==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 08-MAY-96 1WKT . COMPND 2 MOLECULE: YEAST KILLER TOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: WILLIOPSIS SATURNUS VAR. MRAKII; . AUTHOR W.ANTUCH,P.GUNTERT,K.WUTHRICH . 87 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5071.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 53 60.9 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 . 27 31.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 1.1 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-3), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 . 12 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 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 . 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 1 0 3 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 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 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 G 0 0 95 0, 0.0 41,-0.1 0, 0.0 69,-0.0 0.000 360.0 360.0 360.0-176.7 12.8 0.6 -13.6 2 2 A D - 0 0 145 39,-0.1 39,-0.6 38,-0.1 40,-0.2 0.662 360.0 -94.9 69.1 126.6 13.6 -1.9 -10.7 3 3 A G + 0 0 40 38,-0.3 2,-0.3 37,-0.2 36,-0.0 -0.321 54.0 149.2 -54.6 153.3 10.9 -3.7 -8.7 4 4 A Y - 0 0 45 2,-0.1 36,-2.7 -2,-0.0 38,-0.4 -0.882 41.3-148.3-176.7 160.7 9.6 -2.3 -5.4 5 5 A L E +A 39 0A 9 -2,-0.3 34,-0.2 34,-0.2 2,-0.1 -0.496 51.5 138.0-132.9 60.2 6.5 -2.2 -3.3 6 6 A I E -A 38 0A 5 32,-0.5 32,-0.7 14,-0.1 2,-0.3 -0.377 40.3-140.6 -94.2 175.2 6.8 1.3 -1.7 7 7 A M E -AB 37 19A 16 12,-1.0 12,-1.9 30,-0.2 2,-0.3 -0.914 16.7-155.8-138.4 166.9 4.3 4.0 -1.1 8 8 A a E -A 36 0A 0 28,-3.2 28,-2.0 -2,-0.3 27,-1.2 -0.851 31.4-126.8-147.4 162.0 4.6 7.8 -1.4 9 9 A K S S+ 0 0 78 -2,-0.3 2,-0.2 25,-0.3 9,-0.1 0.706 101.9 16.5 -85.8 -29.5 3.3 11.2 -0.3 10 10 A N S S- 0 0 38 26,-0.1 -2,-0.1 2,-0.1 25,-0.1 -0.568 94.5 -93.1-126.1-166.0 2.7 12.2 -3.9 11 11 A b S S+ 0 0 62 -2,-0.2 63,-0.0 1,-0.1 61,-0.0 0.417 104.1 65.8 -93.0 3.3 2.5 10.3 -7.2 12 12 A D >> - 0 0 60 1,-0.1 4,-1.3 60,-0.0 3,-0.8 -0.921 56.6-163.0-139.9 105.8 6.2 10.7 -8.0 13 13 A P T 34 S+ 0 0 57 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.701 94.6 66.2 -59.5 -20.9 9.2 9.3 -6.2 14 14 A N T 34 S+ 0 0 144 1,-0.2 3,-0.0 3,-0.1 -2,-0.0 0.941 119.1 19.4 -64.2 -44.1 11.3 11.9 -8.1 15 15 A T T <4 S+ 0 0 107 -3,-0.8 2,-0.4 1,-0.1 -1,-0.2 0.327 121.3 65.2-114.0 