==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT 29-AUG-98 3BLG . COMPND 2 MOLECULE: BETA-LACTOGLOBULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.Y.QIN,M.C.BEWLEY,L.K.CREAMER,H.M.BAKER,E.N.BAKER, . 162 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8380.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 74.1 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 . 56 34.6 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 . 25 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.9 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 1 1 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 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, 0.0 109,-0.0 0.000 360.0 360.0 360.0 29.9 -20.8 13.4 17.9 2 2 A I + 0 0 40 1,-0.2 2,-0.6 111,-0.0 106,-0.0 0.525 360.0 73.9-121.4 -43.1 -20.3 13.6 21.6 3 3 A V - 0 0 14 1,-0.1 -1,-0.2 103,-0.0 137,-0.1 -0.689 61.7-176.0 -76.4 121.2 -17.8 16.4 21.6 4 4 A T + 0 0 128 -2,-0.6 2,-0.5 135,-0.2 -1,-0.1 0.327 55.1 84.8-100.5 0.6 -19.7 19.5 20.7 5 5 A Q + 0 0 73 134,-0.1 2,-0.3 88,-0.0 91,-0.1 -0.938 50.7 160.5-111.7 121.7 -16.8 21.9 20.5 6 6 A T - 0 0 69 -2,-0.5 2,-0.5 99,-0.0 89,-0.3 -0.982 43.4-101.1-138.7 151.6 -14.8 22.3 17.3 7 7 A M > - 0 0 37 87,-2.2 3,-0.7 -2,-0.3 2,-0.6 -0.590 30.2-141.7 -73.7 116.8 -12.5 24.9 15.8 8 8 A K T 3 S+ 0 0 202 -2,-0.5 -1,-0.0 1,-0.3 87,-0.0 -0.719 85.3 5.6 -79.8 119.9 -14.2 27.0 13.3 9 9 A G T 3 S- 0 0 61 -2,-0.6 2,-0.3 1,-0.2 -1,-0.3 0.933 79.8-167.5 75.6 54.0 -11.7 27.6 10.5 10 10 A L < - 0 0 18 -3,-0.7 2,-0.9 84,-0.1 -1,-0.2 -0.539 11.0-155.4 -76.7 132.2 -8.6 25.5 11.5 11 11 A D >> - 0 0 76 -2,-0.3 3,-1.2 1,-0.1 4,-0.6 -0.876 5.1-165.0-106.2 96.0 -5.5 26.3 9.6 12 12 A I T 34 S+ 0 0 20 -2,-0.9 3,-0.3 1,-0.3 -1,-0.1 0.694 83.7 63.1 -57.8 -18.6 -3.6 23.0 9.9 13 13 A Q T >4 S+ 0 0 101 1,-0.2 3,-1.2 2,-0.1 -1,-0.3 0.871 97.5 55.7 -74.6 -35.5 -0.4 24.7 8.7 14 14 A K T <4 S+ 0 0 120 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.668 98.1 61.3 -73.0 -14.8 -0.3 27.1 11.7 15 15 A V T 3< S+ 0 0 1 -4,-0.6 -1,-0.3 -3,-0.3 31,-0.2 0.276 80.3 122.5 -92.6 9.3 -0.4 24.2 14.3 16 16 A A < + 0 0 36 -3,-1.2 2,-0.2 29,-0.1 