==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 23-JUN-00 1F6R . COMPND 2 MOLECULE: ALPHA-LACTALBUMIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR E.D.CHRYSINA,K.BREW,K.R.ACHARYA . 727 6 24 24 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29028.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 474 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.8 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 . 12 1.7 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 . 32 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 133 18.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 3.2 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 6 6 0 0 0 0 6 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 6 6 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 6 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 E 0 0 79 0, 0.0 37,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 99.1 2.1 88.8 165.3 2 2 A Q B -A 37 0A 120 35,-0.2 2,-0.2 36,-0.1 35,-0.2 -0.686 360.0-169.0 -90.8 133.5 3.9 90.9 162.8 3 3 A L - 0 0 8 33,-1.9 2,-0.3 -2,-0.4 3,-0.0 -0.672 15.3-126.2-114.7 169.4 5.8 94.1 163.8 4 4 A T >> - 0 0 73 -2,-0.2 4,-2.2 1,-0.1 3,-0.9 -0.723 37.6 -95.1-110.0 162.6 7.5 96.9 162.0 5 5 A K H 3> S+ 0 0 70 -2,-0.3 4,-2.2 1,-0.3 3,-0.1 0.890 123.3 42.8 -41.9 -55.2 11.0 98.2 162.2 6 6 A a H 3> S+ 0 0 56 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.731 109.4 54.9 -71.2 -23.6 10.2 100.9 164.8 7 7 A E H <> S+ 0 0 55 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.874 111.3 46.2 -74.3 -35.3 7.8 98.8 166.9 8 8 A V H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.920 112.0 52.9 -67.9 -42.7 10.6 96.3 167.3 9 9 A F H < S+ 0 0 15 -4,-2.2 3,-0.3 -5,-0.3 -2,-0.2 0.910 112.3 43.8 -56.6 -46.6 12.9 99.2 168.0 10 10 A R H >< S+ 0 0 135 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.878 115.0 48.7 -68.4 -40.5 10.6 100.5 170.8 11 11 A E H 3< S+ 0 0 72 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.591 107.5 53.0 -80.0 -13.2 10.0 97.1 172.3 12 12 A L T >X + 0 0 0 -4,-1.5 3,-2.8 -3,-0.3 4,-0.7 0.206 70.0 118.4-104.7 16.4 13.6 96.0 172.5 13 13 A K G X4 + 0 0 86 -3,-0.9 3,-1.6 1,-0.3 -1,-0.2 0.853 69.5 62.2 -49.2 -39.4 14.7 99.2 174.4 14 14 A D G 34 S+ 0 0 123 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.648 98.7 53.7 -64.5 -15.1 15.7 97.0 177.3 15 15 A L G X4 S+ 0 0 0 -3,-2.8 3,-1.4 2,-0.1 6,-0.3 0.595 80.5 126.1 -92.1 -10.3 18.3 95.2 175.2 16 16 A K T << S- 0 0 118 -3,-1.6 6,-0.2 -4,-0.7 3,-0.1 -0.240 92.0 -14.9 -51.6 111.6 19.7 98.7 174.3 17 17 A G T > S+ 0 0 42 4,-1.9 3,-2.5 1,-0.3 -1,-0.3 0.277 96.0 146.0 78.0 -14.5 23.4 98.6 175.2 18 18 A Y G X S+ 0 0 70 -3,-1.4 3,-1.5 1,-0.3 -1,-0.3 -0.341 78.6 0.9 -57.9 130.0 23.0 95.4 177.2 19 19 A G G 3 S- 0 0 65 1,-0.3 -1,-0.3 -3,-0.1 82,-0.2 0.660 131.5 -67.5 65.1 12.0 26.1 