==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 29-OCT-01 1K9C . COMPND 2 MOLECULE: CALRETICULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR L.ELLGAARD,P.BETTENDORFF,D.BRAUN,T.HERRMANN,F.FIORITO, . 74 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7775.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 20 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 5.4 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 1.4 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 . 6 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 4.1 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+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 0 0 0 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 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 188 A S 0 0 183 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.2 -25.1 43.4 14.0 2 189 A K - 0 0 196 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.825 360.0-131.3-141.3-177.7 -23.7 40.2 12.4 3 190 A K - 0 0 177 -2,-0.2 2,-0.5 2,-0.0 0, 0.0 -0.956 0.3-153.6-133.2 160.1 -21.0 37.6 13.3 4 191 A I + 0 0 157 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.890 50.7 126.6-127.2 79.8 -18.2 36.3 11.1 5 192 A K + 0 0 175 -2,-0.5 -2,-0.0 0, 0.0 0, 0.0 -0.765 30.7 122.5-143.4 94.3 -17.6 32.9 12.7 6 193 A D - 0 0 114 -2,-0.3 3,-0.1 4,-0.0 -2,-0.0 -0.962 57.1-136.0-159.0 148.7 -17.8 30.2 10.0 7 194 A P - 0 0 69 0, 0.0 2,-2.0 0, 0.0 -1,-0.0 0.441 26.1-152.1 -92.2 -3.3 -15.4 27.5 8.7 8 195 A D S S+ 0 0 151 1,-0.2 3,-0.1 3,-0.1 2,-0.0 -0.505 88.8 22.7 54.8 -73.4 -16.0 28.1 5.0 9 196 A A S S- 0 0 76 -2,-2.0 -1,-0.2 1,-0.5 2,-0.1 -0.202 126.9 -80.1-115.8 35.9 -15.2 24.5 4.0 10 197 A A - 0 0 49 1,-0.1 -1,-0.5 2,-0.0 -4,-0.0 -0.139 55.8 -86.5 67.8 177.0 -15.9 22.6 7.3 11 198 A K > - 0 0 66 -3,-0.1 2,-2.7 -2,-0.1 3,-1.0 -0.806 27.5-165.7-126.7 86.2 -13.3 22.5 10.1 12 199 A P T 3 S+ 0 0 120 0, 0.0 -2,-0.0 0, 0.0 -3,-0.0 -0.412 87.1 53.1 -69.0 65.4 -10.5 19.8 9.9 13 200 A E T 3 S+ 0 0 158 -2,-2.7 -2,-0.0 0, 0.0 2,-0.0 0.166 119.7 14.3-155.6 -44.6 -9.6 20.5 13.6 14 201 A D S < S+ 0 0 117 -3,-1.0 -3,-0.0 1,-0.0 0, 0.0 -0.489 101.8 76.0-154.1 60.2 -12.8 20.3 15.7 15 202 A W > - 0 0 98 -4,-0.1 4,-0.7 -5,-0.0 -1,-0.0 0.504 55.6-168.7-123.6 -51.6 -15.7 18.7 14.0 16 203 A D T >4 S- 0 0 120 -5,-0.3 3,-2.2 1,-0.2 4,-0.4 0.990 92.5 -32.8 43.2 74.0 -14.9 15.0 14.0 17 204 A E T 34 S- 0 0 118 1,-0.3 -1,-0.2 2,-0.2 -3,-0.0 0.636 104.2 -80.1 60.9 19.5 -17.7 14.2 11.6 18 205 A R T 34 S- 0 0 185 -7,-0.1 -1,-0.3 2,-0.1 -2,-0.2 0.758 94.2 -53.5 54.9 32.5 -19.4 17.2 13.3 19 206 A A S << S- 0 0 70 -3,-2.2 2,-0.4 -4,-0.7 -2,-0.2 0.873 71.7-165.2 65.5 111.5 -20.2 14.5 16.0 20 207 A K + 0 0 127 -4,-0.4 2,-0.1 2,-0.0 -1,-0.1 -0.945 20.1 150.5-119.8 139.6 -22.0 11.4 14.7 21 208 A I + 0 0 140 -2,-0.4 2,-0.1 0, 0.0 -2,-0.0 -0.178 31.1 94.6-132.3-125.5 -23.7 8.8 16.8 22 209 A D S S+ 0 0 145 -2,-0.1 4,-0.1 4,-0.0 -2,-0.0 -0.450 92.3 27.1 54.4-142.9 -26.7 6.5 15.9 23 210 A D - 0 0 59 1,-0.1 4,-0.1 -2,-0.1 -3,-0.0 -0.180 69.2-158.4 -49.8 125.4 -25.4 3.1 14.6 24 211 A P S S- 0 0 106 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.991 86.1 -15.7 -72.8 -64.7 -21.9 2.3 16.2 25 212 A T S > S+ 0 0 90 4,-0.1 3,-0.9 1,-0.0 -2,-0.1 0.402 116.0 98.3-110.2 -10.2 -20.6 -0.2 13.6 26 213 A D T 3 S+ 0 0 122 1,-0.3 -3,-0.1 -4,-0.1 -1,-0.0 0.374 93.8 31.4 -75.4 4.5 -24.0 -0.9 12.0 27 214 A S T 3 S- 0 0 38 1,-0.5 -1,-0.3 -4,-0.1 44,-0.1 -0.493 138.2 -44.2-159.2 62.9 -23.3 1.5 9.1 28 215 A K < - 0 0 49 -3,-0.9 -1,-0.5 44,-0.1 2,-0.2 0.520 60.0-120.6 78.9 139.6 -19.5 1.2 8.7 29 216 A P >> - 0 0 39 0, 0.0 3,-0.7 0, 0.0 4,-0.7 -0.585 34.3 -98.2 -94.7 173.0 -16.7 1.1 11.4 30 217 A E T 34 S+ 0 0 175 1,-0.2 -5,-0.0 -2,-0.2 -2,-0.0 0.498 122.6 49.9 -66.6 -5.6 -13.8 3.5 11.8 31 218 A D T 34 S+ 0 0 126 1,-0.1 -1,-0.2 3,-0.0 -3,-0.0 0.591 91.5 71.4-118.3 -20.7 -11.5 0.9 9.9 32 219 A W T <4 S+ 0 0 59 -3,-0.7 2,-1.4 1,-0.1 36,-0.3 0.847 78.3 86.6 -58.1 -39.8 -13.6 0.1 6.8 33 220 A D S < S- 0 0 77 -4,-0.7 -1,-0.1 35,-0.1 3,-0.1 -0.543 78.2-155.9 -78.2 87.4 -12.9 3.5 5.4 34 221 A K - 0 0 65 -2,-1.4 2,-0.1 1,-0.1 35,-0.1 -0.226 22.2 -90.2 -66.7 157.8 -9.6 2.7 3.7 35 222 A P - 0 0 68 0, 0.0 32,-0.2 0, 0.0 -1,-0.1 -0.421 20.8-144.2 -59.7 138.8 -6.8 5.1 2.9 36 223 A E S S+ 0 0 106 1,-0.2 28,-2.9 -2,-0.1 2,-0.6 0.936 98.6 47.6 -59.0 -53.2 -7.1 6.7 -0.5 37 224 A H E S+A 63 0A 119 26,-0.2 26,-0.2 24,-0.1 -1,-0.2 -0.863 77.7 176.9 -95.7 116.0 -3.2 6.5 -0.5 38 225 A I E -A 62 0A 26 24,-2.4 24,-3.1 -2,-0.6 2,-0.2 -0.854 37.5 -97.7-114.4 151.9 -1.9 3.1 0.5 39 226 A P E -A 61 0A 82 0, 0.0 22,-0.3 0, 0.0 -1,-0.0 -0.498 58.8 -82.8 -70.8 141.2 1.8 1.9 0.6 40 227 A D - 0 0 35 20,-2.7 21,-0.0 1,-0.2 24,-0.0 -0.190 41.6-170.5 -50.9 110.5 2.8 -0.1 -2.5 41 228 A P S S+ 0 0 93 0, 0.0 -1,-0.2 0, 0.0 3,-0.0 0.446 83.9 58.2 -86.2 -5.2 1.6 -3.7 -2.0 42 229 A D S S+ 0 0 147 0, 0.0 -2,-0.1 0, 0.0 2,-0.1 0.878 100.3 64.8 -80.7 -49.4 3.5 -4.9 -5.1 43 230 A A + 0 0 23 17,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.344 55.1 170.6 -71.3 155.7 6.8 -3.7 -3.7 44 231 A K - 0 0 160 14,-0.1 -1,-0.1 -2,-0.1 0, 0.0 0.088 65.2 -68.2-158.6 34.6 8.1 -5.3 -0.5 45 232 A K - 0 0 85 13,-0.0 4,-0.0 3,-0.0 0, 0.0 0.752 65.1 -99.6 63.0 119.0 11.7 -4.0 -0.1 46 233 A P > - 0 0 42 0, 0.0 3,-1.6 0, 0.0 11,-0.1 -0.257 13.4-129.5 -59.7 148.9 14.1 -5.4 -2.8 47 234 A E T 3 S+ 0 0 184 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.813 116.5 59.7 -58.3 -28.8 