==== 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 26-NOV-01 1KG1 . COMPND 2 MOLECULE: NECROSIS INDUCING PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RHYNCHOSPORIUM SECALIS; . AUTHOR K.A.VAN'T SLOT,H.A.VAN DEN BURG,C.P.KLOKS,C.W.HILBERS, . 60 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5194.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 31 51.7 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 . 19 31.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.7 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 . 1 1.7 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 . 9 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 6.7 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+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 . 2 1 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 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 D 0 0 186 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 175.3 -23.8 -6.0 -2.8 2 2 A R - 0 0 224 1,-0.2 0, 0.0 19,-0.0 0, 0.0 -0.453 360.0 -83.9 -81.5 155.6 -20.7 -8.0 -3.8 3 3 A a - 0 0 25 -2,-0.1 2,-0.7 1,-0.1 18,-0.2 -0.046 41.7-119.5 -51.9 160.4 -17.3 -7.5 -2.2 4 4 A R E -A 20 0A 144 16,-1.5 16,-0.5 -3,-0.1 14,-0.1 -0.861 22.0-131.5-112.5 96.3 -15.2 -4.7 -3.5 5 5 A Y E -A 19 0A 178 -2,-0.7 2,-0.2 14,-0.2 14,-0.2 -0.236 36.8-177.7 -48.2 110.0 -11.9 -6.0 -4.9 6 6 A T E -A 18 0A 53 12,-2.2 12,-3.2 -2,-0.1 2,-0.8 -0.711 30.9-111.7-112.4 164.3 -9.4 -3.7 -3.3 7 7 A L E +A 17 0A 115 10,-0.3 2,-0.3 -2,-0.2 10,-0.3 -0.862 49.7 155.1-100.4 108.5 -5.6 -3.5 -3.7 8 8 A b E -A 16 0A 8 8,-2.1 8,-2.5 -2,-0.8 2,-0.3 -0.832 38.7-115.4-128.0 165.7 -3.9 -4.5 -0.4 9 9 A c B -B 27 0B 10 18,-3.1 18,-0.5 -2,-0.3 6,-0.1 -0.763 4.9-147.9-103.4 149.5 -0.5 -5.9 0.5 10 10 A D - 0 0 101 -2,-0.3 -1,-0.1 16,-0.1 18,-0.1 0.556 36.9-127.9 -89.1 -11.1 0.1 -9.3 2.0 11 11 A G S S+ 0 0 37 16,-0.2 2,-0.1 32,-0.0 33,-0.1 0.010 98.1 43.1 87.4 -27.9 3.1 -7.9 3.9 12 12 A A S S+ 0 0 73 2,-0.1 2,-0.0 0, 0.0 -3,-0.0 -0.581 115.6 28.8-150.8 79.0 5.2 -10.7 2.5 13 13 A L S S- 0 0 138 -2,-0.1 2,-0.2 3,-0.0 -4,-0.0 -0.393 107.9 -53.5 173.2 -84.0 4.6 -11.4 -1.2 14 14 A K - 0 0 172 -6,-0.1 -6,-0.1 -2,-0.0 -2,-0.1 -0.712 55.8 -87.6 174.6 132.6 3.4 -8.5 -3.4 15 15 A A + 0 0 49 -2,-0.2 -6,-0.2 -6,-0.1 2,-0.2 -0.239 62.9 153.5 -50.1 126.0 0.7 -5.9 -3.4 16 16 A V E -A 8 0A 89 -8,-2.5 -8,-2.1 -10,-0.1 2,-0.4 -0.786 46.3 -78.8-143.8-175.1 -2.3 -7.5 -5.1 17 17 A S E -A 7 0A 65 -10,-0.3 2,-0.3 -2,-0.2 -10,-0.3 -0.817 43.3-173.8 -98.5 132.7 -6.1 -7.3 -5.2 18 18 A A E -A 6 0A 42 -12,-3.2 -12,-2.2 -2,-0.4 2,-1.2 -0.853 32.1-115.4-123.2 158.8 -8.1 -9.0 -2.5 19 19 A a E +A 5 0A 71 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.724 57.6 148.3 -95.7 85.1 -11.9 -9.5 -2.1 20 20 A L E -A 4 0A 10 -2,-1.2 -16,-1.5 -16,-0.5 2,-0.1 -0.835 39.7-126.9-118.4 156.7 -12.5 -7.5 1.0 21 21 A H > - 0 0 105 -2,-0.3 3,-1.3 -18,-0.2 -18,-0.1 -0.440 28.0-108.0 -95.7 172.1 -15.5 -5.5 2.1 22 22 A E T 3 S+ 0 0 129 1,-0.3 -1,-0.1 -2,-0.1 -19,-0.0 0.807 121.4 58.4 -68.4 -30.8 -15.8 -1.9 3.2 23 23 A S T 3 S+ 0 0 134 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 0.402 104.7 69.0 -78.7 2.9 -16.3 -3.1 6.8 24 24 A E < - 0 0 102 -3,-1.3 2,-0.3 2,-0.0 -4,-0.1 -0.915 65.6-163.9-124.3 150.4 -13.0 -4.8 6.4 25 25 A S - 0 0 104 -2,-0.3 2,-0.3 3,-0.0 -4,-0.1 -0.784 3.6-171.1-126.7 170.2 -9.4 -3.4 6.1 26 26 A b - 0 0 42 -2,-0.3 2,-1.4 -19,-0.1 -16,-0.1 -0.934 47.7 -66.0-153.2 170.7 -6.1 -4.7 5.0 27 27 A L B -B 9 0B 68 -18,-0.5 -18,-3.1 -2,-0.3 -16,-0.2 -0.494 58.5-153.0 -67.1 93.1 -2.4 -3.7 4.9 28 28 A V - 0 0 94 -2,-1.4 -20,-0.1 -20,-0.2 -1,-0.0 -0.429 10.8-124.0 -70.6 143.5 -2.7 -0.8 2.5 29 29 A P - 0 0 31 0, 0.0 2,-0.3 0, 0.0 13,-0.2 0.028 20.0-132.0 -75.1-172.4 0.4 -0.0 0.5 30 30 A G E -C 41 0C 9 11,-2.1 11,-2.3 2,-0.0 2,-0.7 -0.996 3.9-135.1-148.8 142.9 2.2 3.3 0.2 31 31 A D E -C 40 0C 53 -2,-0.3 29,-2.4 9,-0.2 2,-0.5 -0.880 20.6-156.9-102.7 110.3 3.6 5.5 -2.5 32 32 A d E -CD 39 59C 0 7,-2.7 7,-1.7 -2,-0.7 2,-0.5 -0.760 7.6-149.1 -89.3 126.0 7.1 6.8 -1.7 33 33 A e E -CD 38 58C 46 25,-2.2 25,-1.5 -2,-0.5 2,-0.5 -0.822 11.9-172.0 -98.2 132.3 8.0 10.0 -3.6 34 34 A R E > -C 37 0C 104 3,-2.7 2,-2.2 -2,-0.5 3,-1.4 -0.821 60.4 -68.3-127.8 91.1 11.6 10.5 -4.5 35 35 A G T 3 S- 0 0 84 -2,-0.5 3,-0.1 1,-0.3 -2,-0.0 -0.447 122.5 -14.3 67.7 -81.7 12.2 14.0 -5.9 36 36 A K T 3 S+ 0 0 212 -2,-2.2 2,-0.4 1,-0.1 -1,-0.3 0.028 122.2 89.5-139.5 23.2 10.3 13.4 -9.2 37 37 A S E < -C 34 0C 83 -3,-1.4 -3,-2.7 2,-0.0 2,-0.3 -0.975 58.0-158.3-130.6 