==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTON TRANSPORT 29-JAN-10 3ADY . COMPND 2 MOLECULE: DOTD; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA; . AUTHOR K.IMADA,N.NAKANO,T.KUBORI,M.KINOSHITA,H.NAGAI . 102 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6016.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 64 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 19.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 6 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 20.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.0 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 1 1 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 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 PARALLEL BRIDGES PER LADDER . 0 1 0 0 0 1 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 2 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 37 A A 0 0 21 0, 0.0 2,-0.3 0, 0.0 35,-0.0 0.000 360.0 360.0 360.0 177.1 7.5 49.9 11.8 2 38 A T + 0 0 51 2,-0.0 26,-0.4 26,-0.0 2,-0.3 -0.972 360.0 178.9-149.4 130.8 7.4 53.7 11.2 3 39 A I - 0 0 12 -2,-0.3 2,-0.8 24,-0.1 24,-0.2 -0.946 25.3-133.0-130.3 149.4 9.9 56.5 11.7 4 40 A K E -A 26 0A 123 22,-3.0 22,-1.7 -2,-0.3 -2,-0.0 -0.805 23.5-148.6-105.8 92.9 9.8 60.3 11.1 5 41 A L E A 25 0A 85 -2,-0.8 20,-0.2 20,-0.2 18,-0.0 -0.300 360.0 360.0 -59.0 139.2 12.9 61.4 9.3 6 42 A A 0 0 109 18,-2.5 18,-0.1 0, 0.0 -1,-0.1 -0.340 360.0 360.0 -99.1 360.0 14.0 65.0 10.2 7 ! 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 8 66 A S 0 0 155 0, 0.0 71,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -20.6 26.3 45.7 28.2 9 67 A K - 0 0 57 70,-0.1 2,-0.3 1,-0.1 73,-0.1 -0.290 360.0-118.4 -54.6 127.1 27.5 43.9 25.1 10 68 A D + 0 0 103 1,-0.1 4,-0.2 2,-0.0 3,-0.1 -0.545 34.1 175.7 -74.0 128.3 29.9 46.1 23.1 11 69 A N > + 0 0 7 -2,-0.3 4,-2.4 1,-0.1 -1,-0.1 -0.009 43.9 114.7-120.4 27.1 28.8 47.0 19.6 12 70 A T T 4 S+ 0 0 78 1,-0.2 5,-0.1 2,-0.2 -1,-0.1 0.917 92.3 26.4 -63.1 -44.4 31.6 49.4 18.7 13 71 A L T 4 S+ 0 0 145 -3,-0.1 -1,-0.2 1,-0.1 76,-0.1 0.753 123.2 52.7 -89.6 -28.5 32.8 47.1 15.9 14 72 A T T 4 S+ 0 0 43 1,-0.3 75,-3.6 -4,-0.2 -2,-0.2 0.877 123.7 25.9 -75.0 -38.1 29.5 45.4 15.3 15 73 A I S < S+ 0 0 0 -4,-2.4 -1,-0.3 73,-0.2 -2,-0.1 -0.618 82.8 171.1-126.0 72.1 27.6 48.6 14.8 16 74 A P - 0 0 29 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.247 43.6 -82.8 -74.5 169.2 30.1 51.3 13.6 17 75 A N - 0 0 130 -5,-0.1 2,-0.3 3,-0.0 3,-0.1 -0.420 45.8-175.3 -73.2 149.9 29.1 54.7 12.4 18 76 A A > - 0 0 13 1,-0.1 3,-1.3 -2,-0.1 4,-0.4 -0.989 32.7-119.2-146.1 138.5 27.9 55.1 8.8 19 77 A Y G > S+ 0 0 187 -2,-0.3 3,-1.9 1,-0.3 4,-0.3 0.877 111.3 49.6 -47.2 -52.7 27.0 58.3 7.0 20 78 A N G > S+ 0 0 39 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.755 105.2 60.1 -62.4 -23.5 23.4 57.4 6.2 21 79 A L G < S+ 0 0 0 -3,-1.3 50,-2.4 1,-0.2 49,-0.3 0.462 86.3 76.0 -83.1 -1.5 22.8 56.4 9.8 22 80 A Q G < + 0 0 131 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.2 0.692 69.5 114.4 -79.9 -19.0 23.6 59.9 11.0 23 81 A A < - 0 0 41 -3,-0.8 47,-2.1 -4,-0.3 2,-0.3 -0.197 67.6-126.6 -52.7 141.9 20.2 61.0 9.8 24 82 A R E + B 0 69A 106 45,-0.2 -18,-2.5 46,-0.1 2,-0.3 -0.654 31.9 175.4 -95.6 149.9 17.9 62.1 12.6 25 83 A A E -AB 5 68A 1 43,-2.6 43,-1.7 -2,-0.3 2,-0.5 -0.991 30.9-129.1-152.9 159.7 14.4 60.7 13.3 26 84 A S E +A 4 0A 37 -22,-1.7 -22,-3.0 -2,-0.3 2,-0.4 -0.941 32.5 178.5-108.9 129.0 11.5 60.7 15.6 27 85 A V E + B 0 65A 2 38,-2.3 38,-3.0 -2,-0.5 2,-0.3 -0.996 19.5 169.4-138.1 131.8 10.2 57.3 16.7 28 86 A D E + B 0 64A 137 -26,-0.4 2,-0.3 -2,-0.4 36,-0.2 -0.817 42.5 112.2-139.2 91.7 7.4 56.3 19.0 29 87 A W E - B 0 63A 40 34,-2.4 34,-3.0 -2,-0.3 2,-0.3 -0.993 39.2-167.3-164.7 150.7 6.9 52.5 18.6 30 88 A S E + B 0 62A 78 -2,-0.3 32,-0.2 32,-0.2 30,-0.0 -0.979 42.6 78.0-141.8 150.3 7.2 49.2 20.3 31 89 A G E S+ B 0 61A 12 30,-2.3 30,-2.3 -2,-0.3 5,-0.1 -0.965 74.8 12.7 148.3-163.0 7.0 45.7 18.9 32 90 A P E >> - B 0 60A 48 0, 0.0 4,-1.4 0, 0.0 3,-0.6 -0.194 55.9-141.4 -49.8 125.5 9.1 43.1 16.9 33 91 A I H 3> S+ 0 0 1 26,-2.4 4,-2.3 1,-0.2 5,-0.2 0.844 101.2 57.7 -57.7 -37.1 12.8 44.0 16.7 34 92 A E H 3> S+ 0 0 63 25,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.842 102.6 55.2 -64.5 -34.0 12.9 42.8 13.1 35 93 A E H <> S+ 0 0 92 -3,-0.6 4,-1.4 2,-0.2 -2,-0.2 0.945 113.6 36.9 -66.7 -50.2 10.1 45.2 12.0 36 94 A L H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 5,-0.2 0.917 115.8 54.3 -69.9 -42.6 11.8 48.4 13.3 37 95 A T H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.918 108.9 48.4 -58.0 -44.6 15.3 47.3 12.3 38 96 A A H X S+ 0 0 32 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.847 111.4 51.2 -64.9 -33.8 14.2 46.6 8.7 39 97 A R H X S+ 0 0 101 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.906 109.9 48.5 -69.8 -41.8 12.4 50.0 8.6 40 98 A I H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.952 111.7 50.0 -62.9 -48.0 15.5 51.8 9.8 41 99 A A H <>S+ 0 0 0 -4,-2.5 5,-3.0 1,-0.2 3,-0.3 0.931 111.7 47.6 -56.4 -48.0 17.7 50.0 7.2 42 100 A K H ><5S+ 0 0 158 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.918 110.9 52.1 -59.6 -43.2 15.3 50.9 4.4 43 101 A A H 3<5S+ 0 0 28 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.813 111.4 47.0 -63.0 -31.7 15.2 54.5 5.5 44 102 A A T 3<5S- 0 0 2 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.298 116.2-112.4 -93.7 7.8 19.0 54.7 5.5 45 103 A H T < 5S+ 0 0 139 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.853 72.4 137.6 64.0 36.4 19.3 53.1 2.1 46 104 A F < - 0 0 13 -5,-3.0 49,-0.2 -6,-0.2 -1,-0.2 -0.871 57.5-115.0-112.6 148.1 20.9 50.0 3.6 47 105 A R E -c 95 0B 152 47,-2.4 49,-3.1 -2,-0.3 2,-0.4 -0.471 31.5-149.4 -74.4 151.7 20.2 46.4 2.6 48 106 A F E +c 96 0B 59 47,-0.2 2,-0.3 -2,-0.1 49,-0.2 -0.986 