==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 08-DEC-09 3KZA . COMPND 2 MOLECULE: BETA-LACTOGLOBULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS, BOS TAURUS; . AUTHOR H.TSUGE,H.OHTOMO,H.UTSUNOMIYA,T.KONUMA,M.IKEGUCHI . 298 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14682.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 204 68.5 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 . 113 37.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 25 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 8.7 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 2 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 . 1 3 1 4 0 10 0 0 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 2 0 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 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 3 A I 0 0 131 0, 0.0 2,-0.1 0, 0.0 135,-0.0 0.000 360.0 360.0 360.0 99.4 21.9 -26.7 17.8 2 4 A P - 0 0 13 0, 0.0 2,-0.2 0, 0.0 97,-0.1 -0.351 360.0-120.9 -72.6 145.9 22.0 -30.2 16.2 3 5 A Q - 0 0 150 129,-0.1 2,-0.2 -2,-0.1 83,-0.0 -0.482 26.1-124.5 -83.2 152.9 21.2 -33.3 18.2 4 6 A T - 0 0 37 -2,-0.2 84,-0.3 1,-0.1 70,-0.1 -0.577 29.5 -88.3-102.6 159.2 23.6 -36.1 18.7 5 7 A M - 0 0 30 82,-2.7 2,-0.4 -2,-0.2 3,-0.4 -0.279 34.7-137.8 -60.3 143.8 23.4 -39.8 17.9 6 8 A Q S S+ 0 0 159 1,-0.2 -1,-0.0 82,-0.1 65,-0.0 -0.836 86.0 20.9 -94.8 148.3 22.0 -42.1 20.6 7 9 A D S S- 0 0 136 -2,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.813 77.8-176.6 67.1 36.9 23.8 -45.4 21.0 8 10 A L - 0 0 18 -3,-0.4 2,-1.2 1,-0.1 -1,-0.2 -0.530 18.6-152.4 -63.7 118.9 27.1 -44.4 19.4 9 11 A D > - 0 0 79 -2,-0.4 3,-1.7 1,-0.2 4,-0.3 -0.726 17.1-170.8 -90.7 87.6 29.5 -47.4 19.3 10 12 A L G > S+ 0 0 21 -2,-1.2 3,-2.0 1,-0.3 4,-0.2 0.825 75.2 58.0 -59.4 -42.3 32.6 -45.3 19.3 11 13 A Q G > S+ 0 0 96 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.821 96.7 66.5 -60.5 -26.6 35.2 -48.0 18.6 12 14 A E G < S+ 0 0 95 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.584 88.7 66.2 -71.7 -10.8 33.4 -48.8 15.3 13 15 A V G < S+ 0 0 1 -3,-2.0 31,-0.3 -4,-0.3 -1,-0.3 0.440 77.5 125.7 -86.9 -2.7 34.3 -45.4 13.8 14 16 A A < + 0 0 46 -3,-1.4 2,-0.2 -4,-0.2 31,-0.2 -0.205 49.1 26.5 -59.9 145.9 38.0 -46.3 13.8 15 17 A G E S+A 44 0A 23 29,-2.5 29,-1.8 2,-0.0 2,-0.2 -0.645 95.4 0.8 109.1-154.8 40.2 -46.0 10.7 16 18 A T E +A 43 0A 71 -2,-0.2 2,-0.3 27,-0.2 27,-0.3 -0.460 54.9 167.9 -83.6 137.0 40.2 -44.1 7.4 17 19 A W - 0 0 1 25,-1.5 2,-0.4 -2,-0.2 100,-0.2 -0.949 20.3-147.7-133.8 162.6 37.7 -41.4 6.5 18 20 A Y E -D 116 0B 53 98,-2.7 98,-2.6 -2,-0.3 2,-0.8 -0.995 23.3-119.8-127.6 144.5 37.4 -38.7 3.8 19 21 A S E +D 115 0B 6 22,-0.4 96,-0.2 -2,-0.4 3,-0.1 -0.661 35.0 170.3 -80.7 108.6 35.7 -35.3 4.1 20 22 A L E + 0 0 1 94,-2.7 124,-2.9 -2,-0.8 2,-0.3 0.831 64.3 4.6 -85.2 -40.9 33.0 -35.3 1.4 21 23 A A E -DE 114 143B 0 93,-1.5 93,-2.2 122,-0.2 2,-0.3 -0.988 58.0-166.6-146.8 153.4 31.2 -32.1 2.4 22 24 A M E +DE 113 142B 1 120,-2.2 120,-3.2 -2,-0.3 2,-0.3 -0.969 7.6 179.5-137.2 150.3 31.6 -29.2 4.9 23 25 A A E -DE 112 141B 0 89,-2.5 89,-2.9 -2,-0.3 2,-0.3 -0.984 2.8-176.6-150.8 151.9 29.1 -26.5 6.0 24 26 A A E -DE 111 140B 0 116,-2.1 115,-2.9 -2,-0.3 116,-1.6 -0.975 36.1-126.3-151.7 154.8 29.3 -23.6 8.5 25 27 A S S S+ 0 0 7 85,-2.3 2,-0.5 -2,-0.3 86,-0.1 0.780 101.3 49.6 -72.1 -25.8 27.3 -20.8 10.0 26 28 A D S > S- 0 0 40 84,-0.4 3,-0.9 1,-0.1 4,-0.4 -0.966 74.3-144.5-120.3 128.5 29.9 -18.2 9.0 27 29 A I G >> S+ 0 0 21 -2,-0.5 4,-1.4 1,-0.2 3,-1.4 0.862 98.3 61.9 -53.6 -41.5 31.2 -18.0 5.5 28 30 A S G 34 S+ 0 0 69 1,-0.3 -1,-0.2 2,-0.2 4,-0.2 0.757 90.7 67.5 -61.7 -29.2 34.7 -16.9 6.8 29 31 A L G <4 S+ 0 0 21 -3,-0.9 8,-2.3 1,-0.2 9,-0.4 0.787 121.3 13.7 -58.8 -30.6 35.2 -20.2 8.7 30 32 A L T <4 S+ 0 0 2 -3,-1.4 5,-0.2 -4,-0.4 -2,-0.2 0.467 91.9 109.7-123.9 -6.8 35.4 -22.3 5.4 31 33 A D S < S+ 0 0 19 -4,-1.4 2,-0.3 -5,-0.1 -3,-0.1 0.367 81.8 21.8 -68.8 -5.3 35.8 -19.8 2.6 32 34 A S S > S- 0 0 47 -4,-0.2 3,-1.4 -3,-0.1 6,-0.1 -0.920 86.9-102.0-145.0 172.4 39.5 -20.5 1.5 33 35 A E T 3 S+ 0 0 119 -2,-0.3 -2,-0.1 1,-0.3 -1,-0.0 0.693 126.0 53.3 -73.2 -10.0 41.8 -23.6 2.0 34 36 A S T 3 S+ 0 0 106 3,-0.0 -1,-0.3 5,-0.0 -3,-0.1 0.281 79.7 125.2-103.6 13.7 43.4 -21.6 4.7 35 37 A A S X S- 0 0 3 -3,-1.4 3,-1.2 -5,-0.2 -6,-0.1 -0.454 73.6-115.1 -66.5 143.7 40.1 -20.9 6.5 36 38 A P T 3 S+ 0 0 61 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 0.844 113.7 39.1 -51.8 -38.7 40.3 -22.1 10.2 37 39 A L T 3 S+ 0 0 3 -8,-2.3 2,-2.1 -9,-0.1 -7,-0.2 0.456 82.8 107.6 -99.3 6.7 37.7 -24.9 9.8 38 40 A R < + 0 0 3 -3,-1.2 2,-0.4 -9,-0.4 -1,-0.1 -0.535 49.2 143.1 -77.3 79.6 38.8 -26.0 6.3 39 41 A V - 0 0 1 -2,-2.1 2,-0.6 19,-0.1 19,-0.2 -0.977 44.0-143.4-127.3 133.1 40.3 -29.2 7.7 40 42 A Y E - B 0 57A 14 17,-3.0 17,-2.8 -2,-0.4 2,-0.3 -0.857 16.8-132.8-103.2 123.3 40.1 -32.5 6.0 41 43 A V E + B 0 56A 6 -2,-0.6 -22,-0.4 15,-0.2 15,-0.3 -0.524 29.9 168.3 -77.0 131.3 39.6 -35.6 8.1 42 44 A E E + 0 0 70 13,-3.0 -25,-1.5 1,-0.4 2,-0.3 0.727 63.6 4.3-109.1 -26.8 42.0 -38.5 7.4 43 45 A E E -AB 16 55A 58 12,-1.4 12,-2.7 -27,-0.3 2,-0.4 -0.991 49.7-148.4-157.7 143.7 41.5 -40.9 10.4 44 46 A L E -AB 15 54A 9 -29,-1.8 -29,-2.5 -2,-0.3 10,-0.2 -0.984 19.8-172.3-112.3 128.6 39.4 -41.3 13.5 45 47 A K E - B 0 53A 88 8,-3.1 8,-2.2 -2,-0.4 -34,-0.1 -0.820 6.7-159.6-129.7 82.7 41.3 -43.0 16.3 46 48 A P E - B 0 52A 20 0, 0.0 6,-0.2 0, 0.0 -31,-0.0 -0.315 17.0-134.4 -59.5 150.4 39.2 -43.9 19.3 47 49 A T > - 0 0 25 4,-2.1 3,-2.0 1,-0.1 -36,-0.0 -0.717 20.6-109.1-108.5 160.1 41.2 -44.6 22.4 48 50 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -37,-0.1 0.801 118.1 57.7 -53.9 -31.7 40.9 -47.4 25.0 49 51 A E T 3 S- 0 0 118 1,-0.0 3,-0.1 19,-0.0 19,-0.0 0.561 123.3 -99.9 -75.8 -13.3 39.5 -44.9 27.5 50 52 A G S < S+ 0 0 22 -3,-2.0 2,-0.1 1,-0.3 -40,-0.1 0.553 82.6 124.8 99.9 9.0 36.6 -43.8 25.3 51 53 A D - 0 0 22 16,-0.1 -4,-2.1 17,-0.1 2,-0.4 -0.382 54.4-127.1 -91.0-178.9 38.1 -40.6 23.9 52 54 A L E -BC 46 66A 5 14,-3.4 14,-3.5 -6,-0.2 2,-0.4 -0.936 11.6-159.4-141.7 113.0 38.5 -39.8 20.2 53 55 A E E -BC 45 65A 27 -8,-2.2 -8,-3.1 -2,-0.4 2,-0.5 -0.775 11.3-160.8 -89.9 138.8 41.6 -38.7 18.4 54 56 A I E -BC 44 64A 12 10,-3.3 10,-2.4 -2,-0.4 2,-0.5 -0.964 1.8-160.4-122.7 119.8 41.0 -37.0 15.1 55 57 A L E +BC 43 63A 13 -12,-2.7 -13,-3.0 -2,-0.5 -12,-1.4 -0.882 19.7 177.4-101.5 134.1 43.7 -36.7 12.5 56 58 A L E -BC 41 62A 4 6,-2.7 6,-2.3 -2,-0.5 2,-0.4 -0.882 24.1-138.3-135.7 157.9 43.3 -34.0 9.8 57 59 A Q E BC 40 61A 81 -17,-2.8 -17,-3.0 -2,-0.3 4,-0.2 -0.917 360.0 360.0-111.0 138.1 45.1 -32.4 6.8 58 60 A K 0 0 86 2,-3.3 -19,-0.1 -2,-0.4 -25,-0.0 -0.854 360.0 360.0-109.9 360.0 45.3 -28.8 6.1 59 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 60 67 A A 0 0 91 0, 0.0 -2,-3.