==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 11-JUL-06 2HM4 . COMPND 2 MOLECULE: NEMATOCYST OUTER WALL ANTIGEN; . SOURCE 2 ORGANISM_SCIENTIFIC: HYDRA VULGARIS; . AUTHOR S.MEIER,P.R.JENSEN,S.GRZESIEK,S.OEZBEK . 31 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2804.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 8 25.8 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 . 3 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 16.1 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 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 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 0 129 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 177.2 -17.2 10.6 6.0 2 2 A S - 0 0 129 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.677 360.0-161.9-100.2 155.0 -14.8 7.8 7.1 3 3 A Q + 0 0 182 -2,-0.3 3,-0.1 1,-0.1 0, 0.0 -0.988 28.6 147.9-138.1 146.7 -11.7 6.6 5.3 4 4 A I + 0 0 124 -2,-0.3 -1,-0.1 1,-0.0 2,-0.0 0.478 51.8 90.3-142.1 -38.7 -9.6 3.5 5.5 5 5 A T + 0 0 121 12,-0.1 2,-0.3 1,-0.0 -1,-0.0 -0.328 53.5 115.5 -68.6 149.1 -8.3 2.7 2.0 6 6 A G - 0 0 38 8,-0.2 2,-0.4 -3,-0.1 11,-0.1 -0.992 57.7 -57.6 174.8-172.6 -5.0 4.2 0.8 7 7 A T - 0 0 132 -2,-0.3 7,-0.1 11,-0.0 6,-0.1 -0.787 41.8-133.0-100.4 140.0 -1.4 3.8 -0.3 8 8 A a > - 0 0 8 -2,-0.4 4,-0.6 4,-0.2 3,-0.2 -0.379 50.4 -54.2 -81.9 162.2 1.3 2.2 1.7 9 9 A P T >4 S- 0 0 73 0, 0.0 3,-2.7 0, 0.0 -1,-0.1 0.383 92.8 -47.4 -24.1 171.0 4.8 3.6 2.2 10 10 A S T 34 S- 0 0 128 1,-0.3 -2,-0.0 -3,-0.1 0, 0.0 -0.289 131.7 -3.4 -53.4 123.5 6.8 4.7 -0.8 11 11 A G T 34 S+ 0 0 67 -3,-0.2 -1,-0.3 1,-0.2 2,-0.1 0.621 96.6 150.8 71.3 11.0 6.7 1.9 -3.3 12 12 A b << - 0 0 13 -3,-2.7 -1,-0.2 -4,-0.6 -4,-0.2 -0.392 53.7 -95.4 -74.6 157.3 4.7 -0.4 -1.0 13 13 A S > - 0 0 15 11,-0.4 3,-0.7 14,-0.4 7,-0.2 -0.450 23.2-137.9 -71.8 141.7 2.3 -3.0 -2.4 14 14 A G G > S+ 0 0 51 1,-0.2 3,-2.2 2,-0.2 -8,-0.2 0.912 104.8 53.7 -63.8 -45.7 -1.3 -1.9 -2.7 15 15 A D G 3 S+ 0 0 157 1,-0.3 -1,-0.2 9,-0.1 4,-0.2 0.608 94.9 71.5 -68.2 -8.9 -2.6 -5.2 -1.4 16 16 A c G <> S+ 0 0 9 -3,-0.7 4,-3.2 8,-0.1 3,-0.5 0.560 86.1 140.7 -82.1 -6.0 -0.4 -4.7 1.6 17 17 A Y T <4 + 0 0 71 -3,-2.2 -12,-0.1 1,-0.3 -10,-0.0 -0.550 57.7 13.0 -80.4 146.0 -2.8 -2.0 2.6 18 18 A P T 4 S+ 0 0 98 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.950 127.5 56.4 -89.5 10.7 -3.9 -1.2 5.2 19 19 A E T 4 S+ 0 0 158 -3,-0.5 -2,-0.3 -4,-0.2 -3,-0.1 0.938 71.0 178.3 -63.8 -45.7 -1.3 -3.3 6.9 20 20 A a < + 0 0 31 -4,-3.2 -3,-0.1 -7,-0.2 -1,-0.1 0.830 13.5 173.4 43.9 44.4 1.5 -1.4 5.1 21 21 A P > - 0 0 29 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 -0.433 40.8-119.6 -77.1 153.1 4.2 -3.5 6.9 22 22 A P H > S+ 0 0 115 0, 0.0 4,-2.9 0, 0.0 3,-0.4 0.951 111.8 51.2 -57.6 -51.9 7.8 -3.0 5.8 23 23 A G H > S+ 0 0 60 1,-0.3 4,-0.8 2,-0.2 -3,-0.0 0.906 111.9 46.0 -51.6 -48.5 8.3 -6.6 4.8 24 24 A c H 4 S+ 0 0 54 1,-0.2 -11,-0.4 2,-0.2 -1,-0.3 0.778 113.1 53.2 -66.3 -27.6 5.2 -6.6 2.6 25 25 A b H < S+ 0 0 16 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.897 94.6 66.4 -74.8 -43.3 6.4 -3.2 1.2 26 26 A G H < S+ 0 0 71 -4,-2.9 2,-0.4 -5,-0.1 -1,-0.2 0.816 106.1 48.4 -47.9 -34.6 9.8 -4.5 0.2 27 27 A Q < + 0 0 162 -4,-0.8 -14,-0.4 -5,-0.2 2,-0.3 -0.903 65.7 177.4-113.9 139.9 8.1 -6.7 -2.3 28 28 A V + 0 0 70 -2,-0.4 2,-0.2 -16,-0.1 -3,-0.1 -0.936 17.5 139.6-145.3 118.4 5.4 -5.6 -4.8 29 29 A N - 0 0 138 -2,-0.3 -16,-0.0 1,-0.1 -2,-0.0 -0.637 21.4-176.3-161.0 94.8 3.8 -7.8 -7.5 30 30 A L 0 0 166 -2,-0.2 -1,-0.1 1,-0.1 -17,-0.0 0.644 360.0 360.0 -67.4 -13.3 0.1 -7.6 -8.3 31 31 A N 0 0 189 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.838 360.0 360.0 60.6 360.0 0.6 -10.4 -10.7