==== 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 3O0W . COMPND 2 MOLECULE: CALRETICULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR G.KOZLOV,K.GEHRING . 248 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11173.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 64.1 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 . 89 35.9 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 1 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 . 19 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 1 0 0 0 1 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 . 2 2 3 3 1 2 0 2 1 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 1 0 1 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 0 145 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 117.9 -20.0 20.0 24.5 2 19 A P - 0 0 49 0, 0.0 2,-0.5 0, 0.0 218,-0.0 -0.598 360.0-121.0 -71.4 135.1 -20.2 16.3 23.2 3 20 A A - 0 0 32 -2,-0.3 218,-1.3 1,-0.0 2,-0.8 -0.705 23.4-159.5 -74.4 121.9 -17.9 13.8 25.0 4 21 A I E +A 220 0A 72 -2,-0.5 216,-0.2 216,-0.2 3,-0.2 -0.909 18.4 170.5-105.0 99.9 -15.7 12.3 22.3 5 22 A Y E + 0 0 43 214,-1.9 2,-0.3 -2,-0.8 60,-0.3 0.818 69.6 1.1 -80.5 -33.8 -14.5 9.0 23.9 6 23 A F E +A 219 0A 17 213,-1.6 213,-2.5 58,-0.1 2,-0.3 -0.955 60.5 175.1-156.3 134.7 -12.9 7.7 20.7 7 24 A K E +A 218 0A 71 -2,-0.3 2,-0.3 211,-0.2 211,-0.2 -0.994 2.1 176.6-138.9 137.0 -12.6 8.9 17.1 8 25 A E E +A 217 0A 8 209,-2.2 209,-1.8 -2,-0.3 208,-0.1 -0.882 18.8 149.2-143.6 116.0 -10.7 7.3 14.2 9 26 A Q - 0 0 51 -2,-0.3 38,-0.1 207,-0.2 -1,-0.1 0.459 50.0-131.7-118.1 -9.4 -10.6 8.6 10.7 10 27 A F + 0 0 3 1,-0.1 3,-0.4 2,-0.1 37,-0.1 0.924 55.0 146.0 56.7 47.1 -7.1 7.4 9.6 11 28 A L + 0 0 106 1,-0.2 -1,-0.1 35,-0.1 35,-0.0 0.490 54.1 64.9 -92.1 -3.4 -6.3 10.9 8.2 12 29 A D S > S- 0 0 81 1,-0.3 3,-1.4 0, 0.0 -1,-0.2 -0.220 94.9-121.2-123.2 44.1 -2.6 10.8 9.1 13 30 A G G > S- 0 0 42 -3,-0.4 3,-0.9 1,-0.2 -1,-0.3 -0.277 84.5 -4.4 59.9-132.0 -1.0 8.0 7.0 14 31 A D G > S+ 0 0 127 1,-0.2 3,-1.5 2,-0.1 -1,-0.2 0.382 104.5 98.3 -80.2 5.4 0.8 5.3 8.9 15 32 A A G X + 0 0 23 -3,-1.4 3,-2.1 1,-0.3 4,-0.4 0.719 64.4 78.3 -66.9 -22.5 0.3 6.9 12.4 16 33 A W G X> S+ 0 0 30 -3,-0.9 3,-1.7 1,-0.3 4,-1.7 0.769 77.8 73.9 -53.9 -27.6 -2.7 4.6 13.0 17 34 A T G <4 S+ 0 0 73 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.658 92.8 53.6 -67.7 -13.9 -0.3 1.8 13.8 18 35 A N G <4 S+ 0 0 141 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.593 113.2 43.6 -89.5 -13.1 0.5 3.6 17.1 19 36 A R T <4 S+ 0 0 85 -3,-1.7 44,-0.5 -4,-0.4 2,-0.4 0.636 108.5 60.4-104.1 -22.5 -3.2 3.6 18.0 