==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RECEPTOR, TOXIN 23-APR-02 1LJZ . COMPND 2 MOLECULE: ALPHA-BUNGAROTOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BUNGARUS MULTICINCTUS; . AUTHOR A.O.SAMSON,T.SCHERF,M.EISENSTEIN,J.H.CHILL,J.ANGLISTER . 99 2 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6296.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 53 53.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 24.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 16 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 2.0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 I 0 0 62 0, 0.0 15,-1.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 159.0 -10.1 12.2 4.5 2 2 A V - 0 0 18 13,-0.2 63,-0.5 21,-0.0 2,-0.3 -0.544 360.0-153.3 -98.7 164.3 -6.7 10.7 5.0 3 3 A a - 0 0 0 60,-0.2 11,-2.2 -2,-0.2 2,-2.1 -0.890 16.5-142.2-149.4 118.8 -5.2 7.7 3.2 4 4 A H E +A 13 0A 23 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.503 36.6 176.8 -74.3 78.9 -2.6 5.1 4.2 5 5 A T E -A 12 0A 18 -2,-2.1 7,-1.8 7,-1.6 2,-1.6 -0.794 29.6-140.0 -94.8 122.8 -0.9 4.9 0.8 6 6 A T + 0 0 4 -2,-0.6 77,-0.5 36,-0.6 36,-0.2 -0.621 65.5 109.7 -78.5 87.9 2.1 2.6 0.5 7 7 A A + 0 0 11 -2,-1.6 89,-0.2 3,-0.5 -1,-0.2 0.657 62.7 36.8-130.7 -48.2 4.1 4.8 -1.8 8 8 A T S S- 0 0 46 2,-0.5 88,-0.5 -3,-0.5 73,-0.1 0.359 109.6 -52.8 -90.3-136.5 7.3 6.5 -0.3 9 9 A S S S+ 0 0 59 86,-0.1 2,-0.1 74,-0.1 87,-0.1 0.996 122.8 7.9 -68.5 -61.2 9.8 5.3 2.3 10 10 A P S S- 0 0 73 0, 0.0 -2,-0.5 0, 0.0 -3,-0.5 -0.367 118.1 -52.0-103.8-171.5 7.3 4.4 5.0 11 11 A I - 0 0 40 -5,-0.1 2,-0.8 -2,-0.1 -5,-0.2 -0.498 62.6-148.6 -65.0 115.7 3.5 4.2 4.8 12 12 A S E -A 5 0A 16 -7,-1.8 -7,-1.6 -2,-0.4 2,-0.5 -0.816 5.9-154.6 -97.3 110.8 2.7 7.7 3.4 13 13 A A E -A 4 0A 51 -2,-0.8 2,-0.4 -9,-0.2 -9,-0.2 -0.707 16.9-179.0 -85.0 123.8 -0.6 9.0 4.6 14 14 A V - 0 0 60 -11,-2.2 2,-0.6 -2,-0.5 -11,-0.2 -0.983 23.8-136.4-128.7 137.4 -2.1 11.6 2.3 15 15 A T - 0 0 87 -2,-0.4 -13,-0.2 -13,-0.2 6,-0.0 -0.808 16.4-148.3 -93.3 118.8 -5.4 13.5 2.5 16 16 A b + 0 0 21 -15,-1.3 29,-0.0 -2,-0.6 -2,-0.0 -0.764 