==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 13-JUN-12 4AXJ . COMPND 2 MOLECULE: ETHANOLAMINE CARBOXYSOME STRUCTURAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM DIFFICILE; . AUTHOR A.C.PITTS,L.R.TUCK,A.FAULDS-PAIN,R.J.LEWIS,J.MARLES-WRIGHT . 262 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11099.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 76.3 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 . 80 30.5 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 . 3 1.1 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 . 12 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 33.6 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+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 0 0 0 0 0 0 0 0 0 3 0 0 0 3 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 3 2 4 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 3 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 4 A A 0 0 84 0, 0.0 47,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 49.7 -4.0 4.1 -11.1 2 5 A N + 0 0 117 44,-0.1 46,-0.2 74,-0.1 0, 0.0 0.514 360.0 115.6-107.5 -6.9 -5.1 5.1 -7.6 3 6 A A E -A 47 0A 2 44,-1.9 44,-1.4 74,-0.1 2,-0.4 -0.253 53.1-144.4 -67.6 153.1 -5.9 8.8 -7.9 4 7 A L E -AB 46 75A 1 71,-2.5 71,-2.9 42,-0.2 2,-0.4 -0.982 12.9-169.8-124.7 126.0 -9.6 9.8 -7.3 5 8 A G E -AB 45 74A 0 40,-2.5 40,-2.4 -2,-0.4 2,-0.4 -0.957 7.9-171.6-116.1 136.4 -11.5 12.6 -9.2 6 9 A M E -AB 44 73A 44 67,-2.4 67,-2.1 -2,-0.4 2,-0.4 -0.988 10.6-174.7-132.2 136.2 -14.9 13.8 -8.0 7 10 A I E -AB 43 72A 0 36,-2.3 36,-2.5 -2,-0.4 2,-0.4 -0.997 8.1-165.5-128.3 129.7 -17.4 16.1 -9.6 8 11 A E E +AB 42 71A 42 63,-2.8 62,-2.8 -2,-0.4 63,-1.8 -0.954 11.8 174.6-118.6 131.4 -20.6 17.1 -7.7 9 12 A T E -AB 41 69A 0 32,-2.8 32,-2.7 -2,-0.4 2,-0.8 -0.872 38.2-118.6-127.6 160.9 -23.6 18.8 -9.5 10 13 A K E S+AB 40 68A 61 58,-2.2 58,-0.5 -2,-0.3 30,-0.2 -0.921 93.9 25.1 -97.3 105.2 -27.1 19.9 -8.6 11 14 A G S > S- 0 0 1 28,-3.0 4,-0.8 -2,-0.8 30,-0.2 -0.045 83.5-108.0 114.5 144.5 -29.0 17.7 -11.0 12 15 A L H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.843 108.5 63.8 -75.2 -35.3 -28.4 14.4 -12.8 13 16 A V H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.926 102.6 50.2 -59.4 -42.3 -27.9 15.8 -16.3 14 17 A G H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.867 110.8 49.8 -59.4 -39.1 -24.8 17.7 -15.2 15 18 A A H X S+ 0 0 0 -4,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.876 110.4 48.8 -70.3 -42.2 -23.3 14.7 -13.6 16 19 A I H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.937 112.4 47.9 -64.1 -42.3 -23.9 12.4 -16.6 17 20 