==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ACETYLCHOLINE-BINDING PROTEIN 19-JAN-12 4AFG . COMPND 2 MOLECULE: CAPITELLA TELETA ACHBP; . SOURCE 2 ORGANISM_SCIENTIFIC: CAPITELLA TELETA; . AUTHOR M.BRAMS,C.ULENS,R.SPURNY . 1060 5 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42305.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 773 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 365 34.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 . 165 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 7.4 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 0 0 0 1 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 0 0 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 . 1 8 7 15 0 0 0 4 6 0 5 5 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 0 0 0 0 0 0 0 0 4 1 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 2 A N > 0 0 79 0, 0.0 4,-1.6 0, 0.0 880,-0.2 0.000 360.0 360.0 360.0 124.3 16.8 -26.4 39.1 2 3 A G H > + 0 0 3 878,-3.1 4,-1.8 1,-0.2 877,-0.2 0.871 360.0 54.6 -67.4 -40.7 15.9 -23.6 36.8 3 4 A L H > S+ 0 0 51 876,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.937 107.4 51.3 -53.6 -50.0 16.1 -20.9 39.4 4 5 A M H > S+ 0 0 43 875,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.845 106.8 54.0 -61.0 -35.9 19.6 -22.0 40.4 5 6 A A H X S+ 0 0 13 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.895 110.3 45.5 -66.2 -41.2 20.8 -21.8 36.8 6 7 A K H X S+ 0 0 2 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.887 112.9 51.1 -69.8 -36.9 19.6 -18.2 36.4 7 8 A R H X S+ 0 0 124 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.910 108.7 52.4 -64.4 -40.6 21.2 -17.4 39.8 8 9 A L H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.944 108.4 49.4 -58.5 -51.3 24.4 -18.9 38.6 9 10 A R H X S+ 0 0 3 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.894 111.1 50.6 -54.5 -44.2 24.4 -16.8 35.4 10 11 A R H X S+ 0 0 46 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.904 110.3 48.9 -63.5 -41.5 23.8 -13.7 37.5 11 12 A E H X S+ 0 0 112 -4,-2.5 4,-0.6 1,-0.2 3,-0.4 0.934 112.8 48.3 -61.1 -46.2 26.7 -14.5 39.9 12 13 A L H >< S+ 0 0 15 -4,-2.6 3,-0.6 1,-0.2 4,-0.5 0.878 114.8 44.1 -62.7 -41.2 29.0 -15.1 36.9 13 14 A L H 3X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.594 90.4 84.7 -83.0 -13.5 28.1 -11.9 35.1 