20 37 A W < - 0 0 10 -4,-1.7 2,-0.4 42,-0.2 42,-0.2 -0.894 66.4-154.5-115.6 142.2 -4.2 0.1 16.9 21 38 A V E -H 61 0B 41 40,-3.1 40,-2.0 -2,-0.4 2,-0.4 -0.961 9.5-139.7-119.4 128.0 -2.8 -3.2 18.4 22 39 A E E -H 60 0B 85 -2,-0.4 38,-0.2 38,-0.2 2,-0.2 -0.724 24.1-126.5 -80.6 130.6 -2.6 -6.6 16.6 23 40 A S - 0 0 6 36,-2.4 81,-0.2 -2,-0.4 80,-0.2 -0.497 13.2-161.6 -70.6 145.7 -3.4 -9.6 18.8 24 41 A K + 0 0 123 79,-3.0 80,-0.2 -2,-0.2 -1,-0.1 0.138 60.3 112.6-111.0 16.5 -0.9 -12.4 19.0 25 42 A H S S+ 0 0 68 80,-0.3 2,-0.3 78,-0.1 -1,-0.1 0.868 88.1 29.1 -55.2 -41.5 -3.4 -14.9 20.4 26 43 A K S S- 0 0 110 -3,-0.1 3,-0.4 33,-0.1 33,-0.0 -0.882 74.8-143.5-112.6 155.4 -3.0 -16.7 17.0 27 44 A S S S+ 0 0 135 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.559 96.0 53.7 -89.2 -11.4 0.1 -16.7 14.8 28 45 A D + 0 0 100 2,-0.0 29,-0.4 -4,-0.0 -1,-0.2 -0.123 68.3 144.7-123.3 33.2 -1.9 -16.6 11.6 29 46 A F - 0 0 38 -3,-0.4 29,-0.2 -6,-0.2 2,-0.0 -0.449 54.7-107.1 -63.4 144.3 -4.3 -13.7 11.9 30 47 A G - 0 0 4 27,-2.9 2,-0.4 -2,-0.1 29,-0.4 -0.303 36.1-109.3 -70.3 159.9 -5.0 -11.8 8.7 31 48 A K - 0 0 100 27,-0.1 21,-2.0 -9,-0.0 2,-0.4 -0.789 16.4-143.5 -99.6 136.0 -3.5 -8.4 8.1 32 49 A F E -B 51 0A 9 -2,-0.4 2,-0.3 19,-0.2 19,-0.2 -0.745 19.4-167.8 -84.6 140.9 -5.2 -5.1 8.0 33 50 A V E -B 50 0A 63 17,-2.2 17,-3.5 -2,-0.4 2,-0.7 -0.960 25.9-115.4-128.0 146.1 -3.9 -2.6 5.5 34 51 A L E +B 49 0A 36 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.749 55.0 147.6 -85.2 118.4 -4.7 1.1 5.2 35 52 A S E -B 48 0A 28 13,-2.8 13,-1.6 -2,-0.7 3,-0.1 -0.999 53.9-150.4-153.1 147.3 -6.5 1.7 1.9 36 53 A S - 0 0 3 -2,-0.3 3,-0.2 11,-0.2 5,-0.1 0.496 55.4-137.7 -87.9 -9.9 -9.1 3.8 0.0 37 54 A G - 0 0 20 1,-0.2 -1,-0.2 11,-0.1 3,-0.1 -0.221 36.5 -52.8 79.7-173.1 -9.8 0.8 -2.3 38 55 A K S S+ 0 0 158 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.850 126.6 21.6 -72.6 -36.7 -10.4 0.7 -6.0 39 56 A F S S+ 0 0 7 -3,-0.2 2,-0.3 3,-0.0 -1,-0.1 -0.957 75.7 156.6-134.3 151.5 -13.1 3.4 -6.0 40 57 A Y - 0 0 52 -2,-0.3 3,-0.2 200,-0.2 204,-0.2 -0.981 50.2-114.2-167.6 160.4 -13.8 6.1 -3.4 41 58 A G S S- 0 0 23 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.918 105.2 -0.8 -71.2 -45.2 -15.4 9.4 -2.6 42 59 A D > - 0 0 58 1,-0.1 4,-2.2 -3,-0.1 -1,-0.3 -0.979 65.9-134.2-150.3 130.7 -12.0 11.0 -1.9 43 60 A L T 4 S+ 0 0 90 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 0.884 105.3 35.5 -53.6 -46.0 -8.6 9.4 -2.0 44 61 A E T >4 S+ 0 0 152 1,-0.1 3,-1.1 2,-0.1 -1,-0.2 0.941 119.6 45.3 -75.9 -49.9 -7.4 10.9 1.3 45 62 A K T 34 S+ 0 0 108 1,-0.2 -2,-0.2 -9,-0.0 -1,-0.1 