==== 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 HYDROLASE 19-JAN-05 1YLI . COMPND 2 MOLECULE: PUTATIVE ACYL-COA THIOESTER HYDROLASE HI0827; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR STRUCTURE 2 FUNCTION PROJECT (S2F) . 288 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14605.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 70.5 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 . 96 33.3 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 . 5 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 23 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 17.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 2 0 0 0 0 0 0 0 0 0 2 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 . 5 2 0 0 2 2 0 0 0 2 2 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 2 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 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 11 A R 0 0 171 0, 0.0 2,-0.3 0, 0.0 103,-0.0 0.000 360.0 360.0 360.0 129.9 1.7 -21.9 26.1 2 12 A Q - 0 0 181 1,-0.1 102,-0.0 102,-0.0 2,-0.0 -0.835 360.0 -92.7-115.4 153.8 2.3 -23.7 22.8 3 13 A S - 0 0 55 -2,-0.3 2,-0.4 85,-0.0 -1,-0.1 -0.294 37.4-153.1 -61.0 147.7 0.4 -23.2 19.5 4 14 A K + 0 0 125 2,-0.1 84,-0.3 68,-0.1 2,-0.2 -0.987 51.6 25.9-127.9 141.8 -2.5 -25.6 18.8 5 15 A G S S- 0 0 36 -2,-0.4 2,-0.3 67,-0.1 69,-0.2 -0.500 94.3 -54.2 105.6-179.6 -3.8 -26.6 15.4 6 16 A V E -A 73 0A 72 67,-2.6 67,-2.6 -2,-0.2 2,-0.4 -0.725 61.0 -99.9 -93.5 151.2 -2.2 -26.9 12.0 7 17 A L E +A 72 0A 83 -2,-0.3 65,-0.2 65,-0.2 3,-0.1 -0.596 45.0 171.5 -72.3 127.0 -0.4 -23.9 10.5 8 18 A L E + 0 0 24 63,-3.5 2,-0.3 -2,-0.4 64,-0.2 0.851 61.8 6.8-103.3 -49.5 -2.8 -22.2 8.0 9 19 A L E -A 71 0A 40 62,-1.1 62,-2.5 2,-0.0 2,-0.4 -0.987 49.5-168.0-136.5 140.5 -1.2 -18.9 7.0 10 20 A R E +A 70 0A 133 -2,-0.3 2,-0.3 60,-0.2 60,-0.2 -0.922 28.5 170.5-128.8 113.3 2.2 -17.4 7.7 11 21 A T E -A 69 0A 35 58,-2.8 58,-3.5 -2,-0.4 2,-0.4 -0.923 34.3-128.8-132.3 134.7 2.2 -13.8 6.6 12 22 A L E -A 68 0A 98 -2,-0.3 2,-0.6 56,-0.2 56,-0.2 -0.734 33.2-119.7 -77.7 133.0 4.4 -10.7 7.0 13 23 A A - 0 0 0 54,-2.7 53,-2.8 -2,-0.4 54,-0.1 -0.673 42.0-163.9 -73.5 119.2 2.6 -7.7 8.4 14 24 A M > - 0 0 93 -2,-0.6 3,-2.1 51,-0.2 4,-0.4 -0.686 33.3-111.0-109.4 158.0 3.0 -5.2 5.6 15 25 A P G > S+ 0 0 85 0, 0.0 3,-1.4 0, 0.0 7,-0.1 0.870 118.5 59.4 -51.2 -37.9 2.6 -1.4 5.3 16 26 A S G 3 S+ 0 0 104 1,-0.3 -3,-0.0 6,-0.0 6,-0.0 0.573 98.3 62.1 -70.4 -8.4 -0.5 -1.9 3.1 17 27 A D G < S+ 0 0 36 -3,-2.1 8,-0.5 5,-0.1 -1,-0.3 0.529 88.2 92.5 -86.3 -13.4 -2.1 -3.9 6.0 18 28 A T B < S-F 24 0B 35 -3,-1.4 6,-0.2 -4,-0.4 2,-0.1 -0.295 77.4-111.3 -79.4 165.7 -2.1 -0.9 8.4 19 29 A N > - 0 0 30 4,-2.5 3,-2.1 1,-0.0 -1,-0.1 -0.230 53.4 -80.9 -76.7-176.3 -4.8 1.6 9.1 20 30 A A T 3 S+ 0 0 115 1,-0.3 -2,-0.1 2,-0.1 -1,-0.0 0.688 132.2 56.9 -65.8 -19.5 -4.3 5.2 8.1 21 31 A N T 3 S- 0 0 90 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.487 118.9-108.2 -87.1 -5.3 -2.2 5.8 11.2 22 32 A G S < S+ 0 0 39 -3,-2.1 2,-0.4 1,-0.3 43,-0.3 0.581 76.1 132.0 84.7 12.7 0.3 3.0 10.3 23 33 A D - 0 0 35 41,-0.1 -4,-2.5 -6,-0.0 2,-0.5 -0.795 64.4-120.5 -96.2 135.8 -0.9 0.6 13.0 24 34 A I B -F 18 0B 22 39,-0.7 39,-0.3 -2,-0.4 2,-0.2 -0.676 45.0-153.7 -65.4 123.3 -1.8 -3.0 12.4 25 35 A F >> - 0 0 24 -8,-0.5 4,-1.3 -2,-0.5 3,-0.6 -0.630 24.7-107.4-112.5 