14 15 A N H 3X S+ 0 0 79 -4,-1.2 4,-2.9 -3,-0.4 5,-0.2 0.876 88.6 55.4 -52.3 -38.4 28.2 -9.7 38.3 15 16 A T H S+ 0 0 7 -4,-0.5 4,-1.2 2,-0.2 -1,-0.2 0.809 114.7 51.8 -66.9 -30.6 31.4 -8.0 34.2 17 18 A E H < S+ 0 0 97 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.928 117.7 37.2 -73.1 -41.9 28.6 -5.8 35.4 18 19 A Q H < S+ 0 0 126 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.887 131.8 26.2 -75.3 -42.1 30.8 -4.4 38.2 19 20 A L H < S- 0 0 29 -4,-3.1 -3,-0.2 -5,-0.2 3,-0.2 0.573 108.5-120.2-101.4 -13.3 34.1 -4.1 36.4 20 21 A G < - 0 0 15 -4,-1.2 -1,-0.2 -5,-0.4 -3,-0.1 0.005 22.4 -89.7 89.1 162.3 32.9 -3.8 32.8 21 22 A K S S+ 0 0 93 72,-0.1 74,-0.2 70,-0.1 -1,-0.1 0.455 88.1 108.1 -88.9 -4.6 33.6 -6.1 29.8 22 23 A S + 0 0 15 -3,-0.2 72,-0.1 -6,-0.1 200,-0.1 -0.429 59.1 39.0 -74.8 151.2 36.8 -4.3 28.6 23 24 A G S S- 0 0 5 -2,-0.1 71,-0.0 2,-0.1 276,-0.0 0.110 99.6 -49.5 96.1 150.6 40.2 -5.9 29.0 24 25 A L - 0 0 14 1,-0.2 2,-2.7 7,-0.1 46,-0.0 -0.185 65.1-102.7 -56.0 144.2 41.5 -9.4 28.6 25 26 A P S S+ 0 0 1 0, 0.0 46,-1.0 0, 0.0 47,-0.4 -0.332 83.3 109.5 -77.1 65.9 39.4 -12.0 30.5 26 27 A F - 0 0 26 -2,-2.7 4,-0.1 45,-0.1 44,-0.0 -0.998 40.6-179.3-138.3 139.2 41.8 -12.5 33.5 27 28 A L S S+ 0 0 45 -2,-0.3 189,-2.1 188,-0.2 190,-0.3 0.604 83.4 34.8-107.0 -19.5 41.6 -11.5 37.1 28 29 A D S S- 0 0 121 1,-0.4 187,-3.2 187,-0.2 -2,-0.1 0.181 122.6 -2.6-104.7-135.5 45.0 -12.8 38.1 29 30 A D S S- 0 0 139 185,-0.2 2,-0.5 1,-0.1 -1,-0.4 -0.320 81.1-115.2 -57.1 134.4 48.1 -12.9 36.0 30 31 A I + 0 0 74 -3,-0.1 -1,-0.1 -4,-0.1 2,-0.1 -0.640 47.1 175.6 -73.0 120.3 47.3 -11.5 32.5 31 32 A G - 0 0 30 -2,-0.5 2,-0.4 127,-0.1 -5,-0.1 -0.234 33.1 -82.1-107.3-156.2 47.8 -14.3 30.1 32 33 A K - 0 0 101 -2,-0.1 2,-0.5 -8,-0.0 127,-0.2 -0.916 32.0-139.5-115.7 131.9 47.2 -14.8 26.4 33 34 A V E -a 159 0A 4 125,-2.8 127,-3.5 -2,-0.4 2,-0.7 -0.827 12.6-156.0 -92.5 128.2 43.8 -15.6 25.0 34 35 A D E -a 160 0A 51 -2,-0.5 2,-0.5 125,-0.2 35,-0.2 -0.906 9.9-160.8-104.7 110.5 44.0 -18.2 22.3 35 36 A V E -a 161 0A 0 125,-3.1 127,-2.4 -2,-0.7 2,-0.5 -0.762 9.1-147.0 -92.3 132.7 41.0 -17.9 20.0 36 37 A K E -aB 162 67A 84 31,-2.9 31,-1.8 -2,-0.5 2,-0.4 -0.859 24.0-166.0 -93.6 128.6 39.9 -20.9 17.8 37 38 A F E +aB 163 66A 1 125,-2.6 127,-2.5 -2,-0.5 2,-0.3 -0.971 14.2 176.3-125.5 129.7 38.5 -19.4 