==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIPID BINDING PROTEIN 05-APR-13 3W9K . COMPND 2 MOLECULE: FATTY ACID-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS TOKODAII; . AUTHOR T.MIYAKAWA,Y.SAWANO,K.MIYAZONO,Y.MIYAUCHI,K.HATANO,M.TANOKUR . 135 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7577.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 79.3 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 . 52 38.5 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 . 4 3.0 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 . 7 5.2 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 . 38 28.1 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 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 0 0 2 1 3 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 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 2 A M 0 0 125 0, 0.0 97,-2.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 115.7 -2.1 11.6 -19.0 2 3 A K E -A 97 0A 127 95,-0.2 2,-0.4 93,-0.0 95,-0.2 -0.899 360.0-160.6-139.5 151.5 -3.9 9.9 -16.1 3 4 A V E -A 96 0A 24 93,-2.3 93,-3.0 -2,-0.3 2,-0.3 -0.992 25.1-172.7-129.5 141.5 -6.3 10.2 -13.3 4 5 A E E -A 95 0A 75 -2,-0.4 2,-0.3 91,-0.2 91,-0.2 -0.897 12.3-170.8-134.2 155.2 -6.2 7.6 -10.5 5 6 A K E -A 94 0A 62 89,-2.4 89,-3.0 -2,-0.3 2,-0.3 -0.944 16.9-139.8-149.2 136.4 -8.2 6.5 -7.4 6 7 A E E -A 93 0A 91 -2,-0.3 2,-0.4 87,-0.2 87,-0.2 -0.709 19.0-160.6 -88.0 140.3 -7.6 4.1 -4.6 7 8 A I E -A 92 0A 0 85,-2.8 85,-2.5 -2,-0.3 2,-0.4 -0.991 3.2-158.8-122.9 128.0 -10.6 2.1 -3.4 8 9 A K E +A 91 0A 116 -2,-0.4 2,-0.3 111,-0.3 83,-0.2 -0.878 20.3 174.1-103.2 136.6 -10.8 0.4 0.0 9 10 A T - 0 0 2 81,-2.6 4,-0.1 -2,-0.4 -2,-0.0 -0.993 37.3-165.3-143.3 146.4 -13.2 -2.5 0.3 10 11 A N + 0 0 139 -2,-0.3 2,-0.1 2,-0.1 -1,-0.1 0.152 68.1 104.0-108.9 11.9 -14.3 -5.1 2.9 11 12 A Q S S- 0 0 36 1,-0.1 2,-0.5 79,-0.1 -2,-0.1 -0.487 98.7 -72.7 -83.3 159.5 -16.2 -7.0 0.2 12 13 A D >> - 0 0 80 1,-0.2 4,-2.5 -2,-0.1 3,-0.7 -0.485 48.9-144.5 -55.6 115.8 -14.6 -10.2 -1.3 13 14 A I H 3> S+ 0 0 1 -2,-0.5 4,-2.7 76,-0.4 -1,-0.2 0.802 94.0 52.6 -63.9 -33.3 -11.8 -8.6 -3.3 14 15 A D H 3> S+ 0 0 80 