A E H X S+ 0 0 20 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.901 112.3 50.7 -65.3 -40.4 -22.3 15.0 -19.0 18 21 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.927 109.7 49.8 -58.1 -48.6 -19.4 15.3 -16.6 19 22 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.934 111.8 47.9 -58.2 -46.0 -18.9 11.6 -16.4 20 23 A D H X S+ 0 0 2 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.919 112.5 48.8 -63.4 -41.8 -18.9 11.3 -20.2 21 24 A A H X S+ 0 0 16 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.873 109.9 53.9 -64.6 -37.6 -16.5 14.2 -20.6 22 25 A M H X S+ 0 0 0 -4,-2.5 4,-1.0 1,-0.2 3,-0.5 0.941 108.9 44.7 -60.5 -52.3 -14.2 12.6 -18.0 23 26 A V H < S+ 0 0 10 -4,-2.1 -1,-0.2 1,-0.2 5,-0.2 0.721 116.0 48.9 -72.8 -16.6 -13.8 9.2 -19.6 24 27 A K H < S+ 0 0 91 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.687 105.5 57.7 -88.1 -20.0 -13.3 10.8 -23.0 25 28 A A H < S- 0 0 51 -4,-1.3 2,-0.3 -3,-0.5 -2,-0.2 0.742 121.7 -11.3 -85.4 -23.4 -10.7 13.3 -21.9 26 29 A A S < S- 0 0 24 -4,-1.0 2,-1.7 -5,-0.1 -1,-0.2 -0.963 85.6 -77.0-165.4 168.2 -8.1 10.9 -20.5 27 30 A N S S+ 0 0 126 -2,-0.3 21,-0.5 -3,-0.1 2,-0.3 -0.602 73.7 138.2 -82.6 84.5 -7.8 7.2 -19.6 28 31 A V - 0 0 1 -2,-1.7 2,-0.5 -5,-0.2 19,-0.2 -0.918 49.7-123.6-124.5 156.3 -9.7 7.2 -16.3 29 32 A Q E -C 46 0A 68 17,-3.3 17,-2.2 -2,-0.3 2,-0.4 -0.874 16.0-132.8-106.3 126.3 -12.2 4.7 -15.0 30 33 A L E +C 45 0A 23 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.614 24.9 179.6 -74.0 121.8 -15.7 5.7 -13.9 31 34 A V E - 0 0 57 13,-2.4 2,-0.3 -2,-0.4 14,-0.2 0.637 47.9 -71.8-107.1 -12.5 -16.3 4.1 -10.6 32 35 A G E -C 44 0A 11 12,-1.0 12,-2.1 55,-0.1 2,-0.3 -0.919 35.6 -98.9 156.0-178.0 -19.8 5.2 -9.9 33 36 A K E -C 43 0A 52 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.982 24.6-162.8-133.2 149.0 -22.3 7.9 -8.9 34 37 A E E -C 42 0A 81 8,-2.4 8,-2.8 -2,-0.3 2,-0.4 -0.979 5.9-155.1-132.0 143.5 -23.8 8.8 -5.6 35 38 A Q E +C 41 0A 62 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.975 11.7 177.3-116.7 135.7 -26.8 10.8 -4.7 36 39 A V - 0 0 90 4,-2.0 5,-0.1 -2,-0.4 -1,-0.1 0.157 48.2-100.2-124.5 17.7 -27.1 12.5 -1.3 37 40 A G S > S+ 0 0 35 3,-0.5 3,-2.1 89,-0.2 -1,-0.4 -0.153 95.1 77.6 89.6 168.9 -30.3 14.4 -1.5 38 41 A G T 3 S- 0 0 46 1,-0.3 89,-0.2 -3,-0.1 3,-0.1 0.751 125.7 -66.5 58.9 21.3 -31.2 18.0 -2.1 39 42 A G T 3 S+ 0 0 0 87,-1.5 -28,-3.0 1,-0.2 2,-0.5 0.400 95.5 144.1 87.7 -2.7 -30.5 17.3 -5.8 40 43 A L E < +A 10 0A 48 -3,-2.1 -4,-2.0 -30,-0.2 -3,-0.5 -0.608 22.8 179.0 -84.6 127.0 -26.8 16.7 -5.3 41 44 A V E -AC 9 35A 0 -32,-2.7 -32,-2.8 -2,-0.5 2,-0.4 -0.976 