==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIPID BINDING PROTEIN 23-SEP-08 3ELZ . COMPND 2 MOLECULE: ILEAL BILE ACID-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DANIO RERIO; . AUTHOR S.CAPALDI,G.SACCOMANI,D.FESSAS,M.SIGNORELLI,M.PERDUCA,H.L.MO . 401 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 307 76.6 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 . 195 48.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 15 3.7 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 . 48 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 4 1 0 0 0 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 0 2 7 3 2 4 7 2 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 . 3 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 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 G 0 0 84 0, 0.0 45,-0.8 0, 0.0 43,-0.0 0.000 360.0 360.0 360.0 140.3 -8.6 -17.0 -10.8 2 0 A S > + 0 0 90 43,-0.1 3,-2.0 3,-0.1 42,-0.1 0.390 360.0 111.1-141.1 -9.9 -11.8 -15.8 -9.1 3 1 A A T 3 S+ 0 0 68 1,-0.3 101,-0.0 102,-0.0 0, 0.0 0.710 82.9 44.0 -42.0 -37.9 -10.4 -13.7 -6.1 4 2 A F T 3 S+ 0 0 7 101,-0.0 -1,-0.3 106,-0.0 38,-0.2 0.630 85.7 122.0 -88.1 -15.1 -11.7 -10.3 -7.6 5 3 A N < + 0 0 64 -3,-2.0 2,-0.2 39,-0.1 38,-0.2 -0.152 51.8 33.7 -61.2 135.7 -15.1 -11.5 -8.6 6 4 A G E S-A 42 0A 4 36,-2.3 36,-2.6 2,-0.0 2,-0.4 -0.760 91.2 -41.7 123.3-166.7 -18.2 -9.7 -7.3 7 5 A K E -A 41 0A 86 125,-0.4 125,-2.9 -2,-0.2 2,-0.3 -0.884 50.1-173.3-111.0 129.4 -19.6 -6.4 -6.1 8 6 A W E -AB 40 131A 9 32,-3.4 32,-2.6 -2,-0.4 2,-0.4 -0.908 8.3-158.3-126.0 149.4 -17.4 -4.0 -3.9 9 7 A E E -AB 39 130A 66 121,-2.7 121,-2.5 -2,-0.3 30,-0.2 -0.993 27.6-108.3-133.5 133.3 -18.1 -0.7 -2.1 10 8 A T E + B 0 129A 3 28,-2.4 119,-0.3 -2,-0.4 3,-0.1 -0.279 39.1 163.5 -57.6 132.8 -15.7 2.0 -1.0 11 9 A E E + 0 0 73 117,-2.9 2,-0.3 1,-0.4 118,-0.2 0.585 63.8 15.2-119.9 -28.5 -15.3 2.2 2.8 12 10 A S E - B 0 128A 34 116,-1.7 116,-2.5 2,-0.0 -1,-0.4 -0.998 48.1-166.5-147.6 150.3 -12.1 4.2 3.2 13 11 A Q E - B 0 127A 38 -2,-0.3 2,-0.4 114,-0.2 3,-0.3 -0.953 13.0-172.0-132.9 115.6 -9.8 6.6 1.2 14 12 A E E S+ B 0 126A 120 112,-2.6 112,-2.7 -2,-0.4 -2,-0.0 -0.915 75.0 15.7-107.2 135.1 -6.4 7.4 2.7 15 13 A G S > S+ 0 0 32 -2,-0.4 4,-1.9 110,-0.2 5,-0.2 0.625 82.9 137.6 80.5 16.1 -4.2 10.1 1.1 16 14 A Y H > + 0 0 31 -3,-0.3 4,-2.2 1,-0.2 5,-0.2 0.902 66.2 