13.5 9.6 14.7 -6.2 16 16 A G S < S- 0 0 13 -4,-1.3 2,-1.3 -6,-0.1 -1,-0.1 -0.996 80.1-120.9-138.6 133.1 8.2 12.9 -3.2 17 17 A S - 0 0 86 -2,-0.4 2,-0.2 -9,-0.1 -8,-0.1 -0.608 36.6-170.2 -71.1 94.2 9.9 11.1 -0.3 18 18 A a - 0 0 14 -2,-1.3 2,-0.5 -5,-0.2 -10,-0.3 -0.604 26.0-113.8 -77.5 148.2 8.5 7.6 -0.7 19 19 A D B -B 7 0A 50 -12,-1.9 -12,-1.0 -2,-0.2 2,-0.3 -0.792 23.9-166.9 -90.3 129.7 9.2 5.2 2.2 20 20 A W + 0 0 157 -2,-0.5 2,-0.2 -14,-0.2 -14,-0.1 -0.671 40.1 131.3-112.0 59.8 11.5 2.3 1.2 21 21 A K S S- 0 0 159 -2,-0.3 2,-0.3 1,-0.0 7,-0.0 -0.651 72.7 -87.9 -92.6 165.7 11.0 0.1 4.2 22 22 A Q + 0 0 148 -2,-0.2 -16,-0.0 1,-0.1 -2,-0.0 -0.676 49.4 170.0 -73.2 143.8 10.1 -3.6 3.7 23 23 A N > + 0 0 4 -2,-0.3 63,-1.5 -18,-0.0 3,-1.0 0.375 37.5 112.9-130.3 -14.1 6.4 -3.9 3.3 24 24 A W T 3 S- 0 0 111 1,-0.3 3,-0.1 61,-0.1 26,-0.0 -0.598 99.2 -15.2 -79.0 112.8 6.1 -7.5 2.1 25 25 A N T 3 S+ 0 0 108 -2,-0.7 2,-0.3 1,-0.2 -1,-0.3 0.888 109.2 117.2 64.1 44.8 4.4 -9.6 4.9 26 26 A T S < S- 0 0 53 -3,-1.0 2,-1.5 2,-0.1 60,-0.3 -0.994 71.2-122.4-143.3 141.4 4.9 -7.1 7.7 27 27 A c + 0 0 62 -2,-0.3 2,-0.5 58,-0.1 58,-0.2 -0.670 44.3 180.0 -79.3 77.8 2.4 -5.1 9.8 28 28 A V E -D 84 0B 26 56,-2.0 56,-2.2 -2,-1.5 2,-0.3 -0.787 19.1-144.5 -92.6 127.6 3.7 -1.6 8.8 29 29 A G E +D 83 0B 47 -2,-0.5 2,-0.3 54,-0.3 54,-0.2 -0.742 25.6 175.7 -87.5 139.7 2.0 1.5 10.3 30 30 A I + 0 0 30 52,-1.4 2,-0.3 -2,-0.3 27,-0.0 -0.821 13.6 121.8-134.5 165.8 1.7 4.6 8.0 31 31 A G + 0 0 24 -2,-0.3 51,-0.1 1,-0.2 4,-0.1 -0.899 27.1 94.6 166.0-170.7 0.2 8.1 8.0 32 32 A A S S- 0 0 76 -2,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.998 113.2 -24.5 67.8 80.5 1.1 11.8 7.6 33 33 A N S S+ 0 0 129 1,-0.2 2,-0.7 2,-0.0 -1,-0.2 0.441 101.9 131.6 71.2 4.2 0.7 13.0 4.0 34 34 A V + 0 0 26 1,-0.1 -25,-0.3 -27,-0.0 -1,-0.2 -0.794 12.1 131.3 -89.0 111.4 1.1 9.4 2.8 35 35 A H + 0 0 65 -27,-1.2 40,-2.0 -2,-0.7 2,-0.4 0.134 44.7 82.2-146.4 25.7 -1.7 8.6 0.3 36 36 A W E -AC 8 74A 61 -28,-2.0 -28,-3.2 38,-0.3 2,-0.8 -0.903 51.8-159.5-137.5 114.5 -0.1 7.0 -2.8 37 37 A M E -AC 7 73A 8 36,-2.5 36,-2.0 -2,-0.4 2,-0.6 -0.807 18.2-175.0 -84.5 113.9 0.9 3.3 -3.3 38 38 A V E -AC 6 72A 11 -2,-0.8 -32,-0.5 -32,-0.7 2,-0.3 -0.911 10.4-165.3-119.0 96.9 3.3 3.7 -6.2 39 39 A T E -AC 5 71A 2 32,-1.8 31,-1.5 -2,-0.6 32,-1.1 -0.651 6.0-136.3-104.2 141.2 4.3 0.1 -7.1 40 40 A G - 0 