==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 17-MAY-05 1X5V . COMPND 2 MOLECULE: PCFK1; . SOURCE 2 ORGANISM_SCIENTIFIC: PSALMOPOEUS CAMBRIDGEI; . AUTHOR C.PIMENTEL,S.J.CHOI,B.CHAGOT,C.GUETTE,J.M.CAMADRO,H.DARBON . 34 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2743.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 21 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 23.5 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 2.9 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 . 1 2.9 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 . 6 17.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 14.7 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 . 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 1 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 . 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 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 A 0 0 155 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 74.0 0.6 1.9 -11.7 2 2 A a - 0 0 63 1,-0.1 16,-0.3 16,-0.1 17,-0.2 -0.573 360.0 -91.7 -80.1 137.6 -0.3 3.0 -8.2 3 3 A G B -a 18 0A 1 14,-2.7 16,-2.4 -2,-0.3 2,-0.2 -0.272 51.3-154.0 -52.2 128.3 -0.1 0.3 -5.6 4 4 A I > - 0 0 62 14,-0.2 3,-2.9 -3,-0.1 25,-0.4 -0.507 34.2 -80.3-110.2 176.2 -3.4 -1.5 -5.3 5 5 A L T 3 S+ 0 0 86 1,-0.3 26,-0.5 -2,-0.2 -2,-0.1 0.604 131.2 24.8 -55.3 -11.9 -5.3 -3.4 -2.6 6 6 A H T 3 S+ 0 0 130 24,-0.1 2,-0.6 2,-0.1 -1,-0.3 -0.114 89.1 125.5-147.9 41.2 -3.2 -6.5 -3.3 7 7 A D < - 0 0 68 -3,-2.9 22,-2.9 22,-0.5 20,-0.1 -0.896 68.1-110.5-107.2 121.5 0.0 -5.1 -4.8 8 8 A N E +B 28 0B 128 -2,-0.6 20,-0.4 20,-0.3 2,-0.3 -0.196 58.6 142.9 -54.0 128.2 3.1 -6.2 -3.0 9 9 A b E -B 27 0B 19 18,-0.6 18,-3.4 16,-0.4 2,-0.3 -0.968 43.4-117.7-160.6 169.5 4.6 -3.3 -1.1 10 10 A V - 0 0 76 -2,-0.3 2,-2.8 16,-0.2 14,-0.2 -0.881 43.1 -93.9-121.2 154.0 6.4 -2.1 2.0 11 11 A Y S S+ 0 0 107 -2,-0.3 3,-0.1 1,-0.1 14,-0.1 -0.316 72.8 132.1 -73.3 76.9 5.3 0.3 4.6 12 12 A V > + 0 0 67 -2,-2.8 3,-1.0 1,-0.1 -1,-0.1 -0.672 17.9 163.6-127.1 79.9 6.8 3.5 3.2 13 13 A P G > + 0 0 57 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.860 66.4 76.2 -65.7 -31.0 4.1 6.1 3.3 14 14 A A G 3 S+ 0 0 101 1,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.847 114.6 21.7 -52.6 -32.4 6.5 8.9 2.8 15 15 A Q G < S- 0 0 153 -3,-1.0 -1,-0.3 0, 0.0 -3,-0.1 -0.399 90.2-171.9-135.0 55.1 6.7 7.8 -0.8 16 16 A N < - 0 0 33 -3,-2.2 4,-0.1 1,-0.2 -5,-0.1 -0.277 11.0-171.9 -55.5 115.9 3.4 6.0 -1.1 17 17 A P + 0 0 63 0, 0.0 -14,-2.7 0, 0.0 -1,-0.2 0.506 55.9 99.4 -86.8 -4.0 3.3 4.3 -4.5 18 18 A c B S-a 3 0A 12 -16,-0.3 2,-0.3 4,-0.2 -14,-0.2 -0.234 87.6 -86.3 -86.6 167.0 -0.3 3.4 -4.0 19 19 A a > - 0 0 33 -16,-2.4 3,-3.1 -17,-0.2 2,-0.2 -0.561 61.5 -91.0 -72.7 131.1 -3.5 4.8 -5.1 20 20 A R T 3 S+ 0 0 214 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 -0.178 121.2 40.0 -54.0 108.4 -4.6 7.5 -2.7 21 21 A G T 3 S+ 0 0 32 1,-0.5 11,-0.9 -2,-0.2 2,-0.3 0.144 99.5 89.8 132.8 -17.5 -6.7 5.6 -0.3 22 22 A L E < -C 31 0B 26 -3,-3.1 -1,-0.5 9,-0.2 2,-0.4 -0.813 58.2-158.1-110.4 148.4 -4.5 2.6 -0.1 23 23 A Q E -C 30 0B 74 7,-3.3 7,-3.1 -2,-0.3 2,-0.2 -0.968 19.8-117.0-135.9 128.4 -1.6 2.1 2.3 24 24 A b E -C 29 0B 3 -2,-0.4 2,-0.4 5,-0.3 5,-0.3 -0.355 26.2-169.1 -67.5 126.1 1.3 -0.2 2.1 25 25 A R E > -C 28 0B 138 3,-3.0 2,-1.3 -2,-0.2 3,-0.8 -0.879 47.5 -82.5-108.5 149.0 1.7 -2.9 4.6 26 26 A Y T 3 S+ 0 0 140 -2,-0.4 -16,-0.2 1,-0.3 3,-0.1 -0.228 125.6 15.7 -55.6 90.2 4.9 -4.9 4.9 27 27 A G E 3 S+B 9 0B 45 -18,-3.4 -18,-0.6 -2,-1.3 2,-0.3 -0.297 132.6 14.5 139.1 -51.0 4.1 -7.3 2.1 28 28 A K E < S-BC 8 25B 106 -3,-0.8 -3,-3.0 -20,-0.4 2,-0.8 -0.988 77.5 -98.7-155.1 154.1 1.2 -5.6 0.3 29 29 A c E - C 0 24B 0 -22,-2.9 -22,-0.5 -25,-0.4 2,-0.3 -0.636 44.5-141.8 -79.9 114.0 -0.6 -2.4 -0.2 30 30 A L E - C 0 23B 74 -7,-3.1 -7,-3.3 -2,-0.8 2,-1.1 -0.547 12.0-122.2 -83.8 136.5 -3.7 -2.6 2.0 31 31 A V E - C 0 22B 56 -26,-0.5 2,-3.7 -2,-0.3 -9,-0.2 -0.634 26.8-138.6 -75.8 105.2 -6.9 -1.1 0.9 32 32 A Q + 0 0 126 -2,-1.1 2,-0.4 -11,-0.9 -1,-0.1 -0.249 59.6 123.2 -74.3 66.6 -7.5 1.2 3.8 33 33 A V 0 0 111 -2,-3.7 -2,-0.1 1,-0.0 -12,-0.0 -0.937 360.0 360.0-123.7 149.9 -11.2 0.4 4.0 34 34 A X 0 0 184 -2,-0.4 -2,-0.0 0, 0.0 -3,-0.0 -0.475 360.0 360.0-148.1 360.0 -13.2 -0.8 7.1