==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 17-AUG-12 4GNY . COMPND 2 MOLECULE: BETA-LACTOGLOBULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR G.GUTIERREZ-MAGDALENO,A.TORRES-RIVERA,E.GARCIA-HERNANDEZ,A.R . 157 2 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8395.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 70.7 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 . 59 37.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 18 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 . 0 1 2 1 0 2 2 0 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 0 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 2 A I 0 0 91 0, 0.0 2,-0.5 0, 0.0 112,-0.0 0.000 360.0 360.0 360.0 -43.8 6.6 33.4 15.2 2 3 A V + 0 0 14 1,-0.1 103,-0.0 2,-0.0 105,-0.0 -0.601 360.0 174.9 -77.2 119.7 8.8 30.3 15.8 3 4 A T + 0 0 140 -2,-0.5 2,-0.4 2,-0.0 -1,-0.1 -0.192 51.9 90.9-119.2 34.9 6.7 27.5 17.3 4 5 A Q + 0 0 78 2,-0.0 2,-0.4 91,-0.0 91,-0.1 -0.957 48.2 161.8-127.3 116.0 9.3 24.8 17.2 5 6 A T - 0 0 60 -2,-0.4 2,-0.4 99,-0.0 89,-0.3 -0.954 42.1-104.2-128.4 154.9 11.5 24.5 20.2 6 7 A M > - 0 0 36 87,-2.4 3,-0.6 -2,-0.4 2,-0.3 -0.617 31.0-140.5 -75.7 127.5 13.6 21.6 21.4 7 8 A K T 3 S+ 0 0 193 -2,-0.4 -1,-0.0 1,-0.2 87,-0.0 -0.692 82.4 14.1 -84.9 144.5 12.2 19.6 24.3 8 9 A G T 3 S+ 0 0 74 -2,-0.3 -1,-0.2 1,-0.2 -2,-0.0 0.683 82.1 179.4 68.9 20.9 14.6 18.4 26.9 9 10 A L < - 0 0 17 -3,-0.6 2,-0.6 84,-0.1 -1,-0.2 -0.286 18.8-158.2 -55.3 131.4 17.5 20.7 25.9 10 11 A D > - 0 0 72 1,-0.1 3,-1.6 69,-0.0 4,-0.2 -0.915 4.4-166.3-110.7 99.5 20.6 20.4 28.0 11 12 A I G > S+ 0 0 21 -2,-0.6 3,-1.5 1,-0.3 4,-0.2 0.770 81.7 66.8 -64.3 -26.2 22.4 23.7 27.4 12 13 A Q G > S+ 0 0 88 1,-0.3 3,-1.1 2,-0.1 -1,-0.3 0.844 95.5 59.8 -60.3 -30.3 25.6 22.5 28.9 13 14 A K G < S+ 0 0 115 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.470 91.7 64.2 -82.4 -3.1 25.9 20.0 26.0 14 15 A V G < S+ 0 0 0 -3,-1.5 -1,-0.3 -4,-0.2 31,-0.2 0.388 77.7 128.2 -93.5 3.4 26.0 22.7 23.3 15 16 A A < + 0 0 43 -3,-1.1 2,-0.2 -4,-0.2 31,-0.2 -0.158 48.9 26.7 -59.7 148.5 29.3 24.0 24.6 16 17 A G E S+A 45 0A 21 29,-3.1 29,-2.5 2,-0.0 2,-0.2 -0.635 94.3 