==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 18-SEP-01 1K09 . COMPND 2 MOLECULE: CORE MODULE I; . SOURCE 2 SYNTHETIC: YES; . AUTHOR N.CARULLA,C.WOODWARD,G.BARANY . 48 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3914.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 25 52.1 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 . 10 20.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 2.1 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 . 8 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 2.1 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 . 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 . 5 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 2 A K 0 0 183 0, 0.0 2,-2.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 94.0 -8.0 -7.6 -17.7 2 3 A A + 0 0 92 1,-0.1 21,-0.4 20,-0.0 22,-0.3 -0.173 360.0 62.5 -76.1 50.7 -5.1 -9.2 -15.9 3 4 A X S S- 0 0 106 -2,-2.4 19,-0.2 21,-0.5 21,-0.2 -0.580 74.6-142.3-174.7 105.3 -5.5 -6.8 -13.0 4 5 A I - 0 0 79 17,-1.1 2,-0.4 19,-0.6 19,-0.1 0.259 29.2-113.3 -54.9-165.0 -8.6 -6.3 -10.7 5 6 A I + 0 0 96 15,-0.1 2,-0.2 17,-0.1 15,-0.1 -0.986 40.0 157.2-142.2 132.2 -9.5 -2.8 -9.6 6 7 A R + 0 0 122 -2,-0.4 13,-0.7 0, 0.0 2,-0.2 -0.618 25.6 129.1-154.7 88.5 -9.5 -1.1 -6.2 7 8 A Y B -A 18 0A 97 11,-0.2 11,-0.2 -2,-0.2 10,-0.1 -0.736 49.2-139.6-131.9-177.5 -9.3 2.7 -6.0 8 9 A F - 0 0 120 9,-1.8 9,-0.1 -2,-0.2 10,-0.1 0.145 42.3-130.6-133.0 20.4 -11.1 5.6 -4.3 9 10 A Y - 0 0 141 8,-0.4 8,-0.4 7,-0.2 7,-0.3 0.301 28.0-178.0 48.2 170.6 -11.2 8.2 -7.1 10 11 A N B > -B 15 0B 72 5,-0.7 5,-0.7 6,-0.2 -1,-0.1 0.107 2.7-174.9 162.3 67.2 -10.1 11.8 -6.6 11 12 A A T >5 + 0 0 46 3,-0.2 4,-3.8 2,-0.1 25,-0.2 0.867 33.7 131.8 -44.1-103.5 -10.4 14.1 -9.6 12 13 A K T 45S- 0 0 152 1,-0.3 24,-0.3 2,-0.2 4,-0.0 0.926 103.5 -10.2 45.7 84.8 -8.8 17.4 -8.6 13 14 A D T 45S- 0 0 95 1,-0.2 24,-0.5 22,-0.1 -1,-0.3 0.496 134.9 -59.1 74.5 0.2 -6.6 18.0 -11.7 14 15 A G T 45S+ 0 0 35 22,-0.2 -3,-0.2 1,-0.1 -2,-0.2 0.879 92.5 149.4 95.2 48.6 -7.5 14.4 -12.7 15 16 A L B << +B 10 0B 29 -4,-3.8 -5,-0.7 -5,-0.7 20,-0.2 -0.613 15.8 166.4-107.5 171.3 -6.2 12.3 -9.7 16 17 A X B -C 34 0C 5 18,-2.3 18,-0.8 -7,-0.3 -6,-0.2 -0.278 39.3-123.9 175.6 90.3 -7.5 9.0 -8.2 17 18 A Q - 0 0 51 -8,-0.4 -9,-1.8 16,-0.2 2,-0.9 -0.162 33.9-171.1 -43.8 102.7 -5.7 6.8 -5.7 18 19 A T B +A 7 0A 11 -11,-0.2 2,-1.4 -10,-0.1 14,-1.4 -0.654 14.7 169.3-105.0 80.9 -5.7 3.6 -7.8 19 20 A F B +D 31 0D 78 -2,-0.9 12,-0.3 -13,-0.7 2,-0.2 -0.654 17.9 177.6 -89.8 85.6 -4.4 0.9 -5.5 20 21 A V - 0 0 0 -2,-1.4 2,-0.4 10,-1.4 -15,-0.1 -0.546 19.6-140.3 -89.8 157.7 -5.3 -2.2 -7.6 21 22 A Y - 0 0 92 8,-0.3 -17,-1.1 -2,-0.2 8,-0.3 -0.916 29.1 -97.4-117.4 