==== 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 14-MAR-08 3CJY . COMPND 2 MOLECULE: PUTATIVE THIOESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NOVOSPHINGOBIUM AROMATICIVORANS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 253 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11978.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 70.0 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 . 98 38.7 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 . 21 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 1 1 0 0 0 0 0 0 1 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 . 3 2 1 1 3 1 1 2 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 . 0 1 0 0 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 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 4 A A 0 0 70 0, 0.0 38,-0.1 0, 0.0 169,-0.0 0.000 360.0 360.0 360.0 -41.7 -18.0 -38.2 14.2 2 5 A F > - 0 0 20 1,-0.1 3,-1.8 3,-0.1 0, 0.0 -0.785 360.0-179.5-133.2 89.2 -20.8 -36.5 12.3 3 6 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.812 85.5 56.9 -53.3 -36.7 -22.6 -33.7 14.3 4 7 A A T 3 S+ 0 0 65 12,-0.1 12,-0.4 2,-0.1 2,-0.4 0.543 82.8 108.2 -77.0 -6.6 -25.0 -33.0 11.3 5 8 A L < - 0 0 25 -3,-1.8 2,-0.5 10,-0.1 10,-0.2 -0.570 55.8-160.1 -76.1 127.0 -26.1 -36.6 11.3 6 9 A V E -A 14 0A 78 8,-3.4 8,-2.8 -2,-0.4 2,-0.5 -0.932 7.2-147.1-114.5 132.5 -29.7 -36.9 12.6 7 10 A R E +A 13 0A 97 -2,-0.5 6,-0.3 6,-0.2 3,-0.1 -0.839 15.7 179.7 -96.6 125.9 -31.2 -40.2 13.9 8 11 A Q E S- 0 0 111 4,-3.8 2,-0.3 -2,-0.5 5,-0.2 0.822 71.1 -41.6 -89.4 -37.5 -34.9 -40.7 13.3 9 12 A D E > S-A 12 0A 76 3,-1.9 3,-0.7 0, 0.0 -1,-0.4 -0.939 83.0 -53.4-167.2-176.0 -34.8 -44.0 15.1 10 13 A D T 3 S+ 0 0 88 -2,-0.3 2,-0.8 1,-0.2 37,-0.1 -0.470 134.1 21.6 -60.4 151.2 -32.8 -47.2 15.5 11 14 A A T 3 S+ 0 0 30 32,-0.2 62,-2.7 61,-0.1 2,-0.5 0.051 113.5 76.8 80.3 -35.6 -32.6 -48.0 11.7 12 15 A R E < +AB 9 72A 37 -2,-0.8 -4,-3.8 -3,-0.7 -3,-1.9 -0.943 47.9 155.2-128.5 126.0 -33.2 -44.5 10.2 13 16 A Y E -AB 7 71A 4 58,-2.9 58,-3.0 -2,-0.5 2,-0.3 -0.903 16.4-163.6-134.8 158.5 -30.8 -41.6 9.9 14 17 A A E +AB 6 70A 11 -8,-2.8 -8,-3.4 -2,-0.3 2,-0.3 -0.997 6.8 177.9-146.9 148.8 -30.3 -38.5 7.7 15 18 A I E - B 0 69A 7 54,-1.9 54,-3.0 -2,-0.3 2,-0.5 -0.981 26.0-130.4-149.0 137.6 -27.6 -36.0 6.9 16 19 A T E - B 0 68A 84 -12,-0.4 2,-0.8 -2,-0.3 52,-0.2 -0.794 29.0-125.2 -90.2 129.7 -27.4 -33.0 4.6 17 20 A V + 0 0 1 50,-3.0 49,-2.8 -2,-0.5 50,-0.1 -0.707 35.6 179.2 -82.3 112.8 -24.3 -33.0 2.4 18 21 A G > - 0 0 18 -2,-0.8 3,-1.9 47,-0.2 4,-0.3 -0.490 47.1 -87.8-105.1 173.9 -22.4 -29.7 2.8 19 22 A P G > S+ 0 0 57 0, 0.0 121,-1.9 0, 0.0 3,-1.5 0.792 120.2 68.1 -56.2 -27.8 -19.1 -28.6 1.2 20 23 A D G 3 S+ 0 0 106 1,-0.3 124,-0.1 120,-0.2 119,-0.1 0.725 106.8 38.5 -66.2 -21.4 -17.1 -30.1 4.0 21 24 A L G < S+ 0 0 14 -3,-1.9 11,-2.8 120,-0.0 2,-0.3 0.272 101.9 101.6-110.0 5.9 -18.0 -33.6 2.9 22 25 A A E < +N 31 0B 0 -3,-1.5 119,-2.6 -4,-0.3 120,-0.4 -0.752 40.9 174.3-103.3 143.9 -17.8 -32.9 -0.8 23 26 A V E +N 30 0B 33 7,-3.0 7,-2.9 -2,-0.3 117,-0.1 -0.895 19.4 110.7-131.4 168.0 -15.2 -33.7 -3.5 24 27 A G - 0 0 9 -2,-0.3 112,-2.6 115,-0.2 115,-0.2 -0.608 59.7 -79.6 144.2 157.5 -14.9 -33.3 -7.2 25 28 A P S > S- 0 0 72 0, 0.0 3,-2.5 0, 0.0 110,-0.2 -0.372 76.2 -60.6 -73.3 162.5 -13.2 -31.4 -10.0 26 29 A P T 3 S+ 0 0 81 0, 0.0 3,-0.1 0, 0.0 110,-0.1 -0.146 130.3 29.1 -47.5 128.8 -14.5 -28.0 -10.9 27 30 A G T 3 S+ 0 0 63 1,-0.2 2,-0.4 -3,-0.1 108,-0.0 0.255 112.9 79.0 101.6 -9.0 -18.1 -28.1 -12.0 28 31 A H < + 0 0 85 -3,-2.5 108,-0.5 2,-0.0 2,-0.3 -0.991 45.6 169.8-134.5 140.6 -18.7 -31.1 -9.8 29 32 A A + 0 0 16 -2,-0.4 36,-2.6 -3,-0.1 2,-0.3 -0.871 17.2 155.7-151.9 112.0 -19.3 -31.5 -6.1 30 33 A Y E -NO 23 64B 71 -7,-2.9 -7,-3.0 -2,-0.3 2,-0.1 -0.922 50.8 -77.8-135.6 157.8 -20.5 -34.8 -4.7 31 34 A L E -N 22 0B 14 32,-2.7 32,-0.3 -2,-0.3 -9,-0.2 -0.382 56.1-108.9 -56.9 124.8 -20.4 -36.6 -1.4 32 35 A F > - 0 0 13 -11,-2.8 4,-1.9 1,-0.1 3,-0.5 -0.385 19.6-132.5 -56.0 130.5 -16.9 -38.1 -0.8 33 36 A G H > S+ 0 0 12 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.895 107.2 53.5 -55.1 -45.2 -17.0 -41.9 -1.1 34 37 A G H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.809 106.5 52.7 -60.4 -32.9 -15.0 -42.3 2.1 35 38 A A H > S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.867 106.3 53.9 -70.9 -36.3 -17.5 -40.2 3.9 36 39 A S H X S+ 0 0 5 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.939 111.5 44.8 -60.0 -48.7 -20.3 -42.4 2.6 37 40 A X H X S+ 0 0 1 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.951 112.2 