==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT 29-AUG-98 2BLG . COMPND 2 MOLECULE: BETA-LACTOGLOBULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.Y.QIN,M.C.BEWLEY,L.K.CREAMER,H.M.BAKER,E.N.BAKER, . 162 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8796.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 72.2 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 36.4 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 . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 25 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 8.6 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 2 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 1 2 0 2 2 1 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 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 1 A L 0 0 134 0, 0.0 109,-0.0 0, 0.0 107,-0.0 0.000 360.0 360.0 360.0 3.6 -19.9 13.5 18.1 2 2 A I + 0 0 49 1,-0.1 2,-1.4 2,-0.1 3,-0.0 0.806 360.0 91.9 -71.7 -32.9 -20.6 14.0 21.8 3 3 A V - 0 0 9 1,-0.2 -1,-0.1 103,-0.0 103,-0.0 -0.526 60.3-172.9 -68.0 95.3 -18.1 16.8 21.9 4 4 A T + 0 0 129 -2,-1.4 2,-0.5 138,-0.0 -1,-0.2 0.546 62.3 77.1 -67.9 -14.5 -20.5 19.6 21.2 5 5 A Q + 0 0 72 134,-0.1 2,-0.3 88,-0.0 91,-0.1 -0.919 52.5 152.4-106.9 128.4 -17.6 22.1 20.9 6 6 A T - 0 0 62 -2,-0.5 2,-0.3 89,-0.1 89,-0.3 -0.949 44.7-100.9-143.4 154.7 -15.5 22.2 17.8 7 7 A M - 0 0 40 87,-2.1 3,-0.4 -2,-0.3 2,-0.4 -0.649 25.8-139.6 -88.2 138.9 -13.5 25.1 16.4 8 8 A K S S+ 0 0 197 -2,-0.3 -1,-0.0 1,-0.2 87,-0.0 -0.745 81.7 14.6 -92.0 139.8 -14.8 27.2 13.5 9 9 A G S S- 0 0 64 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.907 78.4-173.4 65.8 48.3 -12.3 28.3 10.8 10 10 A L - 0 0 22 -3,-0.4 2,-0.8 1,-0.1 -1,-0.2 -0.551 15.4-158.4 -77.8 131.7 -9.4 26.0 11.7 11 11 A D >> - 0 0 72 -2,-0.3 3,-1.5 1,-0.1 4,-0.7 -0.830 3.4-167.4-111.1 88.4 -6.1 26.6 9.8 12 12 A I T 34 S+ 0 0 20 -2,-0.8 3,-0.2 1,-0.3 -1,-0.1 0.678 83.5 65.4 -49.3 -21.4 -4.3 23.3 10.2 13 13 A Q T >4 S+ 0 0 108 1,-0.2 3,-1.3 2,-0.1 -1,-0.3 0.925 96.8 54.8 -69.0 -43.0 -1.1 25.0 8.9 14 14 A K T <4 S+ 0 0 120 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.679 96.1 64.2 -64.9 -23.8 -0.9 27.3 12.0 15 15 A V T 3< S+ 0 0 3 -4,-0.7 -1,-0.3 -3,-0.2 31,-0.2 0.290 78.0 120.9 -86.0 12.4 -1.0 24.4 14.5 16 16 A A < + 0 0 41 -3,-1.3 2,-0.3 29,-0.1 31,-0.2 -0.472 48.3 45.1 -75.7 148.4 2.3 23.1 13.3 17 17 A G E S-A 46 0A 22 29,-1.9 29,-2.3 -2,-0.1 2,-0.3 -0.822 92.8 -20.0 122.6-165.5 5.3 22.9 15.6 18 18 A T E +A 45 0A 77 -2,-0.3 2,-0.3 27,-0.2 27,-0.2 -0.608 54.6 