==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 20-NOV-01 1KFH . COMPND 2 MOLECULE: ALPHA-BUNGAROTOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BUNGARUS MULTICINCTUS; . AUTHOR L.MOISE,A.PISERCHIO,V.J.BASUS,E.HAWROT . 74 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4600.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 51 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 29.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 1.4 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-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 21.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 4.1 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 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 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 67 0, 0.0 15,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 138.4 -2.8 20.1 -2.1 2 2 A V E +A 15 0A 42 13,-0.3 62,-2.7 14,-0.2 63,-0.4 -0.802 360.0 178.0 -83.0 123.4 -5.2 17.2 -2.0 3 3 A a E -A 14 0A 0 11,-3.1 11,-3.1 -2,-0.5 2,-0.2 -0.971 32.0-105.0-132.0 147.2 -3.3 13.9 -1.4 4 4 A H E -A 13 0A 19 -2,-0.3 2,-0.4 9,-0.3 20,-0.3 -0.448 36.1-160.3 -70.2 131.2 -4.1 10.2 -0.9 5 5 A T E -A 12 0A 17 7,-2.5 7,-1.4 -2,-0.2 3,-0.5 -0.976 26.4-159.4-116.9 136.7 -3.8 8.9 2.7 6 6 A T S S+ 0 0 43 36,-2.6 37,-0.1 -2,-0.4 5,-0.1 0.396 83.9 88.1 -79.9 -5.7 -3.5 5.3 4.0 7 7 A A S S+ 0 0 90 35,-0.4 2,-0.3 5,-0.2 -1,-0.2 0.545 83.6 65.9 -69.2 -11.6 -4.8 6.7 7.4 8 8 A T S S- 0 0 52 -3,-0.5 4,-0.0 4,-0.1 -3,-0.0 -0.851 88.6-111.4-117.6 144.5 -8.3 6.0 6.2 9 9 A S S S+ 0 0 125 -2,-0.3 2,-0.1 1,-0.2 -3,-0.1 -0.968 112.8 29.9-114.7 108.6 -10.2 2.8 5.4 10 10 A P S S- 0 0 120 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.579 116.5-102.9 -79.1 157.1 -10.6 2.8 2.5 11 11 A I - 0 0 63 -2,-0.1 2,-0.3 -5,-0.1 -5,-0.2 -0.263 55.4-177.7 -42.7 120.3 -7.5 4.8 1.4 12 12 A S E -A 5 0A 44 -7,-1.4 -7,-2.5 30,-0.1 2,-0.3 -0.919 31.9-100.7-135.5 154.3 -8.8 8.3 0.5 13 13 A A E -A 4 0A 35 -2,-0.3 2,-0.4 -9,-0.3 -9,-0.3 -0.523 39.7-173.1 -75.8 126.0 -7.8 11.8 -0.8 14 14 A V E -A 3 0A 50 -11,-3.1 -11,-3.1 -2,-0.3 2,-1.2 -0.988 30.7-116.2-125.0 142.4 -7.4 14.4 2.0 15 15 A T E +A 2 0A 111 -2,-0.4 -13,-0.3 -13,-0.3 -11,-0.0 -0.607 43.9 165.1 -82.1 98.4 -6.8 18.2 1.7 16 16 A b > + 0 0 30 -15,-1.9 3,-1.0 -2,-1.2 -14,-0.2 0.420 18.8 129.8 -99.3 0.3 -3.3 18.5 3.3 17 17 A P G > + 0 0 61 0, 0.0 3,-2.5 0, 0.0 -1,-0.2 0.527 53.9 75.4 -42.5 -44.8 -1.7 22.0 2.5 18 18 A P G 3 S+ 0 0 134 0, 0.0 -2,-0.1 0, 0.0 3,-0.0 0.751 123.3 8.3 -41.1 -44.5 -0.5 23.5 5.9 19 19 A G G < S+ 0 0 53 -3,-1.0 27,-0.6 1,-0.1 2,-0.3 -0.162 123.2 85.3-126.7 38.6 2.6 21.2 6.1 20 20 A E < + 0 0 4 -3,-2.5 26,-0.4 25,-0.2 3,-0.1 -0.921 20.7 148.0-157.6 