==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 25-OCT-06 2J8K . COMPND 2 MOLECULE: NP275-NP276; . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC PUNCTIFORME; . AUTHOR M.W.VETTING,S.S.HEGDE,K.Z.HAZLETON,J.S.BLANCHARD . 181 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7865.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 85.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 30.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 30 16.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 1 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 . 28 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 2 1 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 -5 A V 0 0 57 0, 0.0 6,-0.0 0, 0.0 11,-0.0 0.000 360.0 360.0 360.0 104.4 50.4 18.7 1.7 2 -4 A P + 0 0 32 0, 0.0 2,-0.3 0, 0.0 25,-0.3 -0.285 360.0 171.8 -53.0 123.2 46.6 18.8 2.4 3 -3 A R + 0 0 105 23,-0.1 3,-0.1 3,-0.1 23,-0.1 -0.987 63.9 25.7-129.3 144.7 45.7 21.3 5.2 4 -2 A G S S+ 0 0 90 -2,-0.3 2,-0.3 21,-0.3 22,-0.0 0.289 116.0 69.3 86.6 -13.5 42.2 22.3 6.2 5 -1 A S S S- 0 0 67 22,-0.0 22,-0.5 0, 0.0 -1,-0.2 -0.932 100.8 -84.6-130.9 158.8 40.9 18.9 4.8 6 0 A H B -a 27 0A 94 -2,-0.3 2,-0.4 -3,-0.1 22,-0.2 -0.423 47.8-123.0 -66.3 130.2 41.4 15.4 6.1 7 1 A M - 0 0 1 20,-2.8 2,-0.3 -2,-0.2 -1,-0.1 -0.602 16.0-131.9 -80.5 129.5 44.7 13.9 4.8 8 2 A D > - 0 0 100 -2,-0.4 4,-2.2 1,-0.1 5,-0.1 -0.612 12.9-134.4 -76.0 137.0 44.5 10.7 2.8 9 3 A V H > S+ 0 0 26 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.879 106.1 54.6 -63.8 -38.2 47.0 8.1 4.1 10 4 A E H > S+ 0 0 93 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.918 108.3 49.6 -59.7 -41.2 48.1 7.3 0.5 11 5 A K H > S+ 0 0 90 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.918 109.3 51.9 -61.0 -45.4 48.8 11.0 -0.1 12 6 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.930 109.9 49.2 -56.5 -47.9 50.8 11.1 3.2 13 7 A R H X S+ 0 0 100 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.906 112.0 48.4 -57.4 -45.5 52.9 8.1 2.1 14 8 A Q H X S+ 0 0 108 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.918 112.3 48.1 -64.9 -43.4 53.6 9.6 -1.4 15 9 A L H <>S+ 0 0 29 -4,-2.8 5,-2.3 2,-0.2 4,-0.3 0.939 113.2 46.5 -62.2 -49.3 54.6 12.9 0.1 16 10 A Y H ><5S+ 0 0 31 -4,-2.7 3,-1.8 -5,-0.2 -2,-0.2 0.933 111.6 52.4 -58.1 -43.9 57.0 11.3 2.7 17 11 A A H 3<5S+ 0 0 86 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.858 104.8 56.5 -62.5 -33.4 58.4 9.1 -0.0 18 12 A A T 3<5S- 0 0 88 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.452 128.9 -98.3 -74.9 -3.5 59.1 12.2 -2.2 19 13 A G T < 5S+ 0 0 48 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.396 74.0 145.2 103.8 -5.6 61.1 13.7 0.7 20 14 A E < + 0 0 72 -5,-2.3 -1,-0.3 -6,-0.2 3,-0.1 -0.489 14.3 167.3 -67.4 135.9 58.5 15.9 2.4 21 15 A R + 0 0 88 -2,-0.2 21,-3.5 20,-0.1 2,-1.2 0.475 45.7 95.7-123.7 -10.3 58.8 16.1 6.2 22 16 A D B +i 42 0B 68 19,-0.2 21,-0.1 1,-0.2 -1,-0.1 -0.695 30.8 147.8 -95.3 95.5 56.7 19.1 7.2 23 17 A F > + 0 0 0 19,-2.6 3,-1.7 -2,-1.2 -1,-0.2 -0.111 22.2 162.1-110.8 34.1 53.3 17.7 8.2 24 18 A S T 3 - 0 0 26 1,-0.2 21,-0.2 19,-0.1 19,-0.1 -0.268 68.7 -1.1 -53.6 140.0 52.6 20.3 10.8 25 19 A I T 3 S+ 0 0 98 19,-2.5 -21,-0.3 1,-0.2 -1,-0.2 0.516 89.3 160.7 56.0 14.7 48.9 20.6 11.8 26 20 A V < - 0 0 0 -3,-1.7 21,-3.0 18,-0.2 2,-0.9 -0.257 42.8-121.2 -67.6 151.6 47.7 17.9 9.4 27 21 A D B +ab 6 47A 18 -22,-0.5 -20,-2.8 -25,-0.3 21,-0.1 -0.814 50.1 146.8 -99.1 102.3 44.4 16.3 10.0 28 22 A L > + 0 0 0 19,-2.6 3,-2.3 -2,-0.9 -1,-0.1 -0.077 20.4 158.8-120.0 28.0 44.9 12.5 10.4 29 23 A R T 3 S- 0 0 121 1,-0.3 21,-0.2 22,-0.1 19,-0.1 -0.331 75.2 -2.7 -58.2 132.1 42.1 12.0 12.9 30 24 A G T 3 S+ 0 0 44 19,-2.6 -1,-0.3 1,-0.2 20,-0.1 0.525 96.2 158.5 63.7 9.4 41.0 8.3 12.9 31 25 A A < - 0 0 6 -3,-2.3 21,-2.8 18,-0.2 2,-1.3 -0.274 49.0-123.0 -71.6 150.2 43.4 7.5 10.2 32 26 A V B +p 52 0C 84 19,-0.2 21,-0.1 1,-0.2 -1,-0.1 -0.743 50.4 151.7 -93.5 92.0 44.6 3.9 9.6 33 27 A L > + 0 0 0 19,-2.4 3,-2.3 -2,-1.3 -1,-0.2 0.192 14.4 148.9-107.2 12.1 48.4 4.6 10.0 34 28 A E T 3 S+ 0 0 73 1,-0.3 21,-0.2 18,-0.2 3,-0.1 -0.198 73.3 4.4 -56.3 140.9 49.4 1.2 11.3 35 29 A N T 3 S+ 0 0 107 19,-2.9 -1,-0.3 1,-0.2 21,-0.1 0.439 92.4 150.4 63.4 6.1 52.9 0.1 10.3 36 30 A I < - 0 0 4 -3,-2.3 21,-3.0 18,-0.2 2,-0.7 -0.365 43.1-139.0 -67.6 144.7 53.6 3.5 8.6 37 31 A N B +w 57 0D 82 19,-0.2 21,-0.2 -3,-0.1 -1,-0.1 -0.926 40.2 150.4-105.0 106.4 57.2 4.7 8.5 38 32 A L > + 0 0 2 19,-2.8 3,-2.5 -2,-0.7 -1,-0.1 -0.147 19.3 166.8-121.0 34.6 57.2 8.4 9.3 39 33 A S T 3 S+ 0 0 35 1,-0.3 21,-0.2 22,-0.1 19,-0.1 -0.219 70.5 8.6 -57.5 135.8 60.6 8.6 10.9 40 34 A G T 3 S+ 0 0 37 19,-2.6 -1,-0.3 1,-0.2 20,-0.1 0.416 93.1 149.3 76.5 -2.2 61.9 12.1 11.3 41 35 A A < - 0 0 0 -3,-2.5 21,-2.5 18,-0.2 2,-0.8 -0.302 49.5-127.1 -63.9 145.3 58.5 13.6 10.2 42 36 A I B +ij 22 62B 61 -21,-3.5 -19,-2.6 19,-0.2 21,-0.2 -0.870 39.4 160.5 -91.7 112.0 57.4 17.0 11.6 43 37 A L > + 0 0 2 19,-3.2 3,-2.5 -2,-0.8 -1,-0.1 -0.084 14.6 161.7-119.8 31.4 53.9 16.4 13.0 44 38 A H T 3 S- 0 0 84 1,-0.3 -19,-2.5 -20,-0.1 21,-0.2 -0.264 74.4 -2.4 -56.5 127.1 53.9 