==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 13-FEB-12 4DPE . 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) . 17079.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 50.7 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 . 19 5.7 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 1 1 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 97 0, 0.0 2,-0.4 0, 0.0 129,-0.1 0.000 360.0 360.0 360.0 167.9 -20.4 -24.6 -18.1 2 84 A R - 0 0 84 126,-0.5 126,-2.6 135,-0.0 2,-0.2 -0.984 360.0-153.4-137.0 146.6 -20.8 -21.0 -17.2 3 85 A T B -A 127 0A 35 -2,-0.4 124,-0.2 124,-0.3 126,-0.1 -0.638 37.0 -90.4-103.1 177.4 -23.3 -18.3 -18.1 4 86 A F > - 0 0 11 122,-1.2 3,-2.2 4,-0.3 2,-0.2 -0.351 60.5 -76.2 -78.2 163.1 -22.6 -14.5 -18.2 5 87 A P T 3 S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 323,-0.0 -0.443 122.5 16.7 -69.9 133.5 -23.2 -12.4 -15.0 6 88 A G T 3 S- 0 0 78 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.407 116.4 -99.2 91.1 -0.2 -26.9 -11.8 -14.3 7 89 A I < - 0 0 93 -3,-2.2 -1,-0.2 1,-0.1 2,-0.1 0.949 45.5-156.1 48.1 58.5 -27.6 -14.6 -16.8 8 90 A P + 0 0 42 0, 0.0 2,-0.3 0, 0.0 -4,-0.3 -0.486 25.3 168.7 -55.2 126.8 -28.5 -12.3 -19.8 9 91 A K - 0 0 87 -2,-0.1 117,-0.1 -3,-0.1 116,-0.1 -0.984 42.3 -97.0-143.1 155.7 -30.7 -14.5 -22.0 10 92 A W - 0 0 16 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.411 29.0-150.1 -65.1 146.3 -32.9 -13.9 -25.0 11 93 A R S S+ 0 0 238 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.029 75.8 53.8-115.7 30.9 -36.5 -13.5 -23.9 12 94 A K S S- 0 0 98 1,-0.0 -2,-0.0 0, 0.0 3,-0.0 -0.921 73.5-137.8-148.1 159.9 -38.2 -14.9 -27.0 13 95 A T S S+ 0 0 81 -2,-0.3 36,-2.2 1,-0.1 2,-0.7 0.712 84.4 74.8 -99.5 -21.1 -37.6 -18.3 -28.6 14 96 A H E -b 49 0B 86 34,-0.2 2,-0.3 36,-0.1 36,-0.2 -0.813 65.4-176.8 -97.1 115.7 -37.6 -17.2 -32.2 15 97 A L E -b 50 0B 0 34,-3.0 36,-1.9 -2,-0.7 2,-0.3 -0.848 14.8-145.0-113.4 148.6 -34.3 -15.4 -33.2 16 98 A T E -b 51 0B 25 -2,-0.3 44,-2.3 34,-0.2 2,-0.3 -0.752 14.7-172.0-106.9 150.7 -33.2 -13.7 -36.4 17 99 A Y E -bc 52 60B 13 34,-2.2 36,-2.5 -2,-0.3 2,-0.4 -0.979 5.5-163.7-132.6 158.2 -29.7 -13.6 -37.9 18 100 A R E - c 0 61B 69 42,-2.1 44,-3.1 -2,-0.3 2,-0.9 -0.986 18.0-142.3-140.6 136.2 -28.1 -11.8 -40.8 19 101 A I E - c 0 62B 15 34,-0.4 44,-0.2 -2,-0.4 42,-0.1 -0.832 21.6-172.8 -95.1 104.3 -24.8 -12.4 -42.6 20 102 A V - 0 0 52 42,-2.5 2,-0.3 -2,-0.9 43,-0.2 0.753 60.8 -5.7 -71.2 -34.4 -23.8 -8.8 -43.2 21 103 A N - 0 0 64 41,-0.6 2,-0.4 -3,-0.1 -1,-0.1 -0.950 67.3-118.4-158.4 173.4 -20.7 -9.6 -45.4 22 104 A Y - 0 0 63 -2,-0.3 6,-0.1 41,-0.1 