3.2 111.4-162.1 32.2 24.5 22.3 17 18 A T E +A 44 0A 80 -2,-0.2 2,-0.3 27,-0.2 27,-0.2 -0.460 55.7 169.5 -71.9 135.8 33.0 25.1 18.6 18 19 A W - 0 0 4 25,-1.5 2,-0.4 -2,-0.2 102,-0.2 -0.969 21.6-145.7-141.4 158.2 30.3 25.7 16.0 19 20 A Y E -B 119 0A 44 100,-2.5 100,-2.1 -2,-0.3 2,-1.4 -0.987 19.7-129.0-123.5 134.8 30.2 26.8 12.4 20 21 A S E +B 118 0A 0 22,-0.5 98,-0.2 -2,-0.4 3,-0.1 -0.640 35.7 170.0 -81.7 92.2 27.4 28.9 10.8 21 22 A L E + 0 0 1 96,-1.9 126,-2.6 -2,-1.4 2,-0.3 0.874 63.4 3.4 -76.5 -37.0 26.8 26.6 7.8 22 23 A A E -BC 117 146A 0 95,-1.2 95,-2.4 124,-0.2 2,-0.3 -0.988 62.1-170.4-147.8 152.6 23.6 28.3 6.6 23 24 A M E -BC 116 145A 1 122,-2.4 122,-2.9 -2,-0.3 2,-0.3 -0.985 2.8-176.9-141.0 150.9 21.5 31.3 7.6 24 25 A A E -BC 115 144A 1 91,-2.5 91,-2.8 -2,-0.3 2,-0.3 -0.988 4.3-168.0-146.0 154.2 18.1 32.7 6.6 25 26 A A E -BC 114 143A 0 118,-2.2 117,-3.0 -2,-0.3 118,-1.6 -0.974 31.4-124.6-145.4 160.7 16.0 35.7 7.5 26 27 A S S S+ 0 0 8 87,-2.4 2,-0.4 -2,-0.3 88,-0.1 0.770 100.7 40.4 -72.7 -30.6 12.5 37.2 7.1 27 28 A D S > S- 0 0 74 86,-0.3 3,-1.9 1,-0.1 4,-0.4 -0.984 77.0-135.6-125.7 132.4 13.7 40.3 5.4 28 29 A I G >> S+ 0 0 85 -2,-0.4 3,-1.8 1,-0.3 4,-1.8 0.873 103.2 63.4 -49.7 -42.8 16.4 40.5 2.8 29 30 A S G 34 S+ 0 0 86 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.647 89.0 69.7 -63.1 -15.5 18.0 43.5 4.4 30 31 A L G <4 S+ 0 0 17 -3,-1.9 8,-1.9 1,-0.2 -1,-0.3 0.750 122.2 11.1 -75.1 -22.7 18.8 41.5 7.6 31 32 A L T <4 S+ 0 0 1 -3,-1.8 -2,-0.2 -4,-0.4 5,-0.2 0.416 105.7 94.2-128.4 -4.8 21.5 39.4 5.7 32 33 A D S < S+ 0 0 100 -4,-1.8 -3,-0.1 -5,-0.2 -2,-0.1 0.972 75.4 57.2 -62.0 -68.9 21.9 41.3 2.4 33 34 A A S > S- 0 0 51 -4,-0.3 3,-1.5 1,-0.1 6,-0.1 -0.169 88.4-118.3 -59.2 157.0 24.9 43.7 3.2 34 35 A Q T 3 S+ 0 0 94 1,-0.3 26,-0.5 25,-0.0 -1,-0.1 0.798 122.2 41.1 -65.6 -27.4 28.2 42.2 4.3 35 36 A S T 3 S+ 0 0 65 24,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.015 87.4 152.0-107.2 24.5 27.7 44.3 7.4 36 37 A A X - 0 0 3 -3,-1.5 3,-1.4 -5,-0.2 24,-0.2 -0.188 57.0-110.5 -57.5 150.1 23.9 43.4 7.7 37 38 A P T 3 S+ 0 0 85 0, 0.0 -6,-0.1 0, 0.0 -7,-0.1 0.805 113.2 31.9 -59.1 -36.4 22.5 43.5 11.2 38 39 A