==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM BINDING PROTEIN 14-AUG-89 1ALC . COMPND 2 MOLECULE: ALPHA-LACTALBUMIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PAPIO CYNOCEPHALUS; . AUTHOR K.R.ACHARYA,D.I.STUART,D.C.PHILLIPS . 122 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7164.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 74 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 0 0.0 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 . 4 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 17.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 4.1 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 0 0 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A K 0 0 107 0, 0.0 37,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 132.8 9.9 27.3 16.0 2 2 A Q B -A 37 0A 112 35,-0.2 35,-0.2 36,-0.1 2,-0.2 -0.896 360.0-147.7-103.4 134.6 10.4 27.0 12.2 3 3 A F - 0 0 19 33,-2.4 2,-0.3 -2,-0.4 3,-0.0 -0.552 9.5-128.1 -98.0 163.8 14.0 27.2 11.0 4 4 A T > - 0 0 78 -2,-0.2 4,-1.4 1,-0.1 5,-0.2 -0.684 36.9-104.1 -98.6 163.1 15.3 28.6 7.7 5 5 A K H > S+ 0 0 59 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.830 120.8 42.8 -54.3 -46.8 17.5 26.2 5.7 6 6 A a H > S+ 0 0 39 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.761 107.6 59.3 -74.3 -39.0 20.8 28.0 6.6 7 7 A E H > S+ 0 0 56 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.883 113.2 41.2 -61.7 -33.0 19.8 28.5 10.4 8 8 A L H X S+ 0 0 0 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.892 109.7 53.2 -80.1 -44.5 19.6 24.7 10.7 9 9 A S H < S+ 0 0 6 -4,-1.9 6,-0.2 1,-0.2 -2,-0.2 0.846 109.8 55.8 -59.0 -32.5 22.6 23.7 8.6 10 10 A Q H >< S+ 0 0 135 -4,-1.7 3,-1.0 1,-0.2 -1,-0.2 0.916 110.3 40.2 -61.0 -53.4 24.4 26.1 11.0 11 11 A N H 3< S+ 0 0 97 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.587 119.9 47.6 -73.7 -17.5 23.2 24.4 14.1 12 12 A L T >< S+ 0 0 2 -4,-1.5 3,-1.3 1,-0.1 4,-0.3 0.002 74.7 116.3-113.0 21.6 23.8 21.0 12.5 13 13 A Y G X S+ 0 0 132 -3,-1.0 3,-1.8 1,-0.3 2,-0.3 0.918 70.5 58.3 -57.7 -49.0 27.2 21.7 11.1 14 14 A D G 3 S+ 0 0 156 1,-0.3 -1,-0.3 -4,-0.2 -4,-0.1 0.079 92.9 71.9 -73.5 27.3 29.0 19.1 13.2 15 15 A I G X + 0 0 22 -3,-1.3 3,-2.3 -2,-0.3 -1,-0.3 0.529 65.9 116.1-113.7 -14.2 26.7 16.4 11.7 16 16 A D T < S+ 0 0 93 -3,-1.8 6,-0.2 -4,-0.3 3,-0.1 -0.342 89.9 7.5 -59.0 126.2 28.4 16.4 8.3 17 17 A G T > S+ 0 0 46 4,-3.7 3,-2.1 1,-0.3 2,-0.4 0.343 90.3 150.2 77.9 -3.6 30.0 13.0 7.5 18 18 A Y G X S- 0 0 68 -3,-2.3 3,-1.0 1,-0.3 -1,-0.3 -0.446 83.3 -5.3 -62.2 117.1 28.4 11.8 10.7 19 19 A G G 3 S- 0 0 60 -2,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.703 131.7 -61.6 61.7 19.8 27.9 8.1 9.9 20 20 A R G < S+ 0 0 238 -3,-2.1 2,-0.2 1,-0.3 -1,-0.2 0.573 102.9 143.5 73.0 29.6 29.1 8.8 6.4 21 21 A I < - 0 0 12 -3,-1.0 -4,-3.7 -6,-0.2 2,-0.4 -0.654 47.3-132.7 -91.0 148.8 26.1 11.2 5.9 22 22 A A > - 0 0 36 -2,-0.2 4,-1.8 -6,-0.2 3,-0.2 -0.852 14.2-131.8 -97.6 136.7 26.3 14.4 3.9 23 23 A L H > S+ 0 0 10 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.860 106.6 50.7 -53.4 -49.2 24.9 17.5 5.5 24 24 A P H > S+ 0 0 21 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.858 107.4 56.3 -60.1 -37.6 22.9 18.6 2.4 25 25 A E H > S+ 0 0 35 1,-0.2 4,-1.8 -3,-0.2 -2,-0.2 0.924 111.0 42.7 -55.1 -55.0 21.4 15.1 2.3 26 26 A L H X S+ 0 0 8 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.786 112.6 52.3 -66.6 -34.2 20.2 15.4 5.8 27 27 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.926 108.3 51.8 -67.0 -45.6 18.9 19.0 5.4 28 28 A b H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.918 110.2 51.0 -55.6 -46.6 16.9 17.9 2.3 29 29 A T H X S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.853 107.6 49.5 -59.8 -46.2 15.4 15.1 4.4 30 30 A M H X>S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 5,-1.3 0.875 106.6 59.1 -64.9 -36.0 14.3 17.4 7.3 31 31 A F H X5S+ 0 0 95 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.912 112.1 36.8 -56.7 -52.7 12.7 19.7 4.7 32 32 A H H <5S+ 0 0 80 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.723 118.0 56.7 -73.4 -22.6 10.4 17.0 3.4 33 33 A T H <5S- 0 0 36 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.2 0.901 137.7 -20.9 -77.6 -45.7 10.0 15.5 6.9 34 34 A S H ><5S- 0 0 21 -4,-2.9 3,-0.8 18,-0.1 -3,-0.2 0.303 81.0-113.1-145.9 -3.1 8.7 18.5 8.9 35 35 A G T 3< -BC 41 55B 22 5,-1.7 5,-2.0 -2,-0.4 4,-0.4 -0.891 33.9 -16.4-123.5 146.6 7.1 14.4 16.9 51 51 A G T > 5S- 0 0 0 -11,-2.2 3,-0.8 -2,-0.3 -12,-0.2 -0.014 98.7 -37.2 70.2-168.9 9.2 17.5 16.2 52 52 A L T 3 5S+ 0 0 0 28,-0.4 -16,-0.3 -14,-0.3 -1,-0.2 0.819 141.6 43.8 -60.1 -34.2 11.6 18.4 13.5 53 53 A F T 3 5S- 0 0 5 -3,-0.3 -1,-0.3 27,-0.2 -2,-0.2 0.517 99.6-137.3 -90.2 -10.6 12.9 14.9 13.3 54 54 A Q T < 5 - 0 0 12 -3,-0.8 2,-0.5 -4,-0.4 -3,-0.2 0.954 30.8-171.4 52.6 55.2 9.4 13.3 13.5 55 55 A I E < -C 50 0B 0 -5,-2.0 -5,-1.7 22,-0.1 -1,-0.2 -0.728 18.7-120.5 -87.4 128.8 10.7 10.7 15.9 56 56 A S E >>> -C 49 0B 12 -2,-0.5 4,-2.3 -7,-0.2 5,-0.9 -0.356 10.7-150.9 -73.4 141.5 8.1 8.0 16.5 57 57 A N T 345S+ 0 0 0 -9,-2.0 6,-0.3 1,-0.2 14,-0.2 0.334 89.8 81.1 -90.9 2.9 6.6 7.1 19.9 58 58 A A T 345S- 0 0 51 -10,-0.2 12,-0.5 11,-0.1 -1,-0.2 0.686 124.1 -12.8 -76.7 -18.7 6.2 3.6 18.7 59 59 A L T <45S+ 0 0 60 -3,-0.6 13,-2.5 10,-0.2 -2,-0.2 0.570 130.1 53.9-153.3 -31.2 9.9 3.0 19.5 60 60 A W T <5S+ 0 0 6 -4,-2.3 13,-2.5 11,-0.3 15,-0.4 0.856 105.2 18.8 -93.5 -39.5 11.9 6.1 20.2 61 61 A c S - 0 0 23 -2,-0.5 3,-2.1 3,-0.5 6,-0.2 -0.984 48.8-119.9-135.4 146.2 4.1 9.0 25.2 64 64 A S T 3 S+ 0 0 128 -2,-0.3 -2,-0.0 1,-0.3 -1,-0.0 0.654 111.1 70.4 -57.7 -18.0 1.0 8.0 