==== 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 29-JUL-13 4LXI . 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) . 11328.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 68.5 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 . 16 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.4 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 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 78 0, 0.0 41,-0.1 0, 0.0 175,-0.0 0.000 360.0 360.0 360.0 154.6 -36.4 28.1 -2.6 2 2 A F > + 0 0 7 1,-0.1 3,-2.0 39,-0.1 39,-0.0 0.631 360.0 142.7 72.0 21.1 -36.7 29.7 0.8 3 3 A E T 3 + 0 0 139 1,-0.3 -1,-0.1 3,-0.1 4,-0.1 0.578 51.4 85.1 -74.6 -4.6 -38.4 32.8 -0.6 4 4 A Q T 3 S+ 0 0 135 2,-0.1 2,-0.4 1,-0.0 -1,-0.3 0.707 88.0 65.5 -62.1 -18.3 -40.6 33.0 2.4 5 5 A F S < S- 0 0 17 -3,-2.0 2,-0.7 15,-0.0 17,-0.1 -0.906 90.1-124.5-106.6 137.1 -37.7 34.9 3.9 6 6 A E - 0 0 143 -2,-0.4 15,-0.3 15,-0.3 2,-0.2 -0.670 26.1-131.0 -76.7 110.7 -36.5 38.3 2.6 7 7 A S - 0 0 41 -2,-0.7 2,-0.3 13,-0.1 13,-0.2 -0.446 29.3-174.2 -58.1 127.2 -32.8 38.1 1.7 8 8 A K E -A 19 0A 64 11,-2.8 11,-2.6 -2,-0.2 2,-0.4 -0.889 7.8-157.1-122.6 157.5 -30.8 41.0 3.2 9 9 A F E +A 18 0A 75 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.981 11.2 176.5-136.6 145.0 -27.2 41.9 2.7 10 10 A I E -A 17 0A 38 7,-1.7 7,-3.3 -2,-0.4 2,-0.5 -0.984 32.2-110.2-148.3 152.9 -24.8 43.9 4.8 11 11 A D E -A 16 0A 101 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.763 25.1-171.9 -92.6 125.9 -21.1 44.8 4.6 12 12 A C E > S-A 15 0A 1 3,-2.8 3,-1.8 -2,-0.5 78,-0.1 -0.847 74.7 -47.6-119.2 93.2 -18.8 43.1 7.1 13 13 A D T 3 S- 0 0 143 -2,-0.6 -1,-0.1 1,-0.3 3,-0.1 0.907 122.3 -39.8 41.2 51.9 -15.3 44.7 6.7 14 14 A G T 3 S+ 0 0 55 1,-0.2 2,-0.7 3,-0.0 -1,-0.3 0.375 116.5 110.9 83.9 -2.7 -15.6 44.3 2.9 15 15 A I E < -A 12 0A 25 -3,-1.8 -3,-2.8 71,-0.1 2,-0.5 -0.930 66.6-138.6-100.7 115.8 -17.2 40.9 2.9 16 16 A R E -A 11 0A 118 -2,-0.7 53,-2.6 -5,-0.2 2,-0.5 -0.694 26.8-157.1 -78.8 122.4 -20.8 41.4 1.6 17 17 A T E -A 10 0A 0 -7,-3.3 -7,-1.7 -2,-0.5 2,-0.2 -0.904 9.3-145.8-121.2 122.2 -22.8 39.1 3.9 18 18 A H E +A 9 0A 1 -2,-0.5 43,-2.2 -9,-0.2 2,-0.3 -0.558 28.6 157.0 -82.7 144.7 -26.2 37.5 3.2 19 19 A Y E -AB 8 60A 20 -11,-2.6 -11,-2.8 41,-0.2 2,-0.3 -0.988 27.4-148.9-160.4 161.8 -28.7 37.0 6.0 20 20 A I E - B 0 59A 0 39,-2.4 39,-1.8 -2,-0.3 2,-0.3 -0.860 16.9-172.0-123.7 161.1 -32.4 36.5 6.8 21 21 A E E - B 0 58A 47 -15,-0.3 2,-0.3 -2,-0.3 -15,-0.3 -0.992 5.9-179.0-153.8 158.5 -34.3 37.5 9.9 22 22 A M E + B 0 57A 76 35,-1.9 35,-2.9 -2,-0.3 33,-0.1 -0.987 44.5 11.4-159.5 144.5 -37.7 37.0 11.5 23 23 A G - 0 0 36 -2,-0.3 2,-0.3 33,-0.2 33,-0.2 -0.258 69.1 -99.2 88.9-168.7 -39.6 38.0 14.6 24 24 A E + 0 0 167 28,-0.7 2,-0.4 31,-0.5 33,-0.0 -0.971 66.6 61.3-152.1 166.5 -38.8 40.6 17.3 25 25 A G S S+ 0 0 53 -2,-0.3 30,-0.2 30,-0.2 29,-0.0 -0.907 92.3 7.1 115.4-147.4 -37.4 40.9 20.7 26 26 A D S S- 0 0 89 28,-0.4 30,-2.6 -2,-0.4 2,-0.2 -0.337 85.7 -99.0 -76.1 149.6 -33.9 39.9 21.8 27 27 A P E -c 56 0A 20 0, 0.0 73,-2.2 0, 0.0 2,-0.4 -0.497 35.1-177.1 -78.4 137.5 -31.4 38.8 19.2 28 28 A L E -cd 57 100A 0 28,-2.6 30,-3.1 -2,-0.2 2,-0.5 -0.980 8.7-163.2-127.3 119.4 -30.7 35.2 18.4 29 29 A V E -cd 58 101A 0 71,-2.9 73,-2.4 -2,-0.4 2,-0.5 -0.879 2.7-158.0-105.6 133.5 -28.0 34.4 15.8 30 30 A L E -cd 59 102A 0 28,-2.9 30,-1.1 -2,-0.5 2,-0.6 -0.920 0.6-157.6-111.5 130.4 -27.8 31.1 14.2 31 31 A V E -cd 60 103A 0 71,-3.0 73,-2.6 -2,-0.5 76,-0.1 -0.925 15.8-141.9-114.5 115.0 -24.5 29.8 12.6 32 32 A H - 0 0 0 -2,-0.6 8,-0.1 28,-0.5 75,-0.1 -0.022 21.8 -96.5 -67.5 168.3 -24.9 27.0 10.0 33 33 A G - 0 0 4 6,-0.2 29,-0.2 73,-0.2 72,-0.1 -0.206 26.5-118.6 -80.0 174.9 -22.6 24.0 9.4 34 34 A G + 0 0 5 70,-0.1 3,-0.1 3,-0.1 -1,-0.1 0.206 63.3 129.1-105.2 15.1 -19.8 23.8 6.8 35 35 A G S > S- 0 0 11 1,-0.2 3,-1.9 2,-0.1 114,-0.1 -0.175 75.3 -69.9 -64.2 164.9 -21.1 20.9 4.6 36 36 A A T 3 S+ 0 0 1 1,-0.3 -1,-0.2 113,-0.1 148,-0.1 -0.339 118.5 3.5 -64.6 129.8 -21.2 21.4 0.9 37 37 A G T 3 S+ 0 0 10 1,-0.2 -1,-0.3 146,-0.1 146,-0.1 0.472 94.5 145.4 80.6 2.0 -23.9 23.8 -0.2 38 38 A A < + 0 0 1 -3,-1.9 28,-0.5 145,-0.1 2,-0.3 -0.325 13.8 154.3 -73.8 155.2 -25.0 24.7 3.3 39 39 A D > - 0 0 2 26,-0.1 4,-1.7 1,-0.1 -6,-0.2 -0.937 55.3 -86.9-162.5 177.6 -26.3 28.1 4.4 40 40 A G H > S+ 0 0 0 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.932 119.5 50.7 -59.0 -50.2 -28.5 29.7 7.1 41 41 A R H > S+ 0 0 21 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.934 114.0 42.1 -54.9 -55.9 -31.8 29.3 5.2 42 42 A S H 4 S+ 0 0 10 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.802 117.9 46.7 -66.7 -31.7 -31.4 25.7 4.4 43 43 A N H < S+ 0 0 2 -4,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.834 126.7 24.6 -74.5 -38.0 -30.1 24.7 7.9 44 44 A F H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 3,-0.3 0.187 81.7 113.4-120.1 10.7 -32.6 26.6 10.0 45 45 A A T < S+ 0 0 20 -4,-1.3 -1,-0.1 1,-0.2 -3,-0.1 0.889 85.7 43.5 -55.1 -45.5 -35.8 27.0 7.8 46 46 A D T 4 S+ 0 0 109 -4,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.797 116.5 46.9 -70.2 -29.1 -37.9 24.7 10.0 47 47 A N T > S+ 0 0 0 -3,-0.3 4,-2.5 1,-0.2 3,-0.4 0.771 93.3 79.6 -84.2 -26.8 -36.6 26.3 13.3 48 48 A F H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.907 92.3 46.7 -50.0 -53.5 -37.0 29.9 12.2 49 49 A P H > S+ 0 0 52 