16.9 180.0 -90.9 102.4 -7.3 13.6 -0.7 17 17 A P + 0 0 119 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.932 58.9 73.0 -66.6 -49.3 -9.3 17.0 -0.9 18 18 A P S S- 0 0 79 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.338 107.8 -80.3 -51.9-167.6 -11.0 16.4 -4.4 19 19 A G S S+ 0 0 71 1,-0.1 2,-0.8 2,-0.0 3,-0.1 0.856 112.7 79.5 -69.9 -36.0 -13.9 14.0 -5.0 20 20 A E + 0 0 105 1,-0.2 26,-0.3 24,-0.1 -1,-0.1 -0.649 46.6 133.2 -78.4 109.5 -11.6 11.0 -5.2 21 21 A N + 0 0 40 -2,-0.8 2,-0.3 24,-0.2 25,-0.2 0.228 23.5 134.9-138.4 8.3 -10.8 10.0 -1.6 22 22 A L E -B 45 0B 30 23,-2.6 23,-3.0 39,-0.1 2,-0.7 -0.482 44.9-146.1 -69.9 129.5 -11.4 6.3 -1.6 23 23 A a E -BC 44 60B 0 37,-3.0 37,-2.5 -2,-0.3 2,-0.3 -0.853 17.2-165.7 -99.0 111.4 -8.7 4.3 0.1 24 24 A Y E -BC 43 59B 44 19,-1.2 19,-1.5 -2,-0.7 2,-0.4 -0.768 14.8-168.2-101.4 145.6 -8.2 0.9 -1.5 25 25 A R E +BC 42 58B 32 33,-1.3 33,-1.1 -2,-0.3 2,-0.2 -0.774 21.2 171.3-130.5 83.2 -6.2 -2.0 -0.0 26 26 A K E -BC 41 57B 6 15,-1.5 15,-1.8 -2,-0.4 2,-0.3 -0.624 7.0-174.7 -96.3 154.3 -5.7 -4.5 -2.7 27 27 A M E + C 0 56B 13 29,-1.1 29,-1.3 -2,-0.2 13,-0.2 -0.997 14.9 151.8-151.2 146.8 -3.5 -7.6 -2.5 28 28 A W - 0 0 90 11,-0.5 11,-3.2 -2,-0.3 2,-0.6 -0.495 56.6 -45.1-145.3-149.3 -2.3 -10.4 -4.7 29 29 A c E +D 38 0C 30 9,-0.3 9,-0.2 -2,-0.2 57,-0.0 -0.862 45.1 163.3-104.8 123.6 0.9 -12.7 -4.7 30 30 A D E S-D 37 0C 38 7,-1.1 7,-1.6 -2,-0.6 -1,-0.1 -0.469 85.9 -48.8-128.8 57.8 4.3 -11.2 -4.2 31 31 A A B > S+e 37 0C 18 5,-0.3 4,-1.1 4,-0.1 7,-0.2 0.214 117.0 100.1 96.6 -11.9 6.3 -14.2 -3.3 32 32 A F T 4 S+ 0 0 110 5,-2.5 6,-0.2 2,-0.2 -3,-0.1 0.994 94.7 35.7 -67.7 -54.5 4.0 -15.6 -0.6 33 33 A c T 4 S+ 0 0 91 4,-0.2 -1,-0.2 1,-0.1 5,-0.1 0.804 136.2 32.4 -63.3 -24.7 2.5 -18.1 -3.0 34 34 A S T 4 S- 0 0 103 3,-0.2 -2,-0.2 0, 0.0 -1,-0.1 0.896 134.0 -62.2 -91.8 -80.0 6.1 -18.2 -4.3 35 35 A S S < S+ 0 0 96 -4,-1.1 -3,-0.2 2,-0.2 -4,-0.1 0.533 112.6 36.8-141.1 -52.5 8.6 -17.6 -1.5 36 36 A R S S- 0 0 152 1,-0.2 -5,-0.3 -6,-0.0 2,-0.3 0.939 100.5 -55.9 -79.3 -91.5 8.4 -14.2 0.4 37 37 A G E -De 30 31C 0 -7,-1.6 -5,-2.5 1,-0.1 -7,-1.1 -0.859 51.5 -74.1-148.3-176.8 4.9 -12.7 1.0 38 38 A K E -D 29 0C 82 49,-2.2 2,-0.4 -2,-0.3 -9,-0.3 -0.253 54.4 -95.9 -78.0 170.6 1.6 -11.5 -0.5 39 39 A V - 0 0 5 -11,-3.2 -11,-0.5 47,-0.3 2,-0.4 -0.760 37.6-175.0 -94.8 135.9 1.3 -8.2 -2.4 40 40 A V B +F 85 0D 3 45,-2.3 45,-1.4 -2,-0.4 2,-0.4 -0.957 10.5 163.4-136.3 117.3 0.1 -5.0 -0.6 41 41 A E E -B 26 0B 59 -15,-1.8 -15,-1.5 -2,-0.4 2,-0.4 -0.996 12.4-170.0-133.9 124.9 -0.6 -1.7 -2.3 42 42 A L E +B 25 0B 0 -2,-0.4 -36,-0.6 -36,-0.2 2,-0.2 -0.962 19.6 149.4-118.7 129.8 -2.6 1.1 -0.7 43 43 A G E -B 24 0B 3 -19,-1.5 -19,-1.2 -2,-0.4 2,-0.5 -0.779 44.4-105.3-143.9-171.4 -3.8 4.1 -2.5 44 44 A b E +B 23 0B 32 -2,-0.2 -21,-0.2 -21,-0.2 2,-0.2 -0.909 45.9 156.1-128.8 102.7 -6.4 6.9 -2.9 45 45 A A E -B 22 0B 28 -23,-3.0 -23,-2.6 -2,-0.5 -24,-0.2 -0.502 44.1-134.2-114.5-174.7 -8.9 6.5 -5.8 46 46 A A S S+ 0 0 54 -26,-0.3 2,-0.3 -25,-0.2 -25,-0.1 0.621 100.6 30.6-111.2 -28.3 -12.4 7.7 -6.7 47 47 A T S S- 0 0 124 -25,-0.1 -1,-0.2 -27,-0.1 -27,-0.0 -0.719 75.9-155.5-137.9 84.9 -13.7 4.4 -7.9 48 48 A d - 0 0 14 -2,-0.3 2,-0.1 -3,-0.2 11,-0.1 -0.459 20.4-136.3 -63.3 110.4 -12.1 1.4 -6.3 49 49 A P - 0 0 72 0, 0.0 2,-1.5 0, 0.0 -1,-0.1 -0.434 9.3-127.1 -71.2 141.0 -12.5 -1.5 -8.7 50 50 A S + 0 0 110 -2,-0.1 2,-1.5 1,-0.1 8,-0.0 -0.591 37.9 167.1 -90.0 76.5 -13.6 -4.9 -7.4 51 51 A K > + 0 0 61 -2,-1.5 4,-0.6 1,-0.2 3,-0.4 -0.475 18.7 141.4 -89.7 65.0 -10.9 -7.1 -8.7 52 52 A K T 4 + 0 0 103 -2,-1.5 -1,-0.2 1,-0.2 4,-0.1 0.053 29.9 108.7 -93.4 25.2 -11.7 -10.1 -6.6 53 53 A P T 4 S- 0 0 116 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.538 116.3 -32.5 -78.3 -1.7 -11.0 -12.9 -9.2 54 54 A Y T 4 S+ 0 0 165 -3,-0.4 2,-0.5 1,-0.4 -2,-0.1 0.136 125.5 83.8 177.9 -32.3 -7.9 -13.8 -7.3 55 55 A E S < S- 0 0 66 -4,-0.6 2,-1.1 -27,-0.1 -1,-0.4 -0.807 78.1-123.8 -96.7 129.7 -6.6 -10.6 -5.7 56 56 A E E +C 27 0B 84 -29,-1.3 -29,-1.1 -2,-0.5 2,-0.6 -0.579 37.4 179.6 -73.3 100.3 -8.1 -9.4 -2.4 57 57 A V E -C 26 0B 14 -2,-1.1 2,-0.3 -31,-0.3 -31,-0.3 -0.916 2.8-177.7-110.6 116.9 -9.3 -5.9 -3.2 58 58 A T E -C 25 0B 64 -33,-1.1 -33,-1.3 -2,-0.6 2,-0.4 -0.720 12.3-151.7-108.9 159.9 -11.0 -3.8 -0.5 59 59 A d E +C 24 0B 55 -2,-0.3 2,-0.4 -35,-0.2 -35,-0.2 -0.957 22.3 158.3-138.0 118.3 -12.5 -0.3 -0.7 60 60 A e E -C 23 0B 35 -37,-2.5 -37,-3.0 -2,-0.4 2,-0.5 -0.994 23.9-160.6-140.7 129.4 -12.8 2.1 2.2 61 61 A S + 0 0 76 -2,-0.4 2,-0.3 -39,-0.3 -39,-0.1 -0.484 54.8 102.7-109.3 63.0 -13.2 5.9 2.0 62 62 A T S > S- 0 0 77 -2,-0.5 3,-2.1 -39,-0.1 4,-0.2 -0.991 81.3 -74.5-143.6 149.8 -12.1 7.0 5.5 63 63 A D T 3 S- 0 0 91 -2,-0.3 -60,-0.2 1,-0.3 -48,-0.1 -0.096 114.9 -11.9 -43.2 127.3 -9.0 8.6 7.1 64 64 A K T 3 S+ 0 0 102 -50,-0.2 -1,-0.3 1,-0.1 -61,-0.2 0.839 94.0 137.8 44.6 40.5 -6.2 6.1 7.4 65 65 A e < + 0 0 26 -3,-2.1 -1,-0.1 -63,-0.5 -2,-0.1 0.517 50.8 75.1 -90.4 -6.7 -8.8 3.4 6.6 66 66 A N + 0 0 0 -4,-0.2 2,-0.3 -42,-0.1 -1,-0.2 -0.408 61.4 146.9-105.1 59.8 -6.4 1.5 4.3 67 67 A P - 0 0 45 0, 0.0 5,-0.1 0, 0.0 -62,-0.0 -0.661 40.3-129.5 -91.4 146.8 -4.0 -0.2 6.7 68 68 A H - 0 0 4 3,-0.9 -28,-0.0 -2,-0.3 -2,-0.0 -0.685 12.8-120.8-102.0 153.2 -2.5 -3.6 5.9 69 69 A P S S+ 0 0 80 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.814 109.7 51.0 -54.3 -40.6 -2.4 -6.9 8.0 70 70 A K S S+ 0 0 13 1,-0.2 2,-0.4 19,-0.1 17,-0.1 0.947 124.1 18.8 -67.8 -48.4 1.4 -7.1 8.0 71 71 A Q S S+ 0 0 41 18,-0.1 -3,-0.9 20,-0.0 -1,-0.2 -0.982 72.3 148.0-129.5 137.7 2.0 -3.6 9.2 72 72 A R - 0 0 197 -2,-0.4 2,-1.3 -5,-0.1 -61,-0.0 -0.982 60.3 -66.2-159.1 160.4 -0.3 -1.1 10.9 73 73 A P 0 0 98 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.294 360.0 360.0 -54.5 88.4 -0.3 1.8 13.4 74 74 A G 0 0 143 -2,-1.3 -3,-0.0 0, 0.0 0, 0.0 0.346 360.0 360.0 -89.9 360.0 0.7 -0.2 16.5 75 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 76 180 B E 0 0 176 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -27.0 19.5 13.8 -2.2 77 181 B E + 0 0 93 2,-0.1 2,-2.8 20,-0.0 21,-0.1 -0.027 360.0 145.0-134.1 30.2 16.0 12.4 -2.7 78 182 B R + 0 0 219 1,-0.0 2,-0.1 0, 0.0 0, 0.0 -0.396 52.6 80.3 -71.2 71.3 14.4 14.8 -5.2 79 183 B G S S- 0 0 54 -2,-2.8 2,-0.1 1,-0.2 -2,-0.1 -0.223 82.0 -64.1-140.1-129.9 12.4 12.1 -7.0 80 184 