27.1 65 65 A Q T 3 S+ 0 0 71 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.764 108.8 27.6 -72.3 -27.6 -0.3 7.0 23.7 66 66 A S X + 0 0 11 -3,-2.1 3,-1.8 1,-0.1 -3,-0.5 -0.729 64.3 171.4-141.8 81.3 2.0 3.9 23.4 67 67 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.769 78.4 62.3 -63.4 -27.3 2.8 2.6 26.9 68 68 A Q T 3 S+ 0 0 155 -3,-0.1 -10,-0.0 2,-0.0 -6,-0.0 0.301 76.6 133.7 -82.9 6.5 4.5 -0.4 25.4 69 69 A S < - 0 0 20 -3,-1.8 -10,-0.2 -6,-0.2 -11,-0.1 -0.289 59.8-137.8 -63.5 145.1 7.1 1.8 23.7 70 70 A R - 0 0 199 -12,-0.5 -1,-0.1 -9,-0.1 -11,-0.1 0.675 25.2-150.8 -76.0 -18.8 10.7 0.6 23.9 71 71 A N > + 0 0 24 -10,-0.4 3,-1.6 -14,-0.2 -11,-0.3 0.895 22.1 178.1 47.1 55.0 11.6 4.3 24.5 72 72 A I T 3 S+ 0 0 54 -13,-2.5 -12,-0.2 1,-0.3 -11,-0.1 0.827 77.7 49.0 -58.0 -37.8 15.1 3.7 22.9 73 73 A d T 3 S- 0 0 17 -13,-2.5 -1,-0.3 2,-0.1 -12,-0.1 0.535 105.9-134.2 -82.3 -1.3 16.1 7.4 23.3 74 74 A D < + 0 0 127 -3,-1.6 2,-0.3 -14,-0.3 -13,-0.1 0.887 63.4 110.2 50.8 54.8 14.9 7.2 26.9 75 75 A I S S- 0 0 31 -15,-0.4 -13,-2.4 16,-0.0 2,-0.3 -0.980 74.5 -98.9-153.5 156.1 13.0 10.4 26.9 76 76 A T B > -d 62 0C 46 -2,-0.3 3,-2.1 -15,-0.2 4,-0.2 -0.610 33.0-127.8 -76.7 136.5 9.5 11.8 27.0 77 77 A c G > S+ 0 0 4 -15,-2.0 3,-1.1 -2,-0.3 -1,-0.1 0.563 103.4 76.4 -57.4 -17.5 8.3 12.7 23.5 78 78 A D G > S+ 0 0 91 -16,-0.3 3,-1.5 1,-0.3 -1,-0.3 0.686 81.4 68.4 -67.2 -26.0 7.3 16.1 24.9 79 79 A K G X S+ 0 0 77 -3,-2.1 3,-0.7 1,-0.3 -1,-0.3 0.639 89.5 63.7 -67.0 -15.2 11.0 17.0 24.8 80 80 A F G < S+ 0 0 0 -3,-1.1 -28,-0.4 1,-0.2 -1,-0.3 0.320 95.6 61.0 -90.3 6.8 10.8 16.9 21.0 81 81 A L G < S+ 0 0 48 -3,-1.5 -1,-0.2 -30,-0.1 -2,-0.2 0.319 85.5 89.8-115.9 3.1 8.4 19.9 20.9 82 82 A D S < S- 0 0 55 -3,-0.7 -3,-0.0 2,-0.3 0, 0.0 -0.284 88.1-102.5 -95.6-178.7 10.5 22.6 22.6 83 83 A D S S+ 0 0 132 -2,-0.1 2,-0.6 1,-0.1 -3,-0.1 0.254 98.8 86.2 -90.6 16.0 12.8 25.2 21.1 84 84 A D - 0 0 82 -5,-0.2 4,-0.4 1,-0.1 3,-0.3 -0.954 51.6-179.1-115.7 104.3 15.9 23.3 22.1 85 85 A I > + 0 0 13 -2,-0.6 4,-2.5 1,-0.2 5,-0.1 0.230 58.6 99.1 -85.5 11.2 16.8 20.8 19.4 86 86 A T H > S+ 0 0 84 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.968 86.7 39.6 -58.7 -60.3 19.8 19.5 21.4 87 87 A D H > S+ 0 0 36 -3,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.874 113.8 56.7 -54.8 -43.0 18.0 16.5 22.9 88 88 A D H > S+ 0 0 0 -4,-0.4 4,-3.0 -9,-0.3 -1,-0.2 0.915 106.6 49.8 -51.0 -51.0 16.3 15.9 19.5 89 89 A I H X S+ 0 0 28 -4,-2.5 4,-2.2 2,-0.2 -1,-0.3 0.839 107.5 52.8 -60.0 -40.3 19.7 15.8 17.9 90 90 A M H X S+ 0 0 102 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.913 111.5 46.9 -65.2 -40.2 21.0 13.2 20.5 91 91 A d H X S+ 0 0 5 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.923 110.4 53.2 -63.6 -43.3 18.0 11.1 19.7 92 92 A A H X S+ 0 0 8 