165.0 -5.4 -3.0 13.5 26 36 A G H 3> S+ 0 0 5 1,-0.2 4,-2.7 -2,-0.2 5,-0.3 0.886 113.7 62.4 -60.6 -42.5 -7.8 -5.7 14.9 27 37 A G H 3> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.872 101.1 51.9 -49.9 -44.0 -9.8 -5.9 11.7 28 38 A W H <> S+ 0 0 18 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.909 110.6 48.4 -62.0 -40.0 -6.7 -7.1 9.7 29 39 A I H X S+ 0 0 9 -4,-1.3 4,-2.4 -3,-0.3 -2,-0.2 0.938 111.0 50.1 -65.9 -45.2 -6.1 -9.8 12.2 30 40 A M H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.895 110.0 52.5 -57.3 -39.8 -9.8 -10.9 12.1 31 41 A S H X S+ 0 0 17 -4,-2.2 4,-2.5 -5,-0.3 144,-0.2 0.923 108.9 47.4 -66.5 -44.5 -9.6 -11.0 8.4 32 42 A Q H X S+ 0 0 21 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.896 112.1 51.5 -56.8 -45.6 -6.5 -13.3 8.4 33 43 A M H X S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 5,-0.2 0.931 111.6 46.0 -60.3 -47.2 -8.2 -15.6 10.9 34 44 A D H X S+ 0 0 3 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.940 116.6 45.0 -62.4 -48.2 -11.3 -15.9 8.8 35 45 A M H < S+ 0 0 64 -4,-2.5 4,-0.5 -5,-0.2 -1,-0.2 0.883 118.0 42.8 -61.2 -43.2 -9.3 -16.4 5.6 36 46 A G H >X S+ 0 0 0 -4,-2.8 3,-1.7 2,-0.2 4,-1.0 0.950 112.3 52.6 -71.6 -46.6 -6.9 -18.9 7.2 37 47 A G H 3X S+ 0 0 0 -4,-3.3 4,-2.2 1,-0.3 3,-0.2 0.854 104.6 58.0 -55.0 -41.2 -9.7 -20.8 9.1 38 48 A A H 3X S+ 0 0 21 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.3 0.695 94.4 65.4 -66.2 -21.0 -11.6 -21.2 5.9 39 49 A I H <> S+ 0 0 63 -3,-1.7 4,-2.1 -4,-0.5 -1,-0.2 0.967 108.1 40.0 -64.3 -50.2 -8.6 -23.1 4.2 40 50 A L H X S+ 0 0 20 -4,-1.0 4,-2.0 -3,-0.2 5,-0.2 0.918 114.5 53.7 -64.8 -45.0 -9.1 -25.9 6.7 41 51 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.913 109.5 47.7 -53.7 -45.5 -12.9 -25.7 6.5 42 52 A K H X>S+ 0 0 104 -4,-2.5 4,-1.9 1,-0.2 5,-1.0 0.888 107.9 56.6 -65.3 -42.1 -12.8 -26.0 2.6 43 53 A E H <5S+ 0 0 90 -4,-2.1 88,-0.2 1,-0.2 -1,-0.2 0.931 115.4 36.2 -50.5 -50.3 -10.4 -28.9 2.9 44 54 A I H <5S+ 0 0 1 -4,-2.0 88,-0.2 1,-0.2 -2,-0.2 0.834 118.7 50.3 -75.4 -32.7 -12.9 -30.8 5.1 45 55 A A H <5S- 0 0 0 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.689 97.5-136.6 -84.8 -15.7 -16.0 -29.6 3.3 46 56 A H T <5S+ 0 0 85 -4,-1.9 2,-0.3 -5,-0.2 -3,-0.2 0.902 72.5 11.5 58.2 44.1 -14.7 -30.5 -0.2 47 57 A G S - 0 0 48 -2,-0.4 3,-2.1 -41,-0.1 -51,-0.3 -0.781 31.5 -94.2-106.8 151.9 4.2 -4.3 14.2 65 75 A V T 3 S+ 0 0 51 -2,-0.3 -51,-0.2 -43,-0.3 3,-0.1 -0.434 115.9 35.9 -61.3 132.7 4.8 -4.0 10.5 66 76 A G T 3 S+ 0 0 24 -53,-2.8 -1,-0.3 1,-0.4 -52,-0.1 0.041 90.1 121.2 107.8 -26.8 7.5 -6.4 9.7 67 77 A D < - 0 0 0 -3,-2.1 -54,-2.7 27,-0.1 2,-0.5 -0.339 66.7-117.1 -71.2 152.6 6.4 -9.0 12.2 68 78 A V E -AD 12 92A 13 24,-2.5 24,-2.2 -56,-0.2 2,-0.5 -0.795 27.4-158.7 -91.7 132.1 5.5 -12.5 11.1 69 79 A V E -AD 11 91A 0 -58,-3.5 -58,-2.8 -2,-0.5 2,-0.4 -0.946 6.4-168.8-118.5 121.5 1.9 -13.5 11.7 70 80 A C E -AD 10 90A 3 20,-3.1 20,-2.4 -2,-0.5 2,-0.5 -0.929 8.0-157.6-112.6 130.9 0.8 -17.2 11.9 71 81 A C E -AD 9 89A 0 -62,-2.5 -63,-3.5 -2,-0.4 -62,-1.1 -0.945 11.6-164.3-105.8 128.0 -2.7 -18.5 11.9 72 82 A Y E -AD 7 88A 44 16,-2.7 16,-2.1 -2,-0.5 2,-0.4 -0.899 5.0-153.3-113.3 144.5 -3.3 -21.9 13.4 73 83 A G E +AD 6 87A 2 -67,-2.6 -67,-2.6 -2,-0.4 2,-0.4 -0.925 16.6 176.2-129.6 132.9 -6.4 -24.0 12.9 74 84 A Q E - 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