==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ACETYLCHOLINE-BINDING PROTEIN 03-AUG-12 4B5D . COMPND 2 MOLECULE: CAPITELLA TELETA ACHBP; . SOURCE 2 ORGANISM_SCIENTIFIC: CAPITELLA TELETA; . AUTHOR M.NYS,C.ULENS . 1055 5 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43047.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 773 73.3 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 . 373 35.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 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 . 173 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 6.7 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 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 . 4 9 6 15 0 0 0 0 10 1 4 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 1 4 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 72 0, 0.0 4,-1.5 0, 0.0 876,-0.2 0.000 360.0 360.0 360.0 132.7 50.4 4.8 37.8 2 3 A G H > + 0 0 3 874,-3.4 4,-1.2 1,-0.2 874,-0.2 0.866 360.0 53.0 -61.9 -39.2 47.7 3.1 35.8 3 4 A L H >> S+ 0 0 66 872,-1.6 4,-2.2 1,-0.2 3,-0.5 0.930 106.8 50.6 -63.5 -47.9 45.4 2.7 38.7 4 5 A M H 3> S+ 0 0 44 1,-0.2 4,-2.4 871,-0.2 -1,-0.2 0.816 104.3 60.0 -61.9 -30.1 45.4 6.4 39.7 5 6 A A H 3X S+ 0 0 10 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.868 108.6 43.4 -65.6 -36.5 44.7 7.3 36.1 6 7 A K H < S+ 0 0 21 -4,-2.5 3,-0.9 1,-0.2 4,-0.4 0.932 114.7 47.4 -67.8 -43.3 36.0 13.6 37.2 13 14 A L H 3X S+ 0 0 2 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.558 88.5 87.2 -76.9 -9.2 33.0 11.8 35.6 14 15 A N H 3X S+ 0 0 76 -4,-0.7 4,-2.1 -3,-0.3 5,-0.3 0.896 84.1 56.7 -56.9 -38.8 31.3 11.5 38.9 15 16 A T H <> S+ 0 0 34 -3,-0.9 4,-2.5 -4,-0.5 5,-0.3 0.913 109.4 43.9 -60.7 -45.0 29.7 14.9 38.4 16 17 A Y H > S+ 0 0 9 -4,-0.4 4,-1.1 3,-0.2 -1,-0.2 0.741 110.6 56.6 -69.5 -26.3 28.1 13.9 35.1 17 18 A E H < S+ 0 0 105 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.890 117.4 32.6 -74.6 -40.0 27.0 10.5 36.5 18 19 A Q H < S+ 0 0 135 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.923 132.9 28.4 -76.0 -51.0 25.0 12.1 39.4 19 20 A L H < S- 0 0 16 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.654 106.7-120.4 -92.2 -19.1 23.8 15.3 37.7 20 21 A G < - 0 0 16 -4,-1.1 -1,-0.2 -5,-0.3 74,-0.1 -0.131 19.6 -91.3 96.5 165.4 23.6 14.3 34.0 21 22 A K S S+ 0 0 95 72,-0.1 74,-0.1 -4,-0.1 -1,-0.1 0.561 88.6 104.9 -92.7 -14.3 25.3 15.5 30.8 22 23 A S + 0 0 20 -3,-0.1 72,-0.1 -6,-0.1 199,-0.1 -0.400 61.6 43.3 -68.6 146.8 22.6 18.0 29.9 23 24 A G S S- 0 0 5 -2,-0.1 71,-0.0 2,-0.1 275,-0.0 0.132 99.7 -53.6 96.9 148.5 23.4 21.7 30.4 24 25 A L - 0 0 19 1,-0.2 2,-2.6 7,-0.1 46,-0.0 -0.219 63.2-104.8 -57.5 141.3 26.4 24.0 29.8 25 26 A P S S+ 0 0 0 0, 0.0 46,-1.1 0, 0.0 47,-0.4 -0.326 81.4 109.9 -77.2 68.0 29.5 22.6 31.4 26 27 A F + 0 0 32 -2,-2.6 4,-0.1 45,-0.1 44,-0.0 -0.997 37.5 179.3-134.0 140.5 29.8 25.0 34.3 27 28 A L S S+ 0 0 46 -2,-0.4 188,-1.9 187,-0.2 189,-0.3 0.703 82.8 37.0-106.5 -34.1 29.3 24.3 38.0 28 29 A D S S- 0 0 126 1,-0.3 186,-3.4 186,-0.2 187,-0.2 0.301 127.0 -8.2 -82.2-137.7 30.0 27.8 39.3 29 30 A D S S- 0 0 141 184,-0.2 2,-0.6 1,-0.1 -1,-0.3 -0.348 77.6-117.3 -62.6 134.9 28.9 30.8 37.2 30 31 A I + 0 0 70 -3,-0.1 -1,-0.1 -4,-0.1 2,-0.0 -0.634 46.1 165.5 -75.4 115.9 27.5 29.9 33.8 31 32 A G - 0 0 34 -2,-0.6 2,-0.4 127,-0.1 -1,-0.1 0.086 38.9 -65.9-105.9-140.9 29.6 31.4 31.1 32 33 A K - 0 0 101 127,-0.0 2,-0.4 -2,-0.0 127,-0.2 -0.971 33.0-140.3-121.8 127.9 30.1 30.9 27.3 33 34 A V E -a 159 0A 3 125,-2.6 127,-3.4 -2,-0.4 2,-0.6 -0.742 14.2-159.2 -80.7 131.5 31.4 27.8 25.6 34 35 A D E -a 160 0A 57 -2,-0.4 2,-0.3 125,-0.2 127,-0.2 -0.876 9.1-160.1-115.0 98.2 33.6 28.8 22.7 35 36 A V E -a 161 0A 0 125,-3.1 127,-2.6 -2,-0.6 2,-0.5 -0.612 7.5-148.0 -79.1 128.8 33.8 25.8 20.3 36 37 A K E -aB 162 67A 84 31,-3.4 31,-1.7 -2,-0.3 2,-0.4 -0.901 23.7-166.6 -94.7 129.6 36.8 25.6 17.9 37 38 A F E +aB 163 66A 1 125,-2.6 127,-2.8 -2,-0.5 2,-0.4 -0.960 15.3 175.0-129.1 129.7 35.5 23.9 14.8 38 39 A G E - B 0 65A 2 27,-2.2 27,-3.1 -2,-0.4 2,-0.6 -0.994 16.5-155.2-134.2 140.5 37.4 22.5 11.8 39 40 A L E - B 0 64A 5 130,-0.4 132,-4.0 -2,-0.4 2,-0.6 -0.970 12.7-172.0-115.7 114.2 36.2 20.5 8.8 40 41 A S E -cB 171 63A 0 23,-2.5 23,-2.9 -2,-0.6 2,-0.2 -0.921 15.4-143.1-110.8 109.9 38.9 18.3 7.2 41 42 A L E + B 0 62A 9 130,-1.7 133,-0.3 -2,-0.6 21,-0.2 -0.491 24.7 170.7 -71.9 130.9 37.8 16.7 3.9 42 43 A Q E - 0 0 0 19,-2.4 134,-2.9 1,-0.4 2,-0.3 0.805 58.1 -35.3 -99.3 -55.0 39.1 13.1 3.3 43 44 A L E - B 0 61A 2 18,-1.8 18,-2.6 132,-0.2 2,-0.6 -0.980 48.8-104.0-164.0 168.6 37.2 12.0 0.2 44 45 A L E - B 0 60A 10 -2,-0.3 16,-0.2 16,-0.2 3,-0.1 -0.915 21.4-173.0-105.1 121.2 34.1 12.0 -1.9 45 46 A K E - 0 0 48 14,-2.7 2,-0.3 -2,-0.6 15,-0.2 0.926 65.3 -31.1 -76.6 -45.2 32.0 8.9 -1.8 46 47 A S E - B 0 59A 17 13,-1.4 13,-2.8 852,-0.1 2,-0.4 -0.971 38.8-150.9-170.1 