8.0-164.6-125.6 134.4 -25.2 14.1 -7.5 42 45 A T E -AC 8 34A 14 -8,-2.8 -8,-2.4 -2,-0.4 2,-0.4 -0.958 1.7-167.2-121.8 135.5 -21.5 13.1 -7.5 43 46 A V E -AC 7 33A 0 -36,-2.5 -36,-2.3 -2,-0.4 2,-0.4 -0.927 12.2-162.2-116.9 146.8 -19.6 11.1 -10.1 44 47 A M E -AC 6 32A 15 -12,-2.1 -13,-2.4 -2,-0.4 -12,-1.0 -0.964 8.8-169.9-134.9 145.8 -16.1 9.7 -9.5 45 48 A V E -AC 5 30A 0 -40,-2.4 -40,-2.5 -2,-0.4 2,-0.3 -0.916 8.5-151.2-130.3 156.0 -13.3 8.4 -11.5 46 49 A R E +AC 4 29A 38 -17,-2.2 -17,-3.3 -2,-0.3 2,-0.3 -0.924 37.2 111.3-120.2 153.6 -10.0 6.6 -10.8 47 50 A G E -A 3 0A 0 -44,-1.4 -44,-1.9 -2,-0.3 -19,-0.1 -0.984 68.2 -40.5 171.1-175.0 -6.8 6.7 -12.7 48 51 A D > - 0 0 91 -21,-0.5 4,-2.9 -2,-0.3 5,-0.3 -0.410 64.6-105.3 -73.2 153.3 -3.3 7.9 -12.7 49 52 A V H > S+ 0 0 50 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.888 117.3 46.6 -47.3 -49.6 -2.8 11.4 -11.2 50 53 A G H > S+ 0 0 47 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.921 114.2 47.0 -61.3 -46.1 -2.2 13.2 -14.5 51 54 A A H > S+ 0 0 14 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.897 111.8 51.3 -60.4 -45.7 -5.1 11.6 -16.3 52 55 A V H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.900 109.4 50.0 -65.0 -39.7 -7.5 12.2 -13.3 53 56 A K H X S+ 0 0 104 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.942 114.3 44.8 -60.3 -47.8 -6.5 15.9 -13.2 54 57 A A H X S+ 0 0 48 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.930 115.9 46.8 -61.4 -46.3 -7.1 16.3 -17.0 55 58 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.899 111.7 49.8 -62.7 -44.0 -10.4 14.3 -16.8 56 59 A T H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.902 109.7 51.1 -68.1 -38.8 -11.7 16.2 -13.8 57 60 A D H X S+ 0 0 119 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.923 113.5 45.8 -60.7 -41.8 -11.0 19.6 -15.4 58 61 A A H X S+ 0 0 32 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.899 112.6 50.5 -67.7 -42.8 -12.8 18.5 -18.6 59 62 A G H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.864 107.9 52.6 -60.9 -41.8 -15.7 17.1 -16.6 60 63 A A H X S+ 0 0 12 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.914 108.7 49.7 -63.7 -43.6 -16.1 20.3 -14.6 61 64 A A H X S+ 0 0 36 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.910 111.8 49.6 -60.0 -42.9 -16.3 22.3 -17.8 62 65 A A H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.895 110.0 49.7 -64.0 -40.3 -18.9 19.9 -19.2 63 66 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 3,-0.2 0.884 108.1 54.0 -65.1 -38.5 -21.0 20.1 -16.0 64 67 A E H < S+ 0 0 131 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.865 106.5 