==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-JUL-13 4LYD . COMPND 2 MOLECULE: MCP HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOMONAS WITTICHII; . AUTHOR S.GHOSH,J.T.BOLIN,S.BHOWMIK . 268 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11386.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 17 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 34.3 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 1 3 0 1 0 0 1 2 2 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 1 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 PARALLEL BRIDGES PER LADDER . 0 1 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 M 0 0 76 0, 0.0 41,-0.1 0, 0.0 168,-0.0 0.000 360.0 360.0 360.0 154.9 -34.3 27.8 -2.8 2 2 A F > + 0 0 10 1,-0.1 3,-2.0 39,-0.1 0, 0.0 0.529 360.0 141.2 72.7 15.5 -34.6 29.4 0.6 3 3 A E T 3 + 0 0 144 1,-0.3 -1,-0.1 3,-0.1 4,-0.1 0.531 50.5 86.6 -70.9 -3.6 -36.1 32.6 -0.8 4 4 A Q T 3 S+ 0 0 132 2,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.671 85.3 67.1 -60.9 -17.4 -38.4 32.7 2.3 5 5 A F S < S- 0 0 16 -3,-2.0 2,-0.7 15,-0.0 17,-0.1 -0.897 89.8-124.5-107.8 139.8 -35.5 34.6 3.9 6 6 A E - 0 0 140 -2,-0.4 15,-0.3 15,-0.3 2,-0.2 -0.682 25.5-131.5 -82.0 113.9 -34.4 38.0 2.8 7 7 A S - 0 0 42 -2,-0.7 2,-0.3 13,-0.1 13,-0.2 -0.509 30.8-177.7 -62.1 127.8 -30.7 38.0 1.8 8 8 A K E -A 19 0A 59 11,-2.5 11,-2.2 -2,-0.2 2,-0.3 -0.810 9.7-155.2-124.1 166.6 -28.9 40.9 3.4 9 9 A F E +A 18 0A 72 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.992 12.4 174.1-144.9 141.5 -25.2 42.0 3.2 10 10 A I E -A 17 0A 47 7,-2.0 7,-3.6 -2,-0.3 2,-0.5 -0.984 33.1-109.2-150.4 156.6 -22.9 43.9 5.4 11 11 A D E -A 16 0A 93 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.762 22.6-168.3 -94.5 129.8 -19.2 44.8 5.2 12 12 A C E > S-A 15 0A 2 3,-3.5 3,-2.1 -2,-0.5 78,-0.1 -0.858 75.1 -46.7-120.1 92.9 -16.9 43.1 7.7 13 13 A D T 3 S- 0 0 143 -2,-0.6 -1,-0.1 1,-0.3 3,-0.1 0.926 124.0 -38.7 41.8 53.7 -13.5 44.9 7.6 14 14 A G T 3 S+ 0 0 50 1,-0.2 2,-0.7 0, 0.0 -1,-0.3 0.395 117.2 113.5 79.7 -3.1 -13.7 44.7 3.8 15 15 A I E < -A 12 0A 25 -3,-2.1 -3,-3.5 71,-0.1 2,-0.6 -0.920 63.9-140.0 -97.4 117.8 -15.2 41.2 3.6 16 16 A R E -A 11 0A 118 -2,-0.7 53,-2.9 -5,-0.2 2,-0.5 -0.713 25.6-159.7 -79.1 124.6 -18.7 41.6 2.2 17 17 A T E -A 10 0A 0 -7,-3.6 -7,-2.0 -2,-0.6 2,-0.3 -0.906 13.0-145.9-123.4 123.3 -20.8 39.2 4.2 18 18 A H E +A 9 0A 1 -2,-0.5 43,-2.3 -9,-0.2 2,-0.3 -0.613 28.6 161.7 -80.0 140.2 -24.2 37.6 3.4 19 19 A Y E -AB 8 60A 21 -11,-2.2 -11,-2.5 -2,-0.3 2,-0.3 -0.986 25.1-150.6-151.8 156.5 -26.7 36.9 6.2 20 20 A I E - B 0 59A 1 39,-2.6 39,-1.7 -2,-0.3 2,-0.3 -0.859 