==== 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 2OY4 . 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 . 314 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15761.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 51.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 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 . 11 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 21.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 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 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 86 A P 0 0 94 0, 0.0 2,-0.3 0, 0.0 81,-0.1 0.000 360.0 360.0 360.0 108.9 0.9 -15.1 -6.7 2 87 A K - 0 0 91 78,-0.1 117,-0.1 79,-0.1 116,-0.1 -0.933 360.0 -99.9-132.8 153.3 4.0 -14.5 -4.5 3 88 A W - 0 0 23 115,-0.3 5,-0.0 -2,-0.3 115,-0.0 -0.332 19.1-154.7 -71.7 151.3 7.4 -12.8 -4.8 4 89 A E S S+ 0 0 153 -2,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.591 74.8 56.3-103.7 -17.1 10.5 -15.0 -5.4 5 90 A R - 0 0 132 1,-0.1 -2,-0.0 2,-0.0 3,-0.0 -0.826 69.0-143.6-116.5 155.0 13.2 -12.7 -3.9 6 91 A T S S+ 0 0 74 -2,-0.3 36,-3.0 1,-0.1 2,-0.8 0.825 84.6 70.5 -89.0 -32.3 13.2 -11.3 -0.4 7 92 A N E -a 42 0A 72 34,-0.2 2,-0.3 36,-0.1 36,-0.2 -0.764 67.0-179.6 -95.2 106.4 14.7 -7.9 -1.2 8 93 A L E -a 43 0A 0 34,-2.5 36,-2.5 -2,-0.8 2,-0.3 -0.809 15.4-142.6-110.3 145.2 12.2 -5.8 -3.0 9 94 A T E -a 44 0A 34 -2,-0.3 44,-2.7 34,-0.2 2,-0.3 -0.802 14.4-168.8-107.5 147.2 12.6 -2.2 -4.4 10 95 A Y E -ab 45 53A 18 34,-2.5 36,-2.6 -2,-0.3 2,-0.4 -0.949 6.7-162.1-132.5 157.2 10.0 0.6 -4.4 11 96 A R E - b 0 54A 35 42,-2.1 44,-3.0 -2,-0.3 2,-0.7 -0.981 15.3-146.6-139.8 128.3 9.7 4.0 -6.0 12 97 A I E - b 0 55A 11 34,-0.4 44,-0.2 -2,-0.4 3,-0.1 -0.843 19.9-172.6 -87.0 113.7 7.3 7.0 -5.2 13 98 A R - 0 0 97 42,-3.0 2,-0.3 -2,-0.7 43,-0.2 0.845 61.6 -7.1 -83.7 -35.6 6.8 8.4 -8.7 14 99 A N - 0 0 52 41,-0.4 2,-0.2 44,-0.0 -1,-0.2 -0.918 68.4-127.7-153.5 175.1 4.9 11.6 -7.6 15 100 A Y - 0 0 64 -2,-0.3 42,-0.1 -3,-0.1 6,-0.1 -0.682 16.7-114.5-125.1 168.5 3.3 13.2 -4.6 16 101 A T > - 0 0 8 -2,-0.2 3,-0.7 4,-0.1 8,-0.1 -0.897 22.2-143.3 -96.2 142.2 0.2 14.8 -3.2 17 102 A P T 3 S+ 0 0 131 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.403 88.0 80.3 -85.4 2.2 0.5 18.5 -2.4 18 103 A Q T 3 S+ 0 0 81 2,-0.1 2,-0.3 80,-0.0 78,-0.0 0.486 98.3 39.9 -81.6 -8.3 -1.7 18.4 0.8 19 104 A L S < S- 0 0 26 -3,-0.7 -3,-0.1 79,-0.1 5,-0.1 -0.972 96.9 -95.1-137.5 151.7 1.2 17.0 2.9 20 105 A S > - 0 0 60 -2,-0.3 4,-1.7 1,-0.1 