==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 17-MAY-11 3AYU . COMPND 2 MOLECULE: 72 KDA TYPE IV COLLAGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.HASHIMOTO,T.TAKEUCHI,K.KOMATSU,K.MIYAZAKI,M.SATO,S.HIGASHI . 176 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8356.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 97 55.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 5.1 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 . 1 0.6 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 . 15 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 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 PARALLEL BRIDGES PER LADDER . 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 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 1 A Y 0 0 91 0, 0.0 2,-0.3 0, 0.0 130,-0.1 0.000 360.0 360.0 360.0 158.2 11.5 0.7 -6.1 2 2 A N E -A 129 0A 72 127,-0.6 127,-2.6 136,-0.0 2,-0.3 -0.965 360.0-147.7-143.3 161.4 10.8 -0.1 -9.7 3 3 A F E -A 128 0A 38 -2,-0.3 125,-0.2 125,-0.3 3,-0.1 -0.783 31.8 -94.7-120.8 163.5 7.9 -0.6 -12.2 4 4 A F > - 0 0 4 123,-0.9 3,-2.3 -2,-0.3 -1,-0.1 -0.352 66.0 -69.2 -67.3 158.6 7.3 -2.8 -15.3 5 5 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.304 125.2 11.6 -52.2 132.3 8.0 -1.1 -18.6 6 6 A R T 3 S- 0 0 220 1,-0.2 -2,-0.1 -3,-0.1 0, 0.0 0.537 114.8 -98.7 70.7 12.8 5.4 1.5 -19.4 7 7 A K < - 0 0 94 -3,-2.3 -1,-0.2 1,-0.1 2,-0.1 0.899 47.3-158.5 45.1 62.8 4.1 1.4 -15.8 8 8 A P + 0 0 34 0, 0.0 2,-0.3 0, 0.0 -4,-0.2 -0.437 20.5 164.6 -65.5 143.0 1.1 -0.9 -16.2 9 9 A K - 0 0 89 78,-0.1 2,-0.2 -2,-0.1 118,-0.1 -0.971 44.3 -83.6-152.1 164.3 -1.5 -0.6 -13.4 10 10 A W - 0 0 11 116,-0.3 5,-0.0 -2,-0.3 116,-0.0 -0.537 31.9-143.1 -68.6 136.2 -5.1 -1.6 -12.6 11 11 A D S S+ 0 0 139 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.297 81.9 41.9 -86.5 8.9 -7.5 1.1 -14.0 12 12 A K S S- 0 0 69 1,-0.1 -2,-0.1 0, 0.0 36,-0.0 -0.961 72.2-134.0-148.1 159.0 -9.8 0.8 -11.0 13 13 A N S S+ 0 0 69 -2,-0.3 36,-3.0 35,-0.1 2,-0.8 0.645 88.3 80.0 -90.8 -20.5 -9.4 0.4 -7.2 14 14 A Q E +b 49 0B 123 34,-0.2 2,-0.4 36,-0.1 36,-0.2 -0.823 65.2 178.5 -90.2 107.2 -11.9 -2.4 -6.7 15 15 A I E -b 50 0B 1 34,-2.8 36,-2.7 -2,-0.8 2,-0.3 -0.910 16.2-146.5-114.9 134.3 -10.0 -5.6 -7.7 16 16 A T E -b 51 0B 40 -2,-0.4 44,-2.5 34,-0.2 2,-0.3 -0.723 13.2-171.1 -97.4 150.4 -11.4 -9.1 -7.6 17 17 A Y E -bc 52 60B 21 34,-2.3 36,-2.3 -2,-0.3 2,-0.3 -0.959 5.0-166.5-132.7 158.4 -9.5 -12.3 -6.9 18 18 A R E - c 0 61B 58 42,-2.0 44,-3.4 -2,-0.3 2,-0.8 -0.977 17.2-142.9-145.0 131.5 -10.3 -16.0 -7.1 19 19 A I E + c 0 62B 15 34,-0.4 44,-0.2 -2,-0.3 3,-0.1 -0.846 21.8 178.3 -96.0 106.6 -8.5 -19.0 -5.6 20 20 A I + 0 0 71 42,-3.3 2,-0.3 -2,-0.8 43,-0.2 0.722 60.7 7.7 -84.5 -27.2 -8.9 -21.7 -8.3 21 21 A G - 0 0 13 41,-0.6 2,-0.2 44,-0.0 -1,-0.2 -0.974 64.2-135.6-154.8 170.8 -6.9 -24.4 -6.6 22 22 A Y - 0 0 86 -2,-0.3 42,-0.1 41,-0.1 78,-0.1 -0.723 14.1-120.5-129.0 165.9 -5.2 -25.5 -3.4 23 23 A T > - 0 0 8 -2,-0.2 3,-0.8 3,-0.1 8,-0.1 -0.872 16.0-137.9-103.8 143.8 -2.0 -27.1 -2.1 24 24 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 76,-0.0 0.575 95.0 79.8 -69.2 -8.4 -2.0 -30.3 0.1 25 25 A D T 3 S+ 0 0 52 2,-0.0 2,-0.3 75,-0.0 78,-0.0 0.762 99.0 24.3 -73.4 -28.7 0.6 -28.6 2.3 26 26 A L S < S- 0 0 37 -3,-0.8 -3,-0.1 79,-0.1 79,-0.0 -0.922 89.7 -91.0-137.0 156.5 -1.8 -26.5 4.3 27 27 A D > - 0 0 93 -2,-0.3 4,-2.0 1,-0.1 3,-0.4 -0.417 41.1-120.0 -60.5 141.9 -5.5 -26.4 5.4 28 28 A P H > S+ 0 0 70 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.856 115.3 55.7 -57.1 -34.9 -7.6 -24.5 2.8 29 29 A E H > S+ 0 0 154 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.882 107.5 48.3 -62.4 -41.3 -8.6 -22.0 5.5 30 30 A T H > S+ 0 0 46 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.858 112.2 49.8 -64.9 -38.3 -4.9 -21.3 6.2 31 31 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.960 111.9 47.2 -64.7 -52.7 -4.3 -20.8 2.5 32 32 A D H X S+ 0 0 31 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.889 113.5 48.4 -52.9 -47.0 -7.3 -18.4 2.1 33 33 A D H X S+ 0 0 78 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.908 108.6 54.1 -63.6 -42.9 -6.1 -16.4 5.2 34 34 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.910 112.4 43.5 -57.0 -47.7 -2.5 -16.3 3.9 35 35 A F H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.919 112.5 52.7 -64.8 -45.2 -3.7 -14.8 0.6 36 36 A A H X S+ 0 0 40 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.924 111.9 45.5 -55.4 -47.2 -6.2 -12.4 2.4 37 37 A R H X S+ 0 0 94 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.871 108.8 56.8 -68.7 -33.6 -3.4 -11.1 4.6 38 38 A A H X S+ 0 0 0 -4,-1.9 4,-0.7 -5,-0.2 -1,-0.2 0.904 109.4 45.5 -61.9 -43.1 -1.1 -10.8 1.6 39 39 A F H >X S+ 0 0 4 -4,-2.2 4,-2.2 1,-0.2 3,-0.8 0.868 106.7 59.5 -64.4 -40.0 -3.6 -8.5 -0.1 40 40 A Q H 3X S+ 0 0 99 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.825 92.4 67.7 -60.9 -34.3 -4.1 -6.5 3.1 41 41 A V H 3< S+ 0 0 12 -4,-1.5 -1,-0.2 1,-0.2 4,-0.2 0.912 111.1 34.5 -45.8 -47.2 -0.4 -5.6 3.0 42 42 A W H X< S+ 0 0 0 -3,-0.8 3,-1.3 -4,-0.7 4,-0.5 0.856 113.8 55.2 -82.9 -37.8 -1.1 -3.5 -0.1 43 43 A S H 3< S+ 0 0 10 -4,-2.2 3,-0.5 1,-0.3 -2,-0.2 0.769 96.2 71.2 -69.2 -20.6 -4.6 -2.3 0.7 44 44 A D T 3< S+ 0 0 110 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.755 111.8 26.4 -56.9 -30.3 -3.1 -0.9 4.0 45 45 A V S < S+ 0 0 28 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.2 0.238 121.9 45.1-128.0 10.7 -1.3 1.8 2.0 46 46 A T S S- 0 0 0 -4,-0.5 118,-0.2 -3,-0.5 119,-0.1 -0.904 84.4-107.7-140.2 170.3 -3.4 2.4 -1.2 47 47 A P S S+ 0 0 24 