==== 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 3POS . COMPND 2 MOLECULE: CALRETICULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.CHOUQUET,H.PAIDASSI,W.-L.LING,P.FRACHET,G.HOUEN,G.J.ARLAUD . 753 8 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33146.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 488 64.8 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 . 271 36.0 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 . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 3 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 . 55 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 3 0 0 0 0 0 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 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 . 6 4 11 9 1 6 4 4 3 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 3 0 3 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 12 A G 0 0 136 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 173.8 27.4 64.4 118.6 2 13 A S 0 0 167 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.562 360.0 360.0 -81.4 360.0 23.7 64.9 119.6 3 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 4 18 A E 0 0 228 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.7 19.3 57.6 115.7 5 19 A P - 0 0 52 0, 0.0 2,-0.5 0, 0.0 217,-0.0 -0.400 360.0-125.6 -64.4 134.0 19.1 53.8 115.0 6 20 A A - 0 0 31 -2,-0.1 215,-1.3 1,-0.0 2,-0.8 -0.701 19.3-159.4 -78.2 119.6 21.6 51.8 117.0 7 21 A V E +A 220 0A 66 -2,-0.5 213,-0.2 213,-0.2 3,-0.1 -0.896 15.4 175.1-101.5 97.2 23.6 49.7 114.4 8 22 A Y E - 0 0 43 211,-1.5 2,-0.3 -2,-0.8 60,-0.2 0.759 68.7 -0.4 -73.6 -29.2 25.0 46.9 116.7 9 23 A F E +A 219 0A 21 210,-1.5 210,-2.5 58,-0.1 2,-0.3 -0.944 62.1 173.8-161.3 138.9 26.6 45.0 113.8 10 24 A K E +A 218 0A 74 -2,-0.3 2,-0.3 208,-0.2 208,-0.2 -0.967 2.1 176.5-148.9 134.1 26.9 45.4 110.0 11 25 A E E +A 217 0A 7 206,-2.0 206,-2.2 -2,-0.3 205,-0.0 -0.917 17.5 152.4-145.1 120.9 28.9 43.4 107.5 12 26 A Q - 0 0 43 -2,-0.3 38,-0.1 204,-0.2 -1,-0.1 0.389 52.1-126.0-120.7 -7.8 28.9 43.9 103.7 13 27 A F + 0 0 1 1,-0.1 3,-0.3 2,-0.1 37,-0.1 0.935 59.0 144.6 57.5 50.8 32.4 42.6 102.8 14 28 A L + 0 0 88 1,-0.2 3,-0.1 35,-0.1 -1,-0.1 0.443 54.6 65.7 -98.9 -1.9 33.3 45.9 101.0 15 29 A D S > S- 0 0 84 1,-0.3 3,-2.0 0, 0.0 -1,-0.2 -0.194 94.6-128.0-115.5 41.3 37.0 46.0 102.0 16 30 A G G > S+ 0 0 30 -3,-0.3 3,-1.0 1,-0.3 -1,-0.3 -0.283 87.8 1.7 54.5-125.9 38.4 42.9 100.1 17 31 A D G > S+ 0 0 126 1,-0.2 3,-1.8 2,-0.1 -1,-0.3 0.493 107.2 101.5 -70.0 -2.6 40.4 40.6 102.5 18 32 A G G X + 0 0 20 -3,-2.0 3,-1.3 1,-0.3 4,-0.3 0.747 64.6 71.2 -52.7 -30.3 39.6 43.0 105.4 19 33 A W G X> S+ 0 0 26 -3,-1.0 3,-1.3 1,-0.2 4,-1.3 0.703 78.3 76.8 -62.8 -24.2 36.8 40.7 106.7 20 