==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 03-JAN-12 3VCD . COMPND 2 MOLECULE: PROPANEDIOL UTILIZATION POLYHEDRAL BODY PROTEIN P . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA; . AUTHOR M.R.SAWAYA,N.P.KING,W.SHEFFLER,D.BAKER,T.O.YEATES . 1466 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55779.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1137 77.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 431 29.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0.1 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 . 69 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 488 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 0 0 8 1 7 0 0 1 0 8 7 8 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 16 9 23 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 16 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 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 2 A S 0 0 82 0, 0.0 48,-1.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-122.3 -24.2 53.1 113.8 2 3 A Q E -AB 48 76A 46 74,-0.9 74,-3.0 46,-0.2 2,-0.3 -0.547 360.0-163.1 -87.4 155.6 -20.4 52.6 114.0 3 4 A A E -A 47 0A 0 44,-3.0 44,-1.6 72,-0.2 2,-0.4 -0.956 14.4-135.4-139.6 154.8 -18.8 49.1 114.4 4 5 A I E -AB 46 73A 0 69,-2.3 69,-3.1 -2,-0.3 2,-0.4 -0.964 15.6-162.8-113.4 129.5 -15.5 47.6 115.4 5 6 A G E -AB 45 72A 0 40,-2.6 40,-3.0 -2,-0.4 2,-0.4 -0.932 5.2-169.0-111.3 132.6 -14.0 44.7 113.4 6 7 A I E +AB 44 71A 1 65,-2.6 65,-1.9 -2,-0.4 2,-0.4 -0.992 7.1 177.3-124.2 128.5 -11.2 42.6 115.0 7 8 A L E -AB 43 70A 0 36,-3.0 36,-3.1 -2,-0.4 2,-0.4 -0.994 4.9-172.5-132.3 124.7 -9.1 40.1 113.1 8 9 A E E -AB 42 69A 7 61,-2.9 60,-3.1 -2,-0.4 61,-1.2 -0.974 8.7-172.6-119.3 130.4 -6.3 38.1 114.7 9 10 A L E -AB 41 67A 0 32,-2.8 32,-2.8 -2,-0.4 58,-0.2 -0.876 33.7-136.8-121.5 157.5 -4.0 35.9 112.6 10 11 A T S S+ 0 0 56 56,-2.6 2,-0.4 -2,-0.3 57,-0.1 0.576 91.5 64.3 -81.2 -15.7 -1.2 33.4 113.2 11 12 A S > - 0 0 0 55,-0.3 4,-2.0 1,-0.1 30,-0.1 -0.963 59.7-160.5-121.2 132.1 0.9 35.0 110.4 12 13 A I H > S+ 0 0 0 -2,-0.4 4,-2.6 27,-0.3 5,-0.2 0.906 100.1 52.4 -68.6 -44.9 2.4 38.5 110.0 13 14 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.929 113.3 44.3 -59.3 -44.9 2.7 38.1 106.2 14 15 A A H > S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.891 110.8 56.0 -66.1 -39.2 -1.1 37.1 106.1 15 16 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.906 109.9 44.0 -59.4 -45.3 -1.9 39.9 108.5 16 17 A M H X S+ 0 0 2 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.907 116.4 