==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 25-OCT-12 4HQP . COMPND 2 MOLECULE: ALPHA7 NICOTINIC RECEPTOR CHIMERA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS, LYMNAEA STAGNALIS; . AUTHOR S.X.LI,K.CHENG,R.GOMOTO,N.BREN,S.HUANG,S.SINE,L.CHEN . 1375 10 30 30 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58692.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 831 60.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 413 30.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 192 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.4 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 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 RESIDUES PER ALPHA HELIX . 1 0 0 3 2 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 . 18 18 5 5 5 5 7 3 0 5 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 8 0 0 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 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 3 A Q 0 0 72 0, 0.0 3,-0.3 0, 0.0 831,-0.0 0.000 360.0 360.0 360.0 -64.6 34.7 72.6 12.8 2 4 A R > + 0 0 37 1,-0.2 3,-0.6 2,-0.1 4,-0.5 -0.296 360.0 123.3-114.2 47.0 34.9 69.5 10.6 3 5 A K T 3> + 0 0 117 1,-0.2 4,-1.7 2,-0.2 3,-0.2 0.668 58.7 88.1 -75.0 -16.7 31.2 68.4 10.7 4 6 A L H 3> S+ 0 0 1 -3,-0.3 4,-3.8 1,-0.2 3,-0.5 0.894 80.5 54.6 -45.9 -52.5 31.7 68.7 6.9 5 7 A Y H <> S+ 0 0 14 -3,-0.6 4,-1.8 1,-0.3 -1,-0.2 0.924 106.7 49.7 -50.3 -52.8 32.9 65.1 6.7 6 8 A K H 4 S+ 0 0 120 -4,-0.5 -1,-0.3 -3,-0.2 -2,-0.2 0.819 118.3 41.1 -58.4 -31.7 29.8 63.7 8.4 7 9 A E H >X S+ 0 0 71 -4,-1.7 3,-1.9 -3,-0.5 4,-0.5 0.906 106.8 59.7 -82.8 -46.0 27.6 65.8 6.0 8 10 A L H 3< S+ 0 0 23 -4,-3.8 -2,-0.2 1,-0.3 -3,-0.2 0.851 114.5 37.6 -51.0 -40.1 29.6 65.2 2.8 9 11 A V T 3< S+ 0 0 66 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.1 -0.263 92.1 98.8-108.3 44.7 29.0 61.5 3.1 10 12 A K T <4 S+ 0 0 131 -3,-1.9 -2,-0.1 1,-0.1 -1,-0.1 0.911 101.9 8.6 -91.4 -60.9 25.5 61.7 4.4 11 13 A N S < S+ 0 0 128 -4,-0.5 2,-0.5 -3,-0.1 -2,-0.1 -0.227 105.3 120.6-113.5 39.5 23.3 61.1 1.3 12 14 A Y - 0 0 19 -5,-0.1 -3,-0.0 68,-0.0 -4,-0.0 -0.912 40.4-172.3-113.1 131.0 26.3 60.1 -0.9 13 15 A N > - 0 0 35 -2,-0.5 3,-2.3 3,-0.1 68,-0.1 -0.936 12.5-157.1-122.7 105.6 26.7 56.8 -2.7 14 16 A P T 3 S+ 0 0 42 0, 0.0 69,-0.4 0, 0.0 67,-0.1 0.524 88.4 70.9 -58.3 -8.2 30.1 56.4 -4.3 15 17 A D T 3 S+ 0 0 66 67,-0.1 2,-0.5 2,-0.1 263,-0.2 0.541 85.4 82.3 -86.7 -6.7 28.7 53.8 -6.8 16 18 A V S < S- 0 0 22 -3,-2.3 66,-0.1 261,-0.1 -3,-0.1 -0.876 81.7-130.4-104.5 122.2 26.8 56.6 -8.5 17 19 A I - 0 0 4 -2,-0.5 2,-1.7 1,-0.1 -2,-0.1 -0.564 29.8-121.3 -70.2 120.7 28.5 58.7 -11.1 18 20 A P + 0 0 10 0, 0.0 41,-0.4 0, 0.0 2,-0.3 -0.469 53.7 153.7 -67.3 83.0 27.7 62.4 -10.1 19 21 A T - 0 0 24 -2,-1.7 2,-0.6 39,-0.1 130,-0.0 -0.834 38.8-147.9-115.7 153.1 25.9 63.6 -13.3 20 22 A Q B > -A 23 0A 118 3,-1.4 3,-1.3 -2,-0.3 0, 0.0 -0.934 44.7 -97.3-121.4 103.0 23.4 66.3 -13.8 21 23 A R T 3 S+ 0 0 161 -2,-0.6 252,-0.0 1,-0.3 0, 0.0 0.261 113.6 26.3 -19.9 128.5 21.0 65.4 -16.7 22 24 A D T 3 S+ 0 0 160 126,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.303 116.5 76.2 89.0 -4.2 22.1 67.1 -19.9 23 25 A R B < -A 20 0A 188 -3,-1.3 -3,-1.4 125,-0.1 2,-0.2 -0.938 67.4-151.2-144.9 118.0 25.7 67.2 -18.6 24 26 A P - 0 0 33 0, 0.0 2,-0.4 0, 0.0 126,-0.2 -0.602 34.4 -98.8 -86.4 143.3 28.3 64.3 -18.3 25 27 A V E -b 150 0B 9 124,-1.4 126,-1.5 -2,-0.2 2,-0.6 -0.463 39.6-151.8 -63.8 115.8 31.0 64.1 -15.7 26 28 A T E -b 151 0B 46 -2,-0.4 2,-0.4 124,-0.2 31,-0.3 -0.823 10.5-165.6 -96.4 121.0 34.2 65.3 -17.4 27 29 A V E -b 152 0B 3 124,-2.9 126,-2.2 -2,-0.6 2,-0.7 -0.895 12.9-139.9-109.5 134.0 37.4 63.9 -16.0 28 30 A Y E -bC 153 55B 91 27,-3.0 27,-1.0 -2,-0.4 126,-0.3 -0.822 20.8-161.1 -97.3 114.0 40.8 65.4 -16.8 29 31 A F E +bC 154 54B 2 124,-2.3 126,-1.6 -2,-0.7 2,-0.2 -0.422 17.3 161.9 -88.6 164.0 43.5 62.8 -17.4 30 32 A S E - C 0 53B 4 23,-0.5 23,-3.1 124,-0.2 2,-0.5 -0.662 19.4-154.9 177.1 123.5 47.3 63.2 -17.3 31 33 A L E - C 0 52B 1 21,-0.2 127,-1.1 -2,-0.2 2,-0.6 -0.929 4.2-169.4-114.8 130.2 50.2 60.7 -17.0 32 34 A S E - C 0 51B 0 19,-2.4 19,-1.9 -2,-0.5 127,-0.1 -0.781 21.3-145.3-116.7 84.4 53.6 61.6 -15.6 33 35 A L E - C 0 50B 7 -2,-0.6 128,-0.3 17,-0.2 17,-0.3 -0.255 18.4-177.1 -52.0 123.7 55.9 58.6 -16.4 34 36 A L E - 0 0 14 15,-1.8 129,-1.5 1,-0.3 2,-0.3 0.906 56.4 -26.0 -90.8 -53.6 58.3 58.2 -13.5 35 37 A Q E - C 0 49B 1 14,-1.2 14,-2.7 127,-0.2 2,-1.0 -0.982 49.2-118.3-163.9 152.6 60.6 55.3 -14.6 36 38 A I E - C 0 48B 9 -2,-0.3 12,-0.2 12,-0.2 131,-0.2 -0.809 27.3-169.6 -98.5 96.3 60.7 52.2 -16.8 37 39 A M E - 0 0 4 -2,-1.0 2,-0.3 10,-0.6 -1,-0.2 