==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-SEP-05 2B4Q . COMPND 2 MOLECULE: RHAMNOLIPIDS BIOSYNTHESIS 3-OXOACYL-[ACYL- . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR D.J.MILLER,S.W.WHITE . 504 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22003.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 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 . 2 0.4 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 . 27 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.6 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 0 2 0 0 2 1 1 2 4 1 1 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 6 2 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 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 0 128 0, 0.0 5,-0.1 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0 121.5 -3.1 68.0 24.5 2 2 A H >> - 0 0 106 1,-0.1 4,-2.1 3,-0.1 3,-1.9 -0.188 360.0-109.3 -51.4 140.2 -1.0 69.1 27.5 3 3 A P T 34 S+ 0 0 101 0, 0.0 235,-0.2 0, 0.0 -1,-0.1 0.745 116.2 61.2 -41.8 -36.5 -3.1 70.5 30.5 4 4 A Y T 34 S+ 0 0 144 1,-0.2 234,-1.4 233,-0.1 235,-0.5 0.818 120.4 22.9 -62.3 -33.5 -1.7 74.0 29.8 5 5 A F T <4 S+ 0 0 91 -3,-1.9 -1,-0.2 232,-0.2 2,-0.1 0.539 94.2 117.0-114.5 -11.2 -3.2 74.2 26.3 6 6 A S < - 0 0 41 -4,-2.1 27,-0.2 1,-0.1 232,-0.1 -0.363 35.5-177.7 -64.1 131.9 -6.0 71.6 26.6 7 7 A L > + 0 0 2 25,-3.1 3,-2.0 22,-0.2 28,-0.3 -0.055 28.8 151.9-114.5 27.4 -9.6 73.0 26.1 8 8 A A T 3 + 0 0 70 24,-0.4 26,-0.2 1,-0.3 3,-0.1 -0.428 69.9 17.6 -63.7 126.1 -11.2 69.6 26.8 9 9 A G T 3 S+ 0 0 59 24,-0.9 2,-0.3 1,-0.3 -1,-0.3 0.279 99.0 124.9 93.5 -8.6 -14.7 70.0 28.3 10 10 A R < - 0 0 35 -3,-2.0 25,-3.1 23,-0.1 2,-0.6 -0.634 53.4-142.5 -88.8 141.7 -14.8 73.6 27.1 11 11 A I E -a 35 0A 10 -2,-0.3 77,-2.3 23,-0.2 76,-1.5 -0.912 23.8-174.8-108.0 120.9 -17.7 75.0 25.0 12 12 A A E -ab 36 88A 0 23,-3.1 25,-2.9 -2,-0.6 2,-0.4 -0.821 18.0-163.0-117.1 150.0 -16.7 77.5 22.3 13 13 A L E -ab 37 89A 0 75,-2.4 77,-3.3 -2,-0.3 2,-0.6 -0.984 6.3-170.6-129.2 123.4 -18.5 79.7 19.8 14 14 A V E > -ab 38 90A 0 23,-2.3 25,-1.6 -2,-0.4 3,-0.8 -0.953 11.7-152.2-113.4 111.7 -16.6 81.3 16.9 15 15 A T E 3 S+ab 39 91A 3 75,-2.4 77,-0.5 -2,-0.6 25,-0.2 -0.570 85.7 22.4 -78.3 149.1 -18.6 83.9 14.9 16 16 A G T > S+ 0 0 15 23,-1.6 3,-0.5 76,-0.2 6,-0.5 0.831 85.8 140.3 57.4 35.9 -17.5 84.2 11.2 17 17 A G T < + 0 0 0 22,-1.2 23,-0.1 -3,-0.8 -2,-0.1 0.346 39.7 86.5 -91.8 6.1 -16.1 80.6 11.6 18 18 A S T 3 S- 0 0 10 21,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.743 103.8 -6.0 -80.1 -23.6 -17.1 79.3 8.2 19 19 A R S X> S+ 0 0 94 -3,-0.5 4,-0.9 30,-0.0 3,-0.6 -0.936 107.1 20.4-157.0 174.6 -14.0 