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.864 108.7 48.7 -74.4 -32.5 -12.0 -11.2 -6.1 15 16 A V H <> S+ 0 0 21 -3,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.907 112.3 51.6 -66.1 -41.8 -15.8 -10.7 -6.6 16 17 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.936 110.5 46.7 -57.6 -50.4 -15.1 -7.0 -6.6 17 18 A M H X S+ 0 0 14 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.895 111.6 52.3 -59.4 -40.5 -12.4 -7.4 -9.3 18 19 A T H >< S+ 0 0 85 -4,-2.1 3,-0.5 2,-0.2 4,-0.5 0.915 107.9 50.5 -64.3 -42.2 -14.7 -9.7 -11.4 19 20 A I H >< S+ 0 0 1 -4,-2.5 3,-1.7 1,-0.2 7,-0.4 0.922 107.6 53.1 -62.8 -42.0 -17.5 -7.2 -11.3 20 21 A F H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.759 99.3 65.3 -64.0 -19.9 -15.1 -4.4 -12.5 21 22 A S T << S+ 0 0 11 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.604 85.0 85.7 -77.3 -10.0 -14.2 -6.9 -15.4 22 23 A D X> - 0 0 39 -3,-1.7 4,-2.4 -4,-0.5 3,-1.9 -0.793 69.1-158.6 -88.6 110.9 -17.8 -6.4 -16.6 23 24 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.816 89.0 68.0 -64.8 -20.4 -17.9 -3.3 -18.8 24 25 A A H 34 S+ 0 0 39 1,-0.2 -4,-0.1 2,-0.2 -3,-0.0 0.722 111.9 33.6 -68.3 -22.8 -21.6 -2.9 -18.2 25 26 A F H <> S+ 0 0 6 -3,-1.9 4,-1.6 -6,-0.3 -1,-0.2 0.853 123.5 42.2 -86.0 -54.2 -20.8 -2.1 -14.6 26 27 A T H X S+ 0 0 0 -4,-2.4 4,-1.6 -7,-0.4 5,-0.3 0.857 110.0 51.3 -70.3 -43.4 -17.5 -0.3 -15.0 27 28 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 3,-0.4 0.959 114.4 42.2 -63.8 -51.3 -18.1 2.0 -18.0 28 29 A P H 4 S+ 0 0 46 0, 0.0 6,-0.3 0, 0.0 -1,-0.2 0.827 114.4 53.5 -63.5 -29.9 -21.4 3.6 -16.7 29 30 A Q H < S+ 0 0 34 -4,-1.6 -2,-0.2 1,-0.1 89,-0.2 0.823 125.2 20.4 -73.0 -28.3 -19.9 3.9 -13.2 30 31 A I H < S+ 0 0 0 -4,-1.6 84,-0.2 -3,-0.4 85,-0.2 0.825 101.2 81.8-115.1 -38.6 -16.8 5.8 -14.3 31 32 A F S >< S- 0 0 11 -4,-2.4 3,-0.6 -5,-0.3 2,-0.4 -0.285 90.0 -90.2 -73.5 157.2 -17.1 7.5 -17.7 32 33 A P T 3 S- 0 0 11 0, 0.0 18,-0.5 0, 0.0 -1,-0.1 -0.534 92.3 -21.7 -71.4 123.7 -18.9 10.9 -17.9 33 34 A G T 3 S- 0 0 49 -2,-0.4 17,-0.8 16,-0.2 2,-0.4 0.838 74.8-169.4 58.9 40.9 -22.8 10.9 -18.5 34 35 A I E < +B 49 0A 33 -3,-0.6 15,-0.3 -6,-0.3 -1,-0.2 -0.556 16.0 168.9 -71.3 126.1 -23.1 7.4 -20.0 35 36 A A E + 0 0 84 13,-2.8 2,-0.3 -2,-0.4 14,-0.2 0.444 62.6 32.5-114.1 -12.0 -26.6 7.0 -21.4 36 37 A S E +B 48 0A 58 12,-1.6 12,-1.8 2,-0.0 2,-0.4 -0.994 57.5 179.5-148.4 139.7 -26.3 3.8 -23.4 37 38 A I E -B 47 0A 63 -2,-0.3 2,-0.5 10,-0.2 10,-0.2 -0.991 4.5-171.4-144.5 134.7 -24.2 0.6 -23.0 38 39 A K E -B 46 0A 118 8,-3.2 8,-1.9 -2,-0.4 2,-0.9 -0.991 10.3-158.3-129.3 121.6 -24.1 -2.5 -25.2 39 40 A C E -B 45 0A 56 -2,-0.5 6,-0.2 6,-0.2 4,-0.0 -0.865 10.2-179.3-101.7 103.4 -22.4 -5.6 -24.3 40 41 A I E S- 0 0 82 4,-1.1 -1,-0.2 -2,-0.9 5,-0.1 0.941 76.4 -16.7 -65.9 -47.4 -21.8 -7.4 -27.5 41 42 A E E > S-B 44 0A 106 3,-1.0 3,-1.6 -3,-0.2 -1,-0.2 -0.831 91.4 -81.2-143.4 176.0 -20.0 -10.4 -25.7 42 43 A P T 3 S+ 0 0 103 0, 0.0 -18,-0.2 0, 0.0 -2,-0.0 0.783 129.6 35.8 -55.6 -31.8 -18.6 -10.4 -22.1 43 44 A E T 3 S+ 0 0 61 -21,-0.1 19,-2.7 -20,-0.1 2,-0.4 0.342 108.1 70.5-105.7 4.4 -15.4 -8.7 -23.1 44 45 A I E < +BC 41 61A 38 -3,-1.6 -4,-1.1 17,-0.2 -3,-1.0 -0.987 56.7 168.2-124.7 132.4 -16.6 -6.3 -25.8 45 46 A F E -BC 39 60A 1 15,-2.3 15,-2.4 -2,-0.4 2,-0.3 -0.955 21.4-163.2-135.9 162.6 -18.7 -3.1 -25.3 46 47 A E E +BC 38 59A 90 -8,-1.9 -8,-3.2 -2,-0.3 2,-0.3 -0.960 20.8 174.7-132.8 148.5 -20.0 0.0 -27.0 47 48 A A E -BC 37 58A 4 11,-2.9 11,-2.8 -2,-0.3 2,-0.4 -0.984 20.4-147.4-150.8 157.9 -21.3 3.0 -25.1 48 49 A E E +BC 36 57A 96 -12,-1.8 -13,-2.8 -2,-0.3 -12,-1.6 -0.991 25.7 159.1-127.8 137.4 -22.6 6.5 -25.6 49 50 A G E -BC 34 56A 6 7,-2.2 7,-2.5 -2,-0.4 2,-0.3 -0.859 21.4-149.6-141.6-175.9 -22.3 9.4 -23.2 50 51 A K E + C 0 55A 110 -17,-0.8 2,-0.3 -18,-0.5 5,-0.2 -0.966 9.9 178.8-155.6 140.4 -22.3 13.2 -23.0 51 52 A F E > - C 0 54A 14 3,-1.9 3,-2.2 -2,-0.3 -2,-0.0 -0.977 70.0 -24.0-140.7 141.1 -20.7 15.8 -20.9 52 53 A L T 3 S- 0 0 98 -2,-0.3 55,-0.0 1,-0.3 54,-0.0 -0.346 129.1 -29.9 55.8-140.7 -21.2 19.6 -21.4 53 54 A A T 3 S+ 0 0 82 -3,-0.1 2,-0.8 1,-0.1 -1,-0.3 0.399 117.8 105.8 -82.4 6.6 -22.2 20.0 -25.1 54 55 A F E < -C 51 0A 71 -3,-2.2 -3,-1.9 23,-0.0 2,-0.2 -0.778 47.4-171.8-105.8 103.7 -20.2 17.0 -26.1 55 56 A S E -C 50 0A 63 -2,-0.8 2,-0.3 -5,-0.2 -5,-0.3 -0.510 15.6-176.8 -76.8 148.2 -21.8 13.6 -27.1 56 57 A Y