==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 18-FEB-13 4JA1 . 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) . 17107.0 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 . 21 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 19.7 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 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 83 A F 0 0 96 0, 0.0 2,-0.3 0, 0.0 128,-0.1 0.000 360.0 360.0 360.0 173.7 1.3 24.7 34.9 2 84 A R - 0 0 147 126,-0.4 126,-3.5 135,-0.0 2,-0.2 -0.998 360.0-155.0-142.0 145.0 1.7 21.0 35.7 3 85 A T B -A 127 0A 30 -2,-0.3 124,-0.2 124,-0.3 126,-0.1 -0.591 37.1 -93.2-103.1 176.6 4.1 18.2 34.9 4 86 A F > - 0 0 42 122,-0.9 3,-1.8 4,-0.3 -1,-0.1 -0.430 60.2 -74.6 -81.7 162.4 3.4 14.4 34.8 5 87 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.356 121.9 16.4 -66.5 138.7 4.0 12.3 38.0 6 88 A G T 3 S- 0 0 80 1,-0.2 -2,-0.0 -3,-0.1 0, 0.0 0.611 116.2-102.4 75.8 8.5 7.7 11.6 38.8 7 89 A I < - 0 0 93 -3,-1.8 2,-0.3 1,-0.1 -1,-0.2 0.889 43.9-158.1 43.7 66.1 8.4 14.4 36.3 8 90 A P + 0 0 43 0, 0.0 2,-0.3 0, 0.0 -4,-0.3 -0.612 23.2 164.2 -72.3 135.7 9.4 12.3 33.2 9 91 A K - 0 0 95 -2,-0.3 117,-0.1 78,-0.1 2,-0.1 -0.962 45.2 -89.3-146.7 157.2 11.5 14.5 30.9 10 92 A W - 0 0 16 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.445 29.9-149.8 -64.1 143.4 13.8 14.0 27.9 11 93 A R S S+ 0 0 234 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.004 77.6 52.4-106.3 31.1 17.4 13.5 29.2 12 94 A K S S- 0 0 104 1,-0.0 -2,-0.0 0, 0.0 36,-0.0 -0.947 75.2-135.7-155.2 155.2 19.0 15.0 26.0 13 95 A T S S+ 0 0 81 -2,-0.3 36,-2.5 1,-0.1 2,-0.7 0.621 84.3 75.9 -98.2 -14.1 18.4 18.3 24.4 14 96 A H E -b 49 0B 82 34,-0.2 2,-0.3 36,-0.0 36,-0.2 -0.876 62.3-179.3-104.6 117.2 18.3 17.2 20.8 15 97 A L E -b 50 0B 0 34,-2.8 36,-1.7 -2,-0.7 2,-0.3 -0.857 14.7-147.0-117.7 142.9 15.1 15.4 19.8 16 98 A T E -b 51 0B 22 -2,-0.3 44,-2.3 34,-0.2 2,-0.3 -0.744 12.8-167.8-102.7 155.6 14.1 13.8 16.5 17 99 A Y E -bc 52 60B 10 34,-2.2 36,-3.1 -2,-0.3 2,-0.4 -0.960 5.8-162.6-138.0 160.2 10.6 13.6 15.0 18 100 A R E - c 0 61B 17 42,-1.9 44,-3.2 -2,-0.3 2,-0.9 -0.980 16.9-142.4-143.4 129.9 9.0 11.8 12.1 19 101 A I E - c 0 62B 5 34,-0.4 44,-0.2 -2,-0.4 42,-0.1 -0.843 20.7-171.1 -93.0 106.4 5.7 12.4 10.4 20 102 A V - 0 0 8 42,-2.9 2,-0.3 -2,-0.9 43,-0.2 0.778 59.4 -6.9 -74.6 -34.2 4.6 8.9 9.8 21 103 A N - 0 0 10 41,-0.6 2,-0.4 165,-0.2 165,-0.2 -0.932 65.6-116.7-159.2 176.9 1.6 9.7 7.5 22 104 A Y B -F 185 0C 