==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-JUL-03 1Q3A . COMPND 2 MOLECULE: STROMELYSIN-2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.CALDERONE,I.BERTINI,M.FRAGAI,C.LUCHINAT,S.MANGANI,B.TERNI . 471 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22386.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 245 52.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 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 . 30 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 20.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 3 2 1 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 3 5 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 PARALLEL BRIDGES PER LADDER . 0 0 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 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 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 1 105 A M 0 0 164 0, 0.0 120,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 44.1 11.0 -3.0 13.4 2 106 A P - 0 0 42 0, 0.0 2,-0.4 0, 0.0 81,-0.1 -0.296 360.0-179.2 -46.9 125.1 10.7 -0.3 16.1 3 107 A K - 0 0 83 78,-0.1 2,-0.2 152,-0.0 117,-0.1 -0.947 39.2-104.5-112.4 152.2 12.5 2.9 15.5 4 108 A W - 0 0 14 -2,-0.4 5,-0.0 115,-0.3 115,-0.0 -0.565 29.3-139.2 -55.4 135.4 12.4 5.8 17.9 5 109 A R S S+ 0 0 215 -2,-0.2 2,-0.2 2,-0.0 -1,-0.1 0.156 78.1 74.9 -91.6 23.5 10.1 8.2 16.3 6 110 A K - 0 0 98 1,-0.1 3,-0.1 0, 0.0 -2,-0.1 -0.525 68.1-147.0-114.9-177.5 12.3 11.1 17.3 7 111 A T S S+ 0 0 83 1,-0.2 36,-2.0 -2,-0.2 2,-0.5 0.465 87.8 60.6-123.9 -15.5 15.6 12.3 16.0 8 112 A H E +a 43 0A 89 34,-0.2 2,-0.4 36,-0.0 -1,-0.2 -0.938 65.5 179.8-115.7 127.0 16.8 13.5 19.3 9 113 A L E -a 44 0A 0 34,-2.2 36,-1.7 -2,-0.5 2,-0.3 -0.952 15.3-145.6-129.0 135.3 17.2 11.1 22.2 10 114 A T E -a 45 0A 29 -2,-0.4 44,-2.3 34,-0.2 43,-0.3 -0.683 13.6-161.7 -98.0 156.2 18.3 11.6 25.8 11 115 A Y E -ab 46 54A 21 34,-1.8 36,-3.9 -2,-0.3 2,-0.4 -0.945 5.1-158.7-131.6 159.4 20.3 9.2 27.9 12 116 A R E -ab 47 55A 61 42,-3.0 44,-3.1 -2,-0.3 2,-1.3 -0.961 13.9-152.6-141.7 123.0 21.0 8.8 31.6 13 117 A I E - b 0 56A 17 34,-0.5 44,-0.2 -2,-0.4 42,-0.1 -0.824 23.1-177.6 -89.1 86.7 23.9 6.9 33.2 14 118 A V + 0 0 62 42,-2.3 2,-0.3 -2,-1.3 -1,-0.2 0.804 57.5 7.5 -60.2 -35.6 21.9 6.2 36.3 15 119 A N - 0 0 61 41,-0.7 2,-0.4 -3,-0.1 -1,-0.1 -0.951 65.0-125.3-142.9 166.5 24.7 4.4 38.2 16 120 A Y - 0 0 67 -2,-0.3 6,-0.1 41,-0.1 41,-0.0 -0.972 16.0-132.6-120.9 135.2 28.4 3.6 38.3 17 121 A T > - 0 0 2 -2,-0.4 3,-0.9 1,-0.1 8,-0.1 -0.478 16.1-133.8 -67.8 139.3 30.4 0.3 38.6 18 122 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.735 93.1 85.8 -62.4 -25.9 33.3 0.0 41.0 19 123 A D T 3 S+ 0 0 44 77,-0.1 78,-0.0 75,-0.1 -3,-0.0 0.718 98.0 19.0 -46.3 -30.7 35.3 -1.6 38.1 20 124 A L S < S- 0 0 25 -3,-0.9 2,-0.2 79,-0.1 79,-0.1 -0.941 85.5 -90.4-146.2 159.7 36.5 1.7 36.7 21 125 A P >> - 0 0 85 0, 0.0 3,-2.7 0, 0.0 4,-1.8 -0.535 48.3-110.9 -70.4 135.5 37.0 5.4 37.3 22 126 A R H 3> S+ 0 0 146 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.711 116.2 52.9 -31.1 -41.5 33.9 7.5 36.4 23 127 A D H 34 S+ 0 0 127 2,-0.2 4,-0.4 1,-0.2 -1,-0.3 0.525 104.7 53.8 -94.2 4.0 35.5 9.1 33.4 24 128 A A H <> S+ 0 0 7 -3,-2.7 4,-2.6 3,-0.1 -2,-0.2 0.806 113.0 46.5 -83.5 -41.3 36.5 5.8 31.9 25 129 A V H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 5,-0.2 0.964 116.3 41.9 -62.5 -54.2 32.8 4.8 32.2 26 130 A D H X S+ 0 0 25 -4,-2.9 4,-3.0 1,-0.2 -1,-0.2 0.860 116.1 51.6 -56.0 -38.2 31.5 8.1 30.7 27 131 A S H > S+ 0 0 62 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.885 107.4 50.5 -73.8 -44.9 34.2 8.0 28.1 28 132 A A H X S+ 0 0 10 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.801 117.5 40.7 -61.0 -37.2 33.5 4.4 27.0 29 133 A I H X S+ 0 0 2 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.833 110.5 55.0 -82.6 -42.3 29.8 5.2 26.6 30 134 A E H >X S+ 0 0 80 -4,-3.0 4,-1.7 -5,-0.2 3,-1.0 0.990 111.3 47.5 -52.3 -62.9 30.2 8.6 25.0 31 135 A K H 3X S+ 0 0 86 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.774 107.0 58.1 -32.5 -46.7 32.4 6.9 22.4 32 136 A A H 3X S+ 0 0 0 -4,-0.7 4,-1.2 1,-0.2 -1,-0.2 0.893 105.4 48.2 -61.5 -43.7 29.6 4.2 22.1 33 137 A L H X S+ 0 0 1 -4,-1.2 3,-2.2 2,-0.1 4,-0.6 0.971 112.5 60.6 -78.8 -54.8 25.9 5.2 16.2 37 141 A E H >< S+ 0 0 59 -4,-4.5 3,-2.3 1,-0.3 2,-0.4 0.872 100.2 58.0 -30.1 -66.4 25.7 9.1 16.0 38 142 A E T 3< S+ 0 0 136 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.1 0.253 110.0 41.0 -59.4 10.3 28.0 9.2 12.9 39 143 A V T <4 S+ 0 0 29 -3,-2.2 -1,-0.3 -2,-0.4 -2,-0.2 0.281 114.4 52.5-137.1 6.5 25.8 6.9 10.7 40 144 A T S << S- 0 0 20 -3,-2.3 117,-0.1 -4,-0.6 113,-0.1 -0.859 79.3-122.5-131.2 165.1 22.4 8.2 11.7 41 145 A P S S+ 0 0 72 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.007 80.5 118.2 -90.8 22.4 20.7 11.6 11.8 42 146 A L - 0 0 2 -5,-0.3 2,-0.3 -6,-0.2 -2,-0.2 -0.685 46.8-167.4 -87.2 142.3 20.2 10.7 15.5 43 147 A T E -a 8 0A 61 -36,-2.0 -34,-2.2 -2,-0.3 2,-0.4 -0.885 6.4-147.4-125.8 162.4 21.7 12.9 18.2 44 148 A F E -a 9 0A 22 -2,-0.3 2,-0.3 -36,-0.2 -34,-0.2 -0.991 12.8-179.4-135.6 133.8 22.1 12.2 21.9 45 149 A S E -a 10 0A 46 -36,-1.7 -34,-1.8 -2,-0.4 2,-0.3 -0.986 28.5-116.5-133.9 148.0 22.1 14.5 24.9 46 150 A R E -a 11 0A 44 -2,-0.3 2,-0.3 -36,-0.2 -34,-0.2 -0.632 17.8-157.3 -98.3 140.6 22.6 13.5 28.5 47 151 A L E -a 12 0A 46 -36,-3.9 -34,-0.5 -2,-0.3 3,-0.1 -0.798 11.7-176.2-103.7 150.2 20.2 13.7 31.5 48 152 A Y S S+ 0 0 171 1,-0.5 2,-0.3 -2,-0.3 -1,-0.1 0.401 79.9 15.9-119.1 -5.2 21.2 13.7 35.2 49 153 A E S S+ 0 0 163 2,-0.0 -1,-0.5 0, 0.0 2,-0.2 -0.912 106.9 39.0-167.3 137.9 17.7 13.7 36.7 50 154 A G S S- 0 0 45 -2,-0.3 2,-0.6 -3,-0.1 -3,-0.1 -0.721 98.7 -49.2 110.7-166.4 14.3 12.8 35.0 51 155 A E - 0 0 131 -2,-0.2 2,-0.2 4,-0.0 -41,-0.1 -0.955 52.8-169.2-114.4 112.8 13.5 10.1 32.5 