17.8-175.3-117.2 159.1 -30.3 36.2 6.9 21 21 A E E + B 0 58A 41 -15,-0.3 -15,-0.3 -2,-0.3 2,-0.3 -0.989 7.6 175.5-152.4 168.0 -32.4 37.0 9.9 22 22 A M E + B 0 57A 75 35,-1.5 35,-2.8 -2,-0.3 33,-0.1 -0.974 41.7 22.9-170.0 146.9 -35.7 36.6 11.5 23 23 A G - 0 0 29 -2,-0.3 2,-0.3 33,-0.2 33,-0.2 -0.174 69.1 -96.2 81.4-173.9 -37.8 37.2 14.6 24 24 A E + 0 0 171 28,-0.6 2,-0.3 31,-0.3 33,-0.0 -0.953 69.6 55.7-143.2 153.8 -37.3 39.8 17.4 25 25 A G S S+ 0 0 51 -2,-0.3 30,-0.2 30,-0.2 3,-0.1 -0.922 90.6 5.2 126.2-150.0 -35.7 39.8 20.7 26 26 A D S S- 0 0 88 28,-0.4 30,-2.7 -2,-0.3 2,-0.3 -0.409 84.1 -99.1 -73.5 149.6 -32.2 38.9 22.0 27 27 A P E -c 56 0A 20 0, 0.0 73,-2.1 0, 0.0 2,-0.4 -0.504 36.5-176.9 -81.8 135.4 -29.7 38.1 19.3 28 28 A L E -cd 57 100A 0 28,-3.0 30,-2.6 -2,-0.3 2,-0.4 -0.998 8.9-161.6-126.4 125.9 -28.9 34.6 18.4 29 29 A V E -cd 58 101A 0 71,-2.4 73,-2.3 -2,-0.4 2,-0.4 -0.939 2.1-158.5-115.2 128.8 -26.1 33.9 15.8 30 30 A L E -cd 59 102A 0 28,-2.9 30,-1.2 -2,-0.4 2,-0.5 -0.905 0.6-157.6-110.9 135.5 -25.8 30.6 14.0 31 31 A V E -cd 60 103A 0 71,-2.7 73,-2.3 -2,-0.4 76,-0.1 -0.952 15.4-139.4-118.4 115.0 -22.5 29.4 12.4 32 32 A H - 0 0 0 28,-0.6 8,-0.1 -2,-0.5 2,-0.0 -0.064 22.9 -96.3 -70.6 169.5 -22.7 26.8 9.6 33 33 A G - 0 0 5 6,-0.2 72,-0.1 73,-0.2 -1,-0.1 -0.239 28.7-116.8 -82.2 172.9 -20.4 23.8 9.0 34 34 A G + 0 0 8 3,-0.1 3,-0.1 -2,-0.0 -1,-0.1 0.133 65.2 125.8-107.2 18.8 -17.5 23.8 6.6 35 35 A G S > S- 0 0 33 1,-0.2 3,-1.6 2,-0.1 2,-0.3 -0.111 75.3 -70.1 -69.8 172.2 -18.6 21.1 4.0 36 36 A A T 3 S+ 0 0 11 1,-0.3 141,-0.4 29,-0.1 -1,-0.2 -0.496 119.7 5.6 -75.9 127.4 -18.7 21.8 0.3 37 37 A G T 3 S+ 0 0 10 139,-0.3 -1,-0.3 -2,-0.3 139,-0.1 0.478 93.9 151.4 80.8 2.0 -21.5 24.2 -0.6 38 38 A A < + 0 0 4 -3,-1.6 28,-0.6 138,-0.1 2,-0.3 -0.337 10.2 151.6 -65.7 146.2 -22.4 24.8 3.0 39 39 A D > - 0 0 0 26,-0.1 4,-1.1 22,-0.1 -6,-0.2 -0.941 55.7 -89.1-157.3-179.5 -24.0 28.1 4.1 40 40 A G H > S+ 0 0 1 -2,-0.3 4,-2.3 1,-0.2 3,-0.2 0.893 116.7 51.0 -57.7 -47.7 -26.3 29.6 6.7 41 41 A R H > S+ 0 0 26 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.892 112.5 42.5 -65.8 -45.4 -29.6 29.0 4.9 42 42 A S H 4 S+ 0 0 6 2,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.682 117.2 48.1 -76.8 -23.1 -29.2 25.4 4.0 43 43 A N H < S+ 0 0 3 -4,-1.1 -2,-0.2 -3,-0.2 -1,-0.2 0.878 126.9 22.2 -81.1 -39.0 -27.8 24.5 7.4 44 44 A F H >X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 3,-0.7 0.287 82.3 110.8-119.0 8.1 -30.4 26.3 9.5 45 45 A A T 3< S+ 0 0 18 -4,-1.3 -1,-0.1 1,-0.3 -3,-0.1 0.826 85.0 48.0 -57.8 -35.4 -33.5 26.7 7.4 46 46 A D T 34 S+ 0 0 100 1,-0.2 4,-0.4 -3,-0.2 -1,-0.3 0.782 