==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-MAY-12 4F6P . COMPND 2 MOLECULE: METACASPASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR A.H.WONG,C.Y.YAN,Y.G.SHI . 261 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12013.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 17 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 19.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 1 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 1 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 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 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 93 A Y 0 0 181 0, 0.0 186,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 15.0 3.8 -7.7 2 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 3 98 A V 0 0 115 0, 0.0 6,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 135.0 8.4 -6.0 -2.1 4 99 A N > - 0 0 54 4,-2.4 3,-2.3 1,-0.0 5,-0.0 -0.216 360.0 -75.6 -99.1-169.9 5.1 -7.4 -3.5 5 100 A A T 3 S+ 0 0 111 1,-0.3 -1,-0.0 2,-0.1 0, 0.0 0.630 131.5 54.8 -64.4 -13.9 2.9 -10.4 -2.8 6 101 A S T 3 S- 0 0 57 2,-0.2 -1,-0.3 219,-0.0 3,-0.1 0.305 116.5-114.5 -99.8 6.6 5.4 -12.6 -4.6 7 102 A N S < S+ 0 0 106 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.749 79.5 118.6 65.9 25.9 8.2 -11.3 -2.4 8 103 A M S S- 0 0 23 213,-0.0 -4,-2.4 1,-0.0 2,-0.3 -0.760 75.9 -86.3-117.8 163.9 9.9 -9.7 -5.4 9 104 A Y - 0 0 97 -2,-0.3 227,-0.1 -6,-0.2 226,-0.0 -0.543 46.6-128.4 -70.0 129.7 10.7 -6.1 -6.2 10 105 A G - 0 0 40 -2,-0.3 3,-0.1 1,-0.1 218,-0.1 -0.560 13.4-128.9 -78.4 141.7 7.8 -4.3 -7.8 11 106 A P - 0 0 40 0, 0.0 -1,-0.1 0, 0.0 249,-0.1 -0.180 56.1 -59.9 -68.0 178.1 8.2 -2.5 -11.1 12 107 A P - 0 0 42 0, 0.0 3,-0.2 0, 0.0 220,-0.0 -0.348 50.0-116.6 -62.4 147.1 6.9 1.1 -11.2 13 108 A Q S S+ 0 0 181 1,-0.3 2,-0.5 -3,-0.1 0, 0.0 0.856 110.8 33.4 -52.4 -39.8 3.2 1.4 -10.4 14 109 A N S S- 0 0 125 2,-0.0 2,-0.5 0, 0.0 -1,-0.3 -0.928 80.1-179.9-123.0 105.6 2.7 2.8 -13.9 15 110 A M - 0 0 43 -2,-0.5 2,-0.2 -3,-0.2 246,-0.1 -0.905 12.6-149.3-112.8 128.2 5.1 1.3 -16.4 16 111 A S - 0 0 78 -2,-0.5 246,-2.9 244,-0.3 -2,-0.0 -0.620 18.9-113.3 -93.2 152.6 5.1 2.3 -20.1 17 112 A L - 0 0 97 -2,-0.2 246,-0.1 244,-0.2 -1,-0.1 -0.485 56.3 -79.5 -68.3 153.0 6.0 0.2 -23.1 18 113 A P - 0 0 2 0, 0.0 -1,-0.1 0, 0.0 245,-0.0 -0.310 60.6 -98.0 -53.7 143.2 9.2 1.5 -24.9 19 114 A P - 0 0 27 0, 0.0 15,-0.5 0, 0.0 4,-0.1 -0.337 21.2-147.6 -67.2 142.9 8.2 4.5 -27.0 20 115 A P S S+ 0 0 74 0, 0.0 3,-0.1 0, 0.0 16,-0.1 