==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOXYSOME 03-NOV-05 2EWH . COMPND 2 MOLECULE: MAJOR CARBOXYSOME SHELL PROTEIN 1A; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOTHIOBACILLUS NEAPOLITANUS; . AUTHOR Y.TSAI,M.R.SAWAYA,C.A.KERFELD,T.O.YEATES . 92 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5445.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 69 75.0 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 . 28 30.4 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 . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 . 4 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 29.3 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+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 1 1 0 0 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 1 0 2 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 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 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 6 A G 0 0 57 0, 0.0 47,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.2 27.4 18.0 -4.5 2 7 A I + 0 0 86 75,-0.2 77,-0.5 44,-0.1 46,-0.2 0.333 360.0 124.4-113.3 10.3 23.8 18.8 -5.5 3 8 A A E -A 47 0A 1 44,-2.1 44,-1.5 75,-0.1 2,-0.4 -0.326 51.8-139.2 -63.0 155.6 23.8 18.2 -9.3 4 9 A L E -AB 46 76A 2 72,-2.5 72,-2.4 42,-0.2 2,-0.4 -0.974 17.4-172.1-125.4 130.2 21.1 15.6 -10.5 5 10 A G E -AB 45 75A 0 40,-2.8 40,-2.5 -2,-0.4 2,-0.4 -0.944 9.9-176.3-119.7 142.2 21.5 13.0 -13.1 6 11 A M E -AB 44 74A 44 68,-2.2 68,-2.5 -2,-0.4 2,-0.4 -0.997 12.1-174.5-142.1 136.6 18.5 10.9 -14.3 7 12 A I E -AB 43 73A 0 36,-2.4 36,-2.9 -2,-0.4 2,-0.4 -0.996 8.1-162.8-129.8 134.2 18.1 8.0 -16.7 8 13 A E E +AB 42 72A 47 64,-2.2 63,-3.4 -2,-0.4 64,-2.0 -0.981 14.4 178.5-116.8 134.9 14.7 6.5 -17.6 9 14 A T E -AB 41 70A 0 32,-2.9 32,-2.3 -2,-0.4 2,-0.8 -0.740 37.8-109.4-128.6 166.9 14.4 3.1 -19.2 10 15 A R E S-A 40 0A 118 59,-2.2 58,-0.7 -2,-0.2 30,-0.2 -0.917 94.8 -1.1 -99.6 99.5 11.8 0.7 -20.5 11 16 A G S > S- 0 0 28 28,-2.9 4,-0.7 -2,-0.8 30,-0.2 -0.141 86.0 -89.7 103.5 164.5 12.0 -2.0 -17.9 12 17 A L H > S+ 0 0 61 2,-0.2 4,-2.4 1,-0.1 5,-0.2 0.820 110.7 67.1 -83.2 -35.2 14.0 -2.5 -14.8 13 18 A V H > S+ 0 0 101 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.942 103.8 43.7 -60.1 -50.8 17.0 -4.4 -16.3 14 19 A P H > S+ 0 0 4 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.855 111.5 57.1 -61.7 -29.0 18.3 -1.5 -18.3 15 20 A A H X S+ 0 0 0 -4,-0.7 4,-2.6 2,-0.2 -2,-0.2 0.899 106.4 48.4 -65.9 -38.8 17.8 0.8 -15.3 16 21 A I H X S+ 0 0 102 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.909 112.0 49.3 -68.4 -39.0 20.0 -1.4 -13.1 17 22 A