==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 21-OCT-09 3KCN . COMPND 2 MOLECULE: ADENYLATE CYCLASE HOMOLOG; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOPIRELLULA BALTICA; . AUTHOR Z.ZHANG,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH . 272 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14239.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 16.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 23 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 41.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 1 0 0 3 4 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 5 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 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 . 0 0 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 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 5 A L 0 0 150 0, 0.0 2,-0.8 0, 0.0 119,-0.1 0.000 360.0 360.0 360.0 115.1 -2.3 -19.6 19.2 2 6 A N + 0 0 26 117,-0.2 120,-0.1 1,-0.1 121,-0.1 -0.681 360.0 165.9 -79.1 112.1 -4.5 -16.8 17.9 3 7 A E + 0 0 74 -2,-0.8 24,-2.2 45,-0.1 2,-0.5 0.073 31.7 124.6-113.5 26.1 -7.4 -16.4 20.4 4 8 A R E -a 27 0A 72 42,-0.2 44,-2.5 22,-0.2 45,-1.3 -0.736 38.3-179.8 -86.7 122.8 -8.7 -13.1 19.0 5 9 A I E -ab 28 49A 1 22,-2.7 24,-2.4 -2,-0.5 2,-0.5 -0.958 19.5-148.0-130.1 149.6 -12.4 -13.4 18.2 6 10 A L E -ab 29 50A 0 43,-2.6 45,-3.0 -2,-0.4 2,-0.5 -0.951 7.5-161.3-120.3 129.3 -14.9 -11.0 16.7 7 11 A L E -ab 30 51A 1 22,-2.3 24,-1.7 -2,-0.5 2,-0.5 -0.949 6.4-169.1-112.2 129.7 -18.6 -11.1 17.6 8 12 A V E +ab 31 52A 4 43,-2.7 45,-1.3 -2,-0.5 2,-0.3 -0.962 24.8 133.2-126.3 117.8 -21.1 -9.3 15.3 9 13 A D - 0 0 10 22,-2.1 47,-0.1 -2,-0.5 22,-0.1 -0.972 53.5-131.3-164.5 145.7 -24.6 -8.8 16.4 10 14 A D S S+ 0 0 82 45,-0.3 2,-0.7 -2,-0.3 22,-0.1 0.729 87.4 82.1 -66.2 -27.7 -27.2 -6.0 16.4 11 15 A D > - 0 0 77 1,-0.1 4,-2.1 -3,-0.0 3,-0.2 -0.761 57.4-166.4 -97.8 110.0 -28.2 -6.6 20.1 12 16 A Y H > S+ 0 0 109 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.846 87.5 60.1 -63.2 -37.4 -26.0 -5.1 22.8 13 17 A S H > S+ 0 0 84 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.916 109.4 41.8 -53.1 -50.2 -27.5 -7.2 25.6 14 18 A L H > S+ 0 0 52 2,-0.2 4,-2.9 -3,-0.2 5,-0.3 0.916 113.0 54.7 -66.0 -44.8 -26.5 -10.4 23.9 15 19 A L H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.886 110.6 45.1 -54.2 -46.2 -23.1 -9.0 23.0 16 20 A N H X S+ 0 0 80 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.882 113.1 51.6 -65.9 -39.3 -22.4 -8.0 26.7 17 21 A T H X S+ 0 0 67 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.930 114.9 40.7 -64.8 -45.2 -23.6 -11.4 27.8 18 22 A L H X S+ 0 0 9 -4,-2.9 4,-3.6 1,-0.2 5,-0.2 0.887 114.6 52.1 -68.6 -41.0 -21.4 -13.4 25.4 19 23 A K H X S+ 0 0 83 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.865 107.7 51.9 -68.2 -33.7 -18.4 -11.1 25.9 20 24 A R H < S+ 0 0 178 -4,-2.1 4,-0.4 2,-0.2 -1,-0.2 0.927 117.9 38.1 -65.2 -44.9 -18.5 -11.4 29.7 21 25 A N H >< S+ 0 0 73 -4,-1.5 3,-0.8 -5,-0.2 4,-0.4 0.932 120.0 46.1 -70.9 -43.3 -18.6 -15.2 29.5 22 26 A L H >X S+ 0 0 0 -4,-3.6 4,-2.2 1,-0.2 3,-0.8 0.716 96.4 72.5 -76.6 -20.5 -16.1 -15.4 26.6 23 27 A S T 3< S+ 0 0 56 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.650 84.4 68.0 -77.1 -16.7 -13.5 -13.0 27.9 24 28 A F T <4 S+ 0 0 182 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.901 119.1 19.5 -62.1 -40.0 -12.4 -15.4 30.5 25 29 A D T <4 S+ 0 0 77 -3,-0.8 2,-0.3 -4,-0.4 -2,-0.2 0.658 127.3 30.2-105.4 -17.2 -10.9 -17.7 27.8 26 30 A F S < S- 0 0 10 -4,-2.2 2,-0.8 -21,-0.0 -22,-0.2 -0.869 78.2-102.6-137.1 166.2 -10.5 -15.4 24.7 27 31 A E E -a 4 0A 126 -24,-2.2 -22,-2.7 -2,-0.3 2,-0.5 -0.847 48.4-162.0 -90.9 107.8 -9.8 -11.9 23.5 28 32 A V E -a 5 0A 12 -2,-0.8 2,-0.4 -24,-0.2 -22,-0.2 -0.800 18.3-178.7-105.9 126.1 -13.2 -10.6 22.5 29 33 A T E -a 6 0A 52 -24,-2.4 -22,-2.3 -2,-0.5 2,-0.3 -0.901 14.7-153.1-111.9 147.5 -14.1 -7.7 20.3 30 34 A T E -a 7 0A 35 -2,-0.4 2,-0.3 -24,-0.2 -22,-0.2 -0.887 12.3-177.7-123.4 149.9 -17.7 -6.7 19.6 31 35 A C E -a 8 0A 5 -24,-1.7 -22,-2.1 -2,-0.3 3,-0.0 -0.989 22.1-145.1-145.2 142.4 -19.4 -4.9 16.7 32 36 A E S S+ 0 0 75 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.1 0.513 75.2 5.1 -91.0 -3.3 -23.0 -3.9 16.2 33 37 A S S > S- 0 0 33 1,-0.1 4,-2.6 23,-0.1 5,-0.1 -0.962 77.2 -91.5-165.8 175.8 -23.3 -4.4 12.4 34 38 A G H > S+ 0 0 2 -2,-0.3 4,-3.8 25,-0.3 5,-0.2 0.958 120.3 47.7 -69.4 -57.5 -21.8 -5.5 9.1 35 39 A P H > S+ 0 0 84 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.857 115.0 48.7 -47.7 -39.5 -20.3 -2.2 8.0 36 40 A E H > S+ 0 0 75 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.961 112.8 46.9 -69.5 -49.7 -18.9 -1.8 11.6 37 41 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 5,-0.3 0.934 111.3 51.9 -51.7 -50.8 -17.5 -5.4 11.5 38 42 A L H X S+ 0 0 28 -4,-3.8 4,-1.6 1,-0.2 -1,-0.2 0.883 110.2 48.8 -56.6 -39.6 -16.0 -4.7 8.0 39 43 A A H X S+ 0 0 59 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.891 112.2 49.7 -64.7 -37.2 -14.3 -1.5 9.3 40 44 A C H X S+ 0 0 9 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.857 110.0 47.2 -76.0 -37.5 -12.9 -3.4 12.3 41 45 A I H < S+ 0 0 11 -4,-2.2 3,-0.3 2,-0.2 -1,-0.2 0.901 107.5 58.4 -68.0 -42.4 -11.4 -6.3 10.4 42 46 A K H < S+ 0 0 162 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.895 117.1 31.3 -58.5 -40.1 -9.8 -4.0 7.8 43 47 A K H < S+ 0 0 161 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.560 109.1 74.0 -97.9 -10.4 -7.8 -2.2 10.5 44 48 A S S < S- 0 0 46 -4,-1.2 3,-0.1 -3,-0.3 0, 0.0 -0.535 88.5 -89.3 -98.6 171.1 -7.1 -4.9 13.2 45 49 A D - 0 0 114 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.1 -0.317 69.0 -70.2 -63.6 157.1 -4.9 -7.8 13.4 46 50 A P - 0 0 61 0, 0.0 2,-0.3 0, 0.0 -42,-0.2 -0.264 44.1-140.7 -55.9 135.2 -6.4 -11.1 12.1 47 51 A F - 0 0 6 1,-0.2 -42,-0.2 -3,-0.1 3,-0.1 -0.743 1.1-153.5 -89.8 142.4 -9.2 -12.6 14.1 48 52 A S S S+ 0 0 0 -44,-2.5 28,-2.6 -2,-0.3 2,-0.4 0.865 83.9 30.2 -82.2 -38.8 -9.0 -16.4 14.2 49 53 A V E -bc 5 76A 1 -45,-1.3 -43,-2.6 26,-0.2 2,-0.4 -0.975 62.8-178.7-127.3 131.4 -12.8 -16.6 14.7 50 54 A I E -bc 6 77A 3 26,-2.4 28,-2.2 -2,-0.4 2,-0.5 -0.980 8.0-169.5-126.7 117.2 -15.6 -14.3 13.5 51 55 A X E -bc 7 78A 7 -45,-3.0 -43,-2.7 -2,-0.4 2,-0.3 -0.936 4.9-173.9-113.8 137.4 -19.2 -15.0 14.4 52 56 A V E -bc 8 79A 1 26,-2.2 28,-2.6 -2,-0.5 2,-0.4 -0.884 24.9-123.4-125.2 147.4 -22.1 -13.2 12.9 53 57 A D E - c 0 80A 10 -45,-1.3 8,-0.3 -2,-0.3 28,-0.2 -0.780 19.0-139.7 -88.4 135.7 -25.8 -13.2 13.5 54 58 A X S S+ 0 0 3 26,-2.7 7,-2.1 -2,-0.4 2,-0.7 0.927 87.5 58.1 -58.8 -48.3 -27.8 -14.0 10.4 55 59 A R + 0 0 125 25,-0.3 -45,-0.3 5,-0.2 -1,-0.1 -0.781 64.3 137.1 -96.7 111.2 -30.6 -11.4 11.1 56 60 A X - 0 0 14 -2,-0.7 -23,-0.1 2,-0.1 -24,-0.0 -0.978 57.8 -96.5-144.5 146.1 -29.4 -7.8 11.3 57 61 A P S S- 0 0 94 0, 0.0 2,-0.9 0, 0.0 -2,-0.0 -0.260 98.8 -1.9 -59.2 146.7 -31.0 -4.7 9.8 58 62 A G S S+ 0 0 82 -25,-0.1 2,-0.7 -24,-0.1 -2,-0.1 -0.639 129.6 42.3 76.3-106.2 -29.5 -3.6 6.5 59 63 A X S S- 0 0 20 -2,-0.9 -25,-0.3 -4,-0.1 5,-0.0 -0.637 80.1-141.5 -86.8 114.2 -26.7 -6.1 5.9 60 64 A E >> - 0 0 111 -2,-0.7 4,-1.5 1,-0.1 3,-0.6 -0.320 25.7-107.6 -69.7 154.8 -27.5 -9.7 6.6 61 65 A G H 3> S+ 0 0 0 -7,-2.1 4,-2.0 -8,-0.3 5,-0.2 0.786 115.1 58.5 -56.2 -35.7 -24.9 -12.0 8.2 62 66 A T H 3> S+ 0 0 25 -8,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.920 106.0 48.7 -62.2 -42.6 -24.2 -14.0 5.0 63 67 A E H <> S+ 0 0 79 -3,-0.6 4,-2.6 1,-0.2 -1,-0.2 0.884 108.7 55.6 -63.5 -35.5 -23.2 -10.9 3.1 64 68 A V H X S+ 0 0 3 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.919 108.9 45.8 -64.7 -44.3 -20.9 -9.8 5.9 65 69 A I H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.908 111.6 51.9 -64.0 -43.8 -19.1 -13.1 5.8 66 70 A Q H X S+ 0 0 85 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.909 114.6 42.9 -61.7 -43.0 -18.8 -13.0 2.0 67 71 A K H >X S+ 0 0 89 -4,-2.6 4,-0.7 -5,-0.2 3,-0.6 0.912 113.8 51.2 -69.1 -39.8 -17.3 -9.5 2.2 68 72 A A H >X S+ 0 0 1 -4,-2.8 4,-3.6 1,-0.2 3,-0.6 0.825 100.4 62.3 -67.7 -34.4 -15.0 -10.3 5.2 69 73 A R H 3< S+ 0 0 92 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.811 100.7 54.4 -62.3 -26.2 -13.6 -13.4 3.4 70 74 A L H << S+ 0 0 151 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.798 119.0 33.7 -73.7 -25.1 -12.2 -11.0 0.7 71 75 A I H << S+ 0 0 78 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.1 0.707 134.6 23.9 -98.4 -30.0 -10.5 -9.0 3.5 72 76 A S < + 0 0 15 -4,-3.6 