==== 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 31-AUG-98 1BSY . COMPND 2 MOLECULE: BETA-LACTOGLOBULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.Y.QIN,M.C.BEWLEY,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) . 8599.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 73.5 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 . 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 . 22 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 9.3 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 0 1 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 0 184 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 66.3 -20.3 13.1 18.0 2 2 A I + 0 0 47 1,-0.2 2,-0.6 3,-0.1 112,-0.0 0.196 360.0 86.0-142.1 -42.1 -20.3 13.6 21.8 3 3 A V - 0 0 15 1,-0.1 -1,-0.2 2,-0.0 103,-0.0 -0.631 58.6-170.0 -74.0 112.1 -18.0 16.5 21.8 4 4 A T + 0 0 128 -2,-0.6 2,-0.5 135,-0.2 -1,-0.1 0.244 62.6 84.1 -86.5 4.2 -20.1 19.6 21.2 5 5 A Q + 0 0 74 134,-0.1 2,-0.3 2,-0.0 91,-0.1 -0.965 49.0 162.6-114.5 129.7 -17.1 21.9 20.7 6 6 A T - 0 0 74 -2,-0.5 2,-0.5 89,-0.2 89,-0.2 -0.940 39.9-113.1-137.4 147.1 -15.5 22.1 17.2 7 7 A M > - 0 0 36 87,-1.5 3,-0.6 -2,-0.3 2,-0.4 -0.804 24.1-139.1 -91.9 129.6 -13.2 24.8 16.2 8 8 A K T 3 S+ 0 0 194 -2,-0.5 87,-0.0 1,-0.2 0, 0.0 -0.725 81.3 8.6 -84.5 130.4 -14.4 27.1 13.4 9 9 A G T 3 S- 0 0 65 -2,-0.4 -1,-0.2 1,-0.2 2,-0.2 0.860 78.3-174.5 72.0 43.0 -11.8 28.1 10.8 10 10 A L < - 0 0 20 -3,-0.6 2,-0.6 84,-0.1 -1,-0.2 -0.463 13.4-163.3 -73.0 136.2 -8.9 25.8 11.7 11 11 A D > - 0 0 73 -2,-0.2 3,-1.9 1,-0.1 4,-0.3 -0.869 1.7-169.9-117.5 90.7 -5.8 26.4 9.8 12 12 A I G > S+ 0 0 24 -2,-0.6 3,-1.1 1,-0.3 -1,-0.1 0.715 83.1 69.8 -57.2 -19.5 -3.8 23.2 10.4 13 13 A Q G > S+ 0 0 105 1,-0.2 3,-1.1 2,-0.2 -1,-0.3 0.915 98.1 53.1 -64.0 -32.8 -0.8 24.9 8.8 14 14 A K G < S+ 0 0 113 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.491 98.1 60.9 -79.9 -6.8 -0.8 27.0 11.9 15 15 A V G < S+ 0 0 4 -3,-1.1 -1,-0.2 -4,-0.3 31,-0.2 0.250 79.2 126.3-101.5 13.5 -0.7 24.2 14.4 16 16 A A < + 0 0 40 -3,-1.1 2,-0.3 -4,-0.1 31,-0.2 -0.407 50.2 26.6 -71.5 145.1 2.6 23.0 13.1 17 17 A G E S+A 46 0A 22 29,-2.5 29,-2.5 -2,-0.1 2,-0.3 -0.802 92.8 6.4 118.8-158.0 5.5 22.5 15.4 18 18 A T E +A 45 0A 75 -2,-0.3 2,-0.3 27,-0.2 27,-0.2 -0.551 55.9 174.6 -77.0 133.5 6.4 21.7 19.0 19 19 A W - 0 0 3 25,-1.8 2,-0.4 -2,-0.3 105,-0.2 -0.991 20.3-149.6-143.3 149.0 3.8 20.9 21.6 20 20 A Y E -D 123 0B 46 103,-2.6 103,-2.2 -2,-0.3 2,-1.6 -0.964 20.1-132.6-120.5 126.5 3.6 