==== 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 ELECTRON TRANSPORT 20-SEP-01 1K0T . COMPND 2 MOLECULE: PSAC SUBUNIT OF PHOTOSYSTEM I; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCOCCUS SP.; . AUTHOR M.L.ANTONKINE,G.LIU,D.BENTROP,D.A.BRYANT,I.BERTINI,C.LUCHINA . 80 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5888.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 24 30.0 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 . 5 6.2 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 . 0 0.0 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 . 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 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 0 0 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A S 0 0 65 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 132.3 -3.4 -3.4 10.9 2 2 A H - 0 0 85 1,-0.2 64,-0.2 54,-0.2 63,-0.1 -0.996 360.0 -3.1-144.9 144.9 -0.5 -5.7 10.2 3 3 A S - 0 0 2 -2,-0.3 -1,-0.2 1,-0.1 53,-0.2 0.301 45.6-160.2 57.3 164.3 2.0 -6.1 7.4 4 4 A V + 0 0 31 -3,-0.1 37,-0.3 37,-0.1 3,-0.2 0.044 27.7 158.2-169.5 35.1 1.9 -4.1 4.2 5 5 A K - 0 0 78 58,-0.2 2,-1.1 1,-0.2 36,-0.2 0.188 61.5 -64.6 -55.1-174.7 3.8 -6.0 1.7 6 6 A I S S+ 0 0 74 34,-0.2 2,-0.3 35,-0.1 -1,-0.2 -0.700 75.2 155.8 -82.9 101.9 3.3 -5.4 -2.0 7 7 A Y - 0 0 26 -2,-1.1 2,-0.5 32,-0.2 54,-0.0 -0.926 53.6-125.5-129.3 153.6 -0.3 -6.6 -2.6 8 8 A D + 0 0 76 -2,-0.3 2,-1.0 30,-0.1 32,-0.1 -0.203 65.2 133.9 -88.5 42.3 -2.9 -5.8 -5.2 9 9 A T + 0 0 15 -2,-0.5 2,-0.3 30,-0.2 -2,-0.1 -0.792 26.5 122.7 -98.5 94.5 -5.3 -4.9 -2.5 10 10 A C + 0 0 45 -2,-1.0 30,-0.0 1,-0.1 -2,-0.0 -0.988 21.5 159.7-152.2 145.5 -6.9 -1.6 -3.5 11 11 A I S S- 0 0 127 -2,-0.3 -1,-0.1 22,-0.0 -2,-0.0 0.554 70.1 -80.2-131.7 -45.7 -10.5 -0.4 -4.0 12 12 A G S S+ 0 0 61 3,-0.1 -2,-0.0 21,-0.0 21,-0.0 0.512 84.7 124.3 137.7 45.3 -10.4 3.4 -3.8 13 13 A C - 0 0 48 2,-0.2 3,-0.1 1,-0.0 -3,-0.0 0.708 58.6-144.1 -95.6 -27.7 -10.4 4.4 -0.1 14 14 A T > + 0 0 84 1,-0.3 3,-1.3 4,-0.0 -1,-0.0 -0.048 57.1 129.4 87.5 -31.8 -7.2 6.4 -0.5 15 15 A Q T 3 + 0 0 65 1,-0.2 2,-0.5 2,-0.2 -1,-0.3 -0.156 66.2 