==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM-BINDING PROTEIN 29-SEP-94 1HML . COMPND 2 MOLECULE: ALPHA-LACTALBUMIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.REN,D.I.STUART,K.R.ACHARYA . 123 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7228.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 77 62.6 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 7.3 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 . 7 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 17.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 24.4 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 1 0 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 84 0, 0.0 37,-2.6 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 127.1 10.2 27.5 16.0 2 2 A Q B -A 37 0A 130 35,-0.2 35,-0.2 36,-0.1 34,-0.1 -0.937 360.0-153.6-111.1 113.3 10.5 27.3 12.2 3 3 A F - 0 0 13 33,-2.2 2,-0.2 -2,-0.6 3,-0.0 -0.406 10.5-125.3 -81.2 162.6 14.2 27.5 11.0 4 4 A T > - 0 0 63 -2,-0.1 4,-2.3 1,-0.1 5,-0.3 -0.595 36.4 -99.0 -94.5 168.3 15.4 28.7 7.6 5 5 A K H > S+ 0 0 68 1,-0.2 4,-1.8 -2,-0.2 5,-0.1 0.918 122.2 39.6 -51.4 -53.1 17.8 26.5 5.5 6 6 A a H > S+ 0 0 13 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.814 110.4 57.7 -70.0 -34.9 21.0 28.3 6.6 7 7 A E H > S+ 0 0 58 1,-0.2 4,-1.7 2,-0.2 3,-0.2 0.970 112.5 41.3 -59.5 -53.6 20.0 28.8 10.2 8 8 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.857 110.0 58.8 -62.9 -39.2 19.6 25.1 10.7 9 9 A S H < S+ 0 0 7 -4,-1.8 4,-0.4 -5,-0.3 -1,-0.2 0.888 106.4 48.7 -55.5 -44.3 22.7 24.4 8.6 10 10 A Q H >< S+ 0 0 117 -4,-2.0 3,-0.7 -3,-0.2 4,-0.3 0.876 110.3 50.7 -63.1 -41.9 24.7 26.4 11.1 11 11 A L H 3< S+ 0 0 96 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.768 118.1 38.7 -66.5 -29.7 23.1 24.6 14.1 12 12 A L T >< S+ 0 0 3 -4,-1.8 3,-2.3 1,-0.1 4,-0.3 0.285 80.3 111.6-103.6 9.1 24.0 21.1 12.5 13 13 A K G X S+ 0 0 125 -3,-0.7 3,-1.5 -4,-0.4 -1,-0.1 0.860 75.8 55.6 -49.4 -43.2 27.5 22.0 11.0 14 14 A D G 3 S+ 0 0 174 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.513 98.3 64.7 -68.5 -9.1 29.2 19.7 13.6 15 15 A I G X + 0 0 9 -3,-2.3 3,-2.3 2,-0.1 -1,-0.2 0.422 69.6 129.8 -92.6 -5.3 27.1 16.8 12.4 16 16 A D T < S+ 0 0 102 -3,-1.5 6,-0.2 -4,-0.3 3,-0.1 -0.313 80.4 9.4 -54.5 125.8 28.5 16.7 8.8 17 17 A G T > S+ 0 0 40 4,-2.1 3,-2.1 1,-0.3 -1,-0.3 0.340 85.6 153.0 86.7 -9.8 29.6 13.2 7.9 18 18 A Y G X S- 0 0 76 -3,-2.3 3,-1.0 3,-0.3 -1,-0.3 -0.397 80.0 -1.6 -59.4 121.0 28.0 11.6 11.0 19 19 A G G 3 S- 0 0 57 -2,-0.3 -1,-0.3 1,-0.2 82,-0.2 0.814 132.2 -62.1 65.7 32.4 27.2 8.0 10.0 20 20 A G G < S+ 0 0 73 -3,-2.1 2,-0.5 1,-0.2 -1,-0.2 0.534 104.6 138.2 69.5 11.9 28.5 8.6 6.5 21 21 A I < - 0 0 16 -3,-1.0 -4,-2.1 -6,-0.1 -3,-0.3 -0.767 48.2-138.6 -97.5 121.8 25.8 11.2 6.1 22 22 A A >> - 0 0 36 -2,-0.5 4,-1.8 -6,-0.2 