==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 18-JUN-07 2QC1 . COMPND 2 MOLECULE: ALPHA-BUNGAROTOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BUNGARUS MULTICINCTUS; . AUTHOR C.D.DELLISANTI,Y.YAO,J.C.STROUD,Z.WANG,L.CHEN . 285 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15474.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 33.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 34 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 0 0 0 0 0 0 1 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 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 . 1 2 3 3 1 0 2 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 1 0 0 0 0 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 1 A I 0 0 61 0, 0.0 15,-2.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 134.8 6.9 -24.4 -3.6 2 2 A V E -A 15 0A 34 13,-0.2 62,-3.8 19,-0.1 63,-0.4 -0.847 360.0-174.8 -99.7 128.8 7.5 -21.8 -0.9 3 3 A b E -A 14 0A 0 11,-2.7 11,-2.8 -2,-0.5 2,-0.2 -0.897 26.3-118.2-124.8 149.1 6.9 -18.2 -1.8 4 4 A H E -A 13 0A 25 -2,-0.3 2,-0.3 9,-0.2 20,-0.3 -0.549 36.6-164.1 -79.9 152.9 7.3 -14.8 -0.0 5 5 A T E -A 12 0A 14 7,-2.5 7,-1.6 -2,-0.2 3,-0.4 -0.999 33.0-161.9-144.8 141.2 4.1 -12.9 0.5 6 6 A T S S+ 0 0 25 36,-2.0 256,-0.1 -2,-0.3 37,-0.1 0.204 78.3 94.6 -99.5 11.5 3.0 -9.3 1.3 7 7 A A S S+ 0 0 90 35,-0.3 2,-0.3 5,-0.1 -1,-0.2 0.580 87.2 53.0 -76.5 -10.8 -0.4 -10.6 2.3 8 8 A T S S- 0 0 55 -3,-0.4 4,-0.2 4,-0.1 -3,-0.0 -0.882 90.8-112.8-122.5 155.7 1.0 -10.7 5.8 9 9 A S S S+ 0 0 54 -2,-0.3 2,-0.2 2,-0.1 -3,-0.1 -0.960 106.5 35.2-135.6 115.7 2.8 -7.9 7.8 10 10 A P S S- 0 0 92 0, 0.0 260,-0.1 0, 0.0 261,-0.1 0.514 116.3-101.2 -66.4 168.8 5.6 -8.5 8.4 11 11 A I - 0 0 32 258,-0.4 2,-0.3 -2,-0.2 -5,-0.2 -0.286 51.6-176.3 -58.1 143.3 6.3 -10.2 5.1 12 12 A S E -A 5 0A 42 -7,-1.6 -7,-2.5 -4,-0.2 2,-0.4 -0.872 27.0-112.4-140.1 172.3 6.4 -13.9 5.4 13 13 A A E -A 4 0A 41 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.912 35.9-178.6-109.7 134.1 7.1 -17.1 3.5 14 14 A V E -A 3 0A 58 -11,-2.8 -11,-2.7 -2,-0.4 2,-0.6 -0.969 36.8-104.6-136.0 151.7 4.2 -19.6 2.8 15 15 A T E -A 2 0A 112 -2,-0.3 -13,-0.2 -13,-0.2 29,-0.1 -0.623 47.0-122.7 -74.3 117.8 3.7 -22.9 1.2 16 16 A a - 0 0 11 -15,-2.7 3,-0.1 -2,-0.6 -1,-0.1 -0.385 32.6-111.1 -62.3 138.3 2.1 -21.9 -2.1 17 17 A P > - 0 0 68 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.103 47.0 -66.9 -69.5 168.9 -1.5 -23.8 -2.4 18 18 A P T 3 S+ 0 0 