31,-0.2 -0.315 48.5 41.2 -68.3 155.8 2.9 22.9 12.9 17 17 A G E S-A 46 0A 26 29,-2.6 29,-2.9 2,-0.0 2,-0.3 -0.682 93.8 -12.2 112.8-164.8 5.8 22.5 15.2 18 18 A T E +A 45 0A 81 -2,-0.2 2,-0.3 27,-0.2 27,-0.2 -0.614 55.1 177.7 -85.2 137.1 6.6 21.4 18.7 19 19 A W - 0 0 5 25,-1.2 2,-0.4 -2,-0.3 105,-0.2 -0.932 19.0-142.6-136.1 156.9 3.9 20.7 21.4 20 20 A Y E -D 123 0B 49 103,-2.3 103,-2.4 -2,-0.3 2,-1.5 -0.984 18.9-130.3-124.0 130.8 3.8 19.5 25.0 21 21 A S E +D 122 0B 0 22,-0.5 101,-0.2 -2,-0.4 3,-0.1 -0.630 35.7 169.6 -78.0 89.4 1.1 17.3 26.4 22 22 A L E + 0 0 0 99,-1.7 129,-2.3 -2,-1.5 2,-0.3 0.840 63.4 1.7 -72.1 -35.2 0.3 19.4 29.6 23 23 A A E -DE 121 150B 0 98,-1.1 98,-2.3 127,-0.2 2,-0.3 -0.990 60.5-168.5-152.6 151.4 -2.8 17.5 30.6 24 24 A M E -DE 120 149B 0 125,-2.0 125,-3.0 -2,-0.3 2,-0.3 -0.992 4.4-176.0-144.1 147.0 -4.9 14.5 29.5 25 25 A A E -DE 119 148B 1 94,-2.6 94,-3.2 -2,-0.3 2,-0.3 -0.976 3.0-177.2-142.6 152.2 -8.3 13.2 30.5 26 26 A A E -DE 118 147B 0 121,-1.8 120,-3.1 -2,-0.3 121,-1.5 -0.957 36.8-121.8-147.8 163.6 -10.3 10.1 29.5 27 27 A S S S+ 0 0 7 90,-1.9 2,-0.5 118,-0.3 91,-0.1 0.634 100.1 55.2 -82.3 -13.5 -13.7 8.6 30.1 28 28 A D S >> S- 0 0 60 89,-0.4 3,-1.6 1,-0.1 4,-0.5 -0.972 70.0-148.0-128.3 128.5 -12.1 5.5 31.5 29 29 A I H >> S+ 0 0 86 -2,-0.5 3,-1.3 1,-0.3 4,-1.2 0.895 101.7 56.4 -57.0 -40.5 -9.6 5.3 34.3 30 30 A S H 34 S+ 0 0 61 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.612 93.3 70.1 -69.0 -12.5 -7.9 2.3 32.7 31 31 A L H <4 S+ 0 0 17 -3,-1.6 8,-1.1 1,-0.2 -1,-0.2 0.763 120.4 14.5 -76.4 -23.4 -7.3 4.3 29.5 32 32 A L H << S+ 0 0 0 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.2 0.285 96.2 118.4-131.2 2.9 -4.7 6.5 31.2 33 33 A D S < S+ 0 0 93 -4,-1.2 2,-0.1 -5,-0.2 -3,-0.1 0.885 74.1 12.5 -33.6 -85.9 -4.0 4.5 34.4 34 34 A A S > S- 0 0 51 -4,-0.2 3,-1.5 1,-0.1 6,-0.1 -0.426 86.3 -97.1 -94.7 178.1 -0.3 3.4 34.4 35 35 A Q T 3 S+ 0 0 47 1,-0.3 26,-0.5 -2,-0.1 5,-0.1 0.755 126.1 54.9 -66.3 -23.8 2.6 4.6 32.2 36 36 A S T 3 S+ 0 0 81 24,-0.1 -1,-0.3 3,-0.0 -3,-0.1 0.357 77.7 132.9 -91.0 1.4 1.9 1.5 30.1 37 37 A A X - 0 0 7 -3,-1.5 3,-1.9 -5,-0.1 24,-0.1 -0.278 65.7-120.9 -54.2 137.9 -1.8 2.4 29.5 38 38 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 0.805 109.2 39.1 -52.7 -38.0 -2.7 2.0 25.8 39 39 A L T 3 S+ 0 0 2 -8,-1.1 2,-1.2 1,-0.1 -8,-0.1 0.087 82.4 110.8-105.2 26.7 -3.9 5.7 25.3 40 40 A R < + 0 0 29 -3,-1.9 21,-0.4 21,-0.1 2,-0.3 -0.746 45.7 149.1 -98.0 80.7 -1.1 7.3 27.4 41 41 A V - 0 0 12 -2,-1.2 2,-0.5 19,-0.1 19,-0.2 -0.910 38.6-143.3-117.6 147.7 0.8 9.0 24.6 42 42 A Y E - B 0 59A 0 17,-2.6 17,-2.6 -2,-0.3 2,-0.1 -0.954 17.5-132.6-115.3 120.2 2.8 12.2 24.7 43 43 A V E + B 0 58A 6 -2,-0.5 -22,-0.5 15,-0.2 15,-0.2 -0.466 29.7 168.6 -71.3 137.0 2.7 14.5 21.6 44 44 A E E - 0 0 60 13,-2.8 -25,-1.2 1,-0.4 2,-0.3 0.671 61.9 -3.4-115.2 -42.9 6.2 15.8 20.5 45 45 A E E -AB 18 57A 68 12,-1.5 12,-2.4 -27,-0.2 2,-0.5 -0.991 49.5-149.2-158.2 142.4 5.6 17.4 17.1 46 46 A L E -AB 17 56A 12 -29,-2.9 -29,-2.6 -2,-0.3 10,-0.2 -0.971 16.1-176.5-114.4 127.9 2.8 18.0 14.6 47 47 A K E - B 0 55A 72 8,-3.0 8,-2.5 -2,-0.5 2,-0.4 -0.880 13.3-152.6-127.1 97.3 3.9 18.2 10.9 48 48 A P E - B 0 54A 20 0, 0.0 6,-0.3 0, 0.0 5,-0.1 -0.577 16.3-139.0 -72.6 124.6 1.1 19.0 8.4 49 49 A T > - 0 0 19 4,-1.3 3,-1.8 -2,-0.4 -36,-0.0 -0.456 19.7-115.3 -80.1 155.4 1.8 17.6 5.0 50 50 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -37,-0.0 0.832 113.0 68.2 -58.3 -30.5 1.1 19.6 1.8 51 51 A E T 3 S- 0 0 142 1,-0.1 3,-0.1 0, 0.0 -2,-0.0 0.579 121.8-103.3 -64.7 -13.2 -1.6 17.0 0.8 52 52 A G S < S+ 0 0 18 -3,-1.8 -1,-0.1 1,-0.4 -40,-0.1 0.075 86.1 114.6 111.3 -24.7 -3.7 18.2 3.8 53 53 A D - 0 0 31 22,-0.1 -4,-1.3 21,-0.1 2,-0.4 -0.032 60.0-126.6 -66.6-178.9 -3.0 15.3 6.2 54 54 A L E -BC 48 73A 9 19,-2.5 19,-3.2 -6,-0.3 2,-0.5 -0.999 7.1-145.0-139.3 129.7 -1.1 15.7 9.5 55 55 A E E -BC 47 72A 53 -8,-2.5 -8,-3.0 -2,-0.4 2,-0.5 -0.850 16.8-163.7 -95.4 129.2 1.9 13.8 10.7 56 56 A I E -BC 46 71A 18 15,-3.5 15,-2.8 -2,-0.5 2,-0.5 -0.964 6.0-165.4-117.2 127.0 1.9 13.2 14.5 57 57 A L E +BC 45 70A 33 -12,-2.4 -13,-2.8 -2,-0.5 -12,-1.5 -0.963 21.9 167.1-110.0 122.3 5.1 12.2 16.3 58 58 A L E -BC 43 69A 11 11,-2.7 11,-3.1 -2,-0.5 2,-0.3 -0.919 30.3-130.4-136.1 160.6 4.5 10.9 19.8 59 59 A Q E +BC 42 68A 2 -17,-2.6 -17,-2.6 -2,-0.3 2,-0.3 -0.829 26.3 172.5-108.0 148.7 6.2 9.1 22.6 60 60 A K E - C 0 67A 22 7,-3.2 7,-2.2 -2,-0.3 2,-0.9 -0.964 37.3-122.4-157.8 134.6 4.8 6.1 24.4 61 61 A W E + C 0 66A 60 -26,-0.5 5,-0.2 -21,-0.4 -21,-0.1 -0.756 46.2 164.4 -79.1 107.8 6.2 3.7 27.0 62 62 A E - 0 0 88 3,-1.6 -1,-0.2 -2,-0.9 4,-0.1 0.857 63.1 -6.6 -92.6 -87.8 5.7 0.4 25.0 63 63 A N S S- 0 0 142 2,-0.3 -2,-0.1 1,-0.0 3,-0.1 0.965 126.9 -50.3 -73.9 -77.6 7.7 -2.7 26.3 64 64 A D S S+ 0 0 138 1,-0.1 2,-0.3 -28,-0.0 -3,-0.1 -0.040 120.2 69.4-154.8 37.3 9.9 -1.2 29.0 65 65 A E S S- 0 0 142 -5,-0.1 -3,-1.6 0, 0.0 2,-1.2 -0.973 91.8 -93.7-154.0 147.5 11.5 1.8 27.2 66 66 A a E -C 61 0A 34 -2,-0.3 -5,-0.3 -5,-0.2 2,-0.2 -0.553 48.9-164.0 -71.3 98.4 10.1 5.1 25.9 67 67 A A E -C 60 0A 21 -7,-2.2 -7,-3.2 -2,-1.2 2,-0.5 -0.545 13.3-140.3 -87.0 144.9 9.3 4.4 22.3 68 68 A Q E -C 59 0A 126 -9,-0.2 2,-0.3 -2,-0.2 -9,-0.2 -0.939 23.3-173.1-104.7 123.4 8.7 7.1 19.7 69 69 A K E -C 58 0A 78 -11,-3.1 -11,-2.7 -2,-0.5 2,-0.5 -0.892 16.6-142.9-119.4 148.6 5.9 6.3 17.3 70 70 A K E +C 57 0A 122 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.960 21.8 178.9-115.6 115.6 4.8 8.1 14.1 71 71 A I E -C 56 0A 30 -15,-2.8 -15,-3.5 -2,-0.5 2,-0.4 -0.866 14.9-147.1-113.1 150.4 1.0 8.3 13.5 72 72 A I E -C 55 0A 75 -2,-0.3 2,-0.6 -17,-0.2 13,-0.4 -0.975 1.6-155.3-124.8 132.5 -0.6 10.1 10.5 73 73 A A E -C 54 0A 0 -19,-3.2 -19,-2.5 -2,-0.4 2,-0.3 -0.937 12.4-148.9-108.6 112.8 -4.0 11.8 10.6 74 74 A E E -F 83 0B 75 9,-2.3 9,-2.7 -2,-0.6 -21,-0.1 -0.622 21.6-119.8 -80.0 137.3 -5.8 12.0 7.2 75 75 A K E -F 82 0B 123 -2,-0.3 2,-0.2 7,-0.2 7,-0.2 -0.210 29.1-164.4 -72.0 168.6 -8.0 15.1 6.8 76 76 A T - 0 0 40 5,-0.8 -1,-0.1 2,-0.6 5,-0.1 -0.650 43.4 -72.5-136.9-167.1 -11.8 14.9 6.0 77 77 A K S S+ 0 0 201 -2,-0.2 5,-0.0 2,-0.1 -2,-0.0 0.821 119.5 62.6 -63.7 -34.4 -14.6 17.1 4.8 78 78 A I S > S- 0 0 94 1,-0.1 3,-1.3 3,-0.1 -2,-0.6 -0.853 83.3-142.3 -94.5 125.7 -14.6 18.9 8.1 79 79 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -67,-0.1 0.584 97.8 50.6 -64.1 -12.1 -11.3 20.8 8.6 80 80 A A T 3 S+ 0 0 1 13,-0.0 14,-2.2 -5,-0.0 2,-0.4 0.487 98.2 77.9-103.6 -5.1 -11.1 