==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 23-NOV-10 3POW . COMPND 2 MOLECULE: CALRETICULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.GABORIAUD . 251 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11763.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 63.7 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 . 89 35.5 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 . 16 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 11.2 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 0 0 0 0 0 0 1 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 1 4 3 1 2 1 1 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 16 A G 0 0 120 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.9 -2.6 -7.2 39.2 2 17 A R - 0 0 248 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.288 360.0-127.8 -56.0 126.4 -0.5 -7.9 36.1 3 18 A E - 0 0 163 1,-0.1 -1,-0.1 2,-0.0 2,-0.0 -0.643 20.9-126.5 -79.7 128.0 1.0 -4.6 34.7 4 19 A P - 0 0 59 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.358 10.3-157.4 -69.6 152.9 0.4 -4.1 30.9 5 20 A A S S+ 0 0 39 1,-0.1 214,-2.2 213,-0.1 2,-0.6 0.653 83.0 63.2 -94.7 -26.6 3.3 -3.4 28.6 6 21 A V E +A 218 0A 49 212,-0.2 212,-0.2 1,-0.1 -1,-0.1 -0.919 53.8 176.3-106.9 119.6 0.9 -1.7 26.0 7 22 A Y E S+ 0 0 39 210,-2.4 2,-0.3 -2,-0.6 60,-0.3 0.709 73.8 5.5 -89.6 -27.8 -0.9 1.5 27.1 8 23 A F E +A 217 0A 21 209,-1.6 209,-2.3 58,-0.1 2,-0.3 -0.954 58.0 175.3-159.7 137.7 -2.6 2.2 23.7 9 24 A K E +A 216 0A 86 -2,-0.3 2,-0.4 207,-0.2 207,-0.2 -0.965 4.4 178.0-144.4 131.2 -2.9 0.5 20.3 10 25 A E E +A 215 0A 7 205,-2.0 205,-2.1 -2,-0.3 204,-0.1 -0.938 18.7 150.9-140.2 118.5 -5.0 1.7 17.4 11 26 A Q - 0 0 48 -2,-0.4 38,-0.1 203,-0.2 -1,-0.1 0.401 51.4-127.0-121.1 -3.9 -5.1 -0.1 14.0 12 27 A F + 0 0 3 1,-0.1 3,-0.3 2,-0.1 37,-0.1 0.946 57.7 144.4 56.0 52.8 -8.7 0.8 12.8 13 28 A L + 0 0 112 1,-0.2 3,-0.1 35,-0.1 -1,-0.1 0.516 53.8 67.2 -97.4 -9.8 -9.7 -2.8 12.1 14 29 A D S > S- 0 0 86 1,-0.3 3,-2.0 0, 0.0 -1,-0.2 -0.185 93.8-127.2-111.3 40.3 -13.3 -2.6 13.1 15 30 A G G > S+ 0 0 32 -3,-0.3 3,-0.8 