==== 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 28-MAY-99 1KP6 . COMPND 2 MOLECULE: PROTEIN (TOXIN); . SOURCE 2 ORGANISM_SCIENTIFIC: USTILAGO MAYDIS; . AUTHOR N.LI,M.ERMAN,W.PANGBORN,W.L.DUAX,C.-M.PARK,J.BRUENN,D.GHOSH . 79 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4884.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 52 65.8 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 . 18 22.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 2.5 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 . 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 . 6 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.5 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 1 0 1 0 0 1 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 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 N > 0 0 82 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 161.8 11.5 7.6 26.1 2 2 A N H > + 0 0 47 2,-0.2 4,-2.3 3,-0.2 5,-0.5 0.872 360.0 56.5 -67.2 -39.5 13.2 4.3 26.8 3 3 A A H > S+ 0 0 73 1,-0.2 4,-1.2 2,-0.2 5,-0.2 0.940 116.5 33.1 -59.8 -53.2 10.7 3.0 29.4 4 4 A F H >>S+ 0 0 101 3,-0.2 4,-2.6 2,-0.2 6,-2.0 0.811 120.3 51.3 -75.5 -30.0 7.6 3.3 27.2 5 5 A a H X5S+ 0 0 0 -4,-1.7 4,-1.9 4,-0.3 -2,-0.2 0.984 116.7 36.2 -71.8 -56.3 9.4 2.5 23.9 6 6 A A H <5S+ 0 0 38 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.813 125.9 44.9 -66.8 -27.8 11.2 -0.7 25.0 7 7 A G H <5S- 0 0 44 -4,-1.2 -2,-0.2 -5,-0.5 -3,-0.2 0.938 137.1 -0.5 -82.2 -47.9 8.2 -1.6 27.1 8 8 A F H <5S- 0 0 132 -4,-2.6 -3,-0.2 2,-0.2 -2,-0.2 0.462 91.8-107.6-123.4 -5.0 5.2 -0.9 24.8 9 9 A G S < - 0 0 18 5,-2.7 4,-1.9 -2,-0.3 50,-0.1 -0.485 35.6-113.1 -74.9 139.8 17.6 -7.1 1.0 21 21 A H T 4 S+ 0 0 88 48,-0.4 2,-1.6 1,-0.2 4,-0.2 -0.415 97.7 11.7 -66.0 148.9 20.3 -5.9 -1.5 22 22 A G T 4 S+ 0 0 93 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 -0.156 132.2 45.3 80.8 -50.2 19.0 -5.5 -5.0 23 23 A T T 4 S- 0 0 95 -2,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.705 88.7-140.9 -97.8 -27.0 15.3 -5.9 -4.3 24 24 A G < + 0 0 48 -4,-1.9 -3,-0.1 1,-0.2 2,-0.1 0.628 43.6 160.6 74.8 11.8 15.0 -3.6 -1.3 25 25 A N - 0 0 102 -4,-0.2 -5,-2.7 1,-0.1 -1,-0.2 -0.398 45.6-108.9 -67.6 143.9 12.6 -6.0 0.3 26 26 A E B -C 19 0A 96 -7,-0.2 2,-0.6 -3,-0.1 -7,-0.2 -0.469 26.7-150.8 -71.6 141.4 12.0 -5.8 4.0 27 27 A L > - 0 0 50 -9,-2.6 4,-2.3 1,-0.2 -9,-0.5 -0.833 15.3-179.2-120.5 93.9 13.6 -8.7 5.9 28 28 A R H > S+ 0 0 92 -2,-0.6 4,-3.0 1,-0.2 5,-0.2 0.871 81.0 50.0 -61.0 -39.9 11.7 -9.5 9.1 29 29 A Y H > S+ 0 0 185 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.883 112.5 46.6 -69.8 -36.2 13.8 -12.4 10.4 30 30 A A H 4 S+ 0 0 14 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.912 114.8 49.3 -68.6 -41.0 17.1 -10.4 9.9 31 31 A T H >< S+ 0 0 0 -4,-2.3 3,-1.4 -13,-0.2 -2,-0.2 0.942 110.4 48.8 -62.5 -48.2 15.4 -7.5 11.7 32 32 A A H >< S+ 0 0 28 -4,-3.0 3,-1.8 1,-0.3 6,-0.3 0.877 102.7 63.8 -59.8 -38.0 14.1 -9.6 14.6 33 33 A A T 3< S+ 0 0 47 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.624 110.0 37.9 -63.4 -15.3 17.6 -11.2 15.0 34 34 A G T < S+ 0 0 6 -3,-1.4 -1,-0.3 -4,-0.5 2,-0.2 0.124 111.5 69.4-123.1 23.7 19.0 -7.8 15.9 35 35 A d S X S+ 0 0 3 -3,-1.8 3,-1.8 7,-0.1 2,-0.3 -0.802 85.8 12.8-134.5 172.3 16.2 -6.4 18.0 36 36 A G G > S+ 0 0 24 1,-0.3 3,-2.2 3,-0.3 6,-0.4 -0.449 133.7 12.8 64.6-120.7 14.4 -6.9 21.3 37 37 A D G 3 S+ 0 0 173 1,-0.3 -1,-0.3 -2,-0.3 3,-0.2 0.677 129.7 59.2 -60.5 -17.8 16.5 -9.2 23.5 38 38 A H G < S+ 0 0 132 -3,-1.8 2,-0.3 -6,-0.3 -1,-0.3 0.548 110.1 38.9 -90.5 -7.7 19.4 -8.6 21.0 39 39 A L S X S- 0 0 25 -3,-2.2 3,-1.8 3,-0.1 -3,-0.3 -0.841 87.1-127.0-147.1 103.3 19.5 -4.9 21.4 40 40 A S T 3 S+ 0 0 101 -2,-0.3 3,-0.1 1,-0.3 -3,-0.1 -0.166 93.9 17.0 -50.8 137.5 19.0 -3.3 24.8 41 41 A K T 3 S+ 0 0 109 1,-0.3 13,-0.5 12,-0.1 -1,-0.3 0.528 100.2 119.4 75.4 11.0 16.3 -0.6 24.8 42 42 A S E < -D 53 0A 9 -3,-1.8 2,-0.4 -6,-0.4 -1,-0.3 -0.639 51.0-149.1-104.5 163.3 14.8 -1.7 21.6 43 43 A Y E -D 52 0A 70 9,-2.4 9,-3.0 -2,-0.2 2,-0.7 -0.996 8.0-147.4-132.5 122.0 11.3 -3.0 20.9 44 44 A Y E -D 51 0A 53 -2,-0.4 2,-1.0 7,-0.2 7,-0.2 -0.843 8.1-155.0 -92.0 118.6 10.6 -5.5 18.1 45 45 A D E >> -D 50 0A 40 5,-3.1 4,-2.4 -2,-0.7 5,-1.5 -0.804 7.7-171.2 -95.4 100.2 7.2 -4.9 16.6 46 46 A A T 45S+ 0 0 55 -2,-1.0 -1,-0.2 1,-0.2 5,-0.0 0.675 80.6 62.5 -63.9 -20.8 6.1 -8.3 15.2 47 47 A R T 45S+ 0 0 237 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.945 120.1 23.0 -71.6 -45.0 3.1 -6.8 13.3 48 48 A A T 45S- 0 0 39 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.650 101.6-127.3 -93.3 -16.7 5.3 -4.6 11.1 49 49 A G T <5 + 0 0 2 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.841 66.3 132.6 70.9 34.9 8.4 -6.7 11.4 50 50 A H E < - D 0 45A 5 -5,-1.5 -5,-3.1 -33,-0.1 2,-0.5 -0.833 56.4-128.5-121.3 156.3 10.3 -3.5 12.5 51 51 A d E -AD 16 44A 0 -35,-3.4 -35,-3.5 -2,-0.3 2,-0.3 -0.894 26.9-167.4-104.5 128.7 12.7 -2.5 15.2 52 52 A L E +AD 15 43A 13 -9,-3.0 -9,-2.4 -2,-0.5 2,-0.3 -0.880 10.5 167.7-119.1 147.0 11.9 0.6 17.3 53 53 A F E -AD 14 42A 0 -39,-1.9 -39,-2.1 -2,-0.3 -40,-1.9 -0.989 31.7-153.7-155.1 153.7 14.0 2.6 19.8 54 54 A S S S+ 0 0 4 -13,-0.5 -1,-0.1 -2,-0.3 -52,-0.1 0.861 88.3 60.6 -89.5 -56.1 14.0 6.0 21.7 55 55 A D S S- 0 0 