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 133.9 50.0 -29.9 6.9 61 68 A Q E -C 57 0A 133 -4,-0.2 2,-0.3 -6,-0.0 -4,-0.2 -0.682 360.0-167.9-101.9 156.9 48.9 -32.4 9.5 62 69 A K E -C 56 0A 57 -6,-2.3 -6,-2.7 -2,-0.3 2,-0.4 -0.993 7.1-158.2-143.3 138.8 46.8 -31.7 12.6 63 70 A K E -C 55 0A 137 -2,-0.3 2,-0.4 -8,-0.2 -8,-0.2 -0.992 12.4-179.4-124.4 122.3 46.1 -34.0 15.6 64 71 A I E -C 54 0A 8 -10,-2.4 -10,-3.3 -2,-0.4 2,-0.6 -0.981 14.3-153.8-123.2 125.1 43.0 -33.2 17.9 65 72 A I E -C 53 0A 79 -2,-0.4 2,-0.6 -12,-0.2 -12,-0.3 -0.921 9.1-156.5-102.3 120.8 42.1 -35.3 20.9 66 73 A A E -C 52 0A 0 -14,-3.5 -14,-3.4 -2,-0.6 2,-0.3 -0.870 12.8-142.6 -98.2 117.3 38.4 -35.2 21.8 67 74 A E E -F 76 0B 90 9,-2.6 9,-2.5 -2,-0.6 -16,-0.1 -0.620 19.3-110.5 -87.2 136.3 37.7 -36.0 25.4 68 75 A K E -F 75 0B 117 -2,-0.3 2,-0.2 7,-0.2 7,-0.1 -0.047 31.4-173.5 -59.3 159.8 34.7 -38.0 26.4 69 76 A T - 0 0 53 5,-0.5 5,-0.1 2,-0.5 -1,-0.1 -0.752 49.0 -83.9-138.0-176.6 31.7 -36.6 28.3 70 77 A E S S+ 0 0 200 -2,-0.2 5,-0.1 3,-0.1 -2,-0.1 0.682 115.1 77.5 -71.9 -16.3 28.6 -38.3 29.9 71 78 A S S > S- 0 0 45 3,-0.2 3,-1.7 1,-0.1 -2,-0.5 -0.880 79.0-148.0 -94.3 121.0 27.1 -38.1 26.4 72 79 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -62,-0.1 0.657 96.9 45.3 -63.3 -21.2 28.6 -40.9 24.2 73 80 A A T 3 S+ 0 0 0 -68,-0.2 14,-3.1 13,-0.0 2,-0.4 0.266 100.6 78.0-108.3 7.0 28.3 -38.7 21.1 74 81 A E E < + G 0 86B 47 -3,-1.7 -5,-0.5 12,-0.2 2,-0.3 -0.964 55.9 178.7-119.3 136.6 29.6 -35.4 22.6 75 82 A F E -FG 68 85B 4 10,-2.8 10,-2.4 -2,-0.4 2,-0.4 -0.925 23.6-126.0-132.9 156.3 33.3 -34.7 23.1 76 83 A K E +FG 67 84B 86 -9,-2.5 -9,-2.6 -2,-0.3 2,-0.3 -0.884 30.2 174.7-104.4 137.0 35.3 -31.8 24.4 77 84 A I E - 0 0 8 6,-1.7 2,-0.1 -2,-0.4 -11,-0.1 -0.852 28.4-153.6-134.7 170.8 38.2 -30.3 22.4 78 85 A D E + 0 0 165 -2,-0.3 2,-0.3 -13,-0.2 5,-0.2 -0.620 62.9 86.1-144.0 70.7 40.5 -27.3 22.6 79 86 A A E > S+ G 0 82B 21 3,-1.3 3,-2.1 -2,-0.1 -2,-0.1 -0.978 73.0 28.1-170.0 153.0 41.5 -26.5 19.0 80 87 A L T 3 S- 0 0 26 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.751 122.3 -72.5 58.3 26.0 