==== 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 DE NOVO PROTEIN 12-JUL-07 2JST . COMPND 2 MOLECULE: FOUR-ALPHA-HELIX BUNDLE; . SOURCE 2 SYNTHETIC: YES . AUTHOR T.CUI,V.BONDARENKO,D.MA,C.CANLAS,N.R.BRANDON,J.S.JOHANSSON, . 124 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9206.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 104 83.9 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 . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 21.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 61.3 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 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 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 M 0 0 132 0, 0.0 59,-0.2 0, 0.0 58,-0.1 0.000 360.0 360.0 360.0 25.4 -13.5 18.7 -0.2 2 2 A K - 0 0 144 57,-0.4 58,-0.1 58,-0.0 57,-0.1 0.990 360.0 -96.3 -73.0 -74.6 -11.8 22.1 -0.8 3 3 A K S S+ 0 0 169 56,-0.1 56,-0.0 0, 0.0 -1,-0.0 0.142 109.2 23.6-179.3 -37.8 -10.3 21.8 -4.3 4 4 A L S S+ 0 0 120 55,-0.1 4,-0.3 2,-0.1 3,-0.1 0.615 117.7 57.4-116.9 -27.0 -6.7 20.7 -4.1 5 5 A R S >> S+ 0 0 106 1,-0.2 3,-2.5 2,-0.2 4,-0.6 0.919 98.5 59.3 -72.1 -45.5 -6.7 19.0 -0.7 6 6 A E H >> S+ 0 0 68 1,-0.3 3,-1.3 53,-0.2 4,-1.2 0.789 89.7 75.2 -53.8 -28.2 -9.4 16.5 -1.5 7 7 A E H 3> S+ 0 0 103 1,-0.3 4,-0.9 2,-0.2 -1,-0.3 0.804 91.0 55.6 -55.0 -29.9 -7.1 15.3 -4.3 8 8 A A H <> S+ 0 0 13 -3,-2.5 4,-1.1 -4,-0.3 -1,-0.3 0.774 97.4 63.4 -74.2 -27.0 -5.0 13.6 -1.6 9 9 A A H X S+ 0 0 138 -4,-1.1 3,-2.0 -5,-0.3 4,-1.2 0.982 106.3 44.4 -67.9 -59.1 -8.4 -0.6 -3.8 18 18 A L H 3X S+ 0 0 60 -4,-3.0 4,-3.2 1,-0.3 5,-0.3 0.826 106.5 64.0 -55.2 -32.7 -5.3 -2.5 -5.1 19 19 A A H 3X S+ 0 0 8 -4,-1.0 4,-0.6 -5,-0.4 -1,-0.3 0.760 98.8 55.8 -63.4 -24.8 -5.2 -4.2 -1.7 20 20 A E H < S+ 0 0 96 -4,-2.7 3,-1.9 2,-0.2 4,-0.3 0.888 103.2 61.1 -77.8 -41.7 -4.8 -12.7 -6.3 26 26 A L H >X S+ 0 0 21 -4,-1.7 4,-0.6 -5,-0.3 3,-0.5 0.921 115.6 33.4 -50.4 -50.3 -1.9 -13.1 -3.8 27 27 A E T 3< S+ 0 0 107 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.248 86.9 111.7 -90.8 12.3 -3.5 -16.3 -2.4 28 28 A G T <4 S- 0 0 61 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.659 