==== 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 13-FEB-06 2G13 . COMPND 2 MOLECULE: MAJOR CARBOXYSOME SHELL PROTEIN 1A; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOTHIOBACILLUS NEAPOLITANUS; . AUTHOR Y.TSAI,M.R.SAWAYA,G.C.CANNON,E.B.WILLIAMS,C.A.KERFELD,T.O.YE . 95 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5573.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 70 73.7 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 29.5 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 . 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 . 5 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 28.4 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 0 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 4 A V 0 0 124 0, 0.0 29,-0.0 0, 0.0 48,-0.0 0.000 360.0 360.0 360.0 -53.8 29.5 13.0 -0.5 2 5 A T + 0 0 117 2,-0.0 47,-0.1 0, 0.0 2,-0.1 0.421 360.0 119.1-116.0 -1.7 28.1 16.6 -0.2 3 6 A G - 0 0 8 45,-0.1 47,-0.2 1,-0.1 0, 0.0 -0.376 47.0-155.5 -68.6 147.0 27.3 17.8 -3.7 4 7 A I + 0 0 82 75,-0.2 77,-0.6 44,-0.1 46,-0.2 0.331 49.9 120.5-109.3 5.4 23.7 18.7 -4.6 5 8 A A E -A 49 0A 1 44,-2.0 44,-1.3 75,-0.1 2,-0.4 -0.275 55.3-135.7 -62.4 157.2 23.5 18.2 -8.4 6 9 A L E -AB 48 78A 2 72,-2.7 72,-2.4 42,-0.2 2,-0.4 -0.976 16.2-167.9-125.6 129.7 21.0 15.6 -9.6 7 10 A G E -AB 47 77A 0 40,-3.2 40,-2.2 -2,-0.4 2,-0.4 -0.924 12.1-175.1-115.3 141.0 21.5 12.9 -12.2 8 11 A M E +AB 46 76A 42 68,-2.6 68,-3.0 -2,-0.4 2,-0.4 -0.983 14.5 178.7-146.3 133.6 18.5 11.0 -13.6 9 12 A I E -AB 45 75A 0 36,-2.0 36,-2.6 -2,-0.4 2,-0.4 -0.995 9.8-164.1-130.1 134.9 18.0 8.1 -15.9 10 13 A E E -AB 44 74A 50 64,-2.6 63,-2.6 -2,-0.4 64,-1.7 -0.970 14.5-178.5-121.7 137.0 14.7 6.6 -16.8 11 14 A T E -AB 43 72A 0 32,-3.3 32,-2.3 -2,-0.4 2,-1.0 -0.859 37.2-110.5-132.6 162.1 14.4 3.2 -18.5 12 15 A R E S+A 42 0A 117 59,-2.1 58,-0.7 -2,-0.3 30,-0.2 -0.829 95.4 0.6 -91.0 93.6 11.8 0.8 -19.8 13 16 A G S > S- 0 0 26 28,-2.3 4,-0.6 -2,-1.0 30,-0.2 -0.237 85.0 -91.8 110.9 161.3 12.0 -1.9 -17.2 14 17 A L H > S+ 0 0 62 2,-0.2 4,-2.1 3,-0.1 5,-0.2 0.801 111.2 66.1 -79.4 -31.1 14.0 -2.5 -14.0 15 18 A V H >> S+ 0 0 99 1,-0.2 4,-2.1 2,-0.2 3,-0.6 0.972 103.4 42.9 -63.1 -55.4 17.0 -4.3 -15.5 16 19 A P H 3> S+ 0 0 4 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.831 112.2 58.6 -56.6 -28.6 18.4 -1.5 -17.7 17 20 A A H 3X S+ 0 0 0 -4,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.884 105.5 46.9 -66.2 -39.7 17.7 0.8 -14.6 18 21 A I H S+C 42 0A 50 3,-0.8 3,-1.4 0, 0.0 -1,-0.2 -0.156 97.4 56.2 108.1 151.9 3.9 2.9 -13.7 40 43 A G T 3 S- 0 0 96 1,-0.3 -3,-0.0 -2,-0.1 -28,-0.0 0.370 132.4 -62.4 76.6 -4.8 3.5 1.7 -17.3 41 44 A G T 3 S+ 0 0 46 1,-0.4 -28,-2.3 -29,-0.0 -1,-0.3 0.241 98.1 135.6 108.2 -8.2 6.9 0.1 -17.1 42 45 A Y E < -AC 12 39A 113 -3,-1.4 -4,-2.5 -30,-0.2 -3,-0.8 -0.524 29.4-175.6 -72.6 137.5 9.0 3.3 -16.5 43 46 A V E -AC 11 37A 6 -32,-2.3 -32,-3.3 -30,-0.2 2,-0.4 -0.995 5.2-163.0-130.9 138.2 11.8 3.0 -13.8 44 47 A T E -AC 10 36A 18 -8,-2.1 -8,-3.3 -2,-0.4 2,-0.4 -0.985 3.5-161.4-126.8 129.6 13.9 6.1 -12.8 45 48 A V E -AC 9 35A 3 -36,-2.6 -36,-2.0 -2,-0.4 2,-0.4 -0.916 11.4-158.2-109.9 136.8 17.2 6.0 -10.9 46 49 A L E -AC 8 34A 7 -12,-2.7 -13,-2.3 -2,-0.4 -12,-1.6 -0.969 9.0-174.9-123.9 131.9 18.4 9.2 -9.2 47 50 A V E -AC 7 32A 0 -40,-2.2 -40,-3.2 -2,-0.4 2,-0.4 -0.921 7.7-157.8-122.6 146.7 21.9 10.1 -8.1 48 51 A R E +AC 6 31A 25 -17,-2.2 -17,-2.9 -2,-0.3 2,-0.3 -0.957 34.9 110.3-121.0 144.8 23.2 13.1 -6.2 49 52 A G E -AC 5 30A 2 -44,-1.3 -44,-2.0 -2,-0.4 -19,-0.1 -0.969 66.9 -42.2 177.9-171.1 26.8 14.5 -6.2 50 53 A E > - 0 0 111 -21,-0.5 4,-2.9 -2,-0.3 5,-0.3 -0.340 63.3-103.6 -70.8 160.5 28.9 17.4 -7.4 51 54 A T H > S+ 0 0 66 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.920 120.2 44.6 -53.1 -55.8 28.3 18.8 -10.9 52 55 A G H > S+ 0 0 49 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.883 114.7 50.5 -59.8 -40.7 31.3 17.2 -12.6 53 56 A A H > S+ 0 0 20 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.943 112.2 45.3 -61.2 -50.0 30.6 13.8 -10.8 54 57 A V H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.881 111.1 55.4 -63.8 -37.3 26.9 13.8 -11.8 55 58 A N H X S+ 0 0 63 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.963 113.0 40.2 -57.5 -53.7 27.9 14.8 -15.4 56 59 A A H X S+ 0 0 47 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.912 116.0 52.4 -63.2 -43.2 30.3 11.9 -15.8 57 60 A A H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.952 109.5 46.3 -57.3 -54.5 27.9 9.5 -14.0 58 61 A V H X S+ 0 0 8 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.905 112.2 51.7 -60.4 -41.7 24.9 10.3 -16.2 59 62 A R H X S+ 0 0 183 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.905 113.3 44.9 -61.9 -41.1 26.9 10.0 -19.4 60 63 A A H X S+ 0 0 29 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.925 113.1 49.0 -67.8 -48.6 28.2 6.6 -18.3 61 64 A G H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.903 110.8 51.7 -58.4 -43.2 24.8 5.2 -17.1 62 65 A A H X S+ 0 0 9 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.915 110.4 46.6 -62.0 -46.3 23.2 6.3 -20.4 63 66 A D H < S+ 0 0 110 -4,-1.8 4,-0.2 -5,-0.2 -1,-0.2 0.841 117.1 46.7 -62.3 -36.6 25.9 4.6 -22.6 64 67 A A H >< S+ 0 0 20 -4,-2.0 3,-0.8 1,-0.1 -2,-0.2 0.912 113.0 43.0 -72.4 -48.3 25.5 1.4 -20.5 65 68 A C H >< S+ 0 0 0 -4,-2.8 3,-1.7 1,-0.2 6,-0.2 0.734 93.9 75.5 -84.1 -18.5 21.8 1.0 -20.2 66 69 A E T 3< S+ 0 0 111 -4,-1.4 -1,-0.2 1,-0.3 6,-0.2 0.718 97.9 51.0 -63.7 -17.0 20.7 1.7 -23.8 67 70 A R T < S+ 0 0 220 -3,-0.8 2,-0.5 -4,-0.2 -1,-0.3 0.447 95.9 87.7 -95.0 -2.8 22.0 -1.7 -24.7 68 71 A V S X S- 0 0 41 -3,-1.7 