==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 25-OCT-06 2J8I . COMPND 2 MOLECULE: NP275; . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC PUNCTIFORME; . AUTHOR M.W.VETTING,S.S.HEGDE,K.Z.HAZLETON,J.S.BLANCHARD . 222 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10957.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 77.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 25.2 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 . 34 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 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 . 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 4 4 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 -7 A G 0 0 94 0, 0.0 2,-0.3 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0 -6.5 22.0 7.1 26.5 2 -6 A L - 0 0 102 1,-0.0 15,-0.1 216,-0.0 216,-0.1 -0.618 360.0-121.2 -81.9 142.8 19.4 9.2 24.7 3 -5 A V - 0 0 19 -2,-0.3 2,-0.2 21,-0.1 -1,-0.0 -0.743 31.8-123.0 -82.1 113.3 17.0 11.3 26.8 4 -4 A P + 0 0 39 0, 0.0 25,-0.3 0, 0.0 2,-0.3 -0.419 38.7 171.7 -65.4 130.9 13.4 10.1 26.0 5 -3 A R + 0 0 38 -2,-0.2 212,-0.4 210,-0.1 23,-0.1 -0.950 54.6 39.4-135.5 152.6 11.1 12.9 24.7 6 -2 A G S S+ 0 0 13 21,-0.4 208,-3.9 -2,-0.3 2,-0.3 0.472 110.3 66.3 83.8 2.5 7.6 12.9 23.3 7 -1 A S S S- 0 0 66 206,-0.2 22,-0.7 207,-0.1 2,-0.4 -0.962 102.7 -80.8-143.4 160.6 6.6 10.3 25.8 8 0 A H B -a 29 0A 94 -2,-0.3 2,-0.2 -3,-0.1 22,-0.2 -0.491 55.0-124.1 -61.7 118.0 6.2 10.1 29.6 9 1 A M - 0 0 1 20,-3.1 2,-0.4 -2,-0.4 -1,-0.1 -0.470 14.6-122.1 -69.1 135.7 9.7 9.6 30.9 10 2 A D > - 0 0 97 -2,-0.2 4,-2.2 1,-0.1 3,-0.2 -0.669 14.6-142.6 -70.3 124.9 10.4 6.6 33.1 11 3 A V H > S+ 0 0 13 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.856 101.8 57.7 -62.4 -35.1 11.8 7.9 36.5 12 4 A E H > S+ 0 0 110 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.900 108.8 46.2 -61.3 -39.3 14.2 4.9 36.6 13 5 A K H > S+ 0 0 77 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.863 110.8 52.2 -69.6 -43.8 15.6 6.0 33.3 14 6 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.934 110.4 48.7 -50.6 -51.6 15.8 9.7 34.4 15 7 A R H X S+ 0 0 106 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.886 112.2 48.2 -62.6 -43.1 17.7 8.6 37.6 16 8 A Q H X S+ 0 0 122 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.916 113.0 47.2 -62.0 -43.6 20.1 6.4 35.5 17 9 A L H