52.2 -60.1 -47.7 -18.4 -45.4 4.0 38 41 A A H X S+ 0 0 1 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.896 111.7 46.6 -53.3 -45.8 -17.8 -43.5 7.3 39 42 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.890 110.9 51.4 -67.2 -40.6 -21.5 -42.7 7.6 40 43 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.939 113.9 44.2 -64.3 -43.7 -22.6 -46.3 6.8 41 44 A L H X S+ 0 0 2 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.860 112.1 53.7 -69.0 -32.0 -20.3 -47.6 9.5 42 45 A D H X S+ 0 0 49 -4,-2.0 4,-2.5 -5,-0.3 5,-0.2 0.966 110.8 43.9 -66.9 -50.7 -21.3 -44.9 11.9 43 46 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -32,-0.2 0.843 113.5 52.6 -66.4 -34.9 -25.1 -45.7 11.7 44 47 A A H X S+ 0 0 0 -4,-1.9 4,-3.0 -5,-0.3 5,-0.3 0.953 112.5 43.6 -65.5 -49.2 -24.4 -49.5 11.8 45 48 A A H X>S+ 0 0 28 -4,-2.3 4,-2.9 1,-0.2 5,-0.6 0.905 115.3 49.7 -64.5 -37.0 -22.3 -49.2 15.0 46 49 A E H <5S+ 0 0 102 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.881 115.2 43.1 -71.4 -37.4 -24.9 -46.8 16.5 47 50 A T H <5S+ 0 0 13 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.935 123.2 36.3 -75.0 -42.4 -27.8 -49.0 15.7 48 51 A V H <5S- 0 0 25 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.797 99.4-132.8 -83.2 -32.2 -26.1 -52.3 16.8 49 52 A G T <5S+ 0 0 65 -4,-2.9 -3,-0.2 -5,-0.3 -4,-0.1 0.765 71.1 86.2 85.3 28.8 -24.2 -50.9 19.7 50 53 A R S -O 30 0B 52 0, 0.0 3,-2.2 0, 0.0 -34,-0.3 -0.222 30.2 -86.1 -61.4 150.2 -24.8 -34.2 -5.2 65 68 A L T 3 S+ 0 0 55 -36,-2.6 -47,-0.2 1,-0.3 3,-0.1 -0.316 117.1 27.7 -48.9 135.2 -23.6 -31.5 -2.8 66 69 A G T 3 S+ 0 0 49 -49,-2.8 -1,-0.3 1,-0.3 -48,-0.1 0.303 89.6 132.1 91.7 -10.0 -26.6 -30.3 -0.8 67 70 A S < - 0 0 18 -3,-2.2 -50,-3.0 -51,-0.1 2,-0.6 -0.349 59.9-121.9 -70.0 156.4 -28.6 -33.5 -1.0 68 71 A V E -B 16 0A 61 -52,-0.2 2,-0.6 -3,-0.1 24,-0.4 -0.904 27.1-152.6 -96.5 122.2 -30.2 -35.1 2.1 69 72 A L E -B 15 0A 0 -54,-3.0 -54,-1.9 -2,-0.6 2,-0.5 -0.868 5.0-157.5 -99.3 120.0 -28.8 -38.6 2.4 70 73 A D E -BE 14 90A 55 20,-3.2 20,-2.3 -2,-0.6 2,-0.5 -0.870 5.9-162.3 -96.5 131.5 -31.1 -41.0 4.1 71 74 A L E -BE 13 89A 1 -58,-3.0 -58,-2.9 -2,-0.5 2,-0.5 -0.977 4.0-169.0-118.1 128.7 -29.5 -44.0 5.7 72 75 A T E -BE 12 88A 65 16,-2.4 16,-2.4 -2,-0.5 2,-0.4 -0.980 7.5-154.2-119.3 127.7 -31.5 -47.1 6.6 73 76 