14.6 38 39 A G E - B 0 65A 3 27,-2.4 27,-2.9 -2,-0.4 2,-0.5 -0.985 14.6-156.7-130.2 145.9 36.4 -21.1 11.9 39 40 A L E - B 0 64A 6 130,-0.4 132,-3.2 -2,-0.3 2,-0.7 -0.961 9.6-170.1-121.4 113.9 34.8 -19.7 8.8 40 41 A S E -cB 171 63A 0 23,-3.0 23,-2.5 -2,-0.5 2,-0.2 -0.871 14.2-145.0-111.1 108.3 31.9 -21.7 7.3 41 42 A L E + B 0 62A 9 130,-1.2 133,-0.3 -2,-0.7 21,-0.2 -0.454 23.4 171.5 -69.6 128.5 30.7 -20.4 3.9 42 43 A Q E - 0 0 0 19,-2.6 134,-2.8 1,-0.4 2,-0.3 0.808 57.4 -31.5 -98.4 -50.9 26.9 -20.8 3.5 43 44 A L E - B 0 61A 2 18,-1.9 18,-3.0 132,-0.1 2,-0.6 -0.993 51.2-104.8-165.3 159.3 26.2 -19.0 0.2 44 45 A L E - B 0 60A 4 -2,-0.3 16,-0.2 16,-0.2 3,-0.1 -0.824 24.0-173.9 -89.2 124.3 27.1 -16.2 -2.2 45 46 A K E - 0 0 56 14,-2.7 2,-0.3 -2,-0.6 15,-0.2 0.935 64.6 -32.2 -80.3 -49.0 24.6 -13.3 -2.0 46 47 A S E - B 0 59A 19 13,-1.7 13,-3.4 856,-0.1 2,-0.4 -0.988 38.1-152.1-165.8 151.8 26.1 -11.4 -4.9 47 48 A I E - B 0 58A 41 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.977 26.2-172.3-129.5 116.7 29.2 -10.5 -6.8 48 49 A E E - B 0 57A 117 9,-2.4 9,-2.8 -2,-0.4 -2,-0.0 -0.951 23.7-121.5-121.8 120.5 28.9 -7.1 -8.5 49 50 A Q E - B 0 56A 122 -2,-0.5 2,-0.7 7,-0.3 7,-0.3 -0.245 23.9-128.5 -54.1 138.9 31.4 -5.7 -10.9 50 51 A R > - 0 0 8 5,-2.9 3,-1.7 3,-0.1 5,-0.4 -0.878 65.0 -52.6 -92.9 115.0 32.9 -2.4 -9.8 51 52 A G T 3 S- 0 0 54 -2,-0.7 -2,-0.0 1,-0.2 373,-0.0 -0.260 104.9 -43.9 56.4-128.9 32.6 0.1 -12.7 52 53 A M T 3 S+ 0 0 168 373,-0.6 -1,-0.2 -3,-0.0 -3,-0.0 0.152 110.5 100.5-120.9 18.6 34.0 -1.5 -15.8 53 54 A G S < S- 0 0 15 -3,-1.7 -3,-0.1 372,-0.2 372,-0.0 -0.097 87.4 -91.9 -91.8-165.3 37.2 -2.9 -14.4 54 55 A F S S+ 0 0 136 -5,-0.1 84,-3.4 83,-0.0 2,-0.2 0.404 95.4 87.8 -88.4 -0.2 38.4 -6.4 -13.2 55 56 A N E + D 0 137A 16 -5,-0.4 -5,-2.9 82,-0.2 2,-0.3 -0.632 51.8 178.9-100.0 161.7 37.3 -5.9 -9.6 56 57 A S E -BD 49 136A 0 80,-2.1 80,-3.4 -7,-0.3 2,-0.6 -0.967 32.3-111.2-152.7 163.6 34.0 -6.6 -8.0 57 58 A I E -BD 48 135A 16 -9,-2.8 -9,-2.4 -2,-0.3 2,-0.5 -0.919 32.0-158.8-101.4 117.3 32.3 -6.4 -4.6 58 59 A G E -BD 47 134A 0 76,-2.9 76,-1.9 -2,-0.6 2,-0.5 -0.865 3.9-164.7-100.5 124.6 31.6 -9.9 -3.2 59 60 A T E -BD 46 133A 3 -13,-3.4 -14,-2.7 -2,-0.5 -13,-1.7 -0.942 14.4-177.0-112.7 123.1 28.8 -10.3 -0.6 60 61 A F E -BD 44 132A 3 72,-3.3 72,-2.5 -2,-0.5 2,-0.5 -0.884 25.0-143.7-123.0 148.8 28.8 -13.6 1.3 61 62 A K E +BD 43 131A 1 -18,-3.0 -19,-2.6 -2,-0.3 -18,-1.9 -0.946 38.2 155.6-105.9 130.7 26.7 -15.3 4.0 62 63 A A E -BD 41 130A 2 68,-2.6 68,-2.8 -2,-0.5 2,-0.5 -0.886 43.4-122.1-144.5 169.7 28.7 -17.4 6.4 63 64 A I E -BD 40 129A 0 -23,-2.5 -23,-3.0 -2,-0.3 2,-0.4 -0.995 26.7-152.3-113.9 125.0 28.7 -18.8 9.9 64 65 A V E -B 39 0A 0 64,-2.9 2,-0.5 -2,-0.5 -25,-0.2 -0.859 7.3-154.9 -98.2 136.4 31.7 -17.6 12.0 65 66 A K E +B 38 0A 5 -27,-2.9 -27,-2.4 -2,-0.4 2,-0.4 -0.929 15.5 177.3-117.0 123.7 32.8 -20.0 14.7 66 67 A L E +BE 37 126A 6 60,-2.8 60,-2.7 -2,-0.5 2,-0.3 -0.977 6.5 172.1-129.5 136.1 34.7 -18.7 17.8 67 68 A S E +BE 36 125A 21 -31,-1.8 -31,-2.9 -2,-0.4 2,-0.3 -0.998 11.6 144.0-141.9 143.0 36.0 -20.4 20.9 68 69 A W E - E 0 124A 4 56,-1.5 56,-3.1 -2,-0.3 2,-0.5 -0.967 44.6 -96.7-161.0 170.4 38.2 -19.2 23.7 69 70 A V E - E 0 123A 58 -2,-0.3 2,-0.6 54,-0.2 54,-0.2 -0.871 24.0-172.0-103.3 130.1 38.7 -19.5 27.4 70 71 A D > - 0 0 0 52,-3.1 3,-1.2 -2,-0.5 4,-0.1 -0.909 2.5-171.7-116.5 102.3 37.3 -17.0 29.9 71 72 A T G > S+ 0 0 45 -46,-1.0 3,-0.8 -2,-0.6 -45,-0.1 0.689 83.8 64.1 -67.9 -17.7 38.6 -17.7 33.4 72 73 A I G 3 S+ 0 0 17 -47,-0.4 -1,-0.3 1,-0.2 -57,-0.1 0.802 99.1 54.7 -74.5 -25.6 36.3 -15.2 34.9 73 74 A L G < S+ 0 0 0 -3,-1.2 49,-0.3 49,-0.2 -1,-0.2 0.323 83.6 118.1 -93.6 8.2 33.3 -17.3 33.8 74 75 A R < + 0 0 132 -3,-0.8 2,-0.3 47,-0.2 47,-0.2 -0.401 35.0 173.4 -71.9 149.5 34.4 -20.6 35.5 75 76 A W - 0 0 23 45,-2.2 47,-0.1 -2,-0.1 -2,-0.0 -0.987 36.0-115.9-148.2 161.1 32.5 -22.4 38.2 76 77 A D - 0 0 135 -2,-0.3 2,-1.5 2,-0.1 5,-0.2 -0.865 27.9-140.9 -92.9 119.8 32.6 -25.6 40.1 77 78 A P + 0 0 38 0, 0.0 -1,-0.1 0, 0.0 43,-0.0 -0.196 54.0 133.2 -85.3 48.8 29.5 -27.6 39.2 78 79 A E > - 0 0 134 -2,-1.5 3,-1.8 1,-0.1 5,-0.1 -0.757 63.3 -49.8 -85.3 143.4 28.8 -28.9 42.7 79 80 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.150 125.6 30.9 -52.8 148.8 25.2 -28.6 43.7 80 81 A P T 3 S+ 0 0 66 0, 0.0 -76,-0.0 0, 0.0 -2,-0.0 -0.975 132.6 42.6 -84.7 8.8 23.2 -26.4 43.8 81 82 A F S < S+ 0 0 48 -3,-1.8 2,-2.1 -5,-0.2 -3,-0.1 -0.224 70.6 145.1-104.7 43.6 25.1 -25.2 40.8 82 83 A D + 0 0 92 2,-0.0 2,-0.4 -5,-0.0 -4,-0.1 -0.492 27.1 130.1 -81.6 73.3 25.5 -28.6 39.1 83 84 A F - 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