109.8 2.3 19.8 2.6 21 21 A N S S+ 0 0 107 24,-0.7 2,-0.4 -2,-0.3 25,-0.2 0.424 78.2 57.4-104.7 -14.6 3.3 20.8 -0.9 22 22 A L E -B 45 0B 35 23,-2.8 23,-2.1 25,-0.1 2,-0.3 -0.969 59.8-156.2-122.5 151.7 3.7 17.1 -1.9 23 23 A a E -BC 44 60B 0 37,-3.6 37,-2.7 -2,-0.4 2,-0.3 -0.839 25.3-178.5-111.4 145.5 1.7 13.9 -2.0 24 24 A Y E -BC 43 59B 21 19,-2.5 19,-2.6 -2,-0.3 2,-0.5 -0.991 33.5-149.0-147.6 148.2 3.5 10.5 -2.0 25 25 A R E -BC 42 58B 27 33,-1.2 33,-2.2 -2,-0.3 2,-0.8 -0.997 20.9-164.6-111.2 111.7 3.1 6.8 -2.1 26 26 A K E +BC 41 57B 26 15,-2.8 15,-2.6 -2,-0.5 2,-0.4 -0.947 22.5 169.3 -99.9 87.9 5.9 5.4 0.0 27 27 A M E +BC 40 56B 29 29,-2.6 29,-3.1 -2,-0.8 2,-0.3 -0.976 4.8 148.1-117.3 125.0 5.8 1.7 -1.1 28 28 A W E -B 39 0B 52 11,-2.2 11,-2.6 -2,-0.4 2,-0.2 -0.989 46.5 -95.8-149.9 154.2 8.4 -0.9 -0.3 29 29 A c E -B 38 0B 74 25,-0.3 9,-0.2 -2,-0.3 3,-0.1 -0.491 25.9-174.0 -70.5 133.5 8.7 -4.7 0.3 30 30 A D E S- 0 0 94 7,-2.4 7,-0.2 6,-0.3 -1,-0.1 0.837 78.4 -17.0 -86.3 -80.0 8.8 -5.8 3.9 31 31 A A E S- 0 0 55 5,-1.2 2,-2.4 6,-0.4 -1,-0.2 -0.040 128.2 -31.2 -92.3-151.5 9.5 -9.5 3.4 32 32 A F E > - 0 0 179 1,-0.2 4,-2.1 -3,-0.1 5,-0.3 -0.399 69.4-154.6 -70.7 65.7 8.9 -11.1 -0.1 33 33 A c H > S+B 37 0B 31 -2,-2.4 2,-1.7 4,-0.6 4,-0.7 0.474 81.8 68.0 8.0 -77.2 6.0 -8.7 -1.1 34 34 A S H 4 S- 0 0 121 2,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.656 134.1 -4.0 -69.6 82.1 4.3 -11.0 -3.7 35 35 A S H 4 S+ 0 0 75 -2,-1.7 2,-0.9 -4,-0.0 -2,-0.2 -0.833 139.0 55.2 125.4 -63.4 3.3 -13.4 -0.9 36 36 A R H < S- 0 0 166 -4,-2.1 -5,-1.2 -2,-0.3 -3,-0.5 -0.531 106.8 -86.6-108.6 53.2 5.0 -11.7 2.1 37 37 A G E < -B 33 0B 28 -2,-0.9 -7,-2.4 -4,-0.7 -4,-0.6 0.895 22.7-134.3 73.3 141.7 3.8 -8.1 2.2 38 38 A K E -B 29 0B 72 -9,-0.2 2,-1.0 -5,-0.2 -9,-0.2 -0.983 18.3-136.3-130.2 126.4 4.4 -4.6 0.9 39 39 A V E -B 28 0B 57 -11,-2.6 -11,-2.2 -2,-0.4 2,-0.6 -0.743 29.7-179.5 -85.2 94.7 4.4 -1.5 3.2 40 40 A V E -B 27 0B 35 -2,-1.0 2,-0.6 -13,-0.3 -13,-0.3 -0.968 2.7-175.6-102.9 110.3 2.4 0.9 1.0 41 41 A E E -B 26 0B 57 -15,-2.6 -15,-2.8 -2,-0.6 2,-0.6 -0.927 9.8-165.4-115.5 108.6 2.0 4.4 2.7 42 42 A L E +B 25 0B 0 -2,-0.6 -36,-2.6 -17,-0.2 -35,-0.4 -0.807 34.9 144.8 -91.0 114.1 -0.1 7.0 1.0 43 43 A G E -B 24 0B 3 -19,-2.6 -19,-2.5 -2,-0.6 2,-0.3 -0.950 45.3-113.9-144.6-176.2 0.7 10.3 2.7 44 44 A b E +B 23 0B 31 -2,-0.3 2,-0.3 -21,-0.2 -21,-0.2 -0.798 36.7 143.0-124.3 141.4 1.2 14.1 2.8 45 45 A A E -B 22 0B 17 -23,-2.1 -23,-2.8 -2,-0.3 -24,-0.7 -0.921 54.6-122.3-169.8 157.2 4.4 16.2 3.4 46 46 A A S S+ 0 0 47 -27,-0.6 2,-0.3 -26,-0.4 -26,-0.2 0.600 102.6 44.8 -73.6 -8.1 6.2 19.4 2.3 47 47 A T S S- 0 0 96 -28,-0.2 -25,-0.1 -25,-0.2 -28,-0.0 -0.840 93.3-103.7-138.6 150.9 9.1 17.0 1.5 48 48 A