==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIPOCALIN 11-NOV-98 1B0O . COMPND 2 MOLECULE: BETA-LACTOGLOBULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR S.-Y.WU,L.SAWYER . 161 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8305.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 70.2 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 . 58 36.0 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 . 3 1.9 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 . 21 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 8.1 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 1 2 0 3 1 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 2 A I 0 0 79 0, 0.0 2,-0.3 0, 0.0 115,-0.0 0.000 360.0 360.0 360.0 -34.4 1.3 23.8 40.5 2 3 A V - 0 0 20 1,-0.2 137,-0.1 140,-0.0 105,-0.0 -0.472 360.0-172.0 -62.4 125.3 5.0 23.1 40.2 3 4 A T + 0 0 132 -2,-0.3 2,-0.4 1,-0.0 -1,-0.2 0.694 53.9 61.7-101.6 -23.2 6.4 26.5 39.5 4 5 A Q + 0 0 80 134,-0.1 2,-0.3 88,-0.1 91,-0.1 -0.852 54.7 173.7-112.1 146.8 10.2 26.1 38.7 5 6 A T - 0 0 64 -2,-0.4 2,-0.6 89,-0.0 89,-0.3 -0.941 38.6 -94.6-140.6 163.8 11.8 24.1 35.9 6 7 A M > - 0 0 39 87,-2.2 3,-0.7 -2,-0.3 89,-0.1 -0.712 37.7-140.5 -89.0 119.5 15.3 23.5 34.6 7 8 A K T 3 S+ 0 0 196 -2,-0.6 -1,-0.0 1,-0.2 87,-0.0 -0.437 81.2 10.2 -71.7 148.6 16.1 25.8 31.7 8 9 A G T 3 S- 0 0 76 1,-0.2 -1,-0.2 -2,-0.1 2,-0.2 0.839 87.1-172.8 48.7 43.1 18.2 24.5 28.8 9 10 A L < - 0 0 18 -3,-0.7 2,-0.6 84,-0.1 -1,-0.2 -0.457 18.7-153.4 -67.8 136.4 17.8 20.9 30.0 10 11 A D > - 0 0 59 -2,-0.2 3,-1.5 1,-0.1 4,-0.2 -0.860 9.1-172.0-114.9 90.1 19.7 18.3 28.2 11 12 A I G > S+ 0 0 21 -2,-0.6 3,-0.7 1,-0.3 -1,-0.1 0.609 80.6 63.2 -61.6 -17.2 17.7 15.1 28.7 12 13 A Q G > S+ 0 0 85 1,-0.2 3,-1.4 2,-0.1 -1,-0.3 0.872 96.4 59.1 -76.5 -31.7 20.4 12.9 27.2 13 14 A K G < S+ 0 0 124 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.431 94.0 64.6 -77.3 -1.0 22.8 13.9 30.0 14 15 A V G < S+ 0 0 0 -3,-0.7 31,-0.4 -4,-0.2 -1,-0.3 0.385 74.3 122.7 -98.8 -1.4 20.4 12.5 32.7 15 16 A A < + 0 0 40 -3,-1.4 2,-0.2 -4,-0.1 31,-0.2 -0.243 49.5 54.4 -53.5 149.2 20.8 9.0 31.3 16 17 A G E S-A 45 0A 