B W - 0 0 153 -2,-0.1 2,-0.4 -73,-0.0 18,-0.2 -0.392 41.1-106.0-119.5-162.2 9.2 10.2 -6.6 81 185 B K + 0 0 116 -2,-0.1 2,-0.3 16,-0.1 -73,-0.3 -0.986 33.5 167.2-139.5 126.7 7.8 7.6 -4.2 82 186 B H E -G 96 0E 102 14,-1.6 14,-1.8 -2,-0.4 2,-0.3 -0.998 10.5-167.3-140.1 140.0 7.3 3.9 -4.7 83 187 B W E -G 95 0E 19 -77,-0.5 2,-0.3 -2,-0.3 12,-0.2 -0.964 16.5-166.0-132.1 150.6 6.4 1.1 -2.2 84 188 B V E +G 94 0E 33 10,-1.7 10,-1.5 -2,-0.3 2,-0.6 -0.783 19.0 176.4-132.6 86.7 6.4 -2.7 -2.2 85 189 B Y B -F 40 0D 9 -45,-1.4 -45,-2.3 -2,-0.3 2,-0.5 -0.837 6.8-170.3 -99.1 122.7 4.5 -4.0 0.9 86 190 B Y > - 0 0 31 -2,-0.6 3,-0.9 -47,-0.2 2,-0.3 -0.936 24.5-123.7-111.7 127.4 4.0 -7.8 1.2 87 191 B T T 3 S+ 0 0 14 -2,-0.5 -49,-2.2 -49,-0.2 -57,-0.1 -0.521 86.7 61.9 -69.8 127.2 1.7 -9.3 3.8 88 192 B C T 3 S+ 0 0 61 -2,-0.3 -1,-0.2 -51,-0.2 3,-0.1 0.012 92.3 50.3 157.8 -46.4 3.6 -11.7 6.0 89 193 B C X - 0 0 17 -3,-0.9 3,-2.2 3,-0.1 -3,-0.2 -0.845 50.3-166.4-135.6 99.7 6.4 -9.9 7.8 90 194 B P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -18,-0.0 0.667 97.5 42.1 -54.2 -21.4 5.8 -6.8 9.8 91 195 B D T 3 S+ 0 0 154 1,-0.2 -20,-0.0 -3,-0.1 -21,-0.0 0.094 105.1 64.1-117.3 23.0 9.6 -6.3 9.9 92 196 B T < + 0 0 59 -3,-2.2 2,-0.2 -6,-0.2 -6,-0.2 -0.251 63.2 156.2-140.1 50.4 10.6 -7.2 6.3 93 197 B P - 0 0 41 0, 0.0 2,-0.7 0, 0.0 -8,-0.2 -0.564 35.3-138.2 -80.2 140.5 8.9 -4.5 4.1 94 198 B Y E -G 84 0E 58 -10,-1.5 -10,-1.7 -2,-0.2 2,-0.2 -0.879 24.2-170.0-103.1 116.2 10.4 -3.9 0.6 95 199 B L E -G 83 0E 75 -2,-0.7 2,-0.4 -12,-0.2 -12,-0.2 -0.505 15.3-141.9 -99.5 171.0 10.5 -0.2 -0.3 96 200 B D E +G 82 0E 58 -14,-1.8 -14,-1.6 -88,-0.5 2,-0.3 -0.890 37.4 138.0-140.0 105.3 11.2 1.6 -3.5 97 201 B I - 0 0 51 -2,-0.4 2,-0.4 -16,-0.1 -16,-0.1 -0.994 55.8 -98.7-146.9 146.6 13.2 4.8 -3.5 98 202 B T - 0 0 48 -2,-0.3 -19,-0.1 -18,-0.2 -2,-0.0 -0.520 31.2-165.8 -69.8 121.9 16.0 6.3 -5.6 99 203 B E 0 0 167 -2,-0.4 -1,-0.1 -22,-0.0 0, 0.0 0.994 360.0 360.0 -69.9 -76.2 19.4 5.8 -3.9 100 204 B E 0 0 217 -23,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.311 360.0 360.0 -72.1 360.0 21.8 8.1 -5.8