==== 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 29-JUL-13 4LXH . COMPND 2 MOLECULE: MCP HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOMONAS WITTICHII RW1; . AUTHOR S.BHOWMIK,J.T.BOLIN . 276 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11680.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 68.8 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 . 18 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 2 3 0 0 0 0 2 1 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 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, 0.0 175,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.1 -35.9 27.4 -2.7 2 2 A F > + 0 0 8 1,-0.1 3,-1.6 39,-0.1 40,-0.0 0.658 360.0 141.9 70.1 22.5 -36.3 29.3 0.5 3 3 A E T 3 + 0 0 146 1,-0.3 -1,-0.1 3,-0.1 4,-0.1 0.633 52.5 86.5 -77.0 -4.4 -37.8 32.4 -1.0 4 4 A Q T 3 S+ 0 0 133 2,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.776 86.1 63.6 -58.7 -25.0 -40.0 32.6 2.1 5 5 A F S < S- 0 0 18 -3,-1.6 2,-0.7 15,-0.0 17,-0.1 -0.836 89.6-124.7-102.1 143.1 -37.2 34.5 3.7 6 6 A E - 0 0 146 -2,-0.4 15,-0.4 15,-0.3 2,-0.1 -0.786 22.7-129.3 -82.9 112.9 -36.0 37.8 2.4 7 7 A S - 0 0 42 -2,-0.7 2,-0.3 13,-0.1 13,-0.2 -0.404 31.3-177.1 -54.7 124.4 -32.2 37.9 1.5 8 8 A K E -A 19 0A 61 11,-2.4 11,-2.3 -2,-0.1 2,-0.3 -0.856 9.0-155.4-123.5 162.2 -30.5 40.9 3.1 9 9 A F E +A 18 0A 72 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.980 11.7 176.1-142.7 145.3 -26.9 42.1 2.9 10 10 A I E -A 17 0A 40 7,-1.2 7,-2.9 -2,-0.3 2,-0.6 -0.981 33.9-109.0-149.4 149.3 -24.7 44.1 5.1 11 11 A D E -A 16 0A 99 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.750 25.8-171.9 -86.6 125.1 -21.0 45.1 4.8 12 12 A C E > S-A 15 0A 1 3,-3.2 3,-2.1 -2,-0.6 78,-0.1 -0.875 73.6 -50.1-116.8 93.0 -18.7 43.5 7.3 13 13 A D T 3 S- 0 0 137 -2,-0.6 -1,-0.1 1,-0.3 3,-0.1 0.905 122.4 -35.7 39.0 55.8 -15.3 45.2 6.9 14 14 A G T 3 S+ 0 0 53 1,-0.2 2,-0.7 0, 0.0 -1,-0.3 0.383 116.8 110.8 87.6 -4.8 -15.4 44.7 3.2 15 15 A I E < -A 12 0A 24 -3,-2.1 -3,-3.2 71,-0.1 2,-0.6 -0.935 63.8-141.6-103.5 115.1 -17.1 41.4 3.1 16 16 A R E -A 11 0A 124 -2,-0.7 53,-3.0 -5,-0.2 2,-0.5 -0.723 26.9-157.5 -74.4 121.8 -20.6 41.7 1.7 17 17 A T E -A 10 0A 0 -7,-2.9 -7,-1.2 -2,-0.6 2,-0.3 -0.910 10.7-143.8-120.4 119.8 -22.5 39.3 3.9 18 18 A H E +A 9 0A 2 -2,-0.5 43,-2.3 -9,-0.2 2,-0.3 -0.663 30.4 160.3 -78.0 133.3 -25.8 37.6 3.1 19 19 A Y E -AB 8 60A 17 -11,-2.3 -11,-2.4 -2,-0.3 2,-0.3 -0.990 26.8-151.3-147.8 157.0 -28.3 37.0 6.0 20 20 A I E - B 0 59A 2 39,-2.6 39,-2.6 -2,-0.3 2,-0.3 -0.930 17.2-173.8-120.5 147.7 -32.0 36.3 6.7 21 21 A E E + B 0 58A 47 -15,-0.4 -15,-0.3 -2,-0.3 2,-0.3 -0.953 7.8 175.3-137.4 164.3 -33.9 37.4 9.7 22 22 