==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 19-SEP-07 2JVE . COMPND 2 MOLECULE: PROD 1; . SOURCE 2 ORGANISM_SCIENTIFIC: NOTOPHTHALMUS VIRIDESCENS; . AUTHOR A.GARZA-GARCIA,R.HARRIS,D.ESPOSITO,P.C.DRISCOLL . 71 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4532.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 44 62.0 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 25.4 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 . 1 1.4 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 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.4 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 1 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 . 0 0 0 1 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 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 18 A M 0 0 193 0, 0.0 18,-0.1 0, 0.0 17,-0.0 0.000 360.0 360.0 360.0 83.7 -14.7 0.7 -9.6 2 19 A A - 0 0 35 1,-0.1 2,-0.4 15,-0.1 17,-0.2 0.909 360.0-135.8 67.4 107.8 -13.3 1.5 -6.2 3 20 A L E -A 18 0A 30 15,-1.1 15,-3.0 16,-0.3 2,-0.7 -0.751 12.5-149.3 -91.0 138.6 -10.3 -0.5 -4.9 4 21 A K E +A 17 0A 79 -2,-0.4 61,-2.2 13,-0.3 2,-0.3 -0.848 33.2 146.5-115.0 98.6 -10.5 -1.6 -1.3 5 22 A a E -A 16 0A 0 11,-1.5 11,-2.6 -2,-0.7 2,-0.2 -0.822 52.7 -83.7-123.1 166.0 -7.2 -1.9 0.5 6 23 A F E -A 15 0A 31 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.485 35.3-168.0 -72.0 131.6 -6.1 -1.3 4.1 7 24 A T E -A 14 0A 46 7,-2.2 7,-0.8 -2,-0.2 2,-0.7 -0.993 12.7-147.1-116.8 128.0 -5.3 2.2 5.1 8 25 A R - 0 0 45 28,-1.7 2,-1.0 -2,-0.5 28,-0.2 -0.832 14.2-174.7-101.5 110.1 -3.5 2.5 8.5 9 26 A N S S- 0 0 145 -2,-0.7 2,-1.0 3,-0.0 3,-0.5 -0.756 80.4 -37.0-100.7 85.8 -4.3 5.6 10.5 10 27 A G S S- 0 0 70 -2,-1.0 -2,-0.1 1,-0.2 0, 0.0 -0.777 126.1 -30.7 100.4 -89.9 -1.9 5.1 13.3 11 28 A D S S+ 0 0 107 -2,-1.0 -1,-0.2 22,-0.1 -3,-0.1 0.318 105.1 113.1-144.9 0.6 -2.0 1.4 13.9 12 29 A D - 0 0 57 -3,-0.5 2,-0.5 1,-0.0 -2,-0.1 -0.210 57.4-136.9 -75.7 165.5 -5.5 0.3 12.9 13 30 A R + 0 0 119 -5,-0.1 2,-0.4 -4,-0.1 -5,-0.1 -0.932 31.6 166.2-126.4 111.8 -6.3 -1.9 9.9 14 31 A T E -A 7 0A 69 -7,-0.8 -7,-2.2 -2,-0.5 2,-0.9 -0.978 38.1-125.6-130.9 133.4 -9.3 -0.7 7.9 15 32 A V E -A 6 0A 74 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.665 37.6-174.8 -73.9 106.5 -10.6 -1.6 4.5 16 33 A T E -A 5 0A 46 -11,-2.6 -11,-1.5 -2,-0.9 2,-0.7 -0.826 20.6-136.6-106.5 148.2 -10.8 1.6 2.7 17 34 A T E -A 4 0A 94 -2,-0.3 -13,-0.3 -13,-0.2 2,-0.2 -0.898 23.4-166.9-107.3 112.5 -12.3 2.1 -0.8 18 35 A b E -A 3 0A 15 -15,-3.0 -15,-1.1 -2,-0.7 21,-0.0 -0.489 24.5 -95.9 -95.1 166.1 -10.2 4.4 -3.0 19 36 A A - 0 0 52 -17,-0.2 3,-0.4 -2,-0.2 -16,-0.3 -0.141 43.1 -92.1 -76.3 174.8 -11.2 6.0 -6.3 20 37 A E S > S+ 0 0 105 1,-0.2 3,-0.7 2,-0.1 -1,-0.1 0.772 123.8 64.4 -59.1 -28.3 -10.4 4.7 -9.8 21 38 A E T 3 S+ 0 0 110 1,-0.3 2,-1.8 19,-0.1 20,-0.8 0.978 100.0 48.7 -54.9 -56.8 -7.3 6.9 -9.7 22 39 A Q T 3 + 0 0 50 -3,-0.4 17,-0.5 18,-0.2 -1,-0.3 -0.272 68.7 148.2 -87.0 53.6 -5.7 4.9 -6.9 23 40 A T < + 0 0 31 -2,-1.8 2,-0.2 -3,-0.7 -1,-0.2 0.463 56.9 65.4 -73.7 -0.4 -6.3 1.5 -8.5 24 41 A R E S-B 39 0B 68 15,-1.3 15,-2.4 -3,-0.2 2,-0.4 -0.642 77.9-129.0-110.7 178.8 -3.2 0.1 -6.8 25 42 A a E -BC 38 61B 0 36,-0.8 36,-0.6 13,-0.3 2,-0.5 -0.993 11.5-137.9-135.7 131.9 -2.3 -0.5 -3.2 26 43 A L E +BC 37 60B 8 11,-3.3 11,-1.7 -2,-0.4 2,-0.3 -0.746 25.7 167.3 -93.1 128.7 0.8 0.6 -1.3 27 44 A F E -BC 36 59B 0 32,-1.8 32,-2.6 -2,-0.5 2,-0.4 -0.926 7.4-177.7-140.2 117.3 2.5 -1.7 1.1 28 45 A V E -BC 35 58B 7 7,-1.3 7,-2.4 -2,-0.3 30,-0.3 -0.937 25.6-123.8-115.1 136.0 5.9 -1.1 2.5 29 46 A Q E -B 34 0B 35 28,-3.7 5,-0.2 -2,-0.4 4,-0.0 -0.551 29.2-175.0 -74.2 139.7 7.8 -3.4 4.9 30 47 A L - 0 0 48 3,-0.9 26,-0.0 -2,-0.2 -2,-0.0 -0.982 34.5-129.2-132.2 147.9 8.9 -2.0 8.2 31 48 A P S S+ 0 0 98 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.330 111.4 19.9 -72.8 9.0 11.1 -3.6 10.9 32 49 A Y S S- 0 0 193 1,-0.4 2,-0.1 0, 0.0 -2,-0.0 0.479 134.0 -5.7-139.0 -59.4 8.3 -2.6 13.4 33 50 A S S S- 0 0 60 -4,-0.0 -3,-0.9 0, 0.0 -1,-0.4 -0.229 71.7-108.6-121.6-150.1 5.0 -1.9 11.6 34 51 A E E -B 29 0B 28 -5,-0.2 2,-0.5 -2,-0.1 -5,-0.2 -0.992 16.8-121.2-151.2 147.8 3.9 -1.7 8.0 35 52 A I E +B 28 0B 68 -7,-2.4 -7,-1.3 -2,-0.3 2,-0.4 -0.807 34.7 175.5 -91.4 129.4 2.8 1.0 5.5 36 53 A Q E +B 27 0B 8 -2,-0.5 -28,-1.7 -9,-0.2 2,-0.3 -0.992 15.2 119.0-139.1 130.2 -0.7 0.5 4.1 37 54 A E E -B 26 0B 58 -11,-1.7 -11,-3.3 -2,-0.4 2,-0.3 -0.967 57.5 -93.3-173.6 160.6 -2.7 2.8 1.8 38 55 A b E +B 25 0B 6 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.3 -0.647 45.6 178.4 -79.3 147.3 -4.4 3.1 -1.6 39 56 A K E -B 24 0B 39 -15,-2.4 -15,-1.3 -17,-0.5 -2,-0.0 -0.949 33.3-104.0-157.0 132.5 -2.2 4.6 -4.3 40 57 A T > - 0 0 47 -2,-0.3 4,-4.0 -18,-0.2 5,-0.4 -0.218 40.9-110.6 -54.3 143.2 -2.6 5.4 -8.0 41 58 A V H > S+ 0 0 66 -20,-0.8 4,-1.7 1,-0.2 5,-0.1 0.900 117.0 35.0 -44.8 -61.5 -0.9 2.9 -10.3 42 59 A Q H > S+ 0 0 145 2,-0.2 4,-2.6 1,-0.2 3,-0.2 0.949 119.2 51.6 -57.5 -52.4 1.8 5.3 -11.5 43 60 A Q H > S+ 0 0 83 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.906 110.0 48.1 -54.6 -47.5 2.0 7.1 -8.1 44 61 A c H X S+ 0 0 0 -4,-4.0 4,-1.3 1,-0.2 -1,-0.3 0.836 111.6 51.4 -65.9 -32.8 2.5 3.8 -6.2 45 62 A A H X S+ 0 0 61 -4,-1.7 4,-1.5 -5,-0.4 -1,-0.2 0.907 113.6 43.6 -67.4 -41.4 5.2 2.8 -8.7 46 63 A E H X S+ 