==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ACETYLCHOLINE-BINDING PROTEIN 26-MAR-12 4AOD . COMPND 2 MOLECULE: ACETYLCHOLINE-BINDING PROTEIN TYPE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BIOMPHALARIA GLABRATA; . AUTHOR M.SAUR,V.MOELLER,K.KAPETANOPOULOS,S.BRAUKMANN,W.GEBAUER,S.TE . 1025 5 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48874.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 660 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 345 33.7 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 . 5 0.5 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 . 125 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 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 0 PARALLEL BRIDGES PER LADDER . 5 5 10 5 5 0 10 0 0 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 5 0 0 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 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 1 0, 0.0 2,-0.5 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-150.3 139.5 172.1 204.8 2 2 A R > - 0 0 109 848,-0.2 4,-1.8 1,-0.2 847,-0.5 -0.787 360.0-150.6 -91.9 132.4 142.2 173.7 202.7 3 3 A R H > S+ 0 0 147 845,-9.9 4,-2.1 -2,-0.5 846,-0.2 0.864 97.1 57.3 -67.5 -36.0 142.5 172.2 199.3 4 4 A S H > S+ 0 0 31 844,-0.7 4,-1.2 1,-0.2 -1,-0.2 0.910 109.7 43.8 -62.0 -43.4 146.2 173.1 199.2 5 5 A R H > S+ 0 0 10 1,-0.2 4,-1.9 843,-0.2 -1,-0.2 0.866 108.7 61.3 -66.0 -36.8 146.8 171.1 202.4 6 6 A S H X S+ 0 0 7 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.907 102.2 48.7 -59.1 -45.5 144.6 168.4 201.0 7 7 A E H X S+ 0 0 76 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.881 107.1 59.1 -64.1 -35.7 146.8 167.7 198.0 8 8 A I H X S+ 0 0 47 -4,-1.2 4,-2.2 1,-0.2 5,-0.3 0.946 107.0 42.6 -61.3 -51.7 149.8 167.6 200.3 9 9 A L H X S+ 0 0 23 -4,-1.9 4,-3.1 1,-0.2 5,-0.3 0.939 116.0 48.8 -64.2 -43.7 148.7 164.7 202.5 10 10 A Q H X>S+ 0 0 84 -4,-1.8 4,-3.5 1,-0.2 5,-0.7 0.901 110.4 50.8 -64.2 -40.8 147.4 162.7 199.6 11 11 A D H X>S+ 0 0 14 -4,-2.7 5,-3.0 -5,-0.2 4,-1.4 0.928 116.8 39.5 -64.7 -42.8 150.5 163.1 197.6 12 12 A V H <>S+ 0 0 48 -4,-2.2 5,-0.7 3,-0.2 -2,-0.2 0.894 125.7 37.2 -69.6 -44.3 152.7 162.0 200.4 13 13 A L H <5S+ 0 0 67 -4,-3.1 -2,-0.2 -5,-0.3 -3,-0.2 0.868 126.1 34.3 -74.4 -45.0 150.4 159.3 201.6 14 14 A S H <5S+ 0 0 95 -4,-3.5 -3,-0.2 -5,-0.3 -2,-0.1 0.875 138.1 8.7 -81.6 -40.0 149.1 158.0 198.3 15 15 A R T <> - B 0 49A 24 5,-2.3 4,-2.4 -2,-0.4 5,-1.1 -0.939 5.7-173.4-123.9 109.8 154.3 147.7 244.1 45 45 A V T 45S+ 0 0 82 -2,-0.5 -1,-0.1 2,-0.2 84,-0.1 0.836 86.6 45.4 -67.7 -40.8 156.5 146.2 246.8 46 46 A E T 45S+ 0 0 78 1,-0.2 -1,-0.2 3,-0.1 203,-0.1 0.928 123.6 34.9 -70.7 -43.6 155.4 142.6 246.4 47 47 A N T 45S- 0 0 18 2,-0.1 -2,-0.2 201,-0.1 -1,-0.2 0.744 96.1-137.9 -77.5 -29.9 155.8 142.7 242.6 48 48 A D T <5 + 0 0 13 -4,-2.4 78,-2.7 1,-0.3 2,-0.3 0.926 58.3 134.2 63.2 45.2 158.7 145.1 242.6 49 49 A E E < -BD 44 125A 11 -5,-1.1 -5,-2.3 76,-0.2 2,-0.4 -0.945 39.5-160.4-124.5 147.4 157.2 146.9 239.7 50 50 A V E -BD 43 124A 5 74,-2.3 74,-2.1 -2,-0.3 2,-0.5 -0.958 10.3-137.8-129.8 148.3 156.9 150.7 239.3 51 51 A D E -BD 42 123A 0 -9,-2.8 -10,-0.7 -2,-0.4 -9,-0.6 -0.899 17.0-172.1-112.3 132.6 154.6 152.7 237.1 52 52 A I E -BD 40 122A 11 70,-2.3 70,-2.5 -2,-0.5 2,-0.6 -0.951 16.4-153.8-121.8 138.1 155.6 155.7 235.1 53 53 A G E +BD 39 121A 8 -14,-3.0 -14,-2.5 -2,-0.4 -15,-1.5 -0.987 39.5 153.3-109.7 118.9 153.4 158.1 233.2 54 54 A L E -BD 37 120A 11 66,-2.4 66,-3.4 -2,-0.6 2,-0.4 -0.934 38.6-144.0-137.3 151.9 155.7 159.5 230.5 55 55 A W E -BD 36 119A 56 -19,-1.7 -19,-2.2 -2,-0.3 2,-0.5 -0.998 20.5-142.1-122.9 148.7 155.5 161.0 227.1 56 56 A T E -B 35 0A 11 62,-2.2 2,-0.6 -2,-0.4 -21,-0.2 -0.881 2.5-149.0-110.6 127.9 158.2 160.2 224.7 57 57 A T E -B 34 0A 32 -23,-2.5 -23,-1.5 -2,-0.5 2,-0.5 -0.787 21.4-179.0 -93.5 124.0 159.5 162.8 222.3 58 58 A L E +BE 33 116A 9 58,-2.0 58,-2.3 -2,-0.6 2,-0.4 -0.984 4.3 179.2-125.9 130.1 160.7 161.1 219.1 59 59 A V E +BE 32 115A 41 -27,-1.7 -27,-1.8 -2,-0.5 2,-0.3 -0.990 9.7 152.5-131.5 140.6 162.1 163.0 216.2 60 60 A W E - E 0 114A 6 54,-1.7 54,-3.1 -2,-0.4 2,-0.5 -0.984 35.4-123.7-153.8 161.9 163.4 161.6 212.9 61 61 A K E - E 0 113A 124 -31,-0.5 2,-0.3 -2,-0.3 52,-0.2 -0.949 22.4-170.9-114.3 131.7 163.8 162.7 209.3 62 62 A D - 0 0 37 50,-1.8 2,-0.5 -2,-0.5 -41,-0.1 -0.825 29.8-112.8-110.3 155.1 162.3 160.7 206.5 63 63 A R + 0 0 173 -2,-0.3 2,-0.3 50,-0.0 