A M E + B 0 57A 78 35,-1.8 35,-1.9 -2,-0.3 33,-0.0 -0.971 44.1 24.9-161.6 147.1 -37.5 36.8 11.2 23 23 A G - 0 0 29 -2,-0.3 2,-0.3 33,-0.2 33,-0.2 -0.091 68.9 -97.8 88.5 177.4 -39.3 37.7 14.4 24 24 A E + 0 0 173 28,-0.6 2,-0.4 31,-0.2 33,-0.0 -0.945 68.6 41.0-139.0 151.2 -38.8 40.4 17.0 25 25 A G S S+ 0 0 54 -2,-0.3 30,-0.2 30,-0.2 29,-0.0 -0.857 93.1 19.0 117.1-145.5 -37.2 40.8 20.3 26 26 A D S S- 0 0 97 28,-0.4 30,-2.1 -2,-0.4 2,-0.3 -0.342 83.5-107.0 -69.6 142.4 -34.0 39.5 21.7 27 27 A P E -c 56 0A 22 0, 0.0 73,-2.2 0, 0.0 2,-0.5 -0.509 32.3-177.4 -80.6 136.2 -31.4 38.5 19.0 28 28 A L E -cd 57 100A 0 28,-2.6 30,-2.5 -2,-0.3 2,-0.5 -0.991 9.5-160.4-125.6 117.4 -30.4 35.0 18.2 29 29 A V E -cd 58 101A 0 71,-2.8 73,-2.4 -2,-0.5 2,-0.4 -0.908 3.1-158.1 -98.3 130.1 -27.7 34.3 15.6 30 30 A L E -cd 59 102A 0 28,-3.0 30,-1.0 -2,-0.5 2,-0.6 -0.889 2.5-159.2-103.2 132.2 -27.4 30.9 14.0 31 31 A V E -cd 60 103A 0 71,-2.9 73,-2.1 -2,-0.4 76,-0.1 -0.947 14.3-140.9-115.7 113.5 -24.1 29.8 12.4 32 32 A H - 0 0 0 -2,-0.6 8,-0.1 28,-0.5 9,-0.0 -0.074 20.1-102.5 -65.1 166.3 -24.2 27.1 9.8 33 33 A G - 0 0 4 6,-0.2 29,-0.2 73,-0.2 72,-0.1 -0.040 27.9-107.3 -81.0-174.7 -21.8 24.3 9.3 34 34 A G + 0 0 12 3,-0.1 2,-0.1 2,-0.0 3,-0.1 -0.061 62.7 132.5-115.2 33.5 -19.1 23.8 6.8 35 35 A G S > S- 0 0 40 1,-0.1 3,-2.1 4,-0.1 2,-0.4 -0.375 73.9 -76.3 -76.4 163.7 -20.3 21.2 4.4 36 36 A A T 3 S+ 0 0 34 1,-0.3 148,-0.2 -2,-0.1 -1,-0.1 -0.476 120.8 6.3 -66.1 115.0 -20.0 21.7 0.7 37 37 A G T 3 S+ 0 0 11 -2,-0.4 -1,-0.3 1,-0.2 147,-0.1 0.524 93.0 153.9 90.3 10.4 -22.7 24.2 -0.3 38 38 A A < + 0 0 5 -3,-2.1 28,-0.5 146,-0.1 2,-0.3 -0.276 9.6 156.8 -72.0 151.3 -23.9 24.9 3.3 39 39 A D > - 0 0 0 26,-0.1 4,-1.3 1,-0.1 5,-0.2 -0.941 52.3 -88.5-161.9 175.9 -25.6 28.2 4.1 40 40 A G H > S+ 0 0 0 -2,-0.3 4,-2.2 1,-0.2 3,-0.1 0.844 118.1 45.6 -59.2 -51.6 -27.9 29.7 6.7 41 41 A R H > S+ 0 0 34 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.908 113.3 47.9 -74.3 -34.2 -31.2 29.0 5.1 42 42 A S H 4 S+ 0 0 6 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.802 116.5 45.1 -73.0 -22.7 -30.5 25.4 4.2 43 43 A N H < S+ 0 0 5 -4,-1.3 -2,-0.2 -3,-0.1 -1,-0.2 0.818 128.9 22.6 -84.6 -34.3 -29.2 24.6 7.7 44 44 A F H >X S+ 0 0 0 -4,-2.2 4,-1.4 -5,-0.2 3,-1.1 0.380 78.3 113.4-121.4 9.4 -31.9 26.3 9.5 45 45 A A T 3< S+ 0 0 19 -4,-1.8 3,-0.3 1,-0.3 -1,-0.1 0.890 83.1 51.6 -52.4 -46.7 -35.1 26.7 7.4 46 46 A D T 34 S+ 0 0 90 1,-0.2 4,-0.4 -5,-0.2 -1,-0.3 0.786 113.4 43.5 -55.5 -33.6 -37.1 24.3 9.7 47 47 A N T <> S+ 0 0 0 -3,-1.1 4,-2.8 1,-0.2 5,-0.3 0.676 92.3 82.2 -90.9 -24.6 -36.2 26.1 12.9 48 48 A F H X S+ 0 0 0 -4,-1.4 4,-1.8 -3,-0.3 9,-0.2 0.891 91.9 45.9 -52.6 -48.0 -36.7 29.7 