==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MOLECULAR CHAPERONE 22-DEC-00 1HHN . COMPND 2 MOLECULE: CALRETICULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR L.ELLGAARD,R.RIEK,T.HERRMANN,P.GUNTERT,D.BRAUN,A.HELENIUS, . 101 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8919.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 33 32.7 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 . 9 8.9 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 . 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 . 14 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 2.0 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+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 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 . 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 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 0 123 0, 0.0 2,-0.2 0, 0.0 91,-0.2 0.000 360.0 360.0 360.0 173.6 1.5 6.6 12.7 2 189 A K + 0 0 102 89,-0.1 89,-0.1 1,-0.1 88,-0.0 -0.517 360.0 22.3 -67.9 149.8 2.7 8.8 9.9 3 190 A K S S+ 0 0 145 -2,-0.2 2,-0.3 1,-0.1 88,-0.3 0.956 75.1 167.3 54.8 105.9 0.3 11.4 8.4 4 191 A I B -A 90 0A 68 86,-2.8 86,-2.7 84,-0.1 2,-0.1 -0.856 44.2 -78.4-136.0 165.5 -2.6 12.3 10.8 5 192 A K + 0 0 91 -2,-0.3 84,-0.1 84,-0.2 3,-0.0 -0.482 62.8 163.3 -59.8 138.0 -5.4 15.0 11.2 6 193 A D - 0 0 58 82,-0.3 5,-0.3 -2,-0.1 86,-0.0 -0.883 50.2-105.9-156.6 176.1 -3.8 18.2 12.6 7 194 A P S > S+ 0 0 105 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.828 111.2 62.6 -86.5 -31.4 -4.3 22.0 13.1 8 195 A D T 3 S+ 0 0 135 1,-0.3 81,-0.1 2,-0.1 -3,-0.0 0.888 89.0 75.1 -51.5 -38.0 -1.9 23.2 10.4 9 196 A A T 3 S- 0 0 2 1,-0.1 -1,-0.3 79,-0.1 -4,-0.0 0.398 105.9-126.0 -64.5 -3.1 -4.3 21.5 8.0 10 197 A A < + 0 0 69 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.917 40.4 176.7 62.4 52.9 -6.8 24.3 8.4 11 198 A K - 0 0 70 -5,-0.3 -1,-0.2 -4,-0.3 2,-0.0 -0.728 29.7-117.3 -82.0 143.1 -10.0 22.4 9.5 12 199 A P - 0 0 53 0, 0.0 2,-2.5 0, 0.0 3,-0.2 -0.268 48.5 -79.8 -60.8 162.8 -13.2 24.2 10.4 13 200 A E S S- 0 0 194 1,-0.2 -2,-0.0 2,-0.0 0, 0.0 -0.368 93.4 -50.9 -72.8 61.3 -14.5 23.8 13.9 14 201 A D - 0 0 115 -2,-2.5 2,-2.7 1,-0.2 -1,-0.2 