==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 14-SEP-11 3TT4 . COMPND 2 MOLECULE: NEUTROPHIL COLLAGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.A.STURA,V.DIVE,L.DEVEL,B.CZARNY,F.BEAU,L.VERA . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8161.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 81 50.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 10.1 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 . 10 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 20.8 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 84 A G 0 0 106 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 14.8 -11.9 13.5 -34.4 2 85 A N - 0 0 154 1,-0.2 2,-0.4 119,-0.1 120,-0.0 0.894 360.0-175.3 60.9 41.6 -14.2 15.8 -32.5 3 86 A P + 0 0 40 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.580 12.4 161.0 -72.3 122.8 -16.2 12.9 -31.1 4 87 A K - 0 0 94 -2,-0.4 117,-0.1 78,-0.1 2,-0.1 -0.980 43.8 -96.4-144.5 154.3 -19.3 14.2 -29.2 5 88 A W - 0 0 20 -2,-0.3 5,-0.0 115,-0.3 115,-0.0 -0.381 23.4-151.8 -65.5 143.6 -22.6 13.1 -27.8 6 89 A E S S+ 0 0 192 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.285 76.9 60.3-107.5 10.9 -25.5 14.0 -30.1 7 90 A R - 0 0 124 1,-0.1 -2,-0.1 0, 0.0 3,-0.0 -0.973 66.4-149.6-131.9 151.5 -28.1 14.3 -27.2 8 91 A T S S+ 0 0 73 -2,-0.3 36,-3.7 1,-0.1 2,-0.8 0.703 85.2 69.5 -95.0 -22.4 -28.1 16.6 -24.2 9 92 A N E S+a 44 0A 84 34,-0.2 2,-0.3 36,-0.1 36,-0.2 -0.887 70.5 178.1 -96.0 107.3 -29.9 14.3 -21.8 10 93 A L E -a 45 0A 0 34,-2.4 36,-2.7 -2,-0.8 2,-0.3 -0.846 17.3-139.5-110.1 148.5 -27.4 11.5 -21.1 11 94 A T E -a 46 0A 36 -2,-0.3 44,-2.0 34,-0.2 2,-0.3 -0.740 15.1-168.1-104.1 151.1 -28.0 8.5 -18.8 12 95 A Y E -ab 47 55A 13 34,-2.3 36,-2.4 -2,-0.3 2,-0.4 -0.979 7.8-162.2-134.9 159.6 -25.5 6.9 -16.4 13 96 A R E - b 0 56A 33 42,-2.3 44,-2.8 -2,-0.3 2,-0.7 -0.998 14.4-146.1-135.9 131.3 -25.4 3.7 -14.3 14 97 A I E - b 0 57A 8 34,-0.4 44,-0.2 -2,-0.4 3,-0.1 -0.864 20.1-174.1 -89.5 115.1 -23.1 2.9 -11.3 15 98 A R - 0 0 110 42,-3.2 2,-0.3 -2,-0.7 43,-0.2 0.818 58.8 -2.4 -91.7 -30.2 -22.5 -0.8 -11.7 16 99 A N - 0 0 55 41,-0.5 2,-0.3 44,-0.0 -1,-0.1 -0.915 67.8-121.6-149.8 175.7 -20.5 -1.7 -8.6 17 100 A Y - 0 0 59 -2,-0.3 6,-0.1 42,-0.1 42,-0.1 -0.902 16.3-120.6-123.2 153.3 -19.1 -0.0 -5.5 18 101 A T > - 0 0 3 -2,-0.3 3,-0.9 4,-0.1 8,-0.1 -0.761 23.9-133.6 -82.0 139.4 -15.7 0.4 -3.9 19 102 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.672 96.1 73.1 -59.9 -25.5 -15.6 -1.0 -0.2 20 103 A Q T 3 S+ 0 0 77 2,-0.0 2,-0.3 80,-0.0 78,-0.0 0.495 100.6 37.3 -75.7 -0.9 -13.9 2.1 1.1 21 104 A L S < S- 0 0 18 -3,-0.9 79,-0.0 79,-0.1 -3,-0.0 -0.984 89.9-100.1-144.1 146.5 -17.0 4.4 1.0 22 105 A S > - 0 0 57 -2,-0.3 4,-2.1 1,-0.1 -4,-0.1 -0.229 38.1-112.0 -50.4 155.8 -20.7 3.9 1.6 23 106 A E H > S+ 0 0 120 2,-0.2 4,-3.4 1,-0.2 5,-0.1 0.857 120.2 