==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-MAY-12 4F6O . COMPND 2 MOLECULE: METACASPASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR A.H.WONG,C.Y.YAN,Y.G.SHI . 268 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12533.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 60.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 10.8 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 . 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 . 20 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 19.8 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 0 0 1 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 . 3 1 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 . 0 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 90 A S 0 0 183 0, 0.0 2,-0.4 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 110.2 13.0 -7.6 0.0 2 91 A N > + 0 0 59 4,-0.2 4,-3.0 1,-0.1 0, 0.0 -0.871 360.0 176.1-140.4 99.7 14.4 -6.0 3.2 3 92 A G T 4 S+ 0 0 63 -2,-0.4 -1,-0.1 2,-0.2 5,-0.1 0.656 85.4 58.3 -79.0 -18.1 12.2 -4.1 5.6 4 93 A Y T 4 S+ 0 0 70 2,-0.1 -1,-0.1 1,-0.1 189,-0.1 0.983 124.0 19.4 -64.6 -67.6 15.1 -3.7 8.0 5 94 A N T 4 S+ 0 0 63 1,-0.2 -2,-0.2 187,-0.1 -1,-0.1 0.830 130.9 44.0 -76.1 -37.0 17.2 -1.9 5.5 6 95 A N S < S+ 0 0 111 -4,-3.0 -1,-0.2 9,-0.0 -4,-0.2 -0.645 73.3 178.8-113.4 77.2 14.6 -0.7 2.9 7 96 A P - 0 0 22 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.384 33.7-102.2 -75.7 155.3 11.6 0.7 4.8 8 97 A N - 0 0 142 8,-0.1 8,-2.5 9,-0.1 2,-0.4 -0.278 32.8-117.6 -69.2 162.4 8.7 2.1 2.8 9 98 A V B -A 15 0A 76 6,-0.2 6,-0.2 4,-0.0 -1,-0.1 -0.886 28.9-149.4-106.9 130.8 8.2 5.9 2.5 10 99 A N > - 0 0 49 4,-2.9 3,-2.4 -2,-0.4 -1,-0.0 -0.204 36.8 -82.1 -93.3-174.1 5.1 7.5 4.0 11 100 A A T 3 S+ 0 0 115 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.670 128.9 56.0 -64.2 -18.5 2.9 10.5 3.1 12 101 A S T 3 S- 0 0 62 2,-0.2 -1,-0.3 219,-0.0 3,-0.1 0.299 118.3-113.3 -91.7 8.4 5.4 12.8 4.8 13 102 A N S < S+ 0 0 107 -3,-2.4 2,-0.2 1,-0.2 -2,-0.2 0.737 79.7 121.1 65.1 25.8 8.2 11.4 2.6 14 103 A M S S- 0 0 7 1,-0.0 -4,-2.9 213,-0.0 2,-0.3 -0.720 73.5 -87.1-114.6 164.7 9.8 9.8 5.6 15 104 A Y B -A 9 0A 68 -2,-0.2 -6,-0.2 -6,-0.2 227,-0.1 -0.558 46.2-125.5 -72.5 132.9 10.7 6.2 6.4 16 105 A G - 0 0 21 -8,-2.5 -8,-0.1 -2,-0.3 3,-0.1 -0.538 13.2-127.8 -78.9 141.4 7.9 4.4 8.1 17 106 A P - 0 0 39 0, 0.0 -9,-0.1 0, 0.0 -1,-0.1 -0.181 56.9 -61.5 -64.6 174.6 8.2 2.5 11.4 18 107 A P - 0 0 41 0, 0.0 3,-0.3 0, 0.0 220,-0.0 -0.312 50.5-115.5 -57.6 148.9 7.1 -1.1 11.4 19 108 A Q S S+ 0 0 182 1,-0.3 2,-0.6 -3,-0.1 0, 0.0 0.890 110.7 31.0 -53.8 -43.2 3.3 -1.5 