L T 3 S+ 0 0 38 -8,-1.9 2,-1.6 1,-0.1 -7,-0.1 0.262 84.7 113.2-107.9 13.1 21.9 39.7 11.6 39 40 A R < + 0 0 44 -3,-1.4 21,-0.6 -9,-0.3 2,-0.3 -0.662 46.5 149.8 -84.1 85.4 24.8 38.5 9.5 40 41 A V E - D 0 59A 16 -2,-1.6 2,-0.6 19,-0.1 19,-0.2 -0.917 41.1-144.0-126.6 148.2 26.8 37.0 12.3 41 42 A Y E - D 0 58A 4 17,-2.5 17,-2.5 -2,-0.3 2,-0.2 -0.944 20.0-136.0-120.6 109.5 29.2 34.0 12.3 42 43 A V E + D 0 57A 10 -2,-0.6 -22,-0.5 15,-0.2 15,-0.3 -0.441 27.5 170.5 -70.8 135.2 29.1 31.9 15.4 43 44 A E E - 0 0 75 13,-3.0 -25,-1.5 1,-0.3 2,-0.3 0.757 60.9 -7.2-107.5 -48.6 32.5 30.8 16.8 44 45 A E E -AD 17 56A 54 12,-1.6 12,-2.8 -27,-0.2 2,-0.5 -0.993 49.8-141.6-158.4 140.7 31.8 29.2 20.2 45 46 A L E -AD 16 55A 12 -29,-2.5 -29,-3.1 -2,-0.3 10,-0.2 -0.931 17.3-175.7-105.6 132.1 29.1 28.6 22.8 46 47 A K E - D 0 54A 77 8,-3.4 8,-2.2 -2,-0.5 -34,-0.1 -0.747 7.8-162.3-132.3 83.0 30.0 28.9 26.4 47 48 A P E - D 0 53A 21 0, 0.0 6,-0.2 0, 0.0 -2,-0.0 -0.324 16.5-133.2 -58.7 146.2 27.1 28.0 28.8 48 49 A T > - 0 0 29 4,-2.5 3,-2.0 1,-0.1 -36,-0.0 -0.606 23.8-109.9 -95.3 162.4 27.6 29.2 32.4 49 50 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -37,-0.1 0.838 121.6 59.6 -61.2 -28.7 27.0 26.9 35.4 50 51 A E T 3 S- 0 0 125 1,-0.1 24,-0.1 24,-0.0 0, 0.0 0.440 123.9-106.4 -77.9 -1.4 23.9 29.1 36.1 51 52 A G S < S+ 0 0 14 -3,-2.0 2,-0.1 1,-0.3 -40,-0.1 0.615 75.9 132.2 87.2 12.0 22.6 28.1 32.7 52 53 A D - 0 0 43 21,-0.1 -4,-2.5 22,-0.1 2,-0.5 -0.454 54.0-122.9 -81.4 169.4 23.1 31.4 30.8 53 54 A L E -DE 47 72A 9 19,-3.2 19,-3.0 -6,-0.2 2,-0.4 -0.918 15.1-159.6-127.0 109.8 24.8 31.3 27.4 54 55 A E E -DE 46 71A 43 -8,-2.2 -8,-3.4 -2,-0.5 2,-0.5 -0.719 16.8-161.3 -81.8 129.9 27.9 33.1 26.5 55 56 A I E -DE 45 70A 16 15,-3.9 15,-3.4 -2,-0.4 2,-0.5 -0.959 11.7-164.7-120.8 123.7 28.3 33.5 22.7 56 57 A L E +DE 44 69A 30 -12,-2.8 -13,-3.0 -2,-0.5 -12,-1.6 -0.910 28.2 152.7-100.3 130.1 31.5 34.3 20.8 57 58 A L E -DE 42 68A 11 11,-2.1 11,-2.8 -2,-0.5 2,-0.3 -0.960 38.1-123.2-148.9 167.7 30.9 35.4 17.2 58 59 A Q E -DE 41 67A 14 -17,-2.5 -17,-2.5 -2,-0.3 2,-0.3 -0.884 24.8-178.4-113.5 150.6 32.3 37.5 14.3 59 60 A K E -DE 40 66A 16 7,-2.1 7,-3.1 -2,-0.3 