==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 24-JUL-12 4G9L . COMPND 2 MOLECULE: STROMELYSIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.D.BELVISO,F.ARNESANO,V.CALDERONE,R.CALIANDRO,G.NATILE,D.SI . 335 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17262.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 51.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 10.1 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 . 20 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 20.3 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 1 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 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 91 0, 0.0 2,-0.3 0, 0.0 128,-0.1 0.000 360.0 360.0 360.0 164.8 -1.4 53.6 88.5 2 84 A R - 0 0 127 126,-0.4 126,-2.2 135,-0.0 2,-0.3 -0.957 360.0-151.8-141.2 157.9 -1.8 57.3 89.3 3 85 A T B -A 127 0A 36 -2,-0.3 124,-0.2 124,-0.3 126,-0.1 -0.799 34.4 -95.3-120.5 165.2 -4.0 60.3 88.5 4 86 A F > - 0 0 10 122,-1.0 3,-1.6 4,-0.3 2,-0.2 -0.378 59.6 -84.1 -68.5 161.1 -3.4 64.1 88.3 5 87 A P T 3 S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 322,-0.1 -0.473 120.0 25.8 -81.0 147.1 -4.2 66.0 91.6 6 88 A G T 3 S- 0 0 80 1,-0.2 -2,-0.1 -2,-0.2 322,-0.0 0.455 117.1-106.4 76.5 4.0 -7.8 67.1 92.1 7 89 A I < - 0 0 97 -3,-1.6 -1,-0.2 1,-0.1 120,-0.0 0.881 41.3-153.6 43.9 56.5 -8.4 64.1 89.7 8 90 A P + 0 0 40 0, 0.0 2,-0.3 0, 0.0 -4,-0.3 -0.374 26.6 164.0 -57.5 130.1 -9.3 66.1 86.6 9 91 A K - 0 0 98 78,-0.1 2,-0.2 79,-0.1 117,-0.1 -0.982 44.5 -93.9-142.7 158.6 -11.4 63.9 84.4 10 92 A W - 0 0 17 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.543 27.3-148.8 -70.3 143.0 -13.8 64.5 81.5 11 93 A R S S+ 0 0 243 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.070 76.6 55.2-102.5 28.6 -17.4 64.9 82.7 12 94 A K S S- 0 0 99 1,-0.1 -2,-0.1 0, 0.0 3,-0.0 -0.937 72.7-136.7-150.0 164.9 -18.9 63.4 79.6 13 95 A T S S+ 0 0 81 -2,-0.3 36,-2.1 1,-0.1 2,-0.5 0.711 84.4 69.6-103.0 -22.8 -18.4 60.0 77.8 14 96 A H E -b 49 0B 80 34,-0.2 2,-0.3 36,-0.1 36,-0.2 -0.896 65.8-175.0-104.0 124.6 -18.3 61.0 74.2 15 97 A L E -b 50 0B 0 34,-2.8 36,-1.9 -2,-0.5 2,-0.3 -0.861 14.3-139.2-120.0 142.4 -15.1 63.0 73.3 16 98 A T E -b 51 0B 23 -2,-0.3 44,-2.1 34,-0.2 2,-0.3 -0.781 15.6-168.0 -99.1 153.6 -14.0 64.6 70.1 17 99 A Y E -bc 52 60B 13 34,-2.5 36,-3.5 -2,-0.3 2,-0.4 -0.962 4.8-169.9-133.7 158.6 -10.7 64.6 68.4 18 100 A R E - c 0 61B 61 42,-2.0 44,-3.2 -2,-0.3 2,-0.8 -0.976 20.1-142.7-146.6 134.0 -9.0 66.4 65.7 19 101 A I E - c 0 62B 16 34,-0.4 44,-0.2 -2,-0.4 42,-0.1 -0.859 21.7-174.6 -97.8 106.7 -5.7 