==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-JUL-13 4LYE . COMPND 2 MOLECULE: MCP HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOMONAS WITTICHII; . AUTHOR S.GHOSH,J.T.BOLIN . 276 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11208.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 5.1 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 . 20 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 34.1 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 1 0 1 0 1 3 1 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 2 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 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 75 0, 0.0 41,-0.1 0, 0.0 40,-0.1 0.000 360.0 360.0 360.0 156.7 -36.3 27.5 -2.6 2 2 A F > + 0 0 7 1,-0.1 3,-1.7 39,-0.1 39,-0.0 0.569 360.0 137.4 71.2 17.7 -36.5 29.3 0.7 3 3 A E T 3 + 0 0 135 1,-0.3 -1,-0.1 3,-0.1 4,-0.1 0.590 49.7 87.3 -74.0 -7.1 -38.0 32.4 -0.8 4 4 A Q T 3 S+ 0 0 126 2,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.678 85.5 65.7 -61.6 -17.6 -40.5 32.6 2.1 5 5 A F S < S- 0 0 14 -3,-1.7 2,-0.7 17,-0.0 17,-0.1 -0.857 93.5-117.8-103.6 147.7 -37.7 34.5 3.8 6 6 A E - 0 0 148 15,-0.4 15,-0.4 -2,-0.4 2,-0.2 -0.740 25.2-133.6 -85.5 115.7 -36.6 37.9 2.6 7 7 A S + 0 0 42 -2,-0.7 2,-0.3 13,-0.1 13,-0.2 -0.467 31.1 178.7 -60.8 131.7 -32.9 37.9 1.5 8 8 A K E -A 19 0A 65 11,-2.0 11,-2.0 -2,-0.2 2,-0.3 -0.864 11.1-154.4-133.5 165.8 -31.1 40.9 3.0 9 9 A F E +A 18 0A 69 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.997 11.8 175.8-147.2 144.7 -27.5 42.0 2.7 10 10 A I E -A 17 0A 41 7,-1.8 7,-2.8 -2,-0.3 2,-0.6 -0.994 33.1-108.3-153.0 149.5 -25.1 44.1 4.7 11 11 A D E -A 16 0A 101 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.713 25.3-172.8 -86.2 123.6 -21.4 45.0 4.5 12 12 A C E > S-A 15 0A 2 3,-3.5 3,-2.5 -2,-0.6 78,-0.1 -0.905 75.4 -46.6-117.7 97.8 -19.1 43.4 7.0 13 13 A D T 3 S- 0 0 145 -2,-0.6 -1,-0.1 1,-0.3 3,-0.1 0.885 123.2 -37.9 32.4 59.9 -15.7 45.0 6.7 14 14 A G T 3 S+ 0 0 52 1,-0.2 2,-0.6 0, 0.0 -1,-0.3 0.342 117.1 114.2 82.6 -7.1 -15.8 44.7 2.9 15 15 A I E < -A 12 0A 24 -3,-2.5 -3,-3.5 71,-0.1 2,-0.6 -0.881 63.5-140.0 -97.2 121.7 -17.5 41.3 3.0 16 16 A R E -A 11 0A 123 -2,-0.6 53,-3.0 -5,-0.2 2,-0.5 -0.752 25.8-159.3 -85.4 120.9 -21.0 41.5 1.5 17 17 A T E -A 10 0A 0 -7,-2.8 -7,-1.8 -2,-0.6 2,-0.3 -0.905 11.9-148.7-119.6 118.4 -23.1 39.2 3.8 18 18 A H E +A 9 0A 0 -2,-0.5 43,-2.5 -9,-0.2 2,-0.3 -0.600 28.7 158.6 -75.2 138.3 -26.4 37.6 3.1 19 19 A Y E -AB 8 60A 15 -11,-2.0 -11,-2.0 -2,-0.3 2,-0.3 -0.984 26.7-148.4-153.0 161.2 -28.8 37.0 5.9 20 20 A I E - B 0 59A 0 39,-2.1 39,-1.8 -2,-0.3 2,-0.3 -0.897 