==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-JUL-01 1JIZ . COMPND 2 MOLECULE: MACROPHAGE ELASTASE MMP-12; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.NAR,K.WERLE,M.M.T.BAUER,H.DOLLINGER,B.JUNG . 332 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16779.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 52.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.6 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 . 16 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 19.6 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 0 2 2 0 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 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 . 2 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 -1 A G 0 0 45 0, 0.0 131,-2.5 0, 0.0 132,-0.1 0.000 360.0 360.0 360.0 101.1 17.9 3.2 74.5 2 1 A F - 0 0 66 129,-0.3 2,-0.3 130,-0.1 129,-0.2 -0.423 360.0-154.6 -72.3 149.0 16.6 5.3 71.7 3 2 A R - 0 0 136 126,-0.3 126,-3.6 -2,-0.1 2,-0.3 -0.910 7.2-139.1-125.7 152.0 16.0 3.6 68.4 4 3 A E B -A 128 0A 100 -2,-0.3 124,-0.2 124,-0.3 126,-0.1 -0.837 38.4 -94.6-106.8 149.6 15.9 4.9 64.8 5 4 A M > - 0 0 33 122,-2.1 3,-2.3 -2,-0.3 124,-0.1 -0.292 57.7 -82.3 -61.0 147.9 13.3 3.7 62.4 6 5 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.257 119.7 24.3 -54.1 132.0 14.4 0.8 60.2 7 6 A G T 3 S- 0 0 86 1,-0.2 -2,-0.1 -3,-0.1 0, 0.0 0.072 111.1-106.5 98.5 -23.8 16.4 1.9 57.3 8 7 A G < - 0 0 23 -3,-2.3 -1,-0.2 1,-0.2 2,-0.2 0.914 47.7-168.8 68.8 44.5 17.4 5.1 59.1 9 8 A P + 0 0 40 0, 0.0 2,-0.3 0, 0.0 -4,-0.2 -0.443 11.2 170.8 -68.6 135.6 15.2 7.5 57.1 10 9 A V - 0 0 57 -2,-0.2 2,-0.3 78,-0.1 117,-0.1 -0.971 40.0-101.6-143.1 156.8 15.9 11.2 57.7 11 10 A W - 0 0 22 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.642 24.7-154.6 -77.0 134.1 14.9 14.5 56.2 12 11 A R S S+ 0 0 242 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.411 74.4 61.7 -91.4 5.1 17.6 15.7 53.9 13 12 A K - 0 0 89 1,-0.1 -2,-0.1 2,-0.0 3,-0.1 -0.840 65.5-149.9-125.8 161.6 16.6 19.3 54.4 14 13 A H S S+ 0 0 92 -2,-0.3 36,-2.9 1,-0.1 2,-1.1 0.719 82.1 77.1-101.3 -30.0 16.3 21.6 57.4 15 14 A Y E +b 50 0B 186 34,-0.2 2,-0.4 36,-0.1 36,-0.2 -0.721 66.3 173.4 -86.8 99.6 13.4 23.8 56.2 16 15 A I E -b 51 0B 1 34,-2.7 36,-2.5 -2,-1.1 2,-0.3 -0.886 17.0-153.7-112.4 138.0 10.4 21.6 56.8 17 16 A T E -b 52 0B 37 -2,-0.4 44,-2.3 34,-0.2 43,-0.9 -0.825 8.8-171.8-110.9 148.8 6.8 22.6 56.4 18 17 A Y E -bc 53 61B 10 34,-2.0 36,-2.3 -2,-0.3 2,-0.4 -0.954 3.0-164.7-134.8 156.5 3.7 21.2 58.1 19 18 A R E - c 0 62B 65 42,-2.2 44,-2.9 -2,-0.3 2,-0.9 -0.999 22.2-129.0-144.5 137.5 0.0 21.8 57.6 20 19 A I E - c 0 63B 13 34,-0.4 44,-0.2 -2,-0.4 3,-0.1 -0.802 19.1-165.5 -90.5 108.4 -2.9 21.0 59.8 