176.9 -87.9 142.8 6.1 21.7 19.1 19 19 A W - 0 0 3 25,-1.5 2,-0.4 -2,-0.3 105,-0.2 -0.961 20.2-138.2-139.4 160.6 3.4 21.2 21.9 20 20 A Y E -B 123 0A 50 103,-2.6 103,-1.8 -2,-0.3 2,-1.4 -0.977 18.3-130.3-125.6 129.5 3.3 20.0 25.5 21 21 A S E +B 122 0A 0 22,-0.5 101,-0.2 -2,-0.4 3,-0.1 -0.679 37.6 167.4 -77.0 94.5 0.6 17.8 27.0 22 22 A L E + 0 0 0 99,-2.4 129,-2.3 -2,-1.4 2,-0.3 0.835 62.7 10.8 -78.6 -36.2 -0.1 20.0 30.1 23 23 A A E -BC 121 150A 0 98,-1.2 98,-2.2 127,-0.2 2,-0.3 -0.994 61.3-168.6-146.9 148.7 -3.3 18.2 31.1 24 24 A M E -BC 120 149A 0 125,-2.5 125,-2.7 -2,-0.3 2,-0.3 -0.956 4.9-179.1-133.6 155.6 -5.2 15.1 30.2 25 25 A A E -BC 119 148A 0 94,-2.0 94,-2.6 -2,-0.3 2,-0.3 -0.984 3.3-174.0-154.2 146.2 -8.7 13.9 31.1 26 26 A A E -BC 118 147A 0 121,-1.9 120,-2.9 -2,-0.3 121,-1.1 -0.983 32.7-129.4-144.4 156.1 -10.7 10.8 30.3 27 27 A S S S+ 0 0 5 90,-2.1 2,-0.4 -2,-0.3 91,-0.1 0.781 99.0 46.1 -74.5 -27.2 -14.2 9.3 30.7 28 28 A D S >> S- 0 0 66 89,-0.3 3,-1.4 1,-0.1 4,-0.6 -0.961 74.5-141.4-121.7 135.7 -12.8 6.1 32.2 29 29 A I H >> S+ 0 0 88 -2,-0.4 4,-1.7 1,-0.3 3,-1.1 0.890 100.0 62.6 -59.2 -41.8 -10.2 5.9 34.9 30 30 A S H 34 S+ 0 0 68 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.638 92.8 66.1 -60.9 -16.9 -8.6 2.8 33.3 31 31 A L H <4 S+ 0 0 24 -3,-1.4 8,-1.3 1,-0.1 -1,-0.2 0.853 121.6 15.0 -73.6 -35.9 -7.7 4.8 30.1 32 32 A L H << S+ 0 0 0 -3,-1.1 -2,-0.2 -4,-0.6 5,-0.2 0.365 98.2 112.8-118.6 1.7 -5.2 7.1 31.9 33 33 A D S < S+ 0 0 104 -4,-1.7 -3,-0.1 -5,-0.2 -2,-0.1 0.901 74.6 22.1 -39.5 -87.4 -4.7 5.1 35.1 34 34 A A S > S- 0 0 47 -4,-0.2 3,-1.2 1,-0.1 6,-0.0 -0.262 84.4-106.0 -81.8 177.7 -1.1 3.8 35.1 35 35 A Q T 3 S+ 0 0 118 1,-0.3 26,-0.5 -2,-0.1 -1,-0.1 0.728 125.0 52.4 -73.4 -23.6 1.9 5.1 33.2 36 36 A S T 3 S+ 0 0 77 24,-0.1 -1,-0.3 3,-0.0 -3,-0.1 0.079 83.4 139.5 -97.2 16.8 1.5 2.1 31.0 37 37 A A X - 0 0 5 -3,-1.2 3,-1.9 -5,-0.2 24,-0.2 -0.401 63.6-115.9 -65.4 143.4 -2.2 2.9 30.3 38 38 A P T 3 S+ 0 0 78 0, 0.0 -6,-0.1 0, 0.0 -7,-0.1 0.831 111.6 32.4 -46.6 -49.6 -3.4 2.4 26.8 39 39 A L T 3 S+ 0 0 50 -8,-1.3 2,-1.5 -9,-0.2 -7,-0.1 0.070 82.0 116.9-103.0 26.4 -4.3 6.1 26.1 40 40 A R < + 0 0 27 -3,-1.9 21,-0.5 21,-0.1 2,-0.3 -0.707 44.4 153.6 -91.5 81.2 -1.6 7.7 28.2 41 41 A V - 0 0 10 -2,-1.5 2,-0.5 19,-0.1 19,-0.2 -0.888 36.5-145.1-114.9 148.2 0.2 9.4 25.3 42 42 A Y E - D 0 59A 4 17,-2.3 17,-2.0 -2,-0.3 2,-0.2 -0.945 15.9-134.5-118.6 118.2 2.3 12.5 25.2 43 43 A V E + D 0 58A 4 -2,-0.5 -22,-0.5 15,-0.2 15,-0.3 -0.460 28.1 168.6 -71.9 134.3 2.3 14.8 22.2 44 44 A