4 163,-2.0 163,-1.9 -2,-0.3 6,-0.1 -0.973 19.8-124.8-134.0 129.8 -0.5 12.4 6.1 23 105 A T > - 0 0 1 -2,-0.4 3,-0.8 161,-0.2 161,-0.2 -0.431 16.7-134.5 -63.5 142.3 -4.2 13.4 6.5 24 106 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.1 0, 0.0 160,-0.1 0.677 95.7 81.3 -66.9 -9.9 -6.3 13.8 3.3 25 107 A D T 3 S+ 0 0 39 77,-0.1 78,-0.0 75,-0.1 -2,-0.0 0.744 98.6 23.6 -64.5 -25.8 -7.7 17.0 4.9 26 108 A L S < S- 0 0 16 -3,-0.8 79,-0.1 79,-0.1 5,-0.1 -0.946 87.4 -90.4-143.5 152.8 -4.7 19.2 3.9 27 109 A P >> - 0 0 82 0, 0.0 4,-1.6 0, 0.0 3,-0.8 -0.342 44.0-115.2 -58.8 144.8 -1.8 19.5 1.5 28 110 A K H 3> S+ 0 0 41 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.876 114.6 59.6 -49.9 -41.2 1.3 17.8 2.8 29 111 A D H 3> S+ 0 0 126 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.842 104.2 51.8 -58.5 -34.9 3.2 21.3 3.0 30 112 A A H <> S+ 0 0 13 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.855 109.5 47.7 -73.6 -33.9 0.5 22.5 5.4 31 113 A V H X S+ 0 0 1 -4,-1.6 4,-2.1 -3,-0.2 5,-0.2 0.962 114.3 47.2 -63.5 -51.1 0.9 19.4 7.7 32 114 A D H X S+ 0 0 29 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.876 114.1 48.8 -57.5 -42.3 4.7 19.9 7.6 33 115 A S H X S+ 0 0 56 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.886 109.8 49.4 -63.9 -46.6 4.4 23.6 8.4 34 116 A A H X S+ 0 0 11 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.887 113.7 46.0 -61.6 -41.1 2.0 23.2 11.2 35 117 A V H X S+ 0 0 7 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.889 113.1 50.3 -68.8 -43.6 4.2 20.6 12.9 36 118 A E H X S+ 0 0 69 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.936 111.3 47.5 -57.2 -48.2 7.3 22.7 12.4 37 119 A K H X S+ 0 0 121 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.869 109.9 54.7 -64.3 -36.4 5.7 25.7 13.8 38 120 A A H X S+ 0 0 0 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.874 110.2 44.8 -65.3 -41.0 4.4 23.7 16.8 39 121 A L H >X S+ 0 0 5 -4,-2.2 4,-2.3 1,-0.2 3,-0.6 0.879 109.8 56.4 -67.2 -39.2 7.9 22.5 17.6 40 122 A K H 3X S+ 0 0 91 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.851 96.1 65.0 -59.1 -42.1 9.4 26.0 17.1 41 123 A V H 3< S+ 0 0 16 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.863 112.8 32.9 -44.5 -47.1 7.0 27.4 19.7 42 124 A W H X< S+ 0 0 0 -4,-0.7 3,-1.0 -3,-0.6 4,-0.3 0.824 113.7 59.6 -82.8 -39.4 8.7 25.3 22.4 43 125 A E H >< S+ 0 0 60 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.888 98.3 63.0 -49.4 -45.3 12.3 25.4 20.9 44 126 A E