d - 0 0 45 -2,-0.3 4,-0.1 1,-0.1 3,-0.1 -0.802 57.2-156.7 -78.6 108.9 9.7 13.6 -0.2 49 49 A P > + 0 0 26 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.339 36.6 20.4 -85.5-163.6 10.3 11.4 2.9 50 50 A S T 3 S- 0 0 65 1,-0.2 5,-0.1 2,-0.1 0, 0.0 0.384 103.2 -48.1 -6.2 130.2 11.9 8.2 4.1 51 51 A K T 3> - 0 0 151 1,-0.1 4,-1.7 3,-0.1 -1,-0.2 0.469 47.9-171.9 -20.5 82.0 14.7 6.5 2.1 52 52 A K T <4 S+ 0 0 113 -3,-0.6 2,-1.6 2,-0.2 5,-0.2 0.671 70.3 89.3 -48.9 -23.3 13.7 6.4 -1.5 53 53 A P T 4 S+ 0 0 105 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.680 116.4 4.0 -78.3 84.8 16.8 4.2 -2.2 54 54 A Y T 4 S+ 0 0 147 -2,-1.6 2,-0.5 1,-0.2 -25,-0.3 -0.308 124.5 82.2 128.0 -29.0 14.8 1.0 -1.5 55 55 A E S < S- 0 0 7 -4,-1.7 2,-1.4 -27,-0.1 -27,-0.2 -0.860 76.9-136.7 -99.5 126.2 11.4 2.8 -0.9 56 56 A E E +C 27 0B 88 -29,-3.1 -29,-2.6 -2,-0.5 2,-0.9 -0.732 30.6 178.1 -84.0 86.2 9.4 3.7 -4.0 57 57 A V E -C 26 0B 17 -2,-1.4 2,-1.4 -31,-0.3 -31,-0.2 -0.821 9.2-169.0 -96.8 83.7 8.5 7.2 -2.8 58 58 A T E -C 25 0B 47 -33,-2.2 -33,-1.2 -2,-0.9 2,-0.4 -0.698 14.8-173.0 -80.2 86.6 6.5 8.5 -5.8 59 59 A d E +C 24 0B 40 -2,-1.4 2,-0.3 -35,-0.2 -35,-0.2 -0.809 11.2 164.2 -91.2 142.7 6.3 12.1 -4.8 60 60 A e E -C 23 0B 29 -37,-2.7 -37,-3.6 -2,-0.4 6,-0.1 -0.986 35.8-138.9-161.4 146.1 4.2 14.7 -6.6 61 61 A S + 0 0 77 -2,-0.3 2,-0.2 -39,-0.2 -39,-0.1 0.093 69.5 89.8-104.1 23.1 2.8 18.2 -6.0 62 62 A T S > S- 0 0 78 -39,-0.1 3,-1.5 -61,-0.1 4,-0.2 -0.753 85.8 -74.1-122.8 163.6 -0.7 18.0 -7.5 63 63 A D T 3 S- 0 0 115 1,-0.3 -60,-0.2 -2,-0.2 -1,-0.1 -0.361 112.7 -13.9 -59.7 117.7 -4.3 17.1 -6.4 64 64 A K T 3 S+ 0 0 104 -62,-2.7 -1,-0.3 -50,-0.1 -61,-0.1 0.432 91.4 140.3 64.6 20.0 -4.7 13.3 -6.0 65 65 A e < + 0 0 18 -3,-1.5 -2,-0.1 -63,-0.4 -1,-0.1 0.488 53.1 70.1 -67.5 -20.8 -1.4 12.7 -7.8 66 66 A N S S- 0 0 0 -4,-0.2 -1,-0.2 -42,-0.1 -42,-0.2 -0.691 72.5-172.3 -98.1 75.4 -0.2 9.8 -5.5 67 67 A P - 0 0 2 0, 0.0 5,-0.1 0, 0.0 -42,-0.1 -0.450 31.2-113.1 -74.1 135.6 -2.5 6.8 -6.3 68 68 A H > - 0 0 30 -2,-0.1 3,-2.5 -57,-0.1 4,-0.4 -0.607 46.2-102.2 -56.6 122.3 -2.5 3.7 -4.3 69 69 A P G > S+ 0 0 21 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.648 119.5 56.2 -15.9 -68.5 -1.1 1.0 -6.8 70 70 A K G 3 S+ 0 0 138 1,-0.3 4,-0.2 2,-0.1 -2,-0.0 0.730 101.9 59.6 -35.4 -43.4 -4.4 -0.6 -7.7 71 71 A Q G < S- 0 0 101 -3,-2.5 -1,-0.3 2,-0.1 3,-0.1 0.803 135.9 -20.8 -62.0 -47.3 -5.9 2.8 -8.7 72 72 A R S < S+ 0 0 175 -3,-1.6 2,-2.0 -4,-0.4 -2,-0.1 0.505 133.8 56.3-136.2 -55.4 -3.4 3.6 -11.5 73 73 A P 0 0 63 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 -0.492 360.0 360.0 -79.0 67.2 -0.0 1.6 -11.2 74 74 A G 0 0 103 -2,-2.0 -4,-0.1 -4,-0.2 -6,-0.0 -0.971 360.0 360.0 132.7 360.0 -2.0 -1.7 -11.2