10.6 20 109 A N S S- 0 0 127 2,-0.0 2,-0.5 0, 0.0 -1,-0.3 -0.912 81.9-177.1-122.0 102.2 2.7 -2.9 14.1 21 110 A M - 0 0 43 -2,-0.6 2,-0.2 -3,-0.3 246,-0.1 -0.867 11.1-149.1-108.4 129.6 5.2 -1.4 16.6 22 111 A S - 0 0 80 -2,-0.5 246,-2.8 244,-0.3 -2,-0.0 -0.589 18.2-114.2 -92.9 154.7 5.2 -2.4 20.2 23 112 A L - 0 0 101 -2,-0.2 246,-0.1 244,-0.2 -1,-0.1 -0.518 54.1 -81.3 -74.6 154.9 6.1 -0.3 23.3 24 113 A P - 0 0 1 0, 0.0 -1,-0.1 0, 0.0 245,-0.0 -0.334 59.8 -97.3 -59.4 143.0 9.3 -1.5 25.1 25 114 A P - 0 0 28 0, 0.0 15,-0.5 0, 0.0 4,-0.1 -0.313 20.3-147.7 -67.2 145.2 8.5 -4.5 27.3 26 115 A P S S+ 0 0 74 0, 0.0 3,-0.1 0, 0.0 16,-0.1 0.787 71.7 93.0 -79.1 -30.2 7.9 -3.9 31.1 27 116 A Q S S- 0 0 125 1,-0.1 13,-0.4 12,-0.1 2,-0.0 -0.294 91.6 -94.5 -67.5 146.2 9.3 -7.2 32.1 28 117 A T - 0 0 73 11,-0.1 2,-0.3 1,-0.1 11,-0.2 -0.357 44.7-144.8 -52.9 132.8 13.0 -7.7 33.1 29 118 A Q B -B 38 0B 55 9,-3.4 9,-1.9 -4,-0.1 2,-0.3 -0.719 10.9-154.2-103.1 155.3 14.9 -8.8 30.0 30 119 A T - 0 0 109 -2,-0.3 2,-0.5 7,-0.2 5,-0.1 -0.909 13.4-128.3-127.7 160.4 17.9 -11.2 30.0 31 120 A I > - 0 0 36 -2,-0.3 3,-1.3 3,-0.2 5,-0.3 -0.916 37.0-110.1-106.2 131.9 20.9 -11.8 27.8 32 121 A Q T 3 S+ 0 0 195 -2,-0.5 3,-0.1 1,-0.2 -1,-0.0 -0.307 97.0 17.8 -65.1 139.4 21.4 -15.4 26.6 33 122 A G T 3 S+ 0 0 83 1,-0.2 2,-0.3 -2,-0.0 -1,-0.2 0.607 119.2 60.6 79.1 12.2 24.3 -17.3 28.1 34 123 A T S < S- 0 0 67 -3,-1.3 2,-0.5 2,-0.0 -3,-0.2 -0.964 80.8-114.0-156.3 175.1 24.8 -15.0 31.0 35 124 A D + 0 0 141 -2,-0.3 -3,-0.1 -5,-0.1 -5,-0.0 -0.600 65.9 122.7-115.0 67.7 23.2 -13.5 34.1 36 125 A Q - 0 0 63 -2,-0.5 -5,-0.2 -5,-0.3 167,-0.1 -0.734 40.1-169.4-131.6 83.9 22.9 -9.9 33.2 37 126 A P + 0 0 42 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.251 6.8 177.7 -70.1 159.9 19.3 -8.6 33.4 38 127 A Y B -B 29 0B 19 -9,-1.9 -9,-3.4 128,-0.1 2,-0.4 -0.948 13.2-150.1-151.2 167.6 18.2 -5.2 32.1 39 128 A Q - 0 0 29 165,-1.5 128,-0.6 -2,-0.3 2,-0.3 -0.981 14.7-129.2-147.3 128.5 14.9 -3.4 31.9 40 129 A Y - 0 0 3 -15,-0.5 2,-0.2 -13,-0.4 129,-0.1 -0.571 33.2-118.2 -69.9 139.5 13.6 -0.9 29.4 41 130 A S - 0 0 0 -2,-0.3 127,-0.1 1,-0.1 126,-0.1 -0.538 8.2-150.4 -75.8 145.0 12.1 2.2 31.1 42 131 A Q - 0 0 47 125,-0.3 -1,-0.1 -2,-0.2 229,-0.1 0.542 31.3-135.5 -88.2 -7.1 8.4 2.9 30.6 43 132 A C + 0 0 7 79,-0.3 79,-0.1 1,-0.1 80,-0.1 0.827 69.4 123.3 57.6 36.5 9.2 6.6 30.9 44 133 A T + 0 0 111 77,-0.5 78,-0.2 78,-0.1 -1,-0.1 0.459 58.8 68.9-101.0 -6.1 6.2 7.1 33.2 45 134 A G S S- 0 0 34 76,-3.0 2,-0.2 1,-0.2 77,-0.2 0.257 99.6 -26.3 -92.7-147.0 8.2 8.5 36.1 46 135 A R - 0 0 117 73,-0.1 77,-2.9 1,-0.0 2,-0.5 -0.478 54.0-150.8 -70.5 136.3 