25 29,-2.1 29,-3.0 2,-0.0 2,-0.3 -0.645 89.7 -26.0 123.3-176.4 22.2 6.6 34.0 17 18 A T E -A 44 0A 75 27,-0.3 2,-0.3 -2,-0.2 27,-0.3 -0.601 55.5-177.7 -83.5 139.6 21.7 5.1 37.4 18 19 A W - 0 0 4 25,-2.8 2,-0.4 -2,-0.3 105,-0.2 -0.941 18.2-144.4-136.0 154.4 19.8 7.2 40.0 19 20 A Y E -B 122 0A 46 103,-2.4 103,-2.2 -2,-0.3 2,-1.7 -0.980 18.7-132.3-120.4 131.1 18.8 6.9 43.7 20 21 A S E +B 121 0A 0 22,-0.4 101,-0.2 -2,-0.4 3,-0.1 -0.606 33.2 172.0 -79.8 79.8 15.6 8.2 45.2 21 22 A L E - 0 0 1 -2,-1.7 129,-2.1 99,-1.5 2,-0.3 0.904 63.9 -5.1 -57.8 -46.2 17.2 9.9 48.2 22 23 A A E -BC 120 149A 0 98,-1.3 98,-2.5 127,-0.2 2,-0.3 -0.977 59.9-163.5-148.4 163.7 14.0 11.5 49.3 23 24 A M E -BC 119 148A 2 125,-1.6 125,-2.3 -2,-0.3 2,-0.3 -0.987 2.4-170.4-146.6 155.1 10.4 12.0 48.3 24 25 A A E -BC 118 147A 1 94,-2.4 94,-3.0 -2,-0.3 2,-0.3 -0.993 4.3-169.0-146.8 142.1 7.5 14.3 49.2 25 26 A A E -BC 117 146A 0 121,-1.5 120,-3.8 -2,-0.3 121,-1.9 -0.948 31.7-130.8-135.3 154.7 3.8 14.3 48.4 26 27 A S S S+ 0 0 0 90,-2.0 2,-0.4 -2,-0.3 91,-0.1 0.758 101.5 45.1 -73.2 -19.7 0.9 16.8 48.8 27 28 A D S > S- 0 0 49 89,-0.3 3,-2.8 87,-0.1 4,-0.4 -0.995 75.0-140.8-131.1 121.8 -1.1 13.9 50.4 28 29 A I G >> S+ 0 0 83 -2,-0.4 4,-2.9 1,-0.3 3,-1.3 0.778 103.0 64.5 -43.3 -36.2 0.1 11.4 53.0 29 30 A S G 34 S+ 0 0 83 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.615 91.2 66.6 -75.4 -7.7 -1.8 8.6 51.2 30 31 A L G <4 S+ 0 0 17 -3,-2.8 8,-1.4 6,-0.2 -1,-0.3 0.740 123.7 9.6 -77.5 -27.3 0.6 9.2 48.2 31 32 A L T <4 S+ 0 0 1 -3,-1.3 -2,-0.2 -4,-0.4 5,-0.2 0.467 98.5 104.3-130.3 -11.0 3.6 7.9 50.2 32 33 A D S < S+ 0 0 108 -4,-2.9 -3,-0.1 -5,-0.2 -2,-0.1 0.909 78.7 37.1 -46.0 -68.4 2.2 6.4 53.4 33 34 A A S > S- 0 0 46 -4,-0.2 3,-0.8 1,-0.1 6,-0.1 -0.323 84.4-110.8 -88.3 172.6 2.4 2.7 52.8 34 35 A Q T 3 S+ 0 0 84 1,-0.2 26,-0.4 -2,-0.1 -1,-0.1 0.710 124.3 46.3 -64.4 -24.2 5.0 0.5 51.1 35 36 A S T 3 S+ 0 0 79 24,-0.1 -1,-0.2 26,-0.0 27,-0.1 0.401 84.5 137.4 -99.6 -5.0 2.2 -0.0 48.5 36 37 A A X - 0 0 6 -3,-0.8 3,-1.0 -5,-0.2 -6,-0.2 -0.034 64.1-107.7 -49.6 149.9 1.2 3.7 48.2 37 38 A P T 3 S+ 0 0 74 0, 0.0 -7,-0.1 0, 0.0 -6,-0.1 0.864 111.0 25.4 -49.0 -57.0 0.5 5.1 44.7 38 39 A L T 3 S+ 0 0 34 -8,-1.4 2,-2.0 -9,-0.1 -7,-0.1 0.272 84.2 118.2-103.3 21.9 3.5 7.3 44.0 39 40 A R < + 0 0 35 -3,-1.0 21,-0.4 -9,-0.2 2,-0.4 -0.589 44.0 149.8 -80.7 83.6 5.9 5.5 46.3 40 41 A V - 0 0 23 -2,-2.0 2,-0.4 19,-0.1 19,-0.2 -0.945 38.4-146.0-123.9 139.1 8.2 4.5 43.4 41 42 A Y E - D 0 58A 2 17,-2.4 17,-2.4 -2,-0.4 2,-0.3 -0.870 18.4-131.3-107.1 133.7 12.0 4.0 43.5 42 43 A V E + D 0 57A 14 -2,-0.4 -22,-0.4 15,-0.2 15,-0.2 -0.724 24.1 176.2 -94.0 139.7 14.2 4.9 40.5 43 44 A E E - 0 0 64 13,-2.9 -25,-2.8 -2,-0.3 2,-0.3 0.811 65.0 -31.7 -96.4 -70.9 16.8 2.6 39.0 44 45 A E E -AD 17 56A 49 12,-1.0 12,-1.5 -27,-0.3 2,-0.4 -0.998 54.1-119.4-154.3 151.8 18.1 4.5 36.0 45 46 A L E -AD 16 55A 14 -29,-3.0 -29,-2.1 -31,-0.4 10,-0.2 -0.775 23.0-170.5 -96.2 142.3 16.9 7.0 33.4 46 47 A K E - D 0 54A 76 8,-3.0 8,-2.9 -2,-0.4 2,-0.1 -0.695 3.2-167.6-134.1 91.9 17.0 6.0 29.7 47 48 A P E - D 0 53A 19 0, 0.0 6,-0.3 0, 0.0 5,-0.1 -0.369 16.5-132.7 -71.7 147.0 16.3 8.7 27.1 48 49 A T > - 0 0 31 4,-1.7 3,-2.9 1,-0.1 4,-0.1 -0.724 24.6-111.9 -98.9 153.6 15.6 7.8 23.5 49 50 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -37,-0.1 0.743 118.5 64.5 -56.7 -24.8 17.3 9.6 20.6 50 51 A E T 3 S- 0 0 128 1,-0.1 3,-0.1 24,-0.0 24,-0.1 0.311 126.3-104.0 -77.1 8.2 13.9 11.1 19.7 51 52 A G S < S+ 0 0 18 -3,-2.9 24,-0.1 1,-0.2 -40,-0.1 0.468 80.8 133.8 81.8 0.2 14.1 12.9 23.1 52 53 A D - 0 0 35 21,-0.1 -4,-1.7 -4,-0.1 2,-0.4 -0.068 48.4-131.6 -66.7-179.9 11.7 10.5 24.7 53 54 A L E -DE 47 72A 9 19,-1.4 19,-4.3 -6,-0.3 2,-0.4 -0.914 14.0-164.4-150.2 119.6 12.4 9.0 28.1 54 55 A E E -DE 46 71A 43 -8,-2.9 -8,-3.0 -2,-0.4 2,-0.4 -0.858 15.6-158.9-100.1 134.7 12.2 5.4 29.4 55 56 A I E -DE 45 70A 20 15,-4.6 15,-3.0 -2,-0.4 2,-0.6 -0.942 11.1-160.3-123.7 133.4 12.2 4.8 33.2 56 57 A L E +DE 44 69A 26 -12,-1.5 -13,-2.9 -2,-0.4 -12,-1.0 -0.939 29.7 154.0-108.5 119.7 13.1 1.7 35.2 57 58 A L E -DE 42 68A 11 11,-2.8 11,-2.0 -2,-0.6 2,-0.4 -0.906 40.0-119.8-140.5 166.9 11.8 1.7 38.7 58 59 A Q E -DE 41 67A 19 -17,-2.4 -17,-2.4 -2,-0.3 2,-0.3 -0.883 26.0-177.7-106.2 142.2 10.7 -0.5 41.6 59 60 A K E - E 0 66A 34 