==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 29-APR-04 1VYF . COMPND 2 MOLECULE: 14 KDA FATTY ACID BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHISTOSOMA MANSONI; . AUTHOR F.ANGELUCCI,K.A.JOHNSON,P.BAIOCCO,A.E.MIELE,A.BELLELLI . 135 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7365.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 101 74.8 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 . 66 48.9 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 . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 12 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 0 0 2 0 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 . 0 0 0 2 1 1 4 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 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 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 0 105 0, 0.0 3,-1.0 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 171.9 38.6 40.0 11.9 2 0 A S T 3 + 0 0 48 1,-0.2 89,-0.1 2,-0.1 90,-0.0 -0.435 360.0 6.0 -81.9 149.5 36.1 37.6 13.3 3 1 A M T >> S+ 0 0 0 -2,-0.1 3,-2.2 1,-0.1 4,-0.6 0.693 80.7 153.9 55.7 23.6 33.5 35.9 11.1 4 2 A S G X4 + 0 0 72 -3,-1.0 3,-0.7 1,-0.3 -1,-0.1 0.744 61.7 62.3 -56.4 -28.3 35.2 37.6 8.1 5 3 A S G 34 S+ 0 0 38 86,-0.5 -1,-0.3 1,-0.2 87,-0.1 0.732 100.7 55.0 -71.9 -20.3 34.0 34.9 5.6 6 4 A F G <4 S+ 0 0 0 -3,-2.2 38,-0.3 85,-0.3 -1,-0.2 0.660 82.2 113.1 -77.8 -22.2 30.3 35.9 6.4 7 5 A L << + 0 0 67 -3,-0.7 2,-0.3 -4,-0.6 38,-0.2 -0.327 62.6 27.9 -68.0 134.5 30.8 39.6 5.6 8 6 A G E S-A 44 0A 32 36,-1.9 36,-2.6 -2,-0.1 2,-0.3 -0.855 96.8 -38.0 119.2-156.5 29.0 40.9 2.6 9 7 A K E -A 43 0A 106 125,-0.3 125,-2.8 -2,-0.3 2,-0.3 -0.848 42.9-172.1-118.4 151.1 25.8 40.0 0.8 10 8 A W E -AB 42 133A 0 32,-2.3 32,-2.9 -2,-0.3 2,-0.4 -0.969 7.9-155.2-141.5 140.1 24.2 36.6 -0.0 11 9 A K E -AB 41 132A 96 121,-2.5 121,-2.6 -2,-0.3 30,-0.2 -0.988 30.0-108.2-124.4 133.7 21.2 35.6 -2.2 12 10 A L E + B 0 131A 17 28,-2.3 119,-0.3 -2,-0.4 3,-0.1 -0.432 39.8 168.7 -56.2 125.5 19.1 32.5 -1.7 13 11 A S E + 0 0 54 117,-2.9 2,-0.3 1,-0.3 118,-0.2 0.690 60.9 11.8-108.4 -36.0 19.8 30.0 -4.6 14 12 A E E - B 0 130A 114 116,-1.7 116,-2.3 2,-0.0 2,-0.4 -0.996 53.4-165.0-149.8 147.8 18.1 26.8 -3.5 15 13 A S E - B 0 129A 61 -2,-0.3 2,-0.4 114,-0.2 114,-0.2 -0.997 6.6-170.3-135.2 131.3 15.7 25.5 -0.8 16 14 A H E - B 0 128A 128 112,-2.5 112,-2.0 -2,-0.4 -2,-0.0 -0.980 69.9 -13.4-126.9 123.0 15.1 21.9 0.2 17 15 A N S > S+ 0 0 79 -2,-0.4 4,-0.7 110,-0.2 3,-0.3 0.688 82.0 138.5 66.7 23.2 12.3 20.7 2.5 18 16 A F H >> + 0 0 41 1,-0.2 4,-2.0 2,-0.2 3,-0.7 0.839 62.7 60.9 -73.2 -33.1 11.4 24.1 3.8 19 17 A D H 3> S+ 0 0 56 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.878 