2,-0.6 -0.994 30.8-119.9-147.1 136.9 30.5 40.3 12.6 60 61 A W E + E 0 65A 50 -21,-0.6 2,-0.3 -26,-0.5 5,-0.2 -0.714 47.6 161.5 -77.8 121.0 31.5 42.6 9.7 61 62 A E E > - E 0 64A 76 3,-3.0 3,-1.3 -2,-0.6 -2,-0.1 -0.982 56.1 -5.7-147.9 129.1 31.4 46.1 11.1 62 63 A N T 3 S- 0 0 159 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.855 130.3 -47.7 56.6 39.0 33.0 49.4 9.9 63 64 A G T 3 S+ 0 0 59 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.433 123.0 70.0 88.4 0.6 34.9 47.7 7.0 64 65 A E E < S-E 61 0A 132 -3,-1.3 -3,-3.0 -5,-0.1 2,-0.6 -0.939 86.8 -91.7-143.6 167.7 36.4 44.8 9.0 65 66 A a E -E 60 0A 33 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.720 48.5-165.4 -79.3 119.5 35.7 41.5 10.7 66 67 A A E -E 59 0A 26 -7,-3.1 -7,-2.1 -2,-0.6 2,-0.4 -0.821 17.5-124.1-110.3 149.6 35.1 42.3 14.4 67 68 A Q E -E 58 0A 108 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.737 29.2-171.2 -89.3 137.3 35.0 40.0 17.4 68 69 A K E -E 57 0A 71 -11,-2.8 -11,-2.1 -2,-0.4 2,-0.4 -0.952 15.3-160.1-127.6 147.5 31.9 40.1 19.5 69 70 A K E -E 56 0A 135 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.979 17.9-174.3-127.7 119.5 31.0 38.6 22.9 70 71 A I E -E 55 0A 49 -15,-3.4 -15,-3.9 -2,-0.4 2,-0.6 -0.897 16.0-151.6-115.6 137.6 27.3 38.2 23.6 71 72 A I E -E 54 0A 58 -2,-0.4 13,-1.6 13,-0.3 2,-0.6 -0.953 8.8-167.9-107.4 119.9 25.5 37.0 26.8 72 73 A A E -EF 53 83A 0 -19,-3.0 -19,-3.2 -2,-0.6 11,-0.3 -0.932 17.8-142.7-102.1 120.0 22.1 35.4 26.3 73 74 A E E - F 0 82A 68 9,-3.3 9,-2.6 -2,-0.6 -21,-0.1 -0.576 17.0-111.6 -87.2 144.2 20.3 35.0 29.6 74 75 A K E - F 0 81A 122 -2,-0.2 2,-0.2 7,-0.2 7,-0.2 -0.261 29.9-164.9 -67.8 157.9 18.2 32.0 30.5 75 76 A T - 0 0 50 5,-0.9 5,-0.1 2,-0.6 -1,-0.0 -0.668 44.5 -84.1-125.0-175.5 14.4 32.2 30.8 76 77 A K S S+ 0 0 201 -2,-0.2 3,-0.1 3,-0.0 5,-0.1 0.624 114.3 75.0 -68.9 -11.1 11.9 29.8 32.3 77 78 A I S > S- 0 0 90 3,-0.3 3,-1.9 1,-0.1 -2,-0.6 -0.916 78.8-145.7-104.1 122.5 11.8 27.9 29.1 78 79 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -71,-0.1 0.826 98.1 49.4 -57.2 -34.4 15.0 25.8 28.7 79 80 A A T 3 S+ 0 0 2 -73,-0.2 14,-2.8 -3,-0.1 2,-0.5 0.419 101.0 77.1 -85.6 1.7 15.1 26.4 