==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 09-DEC-98 1B3D . COMPND 2 MOLECULE: STROMELYSIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.CHEN,T.J.RYDEL,C.M.DUNAWAY,S.PIKUL,K.M.DUNHAM,F.GU,B.L.BAR . 342 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17182.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 53.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 4.4 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 . 29 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 18.7 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 1 0 0 0 1 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 1 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 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 83 A F 0 0 98 0, 0.0 2,-0.3 0, 0.0 128,-0.1 0.000 360.0 360.0 360.0 152.6 1.8 14.4 17.7 2 84 A R - 0 0 75 126,-0.5 126,-2.0 135,-0.1 2,-0.3 -0.897 360.0-156.8-122.4 153.1 1.9 18.1 17.0 3 85 A T B -A 127 0A 36 -2,-0.3 124,-0.2 124,-0.2 4,-0.1 -0.926 33.7 -96.4-125.4 148.5 4.5 20.7 17.7 4 86 A F > - 0 0 12 122,-1.0 3,-1.7 -2,-0.3 331,-0.1 -0.198 56.5 -78.2 -61.5 157.8 3.9 24.5 18.0 5 87 A P T 3 S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 329,-0.1 -0.325 122.8 20.0 -63.7 138.1 4.4 26.7 14.9 6 88 A G T 3 S- 0 0 81 1,-0.2 -2,-0.1 -3,-0.1 329,-0.0 0.636 114.4-106.2 73.4 15.6 8.1 27.5 14.3 7 89 A I < - 0 0 102 -3,-1.7 2,-0.2 1,-0.2 -1,-0.2 0.798 47.6-163.7 29.6 58.7 8.8 24.4 16.4 8 90 A P + 0 0 40 0, 0.0 2,-0.3 0, 0.0 -4,-0.2 -0.476 19.0 158.7 -72.1 132.5 10.0 26.4 19.4 9 91 A K - 0 0 100 -2,-0.2 2,-0.4 78,-0.1 117,-0.1 -0.835 46.9 -79.3-140.1 175.8 11.9 24.3 22.0 10 92 A W - 0 0 16 115,-0.4 2,-0.2 -2,-0.3 5,-0.0 -0.702 28.4-145.0 -83.4 133.4 14.4 24.9 24.8 11 93 A R S S+ 0 0 238 -2,-0.4 2,-0.3 2,-0.0 -1,-0.1 -0.084 80.3 55.7 -86.9 35.8 17.9 25.5 23.6 12 94 A K S S- 0 0 101 -2,-0.2 -2,-0.1 1,-0.1 3,-0.0 -0.978 71.5-136.7-161.4 153.5 19.2 23.7 26.7 13 95 A T S S+ 0 0 84 -2,-0.3 36,-1.5 1,-0.1 2,-0.6 0.777 86.1 70.0 -86.7 -32.0 18.9 20.3 28.5 14 96 A H E -b 49 0B 82 34,-0.2 2,-0.3 36,-0.0 36,-0.2 -0.821 63.5-179.4 -96.0 122.0 18.6 21.5 32.1 15 97 A L E -b 50 0B 0 34,-2.5 36,-1.4 -2,-0.6 2,-0.3 -0.900 15.3-142.5-119.6 148.6 15.5 23.4 33.1 16 98 A T E -b 51 0B 25 -2,-0.3 44,-2.7 34,-0.2 2,-0.3 -0.762 12.7-166.4-110.0 152.1 14.3 24.9 36.3 17 99 A Y E -bc 52 60B 19 34,-2.4 36,-2.4 -2,-0.3 2,-0.3 -0.941 4.5-167.8-134.6 155.8 10.9 25.1 37.9 18 100 A R E - c 0 61B 59 42,-2.0 44,-3.4 -2,-0.3 2,-1.2 -0.957 18.2-145.2-147.9 124.9 9.3 27.0 40.7 19 101 A I E - c 0 62B 15 34,-0.4 44,-0.2 -2,-0.3 42,-0.1 -0.769 21.3-173.8 -92.2 94.0 6.0 26.4 42.4 20 102 A V + 0 0 66 42,-1.8 2,-0.3 -2,-1.2 43,-0.2 0.815 59.9 0.3 -60.1 -40.6 5.0 30.1 43.1 21 103 A N - 0 0 60 41,-0.8 2,-0.4 -3,-0.1 -1,-0.0 -0.896 68.1-120.8-143.9 177.5 1.9 29.4 45.2 22 104 A Y - 0 0 70 -2,-0.3 6,-0.1 41,-0.1 41,-0.0 -0.953 18.8-118.4-130.4 149.7 -0.3 26.7 46.6 23 105 A T > - 0 0 6 -2,-0.4 3,-0.9 1,-0.1 8,-0.1 -0.513 12.3-140.3 -83.8 139.3 -3.9 25.5 46.4 24 106 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.809 95.7 73.1 -70.7 -15.9 -6.2 25.4 49.4 25 107 A D T 3 S+ 0 0 41 77,-0.1 78,-0.0 75,-0.1 -2,-0.0 0.689 102.8 27.6 -67.0 -26.0 -7.7 22.1 48.1 26 108 A L S < S- 0 0 27 -3,-0.9 79,-0.1 79,-0.1 2,-0.0 -0.949 86.7 -94.7-141.5 155.4 -4.7 20.0 48.9 27 109 A P >> - 0 0 72 0, 0.0 3,-1.0 0, 0.0 4,-1.0 -0.390 41.1-113.2 -69.7 152.5 -1.7 19.7 51.3 28 110 A K H 3> S+ 0 0 136 1,-0.2 4,-1.9 2,-0.2 3,-0.4 0.834 112.6 61.7 -56.7 -31.6 1.6 21.2 50.1 29 111 A D H 3> S+ 0 0 96 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.835 103.0 50.6 -65.5 -31.5 3.3 17.8 49.9 30 112 A A H <> S+ 0 0 4 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.774 107.6 52.1 -76.7 -29.8 0.8 16.5 47.3 31 113 A V H X S+ 0 0 0 -4,-1.0 4,-2.0 -3,-0.4 -2,-0.2 0.910 112.0 46.5 -71.2 -43.7 1.3 19.6 45.0 32 114 A D H X S+ 0 0 27 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.936 115.4 46.5 -64.0 -45.1 5.0 19.1 45.1 33 115 A S H X S+ 0 0 47 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.912 110.2 51.8 -64.3 -46.0 4.7 15.4 44.4 34 116 A A H X S+ 0 0 4 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.887 115.1 43.3 -59.7 -36.7 2.2 15.8 41.6 35 117 A V H X S+ 0 0 2 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.912 114.2 49.2 -74.9 -43.0 4.5 18.3 39.9 36 118 A E H X S+ 0 0 69 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.841 112.1 48.2 -65.6 -34.6 7.7 16.2 40.5 37 119 A K H X S+ 0 0 78 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.841 110.6 53.6 -73.3 -32.1 6.0 13.1 39.1 38 120 A A H X S+ 0 0 0 -4,-1.2 4,-0.6 -5,-0.3 -2,-0.2 0.828 109.2 47.1 -69.3 -35.2 4.8 15.2 36.2 39 121 A L H >X S+ 0 0 2 -4,-1.9 4,-2.0 1,-0.2 3,-1.0 0.918 109.0 56.6 -72.0 -40.9 8.4 16.3 35.5 40 122 A K H 3X S+ 0 0 121 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.852 94.0 64.3 -61.4 -33.4 9.6 12.8 35.8 41 123 A V H 3< S+ 0 0 16 -4,-1.6 -1,-0.2 1,-0.2 4,-0.2 0.845 111.9 38.0 -61.5 -27.5 7.3 11.4 33.1 42 124 A W H X< S+ 0 0 0 -3,-1.0 3,-1.0 -4,-0.6 4,-0.4 0.840 111.3 57.3 -89.5 -34.2 9.2 13.6 30.6 43 125 A E H >< S+ 0 0 62 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.914 98.5 62.5 -61.3 -43.2 12.7 13.2 32.1 44 126 A E T 3< S+ 0 0 144 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.685 111.0 37.0 -56.7 -24.1 12.5 9.4 31.7 45 127 A V T < S+ 0 0 22 -3,-1.0 -1,-0.3 -4,-0.2 -2,-0.2 0.312 119.5 41.2-115.4 12.1 12.2 9.6 27.9 46 128 A T S < S- 0 0 4 -3,-1.5 119,-0.1 -4,-0.4 115,-0.1 -0.950 85.0-107.2-150.1 162.9 14.5 12.6 27.1 47 