110.5 -59.7 -59.7 -14.2 -4.9 -17.1 -5.8 29 29 A G T <4 S+ 0 0 66 -3,-0.5 -1,-0.2 -4,-0.3 -2,-0.1 0.565 107.8 106.8 135.4 45.2 -2.5 -20.0 -5.8 30 30 A G S < S- 0 0 10 -4,-0.6 2,-0.2 1,-0.2 -3,-0.1 0.762 87.1 -25.8-111.9 -45.0 1.1 -18.8 -5.5 31 31 A G - 0 0 25 -5,-0.5 2,-0.4 37,-0.0 -1,-0.2 -0.800 48.2-174.5-175.9 131.0 2.2 -19.6 -2.0 32 32 A G + 0 0 75 -2,-0.2 3,-0.1 1,-0.1 -5,-0.0 -0.916 23.8 142.2-137.9 111.3 0.7 -20.2 1.4 33 33 A G S S- 0 0 68 -2,-0.4 2,-0.3 1,-0.4 -1,-0.1 0.766 71.0 -4.9-111.4 -45.2 2.7 -20.7 4.6 34 34 A G > - 0 0 39 1,-0.1 4,-1.4 0, 0.0 -1,-0.4 -0.993 52.2-127.0-152.3 156.3 0.9 -18.9 7.3 35 35 A G H > S+ 0 0 62 -2,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.933 111.2 48.7 -69.1 -47.1 -2.1 -16.7 8.0 36 36 A E H > S+ 0 0 160 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.865 104.6 62.8 -60.8 -37.0 -0.1 -14.0 9.9 37 37 A L H >4 S+ 0 0 73 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.954 109.6 37.2 -52.7 -56.7 2.5 -14.0 7.1 38 38 A M H >X S+ 0 0 36 -4,-1.4 3,-2.1 1,-0.3 4,-1.2 0.781 102.4 76.2 -67.4 -26.9 0.0 -12.8 4.4 39 39 A K H 3X S+ 0 0 123 -4,-1.7 4,-1.8 1,-0.3 -1,-0.3 0.801 83.2 67.2 -54.0 -29.7 -1.6 -10.6 7.1 40 40 A L H << S+ 0 0 43 -3,-1.1 4,-0.4 -4,-1.0 -1,-0.3 0.805 98.2 52.7 -61.9 -29.5 1.4 -8.3 6.6 41 41 A C H X4 S+ 0 0 9 -3,-2.1 3,-1.3 -4,-0.3 4,-0.3 0.939 109.6 45.0 -71.9 -49.2 0.1 -7.5 3.1 42 42 A E H >X S+ 0 0 82 -4,-1.2 3,-1.5 1,-0.3 4,-0.9 0.773 97.1 76.6 -65.8 -26.0 -3.4 -6.6 4.1 43 43 A E H 3X S+ 0 0 59 -4,-1.8 4,-2.3 1,-0.3 3,-0.4 0.790 78.3 75.0 -55.0 -28.1 -1.9 -4.5 6.9 44 44 A A H <> S+ 0 0 10 -3,-1.3 4,-1.8 -4,-0.4 -1,-0.3 0.889 98.4 43.4 -51.9 -43.3 -1.1 -1.9 4.2 45 45 A A H <> S+ 0 0 14 -3,-1.5 4,-1.0 -4,-0.3 -1,-0.3 0.740 108.9 60.4 -75.1 -23.7 -4.8 -0.9 4.1 46 46 A K H X S+ 0 0 93 -4,-0.9 4,-1.5 -3,-0.4 -2,-0.2 0.929 109.4 39.7 -69.1 -46.8 -4.9 -1.0 7.9 47 47 A K H >X S+ 0 0 55 -4,-2.3 4,-1.6 2,-0.2 3,-0.5 0.975 116.0 48.6 -66.9 -56.9 -2.3 1.7 8.3 48 48 A A H 3X S+ 0 0 8 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.779 109.2 58.1 -54.5 -27.2 -3.4 3.9 5.5 49 49 A E H 3X S+ 0 0 95 -4,-1.0 4,-1.2 2,-0.2 -1,-0.2 0.914 99.8 55.0 -70.3 -44.4 -6.9 3.6 6.9 50 50 A E H XX S+ 0 0 119 -4,-1.5 4,-0.9 -3,-0.5 3,-0.6 0.935 117.0 36.0 -54.2 -51.0 -5.9 5.0 10.3 51 51 A L H 3X S+ 0 0 12 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.813 107.7 67.4 -73.0 -30.9 -4.5 8.2 8.7 52 52 A F H 3< S+ 0 0 50 -4,-1.7 4,-0.5 -5,-0.3 -1,-0.2 0.757 96.6 58.3 -60.5 -24.0 -7.2 8.2 6.0 53 53 A K H X< S+ 0 0 118 -4,-1.2 3,-0.9 -3,-0.6 4,-0.3 0.972 114.2 31.8 -70.3 -56.7 -9.7 8.9 8.8 54 54 A L H >X S+ 0 0 79 -4,-0.9 3,-1.6 1,-0.2 4,-1.1 0.762 105.3 76.5 -72.5 -25.5 -8.1 12.1 10.1 55 55 A A H 3X S+ 0 0 12 -4,-2.7 4,-0.9 1,-0.3 -1,-0.2 0.761 90.3 57.7 -56.1 -25.0 -7.0 12.9 6.6 56 56 A E H <> S+ 0 0 37 -3,-0.9 4,-1.3 -4,-0.5 -1,-0.3 0.761 95.1 65.0 -77.0 -26.2 -10.6 13.9 5.9 57 57 A E H <4 S+ 0 0 132 -3,-1.6 -2,-0.2 -4,-0.3 -1,-0.2 0.940 110.5 34.6 -61.5 -49.3 -10.5 16.5 8.7 58 58 A R H < S+ 0 0 83 -4,-1.1 -1,-0.2 3,-0.1 -2,-0.2 0.716 127.4 43.4 -78.0 -21.8 -7.9 18.6 6.9 59 59 A L H < S+ 0 0 12 -4,-0.9 -57,-0.4 -5,-0.3 -53,-0.2 0.938 123.6 4.1 -85.1 -77.5 -9.4 17.7 3.5 60 60 A K S < S- 0 0 60 -4,-1.3 2,-0.7 -59,-0.2 -1,-0.1 -0.340 78.0-102.8-101.0-175.7 -13.2 17.9 3.8 61 61 A K 0 0 209 -2,-0.1 -4,-0.1 -3,-0.1 -3,-0.1 -0.783 360.0 360.0-114.8 87.1 -15.6 19.0 6.6 62 62 A L 0 0 154 -2,-0.7 -5,-0.0 -6,-0.2 -6,-0.0 -0.479 360.0 360.0 -63.4 360.0 -17.0 15.8 8.2 63 !* 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 64 1 B M 0 0 132 0, 0.0 59,-0.2 0, 0.0 58,-0.1 0.000 360.0 360.0 360.0 25.4 11.0 -17.2 -10.9 65 2 B K - 0 0 148 57,-0.4 58,-0.1 58,-0.0 57,-0.1 0.990 360.0 -96.3 -72.9 -74.6 9.0 -20.3 -11.5 66 3 B K S S+ 0 0 166 56,-0.1 56,-0.0 0, 0.0 -1,-0.0 0.142 109.2 23.6-179.4 -37.7 6.2 -19.2 -13.9 67 4 B L S S+ 0 0 120 55,-0.1 4,-0.3 -37,-0.1 3,-0.1 0.615 117.7 57.4-116.9 -26.9 3.1 -18.5 -11.8 68 5 B R S >> S+ 0 0 108 1,-0.2 3,-2.5 2,-0.2 4,-0.5 0.919 98.5 59.4 -72.1 -45.5 4.6 -17.7 -8.4 69 6 B E H >> S+ 0 0 70 1,-0.3 3,-1.3 53,-0.2 4,-1.2 0.789 89.7 75.2 -53.8 -28.3 6.8 -14.9 -9.7 70 7 B E H 3> S+ 0 0 104 1,-0.3 4,-0.9 2,-0.2 -1,-0.3 0.805 91.0 55.6 -54.9 -30.0 3.6 -13.2 -10.8 71 8 B A H <> S+ 0 