==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-NOV-07 3BA0 . COMPND 2 MOLECULE: MACROPHAGE METALLOELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.BERTINI,V.CALDERONE,M.FRAGAI,R.JAISWAL,C.LUCHINAT, . 365 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19121.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 201 55.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 18.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 . 3 0.8 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 . 41 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 2 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 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 PARALLEL BRIDGES PER LADDER . 0 2 2 3 3 3 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 . 1 0 4 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 1 106 A G 0 0 98 0, 0.0 2,-0.1 0, 0.0 121,-0.0 0.000 360.0 360.0 360.0-146.3 -31.7 -45.8 26.1 2 107 A P - 0 0 88 0, 0.0 2,-0.3 0, 0.0 154,-0.0 -0.208 360.0-139.1 -86.3-161.8 -31.4 -42.7 24.0 3 108 A V - 0 0 64 78,-0.1 2,-0.3 -2,-0.1 117,-0.1 -0.927 26.3 -75.2-152.5 174.0 -27.9 -41.8 22.4 4 109 A W - 0 0 28 115,-0.4 2,-1.4 -2,-0.3 5,-0.0 -0.532 31.0-148.5 -83.0 130.1 -25.7 -38.7 21.8 5 110 A R S S+ 0 0 244 -2,-0.3 2,-0.3 0, 0.0 -1,-0.1 -0.399 71.9 74.0-100.8 55.1 -26.8 -36.4 19.0 6 111 A K - 0 0 93 -2,-1.4 3,-0.1 1,-0.2 -2,-0.1 -0.951 68.6-143.9-162.4 135.7 -23.4 -35.3 18.0 7 112 A H S S+ 0 0 93 -2,-0.3 36,-0.4 1,-0.2 2,-0.4 0.981 94.0 52.2 -56.5 -72.9 -20.5 -36.9 16.2 8 113 A Y - 0 0 145 34,-0.2 2,-0.2 36,-0.0 -1,-0.2 -0.640 69.0-177.8 -83.1 132.2 -17.8 -35.0 18.7 9 114 A I E -a 44 0A 4 34,-0.8 36,-0.9 -2,-0.4 2,-0.3 -0.738 12.6-138.7-133.3 146.8 -18.2 -35.4 22.5 10 115 A T E -a 45 0A 33 -2,-0.2 44,-3.3 34,-0.2 2,-0.3 -0.890 11.5-170.2-113.0 153.2 -16.1 -33.9 25.6 11 116 A Y E -ab 46 54A 6 34,-3.6 36,-2.2 -2,-0.3 2,-0.4 -0.959 3.8-167.5-137.9 154.2 -14.8 -35.1 28.8 12 117 A R E - b 0 55A 78 42,-1.5 44,-1.5 -2,-0.3 2,-1.0 -0.971 23.0-135.0-134.0 123.4 -13.2 -33.4 31.7 13 118 A I E - b 0 56A 12 -2,-0.4 44,-0.1 34,-0.3 3,-0.1 -0.699 25.7-167.4 -84.1 106.9 -11.5 -35.3 34.5 14 119 A N - 0 0 75 42,-1.8 2,-0.3 -2,-1.0 -1,-0.2 0.766 57.6 -13.2 -70.5 -44.0 -13.0 -33.4 37.4 15 120 A N - 0 0 62 41,-0.3 2,-0.3 -3,-0.1 -1,-0.2 -0.934 66.6-118.3-158.3 165.6 -10.9 -34.5 40.2 16 121 A Y - 0 0 50 -2,-0.3 6,-0.1 -3,-0.1 42,-0.1 -0.823 