11.8 49 49 A P H > S+ 0 0 52 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.869 113.8 50.9 -69.3 -31.6 -40.4 29.9 12.2 50 50 A I H >4 S+ 0 0 45 -4,-0.4 3,-1.2 1,-0.2 4,-0.3 0.988 114.6 41.8 -66.1 -55.3 -40.2 28.3 15.7 51 51 A F H >X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 3,-1.5 0.782 105.4 65.6 -57.3 -34.2 -37.5 30.6 16.9 52 52 A A H 3< S+ 0 0 13 -4,-1.8 -28,-0.6 1,-0.3 -1,-0.2 0.747 88.4 67.4 -71.3 -18.6 -39.2 33.7 15.4 53 53 A R T << S+ 0 0 180 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.729 118.4 21.7 -68.2 -16.1 -42.2 33.4 17.7 54 54 A H T <4 S+ 0 0 73 -3,-1.5 -28,-0.4 -4,-0.3 2,-0.3 0.633 126.5 16.3-125.8 -23.0 -40.0 34.3 20.6 55 55 A M S < S- 0 0 0 -4,-2.2 2,-1.1 -30,-0.2 -30,-0.2 -0.912 78.6 -91.2-144.3 169.8 -37.0 36.1 19.3 56 56 A R E - c 0 27A 61 -30,-2.1 -28,-2.6 -2,-0.3 2,-0.3 -0.796 51.3-162.3 -83.5 99.8 -35.4 38.0 16.5 57 57 A V E -Bc 22 28A 0 -35,-1.9 -35,-1.8 -2,-1.1 2,-0.4 -0.675 10.7-176.7 -92.8 141.3 -33.7 35.1 14.7 58 58 A I E -Bc 21 29A 0 -30,-2.5 -28,-3.0 -2,-0.3 2,-0.4 -0.997 11.2-174.6-142.5 121.6 -30.8 35.6 12.2 59 59 A A E -Bc 20 30A 1 -39,-2.6 -39,-2.6 -2,-0.4 2,-0.3 -0.981 12.7-176.9-120.6 137.0 -28.9 33.3 10.0 60 60 A Y E -Bc 19 31A 0 -30,-1.0 -28,-0.5 -2,-0.4 2,-0.5 -0.807 29.5-111.0-124.8 163.9 -25.9 34.6 7.9 61 61 A D - 0 0 1 -43,-2.3 -43,-0.2 -2,-0.3 3,-0.1 -0.899 34.5-124.7 -99.8 127.9 -23.6 32.9 5.5 62 62 A M > - 0 0 0 -2,-0.5 3,-2.7 -29,-0.2 6,-0.2 -0.390 45.1 -76.1 -65.8 149.3 -20.0 32.6 6.7 63 63 A V T 3 S+ 0 0 0 1,-0.3 7,-0.2 20,-0.1 -1,-0.2 -0.157 125.2 24.6 -45.2 121.4 -17.2 34.0 4.5 64 64 A G T 3 S+ 0 0 1 5,-1.5 2,-0.3 1,-0.3 -1,-0.3 0.399 110.7 86.9 103.7 -9.2 -16.8 31.6 1.6 65 65 A F S X S- 0 0 4 -3,-2.7 3,-1.9 4,-0.2 -1,-0.3 -0.907 84.4 -15.5-122.4 157.0 -20.3 30.2 1.7 66 66 A G T 3 S- 0 0 2 -28,-0.5 -27,-0.1 -2,-0.3 4,-0.1 -0.362 119.0 -28.7 64.6-126.8 -23.7 30.9 0.4 67 67 A Q T 3 S+ 0 0 65 -2,-0.1 -1,-0.2 2,-0.1 2,-0.2 -0.003 106.7 111.5-115.7 16.6 -24.2 34.4 -1.0 68 68 A T S < S- 0 0 3 -3,-1.9 -51,-0.2 -6,-0.2 -6,-0.1 -0.646 87.4 -79.9 -83.3 153.6 -21.7 35.9 1.2 69 69 A D - 0 0 60 -53,-3.0 -5,-1.5 -2,-0.2 -4,-0.2 -0.355 37.2-157.9 -47.6 126.7 -18.5 37.2 -0.6 70 70 A A - 0 0 22 -7,-0.2 122,-0.1 -6,-0.2 -1,-0.1 -0.729 17.2-146.6-104.3 81.1 -16.1 34.4 -1.3 71 71 A P - 0 0 35 0, 0.0 5,-0.1 0, 0.0 -56,-0.0 -0.058 34.3 -91.9 -43.0 133.8 -12.7 36.4 -1.6 72 72 A D >> - 0 0 114 1,-0.2 3,-1.5 3,-0.1 4,-0.6 -0.365 30.5-139.8 -50.2 129.0 -10.4 34.8 -4.2 73 73 A P T 34 S+ 0 0 47 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.374 97.3 76.6 -80.7 -1.2 -8.2 32.3 -2.2 74 74 A A T 34 S+ 0 0 92 1,-0.1 -2,-0.1 3,-0.1 3,-0.1 0.630 117.2 20.0 -69.2 -23.9 -5.2 