80.6 6.4 20 20 A G H 3> S- 0 0 15 -2,-0.3 4,-1.7 1,-0.2 3,-0.2 -0.234 120.0 -14.0 64.2-142.7 -10.8 82.7 6.9 21 21 A I H 3> S+ 0 0 28 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.873 135.0 60.2 -62.9 -41.2 -9.4 83.4 10.3 22 22 A G H <> S+ 0 0 0 -3,-0.6 4,-2.8 -6,-0.5 -5,-0.2 0.895 106.7 47.5 -51.0 -43.8 -12.7 82.2 12.0 23 23 A Q H X S+ 0 0 51 -4,-0.9 4,-2.5 -7,-0.3 -1,-0.2 0.881 110.2 50.7 -68.1 -42.3 -12.1 78.8 10.4 24 24 A M H X S+ 0 0 23 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.902 114.3 45.3 -59.6 -44.2 -8.4 78.6 11.5 25 25 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.943 110.9 52.9 -66.4 -48.1 -9.5 79.5 15.0 26 26 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.908 112.0 45.4 -52.8 -47.4 -12.4 77.0 15.0 27 27 A Q H X S+ 0 0 62 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.928 111.6 53.2 -63.7 -45.6 -10.1 74.2 13.9 28 28 A G H X S+ 0 0 1 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.918 110.8 45.2 -53.6 -50.1 -7.5 75.2 16.4 29 29 A L H <>S+ 0 0 0 -4,-2.8 5,-2.3 2,-0.2 4,-0.3 0.871 111.5 53.7 -64.1 -39.8 -9.9 75.1 19.3 30 30 A L H ><5S+ 0 0 2 -4,-2.1 3,-1.6 -5,-0.3 -2,-0.2 0.921 107.5 49.8 -57.5 -48.8 -11.4 71.8 18.1 31 31 A E H 3<5S+ 0 0 97 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.744 104.2 60.9 -63.6 -25.1 -7.9 70.2 18.1 32 32 A A T 3<5S- 0 0 1 -4,-1.1 -25,-3.1 -5,-0.2 -24,-0.4 0.549 126.9-100.4 -78.6 -8.1 -7.4 71.6 21.6 33 33 A G T < 5S+ 0 0 40 -3,-1.6 -24,-0.9 -4,-0.3 -3,-0.2 0.405 75.2 143.0 105.7 1.3 -10.4 69.4 22.7 34 34 A A < - 0 0 3 -5,-2.3 2,-0.8 -26,-0.2 -1,-0.3 -0.391 54.4-126.5 -75.1 148.1 -13.1 72.1 22.8 35 35 A R E -a 11 0A 86 -25,-3.1 -23,-3.1 -28,-0.3 2,-0.5 -0.881 41.3-164.9 -89.2 112.1 -16.6 71.6 21.7 36 36 A V E -ac 12 59A 0 22,-1.4 24,-1.4 -2,-0.8 2,-0.3 -0.911 21.5-166.4-121.6 124.4 -17.0 74.3 19.1 37 37 A F E -ac 13 60A 1 -25,-2.9 -23,-2.3 -2,-0.5 2,-0.3 -0.675 13.8-162.3 -89.1 150.1 -20.0 75.9 17.4 38 38 A I E -ac 14 61A 0 22,-2.2 24,-3.2 -2,-0.3 2,-0.3 -0.973 4.1-167.1-132.8 149.5 -19.5 78.2 14.4 39 39 A C E +a 15 0A 1 -25,-1.6 -23,-1.6 -2,-0.3 -22,-1.2 -0.993 16.3 145.5-140.7 150.0 -21.8 80.7 12.7 40 40 A A - 0 0 14 -2,-0.3 24,-2.6 22,-0.3 -2,-0.0 -0.928 52.9-102.7-161.1 176.2 -22.1 82.7 9.5 41 41 A R S S+ 0 0 145 -2,-0.3 2,-1.1 22,-0.2 -1,-0.1 0.936 102.1 76.5 -74.0 -50.6 -24.7 84.1 7.1 42 42 A D > - 0 0 70 1,-0.2 4,-2.3 -3,-0.1 5,-0.2 -0.510 66.2-168.8 -67.8 96.9 -24.2 81.4 4.4 43 43 A A H > S+ 0 0 46 -2,-1.1 4,-1.8 1,-0.2 -1,-0.2 0.866 83.2 44.3 -55.7 -43.7 -26.1 78.5 6.0 44 44 A E H > S+ 0 0 160 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.879 113.5 48.4 -73.2 -43.0 -24.8 75.9 3.5 45 