142.7 -4.5 -5.8 -6.7 22 23 A G S S+ 0 0 8 6,-1.6 -19,-0.2 -2,-0.4 -1,-0.1 0.057 73.7 100.9 -46.1 168.3 -3.3 -8.5 -9.2 23 24 A G 0 0 39 -21,-0.4 -19,-0.6 -19,-0.1 -2,-0.1 -0.116 360.0 360.0 122.0 138.8 -6.0 -10.8 -10.5 24 25 A C 0 0 125 -22,-0.3 -21,-0.5 -21,-0.2 -1,-0.1 0.837 360.0 360.0 -64.6 360.0 -7.9 -11.0 -13.8 25 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 26 2 B K 0 0 223 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 47.4 -2.3 -11.8 0.2 27 3 B A + 0 0 26 1,-0.1 20,-0.1 20,-0.0 -5,-0.1 -0.267 360.0 80.6-108.7-161.3 0.5 -10.1 -1.8 28 4 B R + 0 0 128 1,-0.2 -6,-1.6 -2,-0.1 2,-0.5 0.998 55.7 161.9 63.8 64.7 1.0 -9.2 -5.5 29 5 B I - 0 0 12 -8,-0.3 2,-3.4 15,-0.1 -8,-0.3 -0.940 40.8-142.3-121.3 116.7 -1.0 -6.0 -5.5 30 6 B I - 0 0 20 -2,-0.5 -10,-1.4 -11,-0.1 2,-1.2 -0.279 25.6-167.4 -72.7 64.8 -0.6 -3.5 -8.4 31 7 B R B +D 19 0D 14 -2,-3.4 13,-1.2 13,-0.4 -12,-0.3 -0.320 14.5 179.8 -56.0 91.9 -0.9 -0.6 -6.0 32 8 B Y B -E 43 0E 77 -14,-1.4 11,-0.2 -2,-1.2 12,-0.0 -0.398 22.8-157.3 -91.1 172.8 -1.3 2.2 -8.6 33 9 B F - 0 0 48 9,-1.1 -16,-0.2 -16,-0.2 7,-0.2 -0.402 10.1-150.9-150.2 67.9 -1.8 5.9 -7.9 34 10 B Y B -C 16 0C 111 -18,-0.8 -18,-2.3 7,-0.1 2,-0.5 -0.136 26.6-177.6 -42.6 102.6 -3.5 7.7 -10.8 35 11 B N - 0 0 22 -20,-0.2 6,-1.0 -2,-0.1 -20,-0.2 -0.923 22.5-126.1-113.1 130.4 -2.0 11.2 -10.3 36 12 B A > - 0 0 8 -2,-0.5 3,-2.9 -24,-0.3 5,-0.2 -0.032 50.1 -77.8 -61.6 174.5 -2.8 14.2 -12.5 37 13 B K T 3 S+ 0 0 197 -24,-0.5 -1,-0.1 1,-0.3 -23,-0.1 0.801 119.8 90.3 -47.0 -25.2 -0.1 16.2 -14.2 38 14 B D T 3 S- 0 0 123 -25,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.823 114.9 -14.7 -43.4 -29.7 0.4 17.7 -10.7 39 15 B G S < S- 0 0 35 -3,-2.9 3,-0.1 -4,-0.0 -2,-0.0 0.082 92.3 -89.1-138.4-106.1 2.9 14.8 -10.2 40 16 B X - 0 0 225 1,-0.4 -4,-0.1 -7,-0.2 -3,-0.1 -0.117 53.2 -90.0 176.9 73.2 3.3 11.6 -12.3 41 17 B X - 0 0 28 -6,-1.0 -1,-0.4 -5,-0.2 2,-0.2 0.112 50.6-150.4 39.1-162.1 1.2 8.5 -11.5 42 18 B Q - 0 0 86 -24,-0.1 -9,-1.1 -3,-0.1 2,-0.3 -0.858 19.2-166.4 169.6 155.3 2.8 6.2 -9.0 43 19 B T B -E 32 0E 52 -2,-0.2 2,-1.1 -11,-0.2 -11,-0.2 -0.812 14.7-147.7-162.5 117.2 3.0 2.5 -8.0 44 20 B F - 0 0 110 -13,-1.2 2,-0.5 -2,-0.3 -13,-0.4 -0.705 21.6-166.5 -89.6 97.7 4.5 0.9 -4.8 45 21 B V + 0 0 106 -2,-1.1 -15,-0.1 1,-0.1 -2,-0.0 -0.711 37.6 124.9 -87.7 126.6 5.9 -2.5 -5.9 46 22 B Y + 0 0 147 -2,-0.5 -1,-0.1 -17,-0.2 2,-0.0 0.164 23.3 151.9-165.4 24.4 6.7 -4.9 -3.0 47 23 B G - 0 0 36 1,-0.1 -20,-0.0 -20,-0.1 -2,-0.0 -0.374 19.2-176.5 -65.2 142.7 4.8 -8.1 -3.6 48 24 B G 0 0 73 -2,-0.0 -1,-0.1 0, 0.0 -21,-0.0 0.661 360.0 360.0-112.4 -26.8 6.6 -11.2 -2.1 49 25 B C 0 0 133 0, 0.0 -21,-0.1 0, 0.0 -2,-0.0 -0.282 360.0 360.0-108.8 360.0 4.2 -14.0 -3.3