46.6 -61.4 -47.2 -7.2 11.3 -0.9 17 15 A E H > S+ 0 0 83 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.920 114.4 43.7 -67.1 -52.4 -6.5 15.1 -0.5 18 16 A P H > S+ 0 0 75 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.868 115.0 50.9 -60.8 -38.4 -2.8 15.1 -1.3 19 17 A F H X S+ 0 0 19 -4,-1.9 4,-1.9 105,-0.2 -2,-0.2 0.933 111.4 47.2 -63.3 -47.3 -3.3 12.8 -4.3 20 18 A C H <>S+ 0 0 6 -4,-2.2 5,-2.7 -5,-0.2 -1,-0.2 0.869 112.1 50.5 -63.9 -40.3 -6.2 15.0 -5.7 21 19 A K H ><5S+ 0 0 121 -4,-2.2 3,-2.0 3,-0.2 -1,-0.2 0.956 108.4 52.5 -59.1 -51.6 -4.1 18.2 -5.2 22 20 A L H 3<5S+ 0 0 33 -4,-2.3 -2,-0.2 1,-0.3 97,-0.2 0.888 108.6 49.3 -53.7 -45.5 -1.1 16.7 -7.0 23 21 A I T 3<5S- 0 0 86 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.319 123.1-103.5 -83.2 9.3 -3.2 15.7 -10.1 24 22 A G T < 5 + 0 0 61 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.746 67.0 149.4 80.4 25.5 -4.7 19.2 -10.3 25 23 A I < - 0 0 59 -5,-2.7 -1,-0.3 -6,-0.1 -2,-0.1 -0.821 48.5-118.8 -84.8 127.5 -8.2 18.7 -8.9 26 24 A P >> - 0 0 81 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.252 20.9-106.3 -72.8 160.0 -9.2 22.0 -7.2 27 25 A D H 3> S+ 0 0 90 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.817 114.0 50.7 -55.0 -48.4 -10.0 22.3 -3.4 28 26 A D H 3> S+ 0 0 139 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.819 111.4 50.1 -63.8 -32.3 -13.8 22.7 -3.5 29 27 A V H <> S+ 0 0 84 -3,-0.7 4,-0.8 2,-0.2 -1,-0.2 0.882 107.2 54.4 -73.0 -40.5 -14.1 19.6 -5.8 30 28 A I H >X S+ 0 0 4 -4,-1.9 3,-1.3 1,-0.2 4,-0.8 0.954 110.5 45.8 -53.3 -53.1 -11.9 17.6 -3.4 31 29 A A H >< S+ 0 0 42 -4,-2.2 3,-0.5 1,-0.3 4,-0.4 0.859 108.2 57.5 -60.1 -36.7 -14.2 18.4 -0.5 32 30 A K H 3< S+ 0 0 178 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.649 115.6 36.9 -68.0 -16.6 -17.3 17.6 -2.6 33 31 A G H X< S+ 0 0 15 -3,-1.3 3,-1.1 -4,-0.8 -1,-0.2 0.424 83.6 95.5-119.6 0.1 -15.9 14.1 -3.2 34 32 A R T << S+ 0 0 124 -4,-0.8 -2,-0.1 -3,-0.5 -3,-0.1 0.836 95.4 39.4 -64.4 -33.0 -14.2 12.9 0.0 35 33 A D T 3 S+ 0 0 119 -4,-0.4 2,-0.3 2,-0.1 -1,-0.3 0.256 85.2 124.4-102.0 12.2 -17.4 11.1 1.2 36 34 A F < - 0 0 68 -3,-1.1 2,-0.7 1,-0.0 -3,-0.1 -0.592 50.7-149.7 -71.7 129.1 -18.4 9.7 -2.2 37 35 A K - 0 0 101 -2,-0.3 2,-0.2 -28,-0.0 -2,-0.1 -0.872 8.8-153.4-108.8 104.1 -18.7 5.9 -2.1 38 36 A L - 0 0 0 -2,-0.7 -28,-2.4 -29,-0.1 2,-0.5 -0.504 3.4-146.8 -76.5 137.8 -17.9 4.1 -5.4 39 37 A V E -AC 9 54A 29 15,-0.9 15,-2.6 -30,-0.2 2,-0.4 -0.933 15.2-164.8-103.4 125.4 -19.4 0.7 -6.2 40 38 A T E -AC 8 53A 0 -32,-2.6 -32,-3.4 -2,-0.5 2,-0.5 -0.935 4.7-165.3-111.7 133.1 -17.1 -1.6 -8.3 41 39 A E E -AC 7 52A 24 11,-3.2 11,-2.7 -2,-0.4 2,-0.4 -0.971 11.1-171.4-122.4 117.7 -18.4 -4.7 -10.1 42 40 A I E -AC 6 51A 1 -36,-2.6 -36,-2.3 -2,-0.5 2,-0.5 -0.922 17.0-173.4-120.4 130.6 -15.8 -7.3 -11.4 43 41 A V E - C 0 50A 73 7,-2.5 7,-2.4 -2,-0.4 2,-0.5 -0.972 15.6-172.8-116.7 111.3 -16.1 -10.3 -13.6 44 42 A Q E + C 0 49A 23 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.921 13.3 173.5-109.1 124.4 -12.8 -12.3 -13.8 45 43 A N E > - C 0 48A 130 3,-3.3 3,-1.9 -2,-0.5 2,-1.1 -0.762 65.5 -69.5-129.0 86.1 -12.3 -15.2 -16.1 46 44 A G T 3 S- 0 0 37 -45,-0.8 20,-0.0 -2,-0.3 -2,-0.0 -0.568 120.3 -8.9 73.9 -97.3 -8.7 -16.4 -16.0 47 45 A D T 3 S+ 0 0 95 -2,-1.1 20,-1.9 -3,-0.0 2,-0.4 0.512 119.8 92.0-106.9 -13.4 -6.7 -13.5 -17.6 48 46 A D E < -CD 45 66A 47 -3,-1.9 -3,-3.3 18,-0.2 2,-0.4 -0.711 55.2-174.5 -88.0 131.0 -9.8 -11.7 -18.8 49 47 A F E -CD 44 65A 1 16,-3.1 16,-2.1 -2,-0.4 2,-0.4 -0.982 18.0-164.8-124.9 137.8 -11.3 -9.0 -16.6 50 48 A T E -CD 43 64A 33 -7,-2.4 -7,-2.5 -2,-0.4 2,-0.5 -0.996 17.9-171.3-115.4 126.9 -14.5 -6.9 -16.9 51 49 A W E -CD 42 63A 16 12,-3.1 12,-3.3 -2,-0.4 2,-0.4 -0.948 2.9-174.8-133.1 108.6 -14.3 -4.0 -14.4 52 50 A T E -CD 41 62A 15 -11,-2.7 -11,-3.2 -2,-0.5 2,-0.4 -0.887 5.9-169.0-118.7 131.5 -17.3 -1.8 -13.9 53 51 A Q E -CD 40 61A 23 8,-2.9 8,-2.4 -2,-0.4 2,-0.6 -0.983 12.8-145.6-126.9 126.3 -17.5 1.4 -11.8 54 52 A Y E -CD 39 60A 59 -15,-2.6 -15,-0.9 -2,-0.4 6,-0.2 -0.802 21.9-179.7-100.2 119.4 -20.7 3.1 -10.9 55 53 A Y E >> - D 0 59A 46 4,-3.3 4,-0.6 -2,-0.6 3,-0.6 -0.599 36.0 -71.1-112.8 169.0 -20.7 6.9 -10.6 56 54 A P G >4 S+ 0 0 72 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 -0.146 110.6 28.5 -58.5 157.1 -23.4 9.6 -9.8 57 55 A N G 34 S- 0 0 162 1,-0.2 3,-0.1 2,-0.0 -2,-0.0 0.761 132.7 -64.3 64.4 32.4 -26.2 10.4 -12.2 58 56 A N G <4 S+ 0 0 84 -3,-0.6 80,-0.5 1,-0.2 2,-0.5 0.717 91.7 153.0 64.8 23.2 -26.3 6.9 -13.8 59 57 A H E << -D 55 0A 75 -3,-1.0 -4,-3.3 -4,-0.6 2,-0.4 -0.731 21.9-172.2 -87.0 129.3 -22.8 7.4 -15.2 60 58 A V E -D 54 0A 9 -2,-0.5 2,-0.5 -6,-0.2 -6,-0.2 -0.961 17.0-161.0-128.8 138.4 -20.9 4.1 -15.6 61 59 A V E -D 53 0A 5 -8,-2.4 -8,-2.9 -2,-0.4 