==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 17-NOV-06 2NX6 . COMPND 2 MOLECULE: NEMATOCYST OUTER WALL ANTIGEN; . SOURCE 2 ORGANISM_SCIENTIFIC: HYDRA VULGARIS; . AUTHOR S.MEIER,P.R.JENSEN,P.ADAMCZYK,H.P.BACHINGER,T.W.HOLSTEIN, . 27 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2142.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 11 40.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 18.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 7.4 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 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 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 G 0 0 139 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -49.5 -2.5 -13.4 -2.8 2 2 A S + 0 0 112 1,-0.1 8,-0.1 2,-0.0 0, 0.0 -0.549 360.0 48.9-101.0 168.1 -2.2 -9.8 -3.9 3 3 A S - 0 0 42 -2,-0.2 -1,-0.1 8,-0.1 9,-0.1 0.925 56.8-153.3 67.2 96.8 -1.5 -6.6 -1.9 4 4 A S S S+ 0 0 107 7,-0.2 -1,-0.1 1,-0.0 -2,-0.0 0.639 83.4 67.6 -73.9 -13.0 1.6 -7.2 0.4 5 5 A a S > S- 0 0 0 3,-0.4 3,-0.5 6,-0.1 6,-0.2 -0.937 70.3-157.0-111.7 123.2 0.1 -4.6 2.7 6 6 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.633 87.0 67.1 -74.6 -14.8 -3.2 -5.5 4.5 7 7 A Q T 3 S+ 0 0 122 1,-0.3 -4,-0.0 2,-0.0 13,-0.0 0.801 114.2 22.7 -74.0 -31.6 -4.2 -1.9 5.1 8 8 A F X - 0 0 38 -3,-0.5 3,-0.7 1,-0.1 -3,-0.4 -0.976 58.7-164.4-140.4 123.1 -4.8 -1.2 1.5 9 9 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -6,-0.0 0.584 92.8 52.4 -82.3 -9.9 -5.5 -3.9 -1.3 10 10 A S T 3 S+ 0 0 103 -7,-0.1 2,-0.4 -8,-0.1 -7,-0.0 0.201 72.1 141.0-107.4 11.0 -4.7 -1.5 -4.1 11 11 A b < - 0 0 12 -3,-0.7 -7,-0.2 -6,-0.2 -8,-0.1 -0.432 55.2-123.4 -62.2 114.7 -1.2 -0.3 -2.9 12 12 A S >> - 0 0 53 -2,-0.4 3,-1.4 12,-0.2 4,-0.5 -0.219 23.8-111.9 -53.5 143.8 1.0 -0.0 -6.0 13 13 A P G >4 S+ 0 0 118 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.837 122.0 58.9 -48.7 -28.9 4.2 -2.2 -5.6 14 14 A S G 34 S+ 0 0 94 1,-0.3 4,-0.2 3,-0.1 10,-0.1 0.877 104.9 45.8 -68.5 -38.2 5.9 1.2 -5.4 15 15 A c G <>>S+ 0 0 9 -3,-1.4 4,-0.6 8,-0.1 5,-0.6 0.311 104.0 131.4 -86.9 8.9 3.9 2.3 -2.4 16 16 A A T <<5 + 0 0 26 -3,-1.0 -13,-0.0 -4,-0.5 -11,-0.0 -0.876 57.3 4.4-122.7 155.3 4.5 -1.0 -0.7 17 17 A P T 45S+ 0 0 95 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.922 104.9 84.6 -94.2 21.7 5.3 -2.4 1.7 18 18 A Q T 45S- 0 0 118 -4,-0.2 -2,-0.2 1,-0.1 -3,-0.1 0.814 82.9-150.9 -46.2 -27.3 5.6 0.9 3.6 19 19 A a T <5 + 0 0 40 -4,-0.6 2,-0.5 1,-0.2 -3,-0.1 0.885 39.6 145.4 56.7 47.4 1.9 0.2 4.0 20 20 A S >>< - 0 0 32 -5,-0.6 4,-2.2 1,-0.1 3,-0.7 -0.959 51.7-142.0-119.6 129.3 0.8 3.9 4.2 21 21 A Q H 3>>S+ 0 0 83 -2,-0.5 4,-2.8 1,-0.2 5,-1.4 0.792 96.7 71.6 -52.3 -32.4 -2.6 5.2 2.8 22 22 A Q H 345S+ 0 0 123 3,-0.2 -1,-0.2 2,-0.2 -7,-0.0 0.940 112.2 22.3 -52.3 -56.0 -0.7 8.3 1.7 23 23 A c H <45S+ 0 0 60 -3,-0.7 -2,-0.2 -8,-0.2 -11,-0.2 0.917 128.6 46.5 -79.9 -47.2 1.2 6.7 -1.1 24 24 A b H <5S+ 0 0 18 -4,-2.2 -12,-0.2 -9,-0.3 -3,-0.2 0.841 132.5 16.7 -64.5 -35.3 -1.1 3.7 -1.7 25 25 A Q T <5S- 0 0 118 -4,-2.8 -3,-0.2 -5,-0.4 -2,-0.1 0.851 120.1 -52.4-102.0 -72.7 -4.2 5.8 -1.7 26 26 A Q < 0 0 127 -5,-1.4 -1,-0.3 1,-0.1 -2,-0.1 -0.977 360.0 360.0-163.9 168.3 -3.6 9.6 -2.1 27 27 A P 0 0 148 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.165 360.0 360.0 -64.7 360.0 -1.7 12.6 -0.8