X>S+ 0 0 10 -4,-2.4 5,-2.1 2,-0.2 4,-0.6 0.942 113.0 49.2 -65.6 -47.4 20.8 9.3 33.0 18 10 A Y H ><5S+ 0 0 32 -4,-2.8 3,-1.1 1,-0.2 -1,-0.2 0.904 111.3 49.6 -54.3 -44.6 21.3 11.8 35.8 19 11 A A H 3<5S+ 0 0 85 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.766 105.5 58.2 -67.4 -27.7 23.7 9.3 37.5 20 12 A A H 3<5S- 0 0 89 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.554 128.0 -97.5 -78.3 -11.1 25.6 8.9 34.2 21 13 A G T <<5S+ 0 0 49 -3,-1.1 -3,-0.2 -4,-0.6 2,-0.1 0.295 74.2 146.4 114.3 -7.8 26.2 12.7 34.1 22 14 A E < + 0 0 67 -5,-2.1 -1,-0.3 -6,-0.2 -2,-0.1 -0.395 14.0 167.0 -66.2 130.8 23.4 13.8 31.8 23 15 A R + 0 0 86 -2,-0.1 21,-3.3 20,-0.1 2,-1.2 0.583 47.0 94.3-118.5 -16.1 22.0 17.3 32.7 24 16 A D B +e 44 0B 47 19,-0.2 21,-0.1 1,-0.1 -21,-0.1 -0.655 30.5 146.6 -89.5 95.9 19.9 18.2 29.7 25 17 A F > + 0 0 0 19,-2.5 3,-1.3 -2,-1.2 -1,-0.1 -0.157 24.4 159.7-115.6 35.5 16.3 17.2 30.4 26 18 A S T 3 + 0 0 13 1,-0.2 21,-0.2 19,-0.1 19,-0.1 -0.300 66.8 2.1 -52.4 141.0 14.8 20.0 28.4 27 19 A I T 3 S+ 0 0 22 19,-2.5 -21,-0.4 1,-0.2 -1,-0.2 0.597 90.4 154.9 54.1 21.4 11.2 19.6 27.3 28 20 A V < - 0 0 0 -3,-1.3 21,-3.1 18,-0.1 2,-0.7 -0.364 46.2-122.6 -74.5 157.6 10.8 16.1 29.0 29 21 A D B +ab 8 49A 14 -22,-0.7 -20,-3.1 -25,-0.3 21,-0.2 -0.911 46.7 149.8-105.7 103.5 7.4 14.8 30.0 30 22 A L > + 0 0 0 19,-3.3 3,-1.8 -2,-0.7 2,-0.1 -0.149 20.7 156.0-120.9 29.2 7.4 14.1 33.8 31 23 A R T 3 S- 0 0 87 1,-0.3 21,-0.2 22,-0.1 20,-0.1 -0.409 75.0 -2.2 -61.8 128.5 3.7 14.8 34.4 32 24 A G T 3 S+ 0 0 45 19,-2.5 -1,-0.3 1,-0.2 21,-0.1 0.576 96.9 160.7 67.7 9.1 2.4 13.0 37.5 33 25 A A < - 0 0 3 -3,-1.8 21,-3.0 18,-0.2 2,-1.2 -0.275 47.8-122.6 -68.3 146.9 5.9 11.4 38.0 34 26 A V B +i 54 0C 99 19,-0.2 21,-0.1 1,-0.1 -1,-0.1 -0.774 51.2 150.1 -88.2 91.6 6.9 9.9 41.4 35 27 A L > + 0 0 0 19,-2.1 3,-2.1 -2,-1.2 -1,-0.1 0.147 15.4 153.4-109.3 16.3 10.1 12.0 41.9 36 28 A E T 3 S+ 0 0 72 1,-0.3 21,-0.2 22,-0.1 19,-0.1 -0.193 73.1 0.4 -51.3 132.9 9.9 12.0 45.7 37 29 A N T 3 S+ 0 0 104 19,-3.0 -1,-0.3 1,-0.2 20,-0.1 0.408 94.7 151.2 71.2 -4.6 13.4 12.4 47.3 38 30 A I < - 0 0 3 -3,-2.1 21,-3.3 18,-0.2 2,-0.8 -0.264 45.2-135.6 -65.9 145.2 15.1 12.6 43.9 39 31 A N B +l 59 0D 76 19,-0.2 21,-0.2 1,-0.1 -1,-0.1 -0.899 40.9 150.8 -96.8 107.5 18.4 14.6 43.4 40 32 A L > + 0 0 0 19,-3.0 3,-2.3 -2,-0.8 -1,-0.1 -0.074 20.4 156.4-119.1 28.1 