E -C 49 0A 10 -7,-2.5 -7,-2.2 -2,-0.2 2,-0.5 -0.994 23.8-148.2-147.2 155.3 -19.4 10.8 -27.6 57 58 A K E -C 48 0A 128 -2,-0.3 19,-1.2 -9,-0.2 2,-0.4 -0.993 22.5-178.7-124.7 123.5 -19.4 7.1 -28.6 58 59 A V E +CD 47 75A 4 -11,-2.8 -11,-2.9 -2,-0.5 2,-0.3 -0.918 4.6 174.6-122.5 146.7 -16.8 4.8 -27.0 59 60 A K E +CD 46 74A 102 15,-2.1 15,-2.4 -2,-0.4 2,-0.3 -0.973 13.3 138.0-144.4 156.8 -16.2 1.1 -27.7 60 61 A G E -CD 45 73A 11 -15,-2.4 -15,-2.3 -2,-0.3 2,-0.3 -0.984 38.6 -95.7-177.0-169.1 -13.5 -1.3 -26.4 61 62 A R E -CD 44 72A 94 11,-2.1 11,-2.5 -2,-0.3 2,-0.4 -0.973 21.9-134.2-136.1 144.9 -12.4 -4.6 -25.1 62 63 A V E - D 0 71A 0 -19,-2.7 2,-0.5 -2,-0.3 9,-0.2 -0.841 15.5-167.0-103.6 133.0 -11.7 -6.0 -21.7 63 64 A Y E - D 0 70A 116 7,-3.0 7,-2.6 -2,-0.4 2,-0.4 -0.987 9.0-151.5-118.4 127.2 -8.6 -8.1 -20.9 64 65 A K E + D 0 69A 109 -2,-0.5 2,-0.2 5,-0.2 5,-0.2 -0.833 24.1 162.2 -99.2 136.1 -8.3 -10.0 -17.7 65 66 A G E > - D 0 68A 50 3,-2.6 3,-1.2 -2,-0.4 2,-0.5 -0.689 52.5 -52.5-134.3-175.8 -4.9 -10.7 -16.2 66 67 A V T 3 S- 0 0 131 1,-0.3 3,-0.1 -2,-0.2 20,-0.1 -0.547 122.9 -19.2 -66.3 115.8 -3.5 -11.8 -12.8 67 68 A D T 3 S+ 0 0 82 -2,-0.5 19,-2.4 1,-0.1 2,-0.3 0.768 125.8 93.9 59.0 25.6 -5.0 -9.3 -10.3 68 69 A E E < -DE 65 85A 24 -3,-1.2 -3,-2.6 17,-0.2 2,-0.4 -1.000 53.3-163.5-151.6 144.8 -5.8 -6.9 -13.1 69 70 A V E -DE 64 84A 4 15,-2.5 15,-2.6 -2,-0.3 2,-0.4 -0.998 15.5-170.1-123.2 134.4 -8.5 -5.8 -15.5 70 71 A R E -DE 63 83A 103 -7,-2.6 -7,-3.0 -2,-0.4 2,-0.6 -0.989 5.0-167.1-127.5 122.8 -7.5 -3.7 -18.5 71 72 A I E -DE 62 82A 0 11,-3.4 11,-2.6 -2,-0.4 2,-0.5 -0.936 5.5-162.7-111.0 119.4 -10.1 -2.1 -20.7 72 73 A I E +DE 61 81A 74 -11,-2.5 -11,-2.1 -2,-0.6 2,-0.3 -0.858 20.3 177.4-102.0 128.5 -8.7 -0.7 -24.0 73 74 A Y E -DE 60 80A 6 7,-2.5 7,-2.3 -2,-0.5 2,-0.3 -0.922 22.2-163.9-136.1 156.6 -11.1 1.8 -25.6 74 75 A D E +D 59 0A 59 -15,-2.4 -15,-2.1 -2,-0.3 2,-0.3 -0.974 18.2 167.0-134.8 146.9 -11.3 4.1 -28.6 75 76 A S E > -D 58 0A 20 -2,-0.3 3,-1.8 -17,-0.2 -17,-0.2 -0.985 52.3-102.7-152.0 166.7 -13.8 7.0 -29.2 76 77 A D T 3 S+ 0 0 99 -19,-1.2 3,-0.1 -2,-0.3 -18,-0.1 0.477 123.7 51.7 -68.5 -4.3 -14.5 10.0 -31.3 77 78 A R T 3 S- 0 0 