==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 10-JUN-11 3B0I . COMPND 2 MOLECULE: ALPHA-LACTALBUMIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.MAKABE . 121 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6852.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 72 59.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 5.8 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 . 3 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 18.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.3 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 . 0 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 0 A M 0 0 181 0, 0.0 39,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 42.8 6.6 9.6 12.7 2 1 A K - 0 0 135 1,-0.1 36,-0.2 36,-0.1 35,-0.2 -0.510 360.0-176.4 -63.6 130.3 6.8 5.9 11.5 3 2 A Q + 0 0 87 34,-2.3 2,-0.3 -2,-0.2 -1,-0.1 0.467 64.1 38.2-110.9 -4.0 7.0 3.7 14.6 4 3 A F S S- 0 0 24 33,-0.3 2,-0.3 32,-0.2 -1,-0.0 -0.918 73.0-124.8-133.7 160.0 7.3 0.4 12.7 5 4 A T > - 0 0 80 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.779 33.9-116.1 -92.1 154.1 9.0 -1.0 9.6 6 5 A K H > S+ 0 0 68 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.852 118.3 54.9 -52.7 -37.4 6.7 -2.8 7.1 7 6 A a H > S+ 0 0 46 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.899 105.9 47.7 -67.7 -43.4 8.7 -5.9 8.0 8 7 A E H > S+ 0 0 87 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.896 112.1 50.4 -65.8 -38.8 8.2 -5.7 11.8 9 8 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.909 108.7 52.7 -65.1 -39.0 4.4 -5.1 11.2 10 9 A S H < S+ 0 0 18 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.853 112.6 45.4 -61.8 -35.8 4.4 -8.2 8.9 11 10 A Q H >< S+ 0 0 138 -4,-1.7 3,-1.1 2,-0.2 -2,-0.2 0.909 114.2 46.9 -73.9 -46.5 6.0 -10.3 11.6 12 11 A L H 3< S+ 0 0 86 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.877 120.1 39.7 -59.6 -42.6 3.8 -9.0 14.5 13 12 A L T >< S+ 0 0 5 -4,-2.5 3,-1.9 -5,-0.2 4,-0.3 0.096 79.2 122.0 -95.4 23.0 0.6 -9.5 12.4 14 13 A K G X S+ 0 0 110 -3,-1.1 3,-0.8 1,-0.3 -1,-0.2 0.783 72.5 51.7 -59.5 -32.4 1.7 -12.8 10.8 15 14 A D G 3 S+ 0 0 134 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.455 95.2 70.6 -88.1 0.2 -1.2 -14.8 12.1 16 15 A I G X S+ 0 0 5 -3,-1.9 3,-1.4 2,-0.1 2,-0.4 0.466 70.7 110.8 -88.9 -5.1 -3.8 -12.3 10.7 17 16 A D T < S+ 0 0 97 -3,-0.8 6,-0.2 -4,-0.3 3,-0.1 -0.591 87.6 16.6 -71.4 125.4 -2.9 -13.4 7.1 18 17 A G T > S+ 0 0 48 4,-4.2 3,-2.8 -2,-0.4 2,-0.4 0.169 86.5 146.5 94.1 -16.6 -6.0 -15.3 5.9 19 18 A Y G X S- 0 0 65 -3,-1.4 3,-0.6 1,-0.3 -1,-0.3 -0.384 87.6 -11.5 -59.9 112.7 -8.2 -13.7 8.6 20 19 A G G 3 S- 0 0 82 -2,-0.4 -1,-0.3 1,-0.2 82,-0.2 0.815 131.6 -57.9 60.9 32.3 -11.6 -13.3 6.8 21 20 A G G < S+ 0 0 70 -3,-2.8 2,-0.4 1,-0.3 -1,-0.2 0.739 98.6 