10.2 11.6 36.8 47 136 A R E +c 123 0C 75 35,-0.2 37,-0.4 75,-0.2 2,-0.3 -0.948 23.1 166.3-112.5 119.3 11.7 13.5 33.8 48 137 A K E -c 124 0C 10 75,-1.7 77,-2.2 -2,-0.5 2,-0.4 -0.977 13.1-163.1-130.6 148.8 14.9 15.5 34.3 49 138 A A E -cd 125 88C 0 38,-2.3 40,-2.5 -2,-0.3 2,-0.5 -0.984 14.9-163.2-135.1 145.5 17.3 17.0 31.8 50 139 A L E -cd 126 89C 0 75,-2.5 77,-2.5 -2,-0.4 2,-0.4 -0.995 18.9-176.2-120.3 120.2 20.9 18.3 31.8 51 140 A I E -cd 127 90C 0 38,-2.8 40,-2.8 -2,-0.5 2,-0.4 -0.978 1.3-174.2-123.2 127.0 21.6 20.4 28.7 52 141 A I E +cd 128 91C 1 75,-2.2 77,-2.4 -2,-0.4 2,-0.4 -0.981 8.0 173.1-131.0 122.5 25.0 21.8 28.0 53 142 A G E -cd 129 92C 0 38,-2.6 40,-0.8 -2,-0.4 2,-0.5 -0.990 6.6-175.7-130.3 125.5 26.0 24.2 25.3 54 143 A I + 0 0 0 75,-2.4 12,-0.1 -2,-0.4 11,-0.1 -0.970 18.4 170.4-128.5 120.0 29.5 25.8 25.1 55 144 A N - 0 0 18 -2,-0.5 8,-2.9 11,-0.1 3,-0.1 0.564 39.8-135.2 -98.1 -12.8 30.6 28.4 22.5 56 145 A Y > - 0 0 5 6,-0.2 3,-2.1 1,-0.2 5,-0.2 0.936 29.7-152.2 56.5 49.0 34.0 29.2 24.2 57 146 A I T 3 S+ 0 0 85 1,-0.3 -1,-0.2 36,-0.2 3,-0.1 -0.278 71.5 14.2 -60.3 127.0 33.2 32.9 23.7 58 147 A G T 3 S+ 0 0 72 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.219 102.1 114.5 96.2 -14.4 36.4 34.9 23.3 59 148 A S S X S- 0 0 54 -3,-2.1 3,-0.9 -4,-0.1 -1,-0.3 -0.239 82.4-102.2 -86.9 175.3 38.7 32.0 22.9 60 149 A K T 3 S+ 0 0 207 1,-0.3 -1,-0.1 -3,-0.1 -3,-0.1 0.640 120.9 39.1 -71.8 -17.6 40.8 30.9 19.9 61 150 A N T 3 S+ 0 0 105 -5,-0.2 -1,-0.3 2,-0.0 2,-0.1 -0.417 78.7 167.8-129.8 57.8 38.3 28.3 18.9 62 151 A Q < - 0 0 83 -3,-0.9 2,-0.3 1,-0.0 -6,-0.2 -0.466 25.2-142.4 -63.0 138.2 35.0 29.9 19.6 63 152 A L - 0 0 38 -8,-2.9 4,-0.1 -2,-0.1 -1,-0.0 -0.734 2.6-145.5-104.2 160.9 32.1 28.0 18.2 64 153 A R S S+ 0 0 184 -2,-0.3 4,-0.2 1,-0.1 -1,-0.1 0.818 81.8 22.8 -96.3 -35.0 29.0 29.5 16.6 65 154 A G S > S+ 0 0 6 2,-0.1 4,-2.3 -11,-0.1 153,-0.4 0.325 83.6 98.6-124.9 9.2 25.9 27.4 17.3 66 155 A C H > S+ 0 0 11 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.889 88.8 48.4 -72.2 -39.9 26.3 25.2 20.4 67 156 A I H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.922 112.3 51.0 -62.7 -40.5 24.5 27.5 22.8 68 157 A N H > S+ 0 0 83 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.899 106.4 54.7 -63.1 -37.6 21.7 27.7 20.2 69 158 A D H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.926 108.3 50.1 -59.5 -45.7 21.7 23.9 20.1 70 159 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.928 110.2 48.3 -59.7 -45.8 21.2 23.8 23.8 71 160 A H H X S+ 0 0 85 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.887 109.6 54.2 -62.4 -35.7 18.3 26.3 23.6 72 161 A N H X S+ 