==== 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 4AFH . COMPND 2 MOLECULE: ACHBP; . SOURCE 2 ORGANISM_SCIENTIFIC: CAPITELLA TELETA; . AUTHOR M.BRAMS,C.ULENS,R.SPURNY . 1064 5 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42644.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 764 71.8 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 . 362 34.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.5 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 . 162 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 7.6 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 5 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 . 6 10 10 10 0 0 0 5 5 5 0 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 3 2 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 55 0, 0.0 885,-1.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-162.1 -20.4 139.5 38.9 2 2 A N B > -A 885 0A 59 79,-0.2 4,-1.2 883,-0.2 883,-0.2 -0.386 360.0-135.2 -69.0 147.6 -17.8 136.8 39.3 3 3 A G H > S+ 0 0 2 881,-2.4 4,-1.6 880,-0.3 881,-0.2 0.724 110.4 60.2 -70.9 -22.1 -17.1 134.4 36.4 4 4 A L H > S+ 0 0 41 879,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.933 102.9 48.1 -65.1 -50.7 -17.2 131.8 39.2 5 5 A M H > S+ 0 0 39 878,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.783 107.9 56.3 -63.6 -29.7 -20.8 132.7 40.1 6 6 A A H X S+ 0 0 12 -4,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.923 109.8 44.6 -68.6 -44.0 -21.8 132.6 36.4 7 7 A K H X S+ 0 0 2 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.888 113.6 50.6 -66.4 -36.8 -20.5 129.0 36.2 8 8 A R H X S+ 0 0 114 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.914 107.4 54.3 -67.3 -39.4 -22.2 128.1 39.5 9 9 A L H X S+ 0 0 5 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.952 108.9 48.7 -55.5 -51.2 -25.4 129.6 38.2 10 10 A R H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.900 111.2 49.4 -53.9 -46.1 -25.3 127.4 35.2 11 11 A R H X S+ 0 0 51 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.879 111.2 49.1 -66.3 -39.3 -24.6 124.2 37.3 12 12 A E H X S+ 0 0 116 -4,-2.5 4,-0.7 2,-0.2 3,-0.4 0.925 113.1 46.8 -65.5 -44.0 -27.5 125.0 39.6 13 13 A L H X S+ 0 0 15 -4,-2.6 4,-0.6 1,-0.2 3,-0.5 0.882 115.2 46.5 -63.3 -38.0 -29.9 125.5 36.7 14 14 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.621 91.6 81.7 -82.9 -13.6 -28.7 122.4 34.9 15 15 A N H X S+ 0 0 82 -4,-1.1 