==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 01-JUN-99 1QP6 . COMPND 2 MOLECULE: PROTEIN (ALPHA2D); . SOURCE 2 SYNTHETIC: YES; . AUTHOR R.B.HILL,W.F.DEGRADO . 70 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5362.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 53 75.7 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 . 2 2.9 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 . 2 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 60.0 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+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 2 0 0 2 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 99 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.5 42.4 9.2 6.0 2 2 A E - 0 0 113 51,-0.1 4,-0.2 55,-0.0 56,-0.0 0.270 360.0 -43.0-133.0 -97.6 38.9 8.8 7.3 3 3 A V S >> S+ 0 0 26 2,-0.1 4,-1.8 1,-0.1 3,-0.6 0.531 107.1 92.7-120.8 -12.7 35.9 7.6 5.2 4 4 A E H 3> S+ 0 0 119 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.769 83.1 63.9 -54.4 -20.7 36.4 9.4 1.9 5 5 A E H 3> S+ 0 0 87 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.951 101.7 44.7 -70.7 -48.1 38.2 6.3 0.8 6 6 A L H <> S+ 0 0 2 -3,-0.6 4,-1.2 1,-0.2 -2,-0.2 0.902 114.3 51.1 -64.0 -37.9 35.2 3.9 1.0 7 7 A E H X S+ 0 0 77 -4,-1.8 4,-1.8 2,-0.2 5,-0.3 0.944 110.2 47.8 -66.3 -45.8 33.0 6.5 -0.7 8 8 A K H X S+ 0 0 107 -4,-2.0 4,-1.9 1,-0.2 5,-0.2 0.954 109.4 52.0 -62.4 -47.1 35.4 7.0 -3.6 9 9 A K H X S+ 0 0 68 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.847 108.2 58.2 -58.6 -28.3 35.9 3.3 -4.2 10 10 A F H >X S+ 0 0 1 -4,-1.2 4,-1.7 -5,-0.2 3,-1.1 1.000 110.9 34.0 -65.5 -69.7 32.1 3.1 -4.3 11 11 A K H 3X S+ 0 0 118 -4,-1.8 4,-1.6 1,-0.3 -1,-0.2 0.749 116.4 60.8 -61.0 -18.6 31.4 5.5 -7.2 12 12 A E H 3< S+ 0 0 82 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.823 103.8 47.4 -79.1 -29.1 34.6 4.3 -8.9 13 13 A L H << S+ 0 0 4 -4,-1.3 3,-0.4 -3,-1.1 -2,-0.2 0.868 112.1 49.1 -80.6 -34.0 33.4 0.7 -9.1 14 14 A W H < S+ 0 0 29 -4,-1.7 2,-0.9 1,-0.3 -2,-0.2 0.943 117.6 40.9 -69.4 -45.0 30.0 1.6 -10.5 15 15 A K S < S+ 0 0 178 -4,-1.6 -1,-0.3 -5,-0.2 3,-0.1 -0.703 127.9 17.5-105.5 83.5 31.4 3.9 -13.2 16 16 A G S S+ 0 0 70 -2,-0.9 -3,-0.2 1,-0.7 -2,-0.1 -0.560 118.4 31.7 161.9 -88.3 34.5 2.1 -14.4 17 17 A P S S- 0 0 59 0, 0.0 -1,-0.7 0, 0.0 21,-0.1 0.181 112.7 -38.3 -78.6-157.2 34.8 -1.7 -13.7 18 18 A R - 0 0 55 1,-0.1 -2,-0.2 -3,-0.1 20,-0.0 0.144 52.4-169.8 -53.3-175.1 31.8 -4.0 -13.4 19 19 A R S > S+ 0 0 162 -4,-0.1 4,-2.1 -3,-0.1 3,-0.4 0.439 71.6 62.1-147.6 -49.6 28.7 -2.6 -11.7 20 20 A G H > S+ 0 0 56 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.912 107.6 50.7 -54.7 -40.3 26.0 -5.3 -11.0 21 21 A E H > S+ 0 0 102 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.851 108.9 53.1 -68.1 -30.8 28.5 -7.0 -8.7 22 22 A I H >> S+ 0 0 1 -3,-0.4 4,-1.9 2,-0.2 3,-0.5 0.991 109.3 