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.840 112.7 50.3 -63.0 -33.1 -40.8 30.2 12.8 50 50 A I H >4 S+ 0 0 24 -4,-0.5 3,-0.9 -3,-0.4 4,-0.3 0.973 115.0 42.6 -64.9 -53.6 -40.6 28.6 16.2 51 51 A F H >X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 3,-2.1 0.851 105.2 64.7 -60.9 -36.2 -37.8 30.9 17.3 52 52 A A H 3< S+ 0 0 16 -4,-2.7 -28,-0.7 1,-0.3 -1,-0.2 0.779 89.4 68.3 -63.1 -25.6 -39.5 34.0 15.7 53 53 A R T << S+ 0 0 165 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.679 118.3 19.2 -65.2 -14.6 -42.4 33.6 18.2 54 54 A H T <4 S+ 0 0 66 -3,-2.1 -28,-0.4 -4,-0.3 2,-0.3 0.618 125.7 20.5-128.6 -27.0 -40.1 34.6 21.0 55 55 A M S < S- 0 0 0 -4,-2.2 2,-0.9 -30,-0.2 -31,-0.5 -0.847 79.6 -93.8-140.1 172.1 -37.0 36.4 19.7 56 56 A R E - c 0 27A 59 -30,-2.6 -28,-2.6 -2,-0.3 2,-0.4 -0.878 51.5-158.1 -90.0 105.1 -35.6 38.3 16.8 57 57 A V E -Bc 22 28A 0 -35,-2.9 -35,-1.9 -2,-0.9 2,-0.4 -0.776 13.0-175.0 -99.7 134.3 -34.0 35.4 15.0 58 58 A I E -Bc 21 29A 0 -30,-3.1 -28,-2.9 -2,-0.4 2,-0.5 -0.987 9.2-176.0-131.6 124.3 -31.1 35.9 12.5 59 59 A A E -Bc 20 30A 1 -39,-1.8 -39,-2.4 -2,-0.4 2,-0.2 -0.996 12.8-178.2-118.7 127.6 -29.4 33.4 10.2 60 60 A Y E -Bc 19 31A 0 -30,-1.1 -28,-0.5 -2,-0.5 2,-0.5 -0.720 28.3-110.8-116.0 168.2 -26.4 34.6 8.1 61 61 A D - 0 0 1 -43,-2.2 -43,-0.2 -2,-0.2 3,-0.1 -0.886 32.6-123.2-102.6 131.9 -24.1 32.8 5.6 62 62 A M > - 0 0 1 -2,-0.5 3,-2.7 -29,-0.2 6,-0.3 -0.340 43.4 -80.1 -70.2 150.2 -20.5 32.2 6.5 63 63 A V T 3 S+ 0 0 0 1,-0.3 7,-0.2 20,-0.1 -1,-0.1 -0.294 124.1 24.5 -50.1 122.5 -17.6 33.6 4.3 64 64 A G T 3 S+ 0 0 3 5,-1.7 2,-0.3 1,-0.3 -1,-0.3 0.331 112.9 85.1 103.7 -6.1 -17.4 31.1 1.4 65 65 A F S X S- 0 0 6 -3,-2.7 3,-1.5 4,-0.3 -1,-0.3 -0.908 84.4 -13.9-125.3 155.1 -20.9 29.8 1.7 66 66 A G T 3 S- 0 0 3 -28,-0.5 -27,-0.1 -2,-0.3 4,-0.0 -0.315 117.4 -30.4 68.3-132.9 -24.4 30.7 0.5 67 67 A Q T 3 S+ 0 0 61 -2,-0.1 -1,-0.2 2,-0.1 2,-0.2 0.202 107.9 107.7-112.5 11.9 -24.9 34.2 -0.9 68 68 A T S < S- 0 0 6 -3,-1.5 -51,-0.2 -6,-0.3 -4,-0.1 -0.570 89.1 -79.0 -77.9 154.8 -22.2 35.8 1.2 69 69 A D - 0 0 59 -53,-2.6 -5,-1.7 -2,-0.2 -4,-0.3 -0.251 35.9-158.3 -53.4 143.2 -19.0 36.7 -0.7 70 70 A A - 0 0 18 -7,-0.2 122,-0.1 -6,-0.2 -1,-0.1 -0.680 20.2-150.0-124.8 73.2 -16.7 33.8 -1.4 71 71 A P - 0 0 35 0, 0.0 5,-0.1 0, 0.0 -56,-0.0 -0.020 32.2 -86.7 -49.7 143.7 -13.4 35.7 -2.0 72 72 A D >> - 0 0 115 1,-0.2 3,-1.4 3,-0.1 4,-0.9 -0.283 30.1-142.2 -56.1 125.9 -10.9 34.1 -4.4 73 73 A P T 34 S+ 0 0 50 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.435 96.0 77.4 -73.4 1.3 -8.7 31.7 -2.5 74 74 A A T 34 S+ 0 0 92 1,-0.1 -2,-0.1 3,-0.1 3,-0.1 0.778 118.1 15.4 -71.2 -29.3 -5.8 32.8 -4.7 75 75 A G T <4 