19.4 15.2 45 39 A G T 3 S+ 0 0 25 19,-2.2 -1,-0.3 -21,-0.2 20,-0.1 0.567 95.3 159.4 69.0 7.0 50.3 20.3 16.2 46 40 A A < - 0 0 0 -3,-2.5 21,-2.4 18,-0.2 2,-0.9 -0.217 44.9-124.6 -65.1 154.4 48.9 17.4 14.1 47 41 A M B +bc 27 67A 68 -21,-3.0 -19,-2.6 19,-0.2 21,-0.1 -0.870 47.6 150.8-102.3 102.1 45.5 16.1 14.8 48 42 A L > + 0 0 4 19,-3.0 3,-2.1 -2,-0.9 20,-0.2 0.098 17.3 149.9-120.2 18.1 46.0 12.4 15.3 49 43 A D T 3 S+ 0 0 21 18,-0.3 -19,-2.6 1,-0.3 -18,-0.2 -0.259 74.5 2.9 -58.5 138.9 43.1 11.7 17.7 50 44 A E T 3 S+ 0 0 126 19,-2.3 -1,-0.3 -21,-0.2 20,-0.1 0.530 96.1 152.4 65.7 3.4 41.7 8.2 17.5 51 45 A A < - 0 0 1 -3,-2.1 21,-3.0 18,-0.2 2,-0.8 -0.334 49.6-126.0 -68.1 150.3 44.3 7.2 14.9 52 46 A N B +pq 32 72C 33 -21,-2.8 -19,-2.4 19,-0.2 -18,-0.2 -0.885 41.4 158.5 -94.6 103.5 45.5 3.7 14.5 53 47 A L > + 0 0 1 19,-3.1 3,-2.1 -2,-0.8 -1,-0.1 -0.093 13.0 162.8-114.2 30.9 49.3 4.0 14.8 54 48 A Q T 3 S- 0 0 61 1,-0.3 -19,-2.9 22,-0.1 21,-0.2 -0.297 75.8 -9.8 -56.2 129.0 50.0 0.3 15.7 55 49 A Q T 3 S+ 0 0 138 19,-2.4 -1,-0.3 -21,-0.2 2,-0.2 0.767 94.4 161.0 50.5 32.4 53.7 -0.5 15.2 56 50 A A < - 0 0 1 -3,-2.1 21,-3.1 18,-0.2 2,-0.9 -0.537 42.9-125.6 -75.0 146.7 54.3 2.8 13.4 57 51 A N B +wx 37 77D 47 -21,-3.0 -19,-2.8 19,-0.2 21,-0.1 -0.849 46.0 151.9 -94.6 103.5 57.8 4.1 13.1 58 52 A L > + 0 0 3 19,-3.2 3,-2.3 -2,-0.9 -1,-0.1 -0.073 18.1 155.1-115.2 26.7 57.8 7.6 14.5 59 53 A S T 3 S+ 0 0 19 1,-0.3 -19,-2.6 19,-0.1 21,-0.2 -0.339 74.9 0.8 -61.8 134.8 61.4 7.7 15.7 60 54 A R T 3 S+ 0 0 150 19,-2.6 -1,-0.3 1,-0.2 2,-0.1 0.594 96.6 149.0 59.9 16.5 62.8 11.2 15.9 61 55 A A < - 0 0 2 -3,-2.3 21,-2.5 18,-0.2 2,-0.9 -0.466 50.8-127.4 -73.4 149.5 59.3 12.6 14.8 62 56 A D B +jk 42 82B 46 -21,-2.5 -19,-3.2 19,-0.2 21,-0.1 -0.869 41.9 157.9 -98.9 103.5 58.3 16.0 16.2 63 57 A L > + 0 0 0 19,-2.9 3,-2.4 -2,-0.9 20,-0.1 0.101 19.5 151.0-106.3 19.8 54.9 15.4 17.7 64 58 A S T 3 S+ 0 0 12 1,-0.3 -19,-2.2 18,-0.1 -18,-0.2 -0.230 73.9 1.7 -61.1 135.4 55.1 18.4 20.0 65 59 A G T 3 S+ 0 0 32 19,-2.5 -1,-0.3 1,-0.2 20,-0.1 0.456 96.3 144.0 68.1 1.9 51.7 19.9 20.7 66 60 A A < - 0 0 0 -3,-2.4 21,-2.4 18,-0.2 2,-0.5 -0.316 49.9-125.5 -68.1 157.6 49.9 17.2 18.7 67 61 A T B +cd 47 87A 37 -21,-2.4 -19,-3.0 19,-0.2 -18,-0.3 -0.930 37.0 161.1-107.6 128.0 46.6 15.8 19.8 68 62 A L > + 0 0 0 19,-3.2 3,-2.2 -2,-0.5 -1,-0.1 -0.163 10.9 166.4-138.6 34.4 46.4 12.0 20.2 69 63 A N T 3 S- 0 0 53 1,-0.3 -19,-2.3 22,-0.1 21,-0.2 -0.357 78.5 -4.5 -56.6 131.6 43.4 11.5 22.4 70 64 A G T 3 S+ 0 0 26 19,-1.9 -1,-0.3 -21,-0.2 21,-0.1 0.588 95.3 158.9 62.2 