54.5 -63.9 -34.5 -20.8 24.0 -16.1 65 68 A R H < S+ 0 0 176 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.850 121.9 22.4 -67.3 -36.7 -22.2 23.9 -19.7 66 69 A V H < S- 0 0 23 -4,-1.3 96,-0.2 -3,-0.2 -1,-0.2 0.468 128.1 -9.1-114.4 -0.1 -25.3 21.9 -19.1 67 70 A G S < S- 0 0 34 -4,-1.3 2,-0.5 -5,-0.1 -56,-0.1 -0.590 88.1 -49.4-164.0-146.9 -26.1 22.3 -15.5 68 71 A E E -B 10 0A 110 -58,-0.5 -58,-2.2 -2,-0.2 2,-0.4 -0.964 40.3-151.8-129.4 110.3 -25.0 23.5 -12.1 69 72 A L E +B 9 0A 45 -2,-0.5 -60,-0.2 -60,-0.2 3,-0.1 -0.681 19.4 170.1 -84.9 130.5 -21.5 22.6 -10.8 70 73 A I E - 0 0 75 -62,-2.8 2,-0.3 -2,-0.4 -61,-0.2 0.813 61.1 -0.9-106.2 -45.2 -21.2 22.5 -7.0 71 74 A S E -B 8 0A 56 -63,-1.8 -63,-2.8 2,-0.0 -1,-0.4 -0.999 48.7-174.2-151.8 150.5 -17.7 20.9 -6.3 72 75 A V E +B 7 0A 54 -2,-0.3 2,-0.3 -65,-0.2 -65,-0.2 -0.986 19.7 155.5-144.6 131.2 -14.7 19.5 -8.1 73 76 A H E -B 6 0A 114 -67,-2.1 -67,-2.4 -2,-0.3 2,-0.4 -0.979 26.6-152.0-159.5 148.3 -11.7 17.9 -6.4 74 77 A V E -B 5 0A 20 -2,-0.3 -69,-0.2 -69,-0.2 -71,-0.0 -0.974 3.5-165.0-118.9 132.3 -8.9 15.4 -7.0 75 78 A I E -B 4 0A 54 -71,-2.9 -71,-2.5 -2,-0.4 -2,-0.0 -0.952 6.9-163.0-111.5 109.8 -7.2 13.3 -4.4 76 79 A P S S+ 0 0 33 0, 0.0 -74,-0.1 0, 0.0 -1,-0.1 0.877 82.1 14.7 -60.2 -41.1 -4.0 11.9 -5.8 77 80 A R S S- 0 0 189 -74,-0.1 -74,-0.1 -73,-0.1 3,-0.1 -0.646 79.8-159.4-138.5 79.9 -3.5 9.2 -3.3 78 81 A P - 0 0 21 0, 0.0 5,-0.1 0, 0.0 2,-0.0 -0.237 29.1-104.1 -59.8 146.0 -6.5 8.4 -1.2 79 82 A H >> - 0 0 109 1,-0.1 3,-1.4 2,-0.0 4,-0.9 -0.341 30.9-116.2 -65.4 146.6 -6.1 6.6 2.1 80 83 A F T 34 S+ 0 0 145 1,-0.3 3,-0.4 2,-0.2 4,-0.4 0.847 113.8 58.6 -61.2 -30.3 -7.1 3.0 1.9 81 84 A E T >4 S+ 0 0 131 1,-0.2 3,-0.9 2,-0.2 -1,-0.3 0.781 95.1 65.5 -67.2 -22.9 -9.9 3.5 4.5 82 85 A V G X4 S+ 0 0 47 -3,-1.4 3,-2.2 1,-0.2 -1,-0.2 0.875 86.4 69.0 -69.1 -34.2 -11.5 6.1 2.2 83 86 A D G >< S+ 0 0 76 -4,-0.9 3,-1.2 -3,-0.4 -1,-0.2 0.807 90.6 66.5 -47.2 -29.2 -12.1 3.4 -0.5 84 87 A A G < S+ 0 0 87 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.497 100.4 45.2 -79.0 -9.0 -14.7 2.0 1.9 85 88 A I G < S+ 0 0 131 -3,-2.2 -1,-0.3 -4,-0.1 -2,-0.2 0.143 94.0 102.1-116.9 16.7 -17.1 4.9 1.7 86 89 A L < 0 0 37 -3,-1.2 -3,-0.0 -4,-0.2 -54,-0.0 -0.703 360.0 360.0 -97.9 153.9 -17.0 5.2 -2.1 87 90 A P 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -53,-0.1 -0.034 360.0 360.0 -83.9 360.0 -19.7 4.0 -4.5 88 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 89 2 B A 0 0 135 0, 0.0 2,-0.3 0, 0.0 81,-0.2 0.000 360.0 360.0 360.0 147.4 -16.9 2.4 -30.6 90 3 B S - 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