93.3 176.9 20 20 A G G < S+ 0 0 71 -3,-2.5 2,-0.4 1,-0.3 -1,-0.3 0.682 101.4 127.5 84.0 15.0 27.6 96.0 174.7 21 21 A V < - 0 0 6 -3,-1.5 -4,-1.9 -6,-0.3 -1,-0.3 -0.898 50.5-133.6-110.8 139.4 25.2 95.6 171.7 22 22 A S > - 0 0 41 -2,-0.4 4,-1.4 -6,-0.2 3,-0.2 -0.478 19.3-114.4 -86.6 159.2 23.2 98.5 170.2 23 23 A L H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.882 113.2 55.1 -58.8 -47.4 19.5 98.6 169.3 24 24 A P H > S+ 0 0 19 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.900 105.5 55.8 -56.9 -36.6 20.0 99.0 165.5 25 25 A E H > S+ 0 0 31 1,-0.2 4,-2.6 -3,-0.2 -2,-0.2 0.924 110.4 44.6 -59.2 -43.1 22.1 95.8 165.7 26 26 A W H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 5,-0.3 0.862 111.0 51.7 -69.1 -39.1 19.1 94.0 167.3 27 27 A V H X S+ 0 0 0 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.915 113.8 46.0 -64.7 -40.2 16.5 95.4 164.9 28 28 A b H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.945 113.8 47.9 -66.7 -48.3 18.7 94.2 162.0 29 29 A T H X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.938 111.2 48.1 -61.6 -48.9 19.3 90.8 163.5 30 30 A T H X>S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 6,-1.2 0.801 108.2 58.3 -64.5 -26.9 15.7 90.0 164.4 31 31 A F H X5S+ 0 0 84 -4,-1.3 4,-1.7 -5,-0.3 -1,-0.2 0.976 111.1 39.0 -65.5 -51.9 14.7 91.1 160.9 32 32 A H H <5S+ 0 0 32 -4,-2.0 256,-0.2 1,-0.2 -1,-0.2 0.591 120.6 49.6 -72.4 -9.0 17.0 88.6 159.3 33 33 A T H <5S- 0 0 38 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.891 137.0 -6.8 -94.1 -50.4 16.0 86.0 161.9 34 34 A S H ><5S- 0 0 18 -4,-2.6 3,-1.4 18,-0.2 -3,-0.2 0.298 84.7-117.7-130.9 1.4 12.3 86.1 162.1 35 35 A G T 3< -BC 41 55B 5 5,-2.1 5,-2.4 -2,-0.4 4,-0.4 -0.874 32.6 -28.1-120.9 144.1 10.6 79.9 168.6 51 51 A G T > 5S- 0 0 0 -11,-1.9 3,-1.3 -2,-0.3 -12,-0.2 0.110 97.1 -30.0 63.3-169.9 9.6 83.6 168.3 52 52 A L T 3 5S+ 0 0 0 28,-0.4 -16,-0.3 -14,-0.3 -18,-0.2 0.805 141.5 38.4 -52.6 -37.2 11.2 86.8 167.2 53 53 A F T 3 5S- 0 0 1 -3,-0.3 -1,-0.3 27,-0.1 -2,-0.2 0.449 104.6-128.2 -96.9 -1.1 14.7 85.6 168.3 54 54 A Q T < 5 - 0 0 32 -3,-1.3 2,-0.4 -4,-0.4 -3,-0.2 0.963 32.9-167.9 51.0 61.3 14.2 82.0 167.1 55 55 A I E < -C 50 0B 2 -5,-2.4 -5,-2.1 22,-0.1 -1,-0.2 -0.665 14.6-128.4 -81.5 127.3 15.2 80.5 170.4 56 56 A N E >> -C 49 0B 5 -2,-0.4 4,-1.2 -7,-0.2 5,-0.8 -0.479 3.0-137.3 -84.7 152.2 15.8 76.7 170.1 57 57 A N T 45S+ 0 0 0 -9,-1.7 6,-0.3 1,-0.2 12,-0.1 0.246 92.3 73.0 -87.3 8.6 14.3 73.9 172.3 58 58 A K T 45S+ 0 0 17 -10,-0.2 12,-1.4 11,-0.1 -1,-0.2 0.796 119.5 3.2 -89.1 -34.0 17.5 71.8 172.6 59 59 A I T 45S+ 0 0 8 -3,-0.4 13,-2.5 10,-0.2 -2,-0.2 0.777 130.1 40.0-117.5 -47.9 19.3 74.3 174.9 60 60 A W T <5S+ 0 0 0 -4,-1.2 13,-2.3 11,-0.3 15,-0.3 0.788 111.2 13.9 -85.4 -31.6 17.3 77.3 176.0 61 61 A c < - 0 0 0 -5,-0.8 10,-0.4 11,-0.1 2,-0.3 -0.890 67.4-111.5-142.4 172.0 13.7 76.2 