==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 29-APR-09 3H8Y . COMPND 2 MOLECULE: MAJOR CARBOXYSOME SHELL PROTEIN 1C; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOTHIOBACILLUS NEAPOLITANUS; . AUTHOR Y.TSAI,M.R.SAWAYA,T.O.YEATES . 95 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5704.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 72 75.8 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 . 25 26.3 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 . 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 . 1 1.1 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 . 7 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 10.5 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 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 2 0 1 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 85 0, 0.0 48,-0.1 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 -79.8 30.4 -13.3 -11.1 2 5 A T + 0 0 109 1,-0.1 2,-0.1 46,-0.1 47,-0.1 0.707 360.0 146.1 52.9 39.8 27.7 -16.1 -11.3 3 6 A G - 0 0 5 45,-0.1 47,-0.4 47,-0.1 -1,-0.1 -0.461 37.5-149.3 -81.0 173.3 27.4 -17.6 -7.8 4 7 A I + 0 0 73 45,-0.2 77,-0.5 75,-0.2 46,-0.2 0.385 53.6 116.2-129.1 7.1 23.9 -18.7 -6.9 5 8 A A E -A 49 0A 1 44,-2.4 44,-0.7 75,-0.1 2,-0.4 -0.149 60.2-128.9 -59.6 170.2 23.7 -18.3 -3.1 6 9 A L E -AB 48 78A 3 72,-0.9 72,-1.5 42,-0.2 2,-0.4 -0.988 18.9-167.7-132.8 129.5 21.2 -15.7 -1.9 7 10 A G E +AB 47 77A 0 40,-2.6 40,-1.9 -2,-0.4 2,-0.4 -0.938 13.9 178.9-106.2 138.2 21.7 -12.9 0.5 8 11 A M E +AB 46 76A 47 68,-1.9 68,-2.4 -2,-0.4 2,-0.4 -0.989 12.5 179.9-143.0 131.5 18.7 -11.0 1.8 9 12 A I E -AB 45 75A 0 36,-1.7 36,-1.8 -2,-0.4 2,-0.4 -0.999 12.9-157.9-130.0 132.6 18.2 -8.2 4.2 10 13 A E E +AB 44 74A 58 64,-1.5 63,-3.9 -2,-0.4 64,-1.0 -0.904 17.6 177.2-114.7 138.2 14.8 -6.8 5.1 11 14 A T E -AB 43 72A 0 32,-3.0 32,-1.2 -2,-0.4 2,-0.5 -0.706 37.2-120.8-132.2 175.0 14.3 -3.3 6.4 12 15 A R E S+A 42 0A 118 59,-1.8 58,-0.9 30,-0.2 59,-0.2 -0.918 92.7 19.0-120.5 97.1 11.8 -0.8 7.6 13 16 A G S > S- 0 0 29 28,-1.7 4,-0.6 -2,-0.5 30,-0.3 -0.272 79.1-112.0 120.6 151.2 12.5 2.1 5.2 14 17 A L H > S+ 0 0 65 2,-0.2 4,-3.2 -2,-0.2 5,-0.2 0.750 111.4 66.8 -78.5 -33.2 14.3 2.4 1.9 15 18 A V H > S+ 0 0 105 