41,-0.0 -0.959 19.8-121.9-132.0 133.7 -18.6 -12.4 -46.7 23 105 A T > - 0 0 5 -2,-0.4 3,-0.8 1,-0.1 8,-0.1 -0.479 17.4-133.9 -66.7 144.8 -14.9 -13.4 -46.3 24 106 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.615 96.1 80.0 -67.0 -15.5 -12.8 -13.8 -49.6 25 107 A D T 3 S+ 0 0 40 77,-0.1 78,-0.0 2,-0.0 -2,-0.0 0.693 97.0 26.1 -66.4 -26.2 -11.5 -17.1 -48.1 26 108 A L S < S- 0 0 26 -3,-0.8 79,-0.1 79,-0.1 2,-0.0 -0.943 87.7 -90.7-140.0 154.8 -14.5 -19.3 -48.9 27 109 A P >> - 0 0 70 0, 0.0 4,-1.4 0, 0.0 3,-0.7 -0.399 43.6-115.3 -57.1 149.3 -17.3 -19.7 -51.4 28 110 A K H 3> S+ 0 0 144 1,-0.2 4,-2.6 2,-0.2 3,-0.2 0.867 115.2 60.3 -54.8 -40.2 -20.5 -17.9 -50.1 29 111 A D H 3> S+ 0 0 125 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.855 102.7 49.1 -49.0 -46.1 -22.2 -21.3 -49.9 30 112 A A H <> S+ 0 0 12 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.771 110.3 51.4 -71.3 -33.9 -19.7 -22.7 -47.4 31 113 A V H X S+ 0 0 0 -4,-1.4 4,-2.3 -3,-0.2 5,-0.2 0.949 112.3 46.1 -64.6 -50.3 -20.1 -19.5 -45.2 32 114 A D H X S+ 0 0 26 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.892 114.5 49.2 -59.4 -39.3 -23.9 -20.0 -45.2 33 115 A S H X S+ 0 0 44 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.935 109.6 49.0 -66.0 -47.8 -23.5 -23.7 -44.5 34 116 A A H X S+ 0 0 10 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.889 114.9 45.5 -58.8 -45.5 -21.1 -23.2 -41.6 35 117 A V H X S+ 0 0 4 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.942 112.9 50.1 -63.6 -46.0 -23.4 -20.6 -40.0 36 118 A E H X S+ 0 0 65 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.936 112.7 47.5 -59.2 -41.5 -26.6 -22.7 -40.6 37 119 A K H X S+ 0 0 115 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.898 109.7 52.7 -70.9 -37.0 -24.9 -25.7 -39.0 38 120 A A H X S+ 0 0 0 -4,-2.2 4,-0.8 -5,-0.2 -1,-0.2 0.882 111.1 46.0 -65.8 -38.3 -23.7 -23.7 -36.1 39 121 A L H >X S+ 0 0 4 -4,-2.5 4,-2.2 1,-0.2 3,-0.7 0.897 110.5 55.6 -65.4 -41.6 -27.1 -22.4 -35.4 40 122 A K H 3X S+ 0 0 101 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.836 95.9 64.1 -59.7 -40.1 -28.6 -26.0 -35.8 41 123 A V H 3< S+ 0 0 20 -4,-2.0 -1,-0.2 1,-0.2 4,-0.2 0.872 112.7 35.2 -49.1 -44.7 -26.3 -27.4 -33.1 42 124 A W H X< S+ 0 0 0 -4,-0.8 3,-1.0 -3,-0.7 6,-0.3 0.809 112.9 58.3 -79.2 -40.1 -28.0 -25.2 -30.5 43 125 A E H >< S+ 0 0 56 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.879 98.5 63.2 -53.6 -43.4 -31.5 -25.4 -32.0 44 126 A E T 3< S+ 0 0 139 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.720 109.1 37.0 -57.7 -25.6 -31.4 -29.2 -31.6 45 127 A V T < S+ 0 0 25 