150.7 70.2 24.6 -9.8 -14.1 3.5 22 21 A I < - 0 0 6 -3,-0.6 -4,-4.2 -6,-0.2 2,-0.4 -0.730 43.0-138.5 -90.0 134.0 -7.4 -11.2 4.0 23 22 A A > - 0 0 45 -2,-0.4 4,-1.6 -6,-0.2 3,-0.4 -0.782 18.3-130.4 -82.9 134.9 -3.9 -11.4 2.5 24 23 A L H > S+ 0 0 23 -2,-0.4 4,-2.6 1,-0.2 3,-0.4 0.923 105.7 51.2 -56.0 -48.2 -1.3 -10.0 5.0 25 24 A P H > S+ 0 0 30 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.836 106.2 57.6 -58.8 -33.3 0.4 -7.6 2.5 26 25 A E H > S+ 0 0 33 -3,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.905 110.1 43.6 -57.1 -46.1 -3.0 -6.3 1.6 27 26 A L H X S+ 0 0 1 -4,-1.6 4,-3.3 -3,-0.4 5,-0.2 0.938 113.3 49.0 -67.6 -50.2 -3.5 -5.3 5.2 28 27 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.921 112.1 50.9 -55.3 -48.2 0.0 -3.9 5.8 29 28 A b H X S+ 0 0 0 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.932 111.2 48.3 -47.4 -51.9 -0.5 -1.9 2.6 30 29 A T H X S+ 0 0 0 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.928 111.1 49.8 -61.9 -45.5 -3.9 -0.7 4.0 31 30 A M H X>S+ 0 0 2 -4,-3.3 4,-2.7 1,-0.2 5,-0.7 0.895 108.0 54.1 -62.2 -40.3 -2.3 0.3 7.3 32 31 A F H X5S+ 0 0 68 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.910 112.1 40.6 -63.4 -46.5 0.5 2.3 5.7 33 32 A H H <5S+ 0 0 81 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.677 118.3 52.0 -75.2 -17.3 -1.7 4.6 3.6 34 33 A T H <5S- 0 0 33 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.932 135.4 -4.8 -79.0 -52.0 -4.1 4.8 6.5 35 34 A S H ><5S- 0 0 15 -4,-2.7 3,-1.2 18,-0.3 -3,-0.2 0.442 80.4-122.3-127.7 -12.0 -1.7 5.9 9.3 36 35 A G T 3< -AB 42 56A 24 5,-2.0 5,-2.3 -2,-0.4 3,-0.3 -0.894 30.7 -17.4-126.9 142.3 -7.2 6.9 16.0 52 51 A G T > 5S- 0 0 0 -11,-2.3 3,-1.4 -2,-0.4 -12,-0.2 -0.001 98.4 -32.0 79.9-172.4 -3.9 4.9 15.9 53 52 A L T 3 5S+ 0 0 0 28,-0.3 -18,-0.3 -14,-0.3 -16,-0.2 0.824 141.8 39.4 -52.7 -41.1 -2.2 2.6 13.5 54 53 A F T 3 5S- 0 0 0 -3,-0.3 -1,-0.3 27,-0.1 -2,-0.2 0.367 103.1-129.1 -91.4 3.0 -5.7 1.2 12.3 55 54 A Q T < 5 - 0 0 7 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.934 34.1-169.5 44.5 58.4 -7.5 4.6 12.3 56 55 A I E < -B 51 0A 0 -5,-2.3 -5,-2.0 25,-0.1 2,-0.2 -0.634 15.4-125.9 -82.6 129.3 -10.3 3.3 14.3 57 56 A S E >>> -B 50 0A 7 -2,-0.4 4,-1.6 -7,-0.2 3,-0.7 -0.522 8.0-145.9 -84.6 139.6 -13.3 5.7 14.5 58 57 A N T 345S+ 0 0 0 -9,-2.6 6,-0.2 -2,-0.2 14,-0.2 0.525 90.2 83.2 -74.6 -3.1 -15.0 7.0 17.6 59 58 A K T 345S- 0 0 82 -10,-0.3 12,-0.4 1,-0.1 -1,-0.2 0.890 119.8 -14.2 -62.0 -39.8 -18.3 7.0 15.7 60 59 A L T <45S+ 0 0 67 -3,-0.7 13,-2.5 10,-0.2 -2,-0.2 0.618 128.6 55.9-132.7 -36.7 -18.9 3.3 16.3 61 60 A W T <5S+ 0 0 7 -4,-1.6 13,-2.0 11,-0.3 2,-0.3 0.752 103.2 19.9 -96.8 -27.8 -15.9 1.3 17.6 62 61 A c S - 0 0 25 3,-0.4 3,-0.5 -2,-0.4 6,-0.2 -0.971 51.0-117.7-151.6 152.9 -14.6 9.1 23.4 65 64 A S T 3 S+ 0 0 