A V E - E 0 87A 9 -62,-2.7 2,-0.5 -2,-0.5 14,-0.2 -0.874 8.5-171.7-107.2 128.9 -30.1 -49.9 8.7 74 77 A E E - E 0 86A 93 12,-3.1 12,-2.5 -2,-0.4 2,-0.7 -0.984 15.0-147.4-117.2 123.8 -31.2 -53.5 8.7 75 78 A V E - E 0 85A 65 -2,-0.5 10,-0.3 10,-0.2 3,-0.1 -0.779 14.6-178.0 -92.6 116.6 -29.8 -55.9 11.3 76 79 A L E S- 0 0 86 8,-2.1 2,-0.3 -2,-0.7 9,-0.2 0.763 70.9 -9.6 -84.9 -25.3 -29.4 -59.3 9.8 77 80 A Q E - E 0 84A 87 7,-1.7 7,-2.5 2,-0.0 -1,-0.3 -0.927 50.0-172.7-172.7 144.2 -28.2 -60.8 13.1 78 81 A S E + E 0 83A 74 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.663 26.9 151.1-147.4 89.7 -27.0 -59.8 16.6 79 82 A G - 0 0 38 3,-2.6 -2,-0.0 -2,-0.2 0, 0.0 -0.417 60.4 -82.2-107.5-176.6 -25.5 -62.5 18.8 80 83 A R S S+ 0 0 78 1,-0.2 3,-0.1 -2,-0.1 -1,-0.0 0.789 125.1 27.7 -59.3 -29.4 -23.0 -62.7 21.6 81 84 A T S S+ 0 0 85 1,-0.3 2,-0.3 23,-0.1 24,-0.2 0.777 125.4 14.0-107.2 -24.9 -20.0 -62.9 19.3 82 85 A L - 0 0 46 22,-0.1 -3,-2.6 2,-0.0 2,-0.4 -0.993 48.8-162.0-154.8 147.2 -21.0 -61.0 16.1 83 86 A A E -EF 78 103A 0 20,-2.7 20,-3.2 -2,-0.3 2,-0.4 -0.973 9.3-163.1-130.3 148.7 -23.5 -58.8 14.5 84 87 A Q E +EF 77 102A 63 -7,-2.5 -8,-2.1 -2,-0.4 -7,-1.7 -0.997 12.4 171.6-132.6 140.4 -24.2 -58.1 10.8 85 88 A A E -EF 75 101A 2 16,-2.6 16,-2.6 -2,-0.4 2,-0.4 -0.924 23.2-142.0-141.4 160.8 -26.1 -55.3 9.2 86 89 A R E -EF 74 100A 125 -12,-2.5 -12,-3.1 -2,-0.3 2,-0.4 -0.983 15.7-161.7-122.0 141.9 -26.9 -53.8 5.9 87 90 A V E -EF 73 99A 1 12,-1.3 12,-1.2 -2,-0.4 2,-0.4 -0.987 1.0-163.6-129.2 123.3 -27.1 -50.1 5.2 88 91 A A E -EF 72 98A 31 -16,-2.4 -16,-2.4 -2,-0.4 2,-0.5 -0.893 5.1-155.3-107.1 135.0 -28.8 -48.4 2.3 89 92 A G E +EF 71 97A 0 8,-2.6 7,-2.7 -2,-0.4 8,-1.6 -0.900 20.3 172.0-108.4 131.7 -28.2 -44.9 1.3 90 93 A T E -EF 70 95A 29 -20,-2.3 -20,-3.2 -2,-0.5 2,-0.5 -0.991 23.8-157.3-139.7 149.6 -30.9 -43.1 -0.6 91 94 A V E > S- F 0 94A 5 3,-2.3 3,-2.5 -2,-0.3 -22,-0.1 -0.990 87.7 -16.1-126.6 117.4 -31.6 -39.6 -1.8 92 95 A D T 3 S- 0 0 147 -2,-0.5 -1,-0.1 -24,-0.4 3,-0.1 0.871 130.4 -54.1 57.1 33.4 -35.2 -38.7 -2.5 93 96 A G T 3 S+ 0 0 65 1,-0.3 2,-0.4 -23,-0.0 -1,-0.3 0.264 111.4 126.0 86.4 -12.3 -35.9 -42.5 -2.5 94 97 A R E < - F 0 91A 101 -3,-2.5 -3,-2.3 1,-0.1 2,-0.4 -0.660 65.5-118.4 -81.6 130.5 -33.2 -43.1 -5.1 95 98 A L E + F 0 90A 72 