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.2 0.197 118.9 38.4-119.6 16.6 -31.2 -29.1 -27.9 46 128 A T S < S- 0 0 4 -3,-1.3 119,-0.1 -4,-0.2 115,-0.1 -0.866 87.0-100.7-144.9-177.2 -33.4 -26.2 -27.0 47 129 A P S S+ 0 0 33 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 0.338 79.7 120.8 -92.5 10.4 -36.7 -24.6 -28.0 48 130 A L - 0 0 2 -6,-0.3 2,-0.3 -5,-0.1 -2,-0.2 -0.487 40.2-172.6 -74.1 147.5 -34.9 -21.9 -30.0 49 131 A T E -b 14 0B 61 -36,-2.2 -34,-3.0 -2,-0.2 2,-0.3 -0.939 5.9-153.3-136.9 152.1 -35.5 -21.4 -33.7 50 132 A F E -b 15 0B 24 -2,-0.3 2,-0.4 -36,-0.2 -34,-0.2 -0.969 9.7-173.4-130.4 146.1 -33.7 -19.1 -36.2 51 133 A S E -b 16 0B 44 -36,-1.9 -34,-2.2 -2,-0.3 2,-0.2 -0.992 24.7-120.6-137.8 149.2 -34.5 -17.4 -39.4 52 134 A R E -b 17 0B 44 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.568 19.1-161.5 -83.0 140.3 -32.3 -15.5 -41.8 53 135 A L - 0 0 60 -36,-2.5 -34,-0.4 -2,-0.2 5,-0.1 -0.975 10.2-165.3-118.3 144.7 -32.9 -11.9 -42.7 54 136 A Y S S+ 0 0 171 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.448 76.7 18.7-104.8 -3.2 -31.4 -10.3 -45.8 55 137 A E S S+ 0 0 158 2,-0.1 -1,-0.1 0, 0.0 2,-0.0 -0.959 100.7 32.7-155.9 167.0 -32.1 -6.7 -44.8 56 138 A G S S- 0 0 47 -2,-0.3 2,-0.5 -3,-0.1 -3,-0.1 -0.255 98.9 -39.8 77.1-164.9 -33.0 -4.7 -41.7 57 139 A E - 0 0 111 -2,-0.0 2,-0.3 4,-0.0 -2,-0.1 -0.832 55.3-171.2-105.7 124.5 -31.8 -5.5 -38.2 58 140 A A - 0 0 7 -2,-0.5 3,-0.2 1,-0.1 -41,-0.1 -0.733 34.8-114.3-103.5 167.1 -31.6 -9.1 -37.0 59 141 A D S S+ 0 0 29 -2,-0.3 2,-0.7 1,-0.2 -42,-0.2 0.924 109.0 40.2 -64.7 -48.6 -30.9 -10.2 -33.5 60 142 A I E S-c 17 0B 0 -44,-2.3 -42,-2.1 35,-0.1 2,-0.5 -0.893 74.1-167.6-108.1 99.6 -27.5 -11.8 -34.4 61 143 A M E -c 18 0B 49 -2,-0.7 35,-1.9 30,-0.2 2,-0.4 -0.810 9.8-162.6 -87.4 125.7 -25.6 -9.7 -36.9 62 144 A I E +cd 19 96B 3 -44,-3.1 -42,-2.5 -2,-0.5 -41,-0.6 -0.914 19.4 155.3-113.8 128.9 -22.7 -11.8 -38.3 63 145 A S E - d 0 97B 13 33,-1.8 35,-2.2 -2,-0.4 2,-0.4 -0.988 39.1-125.8-150.6 163.0 -19.7 -10.2 -40.0 64 146 A F E + d 0 98B 12 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.917 39.6 161.3-109.4 139.0 -16.0 -10.5 -41.0 65 147 A A E - d 0 99B 18 33,-2.2 35,-2.6 -2,-0.4 36,-0.4 -0.955 27.2-141.1-148.6 159.8 -13.7 -7.7 -40.0 66 148 A V - 0 0 65 -2,-0.3 33,-0.0 2,-0.3 10,-0.0 -0.972 61.6 -35.1-125.4 151.0 -10.1 -6.9 -39.4 67 149 A R S S+ 0 0 135 -2,-0.3 8,-1.8 7,-0.1 2,-0.3 -0.088 127.3 19.0 46.8-128.8 -8.3 -4.7 -36.8 68 150 A E S S+ 0 0 136 6,-0.2 -2,-0.3 1,-0.1 4,-0.1 -0.486 73.4 157.5 -72.7 123.5 -10.6 -1.7 -35.9 69 151 A H - 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