21 20 A N - 0 0 83 42,-2.8 2,-0.3 -2,-0.9 43,-0.2 0.852 66.7 -17.5 -60.6 -41.5 -5.3 19.1 57.5 22 21 A N - 0 0 50 41,-0.7 2,-0.4 -3,-0.1 -1,-0.2 -0.966 67.5-111.6-159.6 167.6 -8.3 19.4 59.8 23 22 A Y - 0 0 45 -2,-0.3 6,-0.1 -3,-0.1 41,-0.0 -0.903 22.3-123.1-115.6 139.7 -9.2 20.2 63.4 24 23 A T > - 0 0 2 -2,-0.4 3,-0.7 1,-0.1 8,-0.1 -0.519 18.0-138.0 -72.7 139.7 -10.6 18.0 66.2 25 24 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.626 93.8 78.0 -75.3 -9.9 -13.8 19.4 67.6 26 25 A D T 3 S+ 0 0 48 75,-0.1 2,-0.3 2,-0.1 78,-0.0 0.822 97.5 40.8 -67.3 -33.4 -12.7 18.5 71.1 27 26 A M S < S- 0 0 18 -3,-0.7 2,-0.3 79,-0.1 79,-0.1 -0.726 94.3 -95.2-115.3 165.9 -10.4 21.4 71.3 28 27 A N >> - 0 0 72 -2,-0.3 4,-1.8 1,-0.1 3,-1.1 -0.591 39.7-116.2 -78.1 137.6 -10.5 25.1 70.4 29 28 A R H 3> S+ 0 0 145 -2,-0.3 4,-1.7 1,-0.3 5,-0.1 0.836 113.9 46.7 -42.5 -45.9 -8.9 25.7 67.0 30 29 A E H 3> S+ 0 0 108 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.801 106.3 57.1 -73.0 -27.2 -6.1 27.9 68.4 31 30 A D H <> S+ 0 0 67 -3,-1.1 4,-2.9 2,-0.2 -1,-0.2 0.872 106.6 51.9 -68.6 -34.3 -5.3 25.5 71.2 32 31 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 5,-0.3 0.939 109.4 48.0 -65.2 -47.3 -4.6 22.9 68.5 33 32 A D H X S+ 0 0 27 -4,-1.7 4,-2.7 -5,-0.2 5,-0.2 0.911 113.0 49.6 -59.0 -43.1 -2.3 25.3 66.7 34 33 A Y H X S+ 0 0 125 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.968 109.4 50.9 -60.0 -54.6 -0.5 26.0 70.0 35 34 A A H X S+ 0 0 8 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.927 115.9 40.3 -48.6 -56.4 -0.1 22.3 70.9 36 35 A I H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.900 114.0 52.9 -63.3 -43.3 1.4 21.4 67.5 37 36 A R H X S+ 0 0 122 -4,-2.7 4,-2.2 -5,-0.3 -1,-0.2 0.934 113.1 44.3 -57.5 -48.5 3.5 24.5 67.2 38 37 A K H X S+ 0 0 65 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.810 110.0 56.3 -66.1 -32.3 5.0 23.8 70.6 39 38 A A H X S+ 0 0 0 -4,-1.8 4,-0.6 -5,-0.3 -1,-0.2 0.906 109.1 45.5 -67.6 -41.9 5.5 20.2 69.8 40 39 A F H >X S+ 0 0 4 -4,-2.4 4,-1.7 1,-0.2 3,-1.4 0.915 107.9 58.3 -66.6 -41.7 7.6 21.0 66.8 41 40 A Q H 3X S+ 0 0 71 -4,-2.2 4,-2.6 1,-0.3 -1,-0.2 0.853 93.7 66.7 -55.7 -37.3 9.5 23.5 68.8 42 41 A V H 3< S+ 0 0 20 -4,-1.5 -1,-0.3 1,-0.2 4,-0.2 0.844 110.2 37.1 -53.5 -33.9 10.6 20.8 71.2 43 42 A W H X< S+ 0 0 0 -3,-1.4 3,-0.6 -4,-0.6 6,-0.3 0.762 111.2 58.1 -90.8 -27.1 12.5 19.3 68.3 44 43 A S H >< S+ 0 0 31 -4,-1.7 3,-1.4 1,-0.2 -2,-0.2 0.878 97.6 64.5 -66.8 -40.1 13.7 22.5 66.7 45 44 A N T 3< S+ 0 0 103 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.717 109.9 35.6 -56.4 -26.9 15.4 23.5 70.0 46 45 A V T < S+ 0 0 22 -3,-0.6 -1,-0.3 -4,-0.2 -2,-0.2 0.244 118.3 43.0-115.9 14.3 17.8 20.6 69.8 47 46 A T S < S- 0 0 7 -3,-1.4 119,-0.2 2,-0.2 118,-0.1 -0.918 84.5-104.8-148.6 172.4 18.5 20.3 66.1 48 47 A P S S+ 0 0 30 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 0.346 82.6 118.5 -83.4 9.5 19.3 22.4 63.0 49 48 A L - 0 0 3 -6,-0.3 2,-0.4 -5,-0.1 -2,-0.2 -0.518 46.4-165.4 -80.2 142.3 15.7 21.7 61.9 50 49 A K E -b 15 0B 120 -36,-2.9 -34,-2.7 -2,-0.2 2,-0.5 -0.994 5.0-156.5-130.0 124.9 13.2 24.5 61.4 51 50 A F E -b 16 0B 32 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.887 8.1-171.6-108.8 132.6 9.5 23.9 61.1 52 51 A S E -b 17 0B 68 -36,-2.5 -34,-2.0 -2,-0.5 2,-0.3 -0.978 17.5-135.1-127.5 126.2 7.1 26.3 59.4 53 52 A K E -b 18 0B 68 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.556 23.8-175.5 -78.3 136.1 3.3 26.1 59.3 54 53 A I - 0 0 39 -36,-2.3 -34,-0.4 -2,-0.3 3,-0.1 -0.948 21.3-160.1-130.1 152.8 1.5 26.6 56.0 55 54 A N S S+ 0 0 107 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.592 77.9 33.0-107.6 -15.8 -2.2 26.8 55.3 56 55 A T S S+ 0 0 116 2,-0.1 -1,-0.2 -37,-0.0 2,-0.1 -0.974 96.4 33.9-139.5 152.8 -2.2 26.1 51.5 57 56 A G S S- 0 0 43 -2,-0.3 2,-0.6 -3,-0.1 -3,-0.1 -0.382 98.4 -44.5 96.7-179.2 -0.0 24.0 49.3 58 57 A M - 0 0 178 -2,-0.1 2,-0.2 4,-0.0 -41,-0.1 -0.809 56.6-160.1 -94.9 118.4 1.7 20.7 50.0 59 58 A A - 0 0 22 -2,-0.6 -41,-0.2 1,-0.1 3,-0.1 -0.562 24.4-127.0 -92.3 159.4 3.5 20.5 53.3 60 59 A D S S+ 0 0 32 -43,-0.9 2,-0.5 1,-0.2 -42,-0.2 0.889 102.0 36.5 -70.3 -38.8 6.2 18.0 54.2 61 60 A I E S-c 18 0B 0 -44,-2.3 -42,-2.2 34,-0.1 2,-0.5 -0.964 74.1-161.7-120.1 119.3 4.3 16.9 57.3 62 61 A L E -c 19 0B 44 -2,-0.5 35,-2.6 -44,-0.2 2,-0.5 -0.876 5.9-154.3-103.6 131.0 0.5 16.7 57.3 63 62 A V E +cd 20 97B 3 -44,-2.9 -42,-2.8 -2,-0.5 -41,-0.7 -0.906 23.6 170.5-103.7 124.2 -1.3 16.7 60.6 64 63 A V E - d 0 98B 16 33,-2.5 35,-2.7 -2,-0.5 2,-0.6 -0.992 32.1-144.9-141.9 147.4 -4.7 15.0 60.6 65 64 A F E + d 0 99B 9 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.942 35.6 168.9-108.1 116.3 -7.4 13.8 62.9 66 65 A A E - d 0 100B 13 33,-2.1 35,-2.8 -2,-0.6 36,-0.5 -0.930 27.7-141.2-134.6 157.8 -9.1 10.6 61.7 67 66 A R - 0 0 137 -2,-0.3 33,-0.0 33,-0.2 10,-0.0 -0.900 61.8 -41.1-116.4 140.0 -11.5 7.9 62.8 68 67 A G S S+ 0 0 20 -2,-0.4 8,-2.0 7,-0.1 2,-0.5 -0.057 122.8 14.0 44.4-135.8 -11.2 4.1 62.0 69 68 A A + 0 0 90 6,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.581 69.1 165.8 -71.2 120.1 -10.2 3.4 58.4 70 69 A H - 0 0 44 -2,-0.5 -1,-0.1 -4,-0.1 -2,-0.1 -0.063 60.1 -80.4-131.9 35.3 -8.9 6.6 56.9 71 70 A G S S+ 0 0 81 1,-0.0 -2,-0.1 0, 0.0 4,-0.0 0.710 107.8 83.0 81.7 23.8 -7.1 5.8 53.7 72 71 A D S S- 0 0 15 21,-0.0 -3,-0.0 0, 0.0 -1,-0.0 0.251 96.6-110.1-139.3 11.2 -3.6 4.6 54.7 73 72 A F S S+ 0 0 213 1,-0.1 2,-0.3 0, 0.0 -4,-0.1 0.643 