==== 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 TRANSPORT PROTEIN 29-AUG-98 1BSO . COMPND 2 MOLECULE: PROTEIN (BOVINE BETA-LACTOGLOBULIN A); . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.Y.QIN,L.K.CREAMER,E.N.BAKER,G.B.JAMESON . 162 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8671.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 70.4 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 35.8 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 . 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 . 22 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.3 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 2 0 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 1 0 0 1 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 L 0 0 200 0, 0.0 3,-0.1 0, 0.0 109,-0.0 0.000 360.0 360.0 360.0 35.0 1.0 24.4 36.9 2 2 A I + 0 0 51 1,-0.1 2,-0.6 111,-0.1 112,-0.0 0.584 360.0 80.8-116.2 -35.8 1.5 24.4 40.7 3 3 A V - 0 0 14 1,-0.2 -1,-0.1 2,-0.0 103,-0.0 -0.604 58.4-170.4 -79.9 116.8 5.3 24.0 40.6 4 4 A T + 0 0 119 -2,-0.6 2,-0.5 135,-0.2 -1,-0.2 0.354 63.8 82.3 -86.9 0.6 6.9 27.4 39.9 5 5 A Q + 0 0 76 134,-0.1 2,-0.3 88,-0.0 91,-0.1 -0.949 47.6 154.8-115.1 125.6 10.3 25.8 39.3 6 6 A T - 0 0 74 -2,-0.5 2,-0.5 89,-0.2 89,-0.2 -0.950 43.5-106.5-140.2 153.3 11.4 24.3 36.0 7 7 A M > - 0 0 37 87,-1.8 3,-0.5 -2,-0.3 2,-0.4 -0.733 23.9-140.2 -90.8 130.9 14.9 23.9 34.7 8 8 A K T 3 S+ 0 0 199 -2,-0.5 87,-0.0 1,-0.2 -1,-0.0 -0.704 83.6 12.9 -85.8 135.9 16.2 26.2 31.9 9 9 A G T 3 S- 0 0 66 -2,-0.4 2,-0.5 1,-0.2 -1,-0.2 0.918 78.3-172.5 68.8 49.1 18.3 24.4 29.3 10 10 A L < - 0 0 18 -3,-0.5 2,-0.9 84,-0.1 -1,-0.2 -0.622 12.3-165.0 -80.9 122.1 17.7 20.8 30.2 11 11 A D > - 0 0 75 -2,-0.5 3,-1.6 1,-0.1 4,-0.4 -0.869 2.3-168.9-105.0 92.7 19.9 18.4 28.3 12 12 A I T 3 S+ 0 0 20 -2,-0.9 3,-0.2 1,-0.3 -1,-0.1 0.561 80.4 69.3 -63.2 -6.5 18.1 15.1 29.0 13 13 A Q T > S+ 0 0 102 1,-0.2 3,-0.8 2,-0.1 -1,-0.3 0.799 95.4 54.1 -79.8 -31.0 21.1 13.2 27.5 14 14 A K T < S+ 0 0 111 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.570 97.5 63.1 -79.5 -12.2 23.2 14.2 30.5 15 15 A V T 3 S+ 0 0 0 -4,-0.4 -1,-0.2 -3,-0.2 31,-0.2 0.191 