0.930 57.5 -34.7 -49.2 -61.1 61.3 49.4 -14.3 38 40 A D E - C 0 47B 44 9,-1.3 9,-2.9 2,-0.0 2,-0.4 -0.970 46.4-135.0-159.6 171.3 62.0 46.6 -16.8 39 41 A V E - C 0 46B 18 -2,-0.3 2,-0.8 7,-0.2 7,-0.2 -0.999 8.7-153.0-138.8 132.6 61.3 45.1 -20.3 40 42 A D E >> - C 0 45B 51 5,-3.0 4,-1.5 -2,-0.4 5,-0.8 -0.834 11.4-179.9-110.4 95.6 60.7 41.5 -21.2 41 43 A E T 45S+ 0 0 100 -2,-0.8 -1,-0.2 1,-0.2 84,-0.1 0.750 81.6 61.6 -62.8 -24.1 61.7 40.9 -24.8 42 44 A K T 45S+ 0 0 103 1,-0.2 -1,-0.2 -3,-0.1 328,-0.2 0.950 121.0 17.4 -68.5 -52.1 60.6 37.2 -24.3 43 45 A N T 45S- 0 0 28 -3,-0.1 -2,-0.2 2,-0.1 -1,-0.2 0.343 106.3-116.9-104.4 5.3 56.9 37.8 -23.5 44 46 A Q T <5 + 0 0 11 -4,-1.5 79,-1.1 1,-0.2 2,-0.3 0.983 64.9 128.4 56.0 81.8 56.7 41.4 -24.9 45 47 A V E < -CD 40 122B 19 -5,-0.8 -5,-3.0 77,-0.3 2,-0.4 -0.972 44.3-144.0-163.0 148.7 55.8 43.5 -21.8 46 48 A V E -CD 39 121B 7 75,-2.0 75,-1.8 -2,-0.3 2,-0.6 -0.970 7.2-148.4-123.8 133.6 57.0 46.6 -19.9 47 49 A D E +CD 38 120B 26 -9,-2.9 -9,-1.3 -2,-0.4 -10,-0.6 -0.877 33.1 170.1 -98.1 119.9 57.1 47.2 -16.2 48 50 A V E -CD 36 119B 8 71,-2.1 71,-2.3 -2,-0.6 2,-0.3 -0.972 27.7-150.7-138.2 151.0 56.6 50.9 -15.6 49 51 A V E +CD 35 118B 2 -14,-2.7 -15,-1.8 -2,-0.3 -14,-1.2 -0.867 28.6 155.4-113.9 148.9 55.9 53.4 -12.7 50 52 A F E -CD 33 117B 1 67,-2.2 67,-2.9 -2,-0.3 2,-0.4 -0.980 41.7-112.8-169.9 157.1 54.0 56.6 -13.1 51 53 A W E -CD 32 116B 7 -19,-1.9 -19,-2.4 -2,-0.3 2,-0.6 -0.772 30.4-147.7 -93.7 140.6 51.9 59.3 -11.4 52 54 A L E -C 31 0B 13 63,-1.8 2,-0.5 -2,-0.4 -21,-0.2 -0.881 4.6-156.1-117.2 103.6 48.3 59.5 -12.5 53 55 A Q E +C 30 0B 4 -23,-3.1 -23,-0.5 -2,-0.6 2,-0.4 -0.650 22.3 166.7 -79.3 121.8 46.7 62.9 -12.6 54 56 A M E +CE 29 113B 9 59,-2.0 59,-3.5 -2,-0.5 2,-0.3 -0.992 2.5 165.1-138.2 128.1 42.9 62.6 -12.3 55 57 A S E +CE 28 112B 5 -27,-1.0 -27,-3.0 -2,-0.4 2,-0.2 -0.989 3.2 150.3-148.7 136.1 40.4 65.5 -11.6 56 58 A W E - E 0 111B 2 55,-2.0 55,-2.9 -2,-0.3 2,-0.5 -0.830 41.3-104.9-147.0-177.1 36.7 66.0 -11.9 57 59 A T E - E 0 110B 82 -31,-0.3 2,-0.8 53,-0.3 53,-0.2 -0.924 21.4-159.7-126.8 108.7 33.8 67.9 -10.3 58 60 A D - 0 0 0 51,-2.1 3,-0.1 -2,-0.5 -39,-0.1 -0.763 3.8-160.4 -87.7 110.3 31.4 66.1 -8.0 59 61 A H S S+ 0 0 41 -2,-0.8 -1,-0.2 -41,-0.4 51,-0.1 0.729 90.9 57.3 -63.0 -21.6 28.2 68.2 -7.8 60 62 A Y S S+ 0 0 108 