==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 20-JUL-10 3O0X . COMPND 2 MOLECULE: CALRETICULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR G.KOZLOV,K.GEHRING . 499 4 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21869.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 65.5 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 . 178 35.7 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 . 4 0.8 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 . 2 0.4 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 . 38 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 11.4 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 . 4 4 6 6 2 3 2 3 2 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 0 0 0 0 0 2 0 2 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 18 A D 0 0 140 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.5 35.1 2.3 43.0 2 19 A P - 0 0 50 0, 0.0 2,-0.8 0, 0.0 217,-0.0 -0.470 360.0-124.1 -70.1 143.5 31.5 1.7 41.8 3 20 A A - 0 0 31 -2,-0.1 217,-1.3 3,-0.0 2,-0.8 -0.840 21.0-160.1 -88.8 115.2 30.5 3.8 38.8 4 21 A I E +A 219 0A 67 -2,-0.8 215,-0.2 215,-0.2 3,-0.1 -0.885 15.4 174.3 -94.2 107.5 27.4 5.8 39.7 5 22 A Y E - 0 0 41 213,-2.2 2,-0.3 -2,-0.8 60,-0.3 0.829 69.4 -2.0 -81.9 -35.4 25.9 6.8 36.4 6 23 A F E +A 218 0A 18 212,-1.7 212,-2.9 -3,-0.1 -1,-0.3 -0.972 60.8 174.1-158.6 141.0 22.8 8.3 37.9 7 24 A K E +A 217 0A 76 -2,-0.3 2,-0.3 210,-0.2 210,-0.2 -0.966 2.1 177.4-150.9 133.6 21.4 8.8 41.4 8 25 A E E +A 216 0A 8 208,-2.2 208,-2.0 -2,-0.3 207,-0.1 -0.935 18.1 153.0-144.6 118.2 18.3 10.7 42.5 9 26 A Q - 0 0 50 -2,-0.3 38,-0.1 206,-0.2 -1,-0.1 0.364 50.9-128.8-120.9 -1.9 17.0 10.9 46.1 10 27 A F + 0 0 2 1,-0.1 3,-0.4 2,-0.1 37,-0.1 0.928 56.8 146.4 50.5 52.7 15.2 14.3 45.9 11 28 A L + 0 0 108 1,-0.2 -1,-0.1 35,-0.1 37,-0.0 0.444 53.9 65.0 -98.5 -0.1 17.0 15.6 49.0 12 29 A D S > S- 0 0 81 1,-0.3 3,-1.1 0, 0.0 -1,-0.2 -0.040 93.5-126.4-119.8 31.3 17.3 19.3 48.0 13 30 A G G > S- 0 0 35 -3,-0.4 3,-0.9 1,-0.2 -1,-0.3 -0.399 79.8 -3.4 71.2-131.6 13.7 20.6 47.8 14 31 A D G > S+ 0 0 134 1,-0.2 3,-0.9 -2,-0.2 -1,-0.2 0.379 110.6 91.1 -81.3 6.1 12.5 22.3 44.7 15 32 A A G X + 0 0 29 -3,-1.1 3,-2.0 1,-0.2 -1,-0.2 0.639 61.6 83.9 -77.7 -16.5 15.9 22.1 43.0 16 33 A W G X> S+ 0 0 16 -3,-0.9 3,-2.3 1,-0.3 4,-0.8 0.801 76.6 71.4 -52.7 -33.0 15.1 18.7 41.4 17 34 A T G <4 S+ 0 0 74 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.675 87.2 64.4 -61.2 -18.2 13.4 20.7 38.6 18 35 A N G <4 S+ 0 0 137 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.523 110.2 37.8 -77.5 -6.5 16.9 21.7 37.4 19 36 A R T <4 S+ 0 0 83 -3,-2.3 44,-0.5 -4,-0.2 2,-0.4 0.476 109.1 63.8-122.1 -11.9 17.6 18.0 36.7 20 37 A W < - 0 0 10 -4,-0.8 2,-0.5 42,-0.2 42,-0.2 -0.953 65.8-149.3-124.4 140.2 14.3 16.7 35.2 21 38 A V E -H 61 0B 45 40,-3.3 40,-1.9 -2,-0.4 2,-0.4 -0.941 8.4-139.7-115.6 125.8 12.6 17.8 32.0 22 39 A E E -H 60 0B 93 -2,-0.5 38,-0.2 38,-0.2 2,-0.2 -0.718 25.9-125.2 -76.5 127.3 8.9 17.9 31.4 23 40 A S - 0 0 5 36,-2.4 81,-0.2 -2,-0.4 80,-0.2 -0.481 16.0-164.1 -68.2 143.4 8.0 16.7 27.8 24 41 A K + 0 0 129 79,-3.6 80,-0.2 -2,-0.2 -1,-0.1 0.204 59.3 111.9-112.0 11.7 5.8 19.2 25.8 25 42 A H S S+ 0 0 75 80,-0.4 2,-0.3 78,-0.2 -1,-0.1 0.878 87.1 30.0 -51.3 -43.2 4.9 16.5 23.2 26 43 A K S S- 0 0 95 -3,-0.1 3,-0.3 1,-0.1 0, 0.0 -0.825 73.7-142.4-113.8 156.9 1.3 16.8 24.6 27 44 A S S S+ 0 0 135 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.614 96.9 51.1 -89.4 -16.2 -0.3 19.9 26.1 28 45 A D + 0 0 98 -4,-0.0 29,-0.3 2,-0.0 -1,-0.2 -0.069 67.9 143.1-122.9 29.4 -2.2 17.9 28.8 29 46 A F - 0 0 35 -3,-0.3 29,-0.2 -6,-0.2 -7,-0.0 -0.424 56.9-105.6 -58.6 143.9 0.4 15.6 30.5 30 47 A G - 0 0 10 27,-2.8 2,-0.5 23,-0.1 29,-0.4 -0.292 36.8-106.2 -67.5 161.1 -0.3 15.2 34.2 31 48 A K - 0 0 100 27,-0.1 21,-1.7 -3,-0.1 2,-0.4 -0.797 19.4-145.6 -97.8 128.5 2.0 17.0 36.7 32 49 A F E -B 51 0A 10 -2,-0.5 2,-0.3 19,-0.2 19,-0.2 -0.766 22.5-168.2 -81.3 134.2 4.6 15.3 38.9 33 50 A V E -B 50 0A 48 17,-2.5 17,-3.1 -2,-0.4 2,-0.5 -0.923 27.4-109.6-123.0 152.9 5.0 17.0 42.3 34 51 A L E +B 49 0A 35 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.694 58.6 144.8 -79.0 122.2 7.6 16.6 45.1 35 52 A S E -B 48 0A 26 13,-2.5 13,-1.7 -2,-0.5 3,-0.1 -0.985 53.7-154.9-162.1 142.7 5.9 14.7 48.0 36 53 A S - 0 0 7 -2,-0.3 3,-0.2 1,-0.3 11,-0.1 0.300 55.4-136.8 -99.4 7.1 6.4 12.2 50.8 37 54 A G - 0 0 21 1,-0.2 -1,-0.3 11,-0.1 3,-0.1 -0.122 38.1 -48.8 74.6-166.3 2.7 11.4 50.7 38 55 A K S S+ 0 0 163 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.777 127.2 20.2 -81.1 -28.5 0.2 10.9 53.5 39 56 A F S S+ 0 0 6 -3,-0.2 2,-0.3 3,-0.0 -1,-0.2 -0.980 74.8 