83 1,-0.5 -1,-0.3 -20,-0.2 26,-0.2 0.167 128.3 -67.9-114.5 16.0 -13.1 12.0 -28.4 78 79 A G < - 0 0 9 -3,-1.8 -1,-0.5 21,-0.1 2,-0.3 -0.441 50.6 -97.4 115.8 166.5 -9.8 10.1 -28.0 79 80 A N + 0 0 68 -5,-0.2 20,-2.8 -2,-0.1 2,-0.3 -0.768 42.6 141.6-122.7 164.1 -8.6 6.7 -27.0 80 81 A G E -EF 73 98A 12 -7,-2.3 -7,-2.5 -2,-0.3 2,-0.4 -0.925 39.8 -96.7-174.4-170.0 -7.2 5.3 -23.8 81 82 A I E -EF 72 97A 40 16,-2.1 16,-3.1 -2,-0.3 2,-0.5 -0.995 17.6-158.0-139.7 134.3 -6.8 2.5 -21.3 82 83 A L E -EF 71 96A 0 -11,-2.6 -11,-3.4 -2,-0.4 2,-0.4 -0.964 16.6-165.8-111.2 119.7 -8.7 2.0 -18.0 83 84 A Y E -EF 70 95A 38 12,-3.1 12,-2.6 -2,-0.5 2,-0.5 -0.888 13.6-169.8-105.6 138.2 -6.8 -0.2 -15.5 84 85 A I E -EF 69 94A 0 -15,-2.6 -15,-2.5 -2,-0.4 2,-0.5 -0.985 18.5-175.6-122.9 115.2 -8.3 -1.8 -12.3 85 86 A R E -EF 68 93A 119 8,-2.8 8,-2.5 -2,-0.5 2,-0.4 -0.964 24.1-135.1-119.4 124.9 -5.5 -3.3 -10.3 86 87 A K E + F 0 92A 45 -19,-2.4 6,-0.3 -2,-0.5 3,-0.1 -0.653 22.6 179.5 -72.5 128.6 -5.8 -5.3 -7.1 87 88 A K E - 0 0 94 4,-2.8 2,-0.3 -2,-0.4 5,-0.2 0.794 62.4 -29.8-101.4 -35.9 -3.2 -4.0 -4.6 88 89 A D E > S- F 0 91A 78 3,-1.7 3,-1.2 -75,-0.0 -1,-0.4 -0.888 84.2 -66.3-161.0-171.4 -4.0 -6.3 -1.6 89 90 A N T 3 S+ 0 0 103 -2,-0.3 -76,-0.4 1,-0.2 -75,-0.1 0.627 132.3 29.0 -61.6 -15.0 -6.9 -8.1 -0.1 90 91 A N T 3 S+ 0 0 62 1,-0.1 -81,-2.6 -78,-0.1 2,-0.4 0.287 114.1 59.5-126.4 8.5 -8.7 -4.8 0.8 91 92 A T E < +AF 8 88A 1 -3,-1.2 -4,-2.8 -83,-0.2 -3,-1.7 -0.999 46.0 176.0-149.0 136.4 -7.5 -2.3 -1.8 92 93 A L E -AF 7 86A 0 -85,-2.5 -85,-2.8 -2,-0.4 2,-0.4 -0.912 19.8-136.3-135.0 172.1 -7.6 -1.7 -5.5 93 94 A Q E -AF 6 85A 31 -8,-2.5 -8,-2.8 -2,-0.3 2,-0.5 -0.987 7.5-157.5-127.7 131.5 -6.4 1.1 -7.7 94 95 A I E -AF 5 84A 0 -89,-3.0 -89,-2.4 -2,-0.4 2,-0.4 -0.933 13.6-177.9-106.6 133.9 -8.3 2.5 -10.7 95 96 A I E -AF 4 83A 16 -12,-2.6 -12,-3.1 -2,-0.5 2,-0.6 -0.981 8.4-170.1-133.0 122.9 -6.3 4.3 -13.3 96 97 A L E -AF 3 82A 15 -93,-3.0 -93,-2.3 -2,-0.4 2,-0.5 -0.953 5.7-174.9-113.2 118.9 -7.7 6.0 -16.4 97 98 A E E -AF 2 81A 64 -16,-3.1 -16,-2.1 -2,-0.6 2,-0.4 -0.971 4.9-173.3-114.7 132.5 -5.2 7.2 -19.1 98 99 A H E - 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