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.856 106.6 51.9 -56.9 -41.6 18.6 11.5 15.9 93 93 A K H X S+ 0 0 63 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.891 108.3 52.7 -61.6 -42.6 22.2 10.4 16.4 94 94 A K H X S+ 0 0 92 -4,-1.8 4,-2.3 2,-0.2 5,-0.4 0.926 109.5 48.0 -59.7 -47.1 20.9 7.3 18.2 95 95 A I H X>S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-2.2 0.948 112.1 49.5 -60.2 -46.4 18.6 6.6 15.2 96 96 A L H <5S+ 0 0 29 -4,-2.6 -1,-0.2 3,-0.2 -2,-0.2 0.875 112.0 48.7 -60.2 -39.9 21.4 7.0 12.8 97 97 A D H <5S+ 0 0 103 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.820 126.8 24.1 -67.2 -41.8 23.7 4.7 14.8 98 98 A I H <5S+ 0 0 113 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.881 139.1 16.7 -92.6 -52.2 21.1 1.9 15.1 99 99 A K T <5S- 0 0 103 -4,-2.7 -3,-0.2 -5,-0.4 3,-0.2 0.889 93.7-135.9 -89.2 -51.9 18.7 2.3 12.2 100 100 A G > < - 0 0 21 -5,-2.2 3,-1.8 1,-0.1 4,-0.2 -0.316 40.4 -60.8 107.8 169.2 20.4 4.5 9.7 101 101 A I G > S+ 0 0 22 1,-0.3 3,-1.7 -5,-0.2 6,-0.3 0.601 119.6 79.8 -60.5 -18.2 19.1 7.5 7.6 102 102 A D G 3 + 0 0 89 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.507 68.1 85.2 -73.0 -1.2 16.5 5.2 5.9 103 103 A Y G < S+ 0 0 43 -3,-1.8 2,-0.8 1,-0.2 -1,-0.3 0.900 86.9 64.6 -58.9 -36.9 14.5 5.7 9.1 104 104 A W S X> S- 0 0 7 -3,-1.7 3,-1.6 -4,-0.2 4,-0.5 -0.789 75.5-160.1 -95.0 109.6 13.5 8.8 7.1 105 105 A I H 3> S+ 0 0 128 -2,-0.8 4,-1.5 1,-0.3 -1,-0.1 0.670 85.3 68.6 -58.7 -26.3 11.6 8.0 3.9 106 106 A A H 3>>S+ 0 0 11 1,-0.2 4,-2.6 -77,-0.2 5,-0.9 0.730 89.0 69.3 -67.4 -24.0 12.3 11.3 2.3 107 107 A H H <>5S+ 0 0 14 -3,-1.6 4,-1.9 -6,-0.3 -1,-0.2 0.972 107.3 31.3 -57.2 -63.2 16.0 10.4 2.0 108 108 A K H <5S+ 0 0 118 -4,-0.5 -1,-0.2 2,-0.2 -2,-0.2 0.859 120.9 57.9 -63.3 -38.2 15.7 7.6 -0.6 109 109 A A H <5S- 0 0 62 -4,-1.5 -2,-0.2 1,-0.1 -3,-0.2 0.979 132.9 -14.6 -57.5 -70.9 12.8 9.4 -2.1 110 110 A L H <5S+ 0 0 99 -4,-2.6 3,-0.3 1,-0.1 2,-0.3 0.395 114.2 80.6-121.7 -0.5 14.2 12.8 -3.0 111 111 A b S < + 0 0 38 1,-0.2 3,-0.7 2,-0.1 -1,-0.1 0.250 55.6 97.0 -87.0 7.0 21.7 18.2 -2.9 116 116 A E G > S+ 0 0 153 1,-0.2 3,-2.5 2,-0.2 -1,-0.2 0.977 71.2 59.0 -58.8 -59.4 23.1 21.4 -4.3 117 117 A Q G 3 S+ 0 0 99 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.602 98.1 67.9 -47.0 -14.5 20.0 23.4 -3.4 118 118 A W G < S+ 0 0 11 -3,-0.7 -1,-0.3 2,-0.0 2,-0.2 0.277 78.3 97.1 -96.6 10.4 20.7 22.3 0.1 119 119 A L < + 0 0 106 -3,-2.5 2,-0.3 -92,-0.0 -113,-0.1 -0.671 44.1 169.6 -99.3 157.9 23.9 24.3 0.8 120 120 A a + 0 0 27 -2,-0.2 -2,-0.0 -114,-0.1 -3,-0.0 -0.971 19.2 148.1-150.0 160.0 24.2 27.6 2.5 121 121 A E 0 0 133 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.0 0.671 360.0 360.0-166.9 6.0 26.9 30.0 4.0 122 122 A K 0 0 256 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.029 360.0 360.0-178.2 360.0 26.0 33.7 3.7