==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 08-APR-94 1TER . COMPND 2 MOLECULE: TERTIAPIN; . SOURCE 2 ORGANISM_SCIENTIFIC: APIS MELLIFERA; . AUTHOR X.XU,J.W.NELSON . 21 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1941.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 12 57.1 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 . 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 . 3 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 4.8 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 1 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 . 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 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 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 0 140 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-163.6 6.5 5.1 -9.2 2 2 A L - 0 0 158 1,-0.1 2,-0.9 9,-0.0 0, 0.0 -0.315 360.0 -27.4-124.4 179.6 3.6 2.7 -8.6 3 3 A a - 0 0 83 1,-0.1 2,-1.8 -2,-0.1 3,-0.2 -0.210 42.2-177.4 -58.1 104.3 2.3 0.3 -6.0 4 4 A N > + 0 0 61 -2,-0.9 3,-1.0 1,-0.2 -1,-0.1 -0.523 9.3 171.6 -76.9 93.8 4.9 -1.2 -3.7 5 5 A b T 3 S+ 0 0 70 -2,-1.8 -1,-0.2 1,-0.2 5,-0.1 0.754 86.6 61.4 -73.5 12.7 2.7 -3.5 -1.7 6 6 A N T 3 S+ 0 0 120 -3,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.662 92.3 66.0-124.1 -2.3 6.2 -4.3 -0.7 7 7 A R S < S- 0 0 121 -3,-1.0 3,-0.1 1,-0.1 0, 0.0 -0.688 74.4-156.1-110.0 138.2 7.0 -0.9 0.6 8 8 A I S S+ 0 0 113 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.316 82.1 75.0-121.7 25.2 4.9 -0.3 3.7 9 9 A I S S- 0 0 136 -5,-0.1 -1,-0.2 12,-0.1 -5,-0.1 -0.802 91.1-164.5-106.7 66.6 4.7 3.5 3.9 10 10 A I - 0 0 9 -2,-0.7 2,-0.2 -3,-0.1 -2,-0.1 -0.164 29.7-109.2 -55.6 142.0 2.3 2.8 1.0 11 11 A P > - 0 0 67 0, 0.0 4,-1.6 0, 0.0 10,-0.2 -0.471 49.1-115.8 -60.6 151.1 1.1 5.4 -1.5 12 12 A H H > S+ 0 0 88 2,-0.3 4,-2.4 1,-0.2 8,-0.2 0.901 114.1 46.7-111.5 -5.6 -2.4 5.4 -0.2 13 13 A M H > S+ 0 0 127 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.988 115.6 51.7 -71.7 -44.4 -4.4 4.1 -3.0 14 14 A a H > S+ 0 0 13 3,-0.2 4,-3.7 1,-0.2 -2,-0.3 0.916 108.6 54.4 -57.9 -24.8 -1.5 1.6 -2.9 15 15 A W H X>S+ 0 0 52 -4,-1.6 4,-2.4 5,-0.2 5,-1.6 0.976 106.1 45.8 -75.0 -61.8 -2.5 1.3 0.8 16 16 A K H >X5S+ 0 0 116 -4,-2.4 4,-1.3 4,-0.3 3,-0.7 0.866 121.0 42.4 -61.3 -9.5 -6.1 0.5 0.4 17 17 A K H 3<5S+ 0 0 166 -4,-2.3 -2,-0.2 1,-0.4 -1,-0.2 0.658 98.4 62.9-131.3 -0.7 -5.3 -2.0 -2.3 18 18 A b H 3<5S- 0 0 32 -4,-3.7 -1,-0.4 -5,-0.3 -2,-0.2 0.984 127.7-109.5 -51.2 -30.7 -2.3 -3.7 -0.8 19 19 A G H <<5S+ 0 0 61 -4,-2.4 -2,-0.3 -3,-0.7 -3,-0.2 0.553 92.6 30.1 96.2 44.9 -5.3 -4.2 1.3 20 20 A K << 0 0 101 -5,-1.6 -4,-0.3 -4,-1.3 -5,-0.2 0.369 360.0 360.0-169.2-128.0 -3.5 -2.0 3.5 21 21 A K 0 0 107 -6,-0.6 -13,-0.1 -7,-0.3 -12,-0.1 0.801 360.0 360.0 80.0 360.0 -1.1 0.8 4.1