19.8 25.3 21 21 A S E +D 122 0B 0 22,-0.4 101,-0.2 -2,-0.4 3,-0.1 -0.638 35.3 169.4 -77.6 91.1 0.8 17.6 26.7 22 22 A L E + 0 0 0 99,-1.9 129,-2.3 -2,-1.6 2,-0.3 0.838 62.0 10.8 -73.1 -38.0 0.1 19.7 29.8 23 23 A A E -DE 121 150B 0 98,-1.2 98,-2.5 127,-0.2 2,-0.3 -0.982 61.4-169.2-144.2 151.7 -3.1 17.9 30.9 24 24 A M E +DE 120 149B 0 125,-2.3 125,-2.6 -2,-0.3 2,-0.3 -0.973 5.6 177.4-136.9 154.6 -5.0 14.7 30.0 25 25 A A E -DE 119 148B 1 94,-2.0 94,-3.0 -2,-0.3 2,-0.3 -0.982 2.4-177.1-159.2 143.2 -8.5 13.5 30.9 26 26 A A E -DE 118 147B 0 121,-1.7 120,-2.8 -2,-0.3 121,-1.3 -0.942 35.8-124.5-140.3 161.8 -10.4 10.4 29.9 27 27 A S S S+ 0 0 8 90,-1.8 2,-0.4 118,-0.3 91,-0.1 0.668 100.6 53.7 -81.9 -13.0 -13.9 9.0 30.6 28 28 A D S >> S- 0 0 65 89,-0.4 3,-1.6 1,-0.1 4,-0.7 -0.978 71.2-147.5-127.5 129.8 -12.3 5.8 31.9 29 29 A I H >> S+ 0 0 85 -2,-0.4 4,-2.1 1,-0.3 3,-1.1 0.898 98.0 64.3 -58.4 -38.9 -9.7 5.6 34.6 30 30 A S H 34 S+ 0 0 62 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.478 93.7 60.4 -66.9 -5.2 -8.2 2.5 32.9 31 31 A L H <4 S+ 0 0 25 -3,-1.6 8,-1.2 6,-0.1 -1,-0.2 0.765 121.6 20.7 -91.8 -29.9 -7.2 4.5 29.8 32 32 A L H << S+ 0 0 0 -3,-1.1 -2,-0.2 -4,-0.7 5,-0.2 0.469 94.3 112.2-114.2 -7.8 -4.9 6.9 31.6 33 33 A D S < S+ 0 0 100 -4,-2.1 2,-0.1 -5,-0.2 -3,-0.1 0.835 79.3 11.5 -29.2 -83.1 -4.2 4.8 34.7 34 34 A A S > S- 0 0 49 -4,-0.2 3,-1.2 1,-0.1 6,-0.1 -0.424 82.5 -99.7 -99.3-179.0 -0.6 3.8 34.5 35 35 A Q T 3 S+ 0 0 41 1,-0.3 26,-0.7 -2,-0.1 5,-0.1 0.800 126.6 49.0 -68.3 -31.7 2.4 4.9 32.3 36 36 A S T 3 S+ 0 0 75 24,-0.1 -1,-0.3 3,-0.1 -3,-0.1 0.377 83.3 131.9 -88.0 -0.1 1.8 1.8 30.2 37 37 A A X - 0 0 8 -3,-1.2 3,-2.2 -5,-0.2 24,-0.2 -0.312 69.8-113.7 -55.7 136.0 -1.9 2.6 29.9 38 38 A P T 3 S+ 0 0 67 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 0.776 110.1 32.0 -39.0 -52.9 -3.2 2.3 26.3 39 39 A L T 3 S+ 0 0 43 -8,-1.2 2,-1.3 1,-0.1 -7,-0.1 0.043 82.5 112.9-103.6 28.1 -4.0 6.0 25.7 40 40 A R < + 0 0 28 -3,-2.2 21,-0.6 21,-0.1 2,-0.3 -0.753 46.7 147.7 -96.1 80.4 -1.3 7.5 27.9 41 41 A V E - B 0 60A 34 -2,-1.3 2,-0.5 19,-0.1 19,-0.2 -0.911 39.6-140.0-117.7 148.9 0.6 9.1 25.0 42 42 A Y E - B 0 59A 0 17,-3.1 17,-2.1 -2,-0.3 2,-0.3 -0.932 16.0-129.7-115.3 128.8 2.6 12.3 24.9 43 43 A V E + B 0 58A 7 -2,-0.5 -22,-0.4 15,-0.2 15,-0.3 -0.575 29.8 167.7 -80.6 131.4 2.6 14.7 22.0 44 44 A E E - 0 0 66 13,-3.1 -25,-1.8 1,-0.4 2,-0.3 0.813 64.3 -6.8-102.9 -52.6 6.0 15.8 20.7 45 45 A E E -AB 18 57A 71 12,-1.9 12,-2.7 -27,-0.2 2,-0.5 -0.995 50.4-144.1-151.3 