79.3 125.2 -96.0 14.3 20.7 12.8 33.1 16 16 A A < + 0 0 39 -3,-0.8 2,-0.3 29,-0.1 31,-0.2 -0.408 50.1 28.4 -71.9 148.4 21.2 9.3 31.7 17 17 A G E S+A 46 0A 22 29,-2.4 29,-2.4 -2,-0.1 2,-0.2 -0.738 93.9 3.9 114.2-158.8 22.3 6.5 34.0 18 18 A T E +A 45 0A 74 -2,-0.3 2,-0.3 27,-0.2 27,-0.2 -0.531 55.8 172.3 -77.7 135.8 22.0 5.3 37.5 19 19 A W - 0 0 2 25,-2.1 2,-0.4 -2,-0.2 105,-0.2 -0.991 19.6-149.7-144.7 150.0 19.9 7.3 40.1 20 20 A Y E -D 123 0B 45 103,-2.6 103,-2.1 -2,-0.3 2,-1.4 -0.972 20.7-129.4-122.1 133.5 18.8 6.7 43.8 21 21 A S E +D 122 0B 0 22,-0.4 101,-0.2 -2,-0.4 3,-0.1 -0.664 34.9 170.0 -82.5 91.1 15.6 8.1 45.3 22 22 A L E + 0 0 0 99,-1.6 129,-2.2 -2,-1.4 2,-0.3 0.872 64.1 9.3 -70.4 -39.1 17.1 9.7 48.4 23 23 A A E -DE 121 150B 0 98,-1.3 98,-2.3 127,-0.2 2,-0.3 -0.985 61.4-168.2-144.9 152.5 13.9 11.6 49.5 24 24 A M E -DE 120 149B 0 125,-2.1 125,-2.6 -2,-0.3 2,-0.3 -0.982 4.4-177.9-138.7 151.8 10.2 11.7 48.5 25 25 A A E -DE 119 148B 0 94,-2.3 94,-3.2 -2,-0.3 2,-0.3 -0.993 2.2-176.1-151.9 143.3 7.4 14.1 49.4 26 26 A A E -DE 118 147B 0 121,-1.6 120,-2.4 -2,-0.3 121,-1.2 -0.952 35.2-126.4-140.1 159.5 3.7 14.1 48.5 27 27 A S S S+ 0 0 8 90,-2.2 2,-0.4 -2,-0.3 91,-0.1 0.592 100.8 50.2 -80.2 -10.3 0.7 16.4 49.0 28 28 A D S >> S- 0 0 66 89,-0.4 3,-1.4 1,-0.1 4,-0.6 -0.996 73.0-143.9-133.5 132.3 -1.2 13.5 50.5 29 29 A I H >> S+ 0 0 88 -2,-0.4 4,-1.1 1,-0.3 3,-0.9 0.865 100.6 62.3 -60.6 -35.7 -0.0 11.1 53.2 30 30 A S H 34 S+ 0 0 62 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.544 92.8 63.9 -69.2 -10.7 -1.9 8.2 51.4 31 31 A L H <4 S+ 0 0 22 -3,-1.4 8,-1.3 6,-0.1 -1,-0.2 0.789 121.6 18.0 -84.2 -28.4 0.3 8.5 48.3 32 32 A L H << S+ 0 0 0 -3,-0.9 -2,-0.2 -4,-0.6 5,-0.1 0.282 96.0 116.7-123.2 6.1 3.5 7.6 50.1 33 33 A D S < S+ 0 0 98 -4,-1.1 2,-0.1 -5,-0.1 -3,-0.1 0.909 76.0 5.9 -37.8 -90.4 2.0 5.9 53.2 34 34 A A S > S- 0 0 56 -4,-0.2 3,-1.7 1,-0.0 6,-0.1 -0.419 88.5 -90.3 -95.1-179.4 3.1 2.3 53.3 35 35 A Q T 3 S+ 0 0 45 1,-0.3 26,-0.7 -2,-0.1 5,-0.1 0.754 128.0 49.4 -62.8 -26.7 5.4 0.3 51.0 36 36 A S T 3 S+ 0 0 75 24,-0.1 -1,-0.3 3,-0.0 -3,-0.1 0.189 79.3 134.9 -98.7 12.5 2.5 -0.6 48.7 37 37 A A X - 0 0 7 -3,-1.7 3,-2.4 -5,-0.1 