44.2 -68.6 -59.4 29.2 -3.8 -6.9 23 23 A E H 3X S+ 0 0 44 -4,-2.1 4,-1.7 1,-0.3 -1,-0.2 0.850 109.4 60.8 -56.4 -27.9 25.6 -2.9 -6.0 24 24 A E H 3X S+ 0 0 115 -4,-1.5 4,-1.6 -5,-0.4 -1,-0.3 0.951 102.3 50.6 -64.3 -43.1 25.2 -6.5 -5.0 25 25 A L H X S+ 0 0 107 -4,-1.7 4,-1.6 1,-0.2 3,-0.5 0.945 107.0 52.8 -56.4 -42.5 23.1 -5.2 -0.2 28 28 A K H 3X S+ 0 0 130 -4,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.905 102.6 58.5 -59.7 -38.3 25.6 -7.3 1.7 29 29 A F H 3X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 5,-0.5 0.867 100.6 56.5 -61.8 -32.3 26.7 -4.1 3.6 30 30 A H H > S+ 0 0 28 2,-0.1 4,-1.8 1,-0.1 3,-0.7 0.532 107.1 92.7-120.8 -12.9 35.1 -5.5 -6.1 40 4 B E H 3> S+ 0 0 121 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.769 83.1 63.9 -54.3 -20.7 37.1 -7.1 -3.3 41 5 B E H 3> S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.950 101.7 44.7 -70.7 -48.0 38.6 -3.6 -2.8 42 6 B L H <> S+ 0 0 1 -3,-0.7 4,-1.2 1,-0.2 -2,-0.2 0.902 114.3 51.1 -64.1 -37.8 35.3 -1.9 -1.8 43 7 B E H X S+ 0 0 79 -4,-1.8 4,-1.8 2,-0.2 5,-0.3 0.943 110.2 47.8 -66.3 -45.7 34.5 -4.8 0.5 44 8 B K H X S+ 0 0 106 -4,-2.0 4,-1.8 1,-0.2 5,-0.2 0.954 109.4 52.0 -62.6 -47.1 37.9 -4.7 2.3 45 9 B K H X S+ 0 0 70 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.846 108.2 58.2 -58.5 -28.3 37.7 -0.9 2.8 46 10 B F H >X S+ 0 0 2 -4,-1.2 4,-1.7 -5,-0.2 3,-1.1 1.000 110.9 34.0 -65.6 -69.6 34.3 -1.6 4.3 47 11 B K H 3X S+ 0 0 120 -4,-1.8 4,-1.6 1,-0.3 -1,-0.2 0.749 116.4 60.8 -61.0 -18.6 35.1 -4.0 7.2 48 12 B E H 3< S+ 0 0 84 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.823 103.8 47.4 -79.1 -29.2 38.4 -2.1 7.6 49 13 B L H << S+ 0 0 5 -4,-1.3 3,-0.4 -3,-1.1 -2,-0.2 0.869 112.1 49.1 -80.6 -33.9 36.7 1.2 8.4 50 14 B W H < S+ 0 0 31 -4,-1.7 2,-0.9 1,-0.3 -2,-0.2 0.944 117.6 40.8 -69.5 -45.0 34.3 -0.3 10.9 51 15 B K S < S+ 0 0 181 -4,-1.6 -1,-0.3 -5,-0.2 3,-0.1 -0.704 127.9 17.5-105.4 83.5 37.1 -2.1 12.8 52 16 B G S S+ 0 0 69 -2,-0.9 -3,-0.2 1,-0.7 -2,-0.1 -0.561 118.4 31.7 161.9 -88.3 40.0 0.4 12.9 53 17 B P S S- 0 0 61 0, 0.0 -1,-0.7 0, 0.0 -51,-0.1 0.181 112.8 -38.3 -78.7-157.2 39.2 4.0 12.2 54 18 B R - 0 0 56 1,-0.1 -2,-0.2 -3,-0.1 -52,-0.0 0.146 52.4-169.8 -53.3-175.0 35.9 5.7 13.2 55 19 B R S > S+ 0 0 166 -4,-0.1 4,-2.1 -3,-0.1 3,-0.4 0.437 71.6 62.1-147.7 -49.6 32.7 3.7 12.7 56 20 B G H > S+ 0 0 57 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.911 107.5 50.7 -54.8 -40.2 29.5 5.7 13.1 57 21 B E H > S+ 0 0 102 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.850 108.9 53.1 -68.1 -30.7 30.5 7.8 10.1 58 22 B I H >> S+ 0 0 1 -3,-0.4 4,-1.9 2,-0.2 3,-0.5 0.991 109.3 44.1 -68.7 -59.3 31.2 4.7 8.0 59 23 B E H 3X S+ 0 0 43 -4,-2.1 4,-1.7 1,-0.3 -1,-0.2 0.852 109.4 60.7 -56.5 -28.0 27.8 3.0 8.5 60 24 B E H 3X S+ 0 0 116 -4,-1.5 4,-1.6 -5,-0.4 -1,-0.3 0.951 102.4 50.6 -64.2 -43.1 26.3 6.5 7.9 61 25 B L H