34 A T G <4 S+ 0 0 75 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.775 93.3 52.3 -60.4 -28.2 39.4 38.1 108.0 21 35 A S G <4 S+ 0 0 102 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.642 111.2 47.2 -77.5 -21.8 40.2 40.4 111.0 22 36 A R T <4 S+ 0 0 90 -3,-1.3 44,-0.6 -4,-0.3 2,-0.4 0.644 107.9 57.8 -98.1 -15.6 36.4 40.6 111.9 23 37 A W E < -H 65 0B 9 -4,-1.3 2,-0.4 42,-0.2 42,-0.2 -0.907 66.6-154.4-121.0 144.7 35.5 37.0 111.7 24 38 A I E -H 64 0B 65 40,-3.0 40,-2.0 -2,-0.4 2,-0.4 -0.967 11.0-137.4-122.5 131.4 36.9 34.0 113.6 25 39 A E E -H 63 0B 85 -2,-0.4 38,-0.2 38,-0.2 2,-0.2 -0.681 26.9-120.8 -85.7 136.1 37.0 30.4 112.5 26 40 A S - 0 0 4 36,-2.6 81,-0.2 -2,-0.4 80,-0.2 -0.475 15.9-162.8 -72.5 146.2 36.2 27.9 115.2 27 41 A K + 0 0 141 79,-3.1 80,-0.2 -2,-0.2 -1,-0.1 0.142 59.3 113.0-114.3 18.9 38.8 25.3 116.0 28 42 A H S S+ 0 0 72 80,-0.4 2,-0.3 34,-0.1 -1,-0.1 0.855 90.5 21.4 -56.7 -38.9 36.3 23.0 117.9 29 43 A K S S- 0 0 97 -3,-0.2 3,-0.4 1,-0.0 0, 0.0 -0.855 73.2-140.3-124.8 156.8 36.9 20.5 115.1 30 44 A S S S+ 0 0 132 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.0 0.493 95.9 60.1 -97.9 -1.2 39.8 20.4 112.7 31 45 A D + 0 0 89 2,-0.0 29,-0.3 -4,-0.0 -1,-0.2 -0.003 67.9 137.9-117.7 27.9 37.7 19.5 109.6 32 46 A F - 0 0 29 -3,-0.4 29,-0.2 -6,-0.2 2,-0.1 -0.422 57.4-104.5 -72.4 150.2 35.3 22.5 109.3 33 47 A G - 0 0 2 27,-3.2 2,-0.5 23,-0.1 29,-0.4 -0.334 32.3-114.5 -72.4 156.0 34.6 23.9 105.8 34 48 A K - 0 0 114 27,-0.1 21,-1.5 -2,-0.1 2,-0.4 -0.796 15.0-145.5 -94.6 131.2 36.2 27.1 104.6 35 49 A F E -B 54 0A 8 -2,-0.5 2,-0.3 19,-0.2 19,-0.2 -0.747 20.8-165.8 -86.2 141.2 34.2 30.2 103.8 36 50 A V E -B 53 0A 38 17,-2.1 17,-3.1 -2,-0.4 2,-0.6 -0.950 25.0-110.9-124.5 150.4 35.7 32.2 100.8 37 51 A L E +B 52 0A 37 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.680 58.7 135.5 -83.9 121.3 34.9 35.8 99.7 38 52 A S E -B 51 0A 31 13,-2.4 13,-2.1 -2,-0.6 3,-0.1 -0.987 54.7-146.8-160.0 155.7 33.1 35.7 96.4 39 53 A S - 0 0 5 -2,-0.3 3,-0.3 1,-0.3 11,-0.1 0.315 55.3-134.3-105.7 7.0 30.2 37.2 94.4 40 54 A G - 0 0 19 1,-0.2 -1,-0.3 11,-0.1 3,-0.1 -0.194 38.3 -49.1 76.1-169.5 29.6 33.9 92.6 41 55 A K S S+ 0 0 161 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.722 125.9 21.3 -77.3 -26.5 29.0 33.2 88.9 42 56 A F S S+ 0 0 7 -3,-0.3 2,-0.3 3,-0.0 -1,-0.2 -0.978 74.7 157.2-142.7 146.9 26.2 35.8 88.4 43 57 A Y - 0 0 49 -2,-0.3 3,-0.2 197,-0.2 201,-0.2 -0.962 50.6-114.4-161.2 168.4 25.5 38.9 90.5 44 58 A G S S+ 0 0 22 1,-0.4 2,-0.4 -2,-0.3 -1,-0.1 0.923 108.9 1.6 -77.2 -46.9 23.9 42.3 90.6 45 59 A D > - 0 0 69 1,-0.1 4,-2.7 -3,-0.1 -1,-0.4 -0.983 69.7-136.7-145.1 125.5 27.3 44.0 91.0 46 60 A E T 4 S+ 0 0 118 -2,-0.4 -1,-0.1 1,-0.2 -7,-0.1 