21.9 164.7-128.2 137.3 18.7 44.3 5.4 49 107 A R E -c 97 0B 119 47,-1.5 49,-2.1 -2,-0.4 2,-0.4 -0.991 25.4-138.9-151.6 143.0 19.1 40.6 6.1 50 108 A V E -c 98 0B 45 -2,-0.3 2,-0.4 47,-0.2 49,-0.2 -0.875 13.0-160.9-106.2 135.0 18.4 38.3 9.0 51 109 A L E +c 99 0B 54 47,-2.7 49,-2.3 -2,-0.4 2,-0.2 -0.940 59.9 16.5-114.5 136.7 20.8 35.6 10.0 52 110 A G S S- 0 0 63 -2,-0.4 2,-0.4 47,-0.2 49,-0.1 -0.562 100.8 -58.3 99.6-168.4 19.6 32.7 12.2 53 111 A K - 0 0 134 47,-0.3 49,-0.2 -2,-0.2 3,-0.1 -0.961 51.9-107.7-120.2 130.7 16.0 31.7 12.8 54 112 A S - 0 0 50 -2,-0.4 -2,-0.1 1,-0.1 -4,-0.0 -0.316 47.1-109.2 -54.2 127.6 13.4 34.1 14.3 55 113 A P - 0 0 19 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.039 18.6-114.0 -57.2 160.3 12.7 32.9 17.9 56 114 A S S S+ 0 0 113 1,-0.2 -2,-0.1 -3,-0.1 0, 0.0 0.976 114.3 42.9 -58.9 -56.7 9.4 31.2 18.9 57 115 A V S S- 0 0 100 1,-0.0 -1,-0.2 3,-0.0 3,-0.1 -0.837 103.7-122.7 -93.8 110.4 8.7 34.2 21.2 58 116 A P - 0 0 84 0, 0.0 2,-0.7 0, 0.0 -2,-0.1 -0.109 20.1-112.6 -51.6 147.6 9.6 37.3 19.2 59 117 A V - 0 0 5 -4,-0.1 -26,-2.4 25,-0.1 2,-0.3 -0.772 37.8-157.8 -85.2 115.8 12.1 39.7 20.7 60 118 A L E +B 32 0A 115 -2,-0.7 2,-0.3 -28,-0.2 -30,-0.0 -0.768 14.1 177.7-100.7 143.3 10.2 42.9 21.5 61 119 A I E -B 31 0A 5 -30,-2.3 -30,-2.3 -2,-0.3 2,-0.4 -0.880 15.8-145.0-135.4 166.7 11.8 46.4 21.8 62 120 A S E -B 30 0A 61 -2,-0.3 2,-0.4 -32,-0.2 -32,-0.2 -0.993 9.8-173.2-140.8 131.1 10.5 49.9 22.5 63 121 A I E +B 29 0A 5 -34,-3.0 -34,-2.4 -2,-0.4 2,-0.4 -0.989 6.8 172.9-127.6 125.4 11.8 53.2 21.2 64 122 A S E +B 28 0A 96 -2,-0.4 2,-0.3 -36,-0.2 -36,-0.2 -0.890 25.1 132.9-132.6 99.1 10.5 56.6 22.3 65 123 A T E -B 27 0A 33 -38,-3.0 -38,-2.3 -2,-0.4 3,-0.2 -0.993 43.8-158.6-150.3 142.4 12.4 59.6 21.0 66 124 A K E S+ 0 0 190 -2,-0.3 2,-0.2 1,-0.3 -1,-0.1 0.623 93.0 11.1 -91.3 -16.4 11.5 62.9 19.4 67 125 A D E S+ 0 0 83 -40,-0.1 -1,-0.3 -41,-0.1 2,-0.3 -0.738 76.7 133.3-167.2 110.8 15.0 63.2 17.9 68 126 A E E -B 25 0A 57 -43,-1.7 -43,-2.6 -2,-0.2 2,-0.1 -0.984 51.5-100.6-155.5 154.7 17.8 60.6 17.6 69 127 A S E > -B 24 0A 13 -2,-0.3 4,-2.0 -45,-0.2 -45,-0.2 -0.489 30.6-122.1 -77.7 150.9 20.2 59.3 14.9 70 128 A L H > S+ 0 0 0 -47,-2.1 4,-2.4 -49,-0.3 -48,-0.2 0.860 114.2 58.2 -59.2 -34.1 19.3 56.1 13.2 71 129 A A H > S+ 0 0 7 -50,-2.4 4,-1.7 -48,-0.2 -1,-0.2 0.914 107.6 44.1 -61.7 -45.5 22.7 54.8 14.4 72 130 A E H > S+ 0 0 85 -51,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.819 111.6 53.8 -71.0 -30.9 21.9 55.5 18.1 73 131 A I H X S+ 0 0 2 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.924 108.5 50.0 -68.4 -41.8 18.4 54.0 17.7 74 132 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.871 110.9 48.8 -62.9 -38.1 20.0 50.8 16.3 75 133 A R H X S+ 0 0 48 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.877 110.6 50.9 -69.1 -36.8 22.4 50.6 19.2 76 134 A D H X S+ 0 0 79 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.958 