27.0 -54.7 149.2 -6.2 5.3 3.0 16 16 A C T 3 S+ 0 0 14 37,-0.2 9,-0.3 36,-0.1 -1,-0.2 -0.207 110.8 72.8 89.3 -42.3 -2.7 3.9 3.3 17 17 A V S < S+ 0 0 55 -3,-1.3 -2,-0.2 -2,-0.5 3,-0.1 0.067 104.5 39.6 -89.8 23.5 -1.7 6.0 0.3 18 18 A R S S+ 0 0 184 1,-0.1 2,-1.9 35,-0.0 -1,-0.1 0.549 95.3 73.0-133.2 -51.4 -1.9 9.0 2.6 19 19 A A S S+ 0 0 26 33,-0.1 33,-0.2 34,-0.1 -1,-0.1 -0.555 76.8 92.5 -75.8 84.8 -0.5 8.1 6.0 20 20 A C - 0 0 22 -2,-1.9 3,-0.4 32,-0.2 -1,-0.1 -0.425 43.0-179.1-178.9 93.6 3.2 8.0 5.0 21 21 A P S S+ 0 0 95 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.566 92.3 54.9 -75.0 -9.2 5.5 11.1 5.3 22 22 A L S S- 0 0 59 24,-0.1 24,-0.1 -3,-0.0 -3,-0.0 0.655 110.6-125.0 -94.2 -21.4 8.2 8.9 3.8 23 23 A D + 0 0 106 -3,-0.4 23,-0.2 -5,-0.1 3,-0.1 0.990 56.2 146.0 72.6 74.6 6.2 8.0 0.8 24 24 A V + 0 0 10 1,-0.2 2,-1.4 20,-0.1 19,-0.2 0.838 52.2 69.0-102.1 -64.3 6.2 4.2 0.8 25 25 A L S S+ 0 0 16 -9,-0.3 16,-0.3 16,-0.2 -1,-0.2 -0.432 74.2 157.8 -62.6 92.2 2.8 3.1 -0.5 26 26 A E E -A 40 0A 98 14,-2.6 14,-2.2 -2,-1.4 2,-0.4 -0.324 46.1 -71.7-106.2-170.1 3.4 4.2 -4.1 27 27 A M E +A 39 0A 134 12,-0.2 12,-0.2 -2,-0.1 -1,-0.1 -0.727 50.9 178.1 -91.0 134.7 1.9 3.2 -7.4 28 28 A V E -A 38 0A 14 10,-2.3 2,-0.6 -2,-0.4 10,-0.6 -0.773 40.5 -75.9-128.0 172.5 2.8 -0.2 -8.9 29 29 A P E +A 37 0A 124 0, 0.0 2,-0.3 0, 0.0 8,-0.3 -0.606 64.7 149.5 -75.0 117.1 1.8 -2.2 -12.0 30 30 A W - 0 0 91 6,-2.2 -3,-0.0 -2,-0.6 -22,-0.0 -0.838 43.6-142.8-138.9 174.2 -1.6 -3.6 -11.6 31 31 A D S S+ 0 0 151 -2,-0.3 3,-0.1 -23,-0.1 -23,-0.0 -0.438 86.6 57.3-141.3 60.9 -4.6 -4.6 -13.8 32 32 A G S S+ 0 0 54 1,-0.0 6,-0.0 0, 0.0 2,-0.0 0.351 80.7 87.2-155.9 -32.0 -7.7 -3.7 -11.8 33 33 A C S > S- 0 0 43 1,-0.1 3,-1.8 2,-0.0 5,-0.1 -0.232 91.7-103.3 -74.4 168.8 -7.5 -0.0 -11.0 34 34 A K T 3 S+ 0 0 211 1,-0.3 -1,-0.1 3,-0.1 -3,-0.0 0.746 129.8 35.9 -64.2 -23.3 -8.8 2.6 -13.3 35 35 A A T 3 S- 0 0 77 2,-0.3 -1,-0.3 0, 0.0 -5,-0.2 0.004 116.7-113.9-116.8 23.8 -5.2 3.2 -14.2 36 36 A G S < S+ 0 0 28 -3,-1.8 -6,-2.2 1,-0.1 2,-0.3 0.885 81.2 117.7 42.2 51.6 -4.2 -0.4 -13.9 37 37 A Q E -A 29 0A 59 -8,-0.3 2,-0.3 -29,-0.0 -2,-0.3 -0.929 50.8-154.7-151.4 121.8 -2.0 0.4 -10.9 38 38 A I E -A 28 0A 3 -10,-0.6 -10,-2.3 -2,-0.3 2,-0.9 -0.739 27.0-115.0 -97.8 145.2 -2.3 -0.8 -7.4 39 39 A A E +A 27 0A 13 -2,-0.3 -12,-0.2 -12,-0.2 2,-0.2 -0.702 57.7 142.9 -82.2 106.8 -1.0 1.2 -4.4 40 40 A S E -A 26 0A 2 -14,-2.2 -14,-2.6 -2,-0.9 3,-0.2 -0.750 56.5-107.6-134.2-179.8 1.8 -0.9 -2.9 41 41 A S + 0 0 4 -37,-0.3 3,-0.3 -16,-0.3 -16,-0.2 -0.743 50.1 148.0-117.2 81.0 5.2 -0.4 -1.3 42 42 A P S S+ 0 0 43 0, 0.0 2,-1.4 0, 0.0 -1,-0.2 0.976 72.4 42.2 -75.0 -61.2 7.8 -1.7 -3.9 43 43 A R > + 0 0 181 -19,-0.2 3,-0.6 -3,-0.2 -3,-0.0 -0.659 63.7 161.3 -90.9 81.6 10.7 0.6 -3.1 44 44 A T T 3 + 0 0 49 -2,-1.4 -1,-0.2 -3,-0.3 -20,-0.1 0.116 33.3 123.1 -86.5 21.1 10.6 0.5 0.7 45 45 A E T 3 S+ 0 0 134 1,-0.2 2,-0.6 -21,-0.1 -1,-0.2 0.796 73.0 51.9 -51.2 -30.4 14.2 1.7 0.7 46 46 A D S < S+ 0 0 93 -3,-0.6 -1,-0.2 -23,-0.2 2,-0.1 -0.932 81.6 93.0-115.3 108.9 12.9 4.6 2.8 47 47 A C - 0 0 40 -2,-0.6 -3,-0.0 30,-0.2 -27,-0.0 -0.400 41.5-167.5 166.0 112.0 10.9 3.5 5.8 48 48 A V - 0 0 107 -2,-0.1 29,-0.1 30,-0.0 30,-0.1 -0.283 66.6 -88.9-104.5 44.3 12.0 3.0 9.4 49 49 A G - 0 0 51 28,-0.1 2,-0.1 1,-0.1 -2,-0.0 0.944 67.2-177.0 47.9 61.1 8.8 1.3 10.4 50 50 A C - 0 0 46 1,-0.1 2,-1.0 0, 0.0 3,-0.2 -0.316 33.9-108.0 -82.2 169.5 7.1 4.5 11.4 51 51 A K S S+ 0 0 171 1,-0.1 -31,-0.1 2,-0.1 -1,-0.1 -0.761 89.1 85.3-103.2 85.7 3.6 4.7 12.9 52 52 A R S S+ 0 0 149 -2,-1.0 -32,-0.2 -33,-0.2 -1,-0.1 0.420 75.2 54.4-141.0 -63.8 1.5 6.2 10.1 53 53 A C + 0 0 20 -3,-0.2 -37,-0.2 1,-0.1 -34,-0.1 0.926 55.0 135.4 -42.4 -87.5 0.2 3.6 7.6 54 54 A E + 0 0 119 1,-0.2 -1,-0.1 -38,-0.1 -50,-0.1 0.816 61.1 78.7 36.0 41.7 -1.5 1.3 10.1 55 55 A T + 0 0 37 -36,-0.1 2,-1.5 -39,-0.0 -1,-0.2 0.080 52.0 160.6-161.8 27.1 -4.3 1.4 7.5 56 56 A A S > S- 0 0 3 -53,-0.2 3,-0.5 -40,-0.1 -54,-0.2 -0.416 72.5 -59.7 -61.7 90.5 -3.2 -1.0 4.8 57 57 A C T 3 S- 0 0 14 -2,-1.5 -47,-0.1 -42,-0.2 -41,-0.0 0.177 79.8 -64.3 53.0 176.5 -6.7 -1.6 3.3 58 58 A P T 3 S- 0 0 81 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.395 70.9-110.4 -75.1 4.0 -9.4 -3.1 5.5 59 59 