5,-0.2 -0.247 35.8-116.0 -61.0 151.5 4.9 17.8 3.0 21 106 A E H > S+ 0 0 117 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.892 119.1 58.2 -56.9 -38.8 7.2 15.5 0.8 22 107 A A H > S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.922 105.8 47.9 -47.8 -51.8 8.7 14.4 4.2 23 108 A E H > S+ 0 0 18 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.763 110.5 50.2 -71.3 -31.0 5.3 13.3 5.5 24 109 A V H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 5,-0.2 0.915 112.9 47.1 -67.0 -47.5 4.4 11.3 2.3 25 110 A E H X S+ 0 0 55 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.910 112.1 50.7 -62.5 -39.2 7.8 9.5 2.4 26 111 A R H X S+ 0 0 45 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.878 108.8 50.7 -66.2 -42.2 7.3 8.7 6.1 27 112 A A H X S+ 0 0 13 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.891 113.4 45.3 -61.7 -43.5 3.8 7.3 5.6 28 113 A I H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.908 113.4 50.6 -65.9 -44.6 5.1 5.0 2.8 29 114 A K H X S+ 0 0 119 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.954 112.6 44.6 -56.6 -52.2 8.1 3.9 4.8 30 115 A D H X S+ 0 0 55 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.913 109.8 57.1 -64.9 -42.6 6.1 3.1 7.9 31 116 A A H X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.907 109.8 44.2 -51.0 -49.4 3.5 1.2 5.8 32 117 A F H >X S+ 0 0 4 -4,-2.3 4,-1.9 1,-0.2 3,-0.8 0.901 108.5 59.3 -62.3 -39.1 6.2 -1.1 4.4 33 118 A E H 3X S+ 0 0 100 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.864 95.1 63.4 -58.5 -35.4 7.7 -1.5 7.9 34 119 A L H 3< S+ 0 0 17 -4,-1.9 110,-0.3 1,-0.2 -1,-0.2 0.882 112.0 36.1 -59.0 -39.9 4.4 -3.0 9.2 35 120 A W H X< S+ 0 0 0 -3,-0.8 3,-1.1 -4,-0.8 -1,-0.2 0.759 110.7 62.4 -85.3 -31.1 4.8 -6.0 6.8 36 121 A S H >< S+ 0 0 32 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.795 98.1 56.5 -61.8 -34.1 8.6 -6.2 7.1 37 122 A V T 3< S+ 0 0 107 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.1 0.546 112.8 41.5 -77.9 -3.4 8.4 -7.0 10.8 38 123 A A T < S+ 0 0 14 -3,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.168 116.9 37.6-128.7 12.7 6.2 -10.1 10.1 39 124 A S S < S- 0 0 18 -3,-0.7 114,-0.1 2,-0.2 118,-0.1 -0.919 81.9-107.4-152.7 170.6 7.8 -11.6 7.0 40 125 A P S S+ 0 0 64 0, 0.0 -4,-0.1 0, 0.0 -34,-0.0 0.520 79.7 117.2 -78.2 -10.5 11.3 -12.2 5.5 41 126 A L - 0 0 3 -6,-0.2 2,-0.4 -34,-0.1 -34,-0.2 -0.320 49.4-160.2 -68.4 142.9 10.7 -9.5 2.8 42 127 A I E -a 7 0A 90 -36,-3.0 -34,-2.5 2,-0.0 2,-0.4 -0.997 7.8-147.2-124.9 126.5 13.1 -6.5 2.9 43 