0 15 -3,-2.5 4,-1.1 -4,-0.3 -1,-0.3 0.774 97.4 63.4 -74.1 -27.0 3.0 -12.4 -7.1 72 9 B A H X S+ 0 0 138 -4,-1.1 3,-2.0 -5,-0.3 4,-1.2 0.981 106.5 44.5 -68.1 -59.0 6.0 2.1 -6.7 81 18 B L H 3X S+ 0 0 59 -4,-3.0 4,-3.2 1,-0.3 5,-0.3 0.825 106.5 63.9 -55.3 -32.4 2.8 4.0 -6.0 82 19 B A H 3X S+ 0 0 9 -4,-1.0 4,-0.6 -5,-0.4 -1,-0.3 0.761 98.8 55.7 -63.7 -24.7 4.2 4.8 -2.6 83 20 B E H < S+ 0 0 98 -4,-2.7 3,-1.9 2,-0.2 4,-0.3 0.887 103.2 61.1 -77.8 -41.6 2.3 14.1 -4.2 89 26 B L H >X S+ 0 0 22 -4,-1.7 4,-0.6 -5,-0.3 3,-0.5 0.921 115.6 33.3 -50.5 -50.3 0.8 13.7 -0.7 90 27 B E T 3< S+ 0 0 110 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.248 86.9 111.7 -90.8 12.2 3.0 16.5 0.7 91 28 B G T <4 S- 0 0 60 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.660 110.5 -59.7 -59.7 -14.2 2.8 18.3 -2.7 92 29 B G T <4 S+ 0 0 64 -3,-0.5 -1,-0.2 -4,-0.3 -2,-0.1 0.566 107.8 106.8 135.4 45.2 0.8 20.9 -0.8 93 30 B G S < S- 0 0 11 -4,-0.6 2,-0.2 1,-0.2 -3,-0.1 0.761 87.1 -25.9-111.8 -44.8 -2.3 19.4 0.7 94 31 B G - 0 0 27 -5,-0.5 2,-0.4 -89,-0.0 -1,-0.2 -0.802 48.1-174.4-176.0 131.1 -1.8 19.3 4.4 95 32 B G + 0 0 72 -2,-0.2 3,-0.1 1,-0.1 -5,-0.0 -0.916 24.0 142.0-137.9 111.2 1.1 19.0 6.8 96 33 B G S S- 0 0 69 -2,-0.4 2,-0.3 1,-0.4 -1,-0.1 0.765 71.0 -4.7-111.4 -45.1 0.7 18.6 10.6 97 34 B G > - 0 0 37 1,-0.1 4,-1.4 0, 0.0 -1,-0.4 -0.993 52.3-127.0-152.2 156.2 3.4 16.2 11.7 98 35 B G H > S+ 0 0 62 -2,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.933 111.2 48.6 -68.9 -47.1 6.3 14.1 10.4 99 36 B E H > S+ 0 0 162 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.865 104.6 62.8 -60.8 -37.1 5.2 10.9 12.1 100 37 B L H >4 S+ 0 0 72 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.954 109.6 37.3 -52.6 -56.7 1.6 11.4 10.9 101 38 B M H >X S+ 0 0 36 -4,-1.4 3,-2.1 1,-0.3 4,-1.1 0.780 102.3 76.2 -67.2 -27.0 2.6 11.2 7.2 102 39 B K H 3X S+ 0 0 123 -4,-1.7 4,-1.8 1,-0.3 -1,-0.3 0.801 83.1 67.4 -54.1 -29.6 5.1 8.4 8.2 103 40 B L H << S+ 0 0 43 -3,-1.2 4,-0.4 -4,-0.9 -1,-0.3 0.805 98.0 52.8 -61.8 -29.4 2.1 6.1 8.5 104 41 B C H X4 S+ 0 0 9 -3,-2.1 3,-1.4 -4,-0.3 4,-0.3 0.940 109.5 44.9 -71.8 -49.3 1.7 6.4 