52 156 A A - 0 0 5 -2,-0.6 3,-0.3 1,-0.1 -41,-0.2 -0.565 35.1-115.1 -85.5 160.3 15.8 9.9 29.5 53 157 A D S S+ 0 0 28 -43,-0.3 2,-0.6 1,-0.2 -42,-0.2 0.918 110.2 40.7 -55.6 -46.3 15.0 7.7 26.5 54 158 A I E -b 11 0A 1 -44,-2.3 -42,-3.0 35,-0.1 2,-0.7 -0.853 69.7-175.0-119.6 92.3 18.0 5.6 27.3 55 159 A M E -b 12 0A 24 -2,-0.6 35,-2.1 -3,-0.3 2,-0.4 -0.795 13.1-166.5 -77.6 111.4 18.6 4.8 31.0 56 160 A I E +bc 13 90A 3 -44,-3.1 -42,-2.3 -2,-0.7 -41,-0.7 -0.847 17.6 151.3-104.3 136.0 21.9 2.9 31.3 57 161 A S E - c 0 91A 24 33,-2.1 35,-2.0 -2,-0.4 2,-0.3 -0.999 38.8-115.7-163.3 164.5 22.9 1.1 34.4 58 162 A F E + c 0 92A 10 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.764 36.3 164.9-102.5 148.2 24.9 -1.7 36.1 59 163 A A E - c 0 93A 17 33,-2.2 35,-3.2 -2,-0.3 2,-0.4 -0.963 28.0-131.3-157.1 169.4 23.3 -4.5 38.1 60 164 A V - 0 0 68 -2,-0.3 33,-0.0 2,-0.3 -2,-0.0 -0.983 61.6 -47.9-132.8 138.1 23.8 -7.9 39.6 61 165 A K S S+ 0 0 87 -2,-0.4 8,-1.8 7,-0.1 2,-0.2 -0.002 122.3 22.7 43.4-131.6 21.6 -11.0 39.3 62 166 A E S S+ 0 0 151 6,-0.3 -2,-0.3 1,-0.1 6,-0.1 -0.434 71.1 160.3 -64.0 127.2 18.0 -10.1 40.0 63 167 A H - 0 0 50 2,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.301 60.5 -75.7-142.8 15.5 17.3 -6.3 39.4 64 168 A G S S+ 0 0 74 1,-0.5 2,-0.2 0, 0.0 -2,-0.1 0.544 102.9 80.8 102.7 3.4 13.7 -5.2 38.8 65 169 A D S S- 0 0 17 2,-0.1 -1,-0.5 21,-0.0 2,-0.3 -0.656 94.0 -99.5-121.4-175.5 12.9 -6.3 35.2 66 170 A N S S+ 0 0 159 -2,-0.2 2,-0.2 1,-0.2 -4,-0.0 -0.118 103.2 76.8-104.9 53.5 11.9 -9.9 34.3 67 171 A Y - 0 0 150 -2,-0.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.729 65.6-166.2-160.0 78.7 15.3 -10.8 33.1 68 172 A S - 0 0 78 -2,-0.2 -6,-0.3 -6,-0.1 2,-0.1 -0.375 23.1-113.3 -74.6 156.9 18.0 -11.5 35.8 69 173 A F - 0 0 9 -8,-1.8 -1,-0.1 23,-0.1 -9,-0.1 -0.387 14.9-144.0 -78.3 172.4 21.6 -11.8 35.2 70 174 A D - 0 0 61 1,-0.4 -1,-0.1 5,-0.3 -10,-0.0 -0.010 39.8-112.8-128.7 19.5 23.5 -15.1 35.7 71 175 A G S S+ 0 0 2 3,-0.1 -1,-0.4 4,-0.0 4,-0.1 -0.188 72.9 9.2 70.8-169.7 26.8 -14.1 37.2 72 176 A P S S- 0 0 82 0, 0.0 24,-0.1 0, 0.0 2,-0.1 -0.157 118.0 -5.3 -50.0 125.8 30.3 -14.3 35.7 73 177 A G S S+ 0 0 0 1,-0.1 -3,-0.2 22,-0.1 157,-0.1 -0.430 102.9 66.6 83.4-159.4 30.3 -15.3 32.0 74 178 A H S S+ 0 0 101 157,-0.5 2,-0.4 155,-0.3 -1,-0.1 -0.222 104.4 34.3 39.9 -98.5 27.3 -16.3 29.9 75 179 A S + 0 0 45 1,-0.2 -5,-0.3 -4,-0.1 3,-0.1 -0.583 57.9 176.9 -87.3 131.2 25.2 -13.0 29.7 76 180 A L - 0 0 20 1,-0.4 17,-2.7 -2,-0.4 2,-0.3 0.821 64.2 -31.6 -97.4 -33.6 27.2 -9.8 29.6 77 181 A A E -D 92 0A 13 15,-0.3 -1,-0.4 17,-0.0 2,-0.3 -0.950 51.2-147.5-173.0 163.7 24.4 -7.2 29.2 78 182 A H E -D 91 0A 36 13,-1.9 13,-2.9 -2,-0.3 2,-0.3 -0.960 9.8-170.7-141.0 161.1 20.9 -6.8 27.8 79 183 A A E -D 90 0A 15 -2,-0.3 11,-0.2 11,-0.2 8,-0.1 -0.954 20.0-119.4-159.6 138.5 19.0 -3.8 26.3 80 184 A Y - 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