==== 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 4LXG . COMPND 2 MOLECULE: MCP HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOMONAS WITTICHII RW1; . AUTHOR S.BHOWMIK,J.T.BOLIN . 274 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11532.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 68.2 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 . 14 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 32.5 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 3 3 0 0 0 0 2 2 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 85 0, 0.0 174,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.3 -33.8 28.1 -3.3 2 2 A F > + 0 0 8 1,-0.1 3,-1.8 39,-0.1 39,-0.0 0.650 360.0 144.8 66.8 20.9 -34.1 29.6 0.2 3 3 A E T 3 + 0 0 146 1,-0.3 -1,-0.1 3,-0.0 4,-0.1 0.531 52.1 83.3 -69.8 -3.1 -35.7 32.8 -1.1 4 4 A Q T 3 S+ 0 0 137 2,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.728 86.5 67.8 -69.0 -18.8 -37.9 33.0 2.0 5 5 A F S < S- 0 0 18 -3,-1.8 2,-0.5 15,-0.0 17,-0.1 -0.839 88.2-126.1-101.9 136.1 -34.9 34.7 3.6 6 6 A E - 0 0 132 -2,-0.4 2,-0.4 15,-0.3 15,-0.4 -0.722 24.4-127.9 -79.5 122.8 -33.6 38.1 2.5 7 7 A S - 0 0 46 -2,-0.5 2,-0.3 13,-0.1 13,-0.2 -0.595 32.7-173.3 -69.5 123.8 -29.9 38.1 1.6 8 8 A K E -A 19 0A 58 11,-2.5 11,-2.4 -2,-0.4 2,-0.4 -0.845 8.8-159.1-119.0 159.2 -28.1 40.8 3.5 9 9 A F E +A 18 0A 70 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.992 10.8 174.4-139.8 141.8 -24.5 42.0 3.2 10 10 A I E -A 17 0A 43 7,-1.5 7,-2.6 -2,-0.4 2,-0.4 -0.984 34.5-112.4-147.5 140.2 -22.2 44.0 5.6 11 11 A D E -A 16 0A 98 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.599 26.9-171.0 -73.3 125.8 -18.6 44.9 5.4 12 12 A C E > S-A 15 0A 1 3,-2.2 3,-1.4 -2,-0.4 78,-0.1 -0.833 72.2 -46.8-119.3 90.1 -16.4 43.1 8.0 13 13 A D T 3 S- 0 0 135 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.903 124.0 -35.4 48.0 50.2 -13.0 44.7 7.9 14 14 A G T 3 S+ 0 0 51 1,-0.2 2,-0.8 0, 0.0 -1,-0.3 0.293 119.0 109.4 92.7 -10.0 -12.8 44.6 4.1 15 15 A I E < -A 12 0A 27 -3,-1.4 -3,-2.2 71,-0.1 2,-0.5 -0.874 64.8-142.1-103.7 105.1 -14.7 41.3 3.8 16 16 A R E -A 11 0A 122 -2,-0.8 53,-3.0 -5,-0.2 2,-0.5 -0.559 27.4-156.1 -63.0 118.2 -18.2 41.7 2.3 17 17 A T E -A 10 0A 0 -7,-2.6 -7,-1.5 -2,-0.5 2,-0.3 -0.894 9.7-143.8-115.9 122.9 -20.2 39.2 4.4 18 18 A H E +A 9 0A 2 -2,-0.5 43,-2.3 43,-0.2 2,-0.3 -0.633 29.9 161.9 -80.3 135.8 -23.4 37.5 3.4 19 19 A Y E -AB 8 60A 20 -11,-2.4 -11,-2.5 -2,-0.3 2,-0.3 -0.991 25.5-154.5-149.3 154.5 -26.0 36.9 6.2 20 20 A I E - B 0 59A 1 39,-2.7 39,-2.5 -2,-0.3 2,-0.3 -0.930 18.1-177.4-121.1 152.8 -29.7 36.1 