1,-0.3 -1,-0.3 -0.330 87.4 0.5 57.7-122.0 -14.9 -0.4 10.5 16 31 A D G > S+ 0 0 132 1,-0.2 3,-1.8 2,-0.1 -1,-0.3 0.469 106.4 99.7 -77.2 -1.4 -16.8 2.6 12.0 17 32 A G G X + 0 0 22 -3,-2.0 3,-1.5 1,-0.3 -1,-0.2 0.682 65.5 74.3 -56.0 -24.0 -15.9 1.3 15.5 18 33 A W G X> S+ 0 0 20 -3,-0.8 3,-2.2 1,-0.3 4,-1.2 0.797 79.2 72.2 -62.8 -28.8 -13.1 3.9 15.7 19 34 A T G <4 S+ 0 0 84 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.659 93.5 56.3 -62.5 -15.2 -15.7 6.8 16.2 20 35 A S G <4 S+ 0 0 109 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.509 111.9 42.1 -90.6 -7.4 -16.3 5.4 19.8 21 36 A R T <4 S+ 0 0 91 -3,-2.2 44,-0.6 -4,-0.2 2,-0.4 0.573 108.8 60.1-113.0 -16.6 -12.6 5.8 20.6 22 37 A W E < -H 64 0B 8 -4,-1.2 2,-0.4 42,-0.2 42,-0.2 -0.950 65.6-153.1-122.2 135.3 -11.7 9.2 19.1 23 38 A I E -H 63 0B 68 40,-2.9 40,-1.9 -2,-0.4 2,-0.4 -0.931 11.0-137.3-112.7 133.3 -13.3 12.6 19.9 24 39 A E E -H 62 0B 101 -2,-0.4 38,-0.2 38,-0.2 2,-0.1 -0.709 25.5-124.2 -83.7 129.3 -13.6 15.6 17.6 25 40 A S - 0 0 10 36,-2.5 81,-0.2 -2,-0.4 80,-0.2 -0.505 14.9-162.4 -71.3 145.7 -12.8 18.9 19.2 26 41 A K + 0 0 153 79,-3.1 80,-0.2 -2,-0.1 -1,-0.1 0.100 57.7 116.7-110.2 15.1 -15.5 21.6 19.0 27 42 A H S S+ 0 0 64 80,-0.4 2,-0.3 78,-0.1 -1,-0.1 0.852 90.0 18.0 -51.6 -38.6 -13.0 24.4 19.8 28 43 A K S S- 0 0 114 -3,-0.2 3,-0.4 1,-0.0 -1,-0.0 -0.891 72.9-138.8-125.0 159.8 -13.8 25.8 16.3 29 44 A S S S+ 0 0 132 -2,-0.3 -2,-0.1 1,-0.2 -3,-0.0 0.405 96.9 59.7 -98.3 4.0 -16.8 24.9 14.1 30 45 A D + 0 0 87 2,-0.0 29,-0.3 -4,-0.0 -1,-0.2 0.008 68.1 135.8-121.8 25.8 -14.7 24.7 10.9 31 46 A F - 0 0 21 -3,-0.4 29,-0.2 -6,-0.2 2,-0.1 -0.453 58.5-106.4 -70.0 153.0 -12.1 22.0 11.6 32 47 A G - 0 0 7 27,-3.0 29,-0.4 23,-0.1 2,-0.4 -0.326 32.2-115.6 -76.5 159.2 -11.5 19.4 8.9 33 48 A K - 0 0 90 27,-0.1 21,-1.7 -2,-0.1 2,-0.4 -0.794 12.8-140.9 -99.6 140.4 -12.8 15.9 9.0 34 49 A F E -B 53 0A 13 -2,-0.4 2,-0.3 19,-0.2 19,-0.2 -0.769 21.3-163.8 -89.6 140.6 -10.8 12.7 9.2 35 50 A V E -B 52 0A 61 17,-2.2 17,-2.9 -2,-0.4 2,-0.6 -0.931 24.2-111.9-121.9 150.4 -12.3 9.8 7.1 36 51 A L E +B 51 