T 3< S+ 0 0 137 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.756 109.8 35.8 -57.3 -28.2 12.1 29.2 21.2 45 127 A V T < S+ 0 0 23 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.230 118.2 41.0-117.7 10.0 11.9 29.1 25.0 46 128 A T S < S- 0 0 4 -3,-1.3 119,-0.1 -4,-0.3 115,-0.1 -0.830 87.6-104.6-138.2 178.4 14.1 26.2 26.0 47 129 A P S S+ 0 0 36 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 0.338 79.0 125.7 -94.9 15.1 17.4 24.8 24.9 48 130 A L - 0 0 2 -6,-0.3 2,-0.3 -5,-0.1 -2,-0.2 -0.422 38.7-172.6 -61.5 138.8 15.6 22.0 23.0 49 131 A T E -b 14 0B 61 -36,-2.5 -34,-2.8 -2,-0.1 2,-0.3 -0.951 4.8-157.1-130.6 154.6 16.3 21.5 19.3 50 132 A F E -b 15 0B 22 -2,-0.3 2,-0.3 -36,-0.2 -34,-0.2 -0.961 7.7-172.1-130.9 145.0 14.5 19.1 16.8 51 133 A S E -b 16 0B 45 -36,-1.7 -34,-2.2 -2,-0.3 2,-0.4 -0.986 25.2-118.4-133.8 154.4 15.4 17.5 13.6 52 134 A R E -b 17 0B 44 -2,-0.3 2,-0.4 -36,-0.2 -34,-0.2 -0.694 20.6-161.1 -92.4 134.9 13.2 15.5 11.2 53 135 A L - 0 0 58 -36,-3.1 -34,-0.4 -2,-0.4 3,-0.1 -0.901 10.5-168.4-108.4 146.2 13.9 11.9 10.3 54 136 A Y S S+ 0 0 155 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.457 75.4 19.8-105.3 -9.2 12.4 10.3 7.2 55 137 A E S S+ 0 0 153 2,-0.1 -1,-0.1 0, 0.0 209,-0.0 -0.954 101.1 29.6-151.4 166.7 13.3 6.7 8.2 56 138 A G S S- 0 0 49 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.1 -0.263 100.4 -32.6 72.7-164.1 14.3 4.7 11.3 57 139 A E - 0 0 133 4,-0.0 2,-0.3 2,-0.0 -2,-0.1 -0.768 56.7-170.4-105.6 129.1 13.1 5.4 14.8 58 140 A A - 0 0 7 -2,-0.4 3,-0.2 1,-0.1 -41,-0.1 -0.720 31.2-121.6-109.7 161.2 12.5 9.0 15.9 59 141 A D S S+ 0 0 27 -43,-0.3 2,-0.7 -2,-0.3 -42,-0.2 0.956 105.1 37.0 -62.9 -52.0 11.8 10.2 19.5 60 142 A I E S-c 17 0B 0 -44,-2.3 -42,-1.9 35,-0.1 2,-0.6 -0.875 73.9-166.2-110.6 100.5 8.4 11.8 18.6 61 143 A M E -c 18 0B 24 -2,-0.7 35,-1.7 -3,-0.2 2,-0.5 -0.766 9.4-160.1 -86.8 118.9 6.5 9.8 16.0 62 144 A I E +cd 19 96B 5 -44,-3.2 -42,-2.9 -2,-0.6 -41,-0.6 -0.885 19.8 160.5-106.5 127.6 3.6 11.9 14.7 63 145 A S E - d 0 97B 19 33,-1.9 35,-2.3 -2,-0.5 2,-0.4 -0.981 37.4-127.5-145.6 156.4 0.6 10.2 13.0 64 146 A F E + d 0 98B 7 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.857 39.6 166.4-100.6 136.8 -3.1 10.6 11.9 65 147 A A E - d 0 99B 14 33,-2.8 35,-3.1 -2,-0.4 36,-0.4 -0.958 27.4-147.9-147.0 160.2 -5.5 7.8 13.1 66 148 A V - 0 0 34 -2,-0.3 33,-0.0 2,-0.3 -2,-0.0 -0.986 62.8 -39.9-127.3 146.8 -9.1 6.9 13.4 67 149 A R S S+ 0 0 135 -2,-0.3 8,-1.5 7,-0.1 