24,-0.2 -0.488 67.6-113.6 -64.2 133.9 1.3 3.0 48.5 38 38 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 0.705 110.4 34.8 -36.5 -48.3 0.4 3.9 44.8 39 39 A L T 3 S+ 0 0 33 -8,-1.3 2,-1.4 -9,-0.1 -7,-0.1 0.089 80.6 116.1-104.0 24.2 3.2 6.5 44.2 40 40 A R < + 0 0 24 -3,-2.4 21,-0.5 21,-0.1 2,-0.4 -0.736 44.3 155.0 -91.2 84.3 5.9 4.9 46.4 41 41 A V E - B 0 60A 36 -2,-1.4 2,-0.5 19,-0.1 19,-0.2 -0.927 35.7-147.0-117.4 144.1 8.3 4.3 43.5 42 42 A Y E - B 0 59A 0 17,-3.0 17,-2.5 -2,-0.4 2,-0.2 -0.946 18.8-132.8-113.3 118.9 12.1 3.9 43.6 43 43 A V E + B 0 58A 8 -2,-0.5 -22,-0.4 15,-0.2 15,-0.2 -0.524 29.7 168.2 -75.3 131.6 14.1 5.1 40.6 44 44 A E E - 0 0 65 13,-3.1 -25,-2.1 1,-0.4 2,-0.3 0.788 62.8 -4.6-103.5 -58.8 16.7 2.8 39.2 45 45 A E E -AB 18 57A 71 12,-1.5 12,-2.8 -27,-0.2 2,-0.5 -0.992 50.5-146.7-144.7 147.3 17.8 4.2 35.9 46 46 A L E -AB 17 56A 13 -29,-2.4 -29,-2.4 -2,-0.3 10,-0.2 -0.973 18.6-174.8-115.4 124.9 16.9 7.0 33.5 47 47 A K E - B 0 55A 70 8,-3.1 8,-3.2 -2,-0.5 2,-0.4 -0.894 10.9-155.1-125.2 99.1 17.3 6.2 29.8 48 48 A P E - B 0 54A 22 0, 0.0 6,-0.2 0, 0.0 -2,-0.0 -0.610 16.8-137.4 -75.9 128.8 16.7 9.0 27.2 49 49 A T > - 0 0 19 4,-1.0 3,-1.7 -2,-0.4 -2,-0.0 -0.469 22.3-112.3 -80.3 155.1 15.8 7.6 23.8 50 50 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -37,-0.0 0.790 116.1 64.0 -58.3 -26.3 17.3 9.2 20.6 51 51 A E T 3 S- 0 0 134 1,-0.1 3,-0.1 24,-0.0 24,-0.0 0.722 123.7-101.6 -68.5 -23.8 13.9 10.6 19.7 52 52 A G S < S+ 0 0 16 -3,-1.7 -40,-0.1 1,-0.2 -1,-0.1 0.390 83.1 120.6 117.0 -1.7 13.9 12.7 22.8 53 53 A D - 0 0 39 21,-0.1 -4,-1.0 22,-0.1 2,-0.4 -0.090 57.9-120.9 -78.9-170.7 11.6 10.7 25.1 54 54 A L E -BC 48 73A 11 19,-2.4 19,-3.1 -6,-0.2 2,-0.6 -0.920 10.5-156.2-145.5 111.5 12.6 9.2 28.5 55 55 A E E -BC 47 72A 55 -8,-3.2 -8,-3.1 -2,-0.4 2,-0.5 -0.781 17.8-160.2 -86.2 119.8 12.5 5.5 29.5 56 56 A I E -BC 46 71A 21 15,-3.8 15,-2.6 -2,-0.6 2,-0.6 -0.894 6.8-162.2-106.3 125.8 12.2 5.3 33.3 57 57 A L E +BC 45 70A 22 -12,-2.8 -13,-3.1 -2,-0.5 -12,-1.5 -0.946 26.6 159.4-106.8 117.8 13.2 2.1 35.1 58 58 A L E -BC 43 69A 5 11,-2.4 11,-2.7 -2,-0.6 2,-0.4 -0.874 35.6-129.6-136.5 166.8 11.8 1.9 38.6 59 59 A Q E +BC 42 68A 