A T S < S+ 0 0 51 -3,-0.5 -2,-0.1 -4,-0.1 -3,-0.0 0.311 83.5 132.5 83.2 -8.3 -7.3 -6.2 5.7 60 60 A D S S+ 0 0 138 -51,-0.0 -3,-0.1 1,-0.0 -1,-0.1 0.765 89.4 5.0 -44.3 -27.0 -9.9 -7.9 3.5 61 61 A F S S+ 0 0 121 2,-0.1 -4,-0.0 -52,-0.1 3,-0.0 0.457 73.8 136.0-120.2 -98.6 -6.8 -9.0 1.6 62 62 A L S S- 0 0 15 1,-0.1 3,-0.2 2,-0.1 4,-0.1 0.899 70.8-104.2 38.2 89.1 -3.2 -8.2 2.7 63 63 A S > - 0 0 73 1,-0.2 2,-1.5 2,-0.1 3,-0.6 -0.035 38.9 -98.1 -39.5 135.6 -1.7 -11.6 2.1 64 64 A I T 3 S+ 0 0 150 1,-0.2 -1,-0.2 -61,-0.0 -2,-0.1 -0.452 89.9 110.9 -64.1 91.9 -1.2 -13.5 5.3 65 65 A R T 3 - 0 0 138 -2,-1.5 -1,-0.2 -3,-0.2 -62,-0.1 0.563 57.1-154.6-131.4 -42.3 2.5 -12.6 5.9 66 66 A V < + 0 0 59 -3,-0.6 3,-0.1 -64,-0.2 4,-0.1 0.569 31.3 148.2 65.6 136.9 2.6 -10.2 8.8 67 67 A Y >> + 0 0 82 1,-0.3 3,-2.2 3,-0.1 4,-0.9 0.185 34.7 100.2-159.3 -63.6 5.5 -7.8 9.2 68 68 A L T 34 S- 0 0 52 1,-0.3 -1,-0.3 2,-0.2 -65,-0.1 -0.141 115.2 -17.5 -43.3 124.2 4.6 -4.5 10.9 69 69 A G T 34 S+ 0 0 77 7,-0.1 -1,-0.3 1,-0.1 7,-0.0 0.858 120.7 100.5 36.9 51.9 5.8 -4.8 14.5 70 70 A A T <4 S- 0 0 44 -3,-2.2 -2,-0.2 -4,-0.1 -1,-0.1 0.636 95.4 -2.4-122.7 -64.2 5.9 -8.6 14.0 71 71 A E < + 0 0 116 -4,-0.9 5,-0.1 4,-0.1 -3,-0.1 0.869 65.0 166.2 -98.1 -58.1 9.5 -9.7 13.3 72 72 A T + 0 0 64 -5,-0.4 -4,-0.0 3,-0.1 -5,-0.0 0.859 45.5 111.0 38.4 48.8 11.5 -6.5 13.3 73 73 A T S S- 0 0 100 3,-0.0 -1,-0.1 6,-0.0 6,-0.1 0.759 93.7 -2.7-111.7 -54.6 14.6 -8.7 13.5 74 74 A R S S+ 0 0 175 2,-0.1 3,-0.2 1,-0.0 -2,-0.0 0.583 139.6 48.2-113.5 -22.2 16.4 -8.5 10.2 75 75 A S S S+ 0 0 54 1,-0.2 -3,-0.1 4,-0.1 -4,-0.1 0.062 71.4 130.2-106.0 21.3 14.0 -6.2 8.4 76 76 A M S S- 0 0 123 1,-0.1 -1,-0.2 -5,-0.1 -7,-0.1 0.891 89.8 -79.4 -37.5 -62.1 13.8 -3.8 11.3 77 77 A G S S+ 0 0 13 -3,-0.2 -30,-0.2 -29,-0.1 -1,-0.1 0.154 118.4 19.3-176.6 -38.5 14.4 -0.8 9.1 78 78 A L S S+ 0 0 138 -30,-0.1 -30,-0.0 0, 0.0 -4,-0.0 0.701 107.0 73.0-115.0 -44.0 18.1 -0.6 8.3 79 79 A A 0 0 66 -6,-0.1 -4,-0.1 0, 0.0 -5,-0.0 0.787 360.0 360.0 -42.8 -30.7 19.3 -4.1 9.1 80 80 A Y 0 0 126 0, 0.0 -5,-0.1 0, 0.0 -3,-0.0 -0.163 360.0 360.0 -70.5 360.0 17.5 -4.9 5.9