7,-4.0 7,-1.0 -2,-0.4 2,-0.3 -0.865 29.7-124.7-146.0 108.5 7.2 -0.4 43.0 60 61 A W E + E 0 65A 52 -21,-0.4 2,-0.4 -26,-0.4 5,-0.3 -0.304 41.5 173.2 -53.0 108.7 6.0 -2.5 45.9 61 62 A E - 0 0 55 3,-3.1 -2,-0.1 -2,-0.3 -26,-0.0 -0.990 58.0 -3.3-129.6 128.1 3.0 -4.4 44.5 62 63 A N S S- 0 0 158 -2,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.964 130.8 -51.4 59.1 59.7 1.0 -7.1 46.2 63 64 A G S S+ 0 0 63 -3,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.866 124.3 95.4 45.7 44.6 3.2 -7.2 49.3 64 65 A E S S- 0 0 113 -5,-0.1 -3,-3.1 2,-0.0 2,-1.0 -0.963 81.7-108.5-163.4 142.3 6.3 -7.6 47.0 65 66 A a E -E 60 0A 30 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.639 41.4-172.9 -81.2 104.1 9.0 -5.4 45.4 66 67 A A E -E 59 0A 18 -2,-1.0 -7,-4.0 -7,-1.0 2,-0.1 -0.742 18.2-135.2 -95.1 137.8 8.2 -5.3 41.7 67 68 A Q E -E 58 0A 93 -2,-0.3 2,-0.3 -9,-0.3 -9,-0.3 -0.434 28.1-169.8 -81.1 165.1 10.4 -3.7 39.0 68 69 A K E -E 57 0A 81 -11,-2.0 -11,-2.8 -2,-0.1 2,-0.5 -0.994 22.1-147.2-159.1 149.1 8.8 -1.5 36.4 69 70 A K E -E 56 0A 143 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.915 22.1-179.0-125.7 107.3 9.4 0.2 33.1 70 71 A I E -E 55 0A 48 -15,-3.0 -15,-4.6 -2,-0.5 2,-0.5 -0.711 15.6-145.6-101.4 154.1 7.7 3.5 32.5 71 72 A I E -E 54 0A 58 -2,-0.3 13,-1.3 -17,-0.3 2,-0.6 -0.974 6.1-163.6-120.9 127.1 7.9 5.7 29.4 72 73 A A E -EF 53 83A 0 -19,-4.3 -19,-1.4 -2,-0.5 2,-0.5 -0.929 15.5-143.9-107.1 110.4 7.7 9.5 29.6 73 74 A E E - F 0 82A 83 9,-2.1 9,-1.5 -2,-0.6 -21,-0.1 -0.625 20.5-124.1 -75.1 120.0 6.9 11.1 26.2 74 75 A K E - F 0 81A 73 -2,-0.5 2,-0.2 7,-0.2 7,-0.2 -0.169 29.6-164.0 -55.0 156.9 8.8 14.4 25.7 75 76 A T - 0 0 56 5,-0.8 5,-0.1 2,-0.5 -1,-0.1 -0.564 42.9 -72.4-128.8-169.0 6.7 17.5 24.9 76 77 A K S S+ 0 0 201 -2,-0.2 5,-0.1 1,-0.1 3,-0.1 0.614 116.9 70.8 -70.1 -15.2 7.3 21.0 23.6 77 78 A I S > S- 0 0 93 3,-0.4 3,-2.4 1,-0.1 -2,-0.5 -0.924 80.3-143.8-107.0 118.3 8.9 21.9 26.9 78 79 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -67,-0.1 0.778 98.8 45.5 -46.7 -36.1 12.3 20.3 27.3 79 80 A A T 3 S+ 0 0 1 -73,-0.1 14,-2.7 1,-0.1 2,-0.5 0.511 100.5 78.4 -93.0 -3.3 11.8 19.8 31.1 80 81 