40.4 -24.5 16.0 81 88 A D T 3 S+ 0 0 150 1,-0.2 2,-0.3 2,-0.0 -1,-0.3 0.825 111.7 114.1 53.5 32.4 38.7 -22.1 18.4 82 89 A E E < -G 79 0B 7 -3,-2.1 -3,-1.3 1,-0.1 20,-0.3 -0.903 45.7-172.9-123.5 161.0 36.1 -24.8 19.0 83 90 A N E + 0 0 38 18,-2.4 -6,-1.7 -2,-0.3 2,-0.4 0.457 63.3 54.9-133.2 0.5 35.3 -26.7 22.2 84 91 A K E -GH 76 101B 42 17,-2.0 17,-1.8 -8,-0.3 2,-0.4 -0.992 51.2-166.0-138.0 140.4 32.8 -29.4 21.4 85 92 A V E -GH 75 100B 4 -10,-2.4 -10,-2.8 -2,-0.4 2,-0.4 -0.984 14.7-168.7-118.7 134.1 32.6 -32.2 18.8 86 93 A L E -GH 74 99B 1 13,-2.9 13,-1.9 -2,-0.4 2,-0.7 -0.993 16.2-144.5-126.5 129.5 29.2 -33.8 18.2 87 94 A V E - H 0 98B 4 -14,-3.1 -82,-2.7 -2,-0.4 11,-0.3 -0.817 18.2-177.7 -95.9 119.9 28.6 -37.0 16.3 88 95 A L E - 0 0 19 9,-2.8 2,-0.3 -2,-0.7 10,-0.2 0.878 58.6 -28.4 -83.6 -44.6 25.3 -36.6 14.6 89 96 A D E + H 0 97B 55 8,-1.3 8,-3.1 -84,-0.1 -1,-0.3 -0.925 58.9 167.1-170.0 148.3 24.8 -39.9 12.8 90 97 A T E - H 0 96B 6 -2,-0.3 6,-0.2 6,-0.2 -77,-0.0 -0.962 30.9-156.7-158.1 160.1 26.8 -42.8 11.4 91 98 A D - 0 0 55 4,-1.7 2,-3.2 -2,-0.3 5,-0.1 0.076 41.9-135.9-119.9 13.3 26.5 -46.3 10.1 92 99 A Y S S+ 0 0 29 3,-0.6 4,-0.1 1,-0.2 0, 0.0 -0.066 93.2 62.0 74.9 -44.9 30.2 -47.0 10.8 93 100 A K S S+ 0 0 166 -2,-3.2 -1,-0.2 2,-0.1 3,-0.1 0.692 120.5 6.9 -91.0 -19.4 30.8 -48.7 7.5 94 101 A N S S+ 0 0 86 1,-0.4 23,-1.9 23,-0.1 24,-0.4 0.703 117.9 13.9-129.5 -48.4 30.0 -46.0 5.0 95 102 A Y E - I 0 116B 17 21,-0.2 -4,-1.7 22,-0.1 -3,-0.6 -0.969 44.6-170.3-140.3 157.7 29.3 -42.5 6.3 96 103 A L E -HI 90 115B 3 19,-2.1 19,-3.2 -2,-0.3 2,-0.5 -0.970 7.1-160.6-149.7 133.9 29.6 -40.3 9.4 97 104 A L E +HI 89 114B 5 -8,-3.1 -9,-2.8 -2,-0.3 -8,-1.3 -0.945 20.8 159.8-115.4 131.3 28.3 -36.8 10.2 98 105 A F E -HI 87 113B 13 15,-1.7 15,-2.6 -2,-0.5 2,-0.3 -0.942 20.4-154.8-142.8 165.2 29.7 -34.5 12.9 99 106 A a E -HI 86 112B 0 -13,-1.9 -13,-2.9 -2,-0.3 2,-0.4 -0.920 4.5-153.4-133.3 157.7 29.8 -30.9 13.9 100 107 A M E +HI 85 111B 9 11,-2.1 11,-2.5 -2,-0.3 2,-0.3 -0.962 23.1 166.8-125.6 148.4 32.1 -28.8 16.0 101 108 A E E -H 84 0B 10 -17,-1.8 -18,-2.4 -2,-0.4 -17,-2.0 -0.959 43.5-119.6-151.6 161.1 31.0 -25.7 17.8 102 109 A N > - 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