4,-2.9 -3,-0.4 5,-0.2 0.895 89.5 53.7 -56.4 -42.3 -28.9 120.3 38.1 16 16 A T H X S+ 0 0 37 -4,-0.7 4,-3.1 -3,-0.5 5,-0.4 0.930 111.6 44.0 -58.7 -48.8 -32.6 119.8 37.5 17 17 A Y H X S+ 0 0 7 -4,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.838 113.9 51.5 -65.8 -34.2 -32.1 118.5 34.0 18 18 A E H < S+ 0 0 106 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.911 118.0 37.4 -68.4 -39.7 -29.2 116.4 35.2 19 19 A Q H < S+ 0 0 137 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.899 130.3 28.1 -77.5 -42.7 -31.3 114.9 38.0 20 20 A L H < S- 0 0 16 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.574 108.8-116.8-100.4 -12.8 -34.7 114.6 36.2 21 21 A G < - 0 0 16 -4,-1.6 -1,-0.2 -5,-0.4 -3,-0.1 0.038 20.1 -94.6 89.7 158.8 -33.6 114.2 32.6 22 22 A K S S+ 0 0 94 72,-0.1 -1,-0.1 -4,-0.1 74,-0.1 0.586 89.0 105.1 -86.6 -13.4 -34.1 116.4 29.6 23 23 A S + 0 0 12 -6,-0.1 72,-0.1 -3,-0.1 201,-0.1 -0.388 60.3 43.5 -71.3 148.1 -37.1 114.6 28.3 24 24 A G S S- 0 0 4 -2,-0.1 71,-0.0 2,-0.1 277,-0.0 0.116 98.1 -54.0 100.1 149.5 -40.6 116.1 28.8 25 25 A L - 0 0 19 1,-0.2 2,-2.5 7,-0.1 46,-0.0 -0.197 63.9-103.1 -56.5 146.2 -42.1 119.6 28.3 26 26 A P S S+ 0 0 0 0, 0.0 46,-1.0 0, 0.0 2,-0.3 -0.367 83.2 108.9 -79.8 68.8 -40.1 122.3 30.3 27 27 A F + 0 0 26 -2,-2.5 4,-0.1 45,-0.1 44,-0.0 -0.996 38.8 179.6-137.1 143.2 -42.6 122.7 33.2 28 28 A L S S+ 0 0 43 -2,-0.3 190,-2.1 189,-0.2 191,-0.3 0.603 82.5 34.6-112.7 -22.5 -42.4 121.7 36.8 29 29 A D S S- 0 0 113 1,-0.4 188,-2.9 187,-0.2 189,-0.2 0.223 125.0 -2.5 -99.6-133.7 -45.8 123.0 37.9 30 30 A D B S-B 216 0B 131 186,-0.2 2,-0.5 1,-0.1 -1,-0.4 -0.382 79.6-120.6 -60.1 126.0 -48.9 123.1 35.7 31 31 A I + 0 0 78 184,-0.7 -1,-0.1 -3,-0.1 2,-0.1 -0.615 43.4 176.2 -70.6 120.2 -47.9 121.7 32.3 32 32 A G - 0 0 34 -2,-0.5 2,-0.4 127,-0.1 -5,-0.1 -0.163 34.3 -79.3-106.8-157.4 -48.6 124.4 29.8 33 33 A K - 0 0 100 -2,-0.1 2,-0.6 127,-0.0 127,-0.2 -0.918 34.9-136.1-110.1 133.7 -48.1 124.8 26.0 34 34 A V E -c 160 0C 3 125,-2.9 127,-3.7 -2,-0.4 2,-0.7 -0.821 13.1-158.1 -88.3 126.0 -44.7 125.7 24.6 35 35 A D E -c 161 0C 46 -2,-0.6 2,-0.5 125,-0.2 35,-0.3 -0.915 10.1-161.6-101.6 114.9 -44.9 128.3 21.9 36 36 A V E -c 162 0C 0 125,-3.0 127,-2.4 -2,-0.7 2,-0.5 -0.831 8.6-146.1 -97.3 128.4 -41.8 128.0 19.7 37 37 A K E -cD 163 68C 77 31,-2.9 31,-1.7 -2,-0.5 2,-0.4 -0.856 24.0-165.8 -92.8 134.2 -40.8 131.0 17.5 38 38 A F E +cD 164 