==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 22-MAR-11 3R7B . COMPND 2 MOLECULE: CASPASE-2 SUBUNIT P18; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.TANG,J.WELLS,M.ARKIN . 509 7 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20161.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 333 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 9.2 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 . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 27 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 1 3 0 0 0 0 2 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 0 2 3 3 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 7 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 3 0 0 0 0 0 0 0 0 1 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 1 174 A M 0 0 113 0, 0.0 2,-0.4 0, 0.0 195,-0.0 0.000 360.0 360.0 360.0 140.2 -20.4 -18.9 38.7 2 175 A Q - 0 0 156 2,-0.0 2,-0.6 0, 0.0 55,-0.0 -0.999 360.0-149.3-138.8 136.9 -17.3 -18.9 41.0 3 176 A V - 0 0 21 -2,-0.4 197,-0.2 57,-0.1 196,-0.1 -0.937 22.3-131.7-107.8 115.2 -14.6 -16.3 41.4 4 177 A K - 0 0 126 195,-1.5 199,-0.1 -2,-0.6 2,-0.1 -0.456 28.1-123.8 -60.0 126.6 -11.3 -17.8 42.4 5 178 A P - 0 0 70 0, 0.0 246,-0.2 0, 0.0 2,-0.1 -0.372 21.7-110.9 -69.5 153.6 -9.9 -15.8 45.4 6 179 A C - 0 0 9 244,-3.1 198,-0.1 196,-0.1 197,-0.1 -0.447 35.4-110.9 -76.3 158.2 -6.5 -14.2 45.2 7 180 A T > - 0 0 72 196,-0.4 4,-2.0 -2,-0.1 3,-0.2 -0.635 18.4-120.0 -85.3 152.1 -3.7 -15.7 47.5 8 181 A P H > S+ 0 0 56 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.890 116.6 55.2 -56.8 -36.4 -2.4 -13.8 50.5 9 182 A E H > S+ 0 0 128 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.866 104.7 51.9 -63.9 -39.7 1.0 -14.0 48.8 10 183 A F H > S+ 0 0 29 2,-0.2 4,-0.9 -3,-0.2 -1,-0.2 0.922 110.3 49.2 -62.9 -46.0 -0.3 -12.3 45.6 11 184 A Y H >X S+ 0 0 36 -4,-2.0 4,-2.7 1,-0.2 3,-1.2 0.958 110.0 50.6 -56.9 -51.3 -1.8 -9.5 47.6 12 185 A Q H 3< S+ 0 0 113 -4,-2.5 4,-0.3 1,-0.3 -1,-0.2 0.829 114.2 44.4 -58.7 -31.4 1.5 -8.9 49.5 13 186 A T H 3< S+ 0 0 99 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.566 124.1 32.2 -93.7 -7.0 3.5 -8.8 46.3 14 187 A H H X< S+ 0 0 57 -3,-1.2 3,-0.8 -4,-0.9 -2,-0.2 0.619 91.7 82.9-121.5 -17.5 1.1 -6.5 44.4 15 188 A F G >< S+ 0 0 73 -4,-2.7 3,-1.2 1,-0.2 -3,-0.1 0.810 85.3 62.1 -66.2 -28.2 -0.7 -4.1 46.7 16 189 A Q G 3 S+ 0 0 141 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.856 110.0 38.8 -68.0 -31.7 2.1 -1.5 46.7 17 190 A L G < S+ 0 0 131 -3,-0.8 228,-1.2 -4,-0.1 2,-0.3 0.045 110.0 71.6-106.6 26.8 2.0 -0.8 43.0 18 191 A A B < S-a 245 0A 4 -3,-1.2 228,-0.2 226,-0.2 3,-0.1 -0.876 93.3 -80.9-132.8 164.0 -1.8 -1.0 42.6 19 192 A Y - 0 0 8 226,-2.4 228,-0.3 -2,-0.3 2,-0.2 -0.392 59.0 -96.0 -57.4 144.3 -4.8 1.1 43.5 20 193 A R + 0 0 207 1,-0.1 -1,-0.1 -4,-0.1 3,-0.1 -0.493 57.5 162.9 -62.0 125.7 -5.8 0.6 47.1 21 194 A L + 0 0 1 -2,-0.2 -1,-0.1 -3,-0.1 5,-0.1 -0.446 31.5 104.0-152.8 70.3 -8.6 -2.0 46.9 22 195 A Q + 0 0 40 3,-0.1 4,-0.1 4,-0.1 -1,-0.1 0.348 42.4 123.3-132.1 2.5 -9.4 -3.6 50.2 23 196 A S - 0 0 17 3,-0.2 69,-0.1 -3,-0.1 70,-0.1 -0.257 65.3-109.7 -64.9 153.2 -12.6 -2.0 51.4 24 197 A R S S+ 0 0 131 67,-0.2 2,-0.2 1,-0.1 39,-0.1 -0.962 114.4 32.8-126.2 112.2 -15.6 -4.3 52.1 25 198 A P S S- 0 0 35 0, 0.0 68,-0.4 0, 0.0 38,-0.2 0.593 92.6-143.3 -65.8 159.0 -17.6 -3.8 50.0 26 199 A R - 0 0 0 36,-2.5 67,-1.0 1,-0.2 68,-0.8 0.765 69.3 -52.6 -62.3 -26.6 -15.0 -3.1 47.3 27 200 A G E -b 94 0B 0 35,-0.5 37,-2.4 66,-0.2 2,-0.3 -0.944 63.6 -75.3 170.7 174.8 -17.4 -0.5 45.9 28 201 A L E -bc 95 64B 7 66,-0.6 68,-2.0 -2,-0.3 2,-0.4 -0.756 42.5-159.9 -89.0 147.9 -20.9 0.1 44.8 29 