==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RECEPTOR/INHIBITOR 03-MAY-05 2BR8 . COMPND 2 MOLECULE: SOLUBLE ACETYLCHOLINE RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: APLYSIA CALIFORNICA; . AUTHOR P.H.N.CELIE,I.E.KASHEVEROV,D.Y.MORDVINTSEV,R.C.HOGG, . 1105 10 15 15 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44883.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 690 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 358 32.4 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 . 6 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 . 93 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.0 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 1 4 0 0 2 0 2 1 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 4 1 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 . 11 5 10 3 7 0 10 0 0 0 5 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 4 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 Q > 0 0 89 0, 0.0 4,-1.5 0, 0.0 848,-0.0 0.000 360.0 360.0 360.0-138.2 85.9 83.2 7.7 2 2 A A H > + 0 0 79 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.752 360.0 1.2 -26.9 -96.0 89.2 84.8 6.5 3 3 A N H > S+ 0 0 55 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.739 116.5 75.6 -79.6 -24.8 90.0 88.2 8.2 4 4 A L H > S+ 0 0 15 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.876 91.9 53.3 -57.5 -45.8 87.0 88.4 10.5 5 5 A M H X S+ 0 0 70 -4,-1.5 4,-1.6 -3,-0.3 -1,-0.2 0.881 109.0 50.6 -57.8 -41.1 88.2 85.8 13.0 6 6 A R H X S+ 0 0 112 -4,-0.6 4,-2.0 -3,-0.3 -1,-0.2 0.883 108.2 52.9 -62.7 -41.1 91.5 87.7 13.4 7 7 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.931 108.9 47.0 -63.6 -50.5 89.7 91.1 14.0 8 8 A K H X>S+ 0 0 40 -4,-2.0 4,-2.4 1,-0.2 5,-0.5 0.868 112.8 51.9 -55.9 -40.6 87.4 89.8 16.8 9 9 A S H X5S+ 0 0 59 -4,-1.6 4,-0.9 -5,-0.2 -1,-0.2 0.863 111.1 46.3 -67.1 -39.4 90.5 88.2 18.4 10 10 A D H X5S+ 0 0 68 -4,-2.0 4,-0.6 3,-0.2 -2,-0.2 0.904 116.5 43.5 -69.6 -44.2 92.5 91.4 18.3 11 11 A L H <5S+ 0 0 33 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.919 127.0 25.7 -70.1 -46.7 89.7 93.6 19.7 12 12 A F H <5S+ 0 0 44 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.944 122.7 44.6 -85.8 -52.6 88.5 