165.0-140.1 152.2 2.4 8.5 55.5 40 57 A Y - 0 0 57 -2,-0.3 3,-0.2 199,-0.2 203,-0.1 -0.963 46.8-120.5-158.9 159.3 6.1 8.0 55.2 41 58 A G S S+ 0 0 23 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.901 107.2 3.4 -72.6 -45.0 9.2 6.5 57.0 42 59 A D > - 0 0 69 1,-0.1 4,-2.1 -3,-0.1 -1,-0.3 -0.987 69.3-133.9-143.9 130.5 10.7 10.0 57.2 43 60 A L T 4 S+ 0 0 78 -2,-0.3 -1,-0.1 -3,-0.2 -2,-0.1 0.893 106.5 27.7 -48.7 -48.0 9.2 13.3 56.1 44 61 A E T >4 S+ 0 0 110 2,-0.1 3,-1.4 1,-0.1 -1,-0.2 0.920 119.3 51.6 -84.3 -47.1 12.3 14.5 54.3 45 62 A K T 34 S+ 0 0 122 1,-0.3 -2,-0.2 -34,-0.0 -1,-0.1 0.809 108.0 54.1 -61.0 -32.3 14.0 11.2 53.2 46 63 A D T 3< S+ 0 0 15 -4,-2.1 2,-0.3 168,-0.1 -1,-0.3 0.284 75.3 125.2 -94.9 13.0 10.9 9.9 51.6 47 64 A K < + 0 0 40 -3,-1.4 2,-0.2 -37,-0.1 -11,-0.2 -0.560 33.9 140.4 -64.4 128.7 10.3 12.9 49.3 48 65 A G E -B 35 0A 0 -13,-1.7 -13,-2.5 -2,-0.3 2,-0.6 -0.854 56.9 -58.8-153.3-170.2 10.0 11.7 45.7 49 66 A L E -BC 34 213A 0 164,-2.2 164,-2.5 -2,-0.2 2,-0.4 -0.728 51.4-170.5 -87.8 119.7 8.1 12.3 42.5 50 67 A Q E -BC 33 212A 29 -17,-3.1 -17,-2.5 -2,-0.6 2,-0.3 -0.910 25.6-123.5-112.3 135.1 4.3 11.8 42.9 51 68 A T E -B 32 0A 1 160,-2.0 -19,-0.2 -2,-0.4 159,-0.1 -0.590 28.8-175.7 -69.6 131.1 1.7 11.7 40.2 52 69 A S + 0 0 53 -21,-1.7 2,-0.4 -2,-0.3 -1,-0.1 0.482 53.2 65.6-113.8 -3.8 -0.8 14.4 41.1 53 70 A Q S S- 0 0 70 -22,-0.2 3,-0.4 3,-0.0 -1,-0.1 -0.982 72.8-125.9-131.9 128.9 -3.6 14.1 38.5 54 71 A D S S+ 0 0 101 -2,-0.4 154,-0.2 1,-0.2 153,-0.2 -0.322 85.8 9.9 -67.0 144.1 -6.1 11.3 37.7 55 72 A A S S+ 0 0 51 152,-2.2 2,-0.3 151,-0.3 152,-0.2 0.927 96.9 126.0 55.6 56.3 -6.5 9.8 34.2 56 73 A R E - I 0 206B 73 150,-1.4 150,-1.7 -3,-0.4 2,-0.3 -0.973 60.3-118.1-139.4 152.9 -3.4 11.4 32.6 57 74 A F E - I 0 205B 98 -29,-0.3 -27,-2.8 -2,-0.3 2,-0.4 -0.698 30.1-152.5 -82.3 145.4 -0.3 10.5 30.7 58 75 A Y E + I 0 204B 0 146,-3.0 146,-1.7 -2,-0.3 2,-0.2 -0.934 17.3 174.8-121.5 143.7 3.0 11.4 32.4 59 76 A A E + I 0 203B 8 -29,-0.4 -36,-2.4 -2,-0.4 2,-0.3 -0.740 18.3 140.7-154.7 96.8 6.3 12.2 30.6 60 77 A L E -HI 22 202B 4 142,-1.9 142,-3.4 -2,-0.2 2,-0.3 -0.993 20.2-179.4-140.9 143.6 9.3 13.4 32.6 61 78 A S E -HI 21 201B 0 -40,-1.9 -40,-3.3 -2,-0.3 2,-0.4 -0.972 19.1-148.3-147.9 156.9 13.0 12.5 32.2 62 79 A A E - I 0 200B 0 138,-2.5 138,-2.9 -2,-0.3 2,-0.2 -0.996 17.5-147.6-127.2 126.9 16.5 13.1 33.6 63 80 A K E - I 0 199B 140 -44,-0.5 2,-0.3 -2,-0.4 136,-0.3 -0.552 16.4-179.8 -88.7 162.0 19.7 13.1 31.5 64 81 A F E - 0 0 21 134,-2.5 -58,-0.1 -2,-0.2 3,-0.1 -0.950 46.5 -65.6-151.1 165.2 23.1 12.0 32.7 65 82 A E E - 0 0 176 -2,-0.3 132,-0.1 -60,-0.3 134,-0.0 -0.353 67.9-106.6 -55.6 127.6 26.6 11.8 31.2 66 83 A P E + 0 0 56 0, 0.0 2,-0.3 0, 0.0 132,-0.2 -0.253 48.1 169.1 -64.4 147.3 26.3 9.2 28.4 67 84 A F E - I 0 197B 23 130,-1.7 130,-1.8 -3,-0.1 2,-0.4 -0.945 26.5-133.3-146.8 166.8 27.8 5.7 29.0 68 85 A S - 0 0 32 -2,-0.3 127,-0.1 128,-0.2 128,-0.1 -0.953 7.1-148.9-120.6 145.0 27.9 2.2 27.5 69 86 A N > + 0 0 0 125,-0.7 3,-2.8 -2,-0.4 126,-0.1 0.423 50.7 139.5 -88.5 0.9 27.5 -1.1 29.4 70 87 A K T 3 S+ 0 0 125 124,-0.5 -2,-0.1 1,-0.3 3,-0.1 -0.203 78.0 4.1 -48.3 119.7 29.7 -2.9 26.9 71 88 A G T 3 S+ 0 0 57 1,-0.2 2,-0.3 90,-0.1 -1,-0.3 0.521 124.2 70.0 80.5 5.9 32.0 -5.2 28.9 72 89 A Q S < S- 0 0 71 -3,-2.8 -1,-0.2 88,-0.0 2,-0.2 -0.902 83.5 -84.1-145.6 177.1 30.4 -4.5 32.3 73 90 A T - 0 0 27 147,-0.5 2,-0.4 -2,-0.3 87,-0.2 -0.505 30.5-155.3 -80.8 148.0 27.3 -4.9 34.5 74 91 A L E -D 159 0A 1 85,-2.5 85,-2.9 -2,-0.2 2,-0.4 -0.999 10.2-174.9-122.5 128.2 24.3 -2.6 34.4 75 92 A V E -DE 158 219A 0 144,-2.7 144,-2.0 -2,-0.4 2,-0.4 -0.992 4.3-174.7-124.6 130.3 22.1 -2.1 37.4 76 93 A V E +DE 157 218A 2 81,-2.4 81,-2.6 -2,-0.4 2,-0.3 -0.996 16.7 165.3-123.0 128.4 18.9 -0.0 37.4 77 94 A Q E +DE 156 217A 2 140,-2.5 140,-2.8 -2,-0.4 2,-0.3 -0.998 6.4 145.2-149.4 143.1 17.0 0.4 40.7 78 95 A F E -D 155 0A 0 77,-1.7 77,-2.8 -2,-0.3 2,-0.3 -0.964 39.5-107.3-164.8 164.7 14.3 2.6 42.2 79 96 A T E -DE 154 214A 5 135,-2.7 135,-1.4 -2,-0.3 2,-0.4 -0.832 23.7-164.5-102.1 146.7 11.4 2.6 44.7 80 97 A V E -DE 153 213A 3 73,-2.5 73,-2.2 -2,-0.3 2,-0.5 -1.000 4.2-174.4-128.3 129.4 7.7 2.6 43.7 81 98 A K E -DE 152 212A 8 131,-2.1 131,-2.5 -2,-0.4 2,-1.7 -0.920 11.4-167.8-129.6 104.5 4.9 3.4 46.2 82 99 A H E > + E 0 211A 6 69,-0.6 3,-1.7 -2,-0.5 4,-0.4 -0.516 23.3 162.8 -87.5 68.4 1.3 3.1 45.0 83 100 A E T 3 + 0 0 29 -2,-1.7 -1,-0.2 127,-0.6 128,-0.1 0.678 64.3 65.0 -63.8 -20.4 0.0 4.9 48.1 84 101 A Q T 3 S- 0 0 27 -3,-0.2 -1,-0.3 124,-0.1 66,-0.1 0.550 113.6-109.6 -76.9 -10.1 -3.3 5.6 46.5 85 102 A N < - 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