95.9 101.4 65.5 15.4 -4.2 0.9 55.5 74 73 A H - 0 0 93 -6,-0.1 -1,-0.1 11,-0.0 2,-0.1 -0.714 61.4-165.7-127.0 77.4 -3.5 1.7 59.2 75 74 A A - 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0 0 168 -2,-0.3 -2,-0.0 -6,-0.1 -1,-0.0 -0.867 30.6-128.8-148.1 108.0 42.2 47.1 60.5 311 143 B Y + 0 0 68 -2,-0.3 2,-0.3 -35,-0.1 -35,-0.1 -0.248 31.1 167.5 -62.9 142.8 44.1 50.3 61.2 312 144 B V - 0 0 48 -37,-0.1 2,-0.1 5,-0.0 -29,-0.1 -0.960 42.8 -99.7-150.5 139.4 47.7 50.3 62.3 313 145 B D >> - 0 0 71 -2,-0.3 4,-2.2 1,-0.1 3,-0.9 -0.430 28.6-125.5 -66.2 136.0 50.0 53.4 62.5 314 146 B I T 34 S+ 0 0 64 1,-0.3 -1,-0.1 2,-0.2 -39,-0.0 0.834 109.1 58.4 -47.9 -42.0 52.3 53.6 59.5 315 147 B N T 34 S+ 0 0 141 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.900 115.2 36.5 -58.3 -40.8 55.4 53.8 61.8 316 148 B T T <4 S+ 0 0 92 -3,-0.9 -2,-0.2 2,-0.0 -1,-0.2 0.750 93.7 106.9 -85.6 -27.2 54.5 50.5 63.3 317 149 B F < + 0 0 32 -4,-2.2 2,-0.2 -5,-0.1 -4,-0.0 -0.064 37.3 157.0 -53.5 155.2 53.1 48.7 60.2 318 150 B R - 0 0 192 0, 0.0 -3,-0.0 0, 0.0 -2,-0.0 -0.806 46.0 -86.3-179.3 138.3 55.1 45.9 58.5 319 151 B L - 0 0 26 -2,-0.2 2,-0.1 -110,-0.1 -16,-0.1 -0.178 43.8-121.6 -52.9 138.6 54.4 43.0 56.3 320 152 B S > - 0 0 19 1,-0.1 4,-2.2 -18,-0.1 5,-0.2 -0.376 25.8-107.8 -77.8 160.7 53.4 39.7 58.0 321 153 B A H > S+ 0 0 62 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.845 121.3 57.0 -57.0 -34.1 55.5 36.6 57.4 322 154 B D H > S+ 0 0 6 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.936 106.1 47.0 -63.3 -49.5 52.5 35.3 55.4 323 155 B D H > S+ 0 0 1 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.957 115.1 45.7 -58.1 -53.4 52.5 38.3 53.0 324 156 B I H X S+ 0 0 51 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.938 114.3 48.3 -54.9 -50.5 56.3 38.1 52.4 325 157 B R H X S+ 0 0 140 -4,-2.6 4,-0.7 -5,-0.2 -1,-0.2 0.885 115.6 46.4 -58.7 -38.9 56.1 34.4 51.9 326 158 B G H < S+ 0 0 0 -4,-2.7 3,-0.3 -5,-0.2 -2,-0.2 0.912 112.4 46.7 -72.1 -43.8 53.2 34.8 49.5 327 159 B I H >X S+ 0 0 0 -4,-3.3 4,-1.5 1,-0.2 3,-1.0 0.863 113.0 50.2 -67.7 -35.5 54.7 37.6 47.4 328 160 B Q H 3X S+ 0 0 66 -4,-2.4 4,-1.0 -5,-0.3 -1,-0.2 0.669 96.2 68.8 -77.5 -16.3 58.1 35.9 47.1 329 161 B S H 3< S+ 0 0 69 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.600 111.3 36.5 -75.4 -7.5 56.3 32.7 46.0 330 162 B L H <4 S+ 0 0 33 -3,-1.0 -2,-0.2 -4,-0.2 -1,-0.2 0.691 142.8 6.4-110.7 -34.3 55.6 34.8 42.9 331 163 B Y H < S- 0 0 29 -4,-1.5 -3,-0.2 1,-0.1 -2,-0.2 0.475 86.6-165.2-127.2 -13.1 58.7 36.8 42.5 332 164 B G < 0 0 22 -4,-1.0 -1,-0.1 -5,-0.3 -3,-0.1 -0.210 360.0 360.0 59.8-150.4 61.0 35.4 45.1 333 165 B D 0 0 156 -119,-0.2 -1,-0.1 -5,-0.1 -5,-0.1 0.333 360.0 360.0 148.8 360.0 64.2 37.4 46.2