==== 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 3O0V . COMPND 2 MOLECULE: CALRETICULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR G.KOZLOV,K.GEHRING . 251 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11570.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 65.7 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 . 90 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 . 21 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 10.4 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 0 3 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 15 A G > 0 0 84 0, 0.0 3,-1.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.4 -15.1 -7.0 -34.6 2 16 A S T 3 + 0 0 140 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.729 360.0 41.3 -64.5 -25.8 -11.6 -8.7 -34.6 3 17 A M T 3 S+ 0 0 180 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.250 89.2 115.2-109.5 12.4 -9.8 -5.5 -33.7 4 18 A D < - 0 0 112 -3,-1.3 2,-0.2 1,-0.1 3,-0.0 -0.610 65.9-122.9 -77.0 137.8 -12.4 -4.3 -31.1 5 19 A P - 0 0 30 0, 0.0 2,-0.6 0, 0.0 -2,-0.1 -0.503 28.1-108.2 -70.8 149.0 -11.3 -4.1 -27.4 6 20 A A - 0 0 36 -2,-0.2 217,-1.4 1,-0.0 2,-0.7 -0.750 33.1-162.0 -75.6 118.3 -13.2 -6.0 -24.8 7 21 A I E +A 222 0A 75 -2,-0.6 215,-0.2 215,-0.2 3,-0.1 -0.905 15.1 175.0-106.5 101.7 -15.2 -3.4 -22.9 8 22 A Y E S+ 0 0 40 213,-1.7 2,-0.3 -2,-0.7 60,-0.3 0.821 70.7 2.5 -76.9 -34.1 -16.3 -5.1 -19.6 9 23 A F E +A 221 0A 18 212,-1.6 212,-2.6 58,-0.1 2,-0.3 -0.970 62.3 170.9-155.4 137.8 -17.8 -1.9 -18.1 10 24 A K E +A 220 0A 75 -2,-0.3 2,-0.3 210,-0.2 210,-0.2 -0.961 2.2 172.6-149.1 134.7 -18.3 1.6 -19.3 11 25 A E E +A 219 0A 8 208,-1.8 208,-2.0 -2,-0.3 207,-0.1 -0.935 16.6 153.7-147.2 121.3 -20.2 4.5 -17.7 12 26 A Q - 0 0 48 -2,-0.3 38,-0.1 206,-0.2 -1,-0.1 0.355 51.6-126.7-124.6 -0.8 -20.3 8.1 -18.8 13 27 A F + 0 0 4 1,-0.1 3,-0.3 2,-0.1 37,-0.1 0.934 56.8 146.9 52.9 55.7 -23.8 9.1 -17.5 14 28 A L + 0 0 106 1,-0.2 -1,-0.1 35,-0.1 3,-0.1 0.519 53.7 64.1 -97.7 -7.0 -25.0 10.4 -20.8 15 29 A D S > S- 0 0 79 1,-0.3 3,-0.8 0, 0.0 -1,-0.2 -0.222 99.4-111.2-119.6 42.3 -28.7 9.5 -20.6 16 30 A G G > S- 0 0 37 -3,-0.3 3,-0.7 1,-0.2 -1,-0.3 -0.351 80.3 -18.5 69.8-144.9 -30.1 11.6 -17.7 17 31 A D G > S+ 0 0 127 1,-0.2 3,-0.7 2,-0.1 -1,-0.2 -0.007 103.8 104.4 -90.7 31.1 -31.3 9.8 -14.5 18 32 A A G X + 0 0 30 -3,-0.8 3,-1.3 1,-0.2 -1,-0.2 0.501 60.2 83.5 -80.6 -7.2 -31.5 