17.2-174.3-122.4 157.9 -32.5 36.4 6.7 21 21 A E E + B 0 58A 42 -15,-0.4 -15,-0.4 -2,-0.3 2,-0.3 -0.991 8.2 172.9-152.1 161.6 -34.5 37.5 9.7 22 22 A M E + B 0 57A 76 35,-1.8 35,-2.3 -2,-0.3 -2,-0.0 -0.978 42.3 22.9-164.2 151.3 -38.0 37.1 11.2 23 23 A G - 0 0 32 -2,-0.3 2,-0.3 33,-0.2 33,-0.2 -0.027 68.5 -93.8 78.5-178.8 -39.9 37.9 14.4 24 24 A E + 0 0 170 28,-0.7 2,-0.3 31,-0.2 33,-0.0 -0.924 68.7 50.4-138.0 158.1 -39.3 40.5 17.1 25 25 A G S S+ 0 0 57 -2,-0.3 30,-0.2 30,-0.2 29,-0.0 -0.885 92.7 8.8 116.2-149.1 -37.7 40.8 20.5 26 26 A D S S- 0 0 87 28,-0.4 30,-2.5 -2,-0.3 2,-0.2 -0.325 84.1-100.5 -71.9 150.3 -34.2 39.9 21.6 27 27 A P E -c 56 0A 18 0, 0.0 73,-1.8 0, 0.0 2,-0.4 -0.528 35.4-176.7 -79.3 139.9 -31.7 38.9 18.9 28 28 A L E -cd 57 100A 0 28,-2.5 30,-2.4 -2,-0.2 2,-0.5 -0.983 8.4-161.8-132.3 119.7 -30.9 35.3 18.2 29 29 A V E -cd 58 101A 0 71,-2.7 73,-2.4 -2,-0.4 2,-0.4 -0.893 1.8-159.1-108.9 128.8 -28.2 34.5 15.6 30 30 A L E -cd 59 102A 0 28,-3.4 30,-1.1 -2,-0.5 2,-0.6 -0.906 1.1-158.1-107.7 134.3 -27.9 31.1 14.0 31 31 A V E -cd 60 103A 0 71,-3.4 73,-2.6 -2,-0.4 76,-0.1 -0.939 18.1-138.1-116.1 116.4 -24.7 29.9 12.3 32 32 A H - 0 0 0 28,-0.6 8,-0.1 -2,-0.6 9,-0.0 -0.110 24.6 -85.3 -71.8 166.8 -25.0 27.1 9.8 33 33 A G - 0 0 6 6,-0.2 72,-0.1 73,-0.2 -1,-0.1 -0.074 29.9-126.5 -63.5 163.6 -22.9 24.0 9.1 34 34 A G + 0 0 8 70,-0.1 3,-0.1 3,-0.0 -1,-0.1 0.305 65.5 116.3-105.4 8.2 -19.8 24.0 7.0 35 35 A G S > S- 0 0 9 1,-0.2 3,-1.8 2,-0.1 2,-0.2 -0.203 80.1 -65.4 -72.7 171.4 -20.6 21.2 4.5 36 36 A A T 3 S+ 0 0 1 1,-0.3 148,-0.2 113,-0.1 -1,-0.2 -0.344 119.0 6.9 -69.5 126.6 -21.0 21.7 0.8 37 37 A G T 3 S+ 0 0 8 1,-0.3 -1,-0.3 146,-0.2 5,-0.1 0.345 91.8 144.9 91.5 -5.2 -24.0 23.8 -0.2 38 38 A A < + 0 0 0 -3,-1.8 28,-0.5 4,-0.1 -1,-0.3 -0.296 14.4 153.9 -70.7 147.7 -24.9 24.8 3.3 39 39 A D > - 0 0 0 1,-0.1 4,-1.6 26,-0.1 -6,-0.2 -0.938 55.0 -91.7-155.7 177.6 -26.3 28.1 4.2 40 40 A G H > S+ 0 0 0 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.960 118.3 50.9 -58.4 -55.1 -28.6 29.8 6.8 41 41 A R H > S+ 0 0 26 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.897 114.3 41.5 -47.0 -57.2 -31.9 29.4 4.9 42 42 A S H 4 S+ 0 0 10 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.793 117.0 47.6 -71.2 -30.3 -31.5 25.7 4.3 43 43 A N H < S+ 0 0 2 -4,-1.6 3,-0.2 -3,-0.2 -1,-0.2 0.905 126.3 24.4 -72.9 -44.3 -30.1 24.8 7.7 44 44 A F H >X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 3,-0.6 0.223 82.0 110.7-114.9 13.9 -32.7 26.6 9.8 45 45 A A T 3< S+ 0 0 19 -4,-1.1 -1,-0.1 1,-0.2 -3,-0.1 0.877 85.2 48.2 -57.8 -40.6 -35.8 27.0 7.6 46 46 A D T 34 S+ 0 0 93 1,-0.2 4,-0.3 -4,-0.2 -1,-0.2 