118.0 10.0 9.6 -9.1 38 38 A R E -C 33 0C 165 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.677 11.7-178.7 -95.0 148.6 7.0 7.9 -7.4 39 39 A L E -C 32 0C 71 -7,-1.7 -7,-2.7 -2,-0.3 2,-0.5 -0.995 17.5-147.1-147.6 144.6 7.1 4.3 -6.2 40 40 A T E +C 31 0C 63 -2,-0.3 2,-0.3 -9,-0.3 -9,-0.2 -0.961 33.9 144.2-118.8 118.1 4.6 2.0 -4.6 41 41 A L E -C 30 0C 71 -11,-2.3 -11,-2.1 -2,-0.5 2,-0.6 -0.851 49.0-102.7-141.3 174.9 5.8 -0.6 -2.1 42 42 A c + 0 0 39 -2,-0.3 2,-0.3 -13,-0.2 -14,-0.0 -0.928 54.1 138.6-109.1 116.7 4.7 -2.3 1.1 43 43 A S - 0 0 55 -2,-0.6 9,-1.3 9,-0.1 2,-0.1 -0.907 35.3-145.1-160.5 128.3 6.3 -1.1 4.2 44 44 A Y B -E 51 0D 123 -2,-0.3 2,-0.5 7,-0.3 7,-0.3 -0.431 14.0-131.5 -90.4 167.0 5.1 -0.3 7.7 45 45 A G > - 0 0 12 5,-3.5 3,-0.8 -2,-0.1 5,-0.4 -0.975 30.5-104.1-126.3 119.1 6.2 2.4 10.1 46 46 A E T 3 S+ 0 0 173 -2,-0.5 3,-0.1 1,-0.2 5,-0.0 -0.060 93.8 73.6 -38.7 125.7 7.0 1.7 13.7 47 47 A G T 3 S- 0 0 86 1,-0.1 -1,-0.2 3,-0.0 -3,-0.0 -0.270 107.0 -70.7 163.5 -63.7 4.1 3.0 15.8 48 48 A G S < S- 0 0 61 -3,-0.8 -1,-0.1 2,-0.1 -2,-0.1 -0.127 107.6 -1.0-179.9 -68.2 1.1 0.8 15.5 49 49 A N S S+ 0 0 179 -3,-0.1 2,-0.3 2,-0.1 -3,-0.1 -0.516 94.6 109.0-147.8 71.3 -0.7 0.8 12.2 50 50 A G - 0 0 44 -5,-0.4 -5,-3.5 -2,-0.0 2,-0.3 -0.986 56.4-123.2-147.2 153.8 0.9 3.2 9.8 51 51 A F B -E 44 0D 53 -2,-0.3 -7,-0.3 -7,-0.3 2,-0.2 -0.731 26.2-172.0-100.0 148.3 3.0 3.1 6.6 52 52 A Q - 0 0 96 -9,-1.3 -9,-0.1 -2,-0.3 6,-0.1 -0.728 18.1-118.0-128.9 177.8 6.4 4.6 6.2 53 53 A d - 0 0 11 -2,-0.2 3,-0.1 4,-0.1 6,-0.1 -0.847 29.9-105.8-119.7 156.3 9.0 5.3 3.4 54 54 A P > - 0 0 53 0, 0.0 3,-2.0 0, 0.0 2,-0.2 -0.233 53.1 -72.6 -75.0 167.4 12.5 4.0 3.0 55 55 A T T 3 S+ 0 0 140 1,-0.3 3,-0.1 -2,-0.0 0, 0.0 -0.417 123.2 23.9 -63.8 129.1 15.6 6.1 3.5 56 56 A G T 3 S+ 0 0 56 1,-0.4 -1,-0.3 -2,-0.2 2,-0.2 0.321 111.7 90.8 96.7 -5.1 16.1 8.7 0.7 57 57 A Y < - 0 0 70 -3,-2.0 -1,-0.4 -23,-0.1 2,-0.2 -0.632 55.0-162.0-115.8 174.7 12.4 8.6 -0.1 58 58 A R E -D 33 0C 190 -25,-1.5 -25,-2.2 -2,-0.2 2,-0.4 -0.819 33.4 -74.0-144.6-177.9 9.3 10.5 1.0 59 59 A Q E D 32 0C 110 -27,-0.3 -27,-0.2 -2,-0.2 -6,-0.0 -0.714 360.0 360.0 -89.0 133.8 5.5 10.3 1.2 60 60 A e 0 0 83 -29,-2.4 -1,-0.2 -2,-0.4 -28,-0.1 0.933 360.0 360.0 -79.4 360.0 3.6 10.9 -2.1