1,-0.2 4,-1.3 2,-0.2 5,-0.2 0.929 103.6 42.3 -61.1 -45.3 17.1 4.4 3.5 16 19 A P H > S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.871 113.1 57.6 -62.7 -35.3 18.3 1.5 5.7 17 20 A A H X S+ 0 0 1 -4,-0.6 4,-3.0 1,-0.2 -2,-0.2 0.944 103.7 50.4 -59.1 -47.7 17.8 -0.6 2.6 18 21 A I H X S+ 0 0 101 -4,-3.2 4,-2.0 2,-0.2 -1,-0.2 0.820 111.0 47.6 -67.6 -29.1 20.1 1.4 0.5 19 22 A E H X S+ 0 0 77 -4,-1.3 4,-3.4 2,-0.2 5,-0.3 0.922 114.7 46.9 -71.3 -49.8 22.9 1.4 3.1 20 23 A A H >X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 3,-0.9 0.989 110.7 52.4 -45.6 -74.8 22.5 -2.3 3.4 21 24 A A H 3X S+ 0 0 18 -4,-3.0 4,-1.4 1,-0.3 -2,-0.2 0.780 117.5 39.5 -30.9 -48.0 22.4 -2.6 -0.4 22 25 A D H 3X S+ 0 0 52 -4,-2.0 4,-1.8 2,-0.2 -1,-0.3 0.835 113.2 49.6 -78.1 -38.6 25.7 -0.7 -0.6 23 26 A A H S+ 0 0 50 3,-0.5 3,-0.7 2,-0.0 -1,-0.2 0.103 94.9 62.1 73.6 152.5 4.1 -2.6 0.9 40 43 A G T 3 S- 0 0 93 1,-0.2 3,-0.1 -3,-0.1 -1,-0.0 0.342 126.9 -70.4 81.0 -8.1 3.6 -1.7 4.6 41 44 A G T 3 S+ 0 0 43 1,-0.5 -28,-1.7 -29,-0.0 -1,-0.2 -0.071 97.2 122.6 119.9 -25.3 7.1 -0.3 4.8 42 45 A Y E < -A 12 0A 116 -3,-0.7 -4,-1.9 -30,-0.2 -1,-0.5 -0.399 37.6-171.8 -62.1 144.1 9.4 -3.2 4.6 43 46 A V E -AC 11 37A 6 -32,-1.2 -32,-3.0 -30,-0.3 2,-0.3 -0.986 6.0-155.8-133.2 140.4 11.8 -3.1 1.7 44 47 A T E -AC 10 36A 19 -8,-2.1 -8,-2.1 -2,-0.4 2,-0.4 -0.858 3.7-158.6-114.9 152.0 14.0 -6.1 0.9 45 48 A V E -AC 9 35A 0 -36,-1.8 -36,-1.7 -2,-0.3 2,-0.4 -0.968 11.3-164.0-129.2 143.6 17.3 -6.1 -0.9 46 49 A L E +AC 8 34A 17 -12,-2.6 -13,-2.3 -2,-0.4 -12,-1.5 -0.987 9.2 176.3-140.3 129.1 18.7 -9.2 -2.7 47 50 A V E -AC 7 32A 0 -40,-1.9 -40,-2.6 -2,-0.4 2,-0.3 -0.961 13.4-148.8-137.5 145.9 22.1 -10.3 -4.0 48 51 A R E +AC 6 31A 15 -17,-2.0 -17,-2.9 -2,-0.3 2,-0.3 -0.860 34.9 113.3-120.5 153.2 23.8 -13.3 -5.6 49 52 A G E -A 5 0A 0 -44,-0.7 -44,-2.4 -2,-0.3 -45,-0.2 -0.911 65.7 -47.0-177.8-175.2 27.2 -14.7 -5.4 50 53 A E > - 0 0 119 -21,-0.5 4,-2.0 -47,-0.4 5,-0.2 -0.332 63.4-101.0 -69.0 172.4 29.2 -17.6 -4.2 51 54 A T H > S+ 0 0 66 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.917 118.8 45.4 -76.6 -48.1 28.6 -18.8 -0.6 52 55 A G H > S+ 0 0 53 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.946 115.4 50.0 -55.3 -49.8 31.6 -17.3 1.2 