20.1 12.4 81 81 A V E < + G 0 93B 21 -3,-1.3 -5,-0.8 12,-0.2 2,-0.3 -0.882 57.1 179.9-109.4 137.2 -11.8 16.4 12.1 82 82 A F E -FG 75 92B 4 10,-2.6 10,-2.6 -2,-0.4 2,-0.3 -0.980 18.0-137.7-135.5 148.0 -9.1 13.8 11.1 83 83 A K E -FG 74 91B 119 -9,-2.7 -9,-2.3 -2,-0.3 2,-0.4 -0.772 13.2-169.9-106.2 146.7 -9.1 10.0 10.7 84 84 A I - 0 0 9 6,-2.1 2,-1.1 -2,-0.3 -11,-0.1 -0.997 18.5-155.5-136.4 125.9 -6.3 7.7 11.9 85 85 A D S S+ 0 0 163 -13,-0.4 5,-0.1 -2,-0.4 3,-0.1 -0.591 77.1 80.1 -94.2 63.1 -6.2 4.0 10.9 86 86 A A S S+ 0 0 54 -2,-1.1 2,-0.4 3,-0.4 -13,-0.0 0.167 72.7 30.4-130.4-113.5 -4.2 3.5 14.0 87 87 A L S S- 0 0 49 1,-0.1 2,-1.8 3,-0.0 -1,-0.2 -0.513 100.6 -76.0 -71.7 122.7 -4.9 3.1 17.8 88 88 A N S S+ 0 0 86 -2,-0.4 -1,-0.1 -3,-0.1 28,-0.0 0.028 118.6 55.1 27.1 -65.5 -8.2 1.5 18.8 89 89 A E - 0 0 4 -2,-1.8 -3,-0.4 20,-0.1 20,-0.3 0.130 66.5-159.8 -72.0-169.8 -10.2 4.7 18.0 90 90 A N + 0 0 56 18,-1.8 -6,-2.1 1,-0.2 2,-0.3 0.529 55.2 81.2-152.5 -25.3 -10.3 6.6 14.7 91 91 A K E -GH 83 108B 76 17,-2.0 17,-2.1 -8,-0.2 2,-0.5 -0.748 46.3-169.1 -98.5 139.6 -11.5 10.2 14.9 92 92 A V E -GH 82 107B 12 -10,-2.6 -10,-2.6 -2,-0.3 2,-0.4 -0.994 9.1-171.2-124.6 120.9 -9.4 13.2 16.0 93 93 A L E -GH 81 106B 12 13,-2.2 13,-1.7 -2,-0.5 2,-0.7 -0.968 16.5-144.2-116.7 134.1 -11.3 16.4 16.6 94 94 A V E - H 0 105B 8 -14,-2.2 -87,-2.2 -2,-0.4 11,-0.2 -0.855 17.2-176.4 -97.5 114.0 -9.6 19.8 17.3 95 95 A L E - 0 0 3 9,-2.1 2,-0.3 -2,-0.7 10,-0.2 0.891 58.4 -23.8 -77.8 -45.5 -11.7 21.7 19.8 96 96 A D E + H 0 104B 34 8,-1.1 8,-1.9 -89,-0.1 -1,-0.2 -0.965 58.2 167.0-161.8 164.1 -9.9 25.1 20.1 97 97 A T E - H 0 103B 5 -2,-0.3 6,-0.2 6,-0.2 -82,-0.0 -0.788 30.3-157.6 177.4 140.8 -6.5 26.7 19.6 98 98 A D - 0 0 44 4,-0.9 2,-1.6 -2,-0.2 5,-0.1 0.200 44.8-131.7-107.2 9.6 -4.8 30.1 19.4 99 99 A Y S S+ 0 0 40 3,-0.6 4,-0.0 1,-0.2 0, 0.0 -0.090 94.7 59.1 68.1 -34.2 -1.9 28.5 17.4 100 100 A K S S+ 0 0 134 -2,-1.6 -1,-0.2 23,-0.0 3,-0.1 0.681 118.9 14.8 -97.0 -23.1 0.9 30.2 19.5 101 101 A K S S+ 0 0 68 1,-0.3 23,-2.5 22,-0.1 24,-0.3 0.767 116.5 7.6-116.2 -59.3 0.0 28.9 23.0 102 102 A Y E - 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