6.4 -16.2 19 33 A W G X> S+ 0 0 13 -3,-0.7 3,-1.9 1,-0.2 4,-1.8 0.742 73.0 74.0 -65.7 -24.5 -28.2 5.6 -14.4 20 34 A T G <4 S+ 0 0 70 -3,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.676 89.2 59.9 -64.2 -18.1 -30.4 4.7 -11.4 21 35 A N G <4 S+ 0 0 142 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.578 112.1 38.2 -80.2 -12.5 -31.2 1.5 -13.3 22 36 A R T <4 S+ 0 0 92 -3,-1.9 44,-0.6 -4,-0.2 2,-0.4 0.654 107.9 63.6-111.7 -26.8 -27.5 0.5 -13.4 23 37 A W E < -H 65 0B 9 -4,-1.8 2,-0.5 42,-0.2 42,-0.2 -0.882 68.4-148.1-109.2 137.1 -26.2 1.6 -10.0 24 38 A V E -H 64 0B 52 40,-3.3 40,-1.5 -2,-0.4 2,-0.4 -0.913 8.6-139.1-111.1 121.6 -27.4 0.1 -6.7 25 39 A E E -H 63 0B 79 -2,-0.5 38,-0.2 38,-0.2 2,-0.2 -0.628 26.8-122.9 -72.6 127.2 -27.6 2.0 -3.4 26 40 A S - 0 0 6 36,-2.5 80,-0.2 -2,-0.4 81,-0.2 -0.520 16.3-161.9 -73.1 140.1 -26.4 -0.1 -0.5 27 41 A K + 0 0 133 79,-2.3 80,-0.2 -2,-0.2 -1,-0.1 0.319 61.3 108.6-103.3 3.6 -28.9 -0.5 2.4 28 42 A H S S+ 0 0 88 78,-0.4 2,-0.3 80,-0.3 -1,-0.1 0.892 87.6 29.3 -49.2 -51.0 -26.3 -1.6 5.0 29 43 A K S > S- 0 0 103 -3,-0.2 3,-0.5 1,-0.1 -1,-0.0 -0.856 72.8-142.9-108.8 150.7 -26.7 1.7 6.8 30 44 A S T 3 S+ 0 0 133 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.606 96.4 49.9 -83.9 -14.6 -29.8 3.9 6.8 31 45 A D T 3 + 0 0 90 2,-0.0 29,-0.3 -4,-0.0 -1,-0.2 -0.127 69.9 146.3-124.7 36.5 -27.9 7.2 6.7 32 46 A F < - 0 0 31 -3,-0.5 29,-0.2 -6,-0.2 2,-0.2 -0.272 56.2-100.3 -57.3 156.4 -25.4 6.9 3.8 33 47 A G - 0 0 8 27,-3.5 2,-0.5 23,-0.1 29,-0.4 -0.501 40.0-109.5 -77.3 157.2 -24.8 10.1 1.9 34 48 A K - 0 0 98 -2,-0.2 21,-1.9 27,-0.1 2,-0.3 -0.780 17.3-143.3 -98.3 125.5 -26.6 10.6 -1.4 35 49 A F E -B 54 0A 11 -2,-0.5 2,-0.3 19,-0.2 19,-0.2 -0.634 23.0-166.3 -75.0 142.9 -24.9 10.5 -4.9 36 50 A V E -B 53 0A 62 17,-2.0 17,-3.2 -2,-0.3 2,-0.7 -0.986 26.9-112.9-136.5 139.2 -26.4 13.0 -7.3 37 51 A L E +B 52 0A 48 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.652 56.6 155.3 -73.6 114.5 -26.1 13.5 -11.1 38 52 A S E -B 51 0A 24 13,-2.9 13,-3.1 -2,-0.7 -2,-0.0 -0.995 48.9-163.8-149.4 151.1 -24.2 16.7 -11.5 39 53 A S - 0 0 6 -2,-0.3 3,-0.1 11,-0.3 5,-0.1 0.450 53.8-135.2-107.1 -12.7 -21.9 18.6 -13.9 40 54 A G - 0 0 25 1,-0.2 -1,-0.3 11,-0.1 3,-0.1 -0.293 30.7 -60.2 92.1-171.9 -20.7 21.0 -11.1 41 55 A K S S+ 0 0 157 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.855 124.8 21.6 -79.3 -41.1 -20.2 24.8 -10.8 42 56 A F