S+ 0 0 78 -3,-1.4 2,-0.4 1,-0.1 -1,-0.1 0.385 120.4 71.5-122.9 2.0 -5.8 35.8 -2.4 76 76 A F < - 0 0 54 -4,-0.9 2,-0.6 -5,-0.1 -1,-0.1 -0.983 65.4-143.0-127.9 128.8 -8.0 34.8 0.6 77 77 A A - 0 0 67 -2,-0.4 2,-1.6 1,-0.1 5,-0.1 -0.798 10.0-150.0 -90.6 119.2 -7.0 32.3 3.4 78 78 A Y + 0 0 6 -2,-0.6 2,-0.2 -5,-0.1 121,-0.2 -0.562 42.9 148.8 -90.9 72.0 -10.1 30.2 4.5 79 79 A T > - 0 0 35 -2,-1.6 4,-1.7 1,-0.1 3,-0.4 -0.562 62.9-110.1-100.4 165.4 -9.0 29.8 8.0 80 80 A Q H > S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.898 119.7 58.6 -63.4 -36.5 -11.0 29.4 11.2 81 81 A A H > S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.849 101.6 55.0 -60.6 -33.0 -9.8 32.8 12.3 82 82 A A H > S+ 0 0 19 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.952 110.5 45.1 -66.9 -47.0 -11.3 34.3 9.1 83 83 A R H X S+ 0 0 2 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.912 113.0 50.3 -56.4 -47.9 -14.8 32.8 9.9 84 84 A T H X S+ 0 0 10 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.901 112.1 46.5 -62.7 -43.3 -14.6 33.9 13.5 85 85 A D H X S+ 0 0 72 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.834 109.9 54.8 -68.1 -34.7 -13.7 37.4 12.6 86 86 A H H X S+ 0 0 4 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.948 108.8 48.4 -59.6 -47.3 -16.5 37.4 10.0 87 87 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.932 112.5 47.6 -60.5 -47.8 -19.0 36.5 12.7 88 88 A I H X S+ 0 0 16 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.927 112.0 50.0 -59.6 -44.0 -17.8 39.2 15.0 89 89 A S H X S+ 0 0 12 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.906 110.2 51.5 -61.2 -41.9 -17.9 41.7 12.2 90 90 A F H X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.916 108.1 50.6 -58.1 -46.4 -21.4 40.6 11.4 91 91 A I H <>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 4,-0.2 0.915 114.5 43.3 -63.1 -44.2 -22.6 41.0 14.9 92 92 A K H ><5S+ 0 0 126 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.900 108.5 58.6 -67.5 -41.2 -21.2 44.5 15.2 93 93 A A H 3<5S+ 0 0 42 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.810 106.2 48.9 -58.7 -33.7 -22.5 45.6 11.7 94 94 A L T 3<5S- 0 0 30 -4,-1.6 -1,-0.3 -3,-0.1 -2,-0.2 0.496 114.1-119.9 -82.9 -4.1 -26.1 44.8 12.8 95 95 A G T < 5 + 0 0 67 -3,-1.6 2,-0.3 -4,-0.2 -3,-0.2 0.884 58.1 158.8 66.8 40.6 -25.6 46.8 16.0 96 96 A L < + 0 0 14 -5,-2.1 2,-0.3 -6,-0.1 -1,-0.2 -0.655 18.5 179.3 -98.1 149.2 -26.3 43.8 18.2 97 97 A S + 0 0 74 -2,-0.3 24,-0.2 1,-0.2 25,-0.1 -0.970 62.3 13.3-142.3 159.4 -25.2 43.3 21.9 98 98 A K S S+ 0 0 135 22,-0.7 24,-0.3 -2,-0.3 -1,-0.2 0.909 85.6 178.1 39.2 62.2 -25.8 40.5 24.5 99 99 A I E - 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