146.4 29.5 9.9 -4.5 47 48 A I E - B 0 58A 48 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.966 26.0-176.8-127.7 119.3 27.8 12.7 -6.3 48 49 A E E - B 0 57A 115 9,-2.1 9,-3.1 -2,-0.4 -2,-0.0 -0.960 26.5-118.1-123.7 125.5 24.4 11.6 -7.7 49 50 A Q E - B 0 56A 124 -2,-0.5 2,-0.7 7,-0.3 7,-0.3 -0.310 22.5-132.5 -57.1 134.1 22.1 13.8 -9.8 50 51 A R > - 0 0 21 5,-2.5 3,-1.5 3,-0.1 5,-0.3 -0.875 69.1 -45.7 -90.0 117.2 18.6 14.4 -8.3 51 52 A G T 3 S- 0 0 59 -2,-0.7 -2,-0.0 1,-0.2 372,-0.0 -0.343 105.1 -47.9 57.3-136.5 16.1 13.7 -11.1 52 53 A M T 3 S+ 0 0 184 -2,-0.0 -1,-0.2 -3,-0.0 -3,-0.0 0.055 110.5 102.5-114.8 22.0 17.2 15.3 -14.4 53 54 A G S < S- 0 0 35 -3,-1.5 -3,-0.1 2,-0.2 -2,-0.0 -0.012 87.4 -93.3 -94.7-161.9 17.9 18.7 -12.9 54 55 A F S S+ 0 0 143 -5,-0.1 84,-3.2 83,-0.0 2,-0.2 0.467 94.4 88.6 -97.6 -2.3 21.0 20.6 -11.9 55 56 A N E + D 0 137A 24 -5,-0.3 -5,-2.5 82,-0.2 2,-0.3 -0.611 51.6 177.1 -93.7 157.9 21.1 19.5 -8.3 56 57 A S E -BD 49 136A 2 80,-2.1 80,-3.4 -7,-0.3 2,-0.6 -0.968 32.5-110.1-150.9 162.7 22.7 16.4 -6.9 57 58 A I E -BD 48 135A 13 -9,-3.1 -9,-2.1 -2,-0.3 2,-0.5 -0.886 30.7-159.2-100.1 120.6 23.3 14.7 -3.6 58 59 A G E -BD 47 134A 0 76,-3.2 76,-2.3 -2,-0.6 2,-0.5 -0.872 3.1-163.9-100.8 128.7 26.9 14.8 -2.5 59 60 A T E -BD 46 133A 5 -13,-2.8 -14,-2.7 -2,-0.5 -13,-1.4 -0.957 15.0-176.5-114.4 120.1 28.1 12.3 0.1 60 61 A F E -BD 44 132A 3 72,-3.6 72,-2.5 -2,-0.5 2,-0.5 -0.814 24.1-144.7-118.6 153.1 31.4 13.1 1.8 61 62 A K E +BD 43 131A 2 -18,-2.6 -19,-2.4 -2,-0.3 -18,-1.8 -0.970 38.8 153.6-112.0 128.6 33.8 11.4 4.3 62 63 A A E -BD 41 130A 2 68,-2.8 68,-3.1 -2,-0.5 2,-0.5 -0.908 45.2-116.4-147.1 170.4 35.5 13.9 6.6 63 64 A I E -BD 40 129A 0 -23,-2.9 -23,-2.5 -2,-0.3 2,-0.6 -0.980 25.7-150.9-112.1 122.1 37.1 14.4 9.9 64 65 A V E -B 39 0A 2 64,-2.5 2,-0.6 -2,-0.5 -25,-0.2 -0.846 10.5-154.8 -94.0 120.8 35.2 16.9 12.2 65 66 A K E +B 38 0A 6 -27,-3.1 -27,-2.2 -2,-0.6 2,-0.4 -0.860 17.7 178.0-100.4 119.2 37.7 18.6 14.5 66 67 A L E +BE 37 126A 4 60,-2.6 60,-2.6 -2,-0.6 2,-0.3 -0.942 8.7 170.4-125.7 142.0 36.1 20.0 17.8 67 68 A S E +BE 36 125A 19 -31,-1.7 -31,-3.4 -2,-0.4 2,-0.3 -0.978 9.1 144.7-151.2 140.0 37.5 21.7 20.8 68 69 A W E - E 0 124A 4 56,-1.6 56,-3.8 -2,-0.3 2,-0.5 -0.969 44.6 -97.8-161.2 165.5 36.1 23.5 23.9 69 70 A V E - E 0 123A 79 -2,-0.3 2,-0.6 54,-0.3 54,-0.2 -0.820 25.4-171.7 -96.6 127.3 36.6 24.1 27.6 70 71 A D > - 0 0 0 52,-2.6 3,-1.4 -2,-0.5 -44,-0.1 -0.905 3.3-169.9-118.2 103.5 34.8 21.9 30.1 71 72 A T G > S+ 0 0 47 -46,-1.1 3,-0.9 -2,-0.6 -45,-0.1 0.703 83.7 64.3 -71.3 -18.1 35.4 23.4 33.5 72 73 A I G 3 S+ 0 0 18 -47,-0.4 -1,-0.3 1,-0.2 -57,-0.1 0.818 97.8 57.2 -69.3 -28.0 33.8 20.4 35.2 73 74 A L G < S+ 0 0 3 -3,-1.4 49,-0.4 49,-0.2 2,-0.3 0.089 82.5 120.9 -94.9 25.4 36.6 18.2 33.8 74 75 A R < + 0 0 132 -3,-0.9 2,-0.3 47,-0.2 47,-0.2 -0.629 32.1 167.9 -92.6 145.8 39.5 20.1 35.4 75 76 A W - 0 0 27 45,-2.1 47,-0.1 -2,-0.3 -2,-0.0 -0.975 39.2-108.7-146.4 163.2 42.1 18.8 37.8 76 77 A D - 0 0 104 -2,-0.3 2,-2.6 2,-0.1 5,-0.2 -0.856 31.4-136.9 -97.1 115.9 45.4 19.8 39.3 77 78 A P + 0 0 54 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 -0.284 62.0 112.9 -77.2 60.6 48.2 17.6 37.8 78 79 A E > - 0 0 126 -2,-2.6 3,-1.3 3,-0.3 5,-0.1 -0.970 66.6 -30.8-128.9 148.4 50.2 16.8 40.9 79 80 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.068 124.0 18.9 -44.2 142.1 50.7 13.3 42.5 80 81 A P T 3 S+ 0 0 73 0, 0.0 2,-0.4 0, 0.0 -76,-0.1 -0.997 138.4 38.5 -85.8 1.4 49.0 10.9 42.8 81 82 A F S < S+ 0 0 35 -3,-1.3 2,-1.4 -5,-0.2 -3,-0.3 -0.425 72.3 147.8-105.0 55.7 47.0 12.4 39.8 82 83 A D + 0 0 89 -2,-0.4 2,-0.4 -5,-0.2 -77,-0.1 -0.551 22.4 131.3 -94.3 73.0 49.9 13.8 37.8 83 84 A F - 0 0 31 -2,-1.4 3,-0.1 -5,-0.1 37,-0.1 -0.948 48.1-154.4-122.2 139.9 48.6 13.3 34.3 84 85 A Q S S+ 0 0 165 -2,-0.4 36,-2.1 1,-0.2 2,-0.3 0.746 80.6 4.9 -84.6 -24.3 48.7 16.0 31.6 85 86 A K E -F 119 0A 65 34,-0.3 2,-0.3 35,-0.1 34,-0.2 -0.984 59.6-158.2-153.6 162.4 45.7 14.5 29.8 86 87 A I E -F 118 0A 3 32,-2.6 32,-3.0 -2,-0.3 2,-0.4 -0.997 20.9-123.6-144.9 146.9 43.2 11.7 29.9 87 88 A E E +F 117 0A 20 -2,-0.3 2,-0.3 30,-0.2 30,-0.2 -0.735 34.1 174.2 -91.7 138.5 41.0 9.9 27.3 88 89 A I E -F 116 0A 5 28,-2.3 28,-3.6 -2,-0.4 5,-0.0 -0.984 35.3-107.3-142.7 154.5 37.3 9.8 27.7 89 90 A S > - 0 0 32 -2,-0.3 3,-1.8 26,-0.2 4,-0.3 -0.635 24.3-136.9 -79.9 135.4 34.2 8.7 25.8 90 91 A P T 3 S+ 0 0 1 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.648 103.2 65.0 -71.1 -11.6 32.2 11.6 24.4 91 92 A D T 3 S+ 0 0 81 21,-0.3 -70,-0.1 1,-0.2 4,-0.1 0.411 96.7 57.2 -87.2 0.6 29.0 9.8 25.6 92 93 A E S < S+ 0 0 60 -3,-1.8 2,-0.3 2,-0.1 -1,-0.2 0.488 110.4 41.2-103.2 -6.9 30.1 10.3 29.1 93 94 A I S S- 0 0 3 -3,-0.5 2,-0.2 -4,-0.3 -72,-0.1 -0.809 96.0 -79.3-131.8 171.7 30.4 14.1 29.0 94 95 A W - 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