0.724 116.5 42.4 -75.9 -23.4 -37.8 24.5 9.9 47 47 A N T <> S+ 0 0 0 -3,-0.6 4,-2.5 2,-0.1 5,-0.3 0.708 95.0 79.9 -92.3 -25.1 -36.7 26.3 13.1 48 48 A F H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.896 91.9 47.1 -55.5 -49.9 -37.1 29.9 12.0 49 49 A P H > S+ 0 0 57 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.908 114.0 49.1 -60.8 -38.8 -41.0 30.2 12.4 50 50 A I H >4 S+ 0 0 33 -4,-0.3 3,-0.5 1,-0.2 4,-0.2 0.934 114.5 43.5 -67.5 -44.7 -40.8 28.6 15.9 51 51 A F H >X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 3,-1.7 0.834 106.7 63.2 -65.4 -36.0 -38.0 30.9 17.0 52 52 A A H 3< S+ 0 0 16 -4,-2.5 -28,-0.7 1,-0.3 -1,-0.2 0.778 88.8 68.2 -63.6 -26.8 -39.7 33.9 15.4 53 53 A R T << S+ 0 0 176 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.663 120.3 17.2 -65.2 -14.1 -42.7 33.6 17.7 54 54 A H T <4 S+ 0 0 73 -3,-1.7 -28,-0.4 1,-0.2 2,-0.3 0.538 126.0 27.9-132.4 -21.5 -40.5 34.6 20.7 55 55 A M S < S- 0 0 0 -4,-2.3 2,-1.1 -30,-0.2 -1,-0.2 -0.919 78.0-100.7-140.4 165.1 -37.3 36.2 19.4 56 56 A R E - c 0 27A 63 -30,-2.5 -28,-2.5 -2,-0.3 2,-0.3 -0.822 51.9-160.8 -85.0 101.7 -35.8 38.2 16.5 57 57 A V E -Bc 22 28A 0 -35,-2.3 -35,-1.8 -2,-1.1 2,-0.4 -0.681 12.2-174.9 -97.0 144.6 -34.1 35.3 14.8 58 58 A I E -Bc 21 29A 0 -30,-2.4 -28,-3.4 -2,-0.3 2,-0.5 -0.999 11.7-173.2-144.3 126.6 -31.3 35.8 12.3 59 59 A A E -Bc 20 30A 1 -39,-1.8 -39,-2.1 -2,-0.4 2,-0.2 -0.986 13.6-172.6-124.4 119.7 -29.4 33.3 10.1 60 60 A Y E -Bc 19 31A 0 -30,-1.1 -28,-0.6 -2,-0.5 2,-0.5 -0.705 26.4-114.9-108.6 158.5 -26.4 34.6 8.1 61 61 A D - 0 0 1 -43,-2.5 -43,-0.2 -2,-0.2 3,-0.1 -0.837 34.5-124.6 -92.0 126.4 -24.3 33.0 5.4 62 62 A M > - 0 0 0 -2,-0.5 3,-2.5 1,-0.1 6,-0.3 -0.360 41.3 -81.0 -67.9 150.2 -20.6 32.4 6.5 63 63 A V T 3 S+ 0 0 0 1,-0.3 7,-0.2 20,-0.1 -1,-0.1 -0.291 124.1 25.7 -50.6 127.4 -17.9 33.9 4.3 64 64 A G T 3 S+ 0 0 2 5,-1.8 2,-0.3 1,-0.3 -1,-0.3 0.351 112.5 93.4 95.4 -3.7 -17.3 31.4 1.5 65 65 A F S X S- 0 0 6 -3,-2.5 3,-1.9 4,-0.3 -1,-0.3 -0.892 82.6 -26.3-125.9 152.0 -20.9 30.1 1.8 66 66 A G T 3 S- 0 0 3 -28,-0.5 -27,-0.1 -2,-0.3 123,-0.1 -0.239 118.5 -23.4 61.6-125.2 -24.3 30.7 0.3 67 67 A Q T 3 S+ 0 0 71 2,-0.1 -1,-0.3 -49,-0.1 2,-0.2 0.285 109.5 106.1-109.5 5.3 -25.0 34.1 -1.0 68 68 A T S < S- 0 0 6 -3,-1.9 -51,-0.2 -6,-0.3 -6,-0.1 -0.515 89.1 -79.5 -77.4 155.0 -22.3 35.8 1.1 69 69 A D - 0 0 63 -53,-3.0 -5,-1.8 -2,-0.2 -4,-0.3 -0.309 36.1-158.0 -53.4 140.2 -19.1 36.9 -0.8 70 70 A A - 0 0 13 -7,-0.2 122,-0.1 -6,-0.2 -1,-0.1 -0.755 18.4-148.1-118.2 79.2 -16.7 34.1 -1.5 71 71 A P - 0 0 36 0, 0.0 5,-0.1 0, 0.0 -56,-0.0 -0.125 33.7 -88.5 -55.1 141.3 -13.4 36.0 -2.0 72 72 A D >> - 0 0 112 