24.9 80 81 A V E < + G 0 92A 7 -3,-1.9 -5,-0.9 12,-0.2 2,-0.3 -0.945 53.7 178.7-124.0 129.4 14.6 30.2 25.0 81 82 A F E -FG 74 91A 4 10,-3.0 10,-2.8 -2,-0.5 2,-0.5 -0.844 19.1-140.1-123.3 160.0 17.2 32.8 25.9 82 83 A K E -FG 73 90A 88 -9,-2.6 -9,-3.3 -2,-0.3 2,-0.5 -0.979 16.0-137.1-124.4 121.4 17.1 36.6 26.0 83 84 A I E -F 72 0A 30 6,-2.5 2,-1.3 -2,-0.5 5,-0.2 -0.659 18.0-129.8 -81.0 125.0 20.0 38.7 24.8 84 85 A D + 0 0 97 -13,-1.6 2,-0.3 -2,-0.5 -13,-0.3 -0.645 68.9 100.3 -76.1 97.3 20.9 41.6 27.1 85 86 A A S > S- 0 0 58 -2,-1.3 3,-1.1 -15,-0.1 -15,-0.0 -0.840 89.9 -51.6-158.8-170.9 21.0 44.5 24.6 86 87 A L T 3 S+ 0 0 150 -2,-0.3 -2,-0.0 1,-0.2 -1,-0.0 0.829 129.9 17.7 -43.7 -61.8 18.6 47.3 23.7 87 88 A N T 3 S- 0 0 113 -3,-0.0 -1,-0.2 0, 0.0 -3,-0.1 0.165 97.3-118.3-109.6 19.0 15.3 45.4 22.9 88 89 A E < - 0 0 77 -3,-1.1 -5,-0.2 -5,-0.2 -4,-0.1 0.593 37.4-160.2 65.9 16.8 15.9 42.0 24.6 89 90 A N - 0 0 62 -7,-0.2 -6,-2.5 1,-0.1 2,-0.3 0.168 14.9-118.1 -32.6 138.4 15.7 39.9 21.4 90 91 A K E -GH 82 107A 71 17,-2.2 17,-2.4 -8,-0.2 2,-0.5 -0.653 16.0-155.8 -94.9 140.0 14.9 36.2 21.9 91 92 A V E -GH 81 106A 12 -10,-2.8 -10,-3.0 -2,-0.3 2,-0.4 -0.952 15.4-167.9-109.4 127.7 17.1 33.2 20.9 92 93 A L E -GH 80 105A 4 13,-2.9 13,-2.4 -2,-0.5 2,-0.7 -0.975 15.5-144.8-121.2 126.9 15.2 30.0 20.4 93 94 A V E + H 0 104A 7 -14,-2.8 -87,-2.4 -2,-0.4 11,-0.2 -0.819 19.1 179.1 -90.7 114.2 16.8 26.6 20.1 94 95 A L E - 0 0 5 9,-2.2 2,-0.3 -2,-0.7 10,-0.2 0.873 60.2 -21.2 -82.2 -40.6 14.8 24.6 17.6 95 96 A D E + H 0 103A 36 8,-1.3 8,-3.2 -89,-0.1 -1,-0.3 -0.956 59.2 167.9-170.0 142.2 16.6 21.3 17.5 96 97 A T E - H 0 102A 7 -2,-0.3 6,-0.2 6,-0.2 -82,-0.0 -0.978 29.1-164.1-156.5 157.8 20.1 19.8 18.2 97 98 A D - 0 0 43 4,-1.6 2,-2.3 -2,-0.3 5,-0.1 0.146 42.0-136.9-118.8 10.7 21.9 16.4 18.6 98 99 A Y S S+ 0 0 38 3,-0.7 4,-0.1 1,-0.2 0, 0.0 -0.081 91.9 63.6 67.5 -39.4 24.8 18.2 20.3 99 100 A K S S+ 0 0 145 -2,-2.3 -1,-0.2 2,-0.1 3,-0.1 0.586 120.1 6.8 -95.2 -12.5 27.5 16.3 18.4 100 101 A K S S+ 0 0 98 1,-0.4 20,-2.0 19,-0.1 2,-0.3 0.626 118.6 11.4-132.8 -57.1 26.7 17.4 14.8 101 102 A Y E - 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