118 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.764 110.2 65.0 -60.9 -28.3 -15.9 12.4 24.8 66 65 A Q T 3 S+ 0 0 86 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.844 111.2 29.4 -71.7 -33.6 -16.5 13.6 21.3 67 66 A V X + 0 0 9 -3,-0.5 3,-1.9 1,-0.1 -3,-0.4 -0.730 63.6 170.4-129.1 76.8 -19.2 11.1 20.4 68 67 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.747 78.1 61.1 -62.0 -21.5 -21.1 10.2 23.6 69 68 A Q T 3 S+ 0 0 147 -3,-0.1 -10,-0.0 2,-0.0 -6,-0.0 0.458 76.3 127.1 -83.9 -2.6 -23.8 8.4 21.6 70 69 A S < - 0 0 21 -3,-1.9 -10,-0.2 -6,-0.2 -11,-0.1 -0.295 61.1-139.3 -57.8 137.5 -21.2 5.9 20.2 71 70 A R - 0 0 195 -12,-0.4 -1,-0.1 -8,-0.0 -11,-0.1 0.549 26.4-141.6 -77.9 -9.3 -22.1 2.2 20.7 72 71 A N > - 0 0 27 -10,-0.4 3,-1.8 -14,-0.2 -11,-0.3 0.919 23.8-176.2 52.3 59.2 -18.5 1.4 21.5 73 72 A I T 3 S+ 0 0 29 -13,-2.5 -12,-0.2 1,-0.3 -11,-0.1 0.868 80.7 48.5 -59.7 -39.7 -18.4 -2.0 19.7 74 73 A d T 3 S- 0 0 9 -13,-2.0 -1,-0.3 2,-0.1 -12,-0.1 0.500 104.1-132.9 -79.4 -3.3 -14.9 -2.8 20.8 75 74 A D < + 0 0 138 -3,-1.8 2,-0.3 1,-0.2 -13,-0.1 0.916 66.3 107.8 51.8 57.3 -15.7 -1.9 24.5 76 75 A I S S- 0 0 28 -15,-0.3 -13,-2.4 16,-0.0 2,-0.3 -0.986 75.5-100.4-159.9 146.1 -12.6 0.2 25.0 77 76 A S B > -c 63 0B 49 -2,-0.3 3,-1.8 -15,-0.2 4,-0.3 -0.630 32.0-127.2 -71.9 136.9 -11.7 3.8 25.4 78 77 A c G > S+ 0 0 4 -15,-2.4 3,-1.7 -2,-0.3 -1,-0.1 0.735 103.6 74.7 -54.5 -26.6 -10.2 5.3 22.2 79 78 A D G > S+ 0 0 102 -16,-0.4 3,-2.2 1,-0.3 -1,-0.3 0.825 82.2 69.5 -58.8 -28.6 -7.1 6.5 24.1 80 79 A K G X S+ 0 0 74 -3,-1.8 3,-1.1 1,-0.3 -1,-0.3 0.802 90.1 62.2 -61.1 -25.5 -6.0 2.9 24.1 81 80 A F G < S+ 0 0 0 -3,-1.7 -28,-0.3 -4,-0.3 -1,-0.3 0.347 98.7 56.5 -83.2 6.5 -5.5 3.2 20.3 82 81 A L G < S+ 0 0 49 -3,-2.2 -1,-0.2 -30,-0.1 -2,-0.2 0.219 87.4 95.9-116.4 10.9 -2.8 5.9 20.9 83 82 A D S < S- 0 0 43 -3,-1.1 -3,-0.0 2,-0.2 0, 0.0 -0.341 87.5-104.7 -93.2-178.7 -0.5 4.0 23.2 84 83 A D S S+ 0 0 146 -2,-0.1 2,-0.7 1,-0.1 -1,-0.1 0.525 98.8 83.4 -86.9 -0.3 2.7 2.0 22.2 85 84 A D - 0 0 75 -5,-0.2 3,-0.4 1,-0.1 4,-0.3 -0.905 54.6-174.2-104.7 113.0 1.0 -1.4 22.5 86 85 A I > + 0 0 10 -2,-0.7 4,-3.0 1,-0.2 5,-0.2 0.404 60.9 98.9 -87.4 5.1 -1.0 -2.3 19.3 87 86 A T H > S+ 0 0 93 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.925 87.1 42.1 -57.5 -49.1 -2.4 -5.5 20.9 88 87 A D H > S+ 0 0 16 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.840 113.0 54.7 -67.3 -32.6 -5.8 -3.8 21.7 89 88 A D H > S+ 0 0 0 -4,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.921 108.3 48.6 -65.0 -45.4 -5.8 -2.1 18.3 90 89 A I H X S+ 0 0 33 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.917 107.2 56.1 -58.8 -45.6 -5.4 -5.5 16.6 91 90 A M H X S+ 0 0 73 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.934 112.7 42.2 -51.7 -47.4 -8.3 -6.9 