135 0, 0.0 3,-0.1 0, 0.0 28,-0.1 -0.388 125.9 20.6 -60.0 133.2 -2.4 -26.5 -4.9 19 19 A G T 3 S+ 0 0 60 1,-0.2 2,-0.9 -3,-0.1 -3,-0.0 -0.131 99.9 99.2 103.3 -37.2 -2.3 -25.1 -8.4 20 20 A E < + 0 0 74 -3,-1.7 26,-0.3 1,-0.2 -1,-0.2 -0.785 37.4 152.4 -88.9 108.3 -0.1 -22.1 -7.5 21 21 A N + 0 0 93 -2,-0.9 2,-0.3 24,-0.9 25,-0.2 0.350 49.1 71.9-117.3 -1.2 3.3 -23.3 -8.5 22 22 A L E -B 45 0B 28 23,-2.4 23,-1.9 -21,-0.1 2,-0.4 -0.860 63.1-147.1-117.3 151.9 5.0 -19.9 -9.2 23 23 A b E -BC 44 60B 0 37,-2.2 37,-1.8 -2,-0.3 2,-0.3 -0.915 26.6-171.7-112.9 144.2 6.2 -17.2 -6.9 24 24 A Y E -BC 43 59B 32 19,-2.4 19,-1.8 -2,-0.4 2,-0.4 -0.928 20.0-155.8-137.1 161.7 5.9 -13.6 -8.3 25 25 A R E -BC 42 58B 57 33,-2.0 33,-2.1 -2,-0.3 2,-0.4 -0.978 10.9-170.6-140.6 123.1 6.9 -10.1 -7.5 26 26 A K E +BC 41 57B 28 15,-3.1 15,-2.8 -2,-0.4 2,-0.4 -0.930 7.5 177.8-114.8 138.0 5.1 -7.0 -8.8 27 27 A M E +BC 40 56B 18 29,-2.1 29,-1.6 -2,-0.4 2,-0.3 -0.999 6.2 158.0-142.3 142.5 6.4 -3.5 -8.4 28 28 A W E -B 39 0B 51 11,-1.2 11,-3.5 -2,-0.4 2,-0.3 -0.983 37.8-104.3-158.3 159.0 5.1 -0.1 -9.6 29 29 A c + 0 0 70 25,-0.4 2,-0.2 -2,-0.3 9,-0.1 -0.696 33.0 174.9 -90.3 135.6 5.3 3.5 -8.8 30 30 A D > - 0 0 43 -2,-0.3 3,-1.9 7,-0.3 7,-0.1 -0.522 59.9 -66.7-118.9-166.1 2.6 5.4 -7.0 31 31 A V T 3 S+ 0 0 39 137,-0.4 3,-0.3 1,-0.3 138,-0.1 0.719 132.6 55.0 -59.9 -20.0 2.7 9.1 -5.9 32 32 A F T >>>S+ 0 0 11 1,-0.2 4,-2.9 2,-0.1 3,-1.1 0.273 71.9 111.6 -97.5 14.3 5.4 8.3 -3.3 33 33 A c H <>5 + 0 0 27 -3,-1.9 4,-1.9 1,-0.3 -1,-0.2 0.885 69.2 59.7 -54.3 -47.0 7.9 6.7 -5.7 34 34 A S H 345S+ 0 0 128 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.775 122.5 23.0 -55.3 -28.9 10.6 9.4 -5.5 35 35 A S H <45S+ 0 0 86 -3,-1.1 -2,-0.2 2,-0.2 -1,-0.2 0.844 134.1 29.5-105.5 -47.0 10.9 8.9 -1.8 36 36 A R H <5S- 0 0 9 -4,-2.9 231,-2.1 1,-0.3 232,-0.3 0.522 98.2-132.3 -92.4 -7.2 9.7 5.3 -0.9 37 37 A G << - 0 0 22 -4,-1.9 -7,-0.3 -5,-0.6 -1,-0.3 -0.259 52.9 -22.2 80.5-176.5 10.6 3.6 -4.1 38 38 A K - 0 0 78 227,-0.1 228,-2.7 -9,-0.1 -9,-0.2 -0.260 69.9-103.3 -70.7 151.7 8.1 1.3 -5.9 39 39 A V E -BD 28 265B 8 -11,-3.5 -11,-1.2 226,-0.2 2,-0.5 -0.482 38.8-144.5 -68.7 142.0 5.2 -0.5 -4.3 40 40 A V E +BD 27 264B 4 224,-2.9 224,-0.6 -13,-0.2 2,-0.4 -0.962 20.5 178.4-119.1 126.2 6.1 -4.1 -3.7 41 41 A E E -B 26 0B 63 -15,-2.8 -15,-3.1 -2,-0.5 2,-0.4 -0.995 7.8-179.0-126.7 125.6 3.6 -7.0 -4.0 42 42 A L E +B 25 0B 2 -2,-0.4 -36,-2.0 -17,-0.2 -35,-0.3 -0.959 18.9 