66.0 63.8 20 102 A V - 0 0 62 42,-3.3 2,-0.3 -2,-0.8 43,-0.2 0.775 60.3 -3.0 -78.6 -37.2 -4.7 69.6 63.2 21 103 A N - 0 0 66 41,-0.6 2,-0.4 44,-0.0 -1,-0.1 -0.908 67.6-119.4-150.6 174.6 -1.5 69.0 61.1 22 104 A Y - 0 0 65 -2,-0.3 6,-0.1 41,-0.1 41,-0.0 -0.984 19.2-122.2-131.7 132.6 0.6 66.2 59.6 23 105 A T > - 0 0 6 -2,-0.4 3,-0.6 1,-0.1 8,-0.1 -0.327 15.0-135.5 -62.6 141.9 4.2 65.2 60.0 24 106 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.695 95.8 78.9 -68.5 -11.0 6.4 65.0 56.9 25 107 A D T 3 S+ 0 0 38 77,-0.1 78,-0.0 75,-0.1 -2,-0.0 0.660 99.6 21.4 -76.8 -19.5 7.7 61.6 58.3 26 108 A L S < S- 0 0 23 -3,-0.6 79,-0.1 79,-0.1 2,-0.1 -0.969 87.8 -86.6-146.7 156.6 4.8 59.4 57.3 27 109 A P >> - 0 0 78 0, 0.0 4,-1.7 0, 0.0 3,-1.3 -0.396 43.4-116.3 -59.6 141.2 1.9 59.2 54.9 28 110 A K H 3> S+ 0 0 137 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.835 114.4 59.7 -46.7 -42.0 -1.3 60.9 56.2 29 111 A D H 3> S+ 0 0 129 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.785 103.8 50.6 -58.5 -36.5 -3.1 57.5 56.4 30 112 A A H <> S+ 0 0 15 -3,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.885 107.7 51.5 -72.0 -39.9 -0.5 56.2 58.8 31 113 A V H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.936 113.9 46.2 -57.9 -44.8 -0.9 59.2 61.1 32 114 A D H X S+ 0 0 25 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.877 112.1 48.6 -65.2 -40.4 -4.7 58.6 61.1 33 115 A S H X S+ 0 0 65 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.889 110.8 52.7 -67.1 -40.4 -4.5 54.8 61.7 34 116 A A H X S+ 0 0 12 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.881 110.7 44.3 -59.9 -47.6 -2.0 55.4 64.5 35 117 A V H X S+ 0 0 7 -4,-2.0 4,-3.3 2,-0.2 5,-0.2 0.930 114.1 52.6 -62.6 -43.9 -4.3 57.9 66.4 36 118 A E H X S+ 0 0 87 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.907 111.3 44.3 -60.3 -46.5 -7.3 55.7 65.8 37 119 A K H X S+ 0 0 140 -4,-2.5 4,-1.7 2,-0.2 3,-0.2 0.934 112.1 54.0 -64.7 -41.6 -5.6 52.6 67.2 38 120 A A H X S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.934 110.6 46.4 -60.9 -39.6 -4.3 54.8 70.1 39 121 A L H X S+ 0 0 4 -4,-3.3 4,-1.7 1,-0.2 3,-0.4 0.835 107.9 56.3 -64.6 -39.0 -7.8 55.9 70.9 40 122 A K H X S+ 0 0 117 -4,-1.8 4,-2.7 -3,-0.2 -1,-0.2 0.774 93.7 69.5 -66.2 -32.4 -9.3 52.3 70.7 41 123 A V H < S+ 0 0 15 -4,-1.7 -1,-0.2 1,-0.2 4,-0.2 0.905 112.7 29.3 -46.9 -48.8 -6.8 51.1 73.3 42 124 A W H >< S+ 0 0 0 -4,-0.8 3,-1.0 -3,-0.4 6,-0.3 0.785 115.3 59.9 -87.7 -35.4 -8.7 53.1 75.9 43 125 A E H >< S+ 0 0 74 -4,-1.7 3,-1.6 1,-0.2 -2,-0.2 0.919 98.2 63.2 -54.7 -44.6 -12.2 52.9 74.2 44 126 A E T 3< S+ 0 0 121 