S S+ 0 0 9 -3,-0.1 2,-0.3 3,-0.0 -1,-0.2 -0.950 78.2 157.5-127.8 151.0 -17.6 24.8 -13.6 43 57 A Y - 0 0 55 -2,-0.3 203,-0.2 199,-0.2 3,-0.2 -0.956 49.4-117.7-161.1 168.0 -17.2 22.2 -16.4 44 58 A G S S+ 0 0 21 1,-0.4 2,-0.4 -2,-0.3 -1,-0.1 0.909 106.3 2.0 -79.5 -52.0 -15.8 21.5 -19.9 45 59 A D > - 0 0 67 1,-0.1 4,-2.2 -3,-0.1 -1,-0.4 -0.996 69.7-134.5-138.9 132.2 -19.3 20.6 -21.2 46 60 A L T 4 S+ 0 0 79 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.856 104.8 28.0 -53.6 -43.3 -22.5 20.9 -19.3 47 61 A E T >4 S+ 0 0 116 2,-0.1 3,-1.1 1,-0.1 -1,-0.2 0.874 119.5 52.2 -89.6 -41.4 -23.9 17.5 -20.4 48 62 A K T 34 S+ 0 0 123 1,-0.2 -2,-0.2 -9,-0.0 -1,-0.1 0.848 108.8 51.6 -63.9 -36.4 -20.7 15.5 -21.1 49 63 A D T 3< S+ 0 0 15 -4,-2.2 2,-0.3 168,-0.1 -1,-0.2 0.234 76.9 124.7 -94.2 13.2 -19.2 16.2 -17.7 50 64 A K < + 0 0 37 -3,-1.1 -11,-0.3 -37,-0.1 2,-0.2 -0.574 34.8 147.1 -64.0 129.5 -22.3 15.1 -15.7 51 65 A G E -B 38 0A 0 -13,-3.1 -13,-2.9 -2,-0.3 2,-0.6 -0.840 54.2 -60.6-146.7-170.9 -21.2 12.5 -13.2 52 66 A L E -BC 37 216A 0 164,-2.1 164,-2.3 -2,-0.2 2,-0.4 -0.722 52.8-168.0 -82.1 118.5 -21.9 11.1 -9.7 53 67 A Q E -BC 36 215A 30 -17,-3.2 -17,-2.0 -2,-0.6 2,-0.4 -0.921 25.4-123.5-111.6 131.5 -21.4 13.8 -7.1 54 68 A T E -B 35 0A 0 160,-2.0 159,-0.5 -2,-0.4 -19,-0.2 -0.614 29.8-174.0 -66.6 121.1 -21.3 13.3 -3.3 55 69 A S + 0 0 55 -21,-1.9 2,-0.4 -2,-0.4 -1,-0.1 0.487 54.1 62.0-103.4 -5.3 -24.0 15.7 -2.1 56 70 A Q S S- 0 0 69 -22,-0.2 3,-0.3 3,-0.0 153,-0.1 -0.983 72.7-126.3-137.2 130.1 -23.6 15.5 1.7 57 71 A D S S+ 0 0 102 -2,-0.4 154,-0.2 1,-0.2 153,-0.2 -0.312 86.2 13.0 -70.3 147.8 -20.9 16.4 4.1 58 72 A A S S+ 0 0 54 152,-2.2 2,-0.3 151,-0.3 152,-0.2 0.943 96.7 127.0 53.8 59.9 -19.5 14.0 6.7 59 73 A R E - I 0 209B 74 150,-1.7 150,-1.8 -3,-0.3 2,-0.3 -0.984 59.9-119.8-143.6 150.0 -21.1 10.8 5.3 60 74 A F E - I 0 208B 94 -2,-0.3 -27,-3.5 -29,-0.3 2,-0.4 -0.662 29.6-150.1 -81.1 148.6 -20.3 7.3 4.2 61 75 A Y E + I 0 207B 0 146,-3.2 146,-1.5 -2,-0.3 2,-0.2 -0.968 18.7 174.3-124.2 138.9 -21.0 6.5 0.5 62 76 A A E + I 0 206B 7 -29,-0.4 -36,-2.5 -2,-0.4 2,-0.4 -0.696 19.2 139.6-150.1 90.3 -22.0 3.1 -0.8 63 77 A L E -HI 25 205B 3 142,-1.9 142,-3.8 -38,-0.2 2,-0.3 -0.987 21.2-179.7-133.3 141.6 -23.0 2.8 -4.5 64 78 A S E -HI 24 204B 0 -40,-1.5 -40,-3.3 -2,-0.4 2,-0.4 -0.989 18.0-149.4-145.4 151.2 -22.1 -0.0 -6.9 65 79 A A E -HI 23 203B 0 138,-2.5 138,-2.5 -2,-0.3 