3,-0.6 -0.532 17.7-123.2 -77.7 143.5 26.6 14.5 4.4 23 23 A L H 3> S+ 0 0 11 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.873 109.0 51.1 -52.6 -48.9 25.1 17.8 5.8 24 24 A P H 3> S+ 0 0 28 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.851 109.6 52.3 -59.5 -36.4 23.3 18.9 2.6 25 25 A E H <> S+ 0 0 44 -3,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.867 110.5 47.3 -64.4 -40.3 21.7 15.5 2.4 26 26 A L H X S+ 0 0 3 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.875 110.9 51.1 -69.7 -38.5 20.5 15.8 6.0 27 27 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.935 111.0 48.5 -63.1 -45.9 19.1 19.3 5.4 28 28 A b H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.909 110.7 51.9 -57.6 -45.0 17.2 18.2 2.3 29 29 A T H X S+ 0 0 0 -4,-1.9 4,-0.7 1,-0.2 -2,-0.2 0.928 110.5 47.0 -59.1 -47.9 15.8 15.2 4.3 30 30 A M H X>S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-1.2 0.827 106.2 59.4 -67.6 -30.9 14.6 17.5 7.1 31 31 A F H X5S+ 0 0 92 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.960 112.1 38.5 -59.8 -52.3 13.0 19.9 4.7 32 32 A H H <5S+ 0 0 82 -4,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.541 118.4 52.7 -73.7 -10.6 10.7 17.2 3.2 33 33 A T H <5S- 0 0 40 -4,-0.7 -2,-0.2 -3,-0.3 -3,-0.2 0.893 136.8 -13.2 -93.8 -46.2 10.2 15.7 6.7 34 34 A S H ><5S- 0 0 18 -4,-2.4 3,-1.0 18,-0.2 -3,-0.2 0.400 82.3-116.3-137.6 -3.0 9.0 18.6 8.9 35 35 A G T 3< -BC 41 55B 26 5,-2.1 5,-2.1 -2,-0.4 3,-0.3 -0.922 32.4 -21.5-125.8 144.3 7.3 14.6 16.9 51 51 A G T > 5S- 0 0 0 -11,-2.5 3,-1.4 -2,-0.4 -13,-0.2 -0.047 96.8 -30.4 71.0-172.5 9.4 17.6 16.1 52 52 A L T 3 5S+ 0 0 0 28,-0.4 -16,-0.3 1,-0.3 -1,-0.2 0.795 140.2 38.8 -50.1 -40.8 11.9 18.6 13.5 53 53 A F T 3 5S- 0 0 2 -3,-0.3 -1,-0.3 27,-0.1 -2,-0.2 0.451 105.0-126.9 -94.1 -1.7 13.2 15.1 13.0 54 54 A Q T < 5 - 0 0 6 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.965 34.9-168.1 51.6 58.1 9.7 13.4 13.3 55 55 A I E < -C 50 0B 0 -5,-2.1 -5,-2.1 25,-0.1 2,-0.2 -0.688 15.2-125.1 -83.0 126.9 10.8 10.9 16.0 56 56 A S E >>> -C 49 0B 12 -2,-0.4 4,-1.7 -7,-0.2 5,-1.1 -0.476 11.0-151.2 -79.8 139.9 8.2 8.2 16.6 57 57 A N T 345S+ 0 0 0 -9,-2.2 6,-0.3 1,-0.2 14,-0.2 0.493 90.5 79.7 -84.0 -3.1 6.6 7.2 20.0 58 58 A K T 345S- 0 0 82 -10,-0.3 12,-0.5 11,-0.1 -1,-0.2 0.853 123.1 -14.1 -71.2 -29.9 6.3 3.7 18.7 59 59 A L T <45S+ 0 0 60 -3,-0.7 13,-2.4 10,-0.2 -2,-0.2 0.625 130.6 51.6-143.7 -31.4 10.0 3.0 19.5 60 60 A W T <5S+ 0 0 10 -4,-1.7 13,-2.2 11,-0.3 2,-0.3 0.787 105.4 22.7 -94.0 -32.6 12.1 6.1 20.2 61 61 A c S - 0 0 20 -2,-0.5 3,-0.9 3,-0.4 6,-0.2 -0.955 47.9-122.0-138.3 148.9 4.3 9.0 25.2 64 64 A S T 3 S+ 0 0 122 -2,-0.3 -1,-0.0 1,-0.2 -2,-0.0 0.727 107.6 69.9 -66.6 -19.1 1.0 8.0 27.0 65 65 A Q T 3 S+ 0 0 78 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.831 108.9 29.8 -67.1 -34.4 -0.4 7.0 23.6 66 66 A V X + 0 0 2 -3,-0.9 3,-2.0 1,-0.1 -3,-0.4 -0.687 67.3 173.7-126.8 80.2 1.9 3.9 23.3 67 67 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.755 76.5 63.0 -60.3 -22.0 2.7 2.7 26.8 68 68 A Q T 3 S+ 0 0 140 -3,-0.1 -10,-0.0 2,-0.0 -6,-0.0 0.375 74.3 133.9 -84.1 3.8 4.5 -0.3 25.4 69 69 A S < - 0 0 9 -3,-2.0 -10,-0.2 -6,-0.2 -11,-0.1 -0.250 58.4-139.0 -57.9 139.0 7.2 1.8 23.7 70 70 A R - 0 0 204 -12,-0.5 -1,-0.1 -9,-0.0 -11,-0.1 0.700 27.5-150.1 -70.5 -19.8 10.9 0.6 24.1 71 71 A N > - 0 0 28 -10,-0.3 3,-1.9 -14,-0.2 -11,-0.3 0.930 21.2-179.6 51.0 55.2 11.7 4.3 24.5 72 72 A I T 3 S+ 0 0 49 -13,-2.4 -12,-0.2 1,-0.3 -11,-0.1 0.845 77.7 50.7 -58.2 -35.4 15.2 3.9 23.1 73 73 A d T 3 S- 0 0 21 -13,-2.2 -1,-0.3 2,-0.1 -12,-0.1 0.504 103.9-134.9 -81.4 -3.3 16.2 7.5 23.4 74 74 A D < + 0 0 135 -3,-1.9 2,-0.3 -14,-0.2 -13,-0.1 0.902 64.5 106.7 51.1 59.0 15.0 7.4 27.1 75 75 A I S S- 0 0 35 -15,-0.3 -13,-2.6 16,-0.0 2,-0.2 -0.992 74.7-101.6-161.0 146.9 13.1 10.7 27.0 76 76 A S B > -d 62 0C 51 -2,-0.3 3,-1.6 -15,-0.2 -13,-0.2 -0.540 34.0-122.4 -73.6 146.2 9.5 11.8 27.0 77 77 A c G > S+ 0 0 4 -15,-2.3 3,-1.9 1,-0.3 -1,-0.1 0.721 103.7 75.4 -62.9 -20.0 8.3 12.9 23.6 78 78 A D G > S+ 0 0 102 -16,-0.3 3,-1.7 1,-0.3 -1,-0.3 0.787 82.3 69.6 -62.4 -25.8 7.4 16.4 24.8 79 79 A K G < S+ 0 0 80 -3,-1.6 3,-0.4 1,-0.3 -1,-0.3 0.605 91.6 61.1 -65.5 -12.9 11.1 17.3 24.8 80 80 A F G < S+ 0 0 0 -3,-1.9 -28,-0.4 -4,-0.2 -1,-0.3 0.337 97.4 58.6 -96.4 8.4 11.0 17.1 20.9 81 81 A L S < S+ 0 0 45 -3,-1.7 -1,-0.2 -30,-0.1 -2,-0.2 0.322 89.2 88.6-115.3 1.2 8.4 19.9 20.7 82 82 A D S S- 0 0 54 -3,-0.4 -3,-0.0 2,-0.2 0, 0.0 -0.265 89.2 -97.9 -92.7-174.7 10.4 22.7 22.5 83 83 A D S S+ 0 0 109 -2,-0.1 2,-0.8 1,-0.1 -3,-0.0 0.607 98.9 82.0 -81.9 -14.1 12.9 25.3 21.2 84 84 A D - 0 0 90 1,-0.1 3,-0.4 -5,-0.1 4,-0.4 -0.818 51.9-178.0 -93.6 108.7 16.1 23.5 22.1 85 85 A I > + 0 0 11 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.389 58.7 99.1 -87.0 9.7 16.9 20.9 19.4 86 86 A T H > S+ 0 0 95 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.934 87.1 40.5 -61.3 -49.0 20.0 19.7 21.3 87 87 A D H > S+ 0 0 34 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.851 112.2 57.7 -69.1 -28.3 18.3 16.6 22.8 88 88 A D H > S+ 0 0 0 -4,-0.4 4,-2.6 -9,-0.2 -2,-0.2 0.927 107.1 48.5 -63.2 -45.1 16.5 16.0 19.4 89 89 A I H X S+ 0 0 26 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.906 107.1 55.5 -61.3 -40.6 19.9 15.8 17.8 90 90 A M H X S+ 0 0 148 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.927 112.3 42.8 -60.3 -43.7 21.1 13.4 20.4 91 91 A d H X S+ 0 0 4 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.918 110.4 54.7 -70.5 -41.5 18.2 11.1 19.6 92 92 A A H X S+ 0 0 3 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.866 107.0 52.8 -57.2 -39.9 18.6 11.5 15.9 93 93 A K