0A 42 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.727 58.6 136.5 -84.7 119.4 -11.4 6.1 7.4 37 52 A S E -B 50 0A 35 13,-2.3 13,-2.2 -2,-0.6 -2,-0.0 -0.993 56.3-148.3-159.4 155.8 -9.5 5.0 4.2 38 53 A S - 0 0 7 -2,-0.3 3,-0.3 11,-0.3 11,-0.1 0.378 56.0-142.5-103.5 2.2 -6.6 3.0 2.8 39 54 A G - 0 0 21 1,-0.2 -1,-0.3 11,-0.1 3,-0.1 -0.205 37.5 -41.8 75.2-166.5 -6.3 5.5 -0.1 40 55 A K S S+ 0 0 124 1,-0.2 2,-0.3 -2,-0.0 -1,-0.2 0.772 127.0 16.6 -70.7 -35.9 -5.5 5.1 -3.8 41 56 A F S S+ 0 0 4 -3,-0.3 2,-0.3 3,-0.0 -1,-0.2 -0.961 75.9 155.0-139.4 148.3 -2.7 2.6 -3.4 42 57 A Y - 0 0 48 -2,-0.3 200,-0.2 196,-0.2 3,-0.2 -0.971 50.9-111.7-165.1 167.8 -1.9 0.4 -0.3 43 58 A G S S+ 0 0 23 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.941 107.6 2.4 -74.8 -51.0 -0.3 -2.8 1.0 44 59 A D > - 0 0 61 -3,-0.1 4,-2.4 1,-0.1 -1,-0.4 -0.996 69.8-135.4-141.0 128.2 -3.7 -4.4 1.9 45 60 A E T 4 S+ 0 0 108 -2,-0.3 -7,-0.1 1,-0.2 -1,-0.1 0.790 104.4 30.4 -56.0 -34.9 -7.0 -2.7 1.4 46 61 A E T >4 S+ 0 0 111 2,-0.1 3,-1.3 1,-0.1 -1,-0.2 0.888 120.4 47.2 -91.1 -49.9 -8.4 -3.5 4.8 47 62 A K T 34 S+ 0 0 126 1,-0.2 -2,-0.2 -9,-0.0 188,-0.1 0.874 109.9 56.2 -62.2 -35.5 -5.2 -3.6 7.1 48 63 A D T 3< S+ 0 0 13 -4,-2.4 -1,-0.2 165,-0.1 2,-0.2 0.300 76.3 121.8 -85.2 10.8 -4.0 -0.3 5.6 49 64 A K < + 0 0 51 -3,-1.3 -11,-0.3 -37,-0.1 2,-0.2 -0.520 35.0 146.2 -69.8 138.4 -7.1 1.7 6.5 50 65 A G E -B 37 0A 0 -13,-2.2 -13,-2.3 -2,-0.2 2,-0.5 -0.865 54.7 -58.9-154.4-173.5 -6.3 4.7 8.8 51 66 A L E -BC 36 212A 0 161,-2.1 161,-2.5 -2,-0.2 2,-0.4 -0.710 53.5-167.5 -81.4 123.2 -7.4 8.2 9.6 52 67 A Q E -BC 35 211A 29 -17,-2.9 -17,-2.2 -2,-0.5 159,-0.2 -0.946 24.1-122.8-117.1 131.5 -7.1 10.4 6.4 53 68 A T E -B 34 0A 2 157,-2.0 156,-0.2 -2,-0.4 -19,-0.2 -0.510 29.5-175.3 -67.7 131.2 -7.3 14.2 6.3 54 69 A S + 0 0 54 -21,-1.7 2,-0.4 -2,-0.2 -1,-0.1 0.506 54.4 62.3-112.2 -5.8 -10.2 15.0 3.9 55 70 A Q S S- 0 0 61 -22,-0.2 3,-0.3 3,-0.0 150,-0.1 -0.986 72.3-131.1-128.8 128.9 -10.2 18.8 3.5 56 71 A D S S+ 0 0 100 -2,-0.4 151,-0.2 1,-0.2 150,-0.2 -0.294 86.1 17.8 -71.4 158.5 -7.5 21.1 2.0 57 