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.654 108.9 37.3 -58.1 -24.2 -12.0 49.1 74.5 45 127 A V T < S+ 0 0 25 -3,-1.0 -1,-0.3 -4,-0.2 -2,-0.2 0.154 117.0 40.6-122.0 17.9 -11.9 49.2 78.4 46 128 A T S < S- 0 0 4 -3,-1.6 119,-0.1 2,-0.2 115,-0.1 -0.917 86.1-100.6-147.2 178.3 -14.3 52.0 79.3 47 129 A P S S+ 0 0 37 0, 0.0 -4,-0.1 0, 0.0 2,-0.1 0.449 80.0 122.1 -84.6 4.0 -17.6 53.6 78.4 48 130 A L - 0 0 2 -6,-0.3 2,-0.3 -5,-0.1 -2,-0.2 -0.348 40.3-172.7 -65.7 146.8 -15.7 56.3 76.4 49 131 A T E -b 14 0B 61 -36,-2.1 -34,-2.8 -2,-0.1 2,-0.4 -0.944 5.6-154.5-138.6 152.3 -16.5 56.8 72.8 50 132 A F E -b 15 0B 27 -2,-0.3 2,-0.3 -36,-0.2 -34,-0.2 -0.983 10.0-173.9-134.8 144.8 -14.7 59.1 70.3 51 133 A S E -b 16 0B 47 -36,-1.9 -34,-2.5 -2,-0.4 2,-0.3 -0.978 24.0-120.0-137.7 156.4 -15.5 60.9 67.1 52 134 A R E -b 17 0B 43 -2,-0.3 2,-0.3 -36,-0.2 -34,-0.2 -0.647 20.3-162.9 -94.1 140.5 -13.3 62.9 64.7 53 135 A L - 0 0 64 -36,-3.5 -34,-0.4 -2,-0.3 5,-0.1 -0.949 13.1-167.8-123.6 153.3 -13.8 66.5 63.8 54 136 A Y S S+ 0 0 163 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.469 76.0 24.9-114.9 -9.8 -12.3 68.4 60.8 55 137 A E S S+ 0 0 159 2,-0.0 -1,-0.2 0, 0.0 2,-0.0 -0.953 101.3 27.9-147.2 157.9 -13.1 72.1 61.7 56 138 A G S S- 0 0 47 -2,-0.3 2,-0.6 -3,-0.1 -3,-0.1 -0.269 98.7 -40.5 87.0-170.5 -13.6 73.8 65.0 57 139 A E - 0 0 122 -2,-0.0 2,-0.2 4,-0.0 -41,-0.0 -0.830 54.9-171.5-106.7 111.1 -12.4 73.0 68.6 58 140 A A - 0 0 3 -2,-0.6 3,-0.3 1,-0.1 -41,-0.1 -0.621 34.9-113.5 -97.1 163.9 -12.4 69.3 69.5 59 141 A D S S+ 0 0 31 1,-0.3 2,-0.7 -2,-0.2 -42,-0.2 0.939 110.3 36.8 -61.2 -49.8 -11.7 68.2 73.0 60 142 A I E S-c 17 0B 0 -44,-2.1 -42,-2.0 35,-0.1 2,-0.5 -0.906 76.5-169.7-109.9 93.9 -8.4 66.5 72.1 61 143 A M E -c 18 0B 27 -2,-0.7 35,-2.1 -3,-0.3 2,-0.4 -0.824 9.8-157.2 -86.6 123.5 -6.6 68.6 69.4 62 144 A I E +cd 19 96B 5 -44,-3.2 -42,-3.3 -2,-0.5 -41,-0.6 -0.909 20.8 160.2-104.9 126.7 -3.6 66.6 68.0 63 145 A S E - d 0 97B 19 33,-1.8 35,-2.1 -2,-0.4 2,-0.4 -0.975 37.8-125.5-144.3 160.5 -0.7 68.3 66.4 64 146 A F E + d 0 98B 12 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.885 39.4 170.4-103.7 142.1 3.0 68.0 65.4 65 147 A A E - d 0 99B 12 33,-2.8 35,-2.6 -2,-0.4 36,-0.4 -0.987 23.3-150.0-150.7 145.4 5.3 70.7 66.7 66 148 A V - 0 0 68 -2,-0.3 33,-0.1 2,-0.3 -2,-0.0 -0.993 61.1 -38.6-122.0 147.8 9.0 71.7 67.0 67 149 A R S S+ 0 0 141 -2,-0.4 8,-2.5 7,-0.1 2,-0.3 -0.243 125.5 14.7 50.8-133.6 10.8 73.7 69.6 68 150 A E + 0 0 131 6,-0.3 -2,-0.3 1,-0.1 4,-0.1 -0.523 68.7 164.4 -70.4 128.9 8.6 76.7 70.6 69 151 A H - 0 0 48 2,-0.4 -1,-0.1 -2,-0.3 