0.782 71.6 95.0 -81.2 -25.4 7.7 3.9 -30.7 21 116 A Q S S- 0 0 127 1,-0.1 13,-0.3 12,-0.1 2,-0.0 -0.335 90.6 -96.6 -68.3 142.7 9.0 7.3 -31.7 22 117 A T - 0 0 70 11,-0.1 2,-0.3 1,-0.1 11,-0.2 -0.319 43.2-143.8 -53.2 135.5 12.6 7.7 -32.7 23 118 A Q E -A 32 0A 54 9,-3.5 9,-2.1 -4,-0.1 2,-0.3 -0.698 10.2-153.5-105.2 157.9 14.8 8.8 -29.8 24 119 A T E -A 31 0A 111 -2,-0.3 2,-0.4 7,-0.2 5,-0.1 -0.922 12.9-127.1-130.0 157.1 17.7 11.2 -29.8 25 120 A I > - 0 0 18 5,-0.6 3,-1.4 -2,-0.3 5,-0.4 -0.879 34.8-109.4-103.7 133.9 20.8 11.7 -27.6 26 121 A Q T 3 S+ 0 0 185 -2,-0.4 3,-0.1 1,-0.2 168,-0.0 -0.305 98.3 17.7 -60.9 140.5 21.5 15.2 -26.3 27 122 A G T 3 S+ 0 0 80 1,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.511 118.0 65.5 80.1 5.3 24.5 17.0 -27.7 28 123 A T S < S- 0 0 51 -3,-1.4 -3,-0.2 2,-0.1 -1,-0.2 -0.947 80.2-117.2-152.0 172.9 24.7 14.8 -30.8 29 124 A D + 0 0 151 -2,-0.3 -3,-0.1 -5,-0.1 -2,-0.0 -0.266 68.5 123.6-107.0 43.8 23.0 13.8 -34.1 30 125 A Q - 0 0 63 -5,-0.4 -5,-0.6 -2,-0.0 2,-0.1 -0.857 39.9-168.7-116.2 99.8 22.6 10.1 -33.2 31 126 A P E +A 24 0A 48 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.429 6.2 179.3 -81.5 158.4 19.1 8.6 -33.3 32 127 A Y E -A 23 0A 19 -9,-2.1 -9,-3.5 -2,-0.1 2,-0.4 -0.965 12.3-151.3-149.7 163.2 18.0 5.3 -31.9 33 128 A Q - 0 0 28 165,-1.6 128,-0.5 -2,-0.3 2,-0.2 -0.994 15.4-130.2-141.5 126.9 14.7 3.4 -31.7 34 129 A Y - 0 0 4 -15,-0.5 2,-0.2 -2,-0.4 129,-0.1 -0.554 34.1-116.8 -66.8 139.7 13.4 0.9 -29.3 35 130 A S - 0 0 0 -2,-0.2 127,-0.1 1,-0.1 126,-0.1 -0.589 9.3-150.0 -75.4 142.6 12.0 -2.2 -31.0 36 131 A Q - 0 0 45 -2,-0.2 -1,-0.1 125,-0.2 229,-0.1 0.551 31.3-135.3 -83.8 -8.7 8.3 -2.9 -30.4 37 132 A C + 0 0 7 79,-0.3 79,-0.2 1,-0.1 80,-0.1 0.842 68.9 123.7 60.8 36.6 9.1 -6.6 -30.8 38 133 A T + 0 0 109 77,-0.6 78,-0.2 78,-0.1 -1,-0.1 0.440 58.6 68.4-102.4 -4.5 6.1 -7.1 -33.1 39 134 A G S S- 0 0 36 76,-2.8 77,-0.2 1,-0.3 2,-0.2 0.237 99.1 -25.8 -95.3-147.6 8.2 -8.5 -36.0 40 135 A R - 0 0 131 73,-0.1 77,-3.0 1,-0.0 2,-0.5 -0.454 52.3-150.8 -70.9 140.1 10.2 -11.7 -36.6 41 136 A R E +b 117 0B 77 35,-0.2 37,-0.5 75,-0.2 2,-0.3 -0.963 23.8 164.8-113.9 117.6 11.6 -13.5 -33.6 42 137 A K E -b 118 0B 15 75,-1.1 77,-2.4 -2,-0.5 2,-0.4 -0.969 13.6-164.0-129.6 146.5 14.8 -15.5 -34.2 43 138 A A E -bc 119 82B 0 38,-2.1 40,-2.5 -2,-0.3 2,-0.5 -0.988 15.3-161.1-134.1 146.2 17.3 -16.9 -31.6 44 139 A L E -bc 120 83B 0 75,-2.5 77,-2.6 -2,-0.4 2,-0.5 -0.993 18.8-175.9-119.0 119.2 20.8 -18.3 -31.6 45 140 A I E -bc 121 84B 0 38,-2.7 