3,-0.5 -5,-0.1 -1,-0.2 -0.623 67.7 170.3-141.6 78.1 -9.6 -11.8 5.9 73 77 A P S S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.818 74.6 51.7 -64.4 -41.7 -9.4 -15.2 4.1 74 78 A N S S+ 0 0 45 2,-0.1 51,-0.1 51,-0.0 52,-0.1 0.797 84.9 109.7 -66.7 -30.1 -7.9 -17.4 6.8 75 79 A S - 0 0 9 -3,-0.5 2,-0.6 -7,-0.1 -26,-0.2 -0.021 69.2-127.7 -50.4 152.1 -10.5 -16.4 9.4 76 80 A V E -c 49 0A 8 -28,-2.6 -26,-2.4 -29,-0.1 2,-0.5 -0.913 23.1-150.1-106.4 119.3 -13.0 -19.0 10.5 77 81 A Y E -c 50 0A 5 -2,-0.6 22,-2.2 20,-0.4 23,-0.9 -0.830 14.9-177.2-101.2 125.7 -16.6 -17.8 10.2 78 82 A L E -cd 51 100A 0 -28,-2.2 -26,-2.2 -2,-0.5 2,-0.4 -0.859 10.8-152.3-110.2 149.1 -19.4 -19.0 12.4 79 83 A X E -cd 52 101A 0 21,-1.8 23,-3.0 -2,-0.3 2,-0.6 -0.980 12.4-143.4-126.6 134.3 -23.1 -18.0 12.2 80 84 A L E -cd 53 102A 9 -28,-2.6 -26,-2.7 -2,-0.4 2,-0.4 -0.842 35.5-177.4 -89.6 127.4 -26.0 -17.8 14.7 81 85 A T E - d 0 103A 0 21,-2.7 23,-2.4 -2,-0.6 2,-0.2 -0.918 20.8-137.8-135.5 136.5 -29.0 -18.8 12.8 82 86 A G > - 0 0 4 -2,-0.4 3,-2.5 21,-0.2 4,-0.4 -0.564 40.8 -93.4 -84.0 154.9 -32.7 -19.1 13.5 83 87 A N G > S+ 0 0 126 1,-0.3 3,-0.8 -2,-0.2 -1,-0.1 0.768 124.1 51.4 -14.2 -57.0 -35.1 -21.8 12.5 84 88 A Q G 3 S+ 0 0 156 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.478 102.1 59.2 -86.0 -0.8 -36.0 -20.0 9.4 85 89 A D G X> + 0 0 27 -3,-2.5 4,-1.5 1,-0.1 3,-0.6 0.445 69.3 108.6-104.0 0.7 -32.5 -19.4 8.1 86 90 A L H <> S+ 0 0 42 -3,-0.8 4,-2.4 -4,-0.4 3,-0.3 0.848 77.5 50.8 -43.7 -49.5 -31.4 -23.0 7.9 87 91 A T H 3> S+ 0 0 112 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.897 111.3 47.0 -63.4 -40.7 -31.4 -23.2 4.1 88 92 A T H <> S+ 0 0 48 -3,-0.6 4,-0.7 1,-0.2 -1,-0.3 0.767 113.4 49.8 -70.9 -27.9 -29.3 -20.1 3.7 89 93 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 -3,-0.3 -2,-0.2 0.794 109.7 51.3 -77.8 -34.5 -26.9 -21.3 6.4 90 94 A X H X S+ 0 0 27 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.926 110.5 46.1 -69.7 -46.2 -26.5 -24.7 4.7 91 95 A E H X S+ 0 0 121 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.777 111.2 55.1 -69.8 -24.8 -25.7 -23.3 1.3 92 96 A A H X>S+ 0 0 2 -4,-0.7 5,-2.2 2,-0.2 6,-1.3 0.908 108.2 47.1 -72.0 -44.7 -23.3 -20.9 3.0 93 97 A V H ><5S+ 0 0 16 -4,-2.0 3,-1.5 4,-0.2 -2,-0.2 0.952 113.2 50.4 -55.7 -50.0 -21.5 -23.9 4.6 94 98 A N H 3<5S+ 0 0 46 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.767 103.6 56.6 -65.3 -26.8 -21.4 -25.7 1.2 95 99 A E H 3<5S- 0 0 131 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.667 118.8-115.8 -74.8 -13.9 -20.0 -22.7 -0.6 96 100 A G T <<5S+ 0 0 30 -3,-1.5 -3,-0.2 -4,-0.5 -2,-0.2 0.659 89.2 110.6 84.6 20.4 -17.2 -23.0 1.9 97 101 A Q < + 0 0 33 -5,-2.2 2,-0.6 1,-0.2 -20,-0.4 0.853 69.8 51.6 -88.9 -39.6 -18.0 -19.6 3.5 98 102 A V - 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