4.7 105 42 B E H >X S+ 0 0 87 -4,-1.1 3,-1.5 1,-0.3 4,-0.9 0.773 97.2 76.7 -65.8 -25.9 5.3 5.5 3.8 106 43 B E H 3X S+ 0 0 58 -4,-1.8 4,-2.3 1,-0.3 3,-0.4 0.790 78.3 74.8 -55.0 -28.3 5.0 2.6 6.3 107 44 B A H <> S+ 0 0 10 -3,-1.4 4,-1.8 -4,-0.4 -1,-0.3 0.889 98.4 43.5 -51.9 -43.2 2.9 0.8 3.7 108 45 B A H <> S+ 0 0 15 -3,-1.5 4,-1.0 -4,-0.3 -1,-0.3 0.740 109.0 60.4 -75.1 -23.7 6.1 0.1 1.7 109 46 B K H X S+ 0 0 93 -4,-0.9 4,-1.5 -3,-0.4 -2,-0.2 0.929 109.5 39.6 -69.2 -46.8 7.9 -0.8 5.0 110 47 B K H >X S+ 0 0 53 -4,-2.3 4,-1.6 2,-0.2 3,-0.5 0.975 115.9 48.7 -67.0 -56.9 5.5 -3.7 5.8 111 48 B A H 3X S+ 0 0 6 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.778 109.2 58.1 -54.4 -27.1 5.2 -5.0 2.2 112 49 B E H 3X S+ 0 0 94 -4,-1.0 4,-1.2 2,-0.2 -1,-0.2 0.914 99.7 55.1 -70.4 -44.3 8.9 -4.9 2.0 113 50 B E H XX S+ 0 0 115 -4,-1.5 4,-0.9 -3,-0.5 3,-0.6 0.935 117.0 35.9 -54.0 -51.1 9.5 -7.2 5.0 114 51 B L H 3X S+ 0 0 10 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.814 107.9 67.3 -73.1 -31.0 7.3 -9.9 3.4 115 52 B F H 3< S+ 0 0 51 -4,-1.7 4,-0.5 -5,-0.3 -1,-0.2 0.757 96.7 58.3 -60.6 -24.0 8.6 -9.0 -0.0 116 53 B K H X< S+ 0 0 116 -4,-1.2 3,-0.9 -3,-0.6 4,-0.3 0.972 114.2 31.8 -70.3 -56.8 12.0 -10.3 1.1 117 54 B L H >X S+ 0 0 78 -4,-0.9 3,-1.6 1,-0.2 4,-1.1 0.763 105.3 76.5 -72.4 -25.5 10.9 -13.8 2.1 118 55 B A H 3X S+ 0 0 14 -4,-2.6 4,-0.9 1,-0.3 -1,-0.2 0.762 90.3 57.7 -56.1 -25.0 8.3 -13.8 -0.7 119 56 B E H <> S+ 0 0 41 -3,-0.9 4,-1.3 -4,-0.5 -1,-0.3 0.762 95.1 65.0 -77.1 -26.2 11.2 -14.3 -3.1 120 57 B E H <4 S+ 0 0 135 -3,-1.6 -2,-0.2 -4,-0.3 -1,-0.2 0.940 110.5 34.6 -61.5 -49.3 12.2 -17.5 -1.3 121 58 B R H < S+ 0 0 84 -4,-1.1 -1,-0.2 3,-0.1 -2,-0.2 0.717 127.4 43.4 -78.1 -21.8 9.0 -19.3 -2.3 122 59 B L H < S+ 0 0 14 -4,-0.9 -57,-0.4 -5,-0.3 -53,-0.2 0.939 123.7 4.1 -85.1 -77.5 9.0 -17.4 -5.6 123 60 B K S < S- 0 0 62 -4,-1.3 2,-0.7 -59,-0.2 -1,-0.1 -0.342 78.0-102.8-101.0-175.6 12.5 -17.4 -7.1 124 61 B K 0 0 210 -2,-0.1 -4,-0.1 -3,-0.1 -3,-0.1 -0.782 360.0 360.0-114.7 87.0 15.7 -19.0 -6.0 125 62 B L 0 0 153 -2,-0.7 -5,-0.0 -6,-0.2 -6,-0.0 -0.478 360.0 360.0 -63.4 360.0 17.9 -16.3 -4.4