0.792 104.1 33.4 -52.5 -37.1 30.6 42.1 91.1 47 61 A E T >4 S+ 0 0 86 2,-0.1 3,-1.4 1,-0.1 -1,-0.2 0.903 118.9 47.1 -89.0 -48.7 31.9 44.1 94.0 48 62 A K T 34 S+ 0 0 108 1,-0.2 -2,-0.2 -9,-0.0 -1,-0.1 0.861 108.7 57.5 -61.9 -34.9 28.8 44.9 96.1 49 63 A D T 3< S+ 0 0 12 -4,-2.7 2,-0.3 166,-0.1 -1,-0.2 0.302 75.0 123.3 -84.8 12.6 27.6 41.3 95.9 50 64 A K < + 0 0 45 -3,-1.4 -11,-0.3 -37,-0.1 2,-0.2 -0.524 34.0 144.6 -69.5 133.1 30.8 39.8 97.4 51 65 A G E -B 38 0A 0 -13,-2.1 -13,-2.4 -2,-0.3 2,-0.6 -0.848 55.4 -62.0-151.7-172.4 29.9 37.8 100.5 52 66 A L E -BC 37 214A 0 162,-2.1 162,-2.6 -2,-0.2 2,-0.4 -0.754 51.7-166.5 -85.2 120.3 31.0 34.7 102.4 53 67 A Q E -BC 36 213A 30 -17,-3.1 -17,-2.1 -2,-0.6 2,-0.2 -0.900 23.5-123.5-112.3 133.6 30.5 31.6 100.3 54 68 A T E -B 35 0A 1 158,-2.1 157,-0.3 -2,-0.4 -19,-0.2 -0.570 30.7-177.4 -71.0 131.6 30.6 27.9 101.6 55 69 A S + 0 0 50 -21,-1.5 2,-0.4 -2,-0.2 -1,-0.1 0.495 53.1 63.1-114.3 -4.3 33.4 26.3 99.5 56 70 A Q S S- 0 0 65 -22,-0.2 3,-0.3 3,-0.0 151,-0.1 -0.988 73.6-129.0-129.7 128.0 33.4 22.7 100.5 57 71 A D S S+ 0 0 98 -2,-0.4 152,-0.2 1,-0.2 151,-0.2 -0.351 84.7 15.8 -70.2 155.4 30.7 20.1 100.1 58 72 A A S S+ 0 0 54 150,-1.9 2,-0.3 149,-0.3 150,-0.2 0.934 97.0 126.5 48.8 58.4 29.5 17.9 103.0 59 73 A R E - I 0 207B 80 148,-1.7 148,-1.9 -3,-0.3 2,-0.3 -0.989 60.7-122.5-139.4 154.3 31.0 20.0 105.8 60 74 A F E - I 0 206B 106 -2,-0.3 -27,-3.2 -29,-0.3 2,-0.4 -0.713 29.4-150.4 -89.7 146.8 30.1 21.7 108.9 61 75 A Y E + I 0 205B 1 144,-3.0 144,-1.6 -2,-0.3 2,-0.2 -0.919 18.8 175.3-119.0 142.6 30.8 25.5 109.0 62 76 A A E + I 0 204B 5 -29,-0.4 -36,-2.6 -2,-0.4 2,-0.4 -0.684 20.2 141.2-153.0 88.9 31.7 27.5 112.1 63 77 A L E +HI 25 203B 5 140,-2.0 140,-3.1 -38,-0.2 2,-0.3 -0.995 22.1 179.6-132.5 136.3 32.6 31.2 111.5 64 78 A S E -HI 24 202B 0 -40,-2.0 -40,-3.0 -2,-0.4 2,-0.4 -0.970 20.8-147.6-143.4 159.5 31.5 34.0 113.8 65 79 A A E -HI 23 201B 0 136,-2.8 136,-2.8 -2,-0.3 2,-0.2 -0.990 15.0-150.0-127.6 127.0 31.8 37.8 114.3 66 80 A S E - I 0 200B 58 -44,-0.6 2,-0.3 -2,-0.4 134,-0.2 -0.608 15.8-179.4 -91.3 160.3 31.9 39.6 117.6 67 81 A F E - 0 0 20 132,-2.2 -58,-0.1 -2,-0.2 3,-0.1 -0.941 47.4 -68.3-148.3 163.8 30.5 43.1 118.2 68 82 A E E S- 0 0 176 -2,-0.3 130,-0.1 -60,-0.2 132,-0.0 -0.405 70.3-106.2 -56.8 124.9 30.3 45.5 121.2 69 83 A P E + 0 0 52 0, 0.0 2,-0.3 0, 0.0 130,-0.2 -0.200 45.8 174.7 -61.8 149.6 27.7 43.7 123.5 70 84 A F E - I 0 198B 22 128,-1.9 128,-1.8 -3,-0.1 2,-0.4 -0.963 25.1-133.9-147.6 164.4 24.1 44.9 123.8 71 85 A S - 0 0 42 -2,-0.3 125,-0.2 126,-0.2 126,-0.1 -0.946 5.8-152.5-118.2 145.1 20.7 44.0 125.4 72 86 A N > + 0 0 0 123,-0.9 3,-2.6 -2,-0.4 124,-0.1 0.421 49.3 138.7 -93.1 4.2 17.4 44.3 123.6 73 87 A K