==== 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 26-OCT-01 1K91 . COMPND 2 MOLECULE: CALRETICULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR L.ELLGAARD,P.BETTENDORFF,D.BRAUN,T.HERRMANN,F.FIORITO, . 37 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3763.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 11 29.7 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 . 4 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 . 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 . 1 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 5.4 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 . 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 1 220 A G 0 0 104 0, 0.0 34,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -69.2 -18.2 -4.9 7.6 2 221 A K - 0 0 109 30,-0.0 35,-0.7 4,-0.0 34,-0.4 -0.958 360.0-105.7-141.4 159.2 -15.1 -4.2 5.5 3 222 A P - 0 0 75 0, 0.0 34,-0.2 0, 0.0 33,-0.1 -0.065 40.1 -95.2 -72.0 177.8 -14.0 -1.2 3.3 4 223 A E S S+ 0 0 110 31,-0.1 28,-1.0 1,-0.1 2,-0.3 0.878 109.6 22.0 -62.1 -39.8 -13.9 -1.0 -0.6 5 224 A H E S-A 31 0A 120 26,-0.2 26,-0.2 28,-0.0 -1,-0.1 -0.901 72.5-141.7-132.1 157.9 -10.2 -2.0 -0.6 6 225 A I E -A 30 0A 42 24,-2.0 24,-2.9 -2,-0.3 2,-0.1 -0.828 26.9-110.9-120.4 148.5 -7.9 -3.8 1.9 7 226 A P E -A 29 0A 84 0, 0.0 22,-0.3 0, 0.0 -1,-0.1 -0.332 24.0-113.8 -82.5 170.8 -4.2 -2.9 2.6 8 227 A D + 0 0 36 20,-2.0 21,-0.0 1,-0.1 0, 0.0 -0.899 33.0 168.5-106.3 109.5 -1.1 -4.8 1.7 9 228 A P S S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 20,-0.0 0.598 77.8 63.5 -84.7 -18.3 1.0 -6.2 4.7 10 229 A D S S+ 0 0 146 2,-0.1 2,-0.1 0, 0.0 -2,-0.0 0.731 86.8 82.9 -85.8 -25.2 3.1 -8.4 2.4 11 230 A A - 0 0 23 17,-0.1 2,-0.3 3,-0.0 0, 0.0 -0.407 67.5-163.4 -63.8 156.2 4.6 -5.4 0.5 12 231 A K - 0 0 165 -2,-0.1 3,-0.1 14,-0.1 14,-0.1 -0.951 35.1 -71.4-137.8 159.1 7.6 -3.7 2.2 13 232 A K S S- 0 0 100 -2,-0.3 4,-0.0 1,-0.1 12,-0.0 -0.276 74.3 -93.8 -34.4 121.9 9.6 -0.5 2.1 14 233 A P > - 0 0 59 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.203 20.3-127.2 -56.3 145.3 11.5 -0.9 -1.2 15 234 A E T 3 S+ 0 0 198 1,-0.3 -2,-0.1 -3,-0.1 0, 0.0 0.638 117.0 40.2 -62.0 -14.6 15.0 -2.4 -1.1 16 235 A D T 3 S+ 0 0 144 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 -0.009 89.2 139.4-122.7 15.4 16.0 0.8 -3.0 17 236 A W < - 0 0 74 -3,-2.0 2,-0.5 1,-0.1 3,-0.1 -0.252 48.0-140.0 -59.5 158.6 13.8 3.3 -1.1 18 237 A D >>> + 0 0 95 1,-0.1 4,-2.8 5,-0.1 3,-1.2 -0.795 22.7 174.6-125.7 84.0 15.1 6.8 -0.2 19 238 A E H 3>5S+ 0 0 113 -2,-0.5 4,-1.3 1,-0.3 -1,-0.1 0.831 82.6 55.5 -59.7 -32.2 13.8 7.5 3.3 20 239 A E H 345S+ 0 0 168 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.678 115.6 38.5 -78.5 -14.7 15.8 10.8 3.3 21 240 A M H <45S+ 0 0 128 -3,-1.2 -2,-0.2 2,-0.1 -1,-0.2 0.844 134.4 16.2 -94.2 -49.5 14.1 11.9 0.1 22 241 A D H <5S- 0 0 115 -4,-2.8 2,-0.4 1,-0.3 -3,-0.2 0.639 83.2-160.9-109.0 -14.3 10.5 10.7 0.5 23 242 A G << + 0 0 37 -4,-1.3 -1,-0.3 -5,-0.6 2,-0.2 -0.627 63.6 43.8 70.8-125.3 10.2 10.0 4.3 24 243 A E S S- 0 0 166 -2,-0.4 2,-0.3 1,-0.1 0, 0.0 -0.319 70.4-150.9 -58.9 119.0 7.2 7.7 5.1 25 244 A W - 0 0 62 -2,-0.2 -12,-0.1 -8,-0.0 -1,-0.1 -0.651 10.9-161.6 -76.3 154.4 6.8 4.8 2.8 26 245 A E - 0 0 136 -2,-0.3 -14,-0.1 -14,-0.1 0, 0.0 -0.994 15.4-124.1-135.3 135.8 3.1 3.6 2.4 27 246 A P - 0 0 39 0, 0.0 -14,-0.0 0, 0.0 -15,-0.0 -0.279 23.7-109.9 -69.2 163.7 2.2 0.1 1.1 28 247 A P - 0 0 67 0, 0.0 -20,-2.0 0, 0.0 2,-0.2 0.012 33.4-126.5 -68.4-170.8 -0.1 -0.7 -1.8 29 248 A V E -A 7 0A 92 -22,-0.3 2,-0.3 -20,-0.0 -21,-0.0 -0.708 8.6-127.9-128.7-179.5 -3.6 -2.2 -1.4 30 249 A I E -A 6 0A 71 -24,-2.9 -24,-2.0 -2,-0.2 2,-0.2 -0.952 33.4 -99.5-130.3 149.8 -5.5 -5.2 -2.7 31 250 A Q E -A 5 0A 149 -2,-0.3 -26,-0.2 -26,-0.2 -27,-0.0 -0.547 55.4-104.6 -61.3 132.1 -8.9 -5.4 -4.3 32 251 A N > - 0 0 5 -28,-1.0 3,-1.0 -2,-0.2 -1,-0.1 -0.554 22.4-149.7 -71.2 120.9 -11.1 -6.5 -1.3 33 252 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.741 95.7 21.1 -63.9 -21.3 -11.9 -10.3 -1.8 34 253 A E T 3 S+ 0 0 150 -30,-0.0 2,-0.7 -3,-0.0 3,-0.3 -0.479 73.2 169.9-146.5 67.1 -15.3 -9.6 0.1 35 254 A Y < + 0 0 136 -3,-1.0 -31,-0.1 1,-0.2 -29,-0.0 -0.721 17.5 145.7 -65.8 115.6 -16.2 -5.9 -0.0 36 255 A K 0 0 181 -2,-0.7 -1,-0.2 -34,-0.4 -32,-0.1 0.623 360.0 360.0-109.2 -40.2 -19.7 -5.9 1.3 37 256 A G 0 0 55 -35,-0.7 -2,-0.1 -3,-0.3 -33,-0.1 0.381 360.0 360.0 105.2 360.0 -19.8 -2.6 3.2