==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 04-AUG-04 1U7J . COMPND 2 MOLECULE: FOUR-HELIX BUNDLE MODEL; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR O.MAGLIO,F.NASTRI,J.R.CALHOUN,S.LAHR,V.PAVONE,W.F.DEGRADO, . 98 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7123.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 83.7 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 . 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 . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 20.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 2 0 1 0 1 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 M > 0 0 199 0, 0.0 2,-2.0 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 127.8 -7.3 -18.9 -2.8 2 2 A D T 3 + 0 0 163 1,-0.2 46,-0.0 2,-0.1 0, 0.0 -0.478 360.0 93.8 -71.1 72.8 -3.5 -18.2 -2.3 3 3 A Y T > S+ 0 0 73 -2,-2.0 3,-0.7 45,-0.1 4,-0.4 0.629 74.6 45.9-129.4 -56.5 -3.4 -15.3 -4.8 4 4 A L T X> S+ 0 0 11 -3,-0.6 4,-2.7 1,-0.2 3,-0.7 0.685 94.6 75.9 -78.6 -21.2 -3.9 -11.8 -3.1 5 5 A R H 3> S+ 0 0 181 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.857 93.0 54.8 -58.5 -36.7 -1.4 -12.4 -0.2 6 6 A E H <4 S+ 0 0 110 -3,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.768 111.5 44.6 -67.4 -27.1 1.5 -11.9 -2.7 7 7 A L H X> S+ 0 0 3 -3,-0.7 4,-3.0 -4,-0.4 3,-1.8 0.905 110.6 53.5 -80.5 -44.5 -0.0 -8.5 -3.6 8 8 A Y H 3X S+ 0 0 72 -4,-2.7 4,-2.8 1,-0.3 5,-0.5 0.929 104.4 55.7 -52.1 -50.9 -0.7 -7.6 0.0 9 9 A K H 3< S+ 0 0 98 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.397 115.0 39.8 -71.9 4.8 2.9 -8.2 1.0 10 10 A L H <> S+ 0 0 15 -3,-1.8 4,-2.5 3,-0.1 -2,-0.2 0.660 116.2 47.3-110.5 -41.5 4.0 -5.7 -1.8 11 11 A E H X S+ 0 0 1 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.940 119.2 40.2 -66.2 -46.8 1.3 -3.0 -1.3 12 12 A Q H X S+ 0 0 87 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.824 113.7 55.3 -72.2 -29.5 1.7 -2.9 2.6 13 13 A Q H > S+ 0 0 112 -5,-0.5 4,-0.6 2,-0.2 -2,-0.2 0.922 111.6 43.6 -66.8 -42.1 5.6 -3.2 2.1 14 14 A A H >X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 3,-1.3 0.922 110.1 56.9 -64.0 -42.9 5.5 -0.1 -0.1 15 15 A M H 3X S+ 0 0 27 -4,-2.3 4,-1.7 1,-0.3 5,-0.2 0.900 99.0 60.4 -54.2 -45.0 3.1 1.6 2.4 16 16 A K H 3< S+ 0 0 130 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.743 114.5 35.3 -49.7 -33.6 5.7 1.1 5.2 17 17 A L H XX S+ 0 0 62 -3,-1.3 4,-2.6 -4,-0.6 3,-0.9 0.804 107.0 64.0 -96.4 -39.6 8.2 3.2 3.2 18 18 A Y H 3X S+ 0 0 3 -4,-2.5 4,-0.6 1,-0.3 -2,-0.2 0.827 107.1 45.7 -59.5 -33.2 5.8 5.8 1.6 19 19 A R H 3< S+ 0 0 145 -4,-1.7 4,-0.3 -5,-0.2 -1,-0.3 0.668 115.7 47.5 -79.1 -20.6 4.9 7.1 5.2 20 20 A E H <4 S+ 0 0 114 -3,-0.9 3,-0.5 -5,-0.2 4,-0.5 