55.0 -56.9 -38.8 -22.8 3.4 -1.5 24 107 A A H > S+ 0 0 71 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.835 106.5 49.9 -68.5 -35.3 -24.4 6.9 -0.8 25 108 A E H > S+ 0 0 70 2,-0.2 4,-2.7 3,-0.2 -1,-0.2 0.894 113.6 46.5 -67.5 -41.9 -20.9 8.5 -0.7 26 109 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.969 114.0 47.4 -61.3 -56.5 -20.1 6.9 -4.1 27 110 A E H X S+ 0 0 35 -4,-3.4 4,-2.2 2,-0.2 -2,-0.2 0.870 113.7 48.6 -45.0 -47.9 -23.5 7.9 -5.5 28 111 A R H X S+ 0 0 135 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.926 110.1 51.2 -63.8 -47.6 -22.9 11.5 -4.1 29 112 A A H X S+ 0 0 11 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.894 113.6 44.1 -55.7 -43.0 -19.4 11.7 -5.6 30 113 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.909 113.7 50.2 -71.4 -43.6 -20.7 10.6 -9.0 31 114 A K H X S+ 0 0 96 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.933 113.2 45.1 -60.2 -48.0 -23.7 12.9 -9.0 32 115 A D H X S+ 0 0 60 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.887 110.1 55.6 -62.8 -38.1 -21.6 16.0 -8.0 33 116 A A H X S+ 0 0 0 -4,-1.8 4,-0.8 -5,-0.3 -2,-0.2 0.916 110.4 44.0 -64.3 -42.4 -19.0 15.2 -10.6 34 117 A F H >X S+ 0 0 4 -4,-2.3 4,-1.5 1,-0.2 3,-0.8 0.903 109.8 58.8 -65.4 -40.6 -21.6 15.1 -13.4 35 118 A E H 3X S+ 0 0 100 -4,-2.4 4,-2.6 1,-0.3 5,-0.2 0.875 95.5 61.9 -60.4 -36.6 -23.2 18.3 -11.9 36 119 A L H 3< S+ 0 0 10 -4,-2.2 110,-0.3 1,-0.3 -1,-0.3 0.888 112.1 38.6 -56.0 -37.8 -19.9 20.3 -12.3 37 120 A W H << S+ 0 0 0 -3,-0.8 3,-0.4 -4,-0.8 6,-0.3 0.759 112.8 56.9 -85.1 -23.7 -20.2 19.7 -16.1 38 121 A S H >< S+ 0 0 24 -4,-1.5 3,-1.7 1,-0.2 -2,-0.2 0.923 100.4 55.6 -74.3 -42.4 -23.9 20.2 -16.2 39 122 A V T 3< S+ 0 0 98 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.1 0.621 112.8 45.5 -66.2 -8.9 -23.9 23.7 -14.7 40 123 A A T 3 S+ 0 0 15 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.2 0.329 119.1 28.0-115.9 5.6 -21.5 24.8 -17.4 41 124 A S S < S- 0 0 21 -3,-1.7 118,-0.1 2,-0.2 114,-0.1 -0.848 86.7 -94.6-152.3 179.4 -23.2 23.2 -20.5 42 125 A P S S+ 0 0 50 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 0.430 82.9 121.1 -82.7 3.3 -26.6 22.1 -22.0 43 126 A L - 0 0 1 -6,-0.3 2,-0.4 -5,-0.1 -2,-0.2 -0.426 43.9-168.8 -79.6 139.5 -26.0 18.5 -20.7 44 127 A I E -a 9 0A 100 -36,-3.7 -34,-2.4 -2,-0.2 2,-0.5 -0.986 9.6-150.9-127.9 126.7 -28.4 16.9 -18.3 45 128 A F E -a 10 0A 31 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.907 10.8-170.3-110.0 128.8 -27.4 13.7 -16.5 46 129 A T E -a 11 0A 63 -36,-2.7 -34,-2.3 -2,-0.5 2,-0.1 -0.946 15.7-133.7-124.1 128.1 -30.0 11.1 -15.5 47 130 A R E -a 12 0A 97 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.441 18.8-176.5 -80.4 143.2 -29.3 8.1 -13.2 48 131 A I - 0 0 49 -36,-2.4 -34,-0.4 -2,-0.1 3,-0.1 -0.975 19.7-151.1-131.2 146.8 -30.6 4.5 -13.9 49 132 A S S S+ 0 0 65 -2,-0.3 2,-0.3 -36,-0.1 -36,-0.1 0.534 77.8 1.7 -92.9 -9.4 -30.0 1.6 -11.5 50 133 A Q S S+ 0 0 144 -37,-0.0 -1,-0.1 0, 0.0 2,-0.1 -0.970 94.8 50.8-163.8 170.5 -30.0 -1.1 -14.3 51 134 A G S S- 0 0 32 -2,-0.3 2,-1.1 1,-0.1 -3,-0.1 -0.372 98.3 -28.1 82.5-165.1 -30.2 -1.7 -18.0 52 135 A E + 0 0 177 -2,-0.1 -1,-0.1 4,-0.0 -41,-0.1 -0.513 63.9 176.6-102.1 71.8 -28.2 0.1 -20.8 53 136 A A - 0 0 9 -2,-1.1 3,-0.2 1,-0.1 -41,-0.1 -0.112 40.1-118.7 -67.8 161.4 -27.1 3.7 -19.8 54 137 A D S S+ 0 0 26 1,-0.2 2,-0.6 -43,-0.2 -42,-0.2 0.864 104.9 39.0 -65.3 -36.9 -24.9 5.9 -22.0 55 138 A I E S-b 12 0A 0 -44,-2.0 -42,-2.3 35,-0.1 2,-0.4 -0.923 71.9-165.2-122.6 105.3 -22.2 6.0 -19.3 56 139 A N E -b 13 0A 22 -2,-0.6 35,-2.8 -44,-0.2 2,-0.4 -0.788 6.2-161.0 -87.8 137.3 -21.4 3.0 -17.3 57 140 A I E +bc 14 91A 0 -44,-2.8 -42,-3.2 -2,-0.4 -41,-0.5 -0.949 20.5 160.9-114.0 129.6 -19.4 3.6 -14.2 58 141 A A E - c 0 92A 1 33,-1.9 35,-2.4 -2,-0.4 2,-0.6 -0.994 37.1-131.5-150.0 149.8 -17.5 0.6 -12.6 59 142 A F E + c 0 93A 8 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.944 39.2 168.9 -99.2 122.1 -14.6 -0.2 -10.1 60 143 A Y E - c 0 94A 70 33,-2.3 35,-2.1 -2,-0.6 36,-0.4 -0.970 27.2-134.9-134.3 155.9 -12.2 -2.9 -11.6 61 144 A Q - 0 0 114 -2,-0.3 33,-0.0 33,-0.2 10,-0.0 -0.870 59.5 -47.9-103.7 140.1 -8.8 -4.4 -10.9 62 145 A R S S+ 0 0 127 -2,-0.4 8,-2.0 7,-0.1 2,-0.2 -0.086 122.7 24.1 47.8-132.9 -5.9 -5.1 -13.3 63 146 A D + 0 0 133 6,-0.3 -2,-0.2 1,-0.1 8,-0.0 -0.392 66.7 161.4 -63.5 122.1 -7.3 -6.9 -16.4 64 147 A H - 0 0 33 -2,-0.2 -1,-0.1 -4,-0.1 -2,-0.1 0.057 61.7 -86.7-141.2 35.9 -11.0 -6.1 -16.9 65 148 A G S S+ 0 0 83 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 0.429 106.2 86.1 88.5 -0.9 -11.9 -6.9 -20.4 66 149 A D S S- 0 0 24 2,-0.1 -1,-0.1 21,-0.0 -3,-0.0 0.354 94.6-113.9-112.9 6.7 -11.2 -3.7 -22.3 67 150 A N S S+ 0 0 156 1,-0.1 -4,-0.1 0, 0.0 0, 0.0 0.614 94.7 93.7 70.1 9.9 -7.5 -4.2 -23.1 68 151 A S - 0 0 54 -6,-0.1 -1,-0.1 11,-0.0 -2,-0.1 -0.741 67.0-161.0-124.0 89.3 -6.3 -1.3 -20.9 69 152 A P - 0 0 60 0, 0.0 -6,-0.3 0, 0.0 2,-0.1 -0.245 14.9-118.9 -69.9 153.7 -5.5 -3.0 -17.7 70 153 A F - 0 0 7 -8,-2.0 7,-0.1 23,-0.1 -9,-0.1 -0.390 18.4-138.3 -83.3 175.6 -5.2 -1.2 -14.4 71 154 A D - 0 0 63 1,-0.5 -10,-0.1 5,-0.4 -1,-0.1 0.063 35.3-102.2-132.3 20.4 -1.9 -1.3 -12.5 72 155 A G S S- 0 0 0 4,-0.1 -1,-0.5 3,-0.0 4,-0.1 -0.219 80.6 -1.8 79.0-178.1 -2.4 -1.7 -8.8 73 156 A P S S- 0 0 81 0, 0.0 24,-0.1 0, 0.0 3,-0.1 -0.110 118.0 -7.0 -57.1 137.5 -2.1 1.1 -6.3 74 157 A N S S+ 0 0 84 1,-0.2 2,-0.3 20,-0.1 -3,-0.2 -0.172 100.7 72.7 69.9-162.6 -1.2 4.7 -7.5 75 158 A G S S+ 0 0 60 -5,-0.1 2,-0.6 2,-0.0 -1,-0.2 -0.513 103.3 28.8 62.5-124.8 -0.2 5.3 -11.2 76 159 A I + 0 0 76 -2,-0.3 -5,-0.4 1,-0.2 3,-0.1 -0.617 66.4 178.6 -65.9 115.2 -3.4 5.0 -13.4 77 160 A L - 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