111.1-126.4 143.4 4.7 -10.6 -3.5 43 43 A G E -B 24 0B 4 -19,-1.8 -19,-2.4 -2,-0.4 2,-0.3 -0.969 54.5 -62.0-177.5-167.5 2.8 -13.9 -3.7 44 44 A C E +B 23 0B 22 -2,-0.3 2,-0.3 -21,-0.2 -21,-0.2 -0.689 42.6 175.0 -99.6 155.4 1.8 -17.2 -5.2 45 45 A A E -B 22 0B 12 -23,-1.9 -23,-2.4 -2,-0.3 -24,-0.9 -0.974 37.4-145.7-163.1 148.0 0.4 -17.8 -8.6 46 46 A A S S+ 0 0 53 1,-0.3 2,-0.3 -26,-0.3 -1,-0.1 0.866 97.9 12.1 -78.9 -39.7 -0.7 -20.6 -11.0 47 47 A T S S- 0 0 112 -3,-0.1 -1,-0.3 -25,-0.1 3,-0.1 -0.991 100.9 -82.1-139.2 145.7 0.4 -18.4 -14.0 48 48 A d - 0 0 67 -2,-0.3 3,-0.1 -3,-0.1 11,-0.1 -0.166 53.0-113.0 -49.7 126.7 2.4 -15.2 -14.2 49 49 A P - 0 0 37 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 -0.351 38.1 -95.2 -64.3 139.6 0.1 -12.1 -13.5 50 50 A S - 0 0 111 -3,-0.1 2,-0.3 1,-0.1 -3,-0.0 -0.264 40.5-135.9 -57.2 138.6 -0.5 -9.8 -16.5 51 51 A K - 0 0 140 -3,-0.1 5,-0.1 6,-0.1 -1,-0.1 -0.740 13.9-151.6 -98.5 149.6 1.9 -6.9 -16.5 52 52 A K > - 0 0 94 -2,-0.3 3,-1.3 1,-0.1 5,-0.1 -0.602 34.8-100.9-110.5 174.2 0.8 -3.4 -17.2 53 53 A P T 3 S+ 0 0 140 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.854 129.9 38.4 -61.0 -36.3 2.7 -0.4 -18.8 54 54 A Y T 3 S+ 0 0 132 -26,-0.1 -25,-0.4 2,-0.0 2,-0.3 0.204 106.7 82.4-103.4 17.2 3.1 0.7 -15.2 55 55 A E < - 0 0 23 -3,-1.3 2,-0.5 -27,-0.1 -27,-0.2 -0.899 57.2-158.9-120.8 149.8 3.7 -2.6 -13.6 56 56 A E E +C 27 0B 72 -29,-1.6 -29,-2.1 -2,-0.3 2,-0.4 -0.968 20.3 177.0-129.3 110.3 6.8 -4.7 -13.4 57 57 A V E +C 26 0B 16 -2,-0.5 2,-0.4 -31,-0.2 -31,-0.2 -0.968 7.9 179.8-122.9 130.4 6.1 -8.4 -12.8 58 58 A T E -C 25 0B 59 -33,-2.1 -33,-2.0 -2,-0.4 2,-0.3 -0.978 8.5-162.1-128.2 141.1 8.7 -11.2 -12.6 59 59 A d E +C 24 0B 43 -2,-0.4 2,-0.3 -35,-0.2 -35,-0.2 -0.809 11.9 168.3-120.6 160.1 7.9 -14.8 -12.0 60 60 A e E -C 23 0B 32 -37,-1.8 -37,-2.2 -2,-0.3 6,-0.1 -0.975 32.0-138.7-161.6 170.7 10.0 -17.8 -10.8 61 61 A S + 0 0 86 -2,-0.3 2,-0.3 -39,-0.2 -37,-0.0 0.214 67.0 96.0-126.0 15.8 9.9 -21.5 -9.6 62 62 A T S > S- 0 0 102 -39,-0.1 3,-1.5 1,-0.1 12,-0.1 -0.763 86.3 -81.7-106.7 154.8 12.5 -21.8 -6.8 63 63 A D T 3 S- 0 0 81 -2,-0.3 -60,-0.2 1,-0.3 11,-0.2 -0.289 109.6 -8.7 -56.7 128.8 11.8 -21.5 -3.1 64 64 A K T 3 S+ 0 0 73 -62,-3.8 10,-3.0 -50,-0.2 -1,-0.3 0.828 85.3 145.2 52.1 38.9 11.6 -17.9 -1.9 65 65 A e < + 0 0 28 -3,-1.5 -1,-0.1 -63,-0.4 -2,-0.1 0.337 60.1 64.5 -86.5 7.0 12.8 -16.6 -5.2 66 66 A N S S+ 0 0 1 -4,-0.1 -1,-0.2 -42,-0.1 -42,-0.1 -0.390 71.0 