0 0 -36,-2.7 30,-0.4 -2,-0.3 3,-0.3 -0.104 32.8 -91.4 -91.6-173.7 7.2 -1.0 -9.2 41 41 A G > + 0 0 20 -39,-0.6 3,-1.9 1,-0.2 -38,-0.3 -0.150 66.6 145.3 -95.4 35.6 7.7 -3.6 -12.0 42 42 A S T 3 S+ 0 0 52 -38,-0.4 -39,-0.2 1,-0.3 -1,-0.2 0.845 91.7 1.2 -31.8 -61.2 8.7 -6.2 -9.5 43 43 A T T > S- 0 0 78 3,-0.5 3,-2.9 -3,-0.3 -1,-0.3 -0.419 100.7-137.5-132.4 45.4 7.2 -9.0 -11.5 44 44 A D T < S+ 0 0 126 -3,-1.9 -3,-0.1 1,-0.3 3,-0.1 0.256 90.6 28.2 -19.6 104.6 6.1 -6.6 -14.3 45 45 A G T 3 S+ 0 0 61 1,-0.2 2,-0.7 0, 0.0 24,-0.3 -0.574 99.6 95.9 129.6 -56.4 2.5 -7.7 -15.1 46 46 A K S < S- 0 0 146 -3,-2.9 -3,-0.5 22,-0.1 -1,-0.2 -0.534 75.6-133.4 -74.2 107.1 1.8 -9.1 -11.6 47 47 A Q - 0 0 113 -2,-0.7 2,-0.4 -3,-0.1 22,-0.1 -0.010 9.6-124.8 -46.9 157.6 -0.0 -6.4 -9.7 48 48 A G E +E 67 0B 4 19,-2.4 19,-2.3 20,-0.1 2,-0.3 -0.948 33.8 178.8-107.7 134.4 0.9 -5.5 -6.1 49 49 A d E -E 66 0B 14 -2,-0.4 38,-3.0 17,-0.3 2,-0.3 -0.949 6.7-171.2-133.4 155.4 -1.9 -5.7 -3.6 50 50 A A E -EF 65 86B 0 15,-2.4 15,-3.0 -2,-0.3 2,-0.5 -0.990 29.8-125.3-142.6 149.6 -2.2 -5.1 0.1 51 51 A T E -EF 64 85B 21 34,-2.7 34,-2.5 -2,-0.3 2,-0.4 -0.882 38.9-161.7 -84.5 126.4 -4.6 -5.5 3.0 52 52 A I E -EF 63 84B 10 11,-2.7 11,-2.6 -2,-0.5 2,-0.3 -0.963 3.8-153.4-121.2 128.3 -4.7 -1.9 4.4 53 53 A W E -EF 62 83B 50 30,-2.3 29,-3.0 -2,-0.4 30,-0.9 -0.776 23.7-140.4-111.1 153.7 -5.9 -1.2 8.0 54 54 A E S S+ 0 0 71 7,-2.9 6,-0.2 -2,-0.3 8,-0.1 0.838 83.7 74.5 -67.8 -45.7 -7.6 1.7 9.9 55 55 A G S > S- 0 0 12 4,-2.7 28,-1.3 6,-0.4 3,-0.8 -0.360 88.7-111.1 -75.8 157.4 -5.5 1.1 13.0 56 56 A S T 3 S+ 0 0 68 1,-0.3 -27,-0.1 26,-0.2 -1,-0.1 -0.785 111.3 27.3 -78.2 122.5 -1.9 1.9 13.7 57 57 A G T 3 S- 0 0 39 -2,-0.5 -1,-0.3 1,-0.1 -28,-0.1 0.838 133.9 -71.6 81.5 41.9 -0.3 -1.6 13.9 58 58 A c S < S+ 0 0 35 -3,-0.8 2,-0.2 1,-0.2 -2,-0.1 0.829 96.7 119.0 45.8 57.0 -2.8 -3.4 11.6 59 59 A V + 0 0 92 2,-0.1 -4,-2.7 -6,-0.0 24,-0.2 -0.754 47.0 45.0-124.6 176.0 -5.9 -3.5 13.8 60 60 A G S S- 0 0 56 -2,-0.2 2,-0.0 -6,-0.2 0, 0.0 -0.448 102.7 -17.4 90.5-160.9 -9.3 -2.0 13.1 61 61 A R - 0 0 164 -2,-0.1 -7,-2.9 -8,-0.1 -6,-0.4 -0.324 68.3-166.2 -72.9 160.7 -11.2 -2.1 9.8 62 62 A S E -E 53 0B 49 -9,-0.3 2,-0.3 -8,-0.1 -9,-0.2 -0.982 19.6-151.1-145.1 160.5 -9.4 -2.9 6.6 63 63 A T E -E 52 0B 29 -11,-2.6 -11,-2.7 -2,-0.3 2,-0.5 -0.853 18.8-137.4-110.3 159.5 -9.7 -2.9 2.9 64 64 A T E -E 51 0B 93 -2,-0.3 2,-0.5 -13,-0.3 -13,-0.3 -0.995 34.3-175.3-110.1 111.5 -7.9 -5.3 0.5 65 65 A M E -E 50 0B 82 -15,-3.0 -15,-2.4 -2,-0.5 2,-0.3 -0.971 8.4-169.1-120.0 122.5 -6.7 -3.0 -2.2 66 66 A d E +E 49 0B 73 -2,-0.5 -17,-0.3 -17,-0.3 -2,-0.0 -0.779 6.8 176.1-105.7 152.8 -4.9 -4.1 -5.4 67 67 A e E -E 48 0B 22 -19,-2.3 -19,-2.4 -2,-0.3 4,-0.1 -0.975 31.3-106.1-151.9 143.7 -3.1 -2.0 -8.1 68 68 A P - 0 0 74 0, 0.0 3,-0.4 0, 0.0 2,-0.3 -0.010 48.2 -82.2 -64.8 172.2 -1.1 -3.0 -11.3 69 69 A A S S+ 0 0 14 -24,-0.3 -28,-0.2 1,-0.2 -29,-0.2 -0.636 112.9 17.6 -86.0 135.8 2.7 -2.9 -11.6 70 70 A N S S+ 0 0 92 -31,-1.5 2,-0.3 -30,-0.4 -1,-0.2 0.978 97.4 132.0 56.2 64.7 4.3 0.5 -12.4 71 71 A T E -C 39 0A 46 -32,-1.1 -32,-1.8 -3,-0.4 2,-0.5 -0.975 55.6-141.2-145.3 126.7 1.1 2.3 -11.4 72 72 A b E -C 38 0A 42 -2,-0.3 2,-0.5 -34,-0.2 -34,-0.2 -0.848 28.2-169.3 -87.3 120.6 0.8 5.3 -9.1 73 73 A e E -C 37 0A 17 -36,-2.0 -36,-2.5 -2,-0.5 2,-0.6 -0.943 17.7-139.1-130.7 105.4 -2.3 4.6 -7.0 74 74 A N E -C 36 0A 65 -2,-0.5 2,-0.8 -38,-0.2 -38,-0.3 -0.557 17.4-141.8 -68.2 113.0 -4.0 7.2 -4.8 75 75 A I + 0 0 15 -40,-2.0 2,-0.3 -2,-0.6 6,-0.1 -0.665 41.2 146.1 -74.1 107.7 -5.1 5.6 -1.5 76 76 A N + 0 0 120 -2,-0.8 2,-0.2 4,-0.1 4,-0.1 -0.962 20.3 167.4-137.0 129.8 -8.4 7.2 -0.5 77 77 A T - 0 0 42 2,-0.6 4,-0.1 -2,-0.3 -14,-0.0 -0.526 53.7 -90.0-126.5-169.7 -10.9 4.8 1.2 78 78 A G S S+ 0 0 73 -2,-0.2 2,-0.3 2,-0.1 3,-0.0 0.170 111.9 31.0 -88.7 11.7 -14.2 4.9 3.2 79 79 A F S S- 0 0 36 -18,-0.0 -2,-0.6 -25,-0.0 2,-0.3 -0.897 100.4 -80.8-146.3 174.9 -12.0 5.3 6.4 80 80 A Y - 0 0 123 -2,-0.3 2,-0.4 -4,-0.1 -2,-0.1 -0.668 47.6-142.6 -74.3 148.2 -8.8 6.7 7.5 81 81 A I + 0 0 26 -2,-0.3 -27,-0.3 1,-0.1 3,-0.1 -0.918 36.6 148.0-113.6 142.4 -5.9 4.4 6.6 82 82 A R + 0 0 110 -29,-3.0 -52,-1.4 1,-0.4 -28,-0.2 0.447 58.4 36.2-134.1 -66.8 -2.8 3.8 8.8 83 83 A S E +DF 29 53B 0 -28,-1.3 -30,-2.3 -30,-0.9 -1,-0.4 -0.432 55.0 174.5 -93.8 173.5 -1.4 0.3 8.6 84 84 A Y E -DF 28 52B 4 -56,-2.2 -56,-2.0 -32,-0.3 2,-0.3 -0.964 16.5-164.5-155.8 168.2 -1.0 -2.2 5.8 85 85 A R E - F 0 51B 88 -34,-2.5 -34,-2.7 -2,-0.3 -61,-0.1 -0.915 34.2-113.8-150.0 136.4 0.5 -5.6 5.1 86 86 A R E F 0 50B 66 -63,-1.5 -36,-0.3 -2,-0.3 -61,-0.1 -0.158 360.0 360.0 -68.4 166.4 1.0 -6.8 1.5 87 87 A V 0 0 67 -38,-3.0 -37,-0.2 -62,-0.0 -1,-0.1 0.536 360.0 360.0-139.6 360.0 -0.8 -9.7 -0.2