49,-0.1 -0.783 40.9 179.3 -87.7 123.4 163.1 161.3 202.8 64 64 A C - 0 0 50 -2,-0.5 2,-0.4 47,-0.2 -52,-0.0 -0.878 23.3-123.2-123.6 159.6 160.1 162.6 201.0 65 65 A L - 0 0 92 -2,-0.3 2,-0.4 -53,-0.1 -49,-0.1 -0.868 10.6-141.6-106.9 141.2 159.7 163.6 197.4 66 66 A N + 0 0 95 -2,-0.4 3,-0.1 1,-0.2 44,-0.0 -0.809 35.1 156.1 -91.7 133.6 158.5 167.0 196.3 67 67 A W + 0 0 118 1,-0.7 -1,-0.2 -2,-0.4 3,-0.1 0.552 56.6 43.8-121.9 -87.0 156.4 166.6 193.3 68 68 A F S S- 0 0 84 1,-0.2 -1,-0.7 -60,-0.0 2,-0.1 -0.383 111.8 -88.7 -59.7 135.8 153.9 169.3 192.5 69 69 A N - 0 0 94 1,-0.1 2,-0.4 -3,-0.1 -1,-0.2 -0.328 44.4-113.1 -63.3 129.8 156.0 172.4 193.1 70 70 A E - 0 0 112 -3,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.429 39.8-179.0 -64.4 117.0 155.8 173.5 196.6 71 71 A F - 0 0 153 -2,-0.4 2,-0.6 1,-0.1 -3,-0.0 -0.616 53.0 -66.9-102.0 175.2 154.0 176.8 196.8 72 72 A T S S+ 0 0 127 -2,-0.2 2,-0.2 1,-0.0 -1,-0.1 -0.474 91.2 128.5 -63.6 110.9 153.5 178.6 200.1 73 73 A S - 0 0 44 -2,-0.6 2,-0.4 -69,-0.0 -68,-0.0 -0.707 62.0 -27.8-148.8-163.4 151.2 176.2 201.6 74 74 A F - 0 0 27 -2,-0.2 3,-0.1 1,-0.2 -3,-0.1 -0.489 51.8-168.6 -71.0 114.1 150.5 174.0 204.6 75 75 A K + 0 0 148 -2,-0.4 35,-0.9 1,-0.2 2,-0.4 0.809 68.3 26.5 -74.3 -42.4 154.0 173.4 206.1 76 76 A E E -F 109 0A 26 33,-0.2 2,-0.4 34,-0.1 33,-0.2 -0.980 67.6-170.2-123.9 137.9 153.1 170.7 208.6 77 77 A L E -F 108 0A 7 31,-1.5 31,-2.4 -2,-0.4 2,-0.4 -0.976 16.8-132.5-123.0 158.8 150.3 168.3 208.5 78 78 A T E +F 107 0A 5 -2,-0.4 29,-0.2 29,-0.2 894,-0.1 -0.758 29.9 165.8-105.4 145.8 149.2 166.0 211.0 79 79 A V E -F 106 0A 11 27,-2.0 27,-3.1 -2,-0.4 2,-0.1 -0.987 42.2 -84.8-152.3 159.0 148.4 162.4 210.4 80 80 A P E > -F 105 0A 61 0, 0.0 3,-1.5 0, 0.0 4,-0.5 -0.422 36.4-124.7 -66.6 146.4 147.8 159.2 212.2 81 81 A I G > S+ 0 0 4 23,-1.8 3,-0.8 1,-0.3 24,-0.1 0.741 108.4 67.8 -62.4 -29.8 150.9 157.3 213.3 82 82 A A G 3 S+ 0 0 77 22,-0.4 -1,-0.3 1,-0.2 4,-0.1 0.831 90.4 64.3 -59.9 -33.1 149.6 154.3 211.5 83 83 A E G < S+ 0 0 106 -3,-1.5 2,-0.3 2,-0.1 -1,-0.2 0.827 107.5 38.0 -62.4 -34.6 150.1 156.1 208.2 84 84 A I S < S- 0 0 38 -3,-0.8 2,-0.1 -4,-0.5 -65,-0.0 -0.781 92.9 -90.2-123.6 162.1 153.8 156.3 208.5 85 85 A W - 0 0 67 -2,-0.3 -2,-0.1 -65,-0.1 -1,-0.0 -0.426 41.9-169.5 -67.9 137.7 156.8 154.3 209.7 86 86 A T - 0 0 30 -2,-0.1 2,-0.1 -4,-0.1 -1,-0.0 -0.930 26.8 -96.7-128.3 153.9 157.7 154.7 213.3 87 87 A P - 0 0 14 0, 0.0 -27,-0.0 0, 0.0 -29,-0.0 -0.370 24.4-124.7 -72.6 153.3 160.7 153.5 215.2 88 88 A D + 0 0 19 -2,-0.1 58,-0.6 2,-0.0 221,-0.2 -0.006 47.4 159.9 -79.1 12.6 160.7 150.3 217.3 89 89 A I E +J 145 0B 30 56,-0.2 2,-0.3 54,-0.1 56,-0.2 -0.257 15.1 173.0 -49.5 125.8 161.8 152.0 220.5 90 90 A F E -J 144 0B 74 54,-1.9 54,-1.5 219,-0.1 2,-0.4 -0.960 38.7-109.7-136.7 153.4 160.9 149.7 223.4 91 91 A I E > -J 143 0B 19 -2,-0.3 3,-0.8 216,-0.3 52,-0.2 -0.684 27.1-145.0 -79.6 130.4 161.5 149.6 227.1 92 92 A F T 3 S+ 0 0 25 50,-2.7 -1,-0.2 -2,-0.4 2,-0.1 0.894 90.8 32.9 -68.3 -39.3 163.8 146.7 227.8 93 93 A D T 3 S+ 0 0 41 49,-0.2 32,-1.6 32,-0.1 2,-0.3 -0.317 74.4 151.6-117.9 56.6 162.3 145.6 231.1 94 94 A S B < -G 124 0A 0 -3,-0.8 30,-0.3 213,-0.2 3,-0.1 -0.639 33.7-155.9 -81.5 139.1 158.7 146.4 230.9 95 95 A V S S+ 0 0 5 28,-2.6 2,-0.3 -2,-0.3 -1,-0.2 0.830 77.9 16.4 -75.8 -36.8 156.6 144.0 233.1 96 96 A G S S- 0 0 8 27,-0.8 27,-0.4 211,-0.1 -1,-0.1 -0.847 97.9 -76.9-135.2 169.2 153.6 144.6 231.0 97 97 A A - 0 0 71 -2,-0.3 210,-0.1 1,-0.1 2,-0.1 -0.442 56.6-115.4 -64.9 135.4 152.6 145.9 227.6 98 98 A P - 0 0 42 0, 0.0 2,-0.3 0, 0.0 24,-0.2 -0.429 26.8-136.9 -71.7 149.2 152.7 149.6 227.8 99 99 A E E -H 121 0A 61 22,-1.7 22,-1.7 820,-0.1 2,-0.6 -0.795 12.7-122.9-109.3 155.7 149.4 151.4 227.3 100 100 A I E -H 120 0A 84 -2,-0.3 20,-0.2 20,-0.2 4,-0.1 -0.857 22.4-178.7-105.9 119.6 148.9 154.5 225.2 101 101 A F + 0 0 6 18,-2.4 814,-0.3 -2,-0.6 817,-0.2 0.833 65.2 50.4 -75.9 -39.4 147.4 157.6 226.8 102 102 A S S S- 0 0 2 17,-0.8 814,-0.1 1,-0.1 17,-0.1 -0.543 91.3 -88.5-111.5 169.2 147.3 159.8 223.8 103 103 A D - 0 0 0 809,-0.2 2,-1.5 -2,-0.2 -1,-0.1 -0.359 43.7-114.2 -67.2 149.0 146.1 159.7 220.2 104 104 A K + 0 0 81 14,-0.1 -23,-1.8 -4,-0.1 2,-0.4 -0.654 63.7 139.8 -90.6 89.6 148.5 158.4 217.8 105 105 A L E -F 80 0A 10 -2,-1.5 12,-0.6 -25,-0.3 2,-0.4 -0.977 30.0-168.4-130.3 140.8 149.1 161.5 215.7 106 106 A A E -FI 79 116A 1 -27,-3.1 -27,-2.0 -2,-0.4 2,-0.4 -0.994 17.2-135.2-133.7 139.9 152.4 