1,-0.2 3,-1.6 3,-0.1 4,-1.2 -0.237 31.2-142.2 -49.8 122.0 -11.0 34.4 -4.4 73 73 A P T 34 S+ 0 0 46 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.498 95.6 78.0 -71.9 -1.3 -8.9 31.9 -2.4 74 74 A A T 34 S+ 0 0 93 1,-0.1 -2,-0.1 3,-0.1 3,-0.1 0.824 117.5 15.7 -62.6 -31.6 -5.9 33.0 -4.6 75 75 A G T <4 S+ 0 0 78 -3,-1.6 2,-0.4 1,-0.1 -1,-0.1 0.451 121.3 66.4-122.3 -4.7 -5.9 36.0 -2.3 76 76 A F < - 0 0 55 -4,-1.2 2,-0.5 -5,-0.1 -1,-0.1 -0.982 68.5-141.5-125.9 125.8 -8.0 35.2 0.7 77 77 A A - 0 0 69 -2,-0.4 2,-1.6 -3,-0.1 5,-0.1 -0.773 11.8-141.7 -87.6 127.4 -7.1 32.5 3.3 78 78 A Y + 0 0 6 -2,-0.5 2,-0.2 -5,-0.1 121,-0.1 -0.585 44.3 151.5 -91.1 76.1 -10.1 30.5 4.6 79 79 A T >> - 0 0 35 -2,-1.6 4,-1.9 1,-0.1 3,-0.8 -0.652 60.4-112.1-103.4 163.4 -9.1 30.2 8.2 80 80 A Q H 3> S+ 0 0 16 1,-0.3 4,-3.4 -2,-0.2 5,-0.2 0.933 118.4 58.2 -57.8 -43.3 -11.2 29.8 11.3 81 81 A A H 3> S+ 0 0 54 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.785 102.4 54.3 -59.6 -28.3 -10.1 33.3 12.4 82 82 A A H <> S+ 0 0 19 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.930 111.7 43.4 -72.7 -46.0 -11.6 34.7 9.1 83 83 A R H X S+ 0 0 1 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.978 115.7 49.8 -56.4 -53.3 -15.0 33.1 9.9 84 84 A T H X S+ 0 0 5 -4,-3.4 4,-2.2 1,-0.2 -2,-0.2 0.917 113.1 44.8 -53.8 -49.0 -14.7 34.2 13.5 85 85 A D H X S+ 0 0 71 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.887 110.4 55.9 -66.8 -37.4 -13.9 37.7 12.5 86 86 A H H X S+ 0 0 6 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.946 108.7 47.4 -55.5 -46.7 -16.6 37.7 9.9 87 87 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.907 111.0 50.0 -63.9 -44.8 -19.2 36.8 12.5 88 88 A I H X S+ 0 0 15 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.912 111.9 49.2 -60.1 -41.5 -18.0 39.4 14.9 89 89 A S H X S+ 0 0 12 -4,-2.5 4,-3.5 1,-0.2 -2,-0.2 0.925 108.8 53.2 -63.0 -45.6 -18.2 42.0 12.1 90 90 A F H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.891 106.9 51.4 -53.9 -42.5 -21.7 40.9 11.2 91 91 A I H <>S+ 0 0 0 -4,-2.0 5,-1.9 1,-0.2 -1,-0.2 0.908 114.7 43.0 -67.7 -39.6 -23.0 41.3 14.7 92 92 A K H ><5S+ 0 0 120 -4,-1.7 3,-2.0 2,-0.2 -2,-0.2 0.917 107.1 59.2 -71.5 -45.4 -21.6 44.8 14.9 93 93 A A H 3<5S+ 0 0 43 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.906 108.1 47.9 -50.2 -41.9 -22.8 45.8 11.5 94 94 A L T 3<5S- 0 0 30 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.537 109.5-124.1 -78.7 -5.5 -26.3 45.0 12.6 95 95 A G T < 5 + 0 0 66 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.704 56.9 155.1 69.3 23.0 -26.0 47.0 15.9 96 96 A L < - 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