46.3 -68.5 -40.0 -0.3 42.5 106.2 17 18 A E H X S+ 0 0 38 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.912 116.6 44.8 -66.0 -45.3 -1.9 41.0 103.0 18 19 A L H X S+ 0 0 2 -4,-3.2 4,-2.5 2,-0.2 -2,-0.2 0.826 110.3 54.3 -71.3 -32.3 -5.4 40.7 104.7 19 20 A G H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.956 110.7 47.0 -63.4 -47.9 -5.1 44.2 106.2 20 21 A D H X S+ 0 0 8 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.889 113.5 47.8 -58.3 -46.9 -4.5 45.6 102.7 21 22 A A H X S+ 0 0 23 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.873 110.7 51.3 -64.5 -41.1 -7.4 43.5 101.2 22 23 A M H X S+ 0 0 0 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.869 107.6 52.8 -65.7 -37.7 -9.9 44.6 103.9 23 24 A L H < S+ 0 0 14 -4,-2.0 5,-0.3 1,-0.2 -1,-0.2 0.816 113.6 43.9 -66.2 -32.1 -9.0 48.3 103.4 24 25 A K H < S+ 0 0 87 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.713 105.5 63.4 -83.4 -25.6 -9.7 47.9 99.6 25 26 A S H < S- 0 0 36 -4,-1.5 2,-0.3 -5,-0.1 -2,-0.2 0.772 116.5 -9.5 -70.0 -33.0 -12.9 45.9 100.2 26 27 A A S < S- 0 0 22 -4,-1.0 2,-1.6 -3,-0.1 -1,-0.1 -0.920 82.7 -75.5-156.0 177.2 -14.9 48.7 102.0 27 28 A N S S+ 0 0 133 -2,-0.3 21,-0.5 -3,-0.0 2,-0.3 -0.626 74.9 141.8 -85.3 77.3 -14.8 52.2 103.6 28 29 A V E -C 47 0A 10 -2,-1.6 2,-0.4 -5,-0.3 19,-0.2 -0.883 45.9-134.6-119.9 150.4 -13.1 51.1 106.8 29 30 A D E -C 46 0A 92 17,-3.2 17,-2.2 -2,-0.3 2,-0.6 -0.890 19.0-126.6-108.1 136.4 -10.5 52.8 108.9 30 31 A L E +C 45 0A 49 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.759 34.0 168.4 -82.8 117.4 -7.4 50.9 110.2 31 32 A L E + 0 0 24 13,-3.2 2,-0.3 -2,-0.6 14,-0.2 0.820 68.5 11.5 -95.5 -43.6 -7.3 51.5 114.0 32 33 A V E +C 44 0A 23 12,-1.5 12,-2.7 2,-0.0 -1,-0.4 -0.991 55.1 165.9-140.4 139.3 -4.7 48.8 114.9 33 34 A S E +C 43 0A 20 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.738 35.1 128.5-155.0 89.4 -2.3 46.8 112.7 34 35 A K E -C 42 0A 85 8,-2.2 8,-3.2 -2,-0.2 2,-0.2 -0.998 57.9-102.7-152.0 159.5 0.5 45.2 114.8 35 36 A T E -C 41 0A 42 -2,-0.3 2,-0.4 6,-0.2 6,-0.2 -0.574 33.6-162.2 -78.9 139.9 2.4 42.1 115.8 36 37 A I E >> -C 40 0A 11 4,-2.7 4,-2.3 -2,-0.2 3,-2.2 -0.964 36.0 -65.7-122.3 140.3 1.5 40.5 119.1 37 38 A S T 34 S+ 0 0 79 -2,-0.4 93,-0.0 1,-0.3 4,-0.0 -0.332 117.0 27.7 -62.6 142.3 3.7 38.1 121.0 38 39 A P T 34 S- 0 0 89 0, 0.0 281,-0.4 0, 0.0 -1,-0.3 -0.777 131.5 -67.4 -96.0 34.9 4.6 35.3 120.2 39 40 A G T <4 S+ 0 0 3 -3,-2.2 -27,-0.3 1,-0.2 -2,-0.2 0.573 87.1 134.2 128.3 19.9 4.3 36.2 116.5 40 41 A K E < - C 0 36A 66 -4,-2.3 -4,-2.7 -29,-0.1 2,-0.4 -0.455 45.5-134.4 -85.5 165.1 0.5 36.7 116.0 41 42 A F E -AC 9 35A 0 -32,-2.8 -32,-2.8 -6,-0.2 2,-0.5 -0.984 13.1-154.9-129.9 139.1 -0.8 39.6 114.1 42 43 A L E -AC 8 34A 0 -8,-3.2 -8,-2.2 -2,-0.4 2,-0.4 -0.949 9.3-175.8-121.1 130.4 -3.7 41.9 115.0 43 44 A L E -AC 7 33A 0 -36,-3.1 -36,-3.0 -2,-0.5 2,-0.4 -0.973 2.4-176.0-120.7 132.2 -6.0 44.0 112.8 44 45 A M E -AC 6 32A 0 -12,-2.7 -13,-3.2 -2,-0.4 -12,-1.5 -0.999 7.8-171.7-129.9 127.8 -8.7 46.4 114.2 45 46 A L E -AC 5 30A 0 -40,-3.0 -40,-2.6 -2,-0.4 2,-0.3 -0.911 8.3-161.4-120.7 151.0 -11.1 48.3 111.9 46 47 A G E +AC 4 29A 0 -17,-2.2 -17,-3.2 -2,-0.3 2,-0.3 -0.965 37.4 89.4-130.2 144.5 -13.6 51.0 112.5 47 48 A G E S-AC 3 28A 4 -44,-1.6 -44,-3.0 -2,-0.3 -19,-0.1 -0.973 73.9 -23.5 163.2-167.4 -16.5 52.1 110.2 48 49 A D E > -A 2 0A 98 -21,-0.5 4,-2.6 -2,-0.3 3,-0.3 -0.446 62.8-113.1 -69.0 144.7 -20.2 51.5 109.4 49 50 A I H > S+ 0 0 49 -48,-1.2 4,-3.2 1,-0.2 5,-0.2 0.832 115.4 51.0 -44.2 -48.7 -21.6 48.1 110.3 50 51 A G H > S+ 0 0 43 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.910 113.4 43.9 -58.5 -48.4 -22.1 47.0 106.6 51 52 A A H > S+ 0 0 17 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.887 115.9 48.8 -64.5 -42.8 -18.5 48.0 105.7 52 53 A I H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.926 111.6 47.9 -63.2 -49.7 -17.1 46.3 108.8 53 54 A Q H X S+ 0 0 109 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.890 114.5 47.9 -58.7 -41.4 -19.2 43.0 108.3 54 55 A Q H X S+ 0 0 112 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.934 113.7 45.5 -64.0 -51.3 -18.0 43.0 104.7 55 56 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.926 115.0 47.5 -60.5 -46.0 -14.3 43.6 105.5 56 57 A I H X S+ 0 0 7 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.894 111.9 50.1 -64.7 -38.2 -14.3 41.0 108.4 57 58 A E H X S+ 0 0 124 -4,-2.3 4,-2.2 -5,-0.2 5,-0.2 0.908 111.7 48.6 -63.9 -44.4 -16.1 38.4 106.1 58 59 A T H X S+ 0 0 33 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.940 116.2 43.9 -58.0 -52.0 -13.4 39.1 103.3 59 60 A G H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.903 113.8 48.5 -60.7 -49.2 -10.6 38.7 105.9 60 61 A T H X S+ 0 0 31 -4,-3.0 4,-0.9 2,-0.2 -1,-0.2 0.864 113.1 46.9 -63.1 -41.8 -12.1 35.5 107.7 61 62 A S H >< S+ 0 0 57 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.940 116.1 43.8 -67.7 -46.2 -12.7 33.6 104.5 62 63 A Q H 3< S+ 0 0 95 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.695 106.5 64.4 -70.5 -22.1 -9.2 34.4 103.0 63 64 A A H >< S+ 0 0 0 -4,-1.5 3,-2.3 