162.8 214.3 107 107 A R E -FI 78 115A 6 8,-1.9 8,-2.8 -2,-0.4 2,-0.3 -0.757 23.6-162.6 -89.7 136.3 153.2 166.1 212.8 108 108 A V E -FI 77 114A 36 -31,-2.4 -31,-1.5 -2,-0.4 2,-0.3 -0.908 1.9-151.0-120.9 149.1 155.2 165.9 209.6 109 109 A S E > -F 76 0A 34 4,-2.6 3,-1.9 -2,-0.3 -33,-0.2 -0.830 26.8-114.2-121.1 160.4 157.2 168.7 208.0 110 110 A Q T 3 S+ 0 0 148 -35,-0.9 -46,-0.2 1,-0.3 -1,-0.1 0.821 114.7 62.1 -60.5 -37.5 158.2 169.4 204.4 111 111 A D T 3 S- 0 0 75 1,-0.1 -1,-0.3 2,-0.1 -47,-0.2 0.687 124.9-105.0 -65.1 -15.2 161.8 168.8 205.1 112 112 A G S < S+ 0 0 7 -3,-1.9 -50,-1.8 1,-0.4 -2,-0.2 0.241 74.5 145.1 110.8 -9.8 160.7 165.3 205.9 113 113 A T E -E 61 0A 23 -52,-0.2 -4,-2.6 -5,-0.1 2,-0.4 -0.326 30.1-163.5 -67.1 140.0 161.1 165.9 209.6 114 114 A V E -EI 60 108A 3 -54,-3.1 -54,-1.7 -6,-0.2 2,-0.5 -0.971 10.6-164.3-128.1 140.1 158.6 164.1 211.8 115 115 A T E +EI 59 107A 22 -8,-2.8 -8,-1.9 -2,-0.4 2,-0.4 -0.974 13.1 173.5-124.2 120.9 157.7 164.6 215.4 116 116 A Y E -EI 58 106A 12 -58,-2.3 -58,-2.0 -2,-0.5 -10,-0.1 -0.990 5.8-178.5-127.7 128.8 155.7 162.0 217.2 117 117 A V - 0 0 30 -12,-0.6 2,-0.2 -2,-0.4 -12,-0.2 -0.864 4.4-173.0-132.1 103.0 155.0 162.1 220.9 118 118 A P - 0 0 9 0, 0.0 -62,-2.2 0, 0.0 2,-0.4 -0.599 17.4-139.5 -86.3 153.9 153.1 159.3 222.5 119 119 A Q E +D 55 0A 5 -64,-0.2 -18,-2.4 -2,-0.2 -17,-0.8 -0.934 32.8 177.1-109.9 138.6 152.0 159.4 226.1 120 120 A L E -DH 54 100A 38 -66,-3.4 -66,-2.4 -2,-0.4 2,-0.5 -0.975 34.3-146.7-145.5 154.6 152.4 156.1 227.9 121 121 A K E -DH 53 99A 21 -22,-1.7 -22,-1.7 -2,-0.3 2,-0.4 -0.987 30.9-173.5-114.5 128.2 152.1 154.3 231.2 122 122 A V E -D 52 0A 1 -70,-2.5 -70,-2.3 -2,-0.5 2,-0.5 -0.969 20.5-151.5-129.8 143.3 154.7 151.8 231.6 123 123 A R E +D 51 0A 84 -27,-0.4 -28,-2.6 -2,-0.4 -27,-0.8 -0.949 27.2 173.5-108.1 126.2 155.3 149.1 234.2 124 124 A L E -DG 50 94A 2 -74,-2.1 -74,-2.3 -2,-0.5 2,-0.3 -0.911 38.0 -94.0-131.8 159.3 159.0 148.3 234.7 125 125 A S E +D 49 0A 20 -32,-1.6 15,-0.3 -2,-0.3 -76,-0.2 -0.544 60.6 137.2 -73.5 133.2 160.9 146.2 237.1 126 126 A a - 0 0 7 -78,-2.7 2,-0.5 -2,-0.3 -82,-0.2 -0.784 51.6-119.7-174.2 129.6 162.3 148.1 240.0 127 127 A P - 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