158.0-125.7 53.3 10.5 -13.5 -4.9 67 67 A P - 0 0 3 0, 0.0 -2,-0.0 0, 0.0 5,-0.0 -0.189 56.7 -75.6 -73.9 169.7 11.9 -11.6 -1.9 68 68 A H > - 0 0 1 1,-0.2 3,-2.8 4,-0.1 198,-0.0 -0.384 55.4-108.2 -56.9 142.6 11.4 -7.9 -1.1 69 69 A P T 3 S+ 0 0 50 0, 0.0 -1,-0.2 0, 0.0 197,-0.1 0.735 118.6 56.4 -51.3 -22.1 13.8 -6.2 -3.5 70 70 A K T 3 S+ 0 0 141 196,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.375 100.5 69.7 -92.3 5.1 16.1 -5.3 -0.6 71 71 A Q S < S- 0 0 95 -3,-2.8 0, 0.0 198,-0.0 0, 0.0 -0.935 86.4-102.5-127.0 151.2 16.6 -8.9 0.5 72 72 A R - 0 0 213 -2,-0.3 -4,-0.1 1,-0.1 -6,-0.1 -0.371 38.4-120.7 -66.9 140.4 18.4 -11.9 -0.8 73 73 A P 0 0 78 0, 0.0 -8,-0.2 0, 0.0 -9,-0.1 -0.358 360.0 360.0 -78.6 162.3 16.2 -14.6 -2.5 74 74 A G 0 0 84 -10,-3.0 -10,-0.1 -11,-0.2 -8,-0.0 -0.236 360.0 360.0 101.4 360.0 16.1 -18.2 -1.3 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 1 B S > 0 0 114 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -28.4 -12.8 33.9 27.1 77 2 B E H > + 0 0 155 2,-0.2 4,-1.1 1,-0.2 0, 0.0 0.928 360.0 38.6 -69.3 -43.9 -10.5 35.2 29.8 78 3 B H H > S+ 0 0 68 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.863 111.5 56.8 -74.2 -37.9 -9.5 31.7 30.8 79 4 B E H > S+ 0 0 80 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.921 106.4 50.8 -59.7 -44.3 -9.4 30.2 27.3 80 5 B T H X S+ 0 0 93 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.891 111.5 51.1 -57.6 -40.1 -6.8 32.9 26.3 81 6 B R H X S+ 0 0 109 -4,-1.1 4,-2.0 1,-0.2 -2,-0.2 0.931 109.5 45.7 -64.1 -52.3 -4.9 31.9 29.4 82 7 B L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.809 107.9 58.2 -64.6 -31.7 -4.7 28.2 28.8 83 8 B E H X S+ 0 0 56 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.926 107.7 46.5 -66.6 -41.7 -3.8 28.6 25.2 84 9 B A H X S+ 0 0 57 -4,-1.5 4,-0.6 -5,-0.2 -2,-0.2 0.937 113.8 50.0 -63.2 -44.0 -0.7 30.6 26.1 85 10 B K H >< S+ 0 0 119 -4,-2.0 3,-1.1 1,-0.2 4,-0.3 0.935 108.3 51.8 -59.0 -50.5 0.1 27.9 28.8 86 11 B L H 3< S+ 0 0 19 -4,-2.9 3,-0.4 1,-0.2 -1,-0.2 0.850 117.3 37.4 -56.8 -38.7 -0.3 25.0 26.4 87 12 B F H >< S+ 0 0 41 -4,-1.7 3,-0.8 -5,-0.2 -1,-0.2 0.295 82.0 100.8-102.0 11.5 2.1 26.4 23.8 88 13 B E T << S+ 0 0 137 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.1 0.776 107.8 11.2 -65.1 -24.3 4.8 28.1 25.9 89 14 B D T 3 S+ 0 0 155 -3,-0.4 2,-0.3 -4,-0.3 -1,-0.3 -0.408 97.8 134.8-151.6 62.8 7.0 25.1 25.3 90 15 B Y < - 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