128 A F E -a 8 0A 31 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.823 13.0-172.0-107.7 130.3 12.1 -3.2 1.2 44 129 A T E -a 9 0A 57 -36,-2.5 -34,-2.5 -2,-0.4 2,-0.4 -0.956 17.0-134.9-123.9 123.2 14.6 -0.8 -0.5 45 130 A R E -a 10 0A 97 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.666 18.9-172.5 -81.9 132.1 13.8 2.8 -1.8 46 131 A I - 0 0 50 -36,-2.6 -34,-0.4 -2,-0.4 5,-0.1 -0.891 16.5-150.5-114.3 155.2 15.1 3.9 -5.2 47 132 A S S S+ 0 0 93 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.819 76.0 11.2 -93.3 -35.3 14.7 7.5 -6.7 48 133 A Q S S+ 0 0 149 2,-0.1 -1,-0.1 -37,-0.0 2,-0.1 -0.853 98.1 39.3-135.3 171.2 14.6 6.9 -10.4 49 134 A G S S- 0 0 43 -2,-0.3 2,-0.7 -3,-0.1 -3,-0.1 -0.333 94.8 -35.1 85.9-167.3 14.1 3.9 -12.8 50 135 A E - 0 0 133 -2,-0.1 2,-0.2 4,-0.0 -2,-0.1 -0.856 58.2-178.4-104.0 110.9 12.0 0.8 -12.6 51 136 A A - 0 0 5 -2,-0.7 3,-0.2 1,-0.1 -41,-0.1 -0.601 40.9-110.4 -97.8 164.0 11.4 -0.7 -9.1 52 137 A D S S+ 0 0 37 1,-0.2 2,-0.6 -2,-0.2 -42,-0.2 0.931 111.2 38.3 -59.7 -44.2 9.4 -3.9 -8.2 53 138 A I E S-b 10 0A 0 -44,-2.7 -42,-2.1 35,-0.1 2,-0.4 -0.879 74.0-165.2-118.1 104.1 6.7 -1.7 -6.5 54 139 A N E -b 11 0A 7 -2,-0.6 35,-2.3 -3,-0.2 2,-0.4 -0.717 6.1-161.7 -82.4 131.2 5.8 1.6 -8.2 55 140 A I E +bc 12 89A 1 -44,-3.0 -42,-3.0 -2,-0.4 -41,-0.4 -0.929 21.0 157.9-115.3 131.8 3.7 4.1 -6.0 56 141 A A E - c 0 90A 0 33,-1.4 35,-2.6 -2,-0.4 2,-0.5 -0.993 38.5-132.6-155.2 151.3 1.8 6.9 -7.7 57 142 A F E + c 0 91A 10 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.960 40.9 158.9-101.7 126.6 -1.1 9.3 -7.3 58 143 A Y E - c 0 92A 64 33,-2.5 35,-2.4 -2,-0.5 2,-0.3 -0.938 28.1-130.3-151.2 162.0 -3.4 9.5 -10.3 59 144 A Q - 0 0 111 -2,-0.3 33,-0.1 2,-0.2 -2,-0.0 -0.897 54.4 -42.5-127.1 146.0 -6.9 10.5 -11.3 60 145 A R S S+ 0 0 123 -2,-0.3 8,-1.5 7,-0.1 2,-0.2 -0.092 122.3 21.5 41.1-133.5 -9.9 9.0 -13.2 61 146 A D + 0 0 146 6,-0.2 -2,-0.2 1,-0.1 8,-0.0 -0.451 69.8 159.5 -69.6 119.1 -8.5 7.3 -16.4 62 147 A H - 0 0 35 -2,-0.2 -1,-0.1 -4,-0.1 -2,-0.1 -0.025 62.0 -86.5-135.5 32.4 -4.8 6.5 -15.8 63 148 A G S S+ 0 0 88 1,-0.0 -2,-0.1 0, 0.0 0, 0.0 0.428 103.8 86.0 95.6 -3.9 -3.8 3.7 -18.2 64 149 A D S S- 0 0 27 2,-0.1 -1,-0.0 21,-0.0 -3,-0.0 0.431 93.6-110.8-117.4 2.0 -4.7 0.5 -16.4 65 150 A N S S+ 0 0 166 1,-0.1 -4,-0.1 0, 0.0 0, 0.0 0.623 98.9 90.9 72.8 15.4 -8.4 -0.3 -17.2 66 151 A S - 0 0 52 -6,-0.1 -2,-0.1 11,-0.0 -1,-0.1 -0.723 66.0-166.2-133.1 82.8 -9.4 0.4 -13.6 67 152 A P - 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