33.4 -4.4 75 75 A G T <4 S+ 0 0 75 -3,-1.5 2,-0.4 1,-0.1 -1,-0.1 0.446 119.4 64.2-123.8 -2.3 -5.4 36.4 -2.2 76 76 A F < - 0 0 58 -4,-0.6 2,-0.6 -5,-0.1 -1,-0.1 -0.978 67.3-136.6-134.3 130.3 -7.4 35.5 1.0 77 77 A A - 0 0 69 -2,-0.4 2,-1.7 -3,-0.1 5,-0.1 -0.810 11.9-150.2 -88.6 115.7 -6.5 33.0 3.7 78 78 A Y + 0 0 7 -2,-0.6 121,-0.2 -5,-0.1 2,-0.2 -0.562 43.8 148.0 -85.2 67.1 -9.6 30.8 4.7 79 79 A T >> - 0 0 32 -2,-1.7 4,-1.7 1,-0.1 3,-0.5 -0.565 63.0-108.4 -95.7 169.6 -8.5 30.3 8.3 80 80 A Q H 3> S+ 0 0 15 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.902 120.9 59.0 -70.0 -33.7 -10.6 29.9 11.4 81 81 A A H 3> S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.829 100.7 56.1 -63.4 -31.0 -9.5 33.2 12.5 82 82 A A H <> S+ 0 0 18 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.949 109.7 45.1 -65.8 -46.2 -11.0 34.6 9.3 83 83 A R H X S+ 0 0 2 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.930 112.7 51.2 -63.4 -39.6 -14.4 33.1 10.1 84 84 A T H X S+ 0 0 10 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.920 110.9 46.3 -64.9 -45.4 -14.3 34.3 13.7 85 85 A D H X S+ 0 0 66 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.863 110.2 54.3 -68.4 -34.5 -13.5 37.8 12.9 86 86 A H H X S+ 0 0 6 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.966 108.7 49.0 -60.4 -48.2 -16.2 37.9 10.2 87 87 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.906 111.8 48.8 -56.8 -45.1 -18.8 36.8 12.8 88 88 A I H X S+ 0 0 14 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.871 112.2 48.7 -61.6 -38.7 -17.6 39.4 15.1 89 89 A S H X S+ 0 0 12 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.899 110.8 51.3 -68.8 -38.1 -17.8 42.0 12.3 90 90 A F H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.951 109.4 49.5 -64.2 -49.9 -21.3 40.8 11.4 91 91 A I H <>S+ 0 0 0 -4,-2.6 5,-1.1 1,-0.2 -1,-0.2 0.874 115.1 43.7 -54.5 -45.6 -22.6 41.1 14.9 92 92 A K H ><5S+ 0 0 125 -4,-1.7 3,-1.3 -5,-0.2 -1,-0.2 0.878 107.3 60.2 -73.1 -36.0 -21.2 44.6 15.3 93 93 A A H 3<5S+ 0 0 40 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.943 107.0 46.2 -56.3 -46.1 -22.5 45.5 11.8 94 94 A L T 3<5S- 0 0 31 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.522 112.5-123.8 -76.5 -1.0 -26.1 44.8 12.9 95 95 A G T < 5 + 0 0 64 -3,-1.3 -3,-0.2 -5,-0.2 -2,-0.1 0.492 60.6 145.1 75.8 3.6 -25.5 46.7 16.1 96 96 A L < + 0 0 16 -5,-1.1 2,-0.3 2,-0.0 -1,-0.2 -0.242 22.1 174.8 -71.2 161.3 -26.4 43.8 18.3 97 97 A S + 0 0 68 1,-0.2 24,-0.2 -5,-0.0 25,-0.1 -0.978 58.0 33.2-157.9 167.8 -25.0 42.8 21.6 98 98 A K S S+ 0 0 133 22,-0.6 24,-0.3 -2,-0.3 -1,-0.2 0.983 83.4 172.7 53.2 57.4 -25.7 40.3 24.3 99 99 A I E - 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