E H X S+ 0 0 71 -4,-2.2 4,-3.0 -5,-0.2 5,-0.2 0.915 111.2 49.9 -63.1 -43.2 22.7 -1.4 -15.9 18 23 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.926 110.2 50.2 -58.8 -45.9 22.4 2.4 -16.1 19 24 A A H X S+ 0 0 11 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.899 112.7 47.0 -60.4 -44.4 22.7 2.7 -12.3 20 25 A D H X S+ 0 0 63 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.944 114.3 45.5 -62.6 -50.5 25.8 0.5 -12.3 21 26 A A H X S+ 0 0 16 -4,-3.0 4,-1.3 1,-0.2 -2,-0.2 0.886 114.4 49.5 -61.8 -38.0 27.5 2.3 -15.2 22 27 A M H X S+ 0 0 0 -4,-2.7 4,-1.1 -5,-0.2 3,-0.2 0.939 112.9 45.3 -63.3 -47.1 26.7 5.7 -13.6 23 28 A T H < S+ 0 0 55 -4,-2.3 5,-0.3 1,-0.2 -1,-0.2 0.785 115.2 47.6 -76.9 -24.2 28.0 4.9 -10.2 24 29 A K H < S+ 0 0 159 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.739 106.4 60.6 -78.3 -25.2 31.2 3.3 -11.6 25 30 A A H < S- 0 0 46 -4,-1.3 2,-0.3 -3,-0.2 -2,-0.2 0.777 118.8 -14.1 -77.5 -32.1 31.9 6.2 -14.0 26 31 A A S < S- 0 0 25 -4,-1.1 2,-1.8 2,-0.1 -1,-0.2 -0.964 86.6 -69.2-163.5 170.8 32.2 9.0 -11.4 27 32 A E S S+ 0 0 178 -2,-0.3 21,-0.5 -3,-0.1 2,-0.3 -0.529 74.4 137.5 -76.9 88.1 31.6 9.9 -7.7 28 33 A V E -C 47 0A 19 -2,-1.8 2,-0.4 -5,-0.3 19,-0.2 -0.953 47.6-130.7-130.3 154.7 27.8 10.0 -7.6 29 34 A R E -C 46 0A 135 17,-3.0 17,-2.3 -2,-0.3 2,-0.7 -0.880 18.4-130.2-107.8 134.3 25.3 8.7 -5.1 30 35 A L E +C 45 0A 57 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.743 32.1 172.6 -82.7 111.1 22.4 6.6 -6.2 31 36 A V E - 0 0 2 13,-2.5 2,-0.3 -2,-0.7 14,-0.2 0.699 54.0 -4.0-100.8 -20.1 19.4 8.3 -4.5 32 37 A G E -C 44 0A 2 12,-1.5 12,-2.2 59,-0.1 2,-0.4 -0.994 36.1-157.3-164.4 160.7 16.5 6.5 -6.1 33 38 A R E -C 43 0A 84 -2,-0.3 2,-0.5 10,-0.2 59,-0.2 -0.955 29.6-165.3-138.1 120.8 15.0 4.0 -8.5 34 39 A Q E -C 42 0A 91 8,-3.1 8,-2.3 -2,-0.4 2,-0.8 -0.946 21.7-144.7-119.2 127.0 11.3 4.7 -9.3 35 40 A F E -C 41 0A 135 -2,-0.5 6,-0.2 6,-0.2 3,-0.1 -0.831 24.0-175.9 -86.3 114.4 8.8 2.5 -10.9 36 41 A V E - 0 0 77 4,-2.2 -1,-0.2 -2,-0.8 5,-0.1 0.701 38.3-100.1 -91.4 -23.1 6.9 5.1 -12.8 37 42 A G E > S+C 40 0A 42 3,-0.8 3,-1.7 0, 0.0 -1,-0.2 -0.179 98.4 52.1 107.7 143.8 4.1 3.1 -14.3 38 43 A G T 3 S- 0 0 95 1,-0.3 3,-0.1 -2,-0.1 -3,-0.0 0.446 131.3 -61.6 82.0 -6.5 3.5 1.7 -17.8 39 44 A G T 3 S+ 0 0 43 1,-0.4 -28,-2.9 -29,-0.1 -1,-0.3 0.261 98.5 135.6 107.0 -9.8 7.0 -0.0 -17.6 40 45 A Y E < -AC 10 37A 111 -3,-1.7 -4,-2.2 -30,-0.2 -3,-0.8 -0.507 31.8-172.1 -68.7 139.9 9.1 3.2 -17.3 41 46 A V E -AC 9 35A 6 -32,-2.3 -32,-2.9 -30,-0.2 2,-0.4 -1.000 3.9-161.6-131.2 139.7 11.8 3.0 -14.6 42 47 A T E -AC 8 34A 18 -8,-2.3 -8,-3.1 -2,-0.4 2,-0.4 -0.968 3.2-163.2-123.9 