1,-0.1 2,-0.6 49,-0.1 -1,-0.2 0.940 95.9 68.8 -73.1 -48.3 27.3 66.3 -4.6 61 63 A L S S+ 0 0 10 48,-0.2 2,-0.2 -3,-0.1 -3,-0.1 -0.633 71.3 104.8 -78.2 113.9 30.5 67.3 -2.8 62 64 A Q - 0 0 108 -2,-0.6 2,-0.3 47,-0.1 46,-0.2 -0.786 41.6-161.2 175.5 141.3 30.5 71.0 -2.0 63 65 A W - 0 0 19 44,-1.7 2,-0.7 -2,-0.2 -2,-0.0 -0.950 31.6 -99.2-137.7 156.1 30.1 73.2 1.0 64 66 A N > - 0 0 76 -2,-0.3 4,-1.3 1,-0.2 44,-0.1 -0.620 28.8-142.3 -74.6 113.6 29.3 76.8 1.9 65 67 A V T 4 S+ 0 0 76 -2,-0.7 5,-0.5 1,-0.2 6,-0.4 0.741 100.1 48.6 -47.3 -26.7 32.6 78.5 2.7 66 68 A S T 4 S+ 0 0 101 1,-0.2 -1,-0.2 3,-0.1 4,-0.1 0.967 100.8 56.7 -79.9 -60.0 30.8 80.4 5.4 67 69 A E T 4 S+ 0 0 143 1,-0.1 -2,-0.2 2,-0.1 -1,-0.2 0.702 110.1 57.1 -45.7 -21.5 28.8 77.6 7.2 68 70 A Y S >< S- 0 0 34 -4,-1.3 3,-1.0 3,-0.1 2,-0.7 -0.960 94.5-124.4-120.8 114.4 32.2 76.1 7.7 69 71 A P T 3 S- 0 0 71 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 -0.392 82.0 -31.3 -60.1 99.7 35.0 78.1 9.5 70 72 A G T 3 S+ 0 0 54 -2,-0.7 2,-0.9 -5,-0.5 -4,-0.1 0.879 84.7 155.5 55.6 47.2 38.0 78.4 7.2 71 73 A V < + 0 0 10 -3,-1.0 -1,-0.2 -6,-0.4 3,-0.1 -0.765 4.4 161.6-106.6 87.0 37.6 75.0 5.5 72 74 A K - 0 0 158 -2,-0.9 35,-0.6 1,-0.2 2,-0.3 0.993 64.1 -17.2 -66.7 -66.6 39.4 75.4 2.1 73 75 A Q E -F 106 0B 54 33,-0.1 2,-0.3 34,-0.1 -1,-0.2 -0.944 59.7-149.9-140.9 161.0 39.9 71.7 1.1 74 76 A V E -F 105 0B 2 31,-0.8 31,-1.0 -2,-0.3 2,-0.8 -0.972 17.8-124.7-136.6 150.2 39.9 68.3 2.7 75 77 A S E +F 104 0B 4 -2,-0.3 29,-0.2 752,-0.2 754,-0.1 -0.839 35.0 177.2 -97.3 109.2 41.6 65.0 2.2 76 78 A V E -F 103 0B 11 27,-2.3 27,-2.2 -2,-0.8 2,-0.2 -0.901 34.2-107.9-114.5 140.3 39.1 62.2 1.8 77 79 A P E >> -F 102 0B 18 0, 0.0 3,-3.2 0, 0.0 4,-0.7 -0.463 29.2-120.6 -67.4 131.5 39.8 58.5 1.0 78 80 A I T 34 S+ 0 0 30 23,-1.5 24,-0.1 1,-0.3 3,-0.1 0.644 110.6 65.5 -45.2 -19.4 38.9 57.5 -2.6 79 81 A S T 34 S+ 0 0 85 22,-0.3 -1,-0.3 1,-0.2 4,-0.1 0.705 94.4 57.6 -79.9 -20.1 36.5 54.9 -1.1 80 82 A S T <4 S+ 0 0 32 -3,-3.2 2,-0.3 2,-0.1 -1,-0.2 0.760 112.4 36.2 -80.9 -27.1 34.3 57.5 0.5 81 83 A L S < S- 0 0 6 -4,-0.7 -72,-0.0 -3,-0.1 2,-0.0 -0.778 95.4 -83.2-124.0 168.7 33.5 59.3 -2.8 82 84 A W - 0 0 12 -2,-0.3 -67,-0.1 -66,-0.1 -1,-0.1 -0.308 42.8-175.0 -68.5 152.6 33.0 58.4 -6.5 83 85 A V - 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