0.920 111.5 45.3 -87.5 -51.5 8.7 7.2 6.2 21 21 A A H X S+ 0 0 13 -4,-2.6 4,-2.7 1,-0.2 3,-0.4 0.679 92.3 85.9 -65.1 -23.0 10.2 8.9 3.2 22 22 A S H X S+ 0 0 26 -4,-0.6 4,-2.8 -5,-0.3 5,-0.3 0.886 90.1 43.8 -55.4 -49.8 7.5 11.7 3.0 23 23 A E H 4 S+ 0 0 194 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.832 117.3 48.4 -64.5 -32.5 9.1 14.1 5.6 24 24 A R H 4 S+ 0 0 184 -4,-0.5 -2,-0.2 -3,-0.4 -1,-0.2 0.898 118.3 37.6 -74.6 -43.5 12.6 13.6 4.0 25 25 A V H < S- 0 0 44 -4,-2.7 -2,-0.2 2,-0.1 -3,-0.2 0.877 91.2-152.6 -80.3 -38.7 11.4 14.1 0.3 26 26 A G < + 0 0 60 -4,-2.8 -3,-0.1 -5,-0.3 -4,-0.1 0.680 41.1 139.4 78.0 21.4 8.9 16.9 1.1 27 27 A D > - 0 0 59 -5,-0.3 4,-1.0 1,-0.1 3,-0.4 -0.835 48.8-146.9 -99.4 135.2 6.5 16.4 -1.8 28 28 A P H > S+ 0 0 105 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.828 99.0 61.1 -70.8 -30.0 2.6 16.6 -1.4 29 29 A V H > S+ 0 0 31 2,-0.2 4,-2.1 1,-0.2 64,-0.1 0.853 97.5 60.0 -64.4 -30.7 1.9 13.9 -4.0 30 30 A L H > S+ 0 0 5 -3,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.926 106.6 45.8 -61.5 -42.8 4.0 11.4 -1.8 31 31 A A H X S+ 0 0 45 -4,-1.0 4,-1.0 1,-0.2 -2,-0.2 0.857 111.4 52.8 -68.1 -35.2 1.4 12.0 1.0 32 32 A K H X S+ 0 0 102 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.856 103.9 59.2 -64.6 -34.0 -1.5 11.6 -1.6 33 33 A I H X S+ 0 0 4 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.942 103.2 47.7 -65.8 -47.5 0.0 8.3 -2.7 34 34 A L H < S+ 0 0 46 -4,-1.4 4,-0.4 1,-0.2 -1,-0.2 0.813 110.5 55.3 -65.0 -27.0 -0.2 6.5 0.7 35 35 A E H >X S+ 0 0 110 -4,-1.0 3,-0.8 2,-0.2 4,-0.6 0.905 109.2 45.9 -66.0 -44.5 -3.8 7.8 1.0 36 36 A D H >X S+ 0 0 37 -4,-1.9 4,-0.9 1,-0.2 3,-0.6 0.868 105.3 61.0 -69.2 -36.7 -4.7 6.1 -2.4 37 37 A E H 3< S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.627 89.5 71.9 -67.5 -12.0 -3.0 2.8 -1.4 38 38 A E H X> S+ 0 0 110 -3,-0.8 4,-2.5 -4,-0.4 3,-1.7 0.934 96.1 49.9 -68.2 -41.5 -5.4 2.5 1.7 39 39 A K H S+ 0 0 24 -3,-1.7 4,-1.9 3,-0.1 -2,-0.2 0.624 115.2 51.2-115.3 -39.3 -5.7 -2.8 1.1 42 42 A E H X S+ 0 0 120 -4,-2.5 4,-2.6 2,-0.2 3,-0.3 0.978 119.2 36.7 -57.5 -57.3 -9.4 -2.4 2.0 43 43 A W H X S+ 0 0 53 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.889 114.6 57.0 -64.1 -39.3 -10.5 -3.8 -1.4 44 44 A L H 4 S+ 0 0 6 -5,-0.4 4,-0.2 2,-0.2 -1,-0.2 0.803 112.0 42.5 -66.2 -29.9 -7.6 -6.3 -1.4 45 45 A E H >< S+ 0 0 119 -4,-1.9 3,-1.2 -3,-0.3 4,-0.4 0.936 114.8 49.5 -73.7 -51.9 -8.9 -7.7 2.0 46 46 A T H >< S+ 0 0 90 -4,-2.6 3,-1.3 1,-0.3 -2,-0.2 0.888 109.6 50.6 -57.4 -43.1 -12.6 -7.7 1.0 47 47 A I T 3< S+ 0 0 51 -4,-2.8 -1,-0.3 1,-0.2 -3,-0.1 0.629 101.2 65.2 -75.1 -9.2 -12.0 -9.5 -2.4 48 48 A N T < 0 0 80 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.533 360.0 360.0 -87.1 -8.5 -10.0 -12.2 -0.5 49 49 A G < 0 0 128 -3,-1.3 -2,-0.1 -4,-0.4 -3,-0.1 0.932 360.0 360.0 90.8 360.0 -13.1 -13.4 1.4 50 !