A V E < + G 0 92A 9 -3,-2.4 -5,-0.8 12,-0.2 -3,-0.4 -0.942 53.3 173.8-119.5 124.3 8.2 18.5 30.9 81 82 A F E -FG 74 91A 4 10,-2.7 10,-2.5 -2,-0.5 2,-0.4 -0.670 20.0-144.5-114.4 163.6 7.3 14.9 30.0 82 83 A K E -FG 73 90A 59 -9,-1.5 -9,-2.1 8,-0.3 8,-0.2 -0.970 16.8-140.6-136.5 115.9 4.0 13.1 30.0 83 84 A I E -FG 72 89A 24 6,-2.4 2,-0.8 -2,-0.4 6,-0.7 -0.511 21.7-113.8 -88.6 154.7 3.8 9.4 31.0 84 85 A D S S+ 0 0 81 -13,-1.3 2,-0.2 -2,-0.2 -1,-0.1 -0.115 75.1 113.3 -78.4 30.8 1.6 6.9 29.2 85 86 A A S > S- 0 0 64 -2,-0.8 3,-0.8 4,-0.1 2,-0.3 -0.507 82.0 -75.8 -93.3 173.5 -0.8 6.1 32.1 86 87 A L T 3 S+ 0 0 145 1,-0.2 -1,-0.1 -2,-0.2 -3,-0.0 -0.591 116.9 30.8 -70.7 130.5 -4.5 7.0 32.2 87 88 A N T 3 S- 0 0 96 -2,-0.3 22,-0.9 1,-0.1 -1,-0.2 0.676 110.9 -97.5 93.9 31.8 -5.0 10.7 32.9 88 89 A E < - 0 0 115 -3,-0.8 2,-0.4 1,-0.2 -4,-0.1 0.818 45.2-155.2 31.0 76.0 -1.9 12.2 31.2 89 90 A N E -G 83 0A 32 -6,-0.7 -6,-2.4 -4,-0.2 2,-0.4 -0.649 7.5-137.3 -83.5 130.9 0.4 12.6 34.3 90 91 A K E -GH 82 107A 61 17,-1.7 17,-2.4 -2,-0.4 2,-0.6 -0.725 10.2-158.8 -91.7 129.3 3.1 15.3 33.9 91 92 A V E -GH 81 106A 14 -10,-2.5 -10,-2.7 -2,-0.4 2,-0.5 -0.940 13.6-163.3-106.7 118.6 6.7 14.7 35.0 92 93 A L E -GH 80 105A 7 13,-3.6 13,-2.9 -2,-0.6 2,-0.7 -0.915 14.4-147.4-113.1 121.6 8.6 18.0 35.6 93 94 A V E + H 0 104A 6 -14,-2.7 -87,-2.2 -2,-0.5 11,-0.3 -0.806 19.0 178.3 -83.0 114.0 12.3 18.3 35.8 94 95 A L E - 0 0 2 9,-2.4 2,-0.3 -2,-0.7 10,-0.2 0.817 58.8 -26.3 -84.9 -41.5 13.0 21.2 38.3 95 96 A D E + H 0 103A 32 8,-1.7 8,-2.3 -89,-0.1 -1,-0.3 -0.981 58.5 165.7-171.6 158.9 16.8 21.2 38.4 96 97 A T E - H 0 102A 8 -2,-0.3 6,-0.2 6,-0.2 -82,-0.0 -0.890 32.7-152.9 179.0 155.1 19.9 19.1 38.0 97 98 A D - 0 0 44 4,-1.1 2,-0.9 -2,-0.3 5,-0.1 0.209 46.1-129.9-118.1 4.1 23.6 19.1 37.5 98 99 A Y S S+ 0 0 38 3,-0.8 4,-0.1 1,-0.2 0, 0.0 -0.054 96.8 48.4 75.7 -32.1 23.6 15.8 35.7 99 100 A K S S+ 0 0 137 -2,-0.9 -1,-0.2 2,-0.0 3,-0.1 0.432 117.1 31.7-122.0 -0.2 26.3 14.2 37.8 100 101 A K S S- 0 0 97 1,-0.4 23,-1.2 22,-0.1 24,-0.3 0.672 118.4 -24.8-119.5 -44.1 25.3 14.9 41.4 101 102 A Y E - 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