0.864 66.5-177.4 95.3 36.0 -16.1 20.4 13.6 15 202 A W - 0 0 85 1,-0.2 68,-0.4 -3,-0.2 67,-0.2 -0.295 68.0 -75.1 -77.0 59.9 -18.3 20.8 10.5 16 203 A D S > S+ 0 0 76 -2,-2.7 2,-0.9 1,-0.2 66,-0.7 0.848 74.7 172.7 46.0 39.3 -19.9 17.3 10.6 17 204 A E T 3 + 0 0 20 1,-0.2 -1,-0.2 66,-0.1 -3,-0.0 -0.715 49.1 71.2 -71.7 103.6 -16.5 15.9 9.4 18 205 A R T 3 - 0 0 128 -2,-0.9 2,-1.8 -3,-0.2 -1,-0.2 -0.042 56.2-168.5-168.9 -53.0 -17.1 12.1 9.7 19 206 A A S < S+ 0 0 20 -3,-0.6 59,-2.7 58,-0.0 2,-0.5 -0.360 83.5 43.0 71.9 -50.7 -19.6 10.7 7.1 20 207 A K E S-B 77 0B 89 -2,-1.8 57,-0.3 57,-0.3 2,-0.1 -0.989 80.4-149.0-131.0 118.6 -19.6 7.5 9.0 21 208 A I E -B 76 0B 42 55,-1.9 55,-0.9 -2,-0.5 53,-0.1 -0.293 11.8-135.1 -79.9 172.1 -19.8 7.3 12.8 22 209 A D - 0 0 70 1,-0.2 54,-0.3 53,-0.2 -1,-0.2 0.206 65.3 -15.0-104.3-145.7 -18.2 4.6 14.9 23 210 A D - 0 0 14 1,-0.2 -1,-0.2 2,-0.1 52,-0.1 -0.585 59.7-171.3 -61.6 114.7 -19.7 2.7 17.9 24 211 A P S S- 0 0 89 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.994 81.6 -10.5 -72.0 -63.3 -22.7 4.7 19.0 25 212 A T S S+ 0 0 136 2,-0.0 -2,-0.1 0, 0.0 0, 0.0 0.274 127.9 72.4-120.0 1.9 -23.6 2.9 22.3 26 213 A D + 0 0 104 2,-0.0 -3,-0.0 0, 0.0 0, 0.0 0.831 57.8 147.3 -84.1 -95.4 -21.3 -0.1 22.0 27 214 A S - 0 0 76 2,-0.0 -2,-0.0 1,-0.0 0, 0.0 0.523 20.5-171.9 65.0 147.0 -17.6 0.7 22.5 28 215 A K - 0 0 106 1,-0.3 -5,-0.1 -5,-0.0 4,-0.0 -0.798 37.9 -73.2-147.9-179.4 -14.8 -1.5 24.1 29 216 A P - 0 0 91 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.156 50.4 -97.7 -63.3-165.5 -11.1 -0.7 25.1 30 217 A E S > S+ 0 0 142 1,-0.2 3,-3.1 2,-0.1 2,-1.1 0.708 92.4 112.2 -83.5 -17.3 -8.3 -0.2 22.5 31 218 A D T 3 + 0 0 132 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.236 62.5 68.0 -50.1 2.6 -7.3 -3.9 23.1 32 219 A W T 3 S+ 0 0 71 -2,-1.1 2,-2.4 -3,-0.2 -1,-0.3 0.755 77.3 93.4 -71.5 -39.0 -8.3 -5.0 19.6 33 220 A D < + 0 0 93 -3,-3.1 -1,-0.1 34,-0.1 -2,-0.1 -0.317 56.1 167.3 -67.3 60.4 -5.4 -2.9 18.3 34 221 A K - 0 0 59 -2,-2.4 34,-0.4 32,-0.3 36,-0.2 -0.535 45.6 -88.9 -79.1 151.2 -2.7 -5.6 18.1 35 222 A P - 0 0 72 0, 0.0 29,-0.3 0, 0.0 -1,-0.1 -0.299 22.3-145.2 -70.6 134.7 0.5 -4.7 16.2 36 223 A E S S+ 0 0 84 1,-0.2 28,-2.1 