2,-0.5 -0.979 11.6-174.1-116.3 118.6 -17.3 3.2 -16.5 62 60 A T E -D 52 0A 11 -2,-0.5 73,-0.4 -10,-0.2 2,-0.4 -0.953 2.1-169.9-111.6 123.7 -16.5 -0.3 -17.8 63 61 A N E -D 51 0A 21 -12,-3.3 -12,-3.1 -2,-0.5 2,-0.4 -0.880 0.5-169.0-105.9 142.6 -13.0 -1.5 -18.5 64 62 A K E +D 50 0A 61 8,-0.7 8,-0.4 -2,-0.4 2,-0.3 -0.988 20.1 151.2-132.2 124.3 -12.2 -4.7 -20.3 65 63 A F E -D 49 0A 15 -16,-2.1 -16,-3.1 -2,-0.4 2,-0.4 -0.990 37.2-139.1-153.3 155.8 -8.7 -6.2 -20.4 66 64 A I E > -D 48 0A 70 3,-0.3 3,-1.7 -2,-0.3 19,-0.4 -0.960 43.0-103.3-114.8 132.6 -6.6 -9.3 -20.6 67 65 A V T 3 S+ 0 0 19 -20,-1.9 19,-0.2 -2,-0.4 3,-0.1 -0.376 102.8 7.2 -54.7 124.1 -3.5 -9.6 -18.5 68 66 A G T 3 S+ 0 0 42 17,-2.8 2,-0.4 1,-0.2 -1,-0.2 0.445 107.7 101.7 86.0 2.0 -0.3 -8.9 -20.4 69 67 A K S < S- 0 0 137 -3,-1.7 16,-0.5 16,-0.2 -3,-0.3 -0.930 83.9 -98.0-119.6 141.6 -2.0 -7.9 -23.7 70 68 A E - 0 0 135 -2,-0.4 2,-0.3 14,-0.1 14,-0.2 -0.414 53.2-177.5 -56.5 125.4 -2.5 -4.3 -25.0 71 69 A S E -I 83 0B 11 12,-2.8 12,-2.0 -2,-0.2 2,-0.7 -0.854 32.4-104.2-129.5 158.8 -6.1 -3.3 -24.0 72 70 A D E -I 82 0B 72 -8,-0.4 -8,-0.7 -2,-0.3 2,-0.3 -0.769 38.1-157.3 -87.2 115.4 -8.4 -0.3 -24.5 73 71 A M E -I 81 0B 14 8,-3.7 8,-1.8 -2,-0.7 2,-0.3 -0.707 4.9-161.0 -94.9 144.4 -8.7 1.7 -21.3 74 72 A E E -I 80 0B 16 -2,-0.3 2,-0.2 6,-0.2 6,-0.2 -0.975 2.9-157.4-132.7 148.8 -11.6 4.0 -20.4 75 73 A T > - 0 0 47 4,-1.7 3,-1.3 -2,-0.3 -13,-0.1 -0.694 30.0-115.8-124.5 155.8 -11.8 6.9 -17.9 76 74 A V T 3 S+ 0 0 69 1,-0.3 -1,-0.1 -2,-0.2 -16,-0.0 0.796 115.7 61.8 -62.1 -32.8 -14.6 8.8 -15.9 77 75 A G T 3 S- 0 0 60 1,-0.1 -1,-0.3 2,-0.0 -3,-0.0 0.409 123.6-108.0 -72.5 1.6 -13.7 11.9 -17.8 78 76 A G S < S+ 0 0 37 -3,-1.3 2,-0.2 1,-0.3 -2,-0.1 0.661 73.3 141.3 80.8 18.8 -14.7 10.0 -21.0 79 77 A K - 0 0 149 55,-0.0 -4,-1.7 2,-0.0 2,-0.4 -0.514 36.3-150.2 -93.4 161.2 -11.2 9.7 -22.3 80 78 A K E +I 74 0B 143 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.971 23.5 147.1-132.1 144.2 -9.6 6.7 -24.0 81 79 A F E -I 73 0B 87 -8,-1.8 -8,-3.7 -2,-0.4 2,-0.4 -0.952 39.5-105.4-158.8 176.7 -6.1 5.2 -24.2 82 80 A K E +I 72 0B 123 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.901 40.3 160.0-112.4 140.9 -4.2 1.9 -24.5 83 81 A G E -I 71 0B 9 -12,-2.0 -12,-2.8 -2,-0.4 2,-0.4 -0.944 32.6-126.2-151.2 171.1 -2.4 0.2 -21.7 84 82 A I - 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