0 -17,-2.5 -17,-3.0 -2,-0.3 2,-0.3 -0.962 26.0 173.9-117.4 138.5 10.9 -0.5 41.4 60 60 A K E -BC 41 67A 54 7,-2.2 7,-2.1 -2,-0.4 2,-0.8 -0.985 35.0-120.2-144.1 143.4 7.5 -0.5 43.2 61 61 A W E + C 0 66A 61 -26,-0.7 5,-0.2 -21,-0.5 -21,-0.1 -0.818 48.6 152.9 -88.2 109.8 6.1 -2.9 45.8 62 62 A E + 0 0 85 3,-1.4 -1,-0.2 -2,-0.8 4,-0.1 0.812 64.7 4.5-100.1 -80.3 3.0 -4.4 44.1 63 63 A N S S- 0 0 113 2,-0.2 -2,-0.1 1,-0.0 3,-0.0 0.928 123.0 -58.4 -72.2 -92.6 1.9 -7.8 45.2 64 64 A D S S+ 0 0 144 -28,-0.0 2,-0.3 0, 0.0 -3,-0.1 -0.205 118.5 77.7-149.2 35.7 4.2 -8.9 48.1 65 65 A E S S- 0 0 111 -5,-0.1 -3,-1.4 0, 0.0 2,-1.1 -0.972 89.3-101.8-147.2 156.2 7.4 -8.6 46.0 66 66 A a E -C 61 0A 27 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.2 -0.731 47.0-162.4 -85.5 99.2 9.7 -5.8 44.7 67 67 A A E -C 60 0A 13 -7,-2.1 -7,-2.2 -2,-1.1 2,-0.6 -0.547 12.8-137.9 -85.0 149.4 8.6 -5.4 41.1 68 68 A Q E -C 59 0A 120 -9,-0.2 2,-0.3 -2,-0.2 -9,-0.2 -0.934 25.1-173.8-109.9 116.1 10.6 -3.7 38.4 69 69 A K E -C 58 0A 73 -11,-2.7 -11,-2.4 -2,-0.6 2,-0.5 -0.775 17.4-148.3-109.9 158.2 8.6 -1.5 36.0 70 70 A K E -C 57 0A 117 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.951 20.1-179.6-129.6 107.6 9.5 0.4 32.9 71 71 A I E -C 56 0A 55 -15,-2.6 -15,-3.8 -2,-0.5 2,-0.4 -0.772 17.1-143.1-106.2 149.7 7.7 3.6 32.2 72 72 A I E -C 55 0A 81 -2,-0.3 2,-0.6 -17,-0.2 13,-0.5 -0.959 6.1-161.6-116.7 131.5 8.1 5.9 29.2 73 73 A A E -C 54 0A 1 -19,-3.1 -19,-2.4 -2,-0.4 2,-0.2 -0.981 16.0-150.3-113.2 111.9 7.9 9.7 29.7 74 74 A E E -F 83 0B 93 9,-2.7 9,-2.6 -2,-0.6 -21,-0.1 -0.608 18.4-111.4 -83.8 146.3 7.3 11.3 26.3 75 75 A K E -F 82 0B 126 -2,-0.2 2,-0.2 7,-0.2 7,-0.2 -0.265 29.7-167.5 -74.5 162.8 8.6 14.8 25.6 76 76 A T - 0 0 40 5,-0.8 -1,-0.1 2,-0.5 5,-0.0 -0.548 46.3 -76.2-130.1-165.4 6.4 17.9 25.1 77 77 A K S S+ 0 0 210 -2,-0.2 5,-0.1 1,-0.1 -2,-0.0 0.812 115.6 69.5 -68.9 -33.8 7.0 21.5 23.8 78 78 A I S > S- 0 0 86 1,-0.1 3,-2.1 3,-0.1 -2,-0.5 -0.818 81.4-141.4 -89.8 120.0 8.7 22.5 27.0 79 79 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 -67,-0.1 0.580 99.2 49.6 -55.7 -15.8 12.2 20.7 27.4 80 80 A A T 3 S+ 0 0 2 13,-0.0 14,-2.1 -69,-0.0 2,-0.4 0.421 99.4 