16.3 -8.4 -2.0 48 235 A D T 3 S+ 0 0 135 2,-0.0 -1,-0.3 0, 0.0 2,-0.3 0.258 81.8 120.1 -80.1 -1.2 18.9 -5.9 -3.5 49 236 A W < - 0 0 72 -3,-1.6 2,-0.4 4,-0.0 7,-0.0 -0.579 41.6-171.2 -75.1 144.1 18.1 -3.2 -0.8 50 237 A D >>> - 0 0 77 -2,-0.3 4,-2.2 5,-0.1 3,-0.6 -0.982 17.2-166.1-136.9 115.7 20.9 -2.1 1.5 51 238 A E T 345S+ 0 0 97 -2,-0.4 5,-0.1 1,-0.2 -1,-0.1 0.591 95.8 55.6 -75.8 -10.6 20.2 0.1 4.5 52 239 A E T 345S+ 0 0 190 3,-0.1 -1,-0.2 2,-0.1 4,-0.1 0.526 110.4 46.4 -98.3 -7.6 24.0 0.8 4.8 53 240 A M T <45S- 0 0 144 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.1 0.871 140.6 -6.0 -90.5 -52.0 23.9 2.1 1.1 54 241 A D T <5S- 0 0 116 -4,-2.2 -3,-0.2 1,-0.4 2,-0.2 0.592 99.7-109.0-125.4 -17.4 20.8 4.3 1.2 55 242 A G < - 0 0 27 -5,-0.6 -1,-0.4 2,-0.0 -2,-0.2 -0.591 67.4 -14.6 103.4-178.0 19.1 3.9 4.6 56 243 A E S S- 0 0 156 -2,-0.2 2,-0.3 -5,-0.1 -6,-0.0 -0.280 72.4-117.1 -56.5 141.3 15.8 2.2 5.5 57 244 A W - 0 0 45 -11,-0.1 -1,-0.1 -8,-0.0 -6,-0.0 -0.608 29.1-176.0 -75.9 138.8 13.4 1.4 2.7 58 245 A E - 0 0 158 -2,-0.3 -14,-0.1 3,-0.0 3,-0.1 -0.990 22.6-129.3-118.5 145.9 10.0 2.9 2.4 59 246 A P - 0 0 34 0, 0.0 2,-0.2 0, 0.0 -15,-0.0 -0.421 32.9-102.1 -67.6 160.3 7.5 1.9 -0.3 60 247 A P - 0 0 70 0, 0.0 -20,-2.7 0, 0.0 2,-0.5 -0.571 32.8-118.6 -68.3 148.7 5.8 4.7 -2.3 61 248 A V E +A 39 0A 95 -22,-0.3 2,-0.2 -2,-0.2 -24,-0.1 -0.836 42.6 178.7 -81.3 131.2 2.3 5.6 -1.3 62 249 A I E -A 38 0A 69 -24,-3.1 -24,-2.4 -2,-0.5 2,-0.2 -0.761 37.1 -77.4-122.2 170.6 0.1 4.9 -4.4 63 250 A Q E -A 37 0A 116 -2,-0.2 -26,-0.2 -26,-0.2 -27,-0.1 -0.519 47.4-112.2 -70.9 139.0 -3.7 5.1 -4.9 64 251 A N - 0 0 9 -28,-2.9 -1,-0.1 -2,-0.2 -24,-0.0 -0.623 24.6-162.0 -65.1 114.9 -5.7 2.3 -3.4 65 252 A P S S+ 0 0 114 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.759 89.3 39.1 -70.7 -24.3 -7.2 0.4 -6.5 66 253 A E S S+ 0 0 139 -3,-0.0 -2,-0.0 3,-0.0 -32,-0.0 0.714 74.0 169.2-107.1 -30.9 -9.8 -1.2 -4.4 67 254 A Y - 0 0 79 -32,-0.2 3,-0.2 -31,-0.1 -34,-0.1 0.573 33.5-140.1 22.1 92.3 -10.9 1.6 -1.9 68 255 A K + 0 0 95 -36,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.876 41.4 163.3 -50.1 -44.6 -14.1 0.0 -0.3 69 256 A G + 0 0 10 -37,-0.2 2,-0.4 -35,-0.1 -1,-0.2 -0.515 47.3 48.5 64.2-123.8 -15.8 3.4 -0.4 70 257 A E S S- 0 0 141 -2,-0.3 2,-0.2 -3,-0.2 -42,-0.1 -0.294 75.7-146.3 -66.5 109.2 -19.5 3.2 0.1 71 258 A W + 0 0 77 -2,-0.4 -1,-0.1 -44,-0.1 -2,-0.0 -0.508 27.5 168.0 -64.5 141.6 -20.3 1.0 3.1 72 259 A K - 0 0 124 -2,-0.2 2,-1.4 2,-0.0 -44,-0.1 -0.960 48.3 -90.6-150.4 156.9 -23.5 -1.0 2.6 73 260 A P 0 0 109 0, 0.0 -47,-0.0 0, 0.0 -2,-0.0 -0.568 360.0 360.0 -75.9 88.8 -25.2 -3.9 4.4 74 261 A R 0 0 291 -2,-1.4 -2,-0.0 0, 0.0 -3,-0.0 -0.730 360.0 360.0-160.1 360.0 -23.6 -6.9 2.5