==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIPOCALIN 29-MAR-02 1GX8 . COMPND 2 MOLECULE: BETA-LACTOGLOBULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR G.KONTOPIDIS,L.SAWYER . 161 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8166.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 72.0 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 36.6 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 . 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 . 22 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 10.6 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 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 2 A I 0 0 85 0, 0.0 2,-0.4 0, 0.0 115,-0.0 0.000 360.0 360.0 360.0 -39.6 20.9 10.8 58.7 2 3 A V + 0 0 18 1,-0.1 105,-0.0 140,-0.0 103,-0.0 -0.628 360.0 175.5 -81.3 127.5 22.5 7.4 58.2 3 4 A T + 0 0 135 -2,-0.4 2,-0.5 1,-0.0 -1,-0.1 0.509 52.5 79.3-112.8 -14.2 26.1 7.8 57.0 4 5 A Q + 0 0 76 134,-0.1 2,-0.3 88,-0.0 91,-0.1 -0.884 52.0 166.9-102.3 126.3 27.4 4.2 56.9 5 6 A T - 0 0 60 -2,-0.5 2,-0.7 99,-0.0 89,-0.3 -0.929 41.7 -98.0-131.4 159.9 26.5 2.0 54.0 6 7 A M > - 0 0 32 87,-2.0 3,-0.8 -2,-0.3 89,-0.1 -0.662 35.0-136.3 -86.6 115.6 28.0 -1.3 52.9 7 8 A K T 3 S+ 0 0 202 -2,-0.7 -1,-0.0 1,-0.2 87,-0.0 -0.423 82.8 9.9 -64.7 145.6 30.6 -1.1 50.2 8 9 A G T 3 S- 0 0 77 1,-0.2 -1,-0.2 -2,-0.1 2,-0.1 0.813 84.4-171.1 55.6 42.9 30.3 -3.6 47.3 9 10 A L < - 0 0 21 -3,-0.8 2,-0.6 1,-0.1 -1,-0.2 -0.374 17.9-157.0 -65.3 137.5 26.9 -5.0 48.3 10 11 A D >> - 0 0 62 1,-0.1 3,-1.2 -2,-0.1 4,-0.8 -0.759 9.9-175.4-115.2 85.1 25.7 -8.1 46.5 11 12 A I T 34 S+ 0 0 23 -2,-0.6 3,-0.2 1,-0.3 -1,-0.1 0.729 79.0 64.9 -56.2 -23.7 22.0 -7.9 47.0 12 13 A Q T >4 S+ 0 0 87 1,-0.2 3,-1.3 2,-0.1 -1,-0.3 0.965 98.9 54.9 -61.8 -47.0 21.5 -11.2 45.3 13 14 A K T <4 S+ 0 0 112 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.728 93.1 68.4 -53.6 -35.3 23.4 -12.9 48.2 14 15 A V T 3< S+ 0 0 1 -4,-0.8 31,-0.3 -3,-0.2 -1,-0.3 0.389 75.4 121.5 -76.9 11.4 21.2 -11.4 51.0 15 16 A A < + 0 0 37 -3,-1.3 2,-0.2 29,-0.1 31,-0.2 -0.373 46.0 48.8 -72.2 157.4 18.2 -13.6 49.8 16 17 A G E S-A 45 0A 30 29,-2.3 