147.4 5.3 17.5 17.4 46 46 A L E -AB 17 56A 12 -29,-2.5 -29,-2.5 -2,-0.3 10,-0.2 -0.977 20.7-173.9-114.0 124.6 2.4 18.1 15.0 47 47 A K E - B 0 55A 76 8,-3.3 8,-3.6 -2,-0.5 2,-0.5 -0.902 10.1-155.9-125.5 103.0 3.3 18.0 11.3 48 48 A P E - B 0 54A 21 0, 0.0 6,-0.2 0, 0.0 5,-0.0 -0.668 15.3-141.3 -79.1 121.7 0.7 18.9 8.7 49 49 A T > - 0 0 17 4,-0.9 3,-2.1 -2,-0.5 -36,-0.0 -0.464 23.3-113.0 -77.6 153.8 1.4 17.4 5.2 50 50 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -37,-0.0 0.756 115.5 67.3 -58.8 -22.8 0.8 19.5 2.1 51 51 A E T 3 S- 0 0 141 1,-0.1 3,-0.1 24,-0.0 24,-0.0 0.713 122.8-104.9 -67.7 -22.3 -2.0 17.0 1.2 52 52 A G S < S+ 0 0 10 -3,-2.1 -40,-0.1 1,-0.3 -1,-0.1 0.320 81.8 123.8 114.0 -6.9 -3.9 18.3 4.2 53 53 A D - 0 0 37 21,-0.1 -4,-0.9 22,-0.1 2,-0.4 -0.083 57.3-124.6 -73.2-178.2 -3.3 15.3 6.5 54 54 A L E -BC 48 73A 9 19,-2.6 19,-3.2 -6,-0.2 2,-0.5 -0.911 10.5-153.1-140.3 107.9 -1.7 15.6 10.0 55 55 A E E -BC 47 72A 54 -8,-3.6 -8,-3.3 -2,-0.4 2,-0.5 -0.697 16.1-156.5 -79.6 121.3 1.4 13.6 11.0 56 56 A I E -BC 46 71A 20 15,-3.9 15,-2.2 -2,-0.5 2,-0.6 -0.881 6.8-164.0-104.6 126.7 1.4 13.2 14.8 57 57 A L E +BC 45 70A 25 -12,-2.7 -13,-3.1 -2,-0.5 -12,-1.9 -0.949 26.8 154.5-110.4 109.8 4.7 12.5 16.5 58 58 A L E -BC 43 69A 6 11,-1.8 11,-1.7 -2,-0.6 2,-0.3 -0.707 35.1-129.8-127.6 179.3 4.2 11.2 20.1 59 59 A Q E +BC 42 68A 1 -17,-2.1 -17,-3.1 9,-0.2 2,-0.3 -0.958 24.9 173.4-129.6 148.2 5.8 9.1 22.8 60 60 A K E -BC 41 67A 39 7,-2.3 7,-1.5 -2,-0.3 2,-1.1 -0.989 38.6-114.9-154.0 153.3 4.3 6.2 24.8 61 61 A W E + C 0 66A 58 -26,-0.7 5,-0.2 -21,-0.6 -21,-0.1 -0.829 50.7 150.4 -92.6 97.8 5.5 3.6 27.3 62 62 A E S S+ 0 0 96 -2,-1.1 -1,-0.2 3,-0.9 4,-0.1 0.861 73.4 1.0 -91.7 -55.3 5.0 0.5 25.3 63 63 A N S S- 0 0 116 2,-0.6 -2,-0.1 -3,-0.2 3,-0.1 0.748 117.8 -61.7 -96.5 -97.2 7.7 -1.8 26.7 64 64 A D S S+ 0 0 138 -28,-0.0 2,-0.3 0, 0.0 -3,-0.1 -0.219 116.3 77.0-150.2 35.3 9.8 -0.5 29.6 65 65 A E S S- 0 0 111 -5,-0.1 2,-1.6 95,-0.0 -3,-0.9 -0.969 92.7-103.6-147.5 153.8 11.2 2.3 27.4 66 66 A a E -C 61 0A 32 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.2 -0.669 48.8-164.9 -84.3 85.4 9.9 5.6 26.2 67 67 A A E -C 60 0A 15 -2,-1.6 -7,-2.3 -7,-1.5 2,-0.5 -0.501 12.8-134.2 -75.4 142.5 9.2 4.5 22.6 68 68 A Q E -C 59 0A 115 -9,-0.2 2,-0.3 -2,-0.2 -9,-0.2 -0.885 25.5-175.8-100.4 125.6 8.6 7.0 19.9 69 69 A K E -C 58 0A 93 -11,-1.7 -11,-1.8 -2,-0.5 2,-0.5 -0.824 17.0-146.8-118.4 157.6 5.6 6.4 17.6 70 70 A K E -C 57 0A 120 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.946 