3,-1.8 -4,-0.1 2,-0.0 -0.879 98.3 -52.1-109.7 122.7 20.1 -3.6 -22.0 69 72 A G T 3 S- 0 0 70 -2,-0.5 3,-0.1 1,-0.3 -56,-0.1 -0.286 119.9 -11.0 60.3-133.2 16.5 -4.9 -22.3 70 73 A D T 3 S- 0 0 127 -58,-0.7 -1,-0.3 1,-0.2 -57,-0.1 0.500 104.2-153.8 -82.1 -5.6 13.9 -2.4 -23.5 71 74 A G < - 0 0 5 -3,-1.8 -59,-2.1 -6,-0.2 2,-0.4 -0.252 25.6 -7.2 87.3-157.4 16.5 0.4 -23.0 72 75 A L E +B 11 0A 40 -61,-0.2 -61,-0.2 -6,-0.2 3,-0.1 -0.748 32.5 169.0-100.4 136.5 16.7 4.1 -22.3 73 76 A V E S- 0 0 50 -63,-2.6 2,-0.3 -2,-0.4 -62,-0.2 0.795 71.3 -4.6-104.1 -50.4 14.0 6.7 -22.1 74 77 A A E -B 10 0A 43 -64,-1.7 -64,-2.6 2,-0.0 2,-0.4 -0.996 44.5-169.1-154.1 144.6 15.8 9.7 -20.7 75 78 A A E +B 9 0A 42 -2,-0.3 2,-0.3 -66,-0.2 -66,-0.2 -0.990 29.2 161.4-135.2 121.9 19.1 10.9 -19.3 76 79 A H E -B 8 0A 101 -68,-3.0 -68,-2.6 -2,-0.4 2,-0.4 -0.987 26.0-156.0-149.4 149.4 19.2 14.2 -17.6 77 80 A I E -B 7 0A 51 -2,-0.3 2,-0.5 -70,-0.2 -70,-0.2 -0.990 4.9-173.8-126.3 135.4 21.1 16.4 -15.2 78 81 A I E -B 6 0A 61 -72,-2.4 -72,-2.7 -2,-0.4 3,-0.4 -0.951 10.2-164.6-123.6 109.7 20.0 19.3 -13.0 79 82 A A S S+ 0 0 45 -2,-0.5 2,-0.2 1,-0.3 -75,-0.2 0.731 81.6 13.4 -69.0 -27.9 23.1 20.8 -11.4 80 83 A R S S- 0 0 205 -75,-0.1 -1,-0.3 -74,-0.1 -75,-0.1 -0.749 77.0-156.2-149.1 100.8 21.2 22.8 -8.8 81 84 A V - 0 0 9 -77,-0.6 5,-0.1 -3,-0.4 -3,-0.0 -0.442 34.7 -96.9 -73.0 149.5 17.5 22.0 -8.3 82 85 A H >> - 0 0 126 1,-0.1 3,-1.4 -2,-0.1 4,-0.8 -0.367 35.5-111.7 -61.1 146.2 15.3 24.7 -6.8 83 86 A S T 34 S+ 0 0 88 1,-0.3 3,-0.5 2,-0.2 4,-0.3 0.791 118.6 60.6 -49.2 -31.9 14.9 24.3 -3.0 84 87 A E T >4 S+ 0 0 125 1,-0.2 3,-1.3 2,-0.2 -1,-0.3 0.837 94.9 61.3 -63.6 -36.6 11.2 23.4 -3.7 85 88 A V G X> S+ 0 0 50 -3,-1.4 3,-2.0 1,-0.3 4,-0.7 0.772 85.8 74.6 -66.5 -24.9 12.2 20.4 -5.8 86 89 A E G >< S+ 0 0 55 -4,-0.8 3,-0.8 -3,-0.5 -1,-0.3 0.814 84.0 70.2 -54.7 -29.9 13.9 18.8 -2.8 87 90 A N G <4 S+ 0 0 112 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.682 105.2 37.5 -60.1 -24.7 10.3 18.1 -1.6 88 91 A I G <4 S+ 0 0 132 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.437 96.0 98.1-107.4 -3.9 9.8 15.5 -4.3 89 92 A L S << S- 0 0 12 -3,-0.8 2,-0.1 -4,-0.7 -55,-0.0 -0.735 76.8-116.9 -92.0 134.8 13.3 13.9 -4.4 90 93 A P - 0 0 22 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.411 12.5-155.2 -66.5 137.7 13.9 10.7 -2.5 91 94 A K S S- 0 0 136 1,-0.3 -57,-0.1 -2,-0.1 -2,-0.0 0.763 80.1 -8.0 -81.8 -29.0 16.4 10.8 0.4 92 95 A A S S- 0 0 71 -59,-0.1 -1,-0.3 -57,-0.0 -59,-0.2 -0.950 81.2-107.4-161.1 149.7 17.3 7.1 0.2 93 96 A P - 0 0 60 0, 0.0 2,-0.5 0, 0.0 -59,-0.1 -0.309 23.6-124.9 -80.7 171.8 15.8 4.3 -1.9 94 97 A Q 0 0 164 -59,-0.3 -59,-0.1 1,-0.1 -60,-0.0 -0.982 360.0 360.0-112.9 129.2 13.6 1.5 -0.6 95 98 A A 0 0 142 -2,-0.5 -1,-0.1 0, 0.0 0, 0.0 0.618 360.0 360.0-124.0 360.0 14.7 -2.1 -1.4