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.538 39.4 165.2 -71.4 124.2 -30.6 -45.7 -4.2 96 99 A V E - 0 0 1 -7,-2.7 -36,-2.5 1,-0.4 -35,-1.6 0.653 66.2 -7.8-110.0 -25.6 -27.1 -44.2 -4.1 97 100 A F E -CF 59 89A 2 -8,-1.6 -8,-2.6 -38,-0.3 -1,-0.4 -0.984 51.2-160.2-165.1 156.7 -25.3 -47.0 -2.2 98 101 A H E -CF 58 88A 90 -40,-1.5 -40,-2.9 -2,-0.3 2,-0.3 -0.983 18.9-175.1-138.4 152.7 -25.8 -50.3 -0.3 99 102 A S E -CF 57 87A 4 -12,-1.2 -12,-1.3 -2,-0.3 2,-0.4 -0.970 23.8-143.8-149.8 159.7 -23.5 -52.0 2.1 100 103 A G E -CF 56 86A 32 -44,-2.3 -44,-2.5 -2,-0.3 2,-0.4 -0.995 25.5-176.7-127.2 128.8 -22.8 -55.0 4.3 101 104 A I E -CF 55 85A 3 -16,-2.6 -16,-2.6 -2,-0.4 2,-0.4 -0.985 16.2-153.1-134.6 135.2 -21.1 -54.5 7.7 102 105 A S E -CF 54 84A 13 -48,-2.6 -49,-3.0 -2,-0.4 -48,-1.6 -0.922 18.1-171.7-107.9 138.7 -19.9 -56.9 10.4 103 106 A L E +CF 52 83A 0 -20,-3.2 -20,-2.7 -2,-0.4 2,-0.2 -0.946 21.7 110.0-132.4 146.2 -19.7 -55.7 14.0 104 107 A G - 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0 0 47 1,-0.0 2,-0.4 127,-0.0 127,-0.2 -0.421 66.3-146.2 -76.3 141.7 2.8 -56.7 9.1 116 119 A L - 0 0 161 -2,-0.1 125,-0.1 125,-0.1 124,-0.1 -0.941 19.6-115.8-110.3 133.5 5.6 -54.2 9.3 117 120 A A - 0 0 25 -2,-0.4 125,-0.0 123,-0.4 124,-0.0 -0.259 37.1-101.2 -62.6 143.9 5.2 -50.6 8.4 118 121 A P - 0 0 19 0, 0.0 2,-2.1 0, 0.0 -1,-0.1 -0.399 37.1-109.3 -66.8 149.8 7.2 -49.3 5.4 119 122 A P + 0 0 136 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.285 60.4 154.0 -81.8 62.5 10.3 -47.3 6.5 120 123 A V - 0 0 27 -2,-2.1 31,-0.1 1,-0.1 30,-0.1 -0.375 50.8 -91.4 -84.1 159.6 9.1 -43.8 5.5 121 124 A P - 0 0 60 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 -0.343 49.9 -96.9 -65.0 153.2 10.3 -40.6 7.1 122 125 A Q > - 0 0 81 1,-0.1 3,-2.1 -3,-0.1 4,-0.1 -0.260 43.4 -97.0 -63.2 161.0 8.3 -39.2 10.0 123 126 A P G > S+ 0 0 0 0, 0.0 3,-1.8 0, 0.0 40,-0.1 0.835 122.2 54.4 -53.5 -41.1 5.7 -36.5 9.2 124 127 A D G 3 S+ 0 0 128 1,-0.3 -2,-0.0 24,-0.0 0, 0.0 0.570 105.9 55.6 -75.3 -3.1 7.9 -33.5 10.1 125 128 A N G < S+ 0 0 127 -3,-2.1 -1,-0.3 2,-0.1 -3,-0.0 0.199 96.3 83.9-108.0 12.9 10.5 -34.8 7.7 126 129 A C S < S- 0 0 13 -3,-1.8 24,-0.1 -4,-0.1 3,-0.1 -0.946 75.4-125.3-120.7 137.6 8.1 -34.9 4.8 127 130 A P - 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