98.1 59.7 -61.7 -35.2 7.6 23.7 3.7 20 18 A A H 3> S+ 0 0 36 -3,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.835 107.8 46.5 -58.5 -33.1 7.9 20.8 6.2 21 19 A V H S+ 0 0 8 -4,-2.0 5,-2.3 2,-0.2 4,-0.3 0.805 112.0 55.0 -75.5 -28.9 7.1 26.1 8.4 23 21 A S H ><5S+ 0 0 58 -4,-2.2 3,-1.2 -5,-0.2 -1,-0.2 0.920 110.1 47.2 -60.7 -47.6 4.2 23.8 8.4 24 22 A K H 3<5S+ 0 0 91 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.849 107.1 57.1 -61.0 -37.6 5.5 22.3 11.7 25 23 A L T 3<5S- 0 0 19 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.504 116.1-115.0 -71.4 -10.2 6.1 25.9 13.1 26 24 A G T < 5 + 0 0 58 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.639 53.0 170.0 84.6 16.7 2.4 26.6 12.5 27 25 A V < - 0 0 17 -5,-2.3 -1,-0.2 1,-0.1 5,-0.1 -0.356 41.2 -98.7 -63.8 140.3 3.0 29.3 9.9 28 26 A S > - 0 0 62 50,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.126 27.1-114.8 -60.8 153.0 -0.1 30.4 8.2 29 27 A W H > S+ 0 0 169 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.909 115.2 48.0 -48.7 -51.3 -0.9 29.0 4.7 30 28 A A H > S+ 0 0 64 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.875 113.5 45.4 -67.3 -39.7 -0.5 32.4 3.0 31 29 A T H > S+ 0 0 33 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.843 110.0 57.0 -69.5 -33.9 2.8 33.3 4.7 32 30 A R H X S+ 0 0 35 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.926 105.0 50.9 -60.2 -43.5 4.0 29.7 3.9 33 31 A Q H < S+ 0 0 70 -4,-2.1 4,-0.3 2,-0.2 -1,-0.2 0.907 111.4 47.2 -64.1 -43.4 3.3 30.3 0.2 34 32 A I H >X S+ 0 0 55 -4,-1.6 4,-2.7 1,-0.2 3,-1.5 0.926 111.3 52.4 -57.6 -46.6 5.3 33.6 0.3 35 33 A G H 3< S+ 0 0 20 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.779 107.4 51.9 -62.0 -28.8 8.1 31.7 2.2 36 34 A N T 3< S+ 0 0 66 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.478 120.2 33.8 -84.6 -2.5 8.1 29.0 -0.6 37 35 A T T <4 S+ 0 0 99 -3,-1.5 -2,-0.2 -4,-0.3 -3,-0.1 0.749 92.5 87.0-119.5 -46.4 8.5 31.6 -3.3 38 36 A V < - 0 0 25 -4,-2.7 19,-0.0 -5,-0.1 0, 0.0 -0.297 56.1-152.5 -70.0 150.3 10.6 34.7 -2.3 39 37 A T - 0 0 77 -26,-0.0 -1,-0.1 -3,-0.0 19,-0.1 -0.908 20.9-156.7-122.4 95.6 14.4 34.7 -2.6 40 38 A P - 0 0 10 0, 0.0 -28,-2.3 0, 0.0 2,-0.4 -0.328 11.3-135.2 -72.9 158.0 15.8 37.0 0.0 41 39 A T E -AC 11 56A 22 15,-2.2 15,-2.6 -30,-0.2 2,-0.4 -0.945 20.5-159.7-106.6 133.6 19.1 38.7 0.1 42 40 A V E -AC 10 55A 4 -32,-2.9 -32,-2.3 -2,-0.4 2,-0.4 -0.949 4.4-166.3-120.2 129.5 21.0 38.6 3.4 43 41 A T E -AC 9 54A 22 11,-2.6 11,-2.6 -2,-0.4 2,-0.4 -0.967 2.4-163.5-116.8 131.7 23.8 41.1 4.4 44 42 A F E +AC 8 53A 4 -36,-2.6 -36,-1.9 -2,-0.4 2,-0.3 -0.940 10.7 173.4-113.0 135.1 26.2 40.5 7.3 45 43 A T E - C 0 52A 57 7,-2.0 7,-2.5 -2,-0.4 2,-0.5 -0.955 