91.4 22.5 13 13 A N H < + B 0 47A 41 5,-2.8 5,-1.2 -2,-0.4 83,-0.1 -0.948 13.9 178.2-117.0 121.4 45.9 94.8 35.7 43 43 A S T 5S+ 0 0 68 -2,-0.5 -1,-0.1 3,-0.2 85,-0.1 0.692 80.1 57.9 -95.7 -23.4 43.4 96.7 37.9 44 44 A S T 5S+ 0 0 87 3,-0.1 2,-0.3 202,-0.0 -1,-0.1 0.903 124.3 25.1 -69.8 -44.4 43.7 94.8 41.2 45 45 A T T 5S- 0 0 4 2,-0.1 2,-0.9 201,-0.1 201,-0.1 -0.710 98.0-116.5-100.8 164.3 47.4 95.7 41.1 46 46 A N T 5 + 0 0 3 199,-0.3 79,-2.9 -2,-0.3 2,-0.4 -0.554 64.7 138.7-102.9 74.9 48.3 98.8 39.2 47 47 A E E < -BD 42 124A 2 -5,-1.2 -5,-2.8 -2,-0.9 2,-0.4 -0.934 33.1-170.9-126.2 135.7 50.4 97.1 36.5 48 48 A V E -BD 41 123A 1 75,-2.4 75,-2.7 -2,-0.4 2,-0.5 -0.976 12.6-147.9-125.9 140.2 50.8 97.5 32.8 49 49 A D E -BD 40 122A 6 -9,-2.3 -10,-1.8 -2,-0.4 -9,-0.5 -0.916 16.1-173.3-111.0 128.7 52.8 95.2 30.4 50 50 A L E -BD 38 121A 0 71,-2.7 71,-2.7 -2,-0.5 2,-0.5 -0.939 16.0-157.3-123.9 144.3 54.5 96.4 27.3 51 51 A V E +BD 37 120A 0 -14,-3.1 -15,-2.8 -2,-0.4 -14,-2.1 -0.987 34.8 144.8-116.5 124.2 56.3 94.8 24.4 52 52 A Y E -BD 35 119A 2 67,-2.2 67,-2.9 -2,-0.5 2,-0.4 -0.943 48.2-117.3-148.4 165.0 58.8 97.0 22.6 53 53 A Y E -BD 34 118A 12 -19,-2.3 -19,-3.1 -2,-0.3 2,-0.5 -0.940 27.9-155.9-102.9 137.3 62.1 97.1 20.8 54 54 A E E -B 33 0A 4 63,-2.3 2,-0.5 -2,-0.4 -21,-0.2 -0.964 3.9-155.9-117.6 111.2 64.7 99.4 22.5 55 55 A Q E -B 32 0A 23 -23,-3.1 -23,-1.0 -2,-0.5 2,-0.4 -0.770 11.1-172.1 -90.5 124.8 67.4 100.8 20.2 56 56 A Q E -BE 31 115A 9 59,-2.7 59,-1.9 -2,-0.5 2,-0.4 -0.957 3.6-176.7-119.7 134.3 70.7 101.8 21.9 57 57 A R E +BE 30 114A 51 -27,-1.4 -27,-2.9 -2,-0.4 2,-0.3 -0.995 13.9 146.6-128.5 133.5 73.6 103.6 20.2 58 58 A W E - E 0 113A 7 55,-1.7 55,-3.0 -2,-0.4 2,-0.4 -0.919 31.7-132.0-149.6 178.3 77.0 104.6 21.6 59 59 A K E - E 0 112A 108 -31,-0.3 2,-0.4 -2,-0.3 53,-0.3 -0.985 12.5-168.8-141.9 127.8 80.6 105.0 20.4 60 60 A L > - 0 0 7 51,-2.4 3,-0.7 -2,-0.4 -2,-0.0 -0.959 17.1-154.4-115.1 132.3 83.9 103.7 21.9 61 61 A N G > S+ 0 0 129 -2,-0.4 3,-1.1 1,-0.2 -1,-0.1 0.854 96.6 63.0 -65.7 -35.2 87.3 104.8 20.7 62 62 A S G 3 S+ 0 0 77 1,-0.3 -1,-0.2 -3,-0.1 49,-0.1 0.603 95.5 60.1 -68.1 -14.2 88.8 101.4 21.9 63 63 A L G < S+ 0 0 17 -3,-0.7 48,-0.5 48,-0.2 -1,-0.3 -0.070 83.1 