3,-0.1 0.177 64.4 -75.8-138.0 22.6 5.1 76.1 69.4 70 152 A G S S+ 0 0 79 1,-0.5 2,-0.3 0, 0.0 -2,-0.1 0.780 103.7 85.1 91.0 21.2 2.8 78.5 71.3 71 153 A D S S- 0 0 18 21,-0.0 -1,-0.5 0, 0.0 -2,-0.4 -0.845 91.5-100.3-132.4 179.8 2.5 77.0 74.7 72 154 A F S S+ 0 0 192 -2,-0.3 -4,-0.0 1,-0.2 261,-0.0 0.382 104.4 76.0 -80.2 3.3 4.9 77.5 77.6 73 155 A Y - 0 0 77 -6,-0.1 -1,-0.2 11,-0.0 -6,-0.0 -0.689 67.7-163.7-124.0 77.8 6.6 74.2 77.0 74 156 A P - 0 0 61 0, 0.0 -6,-0.3 0, 0.0 -7,-0.1 -0.259 23.5-114.6 -60.1 143.4 9.0 74.2 74.1 75 157 A F - 0 0 5 -8,-2.5 7,-0.1 1,-0.1 -9,-0.1 -0.248 20.0-131.0 -68.8 166.8 10.1 70.8 72.6 76 158 A D - 0 0 55 1,-0.4 -1,-0.1 5,-0.4 -10,-0.0 -0.057 37.4-108.6-119.0 23.8 13.9 69.9 72.9 77 159 A G S S+ 0 0 0 3,-0.0 -1,-0.4 25,-0.0 24,-0.1 -0.281 79.8 8.1 65.3-158.1 15.0 68.8 69.4 78 160 A P S S- 0 0 95 0, 0.0 24,-0.2 0, 0.0 3,-0.1 -0.152 113.5 -16.1 -69.9 146.7 15.8 65.1 68.7 79 161 A G S S+ 0 0 28 22,-0.2 2,-0.3 1,-0.2 -3,-0.2 -0.082 99.3 70.7 61.9-163.1 15.1 62.4 71.3 80 162 A N S S+ 0 0 141 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.415 101.4 36.3 57.9-114.6 14.4 62.9 75.0 81 163 A V + 0 0 46 -2,-0.3 -5,-0.4 1,-0.2 3,-0.1 -0.551 67.5 176.7 -69.0 120.1 10.9 64.5 75.2 82 164 A L - 0 0 16 -2,-0.4 17,-2.9 1,-0.4 2,-0.3 0.713 60.1 -21.9 -90.7 -31.5 8.9 62.9 72.4 83 165 A A E -E 98 0B 0 15,-0.3 -1,-0.4 253,-0.1 2,-0.3 -0.944 57.5-148.6-175.6 149.9 5.4 64.4 72.9 84 166 A H E -E 97 0B 10 13,-2.8 13,-2.8 -2,-0.3 2,-0.3 -0.990 9.6-169.7-139.9 162.8 3.4 66.0 75.7 85 167 A A E -EF 96 335B 0 250,-1.9 250,-3.1 -2,-0.3 2,-0.4 -0.998 17.5-126.3-157.3 141.1 -0.2 66.2 76.6 86 168 A Y - 0 0 5 9,-2.4 8,-0.8 6,-0.3 3,-0.1 -0.720 31.3-105.7 -92.9 141.6 -2.4 68.1 79.0 87 169 A A - 0 0 9 246,-0.4 7,-1.1 -2,-0.4 8,-0.2 -0.062 57.7 -65.5 -54.1 159.7 -4.9 66.7 81.5 88 170 A P S S+ 0 0 8 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.040 87.1 87.2 -51.4 150.5 -8.8 66.8 80.9 89 171 A G S S- 0 0 21 4,-0.3 2,-0.1 35,-0.1 -3,-0.0 -0.886 74.3 -43.6 142.6 178.7 -10.4 70.2 80.8 90 172 A P S > S- 0 0 110 0, 0.0 3,-1.7 0, 0.0 2,-0.2 -0.341 96.4 -4.2 -83.6 163.1 -11.3 73.1 78.4 91 173 A G T 3 S+ 0 0 41 1,-0.3 4,-0.1 -2,-0.1 -2,-0.1 -0.352 136.3 3.5 63.4-125.1 -9.1 74.8 75.7 92 174 A I T > S+ 0 0 65 -2,-0.2 3,-1.7 2,-0.1 -6,-0.3 0.700 108.5 104.7 -61.9 -20.5 -5.5 73.5 75.6 93 175 A N T < S+ 0 0 40 -3,-1.7 -4,-0.3 1,-0.3 -6,-0.2 -0.358 83.4 23.1 -65.1 148.3 -6.4 70.9 78.3 94 176 A G T 3 S+ 0 0 0 -7,-1.1 -1,-0.3 -8,-0.8 30,-0.1 0.194 97.6 125.0 82.7 -22.0 -6.8 67.4 76.8 95 177 A D < - 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