67C 1 125,-2.6 127,-2.5 -2,-0.5 2,-0.3 -0.951 16.0 172.9-130.9 131.3 -39.2 129.8 14.3 39 39 A G E - D 0 66C 3 27,-2.4 27,-3.0 -2,-0.4 2,-0.5 -0.993 15.3-157.3-135.7 149.2 -37.2 131.4 11.6 40 40 A L E - D 0 65C 7 130,-0.4 132,-2.9 -2,-0.3 2,-0.6 -0.983 9.4-169.1-126.0 116.1 -35.3 130.1 8.6 41 41 A S E -eD 172 64C 0 23,-3.0 23,-2.4 -2,-0.5 2,-0.4 -0.933 13.9-144.8-110.5 114.7 -32.6 132.3 7.1 42 42 A L E + D 0 63C 9 130,-1.9 21,-0.2 -2,-0.6 133,-0.2 -0.603 23.9 170.2 -80.5 129.7 -31.2 131.1 3.7 43 43 A Q E - 0 0 0 19,-2.6 134,-2.9 1,-0.4 2,-0.3 0.838 57.9 -34.6-100.3 -51.3 -27.5 131.7 3.1 44 44 A L E - D 0 62C 2 18,-1.7 18,-2.8 132,-0.2 2,-0.5 -0.986 51.5-101.7-163.8 164.2 -26.7 129.8 -0.1 45 45 A L E - D 0 61C 5 -2,-0.3 16,-0.2 16,-0.2 3,-0.1 -0.882 22.3-171.1 -93.8 125.2 -27.4 126.8 -2.3 46 46 A K E - 0 0 56 14,-2.2 2,-0.3 -2,-0.5 15,-0.2 0.940 67.0 -28.5 -77.0 -49.8 -24.8 124.0 -2.1 47 47 A S E - D 0 60C 22 13,-1.4 13,-2.7 859,-0.1 2,-0.4 -0.989 40.7-156.1-160.3 156.7 -26.1 122.0 -5.0 48 48 A I E - D 0 59C 34 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.937 24.2-174.1-137.6 114.1 -29.2 121.1 -6.9 49 49 A E E - D 0 58C 120 9,-2.4 9,-2.9 -2,-0.4 -2,-0.0 -0.953 25.0-120.9-121.7 121.5 -28.8 117.8 -8.7 50 50 A Q E - D 0 57C 122 -2,-0.5 2,-0.8 7,-0.3 7,-0.3 -0.265 24.2-127.4 -57.3 137.3 -31.4 116.4 -11.1 51 51 A R > - 0 0 8 5,-3.0 3,-1.5 3,-0.1 5,-0.4 -0.815 65.0 -52.2 -90.0 112.9 -32.8 113.0 -10.0 52 52 A G T 3 S- 0 0 44 -2,-0.8 -2,-0.0 1,-0.2 211,-0.0 -0.304 103.1 -43.7 60.0-136.9 -32.4 110.6 -12.9 53 53 A M T 3 S+ 0 0 155 374,-0.2 -1,-0.2 2,-0.0 2,-0.0 0.176 111.7 100.1-110.9 15.2 -33.8 112.0 -16.2 54 54 A G S < S- 0 0 7 -3,-1.5 -3,-0.1 2,-0.1 373,-0.0 -0.116 88.1 -94.4 -94.0-168.2 -37.0 113.4 -14.7 55 55 A F S S+ 0 0 135 -5,-0.1 84,-4.0 83,-0.0 2,-0.2 0.349 92.9 88.9 -93.3 7.1 -38.1 116.8 -13.6 56 56 A N E - F 0 138C 13 -5,-0.4 -5,-3.0 82,-0.3 2,-0.3 -0.677 51.1-178.1-103.5 165.0 -37.2 116.4 -9.9 57 57 A S E -DF 50 137C 2 80,-2.0 80,-3.3 -7,-0.3 2,-0.6 -0.967 31.0-111.6-153.4 160.1 -33.9 117.2 -8.2 58 58 A I E -DF 49 136C 18 -9,-2.9 -9,-2.4 -2,-0.3 2,-0.5 -0.909 31.9-160.4-100.2 119.9 -32.2 117.1 -4.8 59 59 A G E -DF 48 135C 0 76,-2.6 76,-2.3 -2,-0.6 2,-0.5 -0.886 4.1-165.6-104.2 122.6 -31.7 120.6 -3.4 60 60 A T E -DF 47 134C 5 -13,-2.7 -14,-2.2 -2,-0.5 -13,-1.4 -0.957 14.9-171.6-111.5 123.0 -29.1 120.9 -0.6 61 61 A F E -DF 45 133C 4 72,-3.4 