72 A A S S+ 0 0 54 149,-1.9 2,-0.3 1,-0.2 149,-0.2 0.916 99.2 129.1 46.9 59.5 -6.4 24.3 3.9 58 73 A R E - I 0 205B 91 147,-1.8 147,-1.9 -3,-0.3 2,-0.3 -0.984 59.7-124.1-145.3 151.1 -7.8 23.2 7.2 59 74 A F E - I 0 204B 114 -29,-0.3 -27,-3.0 -2,-0.3 2,-0.3 -0.723 28.5-156.7 -88.2 143.5 -7.0 22.8 10.9 60 75 A Y E + I 0 203B 1 143,-3.0 143,-1.5 -2,-0.3 2,-0.2 -0.934 16.4 175.7-121.2 146.2 -7.6 19.3 12.4 61 76 A A E + I 0 202B 7 -29,-0.4 -36,-2.5 -2,-0.3 2,-0.3 -0.719 19.4 143.2-156.0 93.9 -8.2 18.4 16.1 62 77 A L E -HI 24 201B 2 139,-1.9 139,-3.2 -38,-0.2 2,-0.3 -0.988 20.4-179.9-132.4 137.5 -9.1 14.7 16.9 63 78 A S E -HI 23 200B 0 -40,-1.9 -40,-2.9 -2,-0.3 2,-0.4 -0.986 19.1-145.1-144.5 156.6 -7.9 12.8 20.0 64 79 A A E -HI 22 199B 0 135,-2.7 135,-2.5 -2,-0.3 2,-0.2 -0.986 15.9-143.2-125.4 131.5 -8.1 9.3 21.7 65 80 A S E + I 0 198B 61 -44,-0.6 2,-0.3 -2,-0.4 133,-0.2 -0.521 19.5 177.9 -86.4 154.0 -8.2 8.7 25.5 66 81 A F E - 0 0 17 131,-2.2 -58,-0.1 -2,-0.2 3,-0.1 -0.958 47.2 -70.1-149.3 162.4 -6.5 5.8 27.3 67 82 A E E - 0 0 160 -60,-0.3 129,-0.1 -2,-0.3 131,-0.0 -0.333 67.2-108.1 -53.8 119.3 -6.2 4.6 31.0 68 83 A P E + 0 0 57 0, 0.0 2,-0.3 0, 0.0 129,-0.2 -0.239 47.9 171.6 -57.9 146.7 -3.8 7.2 32.5 69 84 A F E - I 0 196B 22 127,-1.8 127,-2.1 -3,-0.1 2,-0.4 -0.973 27.3-131.7-149.2 164.1 -0.3 6.2 33.3 70 85 A S - 0 0 41 -2,-0.3 124,-0.2 125,-0.2 125,-0.1 -0.930 6.0-151.0-118.6 143.1 3.1 7.6 34.4 71 86 A N > + 0 0 1 122,-0.9 3,-2.5 -2,-0.4 123,-0.1 0.376 49.9 138.8 -91.1 4.0 6.5 6.9 32.7 72 87 A K T 3 S- 0 0 135 121,-0.5 -2,-0.1 1,-0.3 3,-0.1 -0.288 80.8 -0.2 -54.8 126.0 8.3 7.4 36.1 73 88 A G T 3 S+ 0 0 57 1,-0.2 -1,-0.3 90,-0.1 2,-0.3 0.442 123.5 84.3 72.6 6.9 11.0 4.7 36.4 74 89 A Q S < S- 0 0 78 -3,-2.5 2,-0.2 88,-0.1 -1,-0.2 -0.854 82.2-100.0-132.0 166.3 10.1 3.2 33.1 75 90 A T - 0 0 29 144,-0.5 2,-0.4 -2,-0.3 87,-0.2 -0.620 31.9-152.4 -83.3 150.2 10.8 3.6 29.3 76 91 A L E -D 161 0A 2 85,-2.8 85,-3.0 -2,-0.2 2,-0.4 -0.989 12.2-175.9-123.1 131.3 8.1 5.4 27.2 77 92 A V E -DE 160 218A 0 141,-2.3 141,-2.0 -2,-0.4 2,-0.4 -0.997 6.6-173.9-129.5 