29,-2.3 2,-0.0 2,-0.2 -0.700 90.5 -12.9 118.7-166.9 16.7 -16.0 52.2 17 18 A T E -A 44 0A 88 -2,-0.2 2,-0.4 27,-0.2 27,-0.3 -0.493 57.7-172.7 -80.2 138.7 15.3 -16.4 55.7 18 19 A W - 0 0 5 25,-1.8 2,-0.5 -2,-0.2 105,-0.2 -0.984 16.4-150.0-135.5 146.0 15.9 -13.6 58.2 19 20 A Y E -B 122 0A 51 103,-3.6 103,-2.9 -2,-0.4 2,-1.7 -0.948 17.4-137.4-112.6 127.3 15.4 -13.1 61.9 20 21 A S E +B 121 0A 0 -2,-0.5 101,-0.2 22,-0.4 3,-0.1 -0.644 30.8 172.4 -79.3 84.1 14.8 -9.6 63.4 21 22 A L E - 0 0 0 -2,-1.7 129,-2.4 99,-1.7 2,-0.3 0.913 64.1 -1.3 -58.2 -50.4 17.1 -10.1 66.4 22 23 A A E -BC 120 149A 0 98,-1.0 98,-2.4 127,-0.2 2,-0.3 -0.945 60.5-162.9-143.1 162.8 16.8 -6.4 67.5 23 24 A M E -BC 119 148A 2 125,-1.2 125,-3.0 -2,-0.3 2,-0.3 -0.981 5.0-173.3-144.7 150.8 15.2 -3.1 66.4 24 25 A A E -BC 118 147A 0 94,-2.2 94,-2.8 -2,-0.3 2,-0.3 -0.997 1.3-170.1-149.0 143.9 15.8 0.6 67.2 25 26 A A E -BC 117 146A 0 121,-1.7 120,-3.2 -2,-0.3 121,-1.5 -0.902 32.5-130.2-132.1 162.7 14.0 3.9 66.4 26 27 A S S S+ 0 0 0 90,-2.1 2,-0.4 118,-0.3 91,-0.1 0.571 102.3 49.2 -85.2 -5.5 14.8 7.6 66.8 27 28 A D S > S- 0 0 32 89,-0.4 3,-2.1 119,-0.1 4,-0.4 -0.993 73.5-145.0-138.0 122.3 11.3 7.9 68.4 28 29 A I G >> S+ 0 0 84 -2,-0.4 4,-3.1 1,-0.3 3,-1.4 0.821 100.7 66.5 -55.4 -31.2 9.9 5.6 71.1 29 30 A S G 34 S+ 0 0 85 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.711 91.5 61.5 -63.3 -24.8 6.5 6.0 69.4 30 31 A L G <4 S+ 0 0 24 -3,-2.1 8,-0.5 6,-0.2 -1,-0.3 0.648 124.3 14.3 -79.2 -12.3 7.7 4.1 66.3 31 32 A L T <4 S+ 0 0 1 -3,-1.4 -2,-0.2 -4,-0.4 5,-0.2 0.587 97.1 98.2-137.0 -18.6 8.4 0.9 68.3 32 33 A D S < S+ 0 0 106 -4,-3.1 -3,-0.1 -5,-0.2 -2,-0.1 0.926 84.6 34.7 -43.3 -80.8 6.6 1.3 71.8 33 34 A A S > S- 0 0 56 -4,-0.2 3,-1.3 1,-0.1 6,-0.1 -0.195 88.2-110.6 -75.9 171.0 3.4 -0.7 71.2 34 35 A Q T 3 S+ 0 0 67 1,-0.3 26,-0.5 25,-0.0 -1,-0.1 0.722 121.4 52.6 -75.7 -17.9 2.9 -3.8 69.1 35 36 A S T 3 S+ 0 0 77 24,-0.1 -1,-0.3 26,-0.0 -3,-0.1 0.253 82.0 134.6 -95.2 7.9 0.9 -1.7 66.7 36 37 A A X - 0 0 6 -3,-1.3 3,-1.4 -5,-0.2 -6,-0.2 -0.270 65.5-116.7 -55.9 142.6 3.7 0.8 66.5 37 38 A P T 3 S+ 0 0 77 0, 0.0 -7,-0.1 0, 0.0 -6,-0.1 0.958 108.2 35.2 -50.6 -65.3 4.4 1.8 62.9 38 39 A L T 3 S+ 0 0 41 -8,-0.5 2,-1.8 1,-0.1 -7,-0.1 0.311 84.9 114.2 -83.6 20.6 8.0 0.6 62.4 39 40 A R < + 0 0 32 -3,-1.4 21,-0.4 -9,-0.1 2,-0.4 -0.541 45.3 146.6 -87.3 80.2 7.5 -2.5 64.5 40 41 A V - 0 0 33 -2,-1.8 2,-0.5 19,-0.1 19,-0.2 -0.914 40.5-144.6-124.4 145.2 7.9 -5.0 61.8 41 42 A Y E - D 0 58A 1 17,-2.6 17,-3.5 -2,-0.4 2,-0.4 -0.910 19.4-132.8-112.6 126.4 9.3 -8.5 61.8 42 43 A V E + D 0 57A 10 -2,-0.5 -22,-0.4 15,-0.3 15,-0.3 -0.612 23.2 177.3 -88.1 128.4 11.2 -9.8 58.7 43 44 A E E - 0 0 73 13,-3.2 -25,-1.8 -2,-0.4 2,-0.3 0.874 66.5 -21.4 -90.4 -50.4 10.4 -13.2 57.3 44 45 A E E -AD 17 56A 48 12,-1.4 12,-2.5 -27,-0.3 2,-0.5 -0.966 51.5-123.3-166.3 146.8 12.7 -13.2 54.3 45 46 A L E -AD 16 55A 1 -29,-2.3 -29,-2.3 -2,-0.3 10,-0.2 -0.858 26.5-175.5 -95.9 124.8 14.7 -11.1 51.9 46 47 A K E - D 0 54A 62 8,-2.9 8,-2.4 -2,-0.5 2,-0.4 -0.823 5.2-165.6-126.6 89.1 13.8 -11.6 48.2 47 48 A P E - D 0 53A 14 0, 0.0 6,-0.2 0, 0.0 -32,-0.1 -0.611 18.5-131.7 -78.3 125.9 16.0 -9.7 45.7 48 49 A T > - 0 0 33 4,-1.4 3,-3.1 -2,-0.4 4,-0.4 -0.489 19.8-113.8 -79.0 144.8 14.6 -9.6 42.2 49 50 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -37,-0.1 0.739 118.0 58.3 -51.1 -31.4 16.7 -10.4 39.2 50 51 A E T 3 S- 0 0 118 1,-0.0 24,-0.1 24,-0.0 -2,-0.1 0.367 128.3-100.6 -82.8 10.8 16.5 -6.8 38.0 51 52 A G S < S+ 0 0 20 -3,-3.1 2,-0.2 1,-0.2 23,-0.1 0.795 79.1 134.5 80.9 29.1 18.0 -5.9 41.3 52 53 A D - 0 0 34 -4,-0.4 -4,-1.4 21,-0.1 2,-0.4 -0.455 52.0-123.2 -94.3 176.3 14.9 -4.8 43.2 53 54 A L E -DE 47 72A 0 19,-3.7 19,-3.2 -6,-0.2 2,-0.4 -0.781 17.7-167.1-136.5 98.2 14.2 -5.9 46.8 54 55 A E E -DE 46 71A 44 -8,-2.4 -8,-2.9 -2,-0.4 2,-0.5 -0.639 15.9-159.7 -71.3 122.6 11.0 -7.8 47.7 55 56 A I E -DE 45 70A 10 15,-4.2 15,-2.9 -2,-0.4 2,-0.5 -0.947 8.4-160.5-117.8 124.6 10.7 -7.9 51.5 56 57 A L E +DE 44 69A 21 -12,-2.5 -13,-3.2 -2,-0.5 -12,-1.4 -0.830 28.7 146.9 -96.3 128.5 8.5 -10.4 53.5 57 58 A L E -DE 42 68A 11 11,-2.3 11,-3.9 -2,-0.5 2,-0.3 -0.959 38.8-124.4-151.5 169.1 7.6 -9.4 57.0 58 59 A Q E +DE 41 67A 13 -17,-3.5 -17,-2.6 -2,-0.3 2,-0.3 -0.814 25.1 178.3-112.7 159.1 4.9 -9.6 59.7 59 60 A K