117.7-104.1 32.7 86.6 99.5 19.4 64 64 A M < + 0 0 86 -3,-1.1 2,-0.3 46,-0.2 46,-0.2 -0.695 34.1 167.8 -98.9 151.4 88.1 101.2 16.3 65 65 A W - 0 0 21 44,-1.5 46,-0.1 -2,-0.3 3,-0.1 -0.981 37.2-111.4-153.4 158.7 90.0 99.6 13.4 66 66 A D > - 0 0 69 -2,-0.3 3,-0.8 1,-0.1 4,-0.3 -0.851 21.8-145.1 -90.0 121.4 91.3 100.4 10.0 67 67 A P G > >S+ 0 0 21 0, 0.0 5,-2.1 0, 0.0 3,-2.0 0.880 94.9 63.8 -48.4 -44.0 89.5 98.4 7.3 68 68 A N G > 5S+ 0 0 120 1,-0.3 3,-0.9 3,-0.2 0, 0.0 0.819 97.9 53.0 -53.5 -39.8 92.7 98.1 5.2 69 69 A E G < 5S+ 0 0 134 -3,-0.8 -1,-0.3 1,-0.3 0, 0.0 0.501 114.5 44.7 -77.3 -3.3 94.6 96.0 7.8 70 70 A Y G X 5S- 0 0 33 -3,-2.0 3,-1.0 -4,-0.3 -1,-0.3 -0.260 128.5 -83.8-135.8 45.4 91.6 93.6 7.9 71 71 A G T < 5S- 0 0 48 -3,-0.9 -3,-0.2 1,-0.2 -2,-0.1 0.826 85.0 -61.1 55.2 37.9 90.7 93.0 4.3 72 72 A N T 3 -F 104 0A 55 -2,-0.3 3,-1.7 25,-0.3 25,-0.3 -0.288 39.6-125.2 -53.6 136.3 77.1 88.7 20.9 80 80 A A T 3 S+ 0 0 11 23,-3.2 3,-0.3 1,-0.3 -1,-0.1 0.428 106.6 67.7 -70.4 1.9 76.3 91.6 23.3 81 81 A A T 3 S+ 0 0 84 22,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.626 87.6 66.8 -91.5 -18.8 78.2 89.7 26.1 82 82 A D S < S+ 0 0 77 -3,-1.7 2,-0.3 2,-0.1 -1,-0.2 0.540 106.8 44.4 -71.7 -9.3 81.5 90.2 24.2 83 83 A I S S- 0 0 10 -3,-0.3 2,-0.3 -4,-0.2 -66,-0.1 -0.933 91.5 -94.2-141.0 154.1 81.2 94.0 24.8 84 84 A W - 0 0 28 -2,-0.3 -3,-0.1 -64,-0.0 -2,-0.1 -0.540 43.2-171.4 -65.5 130.0 80.4 96.6 27.4 85 85 A T - 0 0 48 -2,-0.3 -5,-0.0 -4,-0.1 -27,-0.0 -0.938 28.8 -95.2-123.8 153.8 76.7 97.7 27.2 86 86 A P - 0 0 11 0, 0.0 2,-0.8 0, 0.0 -28,-0.0 -0.247 24.5-127.6 -69.8 152.2 75.1 100.6 29.0 87 87 A D + 0 0 16 2,-0.0 58,-1.4 221,-0.0 2,-0.6 -0.337 46.5 161.7 -93.9 51.4 73.2 100.0 32.2 88 88 A I E +J 144 0B 19 -2,-0.8 2,-0.3 56,-0.2 56,-0.3 -0.647 13.8 177.1 -79.6 117.5 70.0 101.7 31.1 89 89 A T E -J 143 0B 17 54,-3.4 54,-2.6 -2,-0.6 2,-0.3 -0.894 35.4-112.7-123.5 148.1 67.1 100.6 33.3 90 90 A A E -J 142 0B 10 -2,-0.3 3,-0.4 52,-0.2 52,-0.2 -0.584 25.8-148.3 -69.0 135.8 63.4 101.4 33.7 91 91 A Y S S+ 0 0 19 50,-3.0 51,-0.1 -2,-0.3 -1,-0.1 0.568 87.2 37.2 -90.9 -8.9 62.9 103.2 37.0 92 92 A S S S+ 0 0 19 49,-0.4 32,-2.2 32,-0.0 -1,-0.2 0.026 76.9 138.4-135.9 31.1 59.4 101.9 37.8 93 