==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 08-JUN-01 1JC6 . COMPND 2 MOLECULE: VENOM BASIC PROTEASE INHIBITORS IX AND VIIIB; . SOURCE 2 ORGANISM_SCIENTIFIC: BUNGARUS FASCIATUS; . AUTHOR C.CHEN,C.H.HSU,N.Y.SU,S.H.CHIOU,S.H.WU . 65 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5260.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 27 41.5 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 . 8 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.5 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 . 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 . 1 1.5 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 . 3 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 3.1 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 1 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 K 0 0 218 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 105.5 6.2 -17.9 -14.1 2 2 A N - 0 0 133 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.477 360.0 -90.7 64.6 142.7 5.7 -16.2 -10.7 3 3 A R - 0 0 192 1,-0.1 2,-0.0 2,-0.0 0, 0.0 -0.290 44.2 -99.5 -79.6 170.5 4.5 -12.6 -10.5 4 4 A P - 0 0 89 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.098 19.3-125.8 -79.3-177.2 6.8 -9.5 -10.4 5 5 A T >> + 0 0 111 1,-0.1 3,-3.0 2,-0.1 4,-0.7 0.080 62.1 132.0-119.7 22.4 7.8 -7.5 -7.2 6 6 A F G >4 + 0 0 38 1,-0.3 3,-0.6 2,-0.2 39,-0.2 0.768 57.3 83.1 -45.3 -26.7 6.7 -4.1 -8.5 7 7 A a G 34 S+ 0 0 11 1,-0.3 -1,-0.3 -3,-0.2 20,-0.2 0.847 94.6 44.7 -49.7 -32.4 5.0 -3.8 -5.0 8 8 A N G <4 S+ 0 0 90 -3,-3.0 -1,-0.3 18,-0.1 -2,-0.2 0.792 94.3 107.1 -81.5 -29.2 8.5 -2.7 -3.8 9 9 A L S << S- 0 0 88 -4,-0.7 34,-0.0 -3,-0.6 -3,-0.0 0.015 75.3-120.9 -45.3 155.3 8.9 -0.3 -6.9 10 10 A L - 0 0 146 2,-0.0 -1,-0.1 34,-0.0 34,-0.1 -0.919 28.2-156.5-107.9 112.2 8.6 3.4 -6.2 11 11 A P - 0 0 16 0, 0.0 2,-0.4 0, 0.0 35,-0.1 -0.100 8.3-131.6 -76.9 179.9 5.7 5.1 -8.2 12 12 A E - 0 0 121 1,-0.1 30,-0.6 33,-0.1 31,-0.2 -0.997 9.4-150.9-139.3 133.6 5.5 8.8 -9.1 13 13 A T - 0 0 31 -2,-0.4 28,-2.2 3,-0.2 27,-0.9 0.849 53.0-110.5 -70.1 -32.5 2.6 11.3 -8.7 14 14 A G - 0 0 22 26,-0.3 3,-0.1 2,-0.2 -2,-0.0 0.804 65.3 -55.8 103.8 45.7 3.9 13.2 -11.8 15 15 A R S S+ 0 0 259 1,-0.2 2,-0.2 25,-0.1 -1,-0.0 0.790 124.1 87.1 59.5 26.2 5.2 16.5 -10.2 16 16 A b - 0 0 45 20,-0.1 -1,-0.2 2,-0.0 2,-0.2 -0.649 56.0-164.0-136.1-166.7 1.7 16.9 -8.7 17 17 A N + 0 0 111 -2,-0.2 2,-0.3 -3,-0.1 21,-0.1 -0.663 16.0 154.5 174.2 127.2 -0.4 15.9 -5.6 18 18 A A - 0 0 41 -2,-0.2 19,-1.3 19,-0.1 2,-0.3 -0.966 54.0 -83.4-161.9 144.6 -4.1 15.8 -4.8 19 19 A L + 0 0 160 -2,-0.3 17,-0.1 17,-0.2 -2,-0.0 -0.322 67.8 142.0 -54.0 112.7 -6.4 13.8 -2.4 20 20 A I - 0 0 60 -2,-0.3 2,-2.8 15,-0.2 17,-0.2 -0.955 61.8-109.9-155.6 134.8 -7.2 10.6 -4.3 21 21 A P + 0 0 67 0, 0.0 2,-0.5 0, 0.0 15,-0.1 -0.366 54.0 161.1 -69.1 73.5 -7.5 7.0 -3.0 22 22 A A E +A 35 0A 6 -2,-2.8 13,-3.2 13,-1.2 2,-0.3 -0.816 13.5 176.2 -96.1 128.3 -4.2 5.7 -4.6 23 23 A F E +AB 34 47A 28 24,-0.9 24,-2.2 -2,-0.5 2,-0.3 -0.995 11.9 158.4-136.6 146.2 -3.1 2.6 -2.9 24 24 A Y E -A 33 0A 24 9,-2.8 9,-3.4 -2,-0.3 2,-0.4 -0.934 40.7 -88.5-155.6 172.3 -0.3 -0.0 -3.3 25 25 A Y E -A 32 0A 35 -2,-0.3 2,-0.5 7,-0.3 7,-0.3 -0.736 27.3-157.3 -95.0 138.5 1.6 -2.6 -1.2 26 26 A N E >> -A 31 0A 48 5,-2.8 4,-1.7 -2,-0.4 5,-1.2 -0.948 7.1-157.8-113.2 123.6 4.8 -1.9 0.8 27 27 A S T 45S+ 0 0 44 -2,-0.5 -1,-0.1 2,-0.2 -19,-0.1 0.923 96.9 52.0 -66.4 -43.6 7.1 -4.9 1.6 28 28 A H T 45S+ 0 0 178 1,-0.2 -1,-0.2 2,-0.1 -20,-0.0 0.886 116.3 40.8 -60.6 -37.8 8.6 -3.1 4.6 29 29 A L T 45S- 0 0 87 2,-0.2 -1,-0.2 1,-0.0 -2,-0.2 0.736 97.5-144.0 -81.8 -23.6 5.1 -2.5 5.9 30 30 A H T <5S+ 0 0 144 -4,-1.7 2,-0.2 1,-0.3 -3,-0.2 0.812 75.1 64.1 64.0 26.9 4.0 -6.0 4.9 31 31 A K E S- 0 0 59 -26,-0.2 4,-1.1 1,-0.0 -1,-0.3 -0.934 77.9 -81.0-164.1-175.4 -8.1 1.0 -2.5 50 50 A I H > S+ 0 0 85 -2,-0.3 4,-1.5 2,-0.2 5,-0.2 0.744 116.8 66.1 -73.0 -23.7 -6.8 -1.8 -0.2 51 51 A D H >> S+ 0 0 81 2,-0.2 4,-1.9 1,-0.2 3,-1.4 0.998 109.7 31.3 -61.6 -72.1 -9.1 -4.4 -1.9 52 52 A E H 3> S+ 0 0 69 1,-0.3 4,-1.2 2,-0.2 5,-0.2 0.810 120.7 57.2 -55.9 -28.6 -7.5 -4.4 -5.4 53 53 A c H 3X>S+ 0 0 0 -4,-1.1 4,-1.2 1,-0.2 5,-0.9 0.776 107.4 46.7 -74.0 -27.4 -4.2 -3.7 -3.5 54 54 A Q H <<5S+ 0 0 73 -4,-1.5 -2,-0.2 -3,-1.4 -1,-0.2 0.824 113.7 45.9 -84.5 -34.2 -4.6 -6.9 -1.4 55 55 A R H <5S+ 0 0 106 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.1 0.731 119.2 41.5 -81.0 -23.3 -5.5 -9.2 -4.3 56 56 A T H <5S+ 0 0 58 -4,-1.2 -2,-0.2 -5,-0.3 -3,-0.2 0.901 134.9 13.4 -91.1 -48.8 -2.6 -8.0 -6.6 57 57 A a T <5S+ 0 0 25 -4,-1.2 -3,-0.2 -5,-0.2 -2,-0.1 0.805 129.2 46.6 -96.7 -36.4 0.3 -7.6 -4.1 58 58 A A S