18.0-125.3-112.9 134.2 -8.4 -37.2 41.0 17 122 A T > - 0 0 4 -2,-0.3 3,-1.1 4,-0.1 4,-0.2 -0.555 21.7-132.3 -67.8 144.0 -8.4 -40.0 43.5 18 123 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.265 98.6 90.5 -88.0 17.6 -5.3 -39.9 45.7 19 124 A D T 3 S+ 0 0 49 77,-0.1 78,-0.0 2,-0.1 -2,-0.0 0.513 91.8 146.9 -73.5 -12.5 -4.8 -43.6 45.0 20 125 A M < + 0 0 106 -3,-1.1 2,-0.2 79,-0.1 -1,-0.0 0.829 66.2 162.8 33.3-165.8 -2.9 -41.5 42.3 21 126 A N - 0 0 99 -4,-0.2 4,-0.4 3,-0.0 3,-0.4 0.479 48.3-145.6 87.7 97.2 -0.2 -40.8 39.9 22 127 A R S >> S+ 0 0 108 1,-0.3 3,-4.3 2,-0.2 4,-1.1 0.992 94.6 53.4 -45.1 -75.1 -2.4 -38.2 38.3 23 128 A E H 3> S+ 0 0 121 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.737 97.9 65.0 -36.2 -30.4 -1.1 -38.9 34.9 24 129 A D H 3> S+ 0 0 44 -3,-0.4 4,-2.2 1,-0.2 -1,-0.3 0.742 105.4 44.4 -70.5 -14.0 -1.8 -42.6 35.3 25 130 A V H <> S+ 0 0 8 -3,-4.3 4,-2.1 -4,-0.4 5,-0.3 0.697 105.2 60.5 -96.4 -29.2 -5.5 -41.8 35.4 26 131 A D H X S+ 0 0 44 -4,-1.1 4,-3.9 2,-0.2 5,-0.2 0.955 114.9 39.3 -62.1 -39.8 -5.3 -39.4 32.5 27 132 A Y H X S+ 0 0 151 -4,-1.8 4,-3.3 2,-0.3 5,-0.3 0.978 111.4 51.4 -75.2 -66.5 -4.1 -42.4 30.7 28 133 A A H X S+ 0 0 13 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.791 123.5 37.3 -42.1 -36.8 -6.4 -45.2 32.0 29 134 A I H >X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 3,-0.7 0.991 110.9 52.0 -80.1 -65.5 -9.1 -42.8 31.1 30 135 A R H 3X S+ 0 0 164 -4,-3.9 4,-1.3 1,-0.3 -2,-0.2 0.811 119.0 46.4 -37.9 -36.3 -8.0 -41.1 27.9 31 136 A K H 3X S+ 0 0 47 -4,-3.3 4,-1.6 -5,-0.2 -1,-0.3 0.817 102.4 58.1 -83.1 -41.5 -7.6 -44.7 27.0 32 137 A A H X S+ 0 0 1 -4,-2.4 3,-2.9 1,-0.2 4,-1.0 0.960 103.4 60.8 -56.4 -47.0 -12.5 -43.6 26.0 34 139 A Q H 3X S+ 0 0 80 -4,-1.3 4,-1.8 1,-0.4 3,-0.4 0.853 91.2 66.7 -52.1 -48.5 -10.4 -44.9 23.1 35 140 A V H 3< S+ 0 0 19 -4,-1.6 -1,-0.4 1,-0.2 -2,-0.2 0.753 105.3 43.0 -34.5 -49.7 -11.7 -48.2 23.4 36 141 A W H X< S+ 0 0 6 -3,-2.9 3,-0.6 -4,-0.7 6,-0.2 0.845 109.3 53.9 -77.8 -20.1 -15.1 -46.8 22.3 37 142 A S H >< S+ 0 0 21 -4,-1.0 3,-0.8 -3,-0.4 2,-0.5 0.797 96.3 70.8-101.3 1.3 -14.0 -44.6 19.5 38 143 A N T 3< S+ 0 0 56 -4,-1.8 -1,-0.3 1,-0.3 128,-0.1 -0.447 109.9 26.4-100.4 36.5 -12.2 -47.3 17.9 39 144 A V T < S+ 0 0 4 -3,-0.6 -1,-0.3 -2,-0.5 -2,-0.1 -0.106 123.5 67.3 179.0 3.5 -15.2 -49.3 16.8 40 145 A T S < S- 0 0 1 -3,-0.8 -1,-0.2 2,-0.2 119,-0.1 -0.895 86.4-116.0-162.4 