115.5 43.2 -78.2 -27.0 -35.5 24.2 9.5 47 47 A N T <> S+ 0 0 0 -3,-0.7 4,-2.7 1,-0.1 5,-0.3 0.726 94.7 82.7 -87.8 -26.3 -34.5 25.7 12.8 48 48 A F H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.1 0.873 91.7 42.8 -52.5 -52.7 -35.0 29.4 11.9 49 49 A P H > S+ 0 0 54 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.866 113.5 52.8 -68.1 -31.6 -38.8 29.8 12.4 50 50 A I H >4 S+ 0 0 42 -4,-0.4 3,-1.2 1,-0.2 4,-0.3 0.980 115.4 41.3 -62.2 -52.7 -38.7 27.8 15.7 51 51 A F H >X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 3,-1.6 0.804 104.9 65.8 -61.8 -37.1 -36.0 30.1 17.0 52 52 A A H 3< S+ 0 0 15 -4,-2.2 -28,-0.6 -5,-0.3 -1,-0.2 0.664 88.4 69.9 -65.2 -14.3 -37.6 33.2 15.5 53 53 A R T << S+ 0 0 178 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.806 118.0 17.4 -68.4 -23.5 -40.5 32.7 17.9 54 54 A H T <4 S+ 0 0 71 -3,-1.6 -28,-0.4 -4,-0.3 2,-0.3 0.629 125.5 26.8-123.0 -22.3 -38.3 33.7 20.8 55 55 A M S < S- 0 0 0 -4,-2.3 2,-1.0 -30,-0.2 -31,-0.3 -0.867 78.3 -97.4-141.0 168.5 -35.2 35.4 19.6 56 56 A R E - c 0 27A 62 -30,-2.7 -28,-3.0 -2,-0.3 2,-0.4 -0.852 51.7-158.7 -87.6 101.8 -33.7 37.6 16.8 57 57 A V E -Bc 22 28A 0 -35,-2.8 -35,-1.5 -2,-1.0 2,-0.4 -0.771 13.8-177.8 -99.7 133.0 -32.0 34.7 14.9 58 58 A I E -Bc 21 29A 0 -30,-2.6 -28,-2.9 -2,-0.4 2,-0.4 -0.983 10.3-175.2-135.4 120.4 -29.2 35.4 12.5 59 59 A A E -Bc 20 30A 1 -39,-1.7 -39,-2.6 -2,-0.4 2,-0.2 -0.990 13.0-174.0-116.5 129.5 -27.3 33.0 10.2 60 60 A Y E -Bc 19 31A 0 -30,-1.2 -28,-0.6 -2,-0.4 2,-0.5 -0.740 27.1-113.9-117.0 162.6 -24.3 34.4 8.2 61 61 A D - 0 0 1 -43,-2.3 -43,-0.2 -2,-0.2 2,-0.1 -0.859 34.5-126.3 -97.9 127.8 -22.0 32.8 5.6 62 62 A M > - 0 0 0 -2,-0.5 3,-1.7 1,-0.2 6,-0.3 -0.465 42.3 -77.8 -74.4 149.4 -18.4 32.4 6.7 63 63 A V T 3 S+ 0 0 0 1,-0.3 7,-0.2 20,-0.2 -1,-0.2 -0.162 124.0 25.5 -46.2 127.1 -15.6 33.8 4.6 64 64 A G T 3 S+ 0 0 0 5,-1.7 2,-0.3 1,-0.3 -1,-0.3 0.449 113.0 89.8 94.0 3.9 -15.0 31.5 1.6 65 65 A F S X S- 0 0 6 -3,-1.7 3,-1.9 4,-0.4 -1,-0.3 -0.925 83.2 -19.3-134.8 154.2 -18.6 30.2 1.7 66 66 A G T 3 S- 0 0 3 -28,-0.6 116,-0.1 -2,-0.3 -27,-0.1 -0.268 118.3 -27.8 58.9-124.5 -22.1 30.9 0.4 67 67 A Q T 3 S+ 0 0 70 2,-0.1 -1,-0.2 -49,-0.1 2,-0.2 0.045 108.2 107.2-118.7 20.7 -22.6 34.5 -0.8 68 68 A T S < S- 0 0 7 -3,-1.9 -51,-0.2 -6,-0.3 -4,-0.1 -0.631 89.9 -76.7 -90.0 155.2 -20.0 36.1 1.4 69 69 A D - 0 0 60 -53,-2.9 -5,-1.7 -2,-0.2 -4,-0.4 -0.291 38.8-161.8 -51.5 136.8 -16.7 37.2 -0.4 70 70 A A - 0 0 16 -6,-0.2 115,-0.1 -7,-0.2 -1,-0.1 -0.724 21.2-147.3-114.4 73.8 -14.5 34.3 -1.1 71 71 A P - 0 0 39 0, 0.0 5,-0.1 0, 0.0 -56,-0.0 -0.020 31.7 -85.3 -50.1 148.3 -11.2 36.2 -1.6 72 72 A D >> - 0 