93 A S B -G 123 0A 10 -3,-0.4 30,-0.3 30,-0.2 213,-0.1 -0.208 36.2-161.1 -66.0 165.6 59.2 98.3 36.7 94 94 A T S S+ 0 0 0 28,-2.2 29,-0.2 1,-0.3 -1,-0.1 0.456 72.9 34.8-127.0 -12.6 57.5 95.7 39.0 95 95 A R S S- 0 0 75 27,-0.9 27,-0.4 211,-0.1 -1,-0.3 -0.969 98.5 -81.6-138.5 154.7 59.1 92.5 37.5 96 96 A P - 0 0 48 0, 0.0 2,-0.1 0, 0.0 210,-0.1 -0.354 58.1-108.9 -51.1 130.5 62.4 91.5 36.0 97 97 A V - 0 0 64 209,-0.2 2,-0.5 24,-0.1 24,-0.2 -0.441 32.2-133.2 -67.6 136.8 62.3 92.7 32.3 98 98 A Q E -H 120 0A 75 22,-2.5 22,-2.5 -2,-0.1 2,-0.4 -0.851 9.8-135.8-101.4 131.6 62.0 89.7 29.9 99 99 A V E +H 119 0A 56 -2,-0.5 20,-0.2 20,-0.2 4,-0.1 -0.715 21.1 178.9 -91.3 129.4 64.3 89.5 26.8 100 100 A L + 0 0 18 18,-2.8 19,-0.2 -2,-0.4 814,-0.2 0.451 58.9 45.0-111.3 -6.6 62.5 88.5 23.6 101 101 A S S S- 0 0 12 17,-0.7 814,-0.0 812,-0.1 812,-0.0 -0.868 91.4 -78.6-137.1 164.8 65.4 88.5 21.0 102 102 A P - 0 0 34 0, 0.0 2,-1.1 0, 0.0 16,-0.2 -0.322 41.9-125.6 -58.8 148.1 69.0 87.4 20.5 103 103 A Q + 0 0 81 14,-0.1 -23,-3.2 -4,-0.1 2,-0.4 -0.731 56.9 140.3-101.9 81.4 71.5 89.7 22.2 104 104 A I E -F 79 0A 32 -2,-1.1 12,-0.5 -25,-0.3 2,-0.3 -0.993 29.3-167.4-127.3 129.6 73.7 90.6 19.2 105 105 A A E -FI 78 115A 0 -27,-3.2 -27,-3.0 -2,-0.4 2,-0.4 -0.785 17.3-128.0-112.3 157.5 75.2 94.0 18.5 106 106 A V E -FI 77 114A 1 8,-2.2 8,-2.0 -2,-0.3 2,-0.4 -0.905 18.8-161.4-105.1 135.0 76.9 95.5 15.4 107 107 A V E -FI 76 113A 0 -31,-2.8 -31,-2.0 -2,-0.4 2,-0.3 -0.970 5.0-157.4-116.6 129.2 80.3 97.2 15.7 108 108 A T E > -F 75 0A 22 4,-2.2 3,-2.3 -2,-0.4 -33,-0.2 -0.711 30.6-112.2-103.3 156.0 81.6 99.6 13.0 109 109 A H T 3 S+ 0 0 67 -35,-2.4 -44,-1.5 1,-0.3 -34,-0.1 0.740 117.1 64.4 -58.0 -25.7 85.3 100.6 12.3 110 110 A D T 3 S- 0 0 32 -36,-0.3 -1,-0.3 -46,-0.2 -46,-0.2 0.393 121.5-110.7 -79.4 6.0 84.6 104.1 13.5 111 111 A G S < S+ 0 0 0 -3,-2.3 -51,-2.4 -48,-0.5 -48,-0.2 0.394 70.6 139.6 89.0 -2.6 84.0 102.4 16.9 112 112 A S E -E 59 0A 28 -53,-0.3 -4,-2.2 -51,-0.1 2,-0.4 -0.435 34.8-154.6 -80.3 150.0 80.2 102.9 17.1 113 113 A V E -EI 58 107A 1 -55,-3.0 -55,-1.7 -6,-0.2 2,-0.4 -0.972 8.0-166.6-126.9 138.3 77.9 100.2 18.5 114 114 A M E +EI 57 106A 3 -8,-2.0 -8,-2.2 -2,-0.4 2,-0.4 -0.996 7.9 175.9-129.8 139.9 