130.0 7.7 4.7 23.5 78 93 A V E +DE 159 217A 2 81,-2.1 81,-2.6 -2,-0.4 2,-0.3 -0.986 18.5 167.3-118.4 128.7 5.2 6.5 21.1 79 94 A Q E +DE 158 216A 0 137,-2.4 137,-2.6 -2,-0.4 2,-0.3 -0.996 6.8 146.1-145.7 146.8 5.0 5.1 17.6 80 95 A F E -D 157 0A 0 77,-1.7 77,-2.8 -2,-0.3 2,-0.3 -0.964 39.1-108.4-167.5 166.7 2.7 5.5 14.5 81 96 A T E -DE 156 213A 3 132,-2.9 132,-1.5 -2,-0.3 2,-0.4 -0.854 23.0-165.3-107.5 147.6 2.7 5.5 10.7 82 97 A V E -DE 155 212A 3 73,-2.2 73,-1.9 -2,-0.3 2,-0.5 -1.000 3.9-174.5-129.8 130.4 2.3 8.6 8.5 83 98 A K E -DE 154 211A 6 128,-2.1 128,-2.3 -2,-0.4 2,-1.8 -0.918 10.4-167.3-129.0 102.6 1.6 8.3 4.7 84 99 A H > + 0 0 7 69,-0.6 3,-1.9 -2,-0.5 4,-0.4 -0.486 23.4 163.8 -86.9 66.9 1.5 11.6 2.7 85 100 A E T 3 + 0 0 28 -2,-1.8 -1,-0.2 124,-0.5 67,-0.1 0.688 64.7 65.0 -59.8 -23.1 -0.1 9.9 -0.3 86 101 A Q T 3 S- 0 0 32 -3,-0.2 -1,-0.3 121,-0.1 66,-0.1 0.549 114.6-110.8 -75.6 -13.0 -1.2 13.3 -1.8 87 102 A N < - 0 0 80 -3,-1.9 -2,-0.1 64,-0.2 2,-0.1 0.954 47.4-129.9 69.2 77.3 2.5 14.4 -2.4 88 103 A I - 0 0 20 -4,-0.4 3,-0.1 63,-0.2 35,-0.1 -0.375 33.8-174.5 -69.1 140.9 2.3 17.1 0.3 89 104 A D S S- 0 0 75 1,-0.3 34,-2.5 118,-0.1 2,-0.3 0.883 78.2 -6.3 -92.2 -56.2 3.3 20.7 -0.1 90 105 A a E S+J 122 0B 22 32,-0.2 116,-3.0 117,-0.1 117,-0.3 -0.953 85.0 113.7-145.5 126.3 2.7 22.0 3.5 91 106 A G E -JK 121 205B 1 30,-2.8 30,-1.8 -2,-0.3 114,-0.3 -0.817 52.2-106.4 174.5 148.8 1.2 20.1 6.4 92 107 A G E +J 120 0B 2 112,-2.5 28,-0.2 -2,-0.2 111,-0.1 -0.399 22.2 176.0 -79.9 156.5 1.8 18.7 9.9 93 108 A G + 0 0 0 26,-2.0 2,-0.2 -2,-0.1 27,-0.2 0.031 44.3 113.2-147.5 30.0 2.0 14.9 10.6 94 109 A Y - 0 0 33 24,-0.3 108,-0.4 108,-0.2 24,-0.3 -0.602 51.8-135.6-107.6 162.6 2.9 14.9 14.3 95 110 A V E -L 117 0B 2 22,-2.7 22,-2.7 -2,-0.2 2,-0.4 -0.745 6.4-145.6-113.3 163.3 1.2 13.8 17.5 96 111 A K E -LM 116 200B 8 104,-2.0 104,-3.0 -2,-0.3 2,-0.5 -0.982 5.5-149.3-127.6 139.8 0.8 15.2 21.0 97 112 A L E -LM 115 199B 2 18,-2.8 17,-2.7 -2,-0.4 18,-1.5 -0.961 25.0-169.8-107.5 123.7 0.6 13.4 24.3 98 113 A F E - 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