72,-2.1 -2,-0.5 2,-0.5 -0.846 22.2-144.0-119.7 145.6 -29.2 124.2 1.2 62 62 A K E +DF 44 132C 2 -18,-2.8 -19,-2.6 -2,-0.3 -18,-1.7 -0.951 39.6 149.5-104.7 129.9 -27.2 126.1 3.8 63 63 A A E -DF 42 131C 2 68,-2.7 68,-2.8 -2,-0.5 2,-0.4 -0.866 45.2-121.1-145.1 174.8 -29.2 128.1 6.2 64 64 A I E -DF 41 130C 1 -23,-2.4 -23,-3.0 -2,-0.3 2,-0.4 -1.000 26.3-151.4-123.1 126.8 -29.4 129.4 9.8 65 65 A V E -D 40 0C 0 64,-2.9 2,-0.5 -2,-0.4 -25,-0.2 -0.848 6.0-154.7 -98.8 135.1 -32.4 128.2 11.8 66 66 A K E +D 39 0C 14 -27,-3.0 -27,-2.4 -2,-0.4 2,-0.4 -0.957 17.2 174.0-113.5 130.8 -33.7 130.5 14.6 67 67 A L E +DG 38 127C 8 60,-2.1 60,-3.0 -2,-0.5 2,-0.3 -0.998 5.7 170.3-138.2 134.4 -35.6 129.0 17.5 68 68 A S E +DG 37 126C 21 -31,-1.7 -31,-2.9 -2,-0.4 2,-0.3 -0.991 8.9 148.9-144.0 147.0 -36.9 130.6 20.7 69 69 A W E - G 0 125C 4 56,-1.4 56,-3.3 -2,-0.3 2,-0.5 -0.950 44.6 -99.1-164.2 166.5 -39.2 129.3 23.5 70 70 A V E - G 0 124C 60 -35,-0.3 2,-0.6 -2,-0.3 54,-0.3 -0.874 25.6-169.5-103.4 127.5 -39.6 129.7 27.2 71 71 A D > - 0 0 0 52,-3.3 3,-1.5 -2,-0.5 -44,-0.1 -0.898 4.3-168.6-112.5 102.8 -38.2 127.1 29.6 72 72 A T G > S+ 0 0 39 -46,-1.0 3,-0.8 -2,-0.6 -45,-0.1 0.656 84.6 65.5 -64.1 -17.7 -39.5 127.8 33.2 73 73 A I G 3 S+ 0 0 14 -47,-0.3 -1,-0.3 1,-0.2 -57,-0.1 0.780 99.0 53.9 -72.5 -25.9 -37.0 125.3 34.6 74 74 A L G < S+ 0 0 0 -3,-1.5 49,-0.4 49,-0.2 -1,-0.2 0.167 82.4 120.5 -97.9 17.4 -34.2 127.7 33.6 75 75 A R < + 0 0 135 -3,-0.8 2,-0.3 47,-0.2 47,-0.2 -0.565 33.8 173.5 -80.9 146.5 -35.4 130.8 35.3 76 76 A W - 0 0 23 45,-2.1 47,-0.1 -2,-0.2 -2,-0.0 -0.993 37.7-106.2-145.6 160.0 -33.5 132.7 37.9 77 77 A D - 0 0 117 -2,-0.3 2,-2.5 1,-0.1 5,-0.2 -0.714 31.4-135.0 -84.8 119.4 -33.8 136.0 39.8 78 78 A P + 0 0 63 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 -0.264 66.7 108.3 -77.8 57.9 -31.2 138.4 38.3 79 79 A E > - 0 0 102 -2,-2.5 3,-2.3 3,-0.2 5,-0.2 -0.888 70.0 -34.8-125.0 159.2 -29.9 139.8 41.7 80 80 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.221 125.1 23.1 -51.8 142.9 -26.6 139.2 43.4 81 81 A P T 3 S+ 0 0 62 0, 0.0 -79,-0.2 0, 0.0 -72,-0.1 -0.970 137.7 37.4 -91.0 11.6 -24.8 136.8 43.5 82 82 A F S < S+ 0 0 49 -3,-2.3 2,-2.5 -5,-0.2 -3,-0.2 -0.304 70.2 151.3-111.5 46.4 -26.5 135.8 40.2 83 83 A D + 0 0 71 -5,-0.2 2,-0.4 2,-0.0 -77,-0.1 -0.394 28.8 129.1 -78.3 63.7 -26.8 139.3 38.7 84 84 A F - 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