27,-0.1 2,-0.4 0.923 90.2 34.8 -57.7 -45.2 0.6 -5.4 12.4 37 224 A H E +C 63 0C 89 26,-0.2 26,-0.2 24,-0.0 -1,-0.2 -0.955 65.8 179.8-122.1 129.8 4.3 -6.3 12.6 38 225 A I E -C 62 0C 48 24,-2.3 24,-3.0 -2,-0.4 2,-0.0 -0.915 35.9-108.0-119.8 144.0 6.1 -8.1 15.5 39 226 A P E -C 61 0C 83 0, 0.0 22,-0.3 0, 0.0 3,-0.0 -0.376 46.3 -89.2 -69.0 157.2 9.8 -8.9 15.4 40 227 A D > - 0 0 59 20,-2.5 3,-1.6 1,-0.2 21,-0.0 -0.506 33.0-139.5 -64.5 130.2 10.8 -12.5 15.0 41 228 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.2 0, 0.0 20,-0.0 0.877 105.4 40.2 -61.1 -31.4 11.0 -14.0 18.6 42 229 A D T 3 S+ 0 0 134 2,-0.1 2,-1.9 -3,-0.0 -2,-0.1 -0.070 79.6 150.6-109.6 26.7 14.1 -15.9 17.6 43 230 A A < + 0 0 28 -3,-1.6 2,-0.2 17,-0.1 -1,-0.0 -0.451 19.2 174.5 -64.9 81.4 15.6 -13.1 15.5 44 231 A K - 0 0 166 -2,-1.9 -2,-0.1 15,-0.0 -4,-0.0 -0.602 19.5-140.6 -79.3 152.8 19.3 -13.8 15.9 45 232 A K - 0 0 64 -2,-0.2 2,-0.2 14,-0.1 4,-0.0 -0.778 24.8 -91.3-108.8 160.3 21.7 -11.7 13.8 46 233 A P > - 0 0 45 0, 0.0 3,-0.7 0, 0.0 -1,-0.0 -0.480 15.5-145.8 -65.3 140.9 24.9 -12.6 12.0 47 234 A E T 3 S+ 0 0 185 1,-0.2 -2,-0.0 -2,-0.2 0, 0.0 0.417 101.5 74.9 -73.6 -6.2 28.1 -12.4 14.0 48 235 A D T 3 S+ 0 0 152 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 0.065 81.9 99.8 -89.5 11.8 29.3 -11.4 10.5 49 236 A W < - 0 0 70 -3,-0.7 2,-0.5 -4,-0.0 8,-0.1 -0.915 56.9-161.7-105.7 143.2 27.6 -8.0 11.1 50 237 A D >> - 0 0 85 -2,-0.4 4,-2.5 1,-0.1 3,-0.9 -0.921 7.1-179.0-122.2 99.0 29.2 -4.6 12.2 51 238 A E H 3> S+ 0 0 77 -2,-0.5 4,-0.6 1,-0.2 -1,-0.1 0.595 82.7 68.5 -73.6 -12.2 26.4 -2.3 13.5 52 239 A E H 34 S+ 0 0 152 2,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.838 111.4 30.7 -67.8 -32.7 29.2 0.2 14.0 53 240 A M H <4 S+ 0 0 145 -3,-0.9 -2,-0.2 3,-0.1 -1,-0.1 0.784 127.5 38.6-108.1 -33.5 29.5 0.5 10.2 54 241 A D H < S- 0 0 98 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.1 0.928 106.8-124.9 -68.8 -47.0 25.9 -0.2 9.1 55 242 A G S < S+ 0 0 52 -4,-0.6 2,-0.2 -5,-0.3 -4,-0.2 -0.103 79.2 0.6 118.1 -31.0 24.7 1.8 12.1 56 243 A E S S- 0 0 122 1,-0.3 -1,-0.2 -6,-0.2 -2,-0.2 -0.837 80.4-102.5-163.2-178.2 22.5 -1.0 13.5 57 244 A W - 0 0 37 -2,-0.2 -1,-0.3 -3,-0.1 -7,-0.1 0.645 39.0-113.9 -80.6-103.0 21.6 -4.6 12.5 58 245 A E - 0 0 113 2,-0.0 -2,-0.0 0, 0.0 0, 0.0 -0.047 26.2-158.3 154.9 63.5 18.2 -5.2 10.8 59 246 A P - 0 0 77 0, 0.0 2,-0.1 0, 0.0 -14,-0.1 -0.514 21.4-126.4 -69.9 121.4 15.9 -7.2 13.0 60 247 A P - 0 0 64 0, 0.0 -20,-2.5 0, 0.0 2,-0.3 -0.351 18.5-150.1 -68.7 150.0 13.2 -8.9 10.8 61 248 A V E -C 39 0C 81 -22,-0.3 2,-0.3 -2,-0.1 -24,-0.0 -0.790 4.3-158.4-108.8 154.5 9.5 -8.6 11.5 62 249 A I E -C 38 0C 63 -24,-3.0 -24,-2.3 -2,-0.3 2,-0.3 -0.883 34.6 -96.1-117.4 159.2 6.7 -11.1 10.8 63 250 A Q E -C 37 0C 102 -2,-0.3 -26,-0.2 -26,-0.2 -27,-0.1 -0.593 44.5-116.1 -68.6 136.7 3.0 -10.3 10.5 64 251 A N > - 0 0 23 -28,-2.1 3,-1.6 -29,-0.3 -1,-0.1 -0.567 12.8-131.6 -70.9 138.7 1.2 -10.9 13.8 65 252 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.922 108.5 56.2 -55.9 -40.9 -1.4 -13.8 13.6 66 253 A E T 3 S+ 0 0 105 -31,-0.1 -32,-0.3 2,-0.0 2,-0.1 0.351 80.6 154.2 -75.0 6.1 -4.0 -11.4 15.4 67 254 A Y < + 0 0 96 -3,-1.6 2,-0.4 -31,-0.2 -31,-0.1 -0.140 15.0 172.9 -47.1 107.9 -3.5 -8.8 12.6 68 255 A K - 0 0 65 -34,-0.4 2,-1.3 -36,-0.2 3,-0.1 -0.968 39.4-121.9-103.7 136.0 -6.5 -6.5 12.2 69 256 A G S S- 0 0 52 -2,-0.4 3,-0.4 1,-0.1 -36,-0.0 -0.771 76.5 -48.3 -66.7 98.2 -6.2 -3.6 9.9 70 257 A E S S- 0 0 125 -2,-1.3 2,-1.8 -36,-0.2 -1,-0.1 0.643 72.8 -70.7 57.9 160.9 -7.0 -1.0 12.6 71 258 A W + 0 0 64 -3,-0.1 -1,-0.2 -38,-0.1 -38,-0.1 -0.449 65.4 153.7 -84.7 61.3 -9.7 -0.6 15.3 72 259 A K - 0 0 105 -2,-1.8 3,-0.1 -3,-0.4 -3,-0.0 -0.872 20.0-175.5 -90.1 106.3 -12.6 0.1 12.9 73 260 A P - 0 0 38 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 0.997 65.2 -40.0 -68.0 -70.2 -15.7 -1.1 14.9 74 261 A R - 0 0 135 -53,-0.1 2,-1.6 2,-0.1 -53,-0.0 -0.684 60.2-156.2-162.6 83.3 -18.7 -0.7 12.6 75 262 A Q - 0 0 97 -2,-0.2 2,-0.2 -3,-0.1 -53,-0.2 -0.606 22.7-175.6 -79.9 87.3 -18.3 2.5 10.7 76 263 A I E -B 21 0B 65 -2,-1.6 -55,-1.9 -55,-0.9 2,-0.1 -0.619 34.7 -97.4 -89.4 145.0 -22.0 3.2 9.8 77 264 A D E -B 20 0B 113 -57,-0.3 -57,-0.3 -2,-0.2 -1,-0.1 -0.425 51.6-119.0 -61.7 129.4 -23.2 6.1 7.6 78 265 A N - 0 0 30 -59,-2.7 2,-1.7 -2,-0.1 3,-0.2 0.070 27.7 -87.6 -69.0 173.4 -24.3 8.9 10.0 79 266 A P S S- 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -59,-0.1 -0.502 98.5 -47.2 -81.0 67.8 -27.7 10.6 10.5 80 267 A D S S- 0 0 147 -2,-1.7 2,-0.2 -61,-0.2 -61,-0.0 0.758 73.5-173.5 72.4 126.0 -26.9 13.1 7.7 81 268 A Y - 0 0 98 1,-0.2 -65,-0.1 -3,-0.2 -64,-0.1 -0.725 27.6-111.2-135.6-176.5 -23.6 15.1 7.3 82 269 A K - 0 0 130 -66,-0.7 -1,-0.2 -67,-0.2 -66,-0.1 0.953 54.1 -91.6 -87.4 -84.4 -21.8 17.8 5.4 83 270 A G - 0 0 26 -68,-0.4 2,-0.1 -67,-0.2 -66,-0.1 0.016 25.6-118.6 152.5 88.5 -18.9 16.6 3.2 84 271 A T - 0 0 48 -68,-0.2 -68,-0.0 1,-0.1 -67,-0.0 -0.266 26.8-151.9 -45.5 106.7 -15.2 16.3 4.3 85 272 A W - 0 0 114 -2,-0.1 -1,-0.1 1,-0.1 2,-0.0 0.930 51.5 -79.9 -51.4 -65.0 -13.6 18.8 1.8 86 273 A I - 0 0 129 2,-0.0 -1,-0.1 -3,-0.0 -2,-0.0 -0.026 48.9-154.4 159.6 87.7 -10.2 17.0 1.7 87 274 A H - 0 0 23 1,-0.0 2,-0.7 -2,-0.0 -77,-0.1 -0.627 17.8-127.3 -70.8 135.2 -8.2 17.9 4.7 88 275 A P - 0 0 70 0, 0.0 -82,-0.3 0, 0.0 2,-0.1 -0.775 25.6-143.4 -75.0 114.6 -4.5 17.6 4.0 89 276 A E - 0 0 101 -2,-0.7 2,-0.3 -84,-0.1 -84,-0.2 -0.454 18.2-135.8 -60.9 164.0 -3.2 15.4 6.9 90 277 A I B -A 4 0A 37 -86,-2.7 -86,-2.8 -2,-0.1 2,-1.2 -0.867 28.9 -82.3-127.2 159.9 0.3 16.4 8.2 91 278 A D - 0 0 91 -2,-0.3 -89,-0.1 -88,-0.3 4,-0.1 -0.420 59.2-117.3 -55.3 82.7 3.4 14.5 9.2 92 279 A N > - 0 0 27 -2,-1.2 3,-1.9 -91,-0.2 4,-0.5 0.012 22.1-157.3 -37.0 105.4 2.3 13.5 12.7 93 280 A P T 3 S+ 0 0 66 0, 0.0 3,-0.5 0, 0.0 8,-0.3 0.912 93.4 53.3 -54.9 -38.5 4.9 15.3 15.0 94 281 A E T 3 S+ 0 0 153 1,-0.2 -2,-0.1 7,-0.2 -92,-0.1 0.295 87.1 88.0 -81.6 5.4 4.0 12.7 17.8 95 282 A Y < - 0 0 86 -3,-1.9 -1,-0.2 -4,-0.1 -93,-0.1 0.993 64.9-174.5 -64.3 -62.4 4.8 9.8 15.5 96 283 A S - 0 0 28 -3,-0.5 4,-0.2 -4,-0.5 -2,-0.1 0.903 21.6-144.6 58.3 110.3 8.5 9.4 16.1 97 284 A P S S- 0 0 73 0, 0.0 3,-0.1 0, 0.0 -95,-0.0 0.954 82.0 -35.7 -64.4 -49.7 10.2 6.8 13.8 98 285 A D S S+ 0 0 152 1,-0.4 2,-0.3 2,-0.0 -2,-0.0 0.357 133.8 52.3-151.2 -9.3 12.7 5.6 16.4 99 286 A A S S- 0 0 70 0, 0.0 -1,-0.4 0, 0.0 -3,-0.1 -0.991 93.9 -97.9-141.4 129.3 13.6 8.8 18.4 100 287 A N 0 0 144 -2,-0.3 -6,-0.1 -4,-0.2 -4,-0.0 -0.128 360.0 360.0 -56.2 143.1 11.1 11.1 20.0 101 288 A I 0 0 127 -8,-0.3 -7,-0.2 -4,-0.0 -1,-0.1 0.423 360.0 360.0-117.6 360.0 10.1 14.3 18.2