T 3 S+ 0 0 132 122,-0.6 -2,-0.1 1,-0.3 3,-0.1 -0.207 82.5 0.8 -52.1 125.8 15.6 44.9 126.9 74 88 A G T 3 S+ 0 0 54 1,-0.2 2,-0.3 90,-0.1 -1,-0.3 0.658 122.3 94.0 67.6 16.6 12.9 47.6 126.3 75 89 A Q S < S- 0 0 74 -3,-2.6 2,-0.3 88,-0.0 -1,-0.2 -0.912 79.2-111.3-132.7 161.5 14.0 47.8 122.6 76 90 A T - 0 0 27 145,-0.6 2,-0.4 -2,-0.3 87,-0.2 -0.662 32.1-151.9 -85.7 146.6 13.1 46.4 119.2 77 91 A L E -D 162 0A 1 85,-2.9 85,-3.1 -2,-0.3 2,-0.4 -0.998 11.7-173.0-123.8 131.8 15.7 43.9 117.8 78 92 A V E -DE 161 220A 0 142,-2.8 142,-2.2 -2,-0.4 2,-0.5 -0.993 3.4-174.7-123.3 125.6 16.1 43.4 114.1 79 93 A V E +DE 160 219A 1 81,-2.3 81,-2.6 -2,-0.4 2,-0.3 -0.990 17.8 166.1-119.8 128.0 18.4 40.7 112.6 80 94 A Q E +DE 159 218A 0 138,-2.5 138,-2.7 -2,-0.5 2,-0.3 -0.981 7.9 147.8-143.7 148.2 18.8 40.7 108.8 81 95 A F E -D 158 0A 0 77,-1.7 77,-2.8 -2,-0.3 2,-0.3 -0.963 38.2-111.3-167.6 165.4 21.0 39.2 106.2 82 96 A T E -DE 157 215A 3 133,-3.1 133,-1.8 -2,-0.3 2,-0.4 -0.867 23.6-166.8-108.2 151.3 20.9 38.0 102.6 83 97 A V E -DE 156 214A 2 73,-2.1 73,-2.3 -2,-0.3 2,-0.5 -0.998 2.2-171.5-134.1 130.0 21.4 34.3 101.6 84 98 A K E -DE 155 213A 7 129,-2.3 129,-2.9 -2,-0.4 2,-1.5 -0.954 9.8-165.7-127.5 108.0 22.0 33.2 98.0 85 99 A H E > + E 0 212A 7 69,-0.6 3,-2.0 67,-0.5 4,-0.4 -0.521 22.8 164.4 -89.7 68.0 21.9 29.4 97.3 86 100 A E T 3 + 0 0 30 -2,-1.5 -1,-0.2 125,-0.5 67,-0.1 0.712 65.5 65.1 -56.9 -26.6 23.6 29.8 93.9 87 101 A Q T 3 S- 0 0 29 -3,-0.2 -1,-0.3 122,-0.1 66,-0.1 0.528 112.8-111.7 -76.9 -9.7 24.4 26.1 93.8 88 102 A N < - 0 0 80 -3,-2.0 -2,-0.1 64,-0.2 65,-0.1 0.965 48.3-130.9 66.0 72.8 20.7 25.0 93.6 89 103 A I - 0 0 18 -4,-0.4 3,-0.1 63,-0.2 121,-0.1 -0.324 33.8-174.6 -67.0 140.8 21.0 23.5 97.1 90 104 A D S S- 0 0 74 1,-0.3 34,-2.8 119,-0.2 2,-0.4 0.835 77.5 -4.2 -94.2 -53.6 19.9 20.0 98.0 91 105 A a E S+J 123 0B 22 32,-0.3 117,-3.0 118,-0.1 -1,-0.3 -0.972 86.2 110.1-145.8 124.6 20.5 20.1 101.8 92 106 A G E -JK 122 207B 1 30,-3.1 30,-1.9 -2,-0.4 115,-0.3 -0.828 52.9-102.6 172.0 150.6 22.0 22.8 103.9 93 107 A G E +J 121 0B 1 113,-2.5 28,-0.2 -2,-0.2 112,-0.1 -0.412 21.7 175.1 -79.9 158.9 21.6 25.5 106.4 94 108 A G + 0 0 0 26,-1.9 2,-0.2 -2,-0.1 27,-0.2 0.056 45.7 113.5-150.2 26.4 21.4 29.2 105.7 95 109 A Y - 0 0 36 24,-0.3 109,-0.4 25,-0.1 2,-0.3 -0.594 52.9-136.9-105.3 162.7 20.6 30.6 109.2 96 110 A V E -L 118 0B 1 22,-2.8 22,-2.7 -2,-0.2 2,-0.4 -0.805 8.4-147.0-112.2 161.3 22.4 32.7 111.7 97 111 A K E -LM 117 202B 11 105,-2.2 105,-2.9 -2,-0.3 2,-0.6 -0.973 5.8-149.5-127.4 136.4 22.8 32.3 115.5 98 112 A L E -LM 116 201B 1 18,-3.3 17,-3.3 -2,-0.4 18,-1.5 -0.952 24.2-170.8-109.3 120.5 23.0 35.3 117.9 99 113 A F E - 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