40,-2.8 -2,-0.5 2,-0.5 -0.973 1.2-173.8-121.0 126.7 21.5 -20.4 -28.5 46 141 A I E +bc 122 85B 0 75,-2.4 77,-2.4 -2,-0.5 2,-0.4 -0.975 7.7 173.3-130.0 122.2 25.0 -21.7 -27.9 47 142 A G E -bc 123 86B 0 38,-2.6 40,-0.8 -2,-0.5 2,-0.5 -0.989 6.4-176.8-130.8 124.0 26.0 -24.1 -25.1 48 143 A I + 0 0 0 75,-2.3 12,-0.1 -2,-0.4 87,-0.1 -0.973 19.8 169.6-129.5 118.7 29.4 -25.7 -24.9 49 144 A N - 0 0 23 -2,-0.5 8,-3.1 11,-0.1 3,-0.1 0.575 41.0-135.2 -97.1 -13.4 30.7 -28.2 -22.3 50 145 A Y > - 0 0 5 6,-0.2 3,-2.1 1,-0.2 5,-0.2 0.939 30.1-150.4 57.2 49.1 34.0 -29.0 -24.1 51 146 A I T 3 S+ 0 0 87 1,-0.3 -1,-0.2 36,-0.2 3,-0.1 -0.261 71.4 13.6 -59.5 126.9 33.3 -32.7 -23.5 52 147 A G T 3 S+ 0 0 72 1,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.278 100.7 117.9 94.4 -10.2 36.5 -34.7 -23.1 53 148 A S S X S- 0 0 52 -3,-2.1 3,-1.3 -4,-0.1 -1,-0.3 -0.393 79.7-107.7 -88.3 167.9 38.8 -31.8 -22.7 54 149 A K T 3 S+ 0 0 208 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.1 0.703 120.9 40.9 -66.4 -21.5 41.0 -30.8 -19.8 55 150 A N T 3 S+ 0 0 109 -5,-0.2 -1,-0.3 2,-0.0 -4,-0.1 -0.215 81.1 165.1-121.1 43.2 38.6 -28.0 -18.9 56 151 A Q < - 0 0 90 -3,-1.3 2,-0.3 1,-0.1 -6,-0.2 -0.286 25.2-143.8 -54.7 139.9 35.3 -29.7 -19.6 57 152 A L - 0 0 39 -8,-3.1 2,-0.4 68,-0.0 -1,-0.1 -0.747 1.7-137.8-109.0 157.1 32.4 -27.7 -18.1 58 153 A R S S+ 0 0 185 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.918 78.4 14.9-110.2 140.2 29.2 -28.9 -16.4 59 154 A G S > S+ 0 0 10 -2,-0.4 4,-2.2 152,-0.1 153,-0.4 0.181 85.5 104.9 97.7 -15.5 25.9 -27.3 -17.1 60 155 A C H > S+ 0 0 9 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.883 83.4 47.7 -74.3 -38.7 26.4 -25.2 -20.2 61 156 A I H > S+ 0 0 6 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.926 113.0 50.8 -62.2 -43.1 24.6 -27.5 -22.6 62 157 A N H > S+ 0 0 86 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.889 105.1 56.8 -61.5 -37.7 21.8 -27.6 -20.1 63 158 A D H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.921 107.2 49.3 -58.0 -47.2 21.7 -23.8 -19.9 64 159 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.914 110.2 49.2 -58.0 -44.3 21.2 -23.8 -23.7 65 160 A H H X S+ 0 0 74 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.896 108.8 54.9 -64.8 -35.6 18.3 -26.3 -23.4 66 161 A N H X S+ 0 0 59 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.927 110.4 44.5 -60.9 -46.7 16.8 -24.1 -20.7 67 162 A I H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.903 111.3 53.6 -66.5 -39.4 16.8 -21.0 -22.8 68 163 A F H X