0 0 54 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.936 110.3 45.6 -62.9 -46.2 16.7 24.2 20.8 73 162 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.915 111.2 52.8 -65.6 -40.1 16.8 21.1 22.9 74 163 A F H X S+ 0 0 52 -4,-2.5 4,-2.7 -5,-0.2 5,-0.3 0.955 112.5 45.1 -56.9 -50.3 15.4 23.0 26.0 75 164 A N H X S+ 0 0 90 -4,-2.6 4,-2.1 1,-0.2 5,-0.3 0.940 113.9 49.9 -59.0 -47.5 12.5 24.3 23.8 76 165 A F H X S+ 0 0 19 -4,-2.7 4,-1.8 1,-0.2 5,-0.5 0.924 115.7 41.5 -56.9 -48.4 11.9 20.8 22.3 77 166 A L H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 6,-1.5 0.903 116.8 45.3 -72.4 -43.4 11.9 19.0 25.6 78 167 A T H < S+ 0 0 35 -4,-2.7 4,-0.3 -5,-0.3 -1,-0.2 0.817 121.2 38.2 -71.8 -31.2 9.9 21.5 27.7 79 168 A N H < S+ 0 0 125 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.725 130.4 24.4 -96.2 -18.0 7.2 22.0 25.1 80 169 A G H < S+ 0 0 54 -4,-1.8 -3,-0.2 -5,-0.3 -2,-0.2 0.768 122.6 36.9-108.6 -31.8 6.9 18.5 23.7 81 170 A Y S < S- 0 0 41 -4,-1.7 -3,-0.1 -5,-0.5 3,-0.1 0.125 99.7-102.3-129.2 19.0 8.0 15.9 26.2 82 171 A G + 0 0 52 -4,-0.3 2,-0.9 1,-0.2 -35,-0.2 0.695 63.9 148.6 71.3 21.9 7.0 16.9 29.8 83 172 A Y - 0 0 3 -6,-1.5 -1,-0.2 -9,-0.1 2,-0.2 -0.816 39.2-145.2 -86.7 109.9 10.3 18.1 31.0 84 173 A S > - 0 0 57 -2,-0.9 3,-1.9 -37,-0.4 -35,-0.2 -0.490 16.1-122.9 -75.1 147.4 9.5 20.9 33.5 85 174 A S G > S+ 0 0 72 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.774 113.8 58.9 -62.5 -28.8 11.8 23.9 33.7 86 175 A D G 3 S+ 0 0 149 1,-0.2 -1,-0.3 3,-0.1 -2,-0.0 0.632 106.2 51.3 -70.7 -14.9 12.4 23.2 37.4 87 176 A D G < S+ 0 0 44 -3,-1.9 -38,-2.3 -40,-0.0 2,-0.4 0.098 98.3 81.3-111.3 18.6 13.6 19.8 36.4 88 177 A I E < -d 49 0C 15 -3,-1.2 2,-0.5 -40,-0.2 -38,-0.2 -0.993 55.8-163.5-127.0 132.5 16.1 21.0 33.8 89 178 A V E -d 50 0C 40 -40,-2.5 -38,-2.8 -2,-0.4 2,-0.5 -0.977 12.8-171.7-107.5 121.1 19.6 22.3 34.4 90 179 A I E -d 51 0C 31 -2,-0.5 2,-0.6 -40,-0.2 -38,-0.2 -0.975 2.6-166.8-114.9 124.0 20.9 24.2 31.3 91 180 A L E +d 52 0C 3 -40,-2.8 -38,-2.6 -2,-0.5 2,-0.3 -0.946 19.0 155.3-111.9 118.5 24.6 25.2 31.3 92 181 A T E > -d 53 0C 6 8,-1.4 3,-0.6 -2,-0.6 -38,-0.2 -0.979 41.4-133.2-140.9 155.1 25.7 27.7 28.8 93 182 A D T 3 S+ 0 0 26 -40,-0.8 -36,-0.2 -2,-0.3 8,-0.1 0.102 93.1 64.0-101.6 24.8 28.6 30.2 28.6 94 183 A D T 3 S+ 0 0 84 -38,-0.0 -1,-0.2 -27,-0.0 2,-0.2 0.251 84.6 87.2-120.9 9.5 26.9 33.4 27.4 95 184 A Q S < S- 0 0 50 -3,-0.6 5,-0.0 2,-0.1 -4,-0.0 -0.589 77.9-116.0-113.3 176.3 24.5 34.0 30.3 96 185 A N S S+ 0 0 172 -2,-0.2 2,-0.6 4,-0.0 -3,-0.0 0.341 80.5 89.9-102.8 6.9 24.9 35.9 33.6 97 186 A D > - 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