0 0 89 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.894 116.3 46.1 -74.5 -38.1 7.0 6.0 -8.3 47 64 A V H X S+ 0 0 15 -4,-3.1 4,-1.9 -5,-0.2 5,-0.3 0.745 104.6 65.2 -72.2 -26.3 6.7 6.0 -4.5 48 65 A L H X S+ 0 0 33 -4,-1.3 4,-2.5 -5,-0.3 -2,-0.2 0.955 105.8 42.7 -56.0 -47.6 7.7 2.4 -4.7 49 66 A E H X S+ 0 0 150 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.875 108.2 57.4 -72.7 -36.6 11.1 3.5 -5.9 50 67 A E H < S+ 0 0 113 -4,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.930 117.9 34.0 -59.6 -43.7 11.5 6.4 -3.5 51 68 A V H >X>S+ 0 0 25 -4,-1.9 5,-2.1 1,-0.2 4,-0.9 0.848 116.9 54.0 -79.2 -34.4 11.1 4.1 -0.5 52 69 A T H 3<5S+ 0 0 64 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.685 102.5 58.4 -78.4 -15.7 12.8 1.1 -2.1 53 70 A A T 3<5S+ 0 0 83 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.691 103.1 54.7 -80.6 -19.6 15.8 3.3 -2.9 54 71 A I T <45S- 0 0 117 -3,-0.7 -2,-0.2 -4,-0.4 -1,-0.2 0.757 127.8 -99.5 -81.0 -27.1 16.0 3.9 0.9 55 72 A G T <5S+ 0 0 57 -4,-0.9 -3,-0.2 1,-0.3 -2,-0.1 0.433 82.8 127.9 119.8 4.2 16.1 0.2 1.6 56 73 A Y < - 0 0 91 -5,-2.1 -1,-0.3 -26,-0.0 -2,-0.2 -0.846 56.8-131.2 -97.8 112.4 12.5 -0.3 2.5 57 74 A P + 0 0 72 0, 0.0 -28,-3.7 0, 0.0 2,-0.3 -0.348 35.1 173.6 -58.3 135.0 10.8 -3.2 0.5 58 75 A A E -C 28 0B 21 -30,-0.3 2,-0.3 -2,-0.1 -30,-0.3 -0.958 18.6-162.0-143.3 160.9 7.5 -2.2 -1.0 59 76 A K E -C 27 0B 67 -32,-2.6 -32,-1.8 -2,-0.3 2,-0.3 -0.996 10.2-165.8-142.2 147.6 4.8 -3.6 -3.3 60 77 A c E +C 26 0B 35 -2,-0.3 2,-0.2 -34,-0.2 -34,-0.2 -0.780 31.0 162.2-130.2 87.1 1.9 -2.1 -5.2 61 78 A d E -C 25 0B 38 -36,-0.6 -36,-0.8 -2,-0.3 2,-0.7 -0.551 38.5-114.5-106.9 171.0 -0.3 -5.0 -6.3 62 79 A C + 0 0 80 -2,-0.2 2,-0.2 -38,-0.1 -38,-0.1 -0.896 67.8 85.4-115.3 107.1 -3.9 -5.2 -7.5 63 80 A E S > S- 0 0 92 -2,-0.7 3,-1.7 0, 0.0 4,-0.2 -0.856 82.9 -78.5 177.6 153.2 -6.4 -7.0 -5.3 64 81 A D T 3 S+ 0 0 57 1,-0.3 -59,-0.3 -2,-0.2 -2,-0.0 -0.517 120.4 2.6 -64.4 137.3 -8.6 -6.0 -2.4 65 82 A L T 3 S+ 0 0 47 -61,-2.2 -1,-0.3 -2,-0.2 -60,-0.2 0.636 90.6 142.3 65.0 15.8 -6.6 -6.0 0.8 66 83 A d < + 0 0 17 -3,-1.7 2,-2.3 -62,-0.2 -2,-0.1 0.732 40.0 94.3 -64.8 -23.4 -3.6 -6.8 -1.5 67 84 A N S S+ 0 0 0 -4,-0.2 2,-0.3 -6,-0.1 -1,-0.2 -0.468 71.7 86.9 -73.5 81.3 -1.4 -4.5 0.6 68 85 A R + 0 0 87 -2,-2.3 -41,-0.1 -41,-0.1 -32,-0.0 -0.960 35.2 161.4-165.1 163.4 -0.1 -7.3 2.8 69 86 A S S S+ 0 0 57 -2,-0.3 2,-0.5 0, 0.0 -1,-0.0 0.196 73.4 52.3-154.0 -60.8 2.6 -10.0 2.9 70 87 A E 0 0 127 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.021 360.0 360.0 -83.6 33.9 3.4 -11.6 6.3 71 88 A Q 0 0 169 -2,-0.5 -3,-0.0 0, 0.0 0, 0.0 -0.655 360.0 360.0 -80.9 360.0 -0.2 -12.4 6.9