18.0 16.6 40.2 41 33 A S T 3 + 0 0 29 1,-0.3 21,-0.2 18,-0.1 3,-0.1 -0.296 69.9 11.7 -59.4 133.9 20.3 19.4 41.3 42 34 A G T 3 S+ 0 0 36 19,-1.7 -1,-0.3 1,-0.2 2,-0.2 0.446 92.5 148.6 79.7 -1.0 21.8 21.3 38.3 43 35 A A < - 0 0 0 -3,-2.3 21,-1.7 18,-0.2 2,-0.8 -0.451 49.9-130.1 -68.2 134.0 19.4 19.6 35.9 44 36 A I B +ef 24 64B 60 -21,-3.3 -19,-2.5 19,-0.2 21,-0.1 -0.785 38.3 161.8 -79.8 113.1 18.3 21.5 32.9 45 37 A L > + 0 0 0 19,-2.9 3,-1.9 -2,-0.8 2,-0.1 -0.162 12.6 161.5-122.1 32.8 14.5 21.2 32.9 46 38 A H T 3 S- 0 0 81 1,-0.3 -19,-2.5 22,-0.1 21,-0.2 -0.372 75.1 -3.9 -59.3 125.0 13.7 24.1 30.5 47 39 A G T 3 S+ 0 0 28 19,-2.1 -1,-0.3 1,-0.2 21,-0.2 0.622 98.8 149.8 65.5 14.1 10.2 23.9 29.1 48 40 A A < - 0 0 0 -3,-1.9 21,-2.4 18,-0.2 2,-0.6 -0.382 47.8-125.1 -76.5 157.1 9.7 20.5 30.8 49 41 A M B +bc 29 69A 57 -21,-3.1 -19,-3.3 19,-0.2 21,-0.2 -0.933 43.0 152.3-107.9 115.8 6.3 19.3 32.0 50 42 A L > + 0 0 0 19,-3.2 3,-2.1 -2,-0.6 -18,-0.2 0.001 20.0 156.5-125.2 20.1 6.2 18.4 35.7 51 43 A D T 3 S- 0 0 37 1,-0.3 -19,-2.5 18,-0.2 -18,-0.2 -0.234 74.5 -1.3 -52.9 134.8 2.5 19.1 36.2 52 44 A E T 3 S+ 0 0 135 19,-2.6 -1,-0.3 -21,-0.2 21,-0.1 0.580 94.7 155.3 63.3 11.7 1.1 17.2 39.2 53 45 A A < - 0 0 0 -3,-2.1 21,-3.0 18,-0.1 2,-1.0 -0.356 50.9-119.3 -69.4 148.7 4.5 15.4 39.9 54 46 A N B +ij 34 74C 32 -21,-3.0 -19,-2.1 19,-0.2 21,-0.1 -0.827 46.4 158.2 -84.6 99.1 5.4 14.1 43.4 55 47 A L > + 0 0 0 19,-2.3 3,-2.0 -2,-1.0 2,-0.1 -0.086 12.9 157.6-110.0 31.3 8.5 16.2 44.1 56 48 A Q T 3 S- 0 0 39 1,-0.3 -19,-3.0 19,-0.1 21,-0.2 -0.406 77.1 -6.3 -65.1 127.7 8.4 15.9 47.9 57 49 A Q T 3 S+ 0 0 107 19,-2.6 -1,-0.3 1,-0.2 20,-0.1 0.590 96.1 159.4 61.5 15.6 11.8 16.5 49.4 58 50 A A < - 0 0 1 -3,-2.0 21,-2.8 18,-0.2 2,-0.8 -0.339 43.0-129.6 -64.1 144.6 13.3 16.7 45.9 59 51 A N B +lm 39 79D 42 -21,-3.3 -19,-3.0 19,-0.2 -18,-0.1 -0.895 43.3 153.6 -94.2 106.3 16.7 18.4 45.5 60 52 A L > + 0 0 0 19,-2.3 3,-2.1 -2,-0.8 -1,-0.1 -0.066 18.6 153.3-115.7 25.2 16.1 20.9 42.6 61 53 A S T 3 S+ 0 0 5 1,-0.3 -19,-1.7 22,-0.1 21,-0.2 -0.383 74.5 0.1 -62.8 130.7 18.8 23.2 43.8 62 54 A R T 3 S+ 0 0 128 19,-2.3 -1,-0.3 1,-0.2 2,-0.2 0.616 94.0 152.5 63.4 17.3 20.3 25.2 40.8 63 55 A A < - 0 0 0 -3,-2.1 21,-2.2 18,-0.2 2,-1.1 -0.566 49.8-127.1 -73.7 137.0 17.9 23.4 38.4 64 56 A D B +fg 44 84B 47 -21,-1.7 -19,-2.9 -2,-0.2 21,-0.1 -0.756 42.0 160.2 -82.0 96.4 17.0 25.4 35.3 65 57 A L > + 0 0 0 19,-1.6 3,-2.2 -2,-1.1 -1,-0.1 0.057 17.2 151.1-102.2 24.4 13.2 25.2 35.4 66 58 A S T 3 S+ 0 0 12 1,-0.3 -19,-2.1 22,-0.1 21,-0.2 -0.346 75.0 0.7 -63.6 130.7 12.7 28.2 33.1 67 59 A G T 3 S+ 0 0 25 19,-2.1 -1,-0.3 1,-0.2 21,-0.1 0.588 99.2 140.9 68.0 12.2 9.4 27.8 31.2 68 60 A A < - 0 0 0 -3,-2.2 21,-2.3 18,-0.3 2,-0.5 -0.497 49.7-129.8 -84.1 153.1 8.6 24.5 32.9 69 61 A T B +cd 49 89A 34 -21,-2.4 -19,-3.2 19,-0.2 -18,-0.2 -0.925 32.5 164.3-106.0 132.2 5.1 23.7 34.0 70 62 A L > + 0 0 0 19,-2.7 3,-2.5 -2,-0.5 -18,-0.2 -0.036 14.6 167.4-133.2 26.8 4.6 22.5 37.5 71 63 A N T 3 S- 0 0 49 1,-0.3 -19,-2.6 -20,-0.1 21,-0.2 -0.237 76.8 -7.9 -50.9 123.3 0.8 23.0 37.9 72 64 A G T 3 S+ 0 0 23 19,-1.8 -1,-0.3 -21,-0.2 21,-0.2 0.600 93.4 159.7 63.8 13.9 -0.4 21.2 41.0 73 65 A A < - 0 0 0 -3,-2.5 21,-2.1 18,-0.2 2,-0.9 -0.358 44.8-124.1 -67.9 148.0 3.1 19.6 41.6 74 66 A D B +jk 54 94C 25 -21,-3.0 -19,-2.3 19,-0.2 21,-0.1 -0.831 41.6 161.7 -97.2 99.5 3.8 18.5 45.2 75 67 A L > + 0 0 0 19,-1.7 3,-2.0 -2,-0.9 2,-0.2 -0.083 13.7 155.0-111.0 29.8 7.0 20.3 46.2 76 68 A R T 3 S- 0 0 103 1,-0.3 -19,-2.6 22,-0.1 21,-0.2 -0.410 77.6 -1.6 -61.8 125.4 6.7 19.9 49.9 77 69 A G T 3 S+ 0 0 26 19,-1.4 -1,-0.3 1,-0.2 21,-0.2 0.569 97.5 151.2 71.2 8.8 10.1 20.1 51.5 78 70 A A < - 0 0 0 -3,-2.0 21,-2.6 18,-0.2 2,-0.9 -0.462 47.4-128.5 -77.1 143.6 11.7 20.5 48.0 79 71 A N B +mn 59 99D 40 -21,-2.8 -19,-2.3 19,-0.2 21,-0.1 -0.838 37.6 161.6 -97.5 106.9 15.0 22.5 47.7 80 72 A L > + 0 0 0 19,-2.1 3,-1.9 -2,-0.9 -1,-0.1 0.061 21.0 149.7-108.1 21.0 14.5 25.1 45.0 81 73 A S T 3 S- 0 0 14 1,-0.3 -19,-2.3 22,-0.1 21,-0.2 -0.297 75.6 -4.7 -66.8 134.9 17.4 27.3 46.1 82 74 A K T 3 S+ 0 0 89 19,-1.8 -1,-0.3 1,-0.2 21,-0.2 0.575 97.7 146.1 57.5 11.2 19.1 29.2 43.3 83 75 A A < - 0 0 0 -3,-1.9 21,-3.1 18,-0.3 2,-0.8 -0.469 54.0-117.7 -72.0 149.4 16.8 27.4 40.8 84 76 A D B +gh 64 104B 50 -21,-2.2 -19,-1.6 19,-0.2 21,-0.1 -0.801 37.7 167.7 -91.4 111.9 15.7 29.4 37.7 85 77 A L > + 0 0 7 19,-2.4 3,-2.2 -2,-0.8 21,-0.3 0.149 22.1 146.8-107.7 18.2 11.9 29.8 37.8 86 78 A S T 3 S- 0 0 20 1,-0.3 -19,-2.1 19,-0.2 -18,-0.3 -0.337 80.8 -3.4 -55.1 128.2 11.9 32.3 35.0 87 79 A D T 3 S+ 0 0 106 -21,-0.2 -1,-0.3 1,-0.2 2,-0.1 0.503 99.7 145.5 67.0 5.4 8.6 31.8 33.0 88 80 A A < - 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