53 56 A A H > S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.829 113.4 44.2 -60.4 -39.6 31.0 -14.0 -0.7 54 57 A V H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.706 107.9 58.0 -83.9 -23.1 27.3 -13.9 0.2 55 58 A N H X S+ 0 0 56 -4,-1.9 4,-1.4 -3,-0.2 -2,-0.2 0.917 111.6 43.1 -66.9 -43.5 27.9 -14.9 3.9 56 59 A A H X S+ 0 0 44 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.957 107.4 59.5 -69.5 -52.0 30.1 -11.9 4.3 57 60 A A H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.877 107.9 44.9 -37.5 -54.5 27.9 -9.5 2.4 58 61 A V H X S+ 0 0 8 -4,-1.3 4,-3.6 2,-0.2 -1,-0.2 0.882 110.1 52.4 -69.5 -42.9 24.9 -10.0 4.7 59 62 A R H X S+ 0 0 173 -4,-1.4 4,-2.0 -3,-0.2 -1,-0.2 0.948 115.4 43.0 -52.1 -50.9 26.9 -9.7 8.0 60 63 A A H < S+ 0 0 42 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.910 115.0 49.5 -66.5 -43.0 28.4 -6.5 6.8 61 64 A G H >X S+ 0 0 0 -4,-3.0 4,-1.0 -5,-0.3 3,-0.7 0.887 108.4 55.8 -63.6 -42.0 25.0 -5.3 5.5 62 65 A A H >X S+ 0 0 20 -4,-3.6 4,-1.6 1,-0.2 3,-1.5 0.992 108.8 41.6 -52.1 -69.9 23.3 -6.2 8.8 63 66 A D H 3< S+ 0 0 123 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.475 108.5 65.5 -72.3 8.9 25.4 -4.2 11.2 64 67 A A H <4 S+ 0 0 32 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.762 113.7 24.4 -93.6 -32.3 25.5 -1.3 8.8 65 68 A C H X< S+ 0 0 0 -3,-1.5 3,-2.9 -4,-1.0 -2,-0.2 0.567 87.1 105.6-108.0 -13.4 21.7 -0.4 8.9 66 69 A E T 3< S+ 0 0 102 -4,-1.6 6,-0.3 1,-0.3 -1,-0.1 0.662 98.9 27.9 -45.4 -18.5 20.8 -1.8 12.3 67 70 A R T 3 S+ 0 0 231 4,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.354 96.0 108.1-127.3 6.5 20.7 1.8 13.5 68 71 A V S X S- 0 0 40 -3,-2.9 3,-1.9 -52,-0.1 -3,-0.0 -0.702 94.0 -44.8 -82.2 131.1 19.8 3.6 10.2 69 72 A G T 3 S- 0 0 65 -2,-0.4 -56,-0.1 1,-0.3 3,-0.1 -0.156 125.6 -14.0 48.5-131.1 16.2 5.0 10.1 70 73 A D T 3 S- 0 0 129 -58,-0.9 -1,-0.3 1,-0.2 -57,-0.1 0.483 106.0-140.5 -88.2 -1.1 13.7 2.5 11.4 71 74 A G < - 0 0 6 -3,-1.9 -59,-1.8 -59,-0.2 2,-0.3 -0.286 28.4 -19.2 97.1-166.2 16.2 -0.4 11.2 72 75 A L E -B 11 0A 34 -6,-0.3 -61,-0.3 -61,-0.2 3,-0.1 -0.643 34.4-179.5 -96.0 143.8 16.7 -4.0 10.3 73 76 A V E - 0 0 50 -63,-3.9 2,-0.3 1,-0.5 -62,-0.2 0.812 66.8 -22.5-106.5 -60.6 14.0 -6.6 10.0 74 77 A A E -B 10 0A 