6.6 21 21 A E E + B 0 58A 39 -15,-0.4 -15,-0.3 -2,-0.3 2,-0.3 -0.993 9.4 178.5-150.3 156.2 -31.8 36.8 9.7 22 22 A M E + B 0 57A 73 35,-1.8 35,-2.6 -2,-0.3 33,-0.1 -0.980 45.8 23.7-155.1 151.6 -35.3 36.4 11.1 23 23 A G - 0 0 38 -2,-0.3 2,-0.3 33,-0.2 33,-0.2 -0.099 67.7-102.4 82.5 179.3 -37.1 37.2 14.3 24 24 A E + 0 0 161 28,-0.6 2,-0.3 31,-0.3 33,-0.0 -0.887 67.2 49.3-138.3 168.4 -36.6 39.8 17.1 25 25 A G S S+ 0 0 57 -2,-0.3 30,-0.2 30,-0.2 29,-0.0 -0.763 94.4 17.8 104.4-150.3 -35.2 40.0 20.6 26 26 A D S S- 0 0 88 28,-0.4 30,-2.3 -2,-0.3 2,-0.2 -0.262 85.7-106.5 -60.6 140.5 -31.8 38.7 21.9 27 27 A P E -c 56 0A 21 0, 0.0 73,-2.1 0, 0.0 2,-0.4 -0.469 32.8-175.5 -76.6 138.6 -29.3 37.9 19.2 28 28 A L E -cd 57 100A 0 28,-2.7 30,-3.3 71,-0.2 2,-0.4 -0.994 7.4-162.6-129.6 123.1 -28.4 34.3 18.2 29 29 A V E -cd 58 101A 0 71,-2.7 73,-2.3 -2,-0.4 2,-0.5 -0.905 2.6-157.6-110.7 134.6 -25.6 33.7 15.6 30 30 A L E -cd 59 102A 0 28,-3.0 30,-1.0 -2,-0.4 2,-0.5 -0.949 2.2-157.4-116.2 129.6 -25.3 30.4 13.8 31 31 A V E -cd 60 103A 0 71,-3.4 73,-2.4 -2,-0.5 76,-0.2 -0.936 15.3-139.7-112.8 118.7 -21.9 29.3 12.3 32 32 A H - 0 0 0 28,-0.6 8,-0.1 -2,-0.5 6,-0.0 -0.111 22.9 -95.0 -72.8 169.0 -22.0 26.7 9.5 33 33 A G - 0 0 6 6,-0.2 72,-0.1 73,-0.2 -1,-0.1 -0.017 28.0-110.6 -77.3-176.6 -19.7 23.8 8.9 34 34 A G + 0 0 7 3,-0.0 3,-0.1 2,-0.0 -1,-0.1 0.289 68.4 127.0-104.7 7.9 -16.6 23.4 6.7 35 35 A G S > S- 0 0 39 1,-0.2 3,-1.8 2,-0.1 2,-0.4 -0.055 75.3 -74.8 -61.7 164.9 -17.9 21.1 4.0 36 36 A A T 3 S+ 0 0 26 1,-0.3 147,-0.3 29,-0.1 -1,-0.2 -0.506 119.7 0.8 -69.0 120.5 -17.7 21.8 0.3 37 37 A G T 3 S+ 0 0 9 -2,-0.4 -1,-0.3 145,-0.3 5,-0.1 0.512 93.4 157.2 76.0 7.3 -20.3 24.5 -0.6 38 38 A A < + 0 0 6 -3,-1.8 28,-0.6 145,-0.1 2,-0.3 -0.272 10.2 157.4 -57.8 147.9 -21.5 24.7 3.0 39 39 A D > - 0 0 0 26,-0.1 4,-1.5 1,-0.1 -6,-0.2 -0.954 52.7 -85.2-161.6 176.7 -23.2 28.0 4.0 40 40 A G H > S+ 0 0 1 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.936 120.6 41.5 -57.2 -53.5 -25.6 29.6 6.5 41 41 A R H > S+ 0 0 35 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.900 112.8 51.7 -68.5 -40.8 -28.9 28.7 4.9 42 42 A S H 4 S+ 0 0 11 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.819 118.3 40.6 -65.8 -28.7 -28.0 25.1 3.8 43 43 A N H < S+ 0 0 6 -4,-1.5 -2,-0.2 -3,-0.1 -1,-0.2 0.845 133.6 15.5 -81.3 -36.4 -26.9 24.4 7.4 44 44 A F H >X S+ 0 0 0 -4,-2.2 3,-1.9 -5,-0.2 4,-1.2 0.475 82.5 108.8-126.8 -6.6 -29.7 26.2 9.3 45 45 A A G >< S+ 0 0 14 -4,-2.7 3,-0.9 1,-0.3 -3,-0.1 0.865 84.7 53.9 -40.5 -49.4 -32.7 27.0 7.1 46 46 A D G 34 S+ 0 0 98 -5,-0.3 4,-0.3 1,-0.2 -1,-0.3 0.746 