==== 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 2HM6 . 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) . 2962.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 12 38.7 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 . 1 3.2 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 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 12.9 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 0 135 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 168.8 -2.6 -23.8 0.3 2 2 A S - 0 0 119 1,-0.1 2,-0.2 0, 0.0 0, 0.0 -0.515 360.0-117.4 -85.1 153.4 -4.2 -20.3 -0.1 3 3 A Q - 0 0 162 -2,-0.2 2,-0.4 1,-0.0 -1,-0.1 -0.605 20.4-130.3 -90.9 151.7 -4.1 -18.3 -3.3 4 4 A I - 0 0 127 -2,-0.2 -1,-0.0 1,-0.1 0, 0.0 -0.856 0.7-149.6-104.9 134.9 -2.4 -14.9 -3.5 5 5 A T - 0 0 115 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.944 63.0 -79.2 -63.9 -50.3 -4.1 -11.9 -5.1 6 6 A G - 0 0 46 1,-0.1 -2,-0.1 2,-0.0 -1,-0.0 -0.081 64.3 -70.8-176.5 -71.8 -0.9 -10.3 -6.3 7 7 A T S S+ 0 0 128 1,-0.5 -2,-0.1 17,-0.0 -1,-0.1 0.043 100.1 72.9-171.5 -63.1 1.3 -8.4 -4.0 8 8 A a S S- 0 0 46 1,-0.1 -1,-0.5 16,-0.1 5,-0.1 -0.564 88.6-104.6 -75.6 134.4 0.0 -5.0 -2.8 9 9 A P >> - 0 0 64 0, 0.0 3,-3.3 0, 0.0 4,-0.6 -0.316 25.7-122.0 -58.9 136.1 -2.8 -5.2 -0.3 10 10 A S H >> S+ 0 0 90 1,-0.3 3,-1.7 2,-0.2 4,-1.1 0.811 112.2 69.8 -47.5 -33.1 -6.1 -4.3 -1.9 11 11 A V H 3> S+ 0 0 62 1,-0.3 4,-0.6 2,-0.2 -1,-0.3 0.794 89.9 61.4 -58.0 -27.7 -6.4 -1.6 0.7 12 12 A b H <4 S+ 0 0 4 -3,-3.3 14,-0.3 1,-0.2 -1,-0.3 0.767 94.7 60.8 -71.9 -22.7 -3.5 0.1 -1.2 13 13 A S H << S+ 0 0 114 -3,-1.7 -1,-0.2 -4,-0.6 -2,-0.2 0.885 125.3 18.1 -69.3 -34.4 -5.8 0.3 -4.2 14 14 A G H < S+ 0 0 50 -4,-1.1 2,-0.9 1,-0.3 -2,-0.2 0.813 132.1 28.4 -96.8 -88.9 -8.0 2.4 -2.1 15 15 A D < - 0 0 102 -4,-0.6 2,-2.0 1,-0.1 -1,-0.3 -0.675 63.1-160.1 -82.2 108.1 -6.4 3.9 1.0 16 16 A c + 0 0 40 -2,-0.9 13,-0.2 -3,-0.2 -4,-0.1 -0.356 28.6 169.0 -82.8 59.8 -2.7 4.4 0.4 17 17 A Y > - 0 0 97 -2,-2.0 3,-3.7 -6,-0.2 12,-0.0 -0.266 55.9 -88.4 -70.4 160.2 -1.9 4.6 4.1 18 18 A P T 3 S+ 0 0 139 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.659 124.2 71.4 -41.5 -22.1 1.7 4.5 5.3 19 19 A E T 3 S+ 0 0 165 2,-0.0 -7,-0.1 0, 0.0 -3,-0.1 0.743 76.1 101.2 -70.5 -21.9 1.5 0.7 5.4 20 20 A b S < S- 0 0 19 -3,-3.7 3,-0.1 1,-0.1 -12,-0.0 -0.485 73.9-129.8 -68.2 124.7 1.5 0.7 1.6 21 21 A P >> - 0 0 56 0, 0.0 3,-1.4 0, 0.0 4,-0.5 -0.130 42.1 -66.6 -68.3 168.3 4.9 -0.2 0.1 22 22 A P T 34 S+ 0 0 133 0, 0.0 6,-0.0 0, 0.0 0, 0.0 -0.361 116.0 6.5 -61.6 129.5 6.6 1.9 -2.7 23 23 A G T 34 S+ 0 0 74 2,-0.2 5,-0.0 -2,-0.1 3,-0.0 0.560 99.4 103.2 77.6 12.0 4.9 2.0 -6.1 24 24 A a T <4 S+ 0 0 37 -3,-1.4 2,-0.2 -17,-0.0 -16,-0.1 0.928 71.8 53.4 -86.2 -53.2 1.8 0.2 -5.0 25 25 A c S < S- 0 0 14 -4,-0.5 3,-0.2 1,-0.1 -2,-0.2 -0.502 71.8-138.8 -85.7 152.6 -0.7 3.0 -4.7 26 26 A G S S+ 0 0 69 -14,-0.3 2,-2.2 1,-0.2 -1,-0.1 0.987 93.2 58.3 -72.2 -63.9 -1.5 5.6 -7.3 27 27 A Q S S- 0 0 156 1,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.470 82.7-158.7 -72.0 80.6 -1.8 8.8 -5.3 28 28 A V - 0 0 95 -2,-2.2 2,-0.2 -3,-0.2 3,-0.1 -0.449 8.8-160.9 -65.4 124.4 1.8 8.6 -3.9 29 29 A N + 0 0 145 -2,-0.3 -1,-0.0 -13,-0.2 -12,-0.0 -0.564 59.2 44.1-103.1 169.0 2.0 10.7 -0.7 30 30 A L 0 0 153 1,-0.2 -1,-0.2 -2,-0.2 -2,-0.0 0.996 360.0 360.0 61.2 67.5 5.0 12.2 1.2 31 31 A N 0 0 206 -3,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.704 360.0 360.0 62.5 360.0 6.9 13.5 -1.8