133.6 13.9 6.0 -13.5 43 48 A V E -AC 7 33A 4 -36,-2.9 -36,-2.4 -2,-0.4 2,-0.4 -0.947 10.9-159.7-116.7 137.4 17.2 6.0 -11.7 44 49 A L E -AC 6 32A 7 -12,-2.2 -13,-2.5 -2,-0.4 -12,-1.5 -0.955 9.2-177.6-122.9 134.6 18.5 9.2 -10.0 45 50 A V E -AC 5 30A 0 -40,-2.5 -40,-2.8 -2,-0.4 2,-0.3 -0.929 8.6-156.8-129.1 150.6 22.0 10.1 -8.9 46 51 A R E +AC 4 29A 33 -17,-2.3 -17,-3.0 -2,-0.3 2,-0.3 -0.953 33.5 110.4-123.0 152.1 23.4 13.2 -7.1 47 52 A G E -AC 3 28A 9 -44,-1.5 -44,-2.1 -2,-0.3 -19,-0.1 -0.976 67.0 -40.1 174.1-171.2 27.0 14.6 -7.1 48 53 A E > - 0 0 127 -21,-0.5 4,-2.6 -2,-0.3 5,-0.2 -0.418 63.9-105.6 -73.3 155.9 29.2 17.4 -8.2 49 54 A T H > S+ 0 0 65 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.905 118.7 47.1 -51.8 -54.1 28.4 18.8 -11.8 50 55 A G H > S+ 0 0 52 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.905 113.5 49.0 -56.0 -45.9 31.4 17.2 -13.5 51 56 A A H > S+ 0 0 22 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.912 112.0 48.4 -60.6 -43.0 30.8 13.8 -11.8 52 57 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.922 109.2 53.4 -68.5 -38.6 27.1 13.9 -12.8 53 58 A N H X S+ 0 0 48 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.950 113.7 43.0 -56.3 -50.2 28.0 14.8 -16.5 54 59 A A H X S+ 0 0 43 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.923 115.3 49.8 -62.8 -44.6 30.4 11.8 -16.7 55 60 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.920 110.5 46.7 -63.3 -48.2 28.0 9.5 -14.9 56 61 A V H X S+ 0 0 7 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.902 112.4 51.4 -67.4 -36.0 24.9 10.2 -17.0 57 62 A R H X S+ 0 0 164 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.940 112.5 45.6 -63.7 -44.9 26.9 9.9 -20.2 58 63 A A H X S+ 0 0 31 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.889 113.3 50.0 -66.1 -41.2 28.3 6.5 -19.1 59 64 A G H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.889 109.4 50.3 -67.2 -39.5 24.9 5.2 -18.0 60 65 A A H X S+ 0 0 14 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.951 112.1 47.7 -60.3 -50.5 23.1 6.3 -21.3 61 66 A D H < S+ 0 0 113 -4,-2.0 4,-0.3 -5,-0.2 -2,-0.2 0.857 116.5 45.2 -55.4 -40.1 25.8 4.5 -23.4 62 67 A A H >< S+ 0 0 23 -4,-1.7 3,-0.7 -5,-0.2 -2,-0.2 0.924 115.1 41.4 -76.7 -47.0 25.6 1.4 -21.3 63 68 A C H >< S+ 0 0 0 -4,-2.7 3,-2.1 1,-0.2 6,-0.2 0.722 92.7 83.1 -82.0 -18.3 21.8 0.9 -20.9 64 69 A E T 3< S+ 0 0 117 -4,-1.7 6,-0.3 1,-0.3 -1,-0.2 0.804 96.7 43.6 -47.8 -37.4 20.9 1.7 -24.6 65 70 A R T < S+ 0 0 219 -3,-0.7 2,-0.5 -4,-0.3 -1,-0.3 0.219 95.9 93.4 -98.8 13.6 21.7 -1.9 -25.6 66 71 A V S X S- 0 0 38 -3,-2.1 3,-2.1 -52,-0.0 -49,-0.0 -0.919 96.1 -48.5-112.3 129.1 20.0 -3.7 -22.7 67 72 A G T 3 S- 0 0 67 -2,-0.5 3,-0.1 1,-0.3 -56,-0.1 -0.147 122.6 -12.9 54.4-139.2 16.4 -5.0 -22.9 68 73 A D T 3 S- 0 0 131 -58,-0.7 -1,-0.3 1,-0.2 -57,-0.1 0.471 104.6-151.8 -79.6 0.9 13.9 -2.5 -24.2 69 74 A G < - 0 0 4 -3,-2.1 -59,-2.2 -59,-0.2 2,-0.3 -0.199 28.0 -6.3 81.6-157.6 16.5 0.2 -23.7 70 75 A L E +B 9 0A 37 -6,-0.3 -61,-0.2 -61,-0.2 3,-0.1 -0.672 34.3 167.7 -99.0 135.9 16.8 4.0 -23.1 71 76 A V E S- 0 0 53 -63,-3.4 2,-0.3 1,-0.4 -62,-0.2 0.794 70.4 -0.7-105.1 -51.9 14.1 6.6 -22.8 72 77 A A E -B 8 0A 39 -64,-2.0 -64,-2.2 2,-0.0 2,-0.4 -0.999 44.2-174.0-145.6 146.7 15.8 9.7 -21.3 73 78 A A E +B 7 0A 43 -2,-0.3 2,-0.3 -66,-0.2 -66,-0.2 -0.959 29.7 158.8-140.7 119.1 19.2 10.8 -20.1 74 79 A H E -B 6 0A 105 -68,-2.5 -68,-2.2 -2,-0.4 2,-0.4 -0.993 26.6-154.3-148.4 147.1 19.2 14.2 -18.5 75 80 A I E -B 5 0A 46 -2,-0.3 2,-0.4 -70,-0.2 -70,-0.2 -0.974 5.9-173.6-124.3 138.8 21.2 16.4 -16.1 76 81 A I E -B 4 0A 59 -72,-2.4 -72,-2.5 -2,-0.4 3,-0.4 -0.938 9.7-164.0-122.7 111.8 20.1 19.3 -14.0 77 82 A A S S+ 0 0 44 -2,-0.4 2,-0.2 1,-0.3 -75,-0.2 0.769 81.4 11.5 -70.0 -29.7 23.1 20.9 -12.3 78 83 A R S S- 0 0 207 -75,-0.1 -1,-0.3 -74,-0.1 -75,-0.1 -0.655 76.5-157.5-146.3 95.2 21.2 22.8 -9.7 79 84 A V - 0 0 11 -77,-0.5 5,-0.1 -3,-0.4 -3,-0.0 -0.337 34.5 -96.1 -68.6 153.4 17.5 22.1 -9.2 80 85 A H >> - 0 0 123 1,-0.1 3,-1.5 3,-0.1 4,-1.0 -0.335 35.2-113.5 -61.6 148.1 15.3 24.7 -7.6 81 86 A S H >> S+ 0 0 86 1,-0.3 4,-0.6 2,-0.2 3,-0.5 0.834 117.5 62.8 -53.8 -32.7 14.9 24.1 -3.8 82 87 A E H >4 S+ 0 0 131 1,-0.2 3,-0.9 2,-0.2 -1,-0.3 0.845 97.3 57.0 -57.6 -35.4 11.2 23.4 -4.5 83 88 A V H X4 S+ 0 0 51 -3,-1.5 3,-2.1 1,-0.2 4,-0.5 0.813 89.3 72.6 -72.0 -27.4 12.2 20.4 -6.7 84 89 A E H X< S+ 0 0 64 -4,-1.0 3,-1.4 -3,-0.5 -1,-0.2 0.847 86.3 68.5 -52.2 -33.2 14.1 18.8 -3.7 85 90 A N T << S+ 0 0 132 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.643 104.2 39.7 -64.8 -17.7 10.7 18.0 -2.2 86 91 A I T < S+ 0 0 134 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.347 97.3 94.5-108.3 2.3 9.9 15.4 -5.0 87 92 A L S < S- 0 0 23 -3,-1.4 2,-0.1 -4,-0.5 -55,-0.0 -0.810 78.0-120.3 -96.3 132.2 13.5 13.9 -5.1 88 93 A P - 0 0 26 0, 0.0 -2,-0.1 0, 0.0 -57,-0.0 -0.432 15.1-159.9 -68.5 146.8 14.2 10.8 -3.1 89 94 A K S S+ 0 0 165 1,-0.3 -57,-0.1 -2,-0.1 -5,-0.0 0.755 77.2 17.2 -91.9 -32.1 17.0 11.2 -0.6 90 95 A A S S- 0 0 57 2,-0.0 -1,-0.3 0, 0.0 -59,-0.2 -0.986 80.6-119.4-141.9 144.9 17.7 7.4 -0.1 91 96 A P 0 0 68 0, 0.0 -59,-0.1 0, 0.0 -57,-0.1 -0.453 360.0 360.0 -84.2 162.6 16.8 4.5 -2.2 92 97 A Q 0 0 211 -59,-0.2 -59,-0.1 -2,-0.1 -61,-0.0 -0.999 360.0 360.0-126.9 360.0 14.7 1.5 -1.1