19.7-148.1-129.4 154.5 28.3 43.2 8.9 46 44 A M E + C 0 51A 42 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.982 19.6 172.9-127.0 114.6 30.5 42.9 12.0 47 45 A D E > - C 0 50A 103 3,-2.6 3,-0.7 -2,-0.5 2,-0.4 -0.828 59.4 -55.0-129.2 84.8 30.8 46.0 14.1 48 46 A G T 3 S- 0 0 66 -2,-0.4 0, 0.0 1,-0.2 0, 0.0 -0.685 118.6 -13.4 92.0-131.4 32.6 45.5 17.4 49 47 A D T 3 S+ 0 0 128 -2,-0.4 19,-0.5 -3,-0.1 2,-0.4 0.337 126.4 85.6 -78.8 3.0 31.3 42.8 19.8 50 48 A K E < -C 47 0A 70 -3,-0.7 -3,-2.6 17,-0.1 2,-0.4 -0.901 57.9-162.8-121.8 135.6 28.2 42.8 17.5 51 49 A M E -CD 46 66A 0 15,-2.5 15,-2.3 -2,-0.4 2,-0.4 -0.903 11.4-157.9-106.6 144.0 27.1 41.1 14.3 52 50 A T E -CD 45 65A 29 -7,-2.5 -7,-2.0 -2,-0.4 2,-0.5 -0.988 4.3-166.6-123.1 127.4 24.2 42.5 12.2 53 51 A M E -CD 44 64A 18 11,-2.3 11,-1.8 -2,-0.4 2,-0.5 -0.956 5.6-166.3-111.2 119.6 22.2 40.4 9.8 54 52 A L E -CD 43 63A 54 -11,-2.6 -11,-2.6 -2,-0.5 2,-0.5 -0.927 1.4-163.9-104.9 127.7 19.9 42.3 7.3 55 53 A T E -CD 42 62A 34 7,-3.5 7,-2.7 -2,-0.5 2,-0.4 -0.950 7.7-173.1-109.9 126.1 17.3 40.3 5.4 56 54 A E E +C 41 0A 77 -15,-2.6 -15,-2.2 -2,-0.5 2,-0.3 -0.962 18.0 138.4-122.3 133.8 15.6 42.0 2.4 57 55 A S - 0 0 24 3,-0.4 -2,-0.0 -2,-0.4 -19,-0.0 -0.963 64.1 -97.9-157.5 170.1 12.8 40.6 0.3 58 56 A T S S+ 0 0 136 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.731 122.4 51.5 -62.9 -23.8 9.5 41.7 -1.4 59 57 A F S S- 0 0 74 1,-0.3 2,-0.3 -25,-0.1 -1,-0.2 0.964 125.9 -18.8 -78.7 -56.6 7.7 40.4 1.7 60 58 A K - 0 0 79 2,-0.0 2,-0.5 0, 0.0 -3,-0.4 -0.987 47.8-139.9-154.4 145.4 9.6 42.1 4.5 61 59 A N + 0 0 105 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.984 37.0 172.7-112.0 127.9 12.9 43.9 5.2 62 60 A L E -D 55 0A 55 -7,-2.7 -7,-3.5 -2,-0.5 2,-0.3 -0.974 17.4-167.6-144.4 139.6 14.2 42.9 8.6 63 61 A S E -D 54 0A 75 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.981 2.1-173.8-133.2 145.3 17.4 43.3 10.7 64 62 A C E -D 53 0A 18 -11,-1.8 -11,-2.3 -2,-0.3 2,-0.4 -0.993 5.2-164.2-135.5 146.0 18.8 41.8 13.9 65 63 A T E +D 52 0A 61 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.986 21.3 163.6-128.4 136.3 21.9 42.7 15.9 66 64 A F E -D 51 0A 6 -15,-2.3 -15,-2.5 -2,-0.4 2,-0.4 -0.997 37.9-131.5-154.0 152.4 23.5 40.5 18.5 67 65 A K > - 0 0 65 -2,-0.3 3,-1.5 3,-0.3 19,-0.4 -0.867 49.3-101.1 -95.2 141.1 26.5 39.5 20.7 68 66 A F T 3 S+ 0 0 47 -19,-0.5 19,-0.2 -2,-0.4 3,-0.1 -0.448 106.5 13.4 -64.2 132.9 27.4 35.8 20.5 69 67 A G T 3 S+ 0 0 45 17,-2.5 2,-0.7 1,-0.2 -1,-0.2 0.275 99.8 118.5 86.9 -7.9 26.1 33.9 23.6 70 68 A E < - 0 0 85 -3,-1.5 16,-0.3 16,-0.3 -3,-0.3 -0.825 62.9-132.2-101.4 111.4 23.8 36.7 24.6 71 69 A E + 0 0 115 -2,-0.7 2,-0.3 14,-0.1 14,-0.2 -0.239 33.2 174.5 -57.9 