12.0 42.4 7.8 22.4 71 65 A A < - 0 0 0 -3,-2.2 21,-3.1 18,-0.2 2,-0.8 -0.331 42.4-128.8 -70.5 153.5 45.1 7.1 19.8 72 66 A D B +qr 52 92C 21 -21,-3.0 -19,-3.1 19,-0.2 21,-0.2 -0.860 40.7 156.6-106.0 98.7 46.3 3.5 19.4 73 67 A L > + 0 0 1 19,-3.3 3,-2.5 -2,-0.8 -1,-0.1 -0.009 15.6 158.5-108.5 24.6 50.1 3.6 19.5 74 68 A R T 3 S- 0 0 99 1,-0.3 -19,-2.4 18,-0.1 21,-0.2 -0.296 76.9 -4.5 -56.0 126.6 50.5 -0.0 20.6 75 69 A G T 3 S+ 0 0 25 19,-2.1 -1,-0.3 1,-0.2 20,-0.1 0.519 95.7 150.4 68.0 7.3 54.1 -1.1 19.7 76 70 A A < - 0 0 0 -3,-2.5 21,-2.9 18,-0.2 2,-0.7 -0.364 46.7-126.7 -67.1 150.4 54.9 2.2 17.9 77 71 A N B +xy 57 97D 49 -21,-3.1 -19,-3.2 19,-0.2 21,-0.2 -0.914 38.3 160.5-103.9 114.6 58.5 3.4 17.9 78 72 A L > + 0 0 1 19,-4.0 3,-2.4 -2,-0.7 20,-0.1 -0.120 17.6 161.6-118.6 30.2 58.8 6.9 19.3 79 73 A S T 3 S- 0 0 16 1,-0.3 -19,-2.6 18,-0.2 -18,-0.2 -0.315 75.8 -4.5 -57.1 128.6 62.5 6.7 20.1 80 74 A K T 3 S+ 0 0 75 19,-2.7 -1,-0.3 1,-0.2 21,-0.1 0.636 100.7 146.7 62.0 17.2 64.0 10.2 20.4 81 75 A A < - 0 0 2 -3,-2.4 21,-2.5 18,-0.2 2,-0.6 -0.436 49.9-123.4 -79.3 160.3 60.6 11.7 19.4 82 76 A D B +kl 62 102B 50 -21,-2.5 -19,-2.9 19,-0.2 21,-0.2 -0.924 39.7 157.2-106.3 116.8 59.3 15.0 20.8 83 77 A L > + 0 0 1 19,-3.1 3,-2.3 -2,-0.6 20,-0.1 0.016 21.5 151.7-120.6 21.0 55.9 14.8 22.4 84 78 A S T 3 S+ 0 0 16 1,-0.3 -19,-2.5 18,-0.1 -18,-0.2 -0.288 75.5 1.7 -59.4 138.1 56.2 17.9 24.6 85 79 A D T 3 S+ 0 0 87 19,-1.9 -1,-0.3 -21,-0.2 21,-0.2 0.574 97.6 146.2 61.6 12.5 52.9 19.5 25.3 86 80 A A < - 0 0 1 -3,-2.3 21,-2.7 18,-0.2 2,-0.6 -0.391 49.6-127.6 -75.1 158.7 51.1 16.7 23.4 87 81 A I B +de 67 107A 55 -21,-2.4 -19,-3.2 19,-0.2 21,-0.2 -0.931 41.4 154.0-109.1 112.5 47.7 15.4 24.5 88 82 A L > + 0 0 2 19,-3.5 3,-2.5 -2,-0.6 20,-0.1 0.040 15.1 156.0-124.1 27.3 47.6 11.6 24.9 89 83 A D T 3 S+ 0 0 33 1,-0.3 -19,-1.9 18,-0.1 -18,-0.2 -0.282 77.4 2.0 -56.7 132.7 44.8 11.3 27.4 90 84 A N T 3 S+ 0 0 104 19,-2.4 -1,-0.3 1,-0.2 21,-0.1 0.589 97.5 147.1 64.2 13.6 43.3 7.8 27.1 91 85 A A < - 0 0 1 -3,-2.5 21,-2.3 18,-0.2 2,-0.6 -0.340 48.5-125.7 -72.2 161.6 45.8 6.8 24.4 92 86 A I B +rs 72 112C 50 -21,-3.1 -19,-3.3 19,-0.2 21,-0.2 -0.951 38.7 158.2-112.8 117.6 47.0 3.3 24.2 93 87 A L > + 0 0 1 19,-3.6 3,-2.5 -2,-0.6 -18,-0.1 0.034 14.1 158.5-127.2 26.3 50.8 2.9 24.2 94 88 A E T 3 S- 0 0 62 1,-0.3 -19,-2.1 18,-0.1 21,-0.2 -0.268 77.6 -1.5 -55.4 132.3 51.2 -0.7 25.3 95 89 A G T 3 S+ 0 0 36 19,-2.5 -1,-0.3 -21,-0.2 20,-0.1 0.549 95.5 149.7 65.3 7.2 54.6 -2.0 24.3 96 90 A A < - 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