2,-0.2 -0.987 14.6-151.2-124.1 126.3 -22.6 -1.1 -10.5 66 80 A K E + I 0 202B 137 -44,-0.6 2,-0.3 -2,-0.4 136,-0.2 -0.585 16.4 176.8 -91.3 157.3 -22.6 -4.7 -11.7 67 81 A F E - 0 0 20 134,-2.3 -58,-0.1 -2,-0.2 3,-0.1 -0.916 47.7 -60.3-148.3 169.9 -21.6 -5.9 -15.2 68 82 A E E - 0 0 167 -60,-0.3 132,-0.1 -2,-0.3 134,-0.0 -0.407 68.4-110.4 -57.5 120.2 -21.2 -9.3 -17.0 69 83 A P E + 0 0 81 0, 0.0 2,-0.3 0, 0.0 132,-0.2 -0.165 45.5 170.2 -56.6 146.7 -18.6 -11.2 -15.0 70 84 A F E - I 0 200B 23 130,-1.6 130,-2.2 -3,-0.1 2,-0.4 -0.966 27.7-130.1-150.1 163.2 -15.2 -11.9 -16.5 71 85 A S - 0 0 45 -2,-0.3 127,-0.2 128,-0.2 128,-0.1 -0.932 6.5-150.0-116.7 145.2 -11.7 -13.2 -15.6 72 86 A N > + 0 0 0 125,-0.8 3,-1.6 -2,-0.4 2,-0.2 0.305 52.9 131.3 -94.7 8.4 -8.4 -11.3 -16.3 73 87 A K T 3 S+ 0 0 115 124,-0.4 -2,-0.1 1,-0.2 3,-0.1 -0.448 77.1 9.9 -66.8 127.0 -6.4 -14.6 -16.6 74 88 A G T 3 S+ 0 0 62 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.351 123.5 65.2 86.9 -4.8 -4.3 -14.6 -19.8 75 89 A Q S < S- 0 0 71 -3,-1.6 -1,-0.2 88,-0.1 2,-0.1 -0.915 85.9 -87.1-143.3 170.2 -4.9 -11.0 -20.6 76 90 A T - 0 0 26 147,-0.5 2,-0.4 -2,-0.3 87,-0.2 -0.438 30.4-150.9 -76.3 147.7 -4.4 -7.4 -19.5 77 91 A L E -D 162 0A 1 85,-3.1 85,-3.6 -2,-0.1 2,-0.4 -0.993 12.5-175.2-119.7 129.7 -6.7 -5.6 -17.1 78 92 A V E -DE 161 222A 0 144,-2.5 144,-2.0 -2,-0.4 2,-0.5 -0.994 4.7-170.9-126.0 126.9 -7.2 -1.8 -17.2 79 93 A V E +DE 160 221A 2 81,-2.6 81,-2.8 -2,-0.4 2,-0.3 -0.982 16.6 169.0-118.6 126.5 -9.3 0.2 -14.7 80 94 A Q E +DE 159 220A 1 140,-2.7 140,-3.2 -2,-0.5 2,-0.3 -0.982 8.3 141.4-142.8 145.0 -9.9 3.9 -15.5 81 95 A F E -D 158 0A 0 77,-1.6 77,-2.7 -2,-0.3 2,-0.3 -0.951 39.6-111.0-169.6 164.2 -12.1 6.8 -14.3 82 96 A T E -DE 157 217A 2 135,-2.7 135,-1.5 -2,-0.3 2,-0.4 -0.853 21.9-161.8-108.0 147.1 -11.9 10.5 -13.6 83 97 A V E -DE 156 216A 4 73,-2.4 73,-2.2 -2,-0.3 2,-0.5 -0.997 5.2-174.1-129.5 128.6 -12.1 12.2 -10.2 84 98 A K E -DE 155 215A 7 131,-2.2 131,-2.6 -2,-0.4 2,-1.4 -0.933 10.4-168.4-126.8 105.5 -12.9 15.8 -9.7 85 99 A H > + 0 0 6 69,-0.6 3,-2.1 -2,-0.5 4,-0.4 -0.494 20.8 165.5 -88.3 65.5 -12.6 17.2 -6.1 86 100 A E T 3 + 0 0 28 -2,-1.4 -1,-0.2 127,-0.5 128,-0.1 0.727 67.2 62.1 -53.1 -27.0 -14.4 20.5 -7.1 87 101 A Q T 3 S- 0 0 25 -3,-0.2 -1,-0.3 124,-0.1 66,-0.1 0.574 112.6-111.8 -78.5 -9.6 -14.9 21.3 -3.4 88 102 A N < - 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