176.6 62 62 A K B +d 76 0C 103 13,-2.4 15,-3.0 -2,-0.3 16,-0.4 -0.841 36.0 147.5-111.8 141.9 11.5 73.2 177.1 63 63 A D - 0 0 15 3,-0.5 6,-0.2 -2,-0.3 3,-0.1 -0.914 60.4 -84.8-153.8 178.7 8.7 71.7 175.0 64 64 A D S S+ 0 0 64 -2,-0.3 128,-0.2 1,-0.2 528,-0.0 0.718 120.7 59.6 -65.0 -22.1 7.2 68.2 174.2 65 65 A Q S S+ 0 0 16 1,-0.3 127,-0.3 126,-0.1 -1,-0.2 0.940 120.1 21.0 -73.3 -46.7 9.8 67.5 171.6 66 66 A N > + 0 0 15 1,-0.1 3,-1.7 -3,-0.1 -3,-0.5 -0.696 65.7 164.9-122.9 77.1 12.8 67.8 173.8 67 67 A P T 3 S+ 0 0 35 0, 0.0 -1,-0.1 0, 0.0 122,-0.1 0.778 79.7 56.7 -63.5 -24.6 11.6 67.2 177.4 68 68 A H T 3 S+ 0 0 41 121,-0.4 121,-0.1 120,-0.2 -6,-0.1 0.132 77.7 141.0 -93.8 22.7 15.3 66.7 178.4 69 69 A S < - 0 0 7 -3,-1.7 -10,-0.2 -6,-0.2 -11,-0.1 -0.286 65.7-120.5 -59.4 147.1 16.4 70.1 177.1 70 70 A S - 0 0 1 -12,-1.4 -11,-0.2 -9,-0.1 -1,-0.1 0.780 37.7-159.7 -62.5 -22.4 19.0 71.8 179.3 71 71 A N > + 0 0 26 -10,-0.4 3,-1.9 -13,-0.2 -11,-0.3 0.876 19.2 174.7 45.3 51.4 16.3 74.5 179.5 72 72 A I T 3 S+ 0 0 4 -13,-2.5 -12,-0.2 1,-0.3 -11,-0.1 0.849 75.7 52.7 -55.6 -38.2 18.8 77.2 180.5 73 73 A d T 3 S- 0 0 3 -13,-2.3 -1,-0.3 -14,-0.2 -12,-0.1 0.493 103.1-134.9 -80.3 -1.2 16.1 80.0 180.3 74 74 A N < + 0 0 124 -3,-1.9 2,-0.3 -14,-0.2 -13,-0.1 0.884 62.5 109.4 52.9 51.6 13.8 78.0 182.5 75 75 A I S S- 0 0 28 -15,-0.3 -13,-2.4 16,-0.0 2,-0.4 -0.980 75.8-100.6-153.6 156.3 10.7 78.4 180.5 76 76 A S B > -d 62 0C 44 -2,-0.3 3,-2.1 -15,-0.2 4,-0.2 -0.682 39.4-125.8 -78.3 132.1 8.3 76.5 178.3 77 77 A c G > S+ 0 0 0 -15,-3.0 3,-2.1 -2,-0.4 -1,-0.1 0.802 101.8 69.6 -52.1 -34.3 9.2 77.4 174.7 78 78 A D G > S+ 0 0 59 -16,-0.4 3,-1.6 1,-0.3 -1,-0.3 0.631 79.7 76.4 -65.9 -7.0 5.7 78.5 173.7 79 79 A K G X S+ 0 0 97 -3,-2.1 3,-0.7 1,-0.3 -1,-0.3 0.653 86.6 65.9 -71.1 -14.4 6.0 81.6 176.0 80 80 A F G < S+ 0 0 0 -3,-2.1 -28,-0.4 -4,-0.2 -1,-0.3 0.460 91.2 64.4 -84.5 -1.2 8.1 82.9 173.1 81 81 A L G < S+ 0 0 4 -3,-1.6 -1,-0.2 -30,-0.1 -2,-0.2 0.433 82.4 86.6-104.6 2.9 5.2 83.0 170.8 82 82 A D S < S- 0 0 64 -3,-0.7 -3,-0.0 2,-0.2 0, 0.0 -0.386 88.1-107.5 -91.1-179.9 2.9 85.6 172.4 83 83 A D S S+ 0 0 82 -2,-0.1 2,-1.0 1,-0.1 -1,-0.1 0.635 94.8 93.2 -84.0 -12.5 3.1 89.3 171.8 84 84 A D > - 0 0 90 1,-0.1 3,-0.6 -5,-0.1 4,-0.4 -0.728 56.7-170.7 -83.6 106.3 4.6 90.1 175.2 85 85 A L T 3> + 0 0 6 -2,-1.0 4,-2.3 1,-0.2 5,-0.2 0.338 60.7 98.1 -79.2 6.2 8.4 90.0 174.5 86 86 A T H 3> S+ 0 0 93 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.942 84.4 45.6 -60.0 -51.5 9.4 90.2 178.2 87 87 A D H <> S+ 0 0 31 -3,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.912 112.4 53.3 -57.7 -44.1 10.0 86.5 178.5 88 88 A D H > S+ 0 0 0 -4,-0.4 4,-2.7 -9,-0.3 -1,-0.2 0.905 107.9 49.5 -55.2 -49.7 11.9 86.5 175.3 89 89 A I H X S+ 0 0 13 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.873 105.7 55.7 -62.1 -41.6 14.3 89.3 