0 116 1,-0.2 3,-1.8 3,-0.1 4,-1.0 -0.283 32.4-142.0 -55.1 123.4 -8.7 34.7 -4.0 73 73 A P T 34 S+ 0 0 50 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.448 95.4 75.8 -73.3 0.3 -6.7 32.1 -2.2 74 74 A A T 34 S+ 0 0 92 1,-0.1 -2,-0.1 3,-0.1 3,-0.1 0.684 118.4 16.7 -74.9 -23.7 -3.6 33.2 -4.2 75 75 A G T <4 S+ 0 0 80 -3,-1.8 2,-0.4 1,-0.1 -1,-0.1 0.386 119.5 71.1-126.8 1.9 -3.6 36.2 -1.9 76 76 A F < - 0 0 55 -4,-1.0 2,-0.5 -5,-0.1 -1,-0.1 -0.986 66.9-143.8-125.3 129.6 -5.8 35.2 1.1 77 77 A A - 0 0 70 -2,-0.4 2,-1.6 -3,-0.1 5,-0.1 -0.851 10.2-146.2 -98.4 122.9 -4.9 32.5 3.7 78 78 A Y + 0 0 6 -2,-0.5 2,-0.3 -5,-0.1 114,-0.2 -0.626 41.7 151.9 -93.5 74.7 -7.9 30.4 4.8 79 79 A T >> - 0 0 33 -2,-1.6 4,-1.8 1,-0.1 3,-0.7 -0.701 61.1-112.0-103.8 159.2 -6.9 29.9 8.4 80 80 A Q H 3> S+ 0 0 15 -2,-0.3 4,-3.2 1,-0.3 5,-0.2 0.887 119.4 60.8 -54.9 -36.7 -9.0 29.3 11.4 81 81 A A H 3> S+ 0 0 56 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.870 100.9 51.8 -61.9 -36.3 -7.9 32.7 12.5 82 82 A A H <> S+ 0 0 18 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.950 112.2 46.4 -64.5 -47.4 -9.4 34.4 9.4 83 83 A R H X S+ 0 0 1 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.960 113.5 50.0 -55.0 -50.1 -12.8 32.6 10.1 84 84 A T H X S+ 0 0 8 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.871 112.7 44.6 -57.8 -45.5 -12.6 33.6 13.8 85 85 A D H X S+ 0 0 71 -4,-2.7 4,-2.9 -5,-0.2 -1,-0.2 0.846 109.3 57.3 -69.6 -35.4 -11.8 37.3 13.0 86 86 A H H X S+ 0 0 5 -4,-2.5 4,-3.4 -5,-0.2 -2,-0.2 0.959 107.2 48.3 -57.0 -52.0 -14.5 37.4 10.4 87 87 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.916 112.9 47.0 -54.0 -49.2 -17.2 36.3 12.9 88 88 A I H X S+ 0 0 14 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.934 112.9 50.1 -59.5 -46.3 -16.0 38.9 15.5 89 89 A S H X S+ 0 0 13 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.926 112.1 48.5 -52.4 -49.3 -16.0 41.4 12.7 90 90 A F H X S+ 0 0 0 -4,-3.4 4,-1.9 2,-0.2 -2,-0.2 0.940 109.5 49.8 -58.8 -52.3 -19.6 40.4 11.7 91 91 A I H <>S+ 0 0 0 -4,-2.9 5,-2.2 1,-0.2 -1,-0.2 0.878 116.3 44.3 -55.8 -41.1 -21.0 40.5 15.3 92 92 A K H ><5S+ 0 0 120 -4,-2.1 3,-1.6 -5,-0.2 -2,-0.2 0.898 105.6 61.1 -70.6 -41.8 -19.5 44.0 15.7 93 93 A A H 3<5S+ 0 0 38 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.879 107.4 44.4 -53.2 -42.7 -20.7 45.1 12.2 94 94 A L T 3<5S- 0 0 32 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.493 114.3-119.8 -82.1 -1.7 -24.4 44.6 13.2 95 95 A G T < 5 + 0 0 63 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.806 54.3 165.1 71.9 31.2 -23.7 46.2 16.6 96 96 A L < - 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