0.809 108.4 56.2 -68.5 -32.5 -10.6 10.9 3.4 46 63 A D T 3< S+ 0 0 16 -4,-2.2 2,-0.3 169,-0.1 -1,-0.2 0.274 73.2 123.0 -96.2 13.3 -11.7 7.4 2.5 47 64 A K < + 0 0 56 -3,-1.1 2,-0.3 -37,-0.1 -11,-0.2 -0.551 35.5 144.4 -61.2 132.1 -8.6 5.7 3.7 48 65 A G E -B 35 0A 0 -13,-1.6 -13,-2.8 -2,-0.3 2,-0.6 -0.912 55.0 -60.1-157.6-176.0 -9.6 3.1 6.3 49 66 A L E -BC 34 214A 0 165,-1.8 165,-2.4 -2,-0.3 2,-0.5 -0.651 50.9-167.4 -80.3 119.3 -8.6 -0.3 7.6 50 67 A Q E -BC 33 213A 34 -17,-3.5 -17,-2.2 -2,-0.6 2,-0.3 -0.901 23.7-125.8-111.2 130.0 -9.0 -3.0 4.9 51 68 A T E -B 32 0A 1 161,-2.1 160,-0.3 -2,-0.5 -19,-0.2 -0.565 29.3-174.4 -67.0 131.5 -8.9 -6.8 5.4 52 69 A S + 0 0 53 -21,-2.0 2,-0.4 -2,-0.3 -1,-0.1 0.515 53.0 62.7-112.8 -5.4 -6.2 -8.0 3.1 53 70 A Q S S- 0 0 70 -22,-0.3 3,-0.3 156,-0.0 -1,-0.1 -0.977 73.0-127.2-132.1 126.5 -6.2 -11.8 3.2 54 71 A D S S+ 0 0 96 -2,-0.4 155,-0.2 1,-0.2 154,-0.2 -0.226 86.9 15.2 -64.3 155.0 -8.9 -14.3 2.3 55 72 A A S S+ 0 0 56 153,-2.2 2,-0.3 152,-0.2 153,-0.2 0.913 97.1 131.3 45.2 60.6 -10.2 -17.0 4.7 56 73 A R E - I 0 207B 78 151,-1.6 151,-1.6 -3,-0.3 2,-0.3 -0.978 58.1-124.5-138.1 150.1 -8.6 -15.4 7.8 57 74 A F E - I 0 206B 112 -29,-0.4 -27,-2.9 -2,-0.3 2,-0.4 -0.752 30.0-152.6 -86.0 146.2 -9.5 -14.5 11.4 58 75 A Y E + I 0 205B 0 147,-2.8 147,-1.4 -2,-0.3 2,-0.2 -0.950 18.9 174.4-124.4 138.3 -8.8 -10.8 12.2 59 76 A A E + I 0 204B 7 -29,-0.4 -36,-2.4 -2,-0.4 2,-0.3 -0.753 20.2 140.6-149.2 95.8 -8.0 -9.3 15.7 60 77 A L E +HI 22 203B 4 143,-1.8 143,-3.3 -2,-0.2 2,-0.3 -0.995 20.3 175.2-137.8 139.2 -7.1 -5.7 15.9 61 78 A S E -HI 21 202B 0 -40,-2.0 -40,-3.1 -2,-0.3 2,-0.4 -0.963 20.9-146.3-148.1 162.1 -8.1 -3.2 18.6 62 79 A A E - I 0 201B 0 139,-2.7 139,-2.5 -2,-0.3 2,-0.2 -0.996 16.1-144.3-136.0 127.0 -7.7 0.4 19.8 63 80 A K E - I 0 200B 145 -44,-0.5 2,-0.3 -2,-0.4 137,-0.2 -0.492 16.7-179.9 -84.8 157.9 -7.7 1.6 23.4 64 81 A F E - 0 0 21 135,-2.2 -58,-0.1 -2,-0.2 3,-0.1 -0.933 47.7 -70.9-146.8 164.3 -9.2 4.9 24.8 65 82 A E E - 0 0 177 -2,-0.3 133,-0.1 -60,-0.3 135,-0.0 -0.429 68.5-104.0 -60.6 123.8 -9.4 6.5 28.2 66 83 A P E + 0 0 84 0, 0.0 2,-0.3 0, 0.0 133,-0.2 -0.111 46.5 173.3 -56.7 147.5 -12.0 4.4 30.1 67 84 A F E - I 0 198B 20 131,-1.7 131,-2.0 -3,-0.1 2,-0.4 -0.972 25.2-135.3-146.7 162.3 -15.5 5.6 30.7 68 85 A S - 0 0 34 -2,-0.3 128,-0.1 129,-0.2 129,-0.1 -0.950 7.2-150.0-115.9 141.1 -18.9 4.4 32.0 69 86 A N > + 0 0 0 126,-0.7 3,-2.5 -2,-0.4 127,-0.1 0.393 51.5 137.3 -87.0 2.4 -22.2 5.0 30.3 70 87 A K T 3 S+ 0 0 123 125,-0.5 -2,-0.1 1,-0.3 3,-0.1 -0.293 78.9 3.2 -51.4 123.4 -24.0 5.0 33.6 71 88 A G T 3 S+ 0 0 