202 A A E -bc 96 65B 0 35,-2.4 37,-3.3 -2,-0.3 2,-0.5 -0.981 3.6-158.1-128.3 139.9 -21.8 -1.3 41.4 30 203 A L E -bc 97 66B 5 66,-2.2 68,-3.0 -2,-0.4 2,-0.5 -0.986 4.5-170.5-117.5 130.6 -24.7 -0.2 39.2 31 204 A V E -bc 98 67B 0 35,-2.6 37,-2.3 -2,-0.5 2,-0.5 -0.974 7.9-178.2-120.5 114.1 -26.1 -2.4 36.5 32 205 A L E -bc 99 68B 1 66,-2.7 68,-2.7 -2,-0.5 2,-0.4 -0.967 3.2-178.1-117.8 115.7 -28.6 -0.6 34.3 33 206 A S E -bc 100 69B 3 35,-2.3 37,-2.3 -2,-0.5 2,-0.5 -0.976 13.5-168.0-119.2 127.9 -30.3 -2.6 31.5 34 207 A N + 0 0 0 66,-2.9 3,-0.1 -2,-0.4 75,-0.1 -0.979 24.3 150.5-109.7 125.4 -32.8 -1.4 28.9 35 208 A V + 0 0 17 -2,-0.5 9,-2.4 1,-0.2 2,-0.5 0.662 55.0 62.1-126.7 -38.2 -34.4 -4.3 27.1 36 209 A H + 0 0 109 7,-0.2 -1,-0.2 8,-0.0 2,-0.1 -0.865 63.9 158.2-100.0 122.4 -37.9 -3.0 26.0 37 210 A F + 0 0 30 -2,-0.5 74,-0.1 4,-0.2 75,-0.1 -0.419 21.7 159.5-121.8-162.4 -38.1 -0.1 23.7 38 211 A T 0 0 81 -2,-0.1 74,-0.1 73,-0.1 -1,-0.1 -0.449 360.0 360.0-180.0 -85.7 -40.5 1.6 21.1 39 212 A G 0 0 90 72,-0.3 73,-0.0 -2,-0.1 72,-0.0 -0.566 360.0 360.0 98.0 360.0 -39.7 5.3 20.4 40 ! 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 41 216 A L 0 0 88 0, 0.0 -4,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 133.5 -35.5 0.0 18.3 42 217 A E - 0 0 71 1,-0.1 2,-0.1 -6,-0.1 -4,-0.1 -0.256 360.0 -90.1 -77.9 155.3 -35.9 -3.7 18.8 43 218 A F - 0 0 120 1,-0.1 2,-1.4 -7,-0.1 -7,-0.2 -0.384 40.5-126.6 -54.5 129.3 -36.5 -5.9 21.9 44 219 A R > - 0 0 21 -9,-2.4 3,-1.7 -2,-0.1 4,-0.4 -0.647 26.8-163.9 -88.6 85.4 -33.1 -6.9 23.3 45 220 A S T 3 S+ 0 0 41 -2,-1.4 140,-0.2 1,-0.3 142,-0.1 -0.519 79.2 27.4 -68.5 133.7 -33.5 -10.7 23.5 46 221 A G T 3> S+ 0 0 1 138,-0.3 4,-2.1 -2,-0.2 3,-0.3 0.169 88.0 110.0 94.0 -17.4 -30.7 -12.1 25.8 47 222 A G H <> S+ 0 0 1 -3,-1.7 4,-2.3 1,-0.2 -2,-0.1 0.830 74.1 58.5 -58.3 -34.4 -30.5 -8.8 27.7 48 223 A D H > S+ 0 0 111 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.913 106.4 47.3 -58.0 -44.1 -32.1 -10.6 30.6 49 224 A V H > S+ 0 0 46 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.911 111.2 51.0 -64.5 -46.0 -29.1 -13.1 30.6 50 225 A D H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.923 111.0 49.2 -54.9 -48.5 -26.6 -10.2 30.4 51 226 A H H X S+ 0 0 33 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.957 113.5 43.9 -60.3 -51.9 -28.1 -8.4 33.3 52 227 A S H X S+ 0 0 59 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.866 111.1 56.0 -62.5 -37.9 -28.2 -11.5 35.6 53 228 A T H X S+ 0 0 33 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.924 111.8 42.0 -60.9 -45.5 -24.7 -12.5 34.6 54 229 A L H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.882 111.5 53.5 -72.7 -38.6 -23.3 -9.1 35.6 55 230 A V H X S+ 0 0 24 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.944 114.2 44.1 -59.7 -44.4 -25.3 -8.8 38.8 56 231 A T H X S+ 0 0 62 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.934 114.2 49.6 -63.9 -47.4 -23.9 -12.2 39.8 57 232 A L H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.931 111.7 46.2 -58.0 -51.8 -20.4 -11.4 38.7 58 233 A F H <>S+ 0 0 2 -4,-3.0 5,-2.4 1,-0.2 -1,-0.2 0.878 110.8 53.3 -66.8 -35.3 -20.1 -8.1 40.6 59 234 A K H ><5S+ 0 0 128 -4,-2.0 3,-1.6 -5,-0.3 -1,-0.2 0.939 109.6 48.8 -60.5 -45.1 -21.6 -9.6 43.8 60 235 A L H 3<5S+ 0 0 79 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.766 105.4 58.1 -66.4 -24.6 -19.0 -12.3 43.7 61 236 A L T 3<5S- 0 0 2 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.369 126.6-101.3 -84.6 1.1 -16.2 -9.7 43.2 62 237 A G T < 5S+ 0 0 19 -3,-1.6 -36,-2.5 1,-0.3 -35,-0.5 0.694 75.2 137.9 92.6 21.0 -17.4 -8.1 46.4 63 238 A Y < - 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