144.0 20.1 36.0 24.6 72 70 A F E -E 84 0A 31 12,-2.3 12,-2.9 -6,-0.0 2,-0.4 -0.984 33.0-104.6-151.3 159.5 17.9 38.6 22.9 73 71 A D E +E 83 0A 141 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.712 40.7 176.4 -91.5 139.3 14.3 39.2 21.9 74 72 A E E -E 82 0A 30 8,-2.4 8,-2.9 -2,-0.4 2,-0.5 -0.979 27.3-148.4-142.2 142.3 13.4 38.8 18.2 75 73 A K E -E 81 0A 132 -2,-0.3 6,-0.2 6,-0.2 2,-0.0 -0.992 30.1-136.9-109.6 125.9 10.3 39.0 16.1 76 74 A T > - 0 0 7 4,-2.5 3,-1.5 -2,-0.5 0, 0.0 -0.249 25.8-101.0 -77.0 168.5 10.5 36.5 13.2 77 75 A S T 3 S+ 0 0 62 1,-0.3 -1,-0.1 2,-0.1 -16,-0.0 0.826 124.1 51.6 -59.6 -32.1 9.5 37.4 9.6 78 76 A D T 3 S- 0 0 43 2,-0.1 -1,-0.3 -43,-0.0 -50,-0.2 0.500 125.5 -99.4 -87.7 -3.7 6.2 35.5 10.1 79 77 A G S < S+ 0 0 35 -3,-1.5 2,-0.4 1,-0.3 -2,-0.1 0.469 71.9 140.3 106.9 6.3 5.4 37.4 13.3 80 78 A R - 0 0 40 1,-0.0 -4,-2.5 20,-0.0 2,-0.5 -0.650 47.4-134.6 -85.3 132.4 6.4 35.1 16.2 81 79 A N E +E 75 0A 120 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.778 38.8 170.4 -82.8 125.1 8.0 36.6 19.3 82 80 A V E -E 74 0A 4 -8,-2.9 -8,-2.4 -2,-0.5 2,-0.6 -0.905 38.5-124.0-136.6 155.4 11.0 34.5 20.2 83 81 A K E -EF 73 99A 92 16,-2.0 16,-2.7 -2,-0.3 2,-0.3 -0.952 41.1-176.5 -99.7 121.6 14.0 34.4 22.5 84 82 A S E -EF 72 98A 1 -12,-2.9 -12,-2.3 -2,-0.6 2,-0.3 -0.849 21.3-177.6-120.4 153.5 17.1 33.9 20.5 85 83 A V E - 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0 0 15 3,-2.5 -18,-0.1 -2,-0.7 -20,-0.0 -0.574 49.6-103.2 -94.6 170.3 8.8 30.2 20.8 101 99 A P S S+ 0 0 132 0, 0.0 3,-0.1 0, 0.0 -19,-0.0 0.792 120.4 39.0 -69.1 -27.8 6.3 28.7 23.3 102 100 A K S S+ 0 0 176 1,-0.2 2,-0.3 -77,-0.1 -76,-0.1 0.832 126.6 3.1 -85.3 -36.0 5.2 25.9 20.8 103 101 A N - 0 0 42 -78,-0.1 -3,-2.5 2,-0.0 2,-0.4 -0.915 54.7-128.6-150.8 164.8 8.6 25.1 19.3 104 102 A T E -G 99 0A 62 -2,-0.3 2,-0.4 -5,-0.2 19,-0.4 -0.990 20.7-159.9-122.0 130.5 12.4 25.6 19.1 105 103 A T E -G 98 0A 3 -7,-2.6 -7,-2.9 -2,-0.4 2,-0.5 -0.954 0.5-161.5-110.9 127.3 14.1 26.3 15.7 106 104 A V E -GH 97 121A 41 15,-2.5 15,-2.7 -2,-0.4 2,-0.5 -0.950 7.5-170.7-109.0 123.6 17.9 25.7 15.4 107 105 A I E -GH 96 120A 13 -11,-3.5 -11,-3.1 -2,-0.5 2,-0.4 -0.943 1.1-169.9-119.5 109.4 19.5 27.6 12.4 108 106 A V E -GH 95 119A 31 11,-2.5 11,-2.6 -2,-0.5 2,-0.4 -0.834 1.8-169.2 -98.3 133.0 23.0 26.7 11.5 109 107 A R E +GH 94 118A 24 -15,-2.7 -15,-2.3 -2,-0.4 2,-0.4 -0.995 8.0 177.6-123.3 122.1 24.8 28.9 9.0 110 108 A E E -GH 93 117A 69 7,-2.2 7,-2.6 -2,-0.4 2,-0.5 -0.996 17.6-146.3-131.7 132.0 28.1 27.7 7.6 111 109 A V E + H 0 116A 10 -19,-2.5 2,-0.4 -2,-0.4 5,-0.2 -0.824 19.5 171.3-102.3 128.2 30.2 29.5 4.9 112 110 A D E > - 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