2,-0.2 -0.016 125.3 19.1 41.0-137.5 -10.7 4.7 16.1 68 150 A E + 0 0 108 6,-0.2 -2,-0.3 1,-0.1 4,-0.1 -0.427 69.6 158.1 -64.3 128.1 -8.5 1.7 17.0 69 151 A H - 0 0 22 2,-0.2 164,-0.2 -2,-0.2 -1,-0.1 0.133 66.5 -71.7-146.3 20.5 -5.0 2.5 15.8 70 152 A G S S+ 0 0 26 1,-0.4 2,-0.3 162,-0.2 161,-0.1 0.802 103.9 73.9 98.8 27.3 -2.7 0.3 17.7 71 153 A D S S- 0 0 23 161,-0.1 -1,-0.4 162,-0.0 -2,-0.2 -0.724 93.3 -92.2-136.9-159.4 -2.4 1.4 21.3 72 154 A F S S+ 0 0 184 -2,-0.3 -4,-0.0 1,-0.2 0, 0.0 0.346 104.4 74.9 -98.1 7.1 -5.0 1.0 24.0 73 155 A Y - 0 0 144 -6,-0.1 -1,-0.2 11,-0.0 -6,-0.0 -0.712 67.9-162.2-126.1 81.0 -6.8 4.4 23.6 74 156 A P - 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0 0 47 9,-2.2 8,-0.6 6,-0.3 3,-0.1 -0.763 31.4-105.0-106.1 148.6 2.4 10.4 25.6 87 169 A A - 0 0 15 -2,-0.3 7,-1.3 6,-0.2 8,-0.2 -0.141 58.1 -65.7 -66.6 162.1 4.9 11.8 28.0 88 170 A P S S+ 0 0 8 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 0.059 84.1 95.0 -50.3 156.6 8.6 11.5 27.3 89 171 A G S S- 0 0 25 4,-0.3 2,-0.1 35,-0.1 -3,-0.0 -0.823 73.1 -54.6 143.0-179.6 10.3 8.1 27.3 90 172 A P S > S+ 0 0 116 0, 0.0 3,-1.5 0, 0.0 2,-0.2 -0.366 98.1 6.2 -87.6 168.1 11.3 5.3 24.8 91 173 A G T 3 S- 0 0 53 1,-0.3 4,-0.1 -2,-0.1 -2,-0.1 -0.381 136.3 -0.1 70.2-128.9 9.0 3.6 22.3 92 174 A I T > S+ 0 0 66 -2,-0.2 3,-2.1 2,-0.1 -6,-0.3 0.707 109.0 106.6 -66.0 -22.7 5.4 5.0 22.1 93 175 A N T < S+ 0 0 55 -3,-1.5 -4,-0.3 1,-0.3 -32,-0.2 -0.294 81.5 23.8 -61.0 145.6 6.3 7.6 24.7 94 176 A G T 3 S+ 0 0 0 -7,-1.3 -1,-0.3 -8,-0.6 30,-0.1 0.098 96.6 126.2 80.7 -20.9 6.8 11.0 23.2 95 177 A D < - 0 0 12 -3,-2.1 -9,-2.2 -8,-0.2 2,-0.4 -0.290 46.6-151.7 -79.1 156.7 4.5 10.1 20.3 96 178 A A E -dE 62 85B 0 -35,-1.7 -33,-1.9 -11,-0.2 2,-0.4 -0.997 6.1-164.9-132.8 126.7 1.5 12.2 19.3 97 179 A H E -dE 63 84B 15 -13,-2.8 -13,-2.4 -2,-0.4 2,-0.4 -0.918 6.0-154.9-114.6 141.6 -1.6 10.8 17.5 98 180 A F E -dE 64 83B 4 -35,-2.3 -33,-2.8 -2,-0.4 2,-0.6 -0.954 20.9-122.4-123.1 126.4 -4.2 13.0 15.7 99 181 A D E > -d 65 0B 0 -17,-2.9 3,-1.8 -2,-0.4 -33,-0.2 -0.545 17.3-162.4 -74.0 115.1 -7.8 11.9 15.2 100 182 A D T 3 S+ 0 0 10 -35,-3.1 -34,-0.2 -2,-0.6 -1,-0.2 0.504 81.6 81.4 -83.1 0.5 -8.5 12.1 11.5 101 183 A D T 3 S+ 0 0 47 -36,-0.4 -1,-0.3 -24,-0.2 2,-0.2 0.526 83.8 80.8 -72.0 -6.1 -12.3 12.0 12.1 102 184 A E S < S- 0 0 11 -3,-1.8 2,-0.8 -20,-0.2 -77,-0.1 -0.666 92.9-119.7 -83.9 160.0 -11.6 15.7 12.7 103 185 A Q - 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