1,-0.2 -1,-0.2 0.793 72.7 169.1 -71.2 -33.6 -7.5 33.7 106.4 64 65 A G G X< S- 0 0 11 -4,-0.9 3,-1.3 -3,-0.6 1386,-0.2 -0.269 73.4 -9.4 55.5-129.8 -8.5 30.0 106.5 65 66 A E G 3 S+ 0 0 137 1384,-1.4 -1,-0.3 1,-0.3 1385,-0.2 0.460 126.2 77.0 -74.6 -4.6 -6.6 28.1 109.3 66 67 A L G < S+ 0 0 15 -3,-2.3 -56,-2.6 1383,-0.6 2,-0.3 0.663 71.4 106.0 -79.7 -14.5 -4.4 31.3 109.8 67 68 A L E < +B 9 0A 54 -3,-1.3 -58,-0.2 -58,-0.2 3,-0.1 -0.487 41.0 174.5 -68.6 120.9 -7.4 32.8 111.7 68 69 A V E - 0 0 61 -60,-3.1 2,-0.3 1,-0.4 -59,-0.2 0.880 69.7 -30.0 -86.6 -54.4 -6.9 32.9 115.5 69 70 A D E -B 8 0A 86 -61,-1.2 -61,-2.9 2,-0.0 -1,-0.4 -0.976 53.0-164.5-162.6 156.0 -10.2 34.9 116.1 70 71 A S E +B 7 0A 38 -2,-0.3 2,-0.3 -63,-0.2 -63,-0.2 -0.980 11.7 177.5-145.3 148.2 -12.5 37.4 114.5 71 72 A L E -B 6 0A 61 -65,-1.9 -65,-2.6 -2,-0.3 2,-0.5 -0.986 18.8-154.9-156.8 141.3 -15.2 39.6 116.0 72 73 A V E -B 5 0A 53 -2,-0.3 2,-0.6 -67,-0.2 -67,-0.2 -0.995 9.8-165.3-119.6 121.2 -17.7 42.2 115.0 73 74 A L E -B 4 0A 24 -69,-3.1 -69,-2.3 -2,-0.5 3,-0.2 -0.946 16.0-162.3-108.7 107.2 -18.9 44.6 117.7 74 75 A A E + 0 0 44 -2,-0.6 -71,-0.2 -71,-0.2 -72,-0.1 -0.436 59.9 29.8 -86.4 164.8 -22.0 46.5 116.4 75 76 A N E S+ 0 0 102 -73,-0.2 2,-0.4 1,-0.2 -72,-0.2 0.919 75.1 168.4 52.1 56.3 -23.6 49.8 117.7 76 77 A I E -B 2 0A 5 -74,-3.0 -74,-0.9 -3,-0.2 -1,-0.2 -0.851 41.1-110.9-100.4 133.8 -20.5 51.4 119.0 77 78 A H > - 0 0 67 -2,-0.4 3,-2.0 1,-0.1 4,-0.5 -0.407 29.7-121.5 -60.2 133.9 -20.4 55.0 120.1 78 79 A P T > S+ 0 0 73 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.787 108.1 63.7 -52.8 -32.7 -18.2 57.0 117.6 79 80 A S T 3> S+ 0 0 33 1,-0.2 4,-1.0 2,-0.2 -2,-0.0 0.668 89.9 69.2 -67.2 -16.9 -15.8 58.3 120.3 80 81 A V H <> S+ 0 0 0 -3,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.869 90.1 62.8 -67.1 -38.3 -14.7 54.6 121.0 81 82 A L H X> S+ 0 0 12 -3,-0.9 4,-2.0 -4,-0.5 3,-1.2 0.958 106.3 40.5 -57.0 -57.0 -12.9 54.4 117.6 82 83 A P H 3> S+ 0 0 51 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.797 111.4 59.7 -64.4 -22.8 -10.3 57.2 118.2 83 84 A A H 3< S+ 0 0 0 -4,-1.0 42,-2.5 2,-0.2 -2,-0.2 0.759 108.7 44.5 -73.1 -24.1 -9.9 55.9 121.8 84 85 A I H << S+ 0 0 16 -4,-1.3 -1,-0.2 -3,-1.2 43,-0.1 0.890 118.9 40.5 -81.3 -46.5 -8.8 52.5 120.3 85 86 A S H < S- 0 0 69 -4,-2.0 -2,-0.2 -5,-0.1 2,-0.2 0.724 136.9 -47.3 -75.0 -25.1 -6.4 54.0 117.6 86 87 A G S < S- 0 0 35 -4,-2.0 39,-0.4 -5,-0.2 2,-0.3 -0.503 85.2 -37.4-167.2-121.8 -5.0 56.6 120.0 87 88 A L - 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