E E - 0 0 63 13,-3.4 -25,-1.5 1,-0.4 2,-0.3 0.737 62.9 -7.5-109.9 -49.7 5.6 16.0 20.9 45 45 A E E -AD 18 57A 63 12,-1.5 12,-3.2 -27,-0.2 2,-0.6 -0.998 50.3-140.2-155.3 146.8 4.9 17.7 17.6 46 46 A L E -AD 17 56A 12 -29,-2.3 -29,-1.9 -2,-0.3 10,-0.2 -0.959 19.9-173.8-110.6 118.6 2.1 18.3 15.1 47 47 A K E - D 0 55A 86 8,-3.3 8,-3.6 -2,-0.6 2,-0.3 -0.890 8.1-158.7-115.3 99.0 3.2 18.0 11.4 48 48 A P E - D 0 54A 27 0, 0.0 6,-0.3 0, 0.0 5,-0.1 -0.592 12.7-137.7 -79.5 136.7 0.4 18.9 8.9 49 49 A T > - 0 0 25 4,-1.7 3,-1.6 -2,-0.3 -2,-0.0 -0.598 18.7-120.8 -89.9 152.7 0.9 17.6 5.3 50 50 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -37,-0.0 0.796 111.7 70.1 -62.7 -21.5 0.2 19.7 2.2 51 51 A E T 3 S- 0 0 159 1,-0.1 24,-0.2 24,-0.0 3,-0.1 0.222 123.3-102.8 -78.0 13.1 -2.4 17.0 1.4 52 52 A G S < S+ 0 0 21 -3,-1.6 -1,-0.1 1,-0.2 -40,-0.1 0.259 85.2 119.3 86.1 -14.5 -4.5 18.3 4.2 53 53 A D - 0 0 38 21,-0.1 -4,-1.7 22,-0.1 2,-0.4 -0.086 55.9-131.8 -74.4-178.4 -3.7 15.4 6.7 54 54 A L E -DE 48 73A 7 19,-2.5 19,-3.5 -6,-0.3 2,-0.4 -0.927 6.7-152.3-144.7 114.3 -2.0 15.8 10.1 55 55 A E E -DE 47 72A 58 -8,-3.6 -8,-3.3 -2,-0.4 2,-0.5 -0.706 13.3-156.1 -85.5 134.3 1.0 13.8 11.4 56 56 A I E -DE 46 71A 17 15,-3.9 15,-2.6 -2,-0.4 2,-0.6 -0.959 2.5-158.4-116.3 118.3 1.1 13.5 15.2 57 57 A L E +DE 45 70A 22 -12,-3.2 -13,-3.4 -2,-0.5 -12,-1.5 -0.877 30.0 159.2 -95.0 120.3 4.5 12.8 16.9 58 58 A L E -DE 43 69A 5 11,-2.8 11,-2.5 -2,-0.6 2,-0.3 -0.873 32.6-131.9-140.2 170.8 3.9 11.3 20.3 59 59 A Q E +DE 42 68A 0 -17,-2.0 -17,-2.3 -2,-0.3 2,-0.3 -0.871 19.6 175.8-121.3 158.3 5.5 9.3 23.2 60 60 A K E - E 0 67A 39 7,-1.9 7,-2.2 -2,-0.3 2,-1.1 -0.956 35.0-122.6-164.3 137.3 4.2 6.3 25.2 61 61 A W E + E 0 66A 61 -26,-0.5 5,-0.2 -21,-0.5 -21,-0.1 -0.780 48.0 155.5 -83.4 100.7 5.6 4.0 27.9 62 62 A E - 0 0 93 3,-1.4 -1,-0.2 -2,-1.1 4,-0.1 0.885 68.3 -6.0 -92.0 -78.6 5.2 0.6 26.2 63 63 A N S S- 0 0 146 2,-0.3 -2,-0.1 0, 0.0 3,-0.0 0.903 121.0 -57.7 -80.2 -88.9 7.7 -1.9 27.6 64 64 A D S S+ 0 0 129 -28,-0.0 2,-0.3 0, 0.0 -3,-0.1 0.004 118.4 85.9-144.5 14.8 10.0 -0.2 30.0 65 65 A E S S- 0 0 150 -5,-0.1 -3,-1.4 0, 0.0 2,-1.2 -0.881 84.7-116.3-120.5 151.9 11.2 2.3 27.4 66 66 A a E -E 61 0A 33 -2,-0.3 2,-0.2 -5,-0.2 -5,-0.2 -0.795 43.1-160.7 -90.2 94.0 9.7 5.6 26.4 67 67 A A E -E 60 0A 32 -7,-2.2 -7,-1.9 -2,-1.2 2,-0.6 -0.578 12.7-135.3 -81.4 142.4 8.9 4.8 22.8 68 68 A Q E -E 59 0A 127 -2,-0.2 2,-0.3 -9,-0.2 -9,-0.3 -0.877 26.6-174.9 -99.2 117.5 8.2 7.5 20.1 69 69 A K E -E 58 0A 89 -11,-2.5 -11,-2.8 -2,-0.6 2,-0.5 -0.781 