113.1 45.7 -62.4 -51.3 19.5 51.1 21.6 77 135 A I H X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.891 110.9 53.8 -57.2 -44.5 17.6 48.3 19.9 78 136 A D H X S+ 0 0 3 -4,-2.5 4,-1.0 2,-0.2 3,-0.4 0.944 109.8 46.5 -57.8 -51.5 20.7 46.1 19.9 79 137 A Y H >< S+ 0 0 112 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.946 109.1 55.1 -56.8 -50.4 21.2 46.5 23.7 80 138 A Q H 3< S+ 0 0 80 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.816 103.9 55.4 -53.0 -34.8 17.5 45.8 24.3 81 139 A A H >< S+ 0 0 4 -4,-1.7 3,-2.0 -3,-0.4 -1,-0.3 0.772 85.3 172.1 -71.5 -25.3 17.8 42.5 22.5 82 140 A G G X< - 0 0 26 -3,-1.4 3,-1.1 -4,-1.0 -1,-0.2 -0.189 65.9 -12.7 53.8-139.0 20.6 41.4 24.7 83 141 A K G 3 S+ 0 0 203 1,-0.2 -1,-0.3 17,-0.0 3,-0.1 0.558 126.3 77.1 -70.7 -8.3 21.8 37.9 24.3 84 142 A K G < S- 0 0 101 -3,-2.0 17,-0.8 1,-0.2 2,-0.3 0.778 111.0 -17.0 -74.6 -27.5 18.6 37.1 22.2 85 143 A A E < -D 100 0B 0 -3,-1.1 2,-0.3 15,-0.3 15,-0.2 -0.984 57.9-141.7-169.3 165.4 20.0 38.8 19.1 86 144 A S E -D 99 0B 35 13,-1.9 13,-3.8 -2,-0.3 2,-0.5 -0.976 9.4-139.1-140.0 152.8 22.5 41.2 17.7 87 145 A I E -D 98 0B 0 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.939 15.5-168.0-114.2 131.8 22.7 43.9 15.0 88 146 A H E -D 97 0B 35 9,-3.3 9,-4.1 -2,-0.5 2,-0.5 -0.956 3.6-160.8-118.2 138.0 25.7 44.3 12.7 89 147 A V E -D 96 0B 4 -75,-3.6 7,-0.2 -2,-0.4 -2,-0.0 -0.985 2.9-165.5-122.3 125.4 26.2 47.3 10.5 90 148 A Y E >> -D 95 0B 88 5,-3.0 5,-1.7 -2,-0.5 4,-1.1 -0.907 3.0-171.2-111.3 102.0 28.6 47.2 7.5 91 149 A P T 45S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 -71,-0.1 0.802 79.2 48.0 -64.3 -34.4 29.3 50.8 6.3 92 150 A N T 45S+ 0 0 161 1,-0.2 -2,-0.0 3,-0.1 -74,-0.0 0.963 122.7 30.8 -74.2 -53.1 31.1 50.0 3.1 93 151 A S T 45S- 0 0 65 2,-0.1 -46,-0.2 -47,-0.0 -1,-0.2 0.617 107.2-130.1 -79.5 -11.0 28.7 47.5 1.6 94 152 A Q T <5 + 0 0 79 -4,-1.1 -47,-2.4 1,-0.2 2,-0.4 0.986 52.2 148.7 58.0 65.9 25.9 49.4 3.4 95 153 A V E < -cD 47 90B 3 -5,-1.7 -5,-3.0 -49,-0.2 2,-0.5 -0.978 37.6-154.6-129.8 139.9 24.2 46.4 5.0 96 154 A V E -cD 48 89B 0 -49,-3.1 -47,-1.5 -2,-0.4 2,-0.5 -0.981 19.1-161.2-114.5 123.4 22.3 46.1 8.3 97 155 A E E -cD 49 88B 2 -9,-4.1 -9,-3.3 -2,-0.5 2,-0.7 -0.922 13.6-164.1-115.4 127.3 22.4 42.7 9.8 98 156 A L E -cD 50 87B 0 -49,-2.1 -47,-2.7 -2,-0.5 2,-0.7 -0.931 14.4-169.7-107.2 112.7 20.0 41.3 12.4 99 157 A R E -cD 51 86B 102 -13,-3.8 -13,-1.9 -2,-0.7 2,-0.5 -0.870 14.6-147.1-111.9 103.7 21.5 38.1 13.8 100 158 A Y E - D 0 85B 19 -49,-2.3 -15,-0.3 -2,-0.7 -47,-0.3 -0.533 8.9-147.2 -67.9 114.9 19.3 36.0 16.1 101 159 A A + 0 0 43 -17,-0.8 -1,-0.2 -2,-0.5 -16,-0.2 0.261 45.1 154.0 -68.6 17.1 21.7 34.4 18.6 102 160 A K 0 0 68 -18,-0.3 -49,-0.1 -49,-0.2 -18,-0.0 -0.223 360.0 360.0 -50.1 128.4 19.3 31.5 18.5 103 161 A I 0 0 209 -51,-0.1 -1,-0.0 0, 0.0 -2,-0.0 -0.690 360.0 360.0-120.4 360.0 21.2 28.4 19.4