S+ 0 0 40 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.950 113.0 43.9 -57.6 -49.2 15.4 -23.0 -25.8 69 164 A N H X S+ 0 0 83 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.906 113.4 50.9 -65.6 -40.9 12.5 -24.2 -23.7 70 165 A F H < S+ 0 0 19 -4,-2.6 5,-0.3 -5,-0.2 4,-0.3 0.930 114.4 43.3 -60.1 -47.1 11.9 -20.8 -22.1 71 166 A L H >X S+ 0 0 0 -4,-2.9 6,-1.5 1,-0.2 4,-1.3 0.862 116.4 45.1 -71.1 -36.8 11.8 -19.0 -25.5 72 167 A T H 3< S+ 0 0 38 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.722 114.5 47.6 -80.0 -21.6 9.7 -21.6 -27.4 73 168 A N T 3< S+ 0 0 132 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.285 131.1 8.4-107.6 10.9 7.1 -22.1 -24.6 74 169 A G T <4 S+ 0 0 56 -3,-0.5 -3,-0.2 -4,-0.3 -2,-0.2 0.434 120.9 53.3-157.0 -15.7 6.3 -18.5 -23.7 75 170 A Y S < S- 0 0 42 -4,-1.3 -3,-0.1 -5,-0.3 3,-0.1 0.253 96.9-107.6-129.5 13.1 7.9 -16.0 -26.1 76 171 A G + 0 0 53 1,-0.2 2,-0.8 -4,-0.2 -35,-0.2 0.712 63.9 145.3 72.7 23.1 6.9 -16.9 -29.7 77 172 A Y - 0 0 3 -6,-1.5 -1,-0.2 -9,-0.1 2,-0.2 -0.862 40.2-145.5 -91.9 113.3 10.3 -18.2 -30.9 78 173 A S > - 0 0 53 -2,-0.8 3,-2.0 -37,-0.5 -35,-0.2 -0.516 17.6-122.0 -79.0 147.2 9.5 -21.0 -33.3 79 174 A S G > S+ 0 0 75 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.831 114.5 58.3 -55.4 -34.5 11.8 -24.0 -33.5 80 175 A D G 3 S+ 0 0 148 1,-0.3 -1,-0.3 3,-0.0 -38,-0.0 0.654 106.5 49.9 -69.9 -15.4 12.3 -23.3 -37.2 81 176 A D G < S+ 0 0 32 -3,-2.0 -38,-2.1 -40,-0.0 2,-0.4 0.108 97.8 84.0-110.8 17.6 13.6 -19.8 -36.2 82 177 A I E < -c 43 0B 17 -3,-1.4 2,-0.6 -40,-0.2 -38,-0.2 -0.987 55.2-164.4-122.4 130.4 16.1 -21.1 -33.6 83 178 A V E -c 44 0B 39 -40,-2.5 -38,-2.7 -2,-0.4 2,-0.5 -0.977 13.1-173.0-106.1 120.9 19.6 -22.3 -34.2 84 179 A I E -c 45 0B 25 -2,-0.6 2,-0.6 -40,-0.2 -38,-0.2 -0.976 4.0-165.9-116.7 123.7 20.9 -24.1 -31.2 85 180 A L E +c 46 0B 2 -40,-2.8 -38,-2.6 -2,-0.5 2,-0.3 -0.934 18.6 157.4-112.5 117.8 24.5 -25.2 -31.1 86 181 A T E > -c 47 0B 5 8,-1.5 3,-0.6 -2,-0.6 -38,-0.2 -0.979 39.7-135.2-139.0 153.1 25.7 -27.7 -28.5 87 182 A D T 3 S+ 0 0 26 -40,-0.8 -36,-0.2 -2,-0.3 8,-0.1 0.086 92.9 63.0-101.2 25.8 28.6 -30.2 -28.4 88 183 A D T 3 S+ 0 0 85 -38,-0.0 -1,-0.2 -27,-0.0 2,-0.2 0.228 86.1 87.6-124.5 10.7 26.9 -33.4 -27.2 89 184 A Q S < S- 0 0 52 -3,-0.6 5,-0.0 2,-0.1 -4,-0.0 -0.539 77.8-115.9-114.1 178.7 24.6 -34.0 -30.0 90 185 A N S S+ 0 0 168 -2,-0.2 2,-0.6 4,-0.0 -3,-0.0 0.311 79.9 90.4-106.7 8.3 24.9 -35.8 -33.3 91 186 A D > - 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