138.6 -17.2 -46.2 16.7 41 146 A P S S+ 0 0 24 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 0.213 76.7 106.7 -75.6 11.3 -17.5 -43.0 14.8 42 147 A L - 0 0 6 -5,-0.3 2,-0.2 -6,-0.2 -34,-0.2 -0.705 50.7-151.5-100.3 163.9 -16.7 -40.7 17.8 43 148 A K - 0 0 103 -36,-0.4 -34,-0.8 -2,-0.2 2,-0.3 -0.530 11.8-149.4-115.6 161.4 -14.0 -38.6 19.1 44 149 A F E -a 9 0A 34 -2,-0.2 2,-0.4 -36,-0.1 -34,-0.2 -0.986 8.0-167.9-140.3 136.5 -13.2 -37.7 22.7 45 150 A S E -a 10 0A 68 -36,-0.9 -34,-3.6 -2,-0.3 2,-1.1 -0.981 14.8-150.0-135.9 124.8 -11.6 -34.5 24.1 46 151 A K E -a 11 0A 70 -2,-0.4 -34,-0.2 -36,-0.2 2,-0.2 -0.778 25.8-176.1 -90.4 89.0 -10.2 -33.8 27.7 47 152 A I - 0 0 54 -36,-2.2 -34,-0.3 -2,-1.1 3,-0.1 -0.606 18.4-157.0 -86.2 156.7 -10.9 -30.1 28.1 48 153 A N S S+ 0 0 108 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.045 71.3 40.3-112.6 11.5 -9.6 -28.5 31.3 49 154 A T S S+ 0 0 117 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.794 96.6 22.2-171.5 122.4 -11.8 -25.6 31.5 50 155 A G S S- 0 0 50 -2,-0.3 2,-0.9 -3,-0.1 -3,-0.0 -0.653 104.9 -42.1 105.9-169.4 -15.5 -24.7 30.9 51 156 A M - 0 0 187 -2,-0.2 -41,-0.1 -3,-0.0 4,-0.0 -0.782 56.9-160.2-108.2 104.0 -18.1 -27.5 30.9 52 157 A A - 0 0 7 -2,-0.9 -41,-0.1 -5,-0.1 -40,-0.1 -0.155 20.3-126.2 -62.9 169.8 -17.2 -30.8 29.3 53 158 A D S S+ 0 0 28 1,-0.1 2,-0.4 35,-0.0 34,-0.2 0.832 93.8 43.7 -94.2 -25.5 -20.0 -33.3 28.2 54 159 A I E S-b 11 0A 0 -44,-3.3 -42,-1.5 32,-0.1 2,-0.5 -0.917 77.3-158.6-104.0 131.5 -18.8 -36.4 29.9 55 160 A L E -b 12 0A 36 -2,-0.4 35,-4.3 -44,-0.2 2,-0.5 -0.943 8.6-160.3-122.7 124.1 -17.7 -36.0 33.4 56 161 A V E +bc 13 90A 2 -44,-1.5 -42,-1.8 -2,-0.5 2,-0.3 -0.899 22.8 171.0 -92.4 137.9 -15.4 -38.3 35.3 57 162 A V E - c 0 91A 20 33,-1.2 35,-1.7 -2,-0.5 2,-0.4 -0.978 29.6-152.6-150.0 153.7 -15.6 -37.9 39.0 58 163 A F E + c 0 92A 7 -2,-0.3 2,-0.2 33,-0.2 35,-0.2 -0.892 39.0 140.0-130.7 97.1 -14.4 -39.7 42.1 59 164 A A E - c 0 93A 25 33,-1.0 35,-1.8 -2,-0.4 2,-0.3 -0.633 35.3-132.1-132.7-176.2 -16.6 -39.1 45.1 60 165 A R - 0 0 125 -2,-0.2 33,-0.1 33,-0.2 -2,-0.0 -0.961 52.4 -25.5-152.2 160.4 -17.8 -41.4 47.8 61 166 A G S S+ 0 0 26 -2,-0.3 8,-2.1 1,-0.1 2,-0.9 -0.189 128.3 15.0 30.2-106.9 -20.8 -42.5 49.7 62 167 A A S S+ 0 0 91 6,-0.2 6,-0.1 1,-0.1 -2,-0.1 -0.763 78.0 153.2 -90.8 101.9 -23.2 -39.7 49.4 63 168 A H - 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