==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 25-AUG-09 2KNI . COMPND 2 MOLECULE: PSALMOTOXIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: PSALMOPOEUS CAMBRIDGEI; . AUTHOR G.F.KING,M.MOBLI,N.J.SAEZ . 41 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4089.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 18 43.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 12.2 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 2.4 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 . 5 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 7.3 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 . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 S 0 0 179 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 36.6 2.1 0.0 -1.2 2 2 A E - 0 0 154 2,-0.1 2,-1.0 17,-0.0 17,-0.0 -0.768 360.0-124.3-111.2 157.3 0.6 -3.3 -2.5 3 3 A D S S+ 0 0 152 -2,-0.3 2,-0.3 2,-0.1 0, 0.0 -0.739 72.5 82.4-102.7 85.5 -1.2 -4.1 -5.7 4 4 A a S S- 0 0 48 -2,-1.0 14,-0.2 15,-0.1 -2,-0.1 -0.952 79.6 -91.0-175.1 157.9 -4.5 -5.5 -4.7 5 5 A I B -a 18 0A 20 12,-2.7 14,-2.4 -2,-0.3 3,-0.1 -0.683 41.6-140.7 -84.7 126.6 -8.1 -4.6 -3.6 6 6 A P - 0 0 55 0, 0.0 2,-0.5 0, 0.0 3,-0.5 0.124 44.5 -55.7 -69.8-170.2 -8.6 -4.3 0.2 7 7 A K S S- 0 0 105 1,-0.2 28,-0.2 2,-0.1 15,-0.0 -0.618 120.1 -6.3 -76.5 119.2 -11.6 -5.4 2.2 8 8 A W S S+ 0 0 148 26,-2.9 -1,-0.2 -2,-0.5 27,-0.1 0.997 88.1 130.8 59.7 73.1 -14.8 -3.8 0.8 9 9 A K S S- 0 0 147 -3,-0.5 -2,-0.1 -4,-0.0 24,-0.1 0.509 72.9 -86.8-126.0 -19.4 -13.4 -1.5 -1.8 10 10 A G - 0 0 21 -4,-0.2 23,-0.3 1,-0.1 3,-0.1 0.357 34.8-169.2 110.6 118.3 -15.5 -2.3 -4.8 11 11 A b + 0 0 0 21,-2.3 22,-0.2 14,-0.2 -1,-0.1 -0.277 36.3 138.1-130.7 47.0 -15.0 -5.0 -7.5 12 12 A V S S+ 0 0 86 20,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.749 97.7 6.8 -63.3 -23.3 -17.6 -4.0 -10.1 13 13 A N S S+ 0 0 141 -3,-0.1 -1,-0.2 19,-0.1 2,-0.1 0.117 124.3 70.5-145.1 19.2 -14.9 -4.8 -12.7 14 14 A R > + 0 0 150 1,-0.1 3,-0.6 -3,-0.1 -2,-0.1 -0.539 44.2 143.7-141.1 71.2 -12.1 -6.3 -10.7 15 15 A H G > S+ 0 0 101 1,-0.2 2,-0.9 2,-0.1 3,-0.8 0.946 78.1 44.7 -74.2 -51.2 -13.1 -9.8 -9.3 16 16 A G G 3 S+ 0 0 77 1,-0.2 -1,-0.2 7,-0.1 7,-0.0 -0.278 98.5 76.5 -90.2 50.0 -9.7 -11.4 -9.6 17 17 A D G < + 0 0 85 -2,-0.9 -12,-2.7 -3,-0.6 -1,-0.2 0.222 61.2 123.0-138.2 8.5 -7.9 -8.4 -8.1 18 18 A c B < -a 5 0A 23 -3,-0.8 4,-0.2 -14,-0.2 3,-0.2 -0.523 69.7 -98.0 -77.9 142.1 -8.7 -8.8 -4.4 19 19 A a > - 0 0 29 -14,-2.4 3,-1.9 -2,-0.2 -1,-0.1 0.015 61.1 -65.3 -51.6 163.9 -5.8 -9.2 -2.0 20 20 A E T 3 S+ 0 0 200 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 -0.330 128.2 23.5 -57.0 124.9 -4.7 -12.6 -0.8 21 21 A G T 3 S+ 0 0 39 1,-0.4 16,-2.5 -3,-0.2 -1,-0.3 0.535 103.9 108.3 94.9 8.4 -7.5 -14.2 1.2 22 22 A L E < -B 36 0B 35 -3,-1.9 -1,-0.4 14,-0.2 2,-0.3 -0.755 46.1-166.4-115.8 163.5 -10.2 -12.0 -0.4 23 23 A E E -B 35 0B 83 12,-3.0 12,-2.3 -2,-0.3 2,-0.2 -0.961 25.9-115.0-153.4 131.5 -13.0 -12.8 -2.9 24 24 A b E -B 34 0B 28 -9,-0.6 2,-0.4 -2,-0.3 10,-0.2 -0.455 35.1-171.7 -67.6 131.3 -15.3 -10.5 -5.0 25 25 A W E -B 33 0B 144 8,-2.0 8,-2.0 -2,-0.2 2,-0.3 -0.991 16.3-135.1-130.5 133.7 -19.0 -10.8 -4.0 26 26 A K - 0 0 137 -2,-0.4 2,-0.3 6,-0.2 5,-0.1 -0.632 21.4-163.5 -87.1 142.8 -22.0 -9.4 -5.7 27 27 A R - 0 0 158 3,-0.6 5,-0.1 -2,-0.3 -2,-0.0 -0.893 23.3-151.2-125.7 155.9 -24.7 -7.6 -3.7 28 28 A R S S+ 0 0 231 -2,-0.3 -1,-0.1 3,-0.1 3,-0.1 0.697 102.8 38.0 -95.2 -24.6 -28.3 -6.6 -4.4 29 29 A R S S+ 0 0 234 1,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.698 127.3 25.9 -96.8 -25.5 -28.4 -3.6 -2.1 30 30 A S S S- 0 0 60 1,-0.0 -3,-0.6 3,-0.0 -1,-0.1 -0.908 91.2 -88.0-136.1 163.3 -24.8 -2.5 -2.8 31 31 A F - 0 0 132 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.1 -0.231 61.8 -75.9 -67.5 159.4 -22.3 -2.7 -5.6 32 32 A E + 0 0 44 -5,-0.1 -21,-2.3 -22,-0.1 -20,-0.4 -0.273 58.3 178.7 -57.7 138.0 -19.9 -5.7 -5.9 33 33 A V E -B 25 0B 21 -8,-2.0 -8,-2.0 -23,-0.3 2,-1.0 -0.996 38.5 -99.4-145.3 148.3 -17.0 -5.5 -3.4 34 34 A c E -B 24 0B 0 -2,-0.3 -26,-2.9 -10,-0.2 -10,-0.3 -0.540 46.9-166.7 -70.2 102.2 -14.0 -7.7 -2.4 35 35 A V E -B 23 0B 28 -12,-2.3 -12,-3.0 -2,-1.0 2,-0.2 -0.617 26.3 -98.1 -92.6 151.7 -15.2 -9.5 0.7 36 36 A P E -B 22 0B 52 0, 0.0 -14,-0.2 0, 0.0 2,-0.1 -0.463 41.0-111.7 -69.8 132.8 -13.0 -11.5 3.1 37 37 A K - 0 0 124 -16,-2.5 -15,-0.0 -2,-0.2 -14,-0.0 -0.400 32.2-127.9 -66.1 137.2 -12.9 -15.2 2.5 38 38 A T - 0 0 114 1,-0.1 -1,-0.1 -2,-0.1 -17,-0.0 -0.447 25.8 -98.4 -85.2 159.7 -14.5 -17.3 5.3 39 39 A P - 0 0 109 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.122 34.7-107.9 -69.8 170.4 -12.8 -20.2 7.1 40 40 A K 0 0 210 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.901 360.0 360.0-108.4 111.5 -13.4 -23.9 6.3 41 41 A T 0 0 185 -2,-0.7 0, 0.0 0, 0.0 0, 0.0 -0.912 360.0 360.0-110.5 360.0 -15.4 -25.8 8.8