109.4 46.7 -63.3 -26.8 -34.8 24.4 8.9 47 47 A N G <> S+ 0 0 0 -3,-1.9 4,-2.5 1,-0.1 -1,-0.2 0.657 90.1 86.9 -89.1 -18.3 -34.1 25.8 12.4 48 48 A F H S+ 0 0 56 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.874 114.2 45.2 -59.3 -40.4 -38.6 29.5 12.1 50 50 A I H >4 S+ 0 0 24 -4,-0.3 3,-0.9 -3,-0.2 4,-0.3 0.958 116.5 45.6 -68.0 -48.5 -38.4 27.9 15.5 51 51 A F H >X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 3,-2.0 0.895 107.4 58.7 -57.0 -44.9 -35.5 30.1 16.6 52 52 A A H 3< S+ 0 0 16 -4,-2.9 -28,-0.6 1,-0.3 -1,-0.2 0.651 92.0 68.6 -65.4 -18.5 -37.1 33.2 15.3 53 53 A R T << S+ 0 0 177 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.727 119.4 19.4 -66.2 -20.2 -40.2 32.7 17.5 54 54 A H T <4 S+ 0 0 68 -3,-2.0 -28,-0.4 -4,-0.3 2,-0.3 0.653 128.0 15.6-123.5 -28.3 -37.9 33.5 20.5 55 55 A M S < S- 0 0 0 -4,-2.3 2,-0.9 -30,-0.2 -31,-0.3 -0.857 78.7 -91.7-144.6 169.5 -34.8 35.4 19.3 56 56 A R E - c 0 27A 57 -30,-2.3 -28,-2.7 -2,-0.3 2,-0.5 -0.858 51.3-158.3 -87.0 105.0 -33.2 37.3 16.5 57 57 A V E -Bc 22 28A 0 -35,-2.6 -35,-1.8 -2,-0.9 2,-0.4 -0.781 12.1-174.9 -99.6 130.9 -31.5 34.5 14.6 58 58 A I E -Bc 21 29A 0 -30,-3.3 -28,-3.0 -2,-0.5 2,-0.4 -0.971 10.9-176.6-129.4 129.0 -28.6 35.2 12.3 59 59 A A E -Bc 20 30A 0 -39,-2.5 -39,-2.7 -2,-0.4 2,-0.3 -0.999 12.5-178.7-126.0 129.7 -26.6 32.9 10.0 60 60 A Y E -Bc 19 31A 0 -30,-1.0 -28,-0.6 -2,-0.4 2,-0.5 -0.768 29.6-110.4-120.1 165.5 -23.7 34.2 8.1 61 61 A D - 0 0 1 -43,-2.3 -43,-0.2 -2,-0.3 3,-0.1 -0.883 34.0-126.1 -99.3 125.4 -21.2 32.8 5.6 62 62 A M > - 0 0 0 -2,-0.5 3,-1.6 1,-0.1 6,-0.3 -0.231 44.2 -77.8 -59.7 154.1 -17.6 32.3 6.8 63 63 A V T 3 S+ 0 0 2 1,-0.3 7,-0.2 19,-0.1 -1,-0.1 -0.338 125.2 27.0 -53.8 132.9 -14.8 33.9 4.8 64 64 A G T 3 S+ 0 0 0 5,-1.2 2,-0.3 1,-0.2 -1,-0.3 0.574 112.0 91.8 85.4 11.4 -14.2 31.6 1.8 65 65 A F S X S- 0 0 4 -3,-1.6 3,-1.8 4,-0.3 -1,-0.2 -0.969 82.2 -24.0-140.1 151.5 -17.8 30.3 1.8 66 66 A G T 3 S- 0 0 2 -28,-0.6 -27,-0.1 -2,-0.3 122,-0.1 -0.222 117.6 -25.3 57.7-126.5 -21.3 30.9 0.4 67 67 A Q T 3 S+ 0 0 64 2,-0.1 -1,-0.2 -49,-0.1 2,-0.1 0.240 107.0 110.5-109.0 10.4 -21.8 34.5 -0.8 68 68 A T S < S- 0 0 4 -3,-1.8 -51,-0.2 -6,-0.3 -6,-0.1 -0.515 87.0 -80.2 -77.4 152.0 -19.3 36.1 1.5 69 69 A D - 0 0 61 -53,-3.0 -5,-1.2 -2,-0.1 -4,-0.3 -0.337 40.3-161.3 -45.4 126.0 -16.1 37.5 -0.1 70 70 A A - 0 0 22 -7,-0.2 121,-0.1 -6,-0.2 -1,-0.1 -0.810 15.2-146.6-114.0 87.1 -13.6 34.8 -0.8 71 71 A P - 0 0 37 0, 0.0 5,-0.1 0, 0.0 -56,-0.0 -0.256 35.2 -88.4 -55.9 138.9 -10.3 36.6 -1.2 72 72 A D >> - 0 0 112 1,-0.2 3,-2.8 3,-0.1 4,-1.1 -0.253 29.7-138.5 -52.6 120.6 -8.1 35.0 -3.8 73 73 A P T 34 S+ 0 0 44 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.422 99.1 77.1 -67.9 5.0 -5.9 32.4 -1.9 74 74 A A T 34 S+ 0 0 93 1,-0.1 -2,-0.1 3,-0.1 3,-0.1 0.672 116.6 16.5 -75.2 -19.2 -3.0 33.6 -4.1 75 75 A G T <4 S+ 0 0 77 -3,-2.8 2,-0.4 1,-0.1 -1,-0.1 0.423 119.8 68.6-131.9 -3.8 -3.0 36.5 -1.6 76 76 A F < - 0 0 58 -4,-1.1 2,-0.6 -5,-0.1 -1,-0.1 -0.970 67.0-139.5-128.5 134.4 -5.0 35.4 1.4 77 77 A A - 0 0 69 -2,-0.4 2,-1.5 -3,-0.1 5,-0.1 -0.847 10.4-148.4 -97.2 122.1 -4.2 32.7 4.0 78 78 A Y + 0 0 6 -2,-0.6 120,-0.2 -5,-0.1 2,-0.1 -0.540 41.4 150.8 -90.8 68.6 -7.1 30.6 5.0 79 79 A T > - 0 0 37 -2,-1.5 4,-1.1 1,-0.1 5,-0.1 -0.363 61.9-108.7 -90.0 171.6 -6.1 30.0 8.6 80 80 A Q H > S+ 0 0 13 1,-0.2 4,-2.8 2,-0.2 3,-0.3 0.905 119.8 61.3 -65.1 -41.3 -8.4 29.3 11.6 81 81 A A H > S+ 0 0 55 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.852 99.9 54.6 -49.4 -40.8 -7.4 32.8 12.8 82 82 A A H > S+ 0 0 17 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.901 110.8 43.8 -66.2 -41.3 -8.9 34.3 9.7 83 83 A R H X S+ 0 0 1 -4,-1.1 4,-2.4 -3,-0.3 -2,-0.2 0.920 115.1 49.9 -67.4 -44.3 -12.3 32.7 10.3 84 84 A T H X S+ 0 0 9 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.912 112.9 45.3 -58.9 -48.4 -12.2 33.6 14.0 85 85 A D H X S+ 0 0 66 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.864 111.0 54.6 -66.2 -37.6 -11.3 37.2 13.3 86 86 A H H X S+ 0 0 7 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.923 108.4 48.3 -60.0 -47.9 -14.0 37.4 10.6 87 87 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.936 112.6 48.2 -56.4 -51.9 -16.7 36.1 13.1 88 88 A I H X S+ 0 0 17 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.903 112.8 49.3 -52.7 -45.3 -15.5 38.7 15.7 89 89 A S H X S+ 0 0 11 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.895 110.1 51.6 -62.7 -41.5 -15.6 41.4 13.0 90 90 A F H X S+ 0 0 0 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.906 109.0 49.0 -62.9 -45.3 -19.1 40.2 11.9 91 91 A I H <>S+ 0 0 0 -4,-2.5 5,-2.1 1,-0.2 4,-0.3 0.922 114.7 45.4 -60.4 -46.9 -20.5 40.4 15.5 92 92 A K H ><5S+ 0 0 123 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.851 107.9 56.9 -66.0 -38.8 -19.1 43.9 16.0 93 93 A A H 3<5S+ 0 0 42 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.858 108.8 45.8 -64.7 -37.3 -20.2 45.2 12.6 94 94 A L T 3<5S- 0 0 31 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.498 112.5-124.5 -80.2 -5.1 -23.9 44.4 13.4 95 95 A G T < 5 + 0 0 63 -3,-0.8 2,-0.3 -4,-0.3 -3,-0.2 0.810 54.2 157.1 65.7 32.3 -23.4 46.0 16.8 96 96 A L < - 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