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 0.276 77.3 127.6 -81.6 13.2 -7.0 2.8 -2.1 48 48 A L - 0 0 0 -6,-0.3 2,-0.4 -34,-0.1 -2,-0.2 -0.529 40.2-169.6 -71.8 133.4 -6.9 -0.7 -3.6 49 49 A R E -b 14 0B 99 -36,-3.0 -34,-2.8 -2,-0.2 2,-0.5 -0.998 7.8-151.5-130.5 126.2 -9.6 -3.0 -2.2 50 50 A F E -b 15 0B 32 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.866 10.8-171.9-108.7 122.9 -9.6 -6.7 -2.9 51 51 A S E -b 16 0B 57 -36,-2.7 -34,-2.3 -2,-0.5 2,-0.2 -0.960 17.0-135.0-117.8 130.1 -12.8 -8.7 -3.1 52 52 A R E -b 17 0B 77 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.545 20.8-174.8 -80.0 143.6 -12.9 -12.5 -3.4 53 53 A I - 0 0 49 -36,-2.3 -34,-0.4 -2,-0.2 5,-0.1 -0.936 19.7-156.3-130.4 159.2 -15.2 -14.3 -5.8 54 54 A H S S+ 0 0 137 -2,-0.3 2,-0.3 1,-0.1 -36,-0.1 0.324 76.0 44.4-116.1 3.0 -15.9 -18.0 -6.2 55 55 A D S S+ 0 0 135 2,-0.0 -1,-0.1 0, 0.0 2,-0.0 -0.993 95.4 11.6-147.0 150.2 -17.1 -18.1 -9.9 56 56 A G S S- 0 0 29 -2,-0.3 2,-0.8 -3,-0.1 -3,-0.1 -0.171 99.4 -35.9 79.6-173.1 -16.1 -16.5 -13.2 57 57 A E - 0 0 156 4,-0.0 2,-0.2 2,-0.0 -41,-0.1 -0.780 56.5-165.4 -94.6 110.5 -12.9 -14.6 -14.1 58 58 A A - 0 0 8 -2,-0.8 3,-0.2 1,-0.1 -41,-0.1 -0.521 33.1-113.6 -82.0 159.4 -11.5 -12.5 -11.3 59 59 A D S S+ 0 0 43 1,-0.2 2,-0.8 -2,-0.2 -42,-0.2 0.964 112.5 39.6 -53.7 -53.6 -8.8 -9.8 -12.1 60 60 A I E S-c 17 0B 0 -44,-2.5 -42,-2.0 35,-0.1 2,-0.6 -0.868 78.0-165.8-105.6 101.8 -6.3 -11.8 -10.1 61 61 A M E -c 18 0B 18 -2,-0.8 35,-1.9 -3,-0.2 2,-0.4 -0.809 10.8-160.2 -88.3 120.5 -6.7 -15.6 -10.7 62 62 A I E +cd 19 96B 0 -44,-3.4 -42,-3.3 -2,-0.6 -41,-0.6 -0.878 21.2 148.7-109.9 133.6 -4.8 -17.5 -8.0 63 63 A N E - d 0 97B 57 33,-1.7 35,-2.1 -2,-0.4 2,-0.3 -0.981 40.6-121.4-154.4 161.4 -3.7 -21.1 -8.4 64 64 A F E + d 0 98B 16 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.821 39.4 169.6 -99.8 149.0 -1.1 -23.7 -7.5 65 65 A G E - d 0 99B 10 33,-2.5 35,-2.8 -2,-0.3 36,-0.5 -0.967 26.0-142.9-152.9 168.0 0.8 -25.5 -10.3 66 66 A R - 0 0 118 -2,-0.3 33,-0.0 33,-0.2 -2,-0.0 -0.994 64.9 -35.5-135.9 142.7 3.6 -27.8 -11.2 67 67 A W S S+ 0 0 149 -2,-0.3 8,-2.8 7,-0.1 2,-0.5 -0.137 129.6 9.0 47.4-134.5 6.0 -27.7 -14.2 68 68 A E S S+ 0 0 100 6,-0.3 -2,-0.2 1,-0.1 8,-0.0 -0.662 72.4 170.0 -75.4 122.4 3.9 -26.6 -17.3 69 69 A H - 0 0 51 -2,-0.5 -1,-0.1 4,-0.1 -2,-0.1 0.099 61.5 -74.9-128.2 21.6 0.6 -25.4 -15.9 70 70 A G S S+ 0 0 72 -5,-0.0 -2,-0.1 0, 0.0 -5,-0.0 0.324 114.3 77.1 113.0 -5.8 -1.2 -23.7 -18.8 71 71 A D S S- 0 0 35 2,-0.1 -3,-0.0 21,-0.0 21,-0.0 0.371 96.2-115.5-115.4 3.1 0.5 -20.3 -19.3 72 72 A G S S+ 0 0 55 1,-0.1 -4,-0.1 0, 0.0 0, 0.0 0.587 92.1 103.0 72.9 9.0 3.7 -21.4 -21.1 73 73 A Y - 0 0 102 -6,-0.1 -1,-0.1 11,-0.0 -4,-0.1 -0.793 66.1-158.9-115.3 81.9 5.8 -20.1 -18.2 74 74 A P - 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