163.3-114.8 107.3 6.1 4.5 -1.4 54 139 A N E -b 11 0A 10 -2,-0.6 35,-2.9 -44,-0.2 2,-0.4 -0.752 6.3-164.0 -83.1 139.0 5.1 7.5 0.6 55 140 A I E +bc 12 89A 0 -44,-2.4 -42,-3.3 -2,-0.4 -41,-0.6 -0.988 19.6 155.2-124.8 127.6 3.1 6.8 3.8 56 141 A A E - c 0 90A 1 33,-1.7 35,-2.7 -2,-0.4 2,-0.6 -0.996 41.4-127.3-152.2 156.3 1.3 9.6 5.6 57 142 A F E + c 0 91A 11 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.934 41.9 164.4-103.1 119.4 -1.6 10.4 7.9 58 143 A Y E - c 0 92A 66 33,-2.4 35,-2.8 -2,-0.6 36,-0.4 -0.902 25.5-137.5-133.7 159.8 -3.9 13.1 6.4 59 144 A Q - 0 0 110 -2,-0.3 33,-0.1 33,-0.2 10,-0.0 -0.929 56.0 -38.4-122.9 147.8 -7.4 14.4 7.0 60 145 A R S S+ 0 0 125 -2,-0.4 8,-2.3 7,-0.1 2,-0.4 -0.078 123.6 18.1 47.1-131.5 -10.3 15.4 4.7 61 146 A D + 0 0 138 6,-0.3 -2,-0.2 1,-0.1 8,-0.0 -0.571 69.4 163.7 -70.7 124.2 -9.0 17.2 1.5 62 147 A H - 0 0 35 -2,-0.4 -1,-0.1 -4,-0.1 -2,-0.1 0.022 60.9 -85.2-140.3 29.1 -5.3 16.3 1.2 63 148 A G S S+ 0 0 85 1,-0.0 -2,-0.1 0, 0.0 0, 0.0 0.428 107.1 84.2 93.5 3.2 -4.3 17.1 -2.4 64 149 A D S S- 0 0 29 2,-0.0 -3,-0.0 21,-0.0 -1,-0.0 0.298 94.5-113.2-122.3 8.6 -5.2 14.0 -4.3 65 150 A N S S+ 0 0 161 1,-0.1 -4,-0.1 0, 0.0 0, 0.0 0.572 95.8 95.0 68.6 9.8 -8.9 14.4 -5.2 66 151 A S - 0 0 61 -6,-0.1 -1,-0.1 11,-0.0 -2,-0.0 -0.685 65.9-164.2-121.9 78.3 -9.9 11.5 -2.9 67 152 A P - 0 0 63 0, 0.0 -6,-0.3 0, 0.0 -7,-0.1 -0.256 16.6-119.8 -63.9 147.1 -10.8 13.3 0.3 68 153 A F - 0 0 8 -8,-2.3 7,-0.1 1,-0.1 -9,-0.1 -0.358 15.1-137.9 -77.6 171.9 -11.1 11.4 3.6 69 154 A D - 0 0 69 1,-0.4 -1,-0.1 5,-0.4 -10,-0.1 0.112 35.7-109.5-125.7 17.2 -14.4 11.5 5.4 70 155 A G S S+ 0 0 0 4,-0.1 -1,-0.4 3,-0.0 25,-0.1 -0.338 79.4 7.9 76.9-167.5 -13.7 11.9 9.2 71 156 A P S S- 0 0 79 0, 0.0 24,-0.1 0, 0.0 3,-0.1 -0.134 119.6 -13.6 -52.4 135.9 -14.1 9.2 11.8 72 157 A N S S+ 0 0 82 1,-0.2 -3,-0.3 20,-0.1 2,-0.1 -0.168 99.5 77.8 68.3-161.2 -15.0 5.7 10.4 73 158 A G S S+ 0 0 31 -5,-0.1 88,-2.9 87,-0.0 2,-0.3 -0.412 103.1 23.5 59.8-128.8 -16.1 5.0 6.8 74 159 A I B -E 160 0B 72 86,-0.2 -5,-0.4 1,-0.2 86,-0.3 -0.513 67.3-179.0 -69.4 125.6 -12.9 5.2 4.6 75 160 A L - 0 0 0 84,-3.2 17,-2.8 1,-0.4 2,-0.3 0.745 61.1 -27.3 -95.9 -27.9 -9.9 4.4 6.9 76 161 A A E -D 91 0A 1 83,-1.0 -1,-0.4 15,-0.3 2,-0.3 -0.947 55.9-155.2-175.6 165.2 -7.1 4.7 4.3 77 162 A H E -D 90 0A 34 13,-2.4 13,-2.8 -2,-0.3 2,-0.3 -0.972 4.6-157.8-154.8 165.9 -6.4 4.3 0.6 78 163 A A E -D 89 0A 21 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.991 15.2-122.2-150.1 156.6 -3.5 3.6 -1.7 79 164 A F - 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