77.9-104.7 -0.9 11.7 20.2 31.2 81 81 A V E < + G 0 93B 9 -3,-2.1 -5,-0.8 12,-0.2 2,-0.3 -0.934 54.5 177.5-116.5 133.6 8.2 18.7 31.0 82 82 A F E -FG 75 92B 6 10,-2.5 10,-2.5 -2,-0.4 2,-0.4 -0.858 18.6-135.4-128.1 161.7 7.3 15.2 30.0 83 83 A K E -FG 74 91B 108 -9,-2.6 -9,-2.7 -2,-0.3 2,-0.3 -0.961 8.6-158.5-124.2 136.1 4.0 13.2 29.8 84 84 A I E - G 0 90B 33 6,-1.9 6,-0.5 -2,-0.4 2,-0.4 -0.857 27.1-111.9-109.9 148.5 3.2 9.6 31.0 85 85 A D + 0 0 139 -13,-0.5 2,-0.3 -2,-0.3 4,-0.1 -0.698 61.4 83.2 -95.1 133.9 0.3 7.6 29.6 86 86 A A S S- 0 0 49 -2,-0.4 4,-0.0 2,-0.1 -2,-0.0 -0.941 92.0 -68.3 168.3-175.5 -2.9 6.5 31.4 87 87 A L S S+ 0 0 168 -2,-0.3 2,-0.6 2,-0.1 -2,-0.0 0.558 118.6 82.0 -70.3 -12.1 -6.5 7.8 32.3 88 88 A N S S- 0 0 61 21,-0.0 2,-1.9 23,-0.0 -2,-0.1 -0.896 82.1-144.5 -96.4 118.4 -4.4 10.0 34.5 89 89 A E - 0 0 123 -2,-0.6 21,-2.1 -4,-0.1 2,-0.3 -0.539 34.4-179.9 -83.8 71.1 -3.0 13.0 32.6 90 90 A N E -GH 84 109B 13 -2,-1.9 -6,-1.9 -6,-0.5 2,-0.4 -0.574 15.7-164.4 -82.9 138.1 0.3 13.0 34.5 91 91 A K E -GH 83 108B 60 17,-2.7 17,-1.7 -2,-0.3 2,-0.4 -0.947 6.4-153.4-121.1 134.4 3.1 15.5 33.9 92 92 A V E -GH 82 107B 17 -10,-2.5 -10,-2.5 -2,-0.4 2,-0.4 -0.908 13.7-167.6-106.3 137.6 6.7 15.0 35.1 93 93 A L E -GH 81 106B 12 13,-2.5 13,-2.0 -2,-0.4 2,-0.7 -0.996 16.0-145.5-131.3 129.3 8.7 18.2 35.7 94 94 A V E + H 0 105B 6 -14,-2.1 -87,-1.8 -2,-0.4 11,-0.2 -0.865 18.7 179.7 -94.2 117.2 12.4 18.5 36.2 95 95 A L E - 0 0 9 9,-2.2 2,-0.3 -2,-0.7 -1,-0.2 0.861 60.6 -13.7 -85.1 -43.3 13.0 21.4 38.6 96 96 A D E + H 0 104B 47 8,-1.1 8,-2.7 -89,-0.1 -1,-0.3 -0.984 59.2 163.6-159.4 155.5 16.8 21.4 39.0 97 97 A T E - H 0 103B 4 -2,-0.3 6,-0.2 6,-0.2 -82,-0.0 -0.882 28.7-162.4-174.6 143.6 19.8 19.3 38.3 98 98 A D - 0 0 31 4,-1.2 2,-1.9 -2,-0.3 5,-0.1 0.215 42.6-135.2-111.0 5.5 23.6 19.6 38.1 99 99 A Y S S+ 0 0 34 3,-0.8 4,-0.0 1,-0.2 0, 0.0 -0.133 93.6 62.9 68.8 -37.8 23.7 16.3 36.2 100 100 A K S S+ 0 0 139 -2,-1.9 -1,-0.2 23,-0.0 3,-0.1 0.684 119.2 10.3 -88.4 -25.6 26.7 14.9 38.2 101 101 A K S S+ 0 0 69 1,-0.3 23,-2.4 23,-0.1 24,-0.2 0.724 118.2 4.6-118.4 -62.7 25.1 14.8 41.7 102 102 A Y E - 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