45 A A H > S+ 0 0 35 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.880 113.0 49.5 -65.0 -39.1 -21.2 77.0 3.5 46 46 A C H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.892 111.5 47.8 -67.0 -42.8 -21.1 77.1 7.3 47 47 A A H X S+ 0 0 45 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.886 111.1 51.6 -64.6 -40.4 -22.6 73.6 7.5 48 48 A D H X S+ 0 0 84 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.901 111.0 48.7 -61.9 -42.8 -20.0 72.4 5.0 49 49 A T H X S+ 0 0 3 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.950 109.5 51.1 -58.8 -53.4 -17.3 73.9 7.1 50 50 A A H X S+ 0 0 5 -4,-2.6 4,-0.9 1,-0.2 9,-0.2 0.862 111.2 49.0 -54.0 -41.5 -18.6 72.3 10.3 51 51 A T H >< S+ 0 0 100 -4,-2.1 3,-0.5 2,-0.2 4,-0.3 0.930 113.0 46.4 -63.3 -49.6 -18.7 68.9 8.6 52 52 A R H >< S+ 0 0 117 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.898 113.9 48.9 -58.7 -41.6 -15.1 69.4 7.3 53 53 A L H >< S+ 0 0 4 -4,-3.2 3,-2.3 1,-0.2 4,-0.4 0.636 88.8 84.2 -74.3 -14.6 -14.0 70.5 10.8 54 54 A S T << S+ 0 0 60 -4,-0.9 3,-0.4 -3,-0.5 -1,-0.2 0.654 72.6 76.7 -64.2 -14.8 -15.8 67.5 12.3 55 55 A A T < S+ 0 0 84 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.1 0.606 99.4 43.6 -63.5 -12.9 -12.5 65.6 11.5 56 56 A Y S < S- 0 0 102 -3,-2.3 2,-0.3 1,-0.4 -23,-0.2 0.548 127.1 -62.1-112.7 -12.1 -11.1 67.4 14.6 57 57 A G S S- 0 0 32 -4,-0.4 2,-1.2 -3,-0.4 -1,-0.4 -0.961 87.3 -18.5 155.0-167.7 -13.9 67.1 17.2 58 58 A D + 0 0 87 -2,-0.3 -22,-1.4 -24,-0.2 2,-0.4 -0.542 66.6 168.1 -74.3 95.8 -17.5 68.1 17.8 59 59 A C E +c 36 0A 10 -2,-1.2 2,-0.4 -9,-0.2 -22,-0.2 -0.936 7.2 175.6-113.4 132.5 -18.2 70.9 15.4 60 60 A Q E -c 37 0A 82 -24,-1.4 -22,-2.2 -2,-0.4 2,-0.3 -0.999 21.8-133.5-138.5 137.1 -21.7 72.3 14.7 61 61 A A E -c 38 0A 23 -2,-0.4 -22,-0.2 -24,-0.2 -14,-0.1 -0.682 12.5-171.3 -89.8 139.0 -22.9 75.2 12.6 62 62 A I - 0 0 10 -24,-3.2 -22,-0.3 -2,-0.3 2,-0.1 -0.907 23.4-138.7-124.5 100.7 -25.5 77.7 13.8 63 63 A P + 0 0 75 0, 0.0 2,-0.3 0, 0.0 -22,-0.2 -0.378 36.6 159.9 -59.2 134.2 -26.5 80.0 10.8 64 64 A A - 0 0 15 -24,-2.6 2,-0.7 -2,-0.1 8,-0.1 -0.963 38.6-144.3-159.4 137.4 -26.8 83.6 12.0 65 65 A D > - 0 0 66 -2,-0.3 3,-0.5 1,-0.1 6,-0.2 -0.901 15.6-176.9-107.9 104.6 -26.8 87.1 10.4 66 66 A L T 3 + 0 0 12 -2,-0.7 6,-0.2 1,-0.2 -1,-0.1 0.446 58.5 99.9 -80.9 -1.0 -25.1 89.4 12.9 67 67 A S T 3 S+ 0 0 63 4,-0.1 2,-0.3 3,-0.0 -1,-0.2 0.319 87.3 38.7 -73.4 9.2 -25.7 92.5 10.8 68 68 A S S <> S- 0 0 54 -3,-0.5 4,-1.1 1,-0.1 3,-0.3 -0.969 86.1-114.0-147.8 163.2 -28.6 93.5 13.0 69 69 A E H > S+ 0 0 67 -2,-0.3 4,-1.7 1,-0.2 3,-0.4 0.904 115.2 58.9 -61.9 -42.2 -29.5 93.3 16.7 70 70 A A H > S+ 0 0 43 