18.8 92 91 A d H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.892 109.2 56.3 -70.4 -40.6 -10.5 -4.2 17.5 93 92 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.863 107.2 52.0 -57.2 -39.4 -9.4 -4.3 13.9 94 93 A K H X S+ 0 0 75 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.885 106.4 51.9 -65.9 -40.3 -10.3 -8.0 14.0 95 94 A K H X S+ 0 0 84 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.885 110.8 49.7 -60.9 -38.8 -13.8 -7.1 15.3 96 95 A I H >X>S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 5,-1.8 0.947 112.1 46.6 -64.5 -46.3 -14.0 -4.7 12.3 97 96 A L H 3<5S+ 0 0 21 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.853 109.2 55.6 -63.0 -36.7 -12.9 -7.5 10.0 98 97 A D H 3<5S+ 0 0 104 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.740 124.4 22.7 -63.0 -29.6 -15.4 -9.9 11.6 99 98 A I H <<5S+ 0 0 108 -4,-1.1 -2,-0.2 -3,-0.6 -3,-0.2 0.863 138.5 13.6-101.1 -69.1 -18.2 -7.4 10.8 100 99 A K T <5S- 0 0 115 -4,-1.9 3,-0.3 -5,-0.2 -3,-0.2 0.646 93.5-139.0 -94.5 -21.9 -17.6 -5.0 8.0 101 100 A G > < - 0 0 23 -5,-1.8 3,-2.0 1,-0.2 -1,-0.2 -0.158 45.7 -46.9 85.7 178.7 -14.5 -6.5 6.4 102 101 A I G > S+ 0 0 21 1,-0.3 3,-1.6 -82,-0.2 6,-0.3 0.669 121.4 80.8 -62.3 -18.6 -11.3 -4.9 5.0 103 102 A D G 3 + 0 0 99 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.527 67.2 86.4 -67.7 -5.6 -13.5 -2.3 3.2 104 103 A Y G < S+ 0 0 24 -3,-2.0 2,-0.5 2,-0.1 -1,-0.3 0.894 82.2 70.4 -52.4 -39.8 -13.7 -0.4 6.5 105 104 A W S X> S- 0 0 10 -3,-1.6 3,-1.0 -4,-0.2 4,-0.5 -0.710 75.0-154.1 -88.7 125.7 -10.4 1.1 5.3 106 105 A L H 3> S+ 0 0 160 -2,-0.5 4,-0.5 1,-0.2 -1,-0.1 0.528 92.9 63.0 -76.6 -8.4 -10.7 3.5 2.4 107 106 A A H 3>>S+ 0 0 13 3,-0.1 4,-2.1 2,-0.1 5,-0.7 0.626 87.6 73.9 -84.5 -18.1 -7.1 2.7 1.4 108 107 A H H <>5S+ 0 0 7 -3,-1.0 4,-1.8 -6,-0.3 -2,-0.2 0.950 107.0 26.4 -67.3 -54.7 -7.8 -0.9 0.7 109 108 A K H <5S+ 0 0 141 -4,-0.5 4,-0.3 2,-0.2 -1,-0.2 0.816 120.1 60.0 -75.4 -32.6 -9.8 -0.8 -2.6 110 109 A A H <5S- 0 0 70 -4,-0.5 -2,-0.2 1,-0.1 -1,-0.2 0.892 135.3 -12.0 -60.0 -42.5 -8.1 2.5 -3.5 111 110 A L H <5S+ 0 0 97 -4,-2.1 3,-0.4 -85,-0.1 -3,-0.2 0.538 121.3 68.4-135.8 -12.9 -4.5 1.0 -3.5 112 111 A b S < + 0 0 38 1,-0.1 3,-1.8 -3,-0.1 4,-0.1 0.345 34.8 102.7-112.8 3.3 1.1 -5.5 -3.8 117 116 A E G > S+ 0 0 122 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.735 73.8 66.4 -66.2 -21.1 4.7 -6.9 -4.1 118 117 A Q G 3 S+ 0 0 92 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.612 95.1 59.9 -70.8 -13.3 6.2 -3.7 -2.5 119 118 A W G < S+ 0 0 23 -3,-1.8 -1,-0.2 2,-0.1 2,-0.2 0.316 83.8 101.8 -99.3 3.9 4.5 -4.7 0.8 120 119 A L < 0 0 98 -3,-1.1 -113,-0.1 -4,-0.1 -114,-0.1 -0.589 360.0 360.0 -79.3 151.2 6.3 -8.0 1.1 121 120 A a 0 0 113 -2,-0.2 -2,-0.1 -115,-0.1 -3,-0.1 -0.863 360.0 360.0-100.4 360.0 9.2 -8.3 3.4