59 1,-0.2 -1,-0.3 90,-0.1 2,-0.2 0.400 125.0 73.7 80.5 -0.5 -26.6 7.9 33.7 72 89 A Q S < S- 0 0 61 -3,-2.5 2,-0.3 88,-0.1 -1,-0.2 -0.776 84.1 -89.7-135.7 176.3 -25.8 8.9 30.1 73 90 A T - 0 0 24 148,-0.5 2,-0.4 -2,-0.2 87,-0.2 -0.670 30.4-153.6 -88.6 145.4 -26.2 8.0 26.4 74 91 A L E -D 159 0A 0 85,-2.7 85,-3.1 -2,-0.3 2,-0.4 -0.987 10.4-173.4-118.0 129.7 -23.8 5.8 24.6 75 92 A V E -DE 158 220A 0 145,-2.6 145,-2.2 -2,-0.4 2,-0.5 -0.993 4.4-173.4-126.0 123.7 -23.3 6.0 20.8 76 93 A V E +DE 157 219A 1 81,-2.6 81,-2.8 -2,-0.4 2,-0.3 -0.984 16.6 168.7-112.9 127.1 -21.2 3.7 18.7 77 94 A Q E +DE 156 218A 1 141,-2.7 141,-2.7 -2,-0.5 2,-0.3 -0.993 7.3 143.3-142.6 141.5 -20.7 4.5 15.1 78 95 A F E -D 155 0A 0 77,-2.0 77,-3.1 -2,-0.3 2,-0.4 -0.970 37.9-113.9-162.2 165.2 -18.6 3.4 12.1 79 96 A T E -DE 154 215A 1 136,-2.6 136,-1.7 -2,-0.3 2,-0.4 -0.864 22.0-165.0-106.3 147.5 -18.7 2.9 8.3 80 97 A V E -DE 153 214A 3 73,-2.3 73,-2.2 -2,-0.4 2,-0.5 -0.999 3.8-173.2-130.2 131.6 -18.3 -0.5 6.6 81 98 A K E -DE 152 213A 8 132,-1.9 132,-2.4 -2,-0.4 2,-1.5 -0.932 10.6-166.9-130.1 105.8 -17.6 -1.0 2.9 82 99 A H > + 0 0 8 69,-0.6 3,-1.9 67,-0.5 4,-0.4 -0.489 22.9 163.8 -87.5 64.8 -17.7 -4.5 1.5 83 100 A E T 3 + 0 0 31 -2,-1.5 -1,-0.2 128,-0.5 129,-0.1 0.686 65.3 64.6 -54.8 -22.7 -16.0 -3.4 -1.8 84 101 A Q T 3 S- 0 0 27 -3,-0.2 -1,-0.3 125,-0.1 66,-0.1 0.556 112.5-111.1 -81.2 -8.5 -15.2 -7.0 -2.6 85 102 A N < - 0 0 84 -3,-1.9 -2,-0.1 64,-0.2 65,-0.1 0.978 46.2-134.0 62.3 74.1 -18.8 -8.2 -3.0 86 103 A I - 0 0 18 -4,-0.4 3,-0.1 63,-0.2 124,-0.1 -0.202 32.4-175.1 -69.2 142.4 -18.5 -10.3 0.1 87 104 A D S S- 0 0 76 1,-0.4 34,-2.5 122,-0.1 2,-0.3 0.811 79.7 -4.4 -92.8 -48.9 -19.8 -13.9 0.3 88 105 A a E S+J 120 0B 19 32,-0.3 120,-2.7 121,-0.1 121,-0.4 -0.978 85.8 112.4-149.5 127.5 -19.1 -14.5 4.0 89 106 A G E -JK 119 207B 1 30,-3.4 30,-1.1 -2,-0.3 118,-0.3 -0.731 52.3-105.2 169.3 145.7 -17.5 -12.2 6.5 90 107 A G E +J 118 0B 2 116,-2.3 28,-0.2 -2,-0.2 122,-0.1 -0.340 21.1 177.9 -78.3 161.4 -18.1 -10.1 9.6 91 108 A G + 0 0 0 26,-1.7 2,-0.2 113,-0.1 27,-0.2 0.030 46.5 109.7-149.3 27.6 -18.3 -6.2 9.7 92 109 A Y - 0 0 31 24,-0.3 112,-0.4 112,-0.2 24,-0.3 -0.642 53.1-136.7-112.4 162.4 -19.1 -5.6 13.4 93 110 A V E -L 115 0B 1 22,-2.8 22,-2.2 -2,-0.2 2,-0.4 -0.752 7.2-146.4-113.4 161.7 -17.2 -4.1 16.4 94 111 A K E -LM 114 202B 6 108,-1.9 108,-2.6 -2,-0.3 2,-0.5 -0.978 6.4-148.2-124.4 142.4 -16.9 -5.1 20.0 95 112 A L E -LM 113 201B 0 18,-2.9 17,-2.9 -2,-0.4 18,-1.4 -0.970 21.0-162.5-111.0 125.3 -16.5 -2.8 23.0 96 113 A F E - 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