62 -14,-0.2 2,-1.3 1,-0.1 -42,-0.1 -0.389 107.8 -97.3 -65.9 154.4 17.8 6.4 22.0 56 56 A D + 0 0 79 1,-0.2 3,-0.3 -43,-0.0 4,-0.1 -0.618 57.6 157.9 -81.0 95.8 19.5 6.5 18.6 57 57 A L > + 0 0 13 -2,-1.3 4,-2.8 1,-0.2 5,-0.3 0.147 33.0 117.1-103.4 19.6 20.7 3.0 18.2 58 58 A R H > S+ 0 0 90 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.850 72.7 54.4 -57.1 -36.2 20.9 3.3 14.4 59 59 A N H > S+ 0 0 135 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.928 111.9 44.2 -64.7 -42.9 24.7 2.6 14.4 60 60 A Q H > S+ 0 0 98 -3,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.919 116.4 45.2 -67.3 -44.0 24.2 -0.6 16.3 61 61 A F H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.872 111.0 54.9 -68.7 -34.0 21.3 -1.7 14.2 62 62 A Y H X S+ 0 0 131 -4,-2.9 4,-2.8 -5,-0.3 5,-0.2 0.937 106.3 50.9 -62.8 -46.0 23.3 -0.7 11.0 63 63 A S H X S+ 0 0 77 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.908 110.7 51.0 -58.1 -42.0 26.2 -2.9 12.1 64 64 A H H X S+ 0 0 35 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.924 111.3 43.8 -62.8 -53.0 23.7 -5.8 12.6 65 65 A c H ><>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 3,-0.7 0.932 115.2 51.5 -60.9 -41.1 22.0 -5.6 9.2 66 66 A S H ><5S+ 0 0 44 -4,-2.8 3,-2.1 1,-0.2 -2,-0.2 0.872 101.1 59.8 -62.6 -38.9 25.4 -5.1 7.5 67 67 A S H 3<5S+ 0 0 89 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.810 107.6 47.9 -60.1 -26.6 26.9 -8.2 9.3 68 68 A L T <<5S- 0 0 79 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.335 122.7-109.1 -94.2 5.7 24.1 -10.2 7.5 69 69 A N T < 5S+ 0 0 116 -3,-2.1 -48,-0.4 1,-0.3 2,-0.3 0.863 79.5 123.2 66.4 41.5 24.9 -8.5 4.2 70 70 A N < - 0 0 24 -5,-2.2 -1,-0.3 -50,-0.1 -50,-0.2 -0.799 58.5-122.1-125.3 164.3 21.7 -6.4 4.2 71 71 A N E -B 19 0A 73 -52,-2.8 -52,-2.4 -2,-0.3 2,-0.4 -0.454 25.0-130.6 -96.4 177.6 21.0 -2.7 4.0 72 72 A M E -B 18 0A 45 -54,-0.3 2,-0.4 -2,-0.2 -54,-0.2 -0.994 15.5-168.5-135.5 138.1 19.0 -0.8 6.6 73 73 A S E -B 17 0A 47 -56,-2.5 -56,-2.1 -2,-0.4 2,-0.3 -0.972 10.1-175.2-123.5 139.5 16.1 1.6 6.3 74 74 A b E -B 16 0A 44 -2,-0.4 2,-0.4 -58,-0.2 -58,-0.2 -0.969 15.8-151.6-134.4 154.9 14.9 3.8 9.1 75 75 A R E -B 15 0A 118 -60,-2.4 -60,-1.9 -2,-0.3 2,-0.5 -0.979 20.5-132.8-121.8 131.6 12.0 6.3 9.6 76 76 A S E -B 14 0A 67 -2,-0.4 2,-1.6 -62,-0.2 -62,-0.2 -0.765 14.6-139.2 -83.8 129.2 12.3 9.2 12.0 77 77 A L + 0 0 69 -64,-2.5 2,-0.3 -2,-0.5 -63,-0.1 -0.569 37.6 179.3 -90.9 73.9 9.2 9.3 14.3 78 78 A S 0 0 99 -2,-1.6 -65,-0.0 1,-0.1 -2,-0.0 -0.592 360.0 360.0 -85.3 134.7 8.9 13.1 14.2 79 79 A K 0 0 271 -2,-0.3 -1,-0.1 0, 0.0 0, 0.0 0.260 360.0 360.0 -98.6 360.0 6.3 15.2 15.8