129 A P S S+ 0 0 36 0, 0.0 2,-0.4 0, 0.0 -4,-0.1 0.240 78.3 126.3 -79.7 18.7 17.9 13.9 28.2 48 130 A L - 0 0 3 -6,-0.3 2,-0.3 -5,-0.2 -2,-0.2 -0.639 38.0-174.7 -79.5 130.8 16.1 16.7 30.1 49 131 A T E -b 14 0B 66 -36,-1.5 -34,-2.5 -2,-0.4 2,-0.3 -0.865 7.7-150.8-122.2 153.8 16.8 17.2 33.8 50 132 A F E -b 15 0B 28 -2,-0.3 2,-0.3 -36,-0.2 -34,-0.2 -0.885 10.9-169.9-128.1 159.3 15.1 19.6 36.2 51 133 A S E -b 16 0B 50 -36,-1.4 -34,-2.4 -2,-0.3 2,-0.3 -0.991 23.1-123.6-143.3 147.9 15.9 21.6 39.4 52 134 A R E -b 17 0B 45 -2,-0.3 2,-0.3 -36,-0.2 -34,-0.2 -0.711 20.6-166.2 -97.9 140.8 13.7 23.4 41.8 53 135 A L - 0 0 55 -36,-2.4 -34,-0.4 -2,-0.3 3,-0.1 -0.879 13.7-168.0-118.7 155.0 14.1 27.1 42.6 54 136 A Y S S+ 0 0 162 -2,-0.3 2,-0.3 1,-0.2 -36,-0.1 0.269 77.2 24.5-125.6 8.3 12.4 29.0 45.5 55 137 A E S S+ 0 0 158 2,-0.0 -1,-0.2 0, 0.0 -35,-0.0 -0.953 100.1 34.6-164.4 159.7 13.3 32.5 44.4 56 138 A G S S- 0 0 44 -2,-0.3 2,-0.6 -3,-0.1 -3,-0.1 -0.128 99.2 -46.9 78.1-179.9 14.1 34.2 41.2 57 139 A E - 0 0 144 4,-0.0 2,-0.2 -3,-0.0 3,-0.1 -0.812 55.3-166.0 -94.9 122.2 12.7 33.4 37.7 58 140 A A - 0 0 8 -2,-0.6 3,-0.3 1,-0.1 -41,-0.1 -0.640 32.1-114.5 -98.6 162.2 12.7 29.8 36.8 59 141 A D S S+ 0 0 29 1,-0.3 2,-0.8 -2,-0.2 -42,-0.2 0.979 110.8 37.6 -60.6 -48.7 12.1 28.5 33.3 60 142 A I E S-c 17 0B 0 -44,-2.7 -42,-2.0 35,-0.1 2,-0.5 -0.850 76.8-168.9-109.3 96.4 8.8 26.9 34.3 61 143 A M E -c 18 0B 22 -2,-0.8 35,-2.2 -3,-0.3 2,-0.5 -0.789 9.0-160.6 -87.8 124.8 6.9 29.0 36.8 62 144 A I E +cd 19 96B 4 -44,-3.4 -42,-1.8 -2,-0.5 -41,-0.8 -0.937 20.5 151.7-113.5 122.2 4.0 27.1 38.3 63 145 A S E - d 0 97B 22 33,-2.1 35,-2.3 -2,-0.5 2,-0.4 -0.947 39.4-119.8-145.9 166.4 1.0 28.7 40.0 64 146 A F E + d 0 98B 13 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.872 38.2 173.4-107.6 137.9 -2.7 28.4 40.8 65 147 A A E - d 0 99B 12 33,-3.4 35,-2.7 -2,-0.4 36,-0.5 -0.959 24.2-152.1-145.1 165.4 -5.1 31.1 39.6 66 148 A V - 0 0 64 -2,-0.3 10,-0.0 33,-0.2 33,-0.0 -0.979 63.5 -39.9-137.9 140.8 -8.7 32.1 39.3 67 149 A R S S+ 0 0 134 -2,-0.3 8,-1.9 7,-0.1 2,-0.5 -0.013 123.9 16.6 41.1-128.0 -10.4 34.4 36.7 68 150 A E S S+ 0 0 137 6,-0.2 -2,-0.2 2,-0.1 2,-0.1 -0.645 78.6 148.7 -79.9 120.7 -8.1 37.3 35.8 69 151 A H - 0 0 44 -2,-0.5 -4,-0.1 2,-0.3 -1,-0.0 -0.282 67.4 -37.2-126.3-147.5 -4.5 36.7 37.0 70 152 A G S S+ 0 0 80 -2,-0.1 2,-0.2 3,-0.1 -2,-0.1 0.478 114.2 50.5 -69.3 7.1 -1.2 37.9 35.5 71 153 A D S S- 0 0 18 2,-0.1 -2,-0.3 21,-0.0 0, 0.0 -0.680 87.1 -96.6-136.8-177.2 -2.2 37.5 31.8 72 154 A F S S+ 0 0 194 -2,-0.2 -2,-0.1 1,-0.2 -4,-0.0 0.374 102.9 73.2 -78.7 1.3 -4.6 38.2 28.9 73 155 A Y - 0 0 81 -6,-0.1 -1,-0.2 267,-0.0 -2,-0.1 -0.732 69.9-164.6-122.8 87.5 -6.3 34.9 29.3 74 156 A P - 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