H X S+ 0 0 78 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.853 107.4 51.2 -65.0 -36.6 22.2 10.4 16.2 94 94 A K H X S+ 0 0 88 -4,-1.3 4,-2.3 2,-0.2 5,-0.3 0.893 110.5 49.0 -68.0 -37.8 21.1 7.3 18.1 95 95 A I H X>S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.2 4,-2.1 0.944 111.1 50.0 -65.3 -44.9 18.6 6.5 15.2 96 96 A L H <5S+ 0 0 16 -4,-2.7 -2,-0.2 3,-0.2 -1,-0.2 0.876 113.1 47.5 -60.0 -38.7 21.5 7.0 12.7 97 97 A D H <5S+ 0 0 105 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.873 125.0 26.7 -66.8 -45.7 23.7 4.6 14.8 98 98 A I H <5S+ 0 0 103 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.2 0.921 139.4 13.2 -86.4 -54.9 21.1 1.9 15.2 99 99 A K T <5S- 0 0 133 -4,-2.1 3,-0.2 -5,-0.3 -3,-0.2 0.870 95.3-142.9 -93.5 -45.7 18.7 2.1 12.3 100 100 A G > < - 0 0 19 -5,-2.8 3,-1.6 1,-0.2 4,-0.2 -0.461 41.1 -45.8 105.8 177.4 20.4 4.4 9.8 101 101 A I G > S+ 0 0 21 1,-0.3 3,-2.1 -82,-0.2 6,-0.3 0.729 118.1 77.9 -59.3 -25.9 19.3 7.2 7.4 102 102 A D G 3 + 0 0 105 1,-0.3 -1,-0.3 -3,-0.2 3,-0.1 0.434 67.9 85.2 -67.9 0.6 16.4 5.1 6.0 103 103 A Y G < S+ 0 0 40 -3,-1.6 2,-0.7 1,-0.2 -1,-0.3 0.809 90.0 60.8 -62.7 -31.7 14.4 5.9 9.1 104 104 A W S X S- 0 0 8 -3,-2.1 3,-1.6 -4,-0.2 4,-0.5 -0.872 73.2-163.8-102.0 104.9 13.6 9.0 6.9 105 105 A L T 3> S+ 0 0 157 -2,-0.7 4,-1.5 1,-0.3 3,-0.2 0.781 83.6 70.7 -56.2 -30.2 11.9 8.0 3.6 106 106 A A H 3>>S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 5,-0.8 0.756 85.4 68.9 -61.0 -28.8 12.8 11.5 2.1 107 107 A H H <>5S+ 0 0 8 -3,-1.6 4,-1.5 -6,-0.3 -1,-0.2 0.971 108.3 30.3 -59.4 -57.3 16.5 10.7 1.9 108 108 A K H 45S+ 0 0 133 -4,-0.5 4,-0.2 -3,-0.2 -1,-0.2 0.855 120.0 55.8 -69.9 -34.4 16.4 8.0 -0.8 109 109 A A H <5S- 0 0 69 -4,-1.5 -2,-0.2 1,-0.1 -1,-0.2 0.930 133.1 -7.7 -64.6 -47.9 13.3 9.5 -2.6 110 110 A L H <5S+ 0 0 99 -4,-2.1 3,-0.3 -5,-0.2 -3,-0.2 0.447 117.2 72.7-133.0 -3.8 14.6 13.1 -3.2 111 111 A b S < + 0 0 58 1,-0.2 3,-1.3 -3,-0.2 4,-0.2 0.621 43.5 78.5 -87.1 -16.7 22.2 18.8 -4.1 116 116 A E G > S+ 0 0 168 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 0.857 84.3 66.3 -61.0 -34.8 23.6 22.3 -4.7 117 117 A Q G 3 S+ 0 0 110 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.727 97.6 56.3 -58.2 -22.2 20.4 23.9 -3.7 118 118 A W G < S+ 0 0 19 -3,-1.3 -1,-0.3 -4,-0.1 -2,-0.2 0.471 85.0 103.5 -89.5 -4.5 20.9 22.6 -0.2 119 119 A L < - 0 0 96 -3,-2.0 2,-0.5 -4,-0.2 -113,-0.1 -0.489 59.9-147.5 -77.6 149.1 24.3 24.2 0.3 120 120 A a + 0 0 35 -2,-0.2 3,-0.1 1,-0.1 -2,-0.1 -0.975 21.0 177.5-125.1 130.0 24.6 27.3 2.4 121 121 A E - 0 0 199 -2,-0.5 2,-0.3 1,-0.4 -1,-0.1 0.896 69.9 -34.9 -89.0 -54.5 27.0 30.2 1.9 122 122 A K 0 0 179 0, 0.0 -1,-0.4 0, 0.0 -116,-0.1 -0.935 360.0 360.0-168.4 148.1 26.0 32.7 4.7 123 123 A L 0 0 131 -2,-0.3 -3,-0.0 -117,-0.1 -119,-0.0 -0.978 360.0 360.0-122.3 360.0 22.7 33.8 6.4