17.3-177.2-129.3 106.3 4.3 8.3 14.5 71 71 A I E -C 56 0A 56 -15,-2.2 -15,-3.9 -2,-0.5 2,-0.5 -0.780 13.1-149.5-100.9 148.1 0.6 8.4 13.8 72 72 A I E -C 55 0A 72 -2,-0.3 2,-0.7 -17,-0.3 13,-0.4 -0.985 4.0-159.1-122.4 122.2 -0.9 10.0 10.8 73 73 A A E -C 54 0A 0 -19,-3.2 -19,-2.6 -2,-0.5 2,-0.3 -0.919 13.3-146.1-103.6 114.7 -4.4 11.6 11.0 74 74 A E E -F 83 0B 85 9,-2.3 9,-2.9 -2,-0.7 -21,-0.1 -0.589 20.9-113.9 -80.1 138.7 -6.1 11.9 7.6 75 75 A K E -F 82 0B 125 -2,-0.3 2,-0.2 7,-0.2 7,-0.2 -0.297 31.0-161.8 -70.0 156.4 -8.3 14.9 7.0 76 76 A T - 0 0 39 5,-1.0 -1,-0.1 2,-0.6 5,-0.1 -0.586 43.7 -76.8-123.7-170.5 -12.1 14.5 6.5 77 77 A K S S+ 0 0 212 -2,-0.2 5,-0.1 2,-0.1 -2,-0.0 0.828 118.0 68.6 -59.8 -33.6 -14.9 16.7 5.1 78 78 A I S > S- 0 0 85 1,-0.1 3,-1.4 3,-0.1 -2,-0.6 -0.796 82.0-142.5 -89.6 122.8 -14.9 18.7 8.3 79 79 A P T 3 S+ 0 0 85 0, 0.0 -67,-0.1 0, 0.0 -1,-0.1 0.628 97.7 47.1 -60.7 -15.6 -11.6 20.8 8.7 80 80 A A T 3 S+ 0 0 1 -69,-0.0 14,-1.6 -5,-0.0 2,-0.4 0.546 100.9 74.1-103.1 -8.8 -11.4 20.2 12.5 81 81 A V E < - G 0 93B 19 -3,-1.4 -5,-1.0 12,-0.2 2,-0.3 -0.880 58.6-178.3-108.4 138.8 -12.0 16.5 12.5 82 82 A F E -FG 75 92B 4 10,-2.5 10,-2.6 -2,-0.4 2,-0.4 -0.889 18.8-127.0-131.9 163.1 -9.5 13.9 11.4 83 83 A K E -FG 74 91B 97 -9,-2.9 -9,-2.3 -2,-0.3 2,-0.4 -0.909 9.9-163.5-118.2 137.0 -9.3 10.1 11.1 84 84 A I E - G 0 90B 22 6,-2.4 6,-0.6 -2,-0.4 2,-0.2 -0.966 28.3-123.2-116.2 131.5 -6.8 7.6 12.5 85 85 A D + 0 0 135 -13,-0.4 2,-0.3 -2,-0.4 4,-0.1 -0.481 55.0 83.1 -83.0 150.0 -6.9 4.1 10.9 86 86 A A S S- 0 0 54 -2,-0.2 3,-0.0 1,-0.1 -2,-0.0 -0.973 92.5 -60.8 160.3-157.4 -7.4 0.6 12.5 87 87 A L S S+ 0 0 169 -2,-0.3 2,-0.6 2,-0.0 -1,-0.1 0.620 122.3 76.0 -85.4 -24.7 -10.2 -1.8 13.6 88 88 A N S S- 0 0 61 -3,-0.1 2,-1.7 1,-0.1 -4,-0.1 -0.823 84.0-143.3 -88.8 119.3 -11.0 1.0 15.9 89 89 A E + 0 0 123 -2,-0.6 21,-2.4 -4,-0.1 2,-0.3 -0.493 33.2 179.0 -85.2 67.9 -12.7 3.9 14.0 90 90 A N E -GH 84 109B 17 -2,-1.7 -6,-2.4 -6,-0.6 2,-0.3 -0.525 14.5-164.8 -80.5 135.0 -11.1 6.7 15.9 91 91 A K E -GH 83 108B 66 17,-2.6 17,-1.7 -2,-0.3 2,-0.4 -0.795 9.1-147.0-111.9 152.3 -11.7 10.4 15.1 92 92 A V E -GH 82 107B 10 -10,-2.6 -10,-2.5 -2,-0.3 2,-0.4 -0.983 15.5-165.0-119.9 135.5 -9.6 13.3 16.3 93 93 A L E -GH 81 106B 10 13,-2.6 13,-1.8 -2,-0.4 2,-0.7 -0.977 14.7-149.7-126.0 135.3 -11.3 16.6 17.1 94 94 A V E + H 0 105B 9 -14,-1.6 -87,-1.5 -2,-0.4 11,-0.3 -0.912 16.6 179.4-102.1 116.7 -9.7 20.0 17.6 95 95 A L E - 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