E - E 0 66A 18 7,-0.9 7,-1.2 -2,-0.3 2,-0.2 -0.823 32.7-111.4-166.6 126.9 3.3 -6.8 61.6 60 61 A W E + E 0 65A 65 -26,-0.5 2,-0.4 -21,-0.4 5,-0.2 -0.324 40.9 170.9 -59.7 120.8 0.6 -6.5 64.2 61 62 A E - 0 0 74 3,-3.0 -2,-0.1 -2,-0.2 -26,-0.0 -0.984 62.5 -18.4-139.1 128.9 -2.5 -4.9 62.8 62 63 A N S S- 0 0 157 -2,-0.4 -1,-0.1 1,-0.2 3,-0.0 0.915 129.3 -42.5 38.3 71.4 -5.8 -4.6 64.6 63 64 A G S S+ 0 0 60 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.874 122.2 89.4 51.2 48.5 -5.2 -7.3 67.2 64 65 A E S S- 0 0 103 2,-0.0 -3,-3.0 -5,-0.0 2,-0.7 -0.880 76.7-116.9-173.1 136.9 -3.6 -9.8 64.8 65 66 A a E -E 60 0A 35 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.685 40.1-174.9 -76.5 111.6 -0.3 -10.8 63.3 66 67 A A E -E 59 0A 20 -7,-1.2 -7,-0.9 -2,-0.7 -2,-0.0 -0.939 22.9-129.9-120.1 119.7 -0.6 -10.2 59.5 67 68 A Q E -E 58 0A 87 -2,-0.5 2,-0.3 -9,-0.2 -9,-0.3 -0.367 30.7-166.6 -63.9 140.1 2.1 -11.1 57.0 68 69 A K E -E 57 0A 85 -11,-3.9 -11,-2.3 -2,-0.0 2,-0.5 -0.901 15.3-145.7-128.3 157.9 3.0 -8.1 54.7 69 70 A K E -E 56 0A 118 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.946 19.2-179.9-131.1 111.4 4.9 -7.8 51.5 70 71 A I E -E 55 0A 59 -15,-2.9 -15,-4.2 -2,-0.5 2,-0.5 -0.819 15.5-145.7-110.8 150.0 6.9 -4.7 50.8 71 72 A I E -E 54 0A 55 -2,-0.3 13,-0.9 -17,-0.3 2,-0.6 -0.968 4.8-161.7-125.2 117.8 9.0 -3.8 47.7 72 73 A A E -EF 53 83A 0 -19,-3.2 -19,-3.7 -2,-0.5 2,-0.4 -0.887 16.3-144.3 -95.2 112.7 12.2 -1.8 47.8 73 74 A E E - F 0 82A 83 9,-2.7 9,-2.3 -2,-0.6 -21,-0.1 -0.681 20.8-114.5 -82.8 126.7 13.2 -0.4 44.5 74 75 A K E - F 0 81A 106 -2,-0.4 2,-0.2 7,-0.2 7,-0.2 -0.188 33.0-165.1 -56.7 148.3 16.9 -0.3 43.6 75 76 A T - 0 0 51 5,-1.0 5,-0.1 2,-0.6 -1,-0.1 -0.703 42.8 -81.8-126.3 179.7 18.6 3.1 43.2 76 77 A K S S+ 0 0 213 -2,-0.2 5,-0.1 1,-0.1 -2,-0.1 0.871 117.2 69.0 -53.1 -39.8 21.9 4.3 41.8 77 78 A I S > S- 0 0 94 1,-0.1 3,-2.3 3,-0.1 -2,-0.6 -0.719 83.2-141.5 -87.0 120.4 23.6 3.3 45.0 78 79 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -67,-0.1 0.784 99.5 46.2 -48.4 -34.4 23.7 -0.5 45.4 79 80 A A T 3 S+ 0 0 3 -73,-0.1 14,-2.6 13,-0.1 2,-0.5 0.406 99.8 79.9 -95.2 4.1 22.9 -0.3 49.2 80 