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.820 101.3 55.8 -56.2 -36.5 -32.2 90.7 16.1 71 71 A G H > S+ 0 0 1 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.866 106.1 49.1 -64.9 -41.0 -29.6 88.4 14.6 72 72 A A H X S+ 0 0 2 -4,-1.1 4,-1.8 -3,-0.4 -2,-0.2 0.853 110.9 51.7 -65.9 -37.2 -27.4 88.4 17.7 73 73 A R H X S+ 0 0 117 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.900 110.0 48.3 -65.6 -44.0 -30.5 87.7 19.8 74 74 A R H X S+ 0 0 158 -4,-2.1 4,-3.3 2,-0.2 -2,-0.2 0.896 108.9 53.4 -63.7 -43.3 -31.4 84.7 17.7 75 75 A L H X S+ 0 0 2 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.905 109.4 49.3 -56.9 -43.7 -27.9 83.3 17.8 76 76 A A H X S+ 0 0 13 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.874 114.0 45.6 -63.0 -40.5 -28.0 83.5 21.6 77 77 A Q H X S+ 0 0 125 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.904 112.5 50.8 -67.4 -43.7 -31.4 81.8 21.6 78 78 A A H X S+ 0 0 41 -4,-3.3 4,-0.5 1,-0.2 3,-0.3 0.876 113.4 43.9 -63.2 -42.0 -30.2 79.1 19.1 79 79 A L H >X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 3,-0.6 0.830 106.3 64.3 -70.8 -34.4 -27.0 78.3 21.2 80 80 A G H 3< S+ 0 0 37 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.775 101.7 47.6 -59.8 -33.2 -29.1 78.3 24.4 81 81 A E H 3< S+ 0 0 176 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.672 117.1 45.7 -79.5 -18.3 -31.2 75.3 23.3 82 82 A L H << S+ 0 0 63 -3,-0.6 2,-0.3 -4,-0.5 -2,-0.2 0.768 122.5 20.5 -93.4 -31.5 -27.9 73.5 22.3 83 83 A S < - 0 0 11 -4,-2.4 -1,-0.2 1,-0.1 3,-0.0 -0.986 54.8-144.6-144.8 149.3 -25.9 74.3 25.4 84 84 A A S S+ 0 0 65 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.1 0.596 87.5 12.1 -89.1 -14.7 -26.4 75.3 29.1 85 85 A R - 0 0 98 -6,-0.1 2,-0.4 48,-0.1 46,-0.2 -0.914 63.1-135.0-147.9 172.2 -23.2 77.6 29.3 86 86 A L + 0 0 0 44,-1.8 48,-0.3 -2,-0.3 49,-0.2 -0.933 17.9 175.1-138.7 116.8 -20.6 79.2 27.1 87 87 A D S S+ 0 0 1 -76,-1.5 55,-2.9 -2,-0.4 2,-0.4 0.800 71.9 31.9 -87.2 -34.5 -16.9 79.0 28.1 88 88 A I E -bd 12 142A 0 -77,-2.3 -75,-2.4 53,-0.2 2,-0.5 -0.974 58.8-174.5-135.7 115.9 -15.3 80.6 25.0 89 89 A L E -bd 13 143A 0 53,-3.2 55,-3.5 -2,-0.4 2,-0.6 -0.961 4.8-171.8-108.4 119.2 -16.6 83.4 22.8 90 90 A V E -bd 14 144A 0 -77,-3.3 -75,-2.4 -2,-0.5 2,-1.0 -0.947 8.5-158.5-109.3 114.2 -14.6 84.3 19.7 91 91 A N E +bd 15 145A 5 53,-2.8 55,-2.7 -2,-0.6 -75,-0.1 -0.782 35.4 141.8 -95.8 96.1 -15.9 87.4 17.9 92 92 A N + 0 0 24 -2,-1.0 -76,-0.2 -77,-0.5 -1,-0.2 0.787 24.8 112.9-107.8 -36.8 -14.5 87.1 14.4 93 93 A A + 0 0 24 -54,-0.1 2,-0.3 26,-0.1 53,-0.1 -0.137 44.1 131.3 -44.8 123.3 -17.2 88.4 11.9 94 94 A G - 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