74.2 99.4 17.9 115 115 A F E -EI 56 105A 18 -59,-1.9 -59,-2.7 -2,-0.4 -10,-0.1 -0.998 7.6-175.7-145.4 119.0 72.0 97.1 19.9 116 116 A I - 0 0 6 -12,-0.5 2,-0.3 -2,-0.4 -61,-0.2 -0.666 11.0-178.7-125.4 78.0 68.2 96.5 19.5 117 117 A P - 0 0 6 0, 0.0 -63,-2.3 0, 0.0 2,-0.3 -0.554 21.7-137.1 -79.0 137.4 66.8 94.1 22.2 118 118 A A E -D 53 0A 4 -2,-0.3 -18,-2.8 -65,-0.2 -17,-0.7 -0.751 34.8-178.1 -86.3 142.3 63.1 93.2 22.1 119 119 A Q E -DH 52 99A 20 -67,-2.9 -67,-2.2 -2,-0.3 2,-0.5 -0.995 33.9-143.6-149.1 146.0 61.5 93.2 25.6 120 120 A R E -DH 51 98A 6 -22,-2.5 -22,-2.5 -2,-0.3 2,-0.4 -0.967 28.3-171.2-105.3 127.0 58.5 92.7 27.8 121 121 A L E -D 50 0A 2 -71,-2.7 -71,-2.7 -2,-0.5 2,-0.5 -0.970 17.6-160.6-120.0 129.7 58.1 95.1 30.7 122 122 A S E +D 49 0A 8 -2,-0.4 -28,-2.2 -27,-0.4 -27,-0.9 -0.940 31.2 167.6 -97.4 127.1 55.7 95.2 33.7 123 123 A F E -DG 48 93A 3 -75,-2.7 -75,-2.4 -2,-0.5 2,-0.5 -0.923 41.8 -80.4-141.7 165.9 55.5 98.7 35.2 124 124 A M E +D 47 0A 5 -32,-2.2 2,-0.3 -2,-0.3 15,-0.3 -0.518 59.8 147.6 -71.7 113.7 53.6 100.9 37.6 125 125 A a - 0 0 0 -79,-2.9 -83,-0.2 -2,-0.5 13,-0.1 -0.900 44.0-143.8-154.6 117.5 50.5 102.2 36.0 126 126 A D - 0 0 25 -2,-0.3 11,-0.1 11,-0.2 -80,-0.1 -0.741 19.6-169.2 -76.0 105.8 47.0 103.1 37.3 127 127 A P > + 0 0 0 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.608 34.4 138.2 -81.3 -12.5 44.9 101.9 34.4 128 128 A T T 3 + 0 0 97 1,-0.3 -2,-0.1 2,-0.1 -82,-0.0 0.008 69.4 24.7 -34.1 124.7 41.6 103.5 35.7 129 129 A G T > S+ 0 0 25 7,-0.1 3,-1.1 4,-0.0 6,-0.3 0.498 81.5 124.4 90.3 7.5 39.7 105.2 32.8 130 130 A V T < S+ 0 0 6 -3,-1.3 74,-2.3 1,-0.2 6,-0.2 0.774 72.0 54.9 -65.9 -27.4 41.3 103.0 30.2 131 131 A D T 3 S+ 0 0 114 72,-0.2 -1,-0.2 4,-0.1 72,-0.1 0.385 93.9 89.8 -90.8 1.2 37.8 102.0 29.1 132 132 A S S < S- 0 0 52 -3,-1.1 72,-0.2 1,-0.1 4,-0.1 -0.180 93.4-102.1 -84.8-176.7 36.6 105.6 28.5 133 133 A E S S+ 0 0 161 1,-0.2 -1,-0.1 2,-0.1 -3,-0.0 0.737 123.0 45.9 -77.6 -25.5 36.8 107.7 25.3 134 134 A E S S- 0 0 143 1,-0.2 -1,-0.2 -5,-0.1 -4,-0.1 0.554 94.3-164.5 -93.9 -14.2 39.8 109.6 26.7 135 135 A G - 0 0 13 -6,-0.3 2,-0.3 66,-0.1 68,-0.2 -0.202 26.7 -66.8 61.0-148.6 41.7 106.5 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