81 A V E < + G 0 92A 10 -3,-2.3 -5,-1.0 12,-0.2 2,-0.3 -0.953 54.1 173.6-117.8 129.8 20.1 2.2 49.0 81 82 A F E -FG 74 91A 3 10,-2.1 10,-2.6 -2,-0.5 2,-0.5 -0.850 22.5-134.3-127.9 157.7 16.5 1.3 48.0 82 83 A K E -FG 73 90A 78 -9,-2.3 -9,-2.7 -2,-0.3 2,-0.9 -0.976 11.5-137.9-122.7 126.9 13.2 3.2 48.0 83 84 A I E -FG 72 89A 19 6,-2.3 2,-1.1 -2,-0.5 6,-0.8 -0.786 29.2-121.3 -86.8 109.4 10.0 1.9 49.3 84 85 A D S S+ 0 0 65 -2,-0.9 2,-0.3 -13,-0.9 -1,-0.1 -0.214 72.1 91.7 -42.2 76.6 7.3 2.8 46.8 85 86 A A S > S- 0 0 62 -2,-1.1 3,-1.5 4,-0.1 4,-0.1 -0.955 76.6 -43.7-164.3-177.8 5.1 4.9 49.1 86 87 A L T 3 S+ 0 0 138 -2,-0.3 -3,-0.1 1,-0.3 -1,-0.0 -0.208 117.8 10.1 -58.2 142.8 3.9 8.2 50.6 87 88 A N T 3 S- 0 0 100 1,-0.1 -1,-0.3 21,-0.1 22,-0.1 0.401 110.6-107.0 66.8 -2.3 6.6 10.5 51.9 88 89 A E < - 0 0 115 -3,-1.5 21,-0.9 1,-0.1 2,-0.4 0.815 39.8-156.1 47.9 119.0 9.2 8.4 50.2 89 90 A N E -GH 83 108A 23 -6,-0.8 -6,-2.3 19,-0.2 2,-0.3 -0.978 4.7-137.2-126.2 140.8 11.3 6.3 52.6 90 91 A K E -GH 82 107A 62 17,-2.8 17,-1.4 -2,-0.4 2,-0.5 -0.718 3.3-152.2 -98.0 149.7 14.8 4.9 52.0 91 92 A V E -GH 81 106A 8 -10,-2.6 -10,-2.1 -2,-0.3 2,-0.5 -0.979 18.1-169.4-114.8 114.4 16.1 1.5 52.9 92 93 A L E -GH 80 105A 5 13,-2.1 13,-2.1 -2,-0.5 2,-0.7 -0.916 18.0-146.7-113.3 125.3 19.8 1.4 53.6 93 94 A V E - H 0 104A 1 -14,-2.6 -87,-2.0 -2,-0.5 11,-0.3 -0.784 17.8-178.7 -85.7 120.0 22.0 -1.7 54.0 94 95 A L E - 0 0 1 9,-2.9 2,-0.3 -2,-0.7 10,-0.2 0.840 60.3 -27.5 -82.8 -37.3 24.6 -0.7 56.6 95 96 A D E + H 0 103A 33 8,-1.5 8,-3.5 -89,-0.1 -1,-0.3 -0.901 59.0 168.9-180.0 142.3 26.5 -4.0 56.7 96 97 A T E - H 0 102A 8 -2,-0.3 6,-0.2 6,-0.2 -82,-0.0 -0.973 31.8-156.0-164.5 151.5 26.2 -7.7 56.2 97 98 A D - 0 0 34 4,-1.3 2,-1.5 -2,-0.3 5,-0.1 0.176 45.5-133.7-111.7 9.8 28.2 -10.9 55.8 98 99 A Y S S+ 0 0 47 3,-0.8 4,-0.1 1,-0.2 -2,-0.0 0.053 94.4 51.5 72.4 -31.5 25.3 -12.5 54.0 99 100 A K S S+ 0 0 152 -2,-1.5 -1,-0.2 2,-0.1 3,-0.1 0.439 119.5 24.6-119.2 -3.9 25.3 -15.7 55.9 100 101 A K S S- 0 0 55 1,-0.5 23,-1.8 23,-0.1 24,-0.3 0.645 120.3 -8.7-124.6 -61.3 25.3 -14.5 59.5 101 102 A Y E - 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