46 -64,-1.0 -64,-1.5 2,-0.0 -1,-0.5 -0.818 46.9-159.8-139.2-178.7 15.8 -9.8 9.0 75 78 A A E +B 9 0A 45 -2,-0.3 2,-0.3 -66,-0.2 -66,-0.2 -0.790 28.9 158.7-168.7 123.1 19.0 -10.8 7.5 76 79 A H E -B 8 0A 113 -68,-2.4 -68,-1.9 -2,-0.3 2,-0.4 -0.993 28.2-145.7-164.9 146.4 19.2 -14.3 6.0 77 80 A I E -B 7 0A 45 -2,-0.3 2,-0.6 -70,-0.2 -70,-0.2 -0.983 5.1-169.2-128.7 124.6 21.1 -16.6 3.6 78 81 A I E -B 6 0A 58 -72,-1.5 -72,-0.9 -2,-0.4 3,-0.4 -0.891 12.1-162.9-108.0 99.8 19.9 -19.5 1.4 79 82 A A S S+ 0 0 51 -2,-0.6 -75,-0.2 1,-0.3 2,-0.2 0.657 80.1 10.4 -56.6 -23.5 23.1 -21.0 0.2 80 83 A R S S- 0 0 195 -75,-0.1 -1,-0.3 -74,-0.1 -75,-0.1 -0.621 72.3-160.5-160.4 103.7 21.2 -22.7 -2.6 81 84 A V - 0 0 12 -77,-0.5 2,-0.3 -3,-0.4 3,-0.0 -0.137 28.3-107.7 -75.4 174.6 17.7 -22.2 -3.6 82 85 A H >> - 0 0 132 1,-0.1 3,-1.3 0, 0.0 4,-0.8 -0.806 26.8-116.1-103.3 150.0 15.7 -24.7 -5.5 83 86 A S H >> S+ 0 0 90 -2,-0.3 3,-0.9 1,-0.3 4,-0.6 0.842 115.5 66.0 -60.2 -30.2 14.9 -23.9 -9.1 84 87 A E H >4 S+ 0 0 135 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.939 102.4 49.0 -53.2 -42.3 11.2 -23.8 -8.2 85 88 A V H X> S+ 0 0 58 -3,-1.3 3,-1.7 1,-0.2 4,-0.6 0.677 91.9 73.7 -75.5 -16.8 12.1 -20.7 -6.1 86 89 A E H << S+ 0 0 50 -3,-0.9 -1,-0.2 -4,-0.8 3,-0.2 0.703 80.5 77.8 -74.4 -7.3 14.0 -18.8 -8.8 87 90 A N T << S+ 0 0 130 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.1 0.529 101.2 37.3 -76.4 -5.5 10.7 -18.1 -10.4 88 91 A I T <4 S+ 0 0 134 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.442 98.3 94.8-117.0 -5.0 10.0 -15.5 -7.8 89 92 A L S < S- 0 0 25 -4,-0.6 -55,-0.0 -3,-0.2 -43,-0.0 -0.747 74.6-128.5 -86.7 129.8 13.6 -14.2 -7.7 90 93 A P - 0 0 51 0, 0.0 -2,-0.1 0, 0.0 -57,-0.1 -0.233 2.6-144.6 -70.8 162.4 14.3 -11.2 -9.9 91 94 A K S S- 0 0 164 1,-0.5 -57,-0.1 -59,-0.0 -2,-0.0 0.839 82.8 -5.3 -93.3 -47.7 17.3 -11.2 -12.3 92 95 A A S S- 0 0 66 -57,-0.0 -1,-0.5 0, 0.0 -59,-0.2 -0.985 84.4-101.2-146.5 148.1 18.2 -7.6 -11.9 93 96 A P - 0 0 52 0, 0.0 2,-0.6 0, 0.0 -59,-0.1 -0.096 34.9-106.2 -67.7 167.5 16.4 -4.8 -10.1 94 97 A E 0 0 168 -59,-0.3 -59,-0.1 1,-0.1 -60,-0.0 -0.881 360.0 360.0 -96.3 116.8 14.2 -2.2 -11.7 95 98 A A 0 0 150 -2,-0.6 -1,-0.1 -3,-0.0 0, 0.0 0.764 360.0 360.0 -74.1 360.0 16.1 1.1 -11.8