176.4 90 90 A M H X S+ 0 0 62 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.941 112.9 43.6 -56.9 -47.3 15.1 87.6 179.7 91 91 A d H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 3,-0.3 0.924 110.1 54.1 -65.1 -46.3 16.2 84.5 177.8 92 92 A V H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.3 -1,-0.2 0.873 104.9 55.7 -56.1 -39.4 18.1 86.5 175.1 93 93 A K H X S+ 0 0 63 -4,-2.5 4,-2.2 1,-0.2 -1,-0.3 0.899 106.7 50.3 -62.6 -36.6 20.0 88.2 177.9 94 94 A K H X S+ 0 0 71 -4,-1.3 4,-2.1 -3,-0.3 -2,-0.2 0.900 110.3 49.3 -66.5 -40.2 21.0 84.8 179.2 95 95 A I H X>S+ 0 0 0 -4,-2.1 4,-3.4 1,-0.2 5,-1.2 0.918 111.3 49.7 -64.8 -43.3 22.2 83.7 175.7 96 96 A L H <5S+ 0 0 16 -4,-2.9 4,-0.3 3,-0.2 -2,-0.2 0.917 109.5 51.3 -61.4 -43.2 24.2 86.9 175.3 97 97 A D H <5S+ 0 0 100 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.928 121.9 32.7 -60.5 -43.9 25.8 86.3 178.7 98 98 A K H <5S+ 0 0 92 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.956 139.6 8.8 -80.5 -52.7 26.8 82.8 177.8 99 99 A V T <5S- 0 0 30 -4,-3.4 -3,-0.2 -5,-0.2 3,-0.2 0.715 94.5-130.2-105.7 -23.3 27.5 82.9 174.0 100 100 A G > < - 0 0 24 -5,-1.2 3,-1.2 -4,-0.3 4,-0.2 -0.212 39.9 -61.1 95.8 169.9 27.4 86.5 172.9 101 101 A I G > S+ 0 0 27 1,-0.3 3,-1.9 -82,-0.2 6,-0.3 0.823 124.9 66.1 -63.2 -32.1 25.7 88.4 170.1 102 102 A N G 3 S+ 0 0 40 1,-0.3 -1,-0.3 -3,-0.2 209,-0.1 0.252 70.8 92.3 -79.1 16.9 27.3 86.4 167.3 103 103 A Y G < S+ 0 0 27 -3,-1.2 2,-0.9 1,-0.2 -1,-0.3 0.816 80.8 66.6 -71.1 -30.9 25.5 83.3 168.5 104 104 A W S X> S- 0 0 9 -3,-1.9 3,-1.8 -4,-0.2 4,-1.0 -0.818 82.1-158.0 -90.1 102.7 23.1 84.7 165.9 105 105 A L H 3> S+ 0 0 4 -2,-0.9 4,-2.3 1,-0.3 5,-0.2 0.802 87.4 65.6 -55.3 -30.3 25.1 84.2 162.7 106 106 A A H 3>>S+ 0 0 3 1,-0.2 4,-3.3 2,-0.2 5,-0.7 0.834 96.4 58.0 -63.8 -29.2 23.0 86.8 160.9 107 107 A H H <>5S+ 0 0 6 -3,-1.8 4,-1.8 -6,-0.3 -1,-0.2 0.960 109.8 40.6 -64.6 -51.4 24.5 89.4 163.3 108 108 A K H <5S+ 0 0 87 -4,-1.0 4,-0.2 1,-0.2 -2,-0.2 0.891 123.3 42.8 -62.8 -38.7 28.0 88.7 162.4 109 109 A A H <5S+ 0 0 28 -4,-2.3 -2,-0.2 1,-0.1 -3,-0.2 0.910 135.4 4.6 -75.9 -46.0 27.1 88.4 158.7 110 110 A L H <5S+ 0 0 30 -4,-3.3 -3,-0.2 -5,-0.2 3,-0.2 0.473 124.1 52.4-122.8 -3.1 24.7 91.3 158.1 111 111 A b S < + 0 0 150 -2,-0.3 3,-1.1 1,-0.1 -1,-0.1 0.830 62.4 152.1 58.2 32.4 25.8 100.0 158.0 115 115 A L G > + 0 0 37 1,-0.2 3,-3.1 2,-0.1 -1,-0.1 0.647 41.3 95.7 -68.9 -13.4 23.3 99.9 160.9 116 116 A D G > S+ 0 0 121 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.809 77.5 58.9 -47.6 -35.3 22.2 103.4 160.1 117 117 A Q G < S+ 0 0 104 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.1 0.462 96.3 62.1 -77.6 2.2 19.3 102.0 158.1 118 118 A W G < S+ 0 0 26 -3,-3.1 -1,-0.3 -4,-0.1 2,-0.2 0.141 84.4 119.8-109.0 16.1 18.0 100.2 161.2 119 119 A L < - 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