15.8-147.3-110.6 157.2 5.2 6.7 18.0 70 70 A K E -E 57 0A 110 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.965 14.2-172.6-129.3 111.8 3.9 8.6 14.9 71 71 A I E -E 56 0A 41 -15,-2.6 -15,-3.9 -2,-0.5 2,-0.5 -0.823 12.5-146.6-102.8 141.8 0.2 8.6 14.2 72 72 A I E -E 55 0A 54 -2,-0.3 13,-0.7 -17,-0.2 2,-0.6 -0.945 6.4-156.7-112.4 125.7 -1.3 10.1 11.0 73 73 A A E -EF 54 84A 0 -19,-3.5 -19,-2.5 -2,-0.5 2,-0.3 -0.914 9.5-148.8-104.7 115.3 -4.6 11.9 11.1 74 74 A E E - F 0 83A 96 9,-1.8 9,-2.3 -2,-0.6 -21,-0.1 -0.614 21.1-117.2 -81.8 139.0 -6.5 12.0 7.8 75 75 A K E - F 0 82A 132 -2,-0.3 2,-0.2 7,-0.2 7,-0.2 -0.350 28.8-161.8 -73.4 156.7 -8.7 15.0 7.2 76 76 A T - 0 0 30 5,-0.9 -1,-0.1 2,-0.7 5,-0.0 -0.529 42.9 -79.5-122.6-169.4 -12.5 14.7 6.7 77 77 A K S S+ 0 0 208 -2,-0.2 5,-0.0 2,-0.0 -2,-0.0 0.848 118.4 66.7 -63.3 -37.5 -15.3 16.9 5.3 78 78 A I S > S- 0 0 90 1,-0.1 3,-1.0 3,-0.1 -2,-0.7 -0.783 82.1-144.3 -85.8 126.4 -15.3 18.9 8.6 79 79 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -67,-0.1 0.639 96.7 50.8 -67.0 -14.1 -12.0 20.8 8.9 80 80 A A T 3 S+ 0 0 2 -73,-0.1 14,-2.1 13,-0.0 2,-0.4 0.569 99.7 74.2 -98.8 -11.0 -11.9 20.4 12.7 81 81 A V E < - G 0 93A 16 -3,-1.0 -5,-0.9 12,-0.2 2,-0.3 -0.843 58.3-175.8-106.7 142.3 -12.5 16.6 12.7 82 82 A F E -FG 75 92A 3 10,-2.1 10,-2.5 -2,-0.4 2,-0.6 -0.936 21.5-132.5-134.5 154.8 -9.9 13.9 11.8 83 83 A K E -FG 74 91A 112 -9,-2.3 -9,-1.8 -2,-0.3 8,-0.3 -0.930 24.6-144.1-109.7 115.2 -10.0 10.1 11.4 84 84 A I E -FG 73 90A 23 6,-2.5 2,-1.2 -2,-0.6 6,-0.6 -0.470 26.6 -93.7 -83.2 156.5 -7.1 8.3 13.1 85 85 A D S S+ 0 0 65 -13,-0.7 2,-0.3 -2,-0.1 3,-0.1 -0.505 79.6 80.1 -72.9 85.0 -5.5 5.1 11.7 86 86 A A S S- 0 0 57 -2,-1.2 4,-0.3 2,-0.3 0, 0.0 -0.958 89.2 -93.6-171.5 164.1 -6.9 1.9 13.0 87 87 A L S S+ 0 0 155 -2,-0.3 -1,-0.2 2,-0.1 2,-0.1 0.972 106.7 90.3 -45.0 -56.6 -9.8 -0.4 12.5 88 88 A N S S- 0 0 65 1,-0.2 2,-2.2 -3,-0.1 -2,-0.3 -0.219 87.2-135.7 -47.5 103.1 -11.3 1.6 15.3 89 89 A E + 0 0 155 -2,-0.1 21,-1.6 -4,-0.1 2,-0.4 -0.556 44.1 173.6 -68.2 81.5 -13.0 4.3 13.3 90 90 A N E -GH 84 109A 28 -2,-2.2 -6,-2.5 -6,-0.6 2,-0.3 -0.826 21.1-148.6-100.7 144.4 -11.7 6.9 15.7 91 91 A K E -GH 83 108A 46 17,-2.1 17,-2.2 -2,-0.4 2,-0.5 -0.797 6.8-152.9-115.6 148.5 -12.0 10.7 15.5 92 92 A V E -GH 82 107A 8 -10,-2.5 -10,-2.1 -2,-0.3 2,-0.5 -0.992 20.3-168.2-117.5 115.8 -9.7 13.5 16.6 93 93 A L E -GH 81 106A 4 13,-2.7 13,-2.3 -2,-0.5 2,-0.7 -0.939 14.1-147.5-112.6 129.9 -11.7 16.7 17.3 94 94 A V E - 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