* 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 51 1 B M 0 0 215 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 102.3 20.4 7.1 -4.5 52 2 B D > + 0 0 93 3,-0.1 4,-2.2 2,-0.0 5,-0.2 0.430 360.0 99.3-148.6 -7.1 17.8 4.2 -4.0 53 3 B Y H > S+ 0 0 104 1,-0.2 4,-1.7 2,-0.2 3,-0.4 0.965 92.5 35.7 -54.3 -68.8 14.4 5.7 -2.7 54 4 B L H > S+ 0 0 14 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.776 113.5 60.1 -62.3 -27.6 12.5 5.8 -6.0 55 5 B R H > S+ 0 0 108 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.932 106.1 46.9 -66.6 -42.4 14.1 2.5 -7.3 56 6 B E H < S+ 0 0 96 -4,-2.2 -2,-0.2 -3,-0.4 4,-0.2 0.868 114.0 49.1 -64.1 -35.6 12.7 0.7 -4.2 57 7 B L H >X S+ 0 0 15 -4,-1.7 4,-3.3 -5,-0.2 3,-1.5 0.970 113.8 44.7 -65.7 -51.9 9.3 2.3 -5.0 58 8 B Y H 3X>S+ 0 0 69 -4,-3.0 4,-2.5 1,-0.3 5,-0.6 0.942 110.5 55.4 -53.1 -50.1 9.4 1.3 -8.7 59 9 B K H 3<5S+ 0 0 144 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.444 118.2 34.8 -71.8 2.5 10.6 -2.2 -7.8 60 10 B L H <>5S+ 0 0 21 -3,-1.5 4,-2.4 -4,-0.2 -2,-0.2 0.655 118.4 47.9-114.2 -39.6 7.5 -2.6 -5.5 61 11 B E H X5S+ 0 0 0 -4,-3.3 4,-2.7 2,-0.2 -3,-0.2 0.926 117.2 42.0 -71.8 -43.9 4.8 -0.6 -7.5 62 12 B Q H X5S+ 0 0 69 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 0.873 113.6 54.7 -67.7 -35.2 5.6 -2.3 -10.9 63 13 B Q H >< S+ 0 0 137 -4,-1.5 3,-0.6 -5,-0.3 -2,-0.2 0.958 109.4 48.3 -71.2 -54.0 -2.1 -10.9 -14.4 71 21 B A H >X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 3,-1.9 0.662 87.8 88.4 -64.8 -21.2 -4.8 -12.0 -11.9 72 22 B S H 3X S+ 0 0 33 -4,-0.8 4,-2.4 1,-0.3 5,-0.3 0.864 84.8 50.9 -52.1 -48.9 -7.7 -10.1 -13.4 73 23 B E H <4 S+ 0 0 199 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.1 0.584 121.0 35.9 -67.0 -10.9 -8.9 -12.8 -15.9 74 24 B R H <4 S+ 0 0 207 -3,-1.9 -2,-0.2 -4,-0.2 -1,-0.2 0.669 117.5 48.0-116.8 -28.5 -8.9 -15.4 -13.1 75 25 B V H < S- 0 0 35 -4,-2.7 -3,-0.2 2,-0.1 -2,-0.2 0.879 88.4-158.8 -77.6 -40.6 -10.2 -13.3 -10.1 76 26 B G < + 0 0 63 -4,-2.4 -3,-0.1 -5,-0.3 -4,-0.1 0.819 39.3 130.5 69.6 35.9 -13.0 -11.8 -12.3 77 27 B D >> - 0 0 71 -5,-0.3 3,-0.7 1,-0.1 4,-0.6 -0.953 56.0-137.7-121.6 142.5 -13.8 -8.6 -10.3 78 28 B P H >> S+ 0 0 109 0, 0.0 4,-1.6 0, 0.0 3,-0.5 0.786 97.2 66.9 -72.8 -27.5 -14.1 -5.0 -11.8 79 29 B V H 3> S+ 0 0 29 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.807 92.2 63.5 -69.5 -21.2 -12.2 -3.2 -9.0 80 30 B L H <> S+ 0 0 8 -3,-0.7 4,-1.1 2,-0.2 -1,-0.2 0.914 103.9 47.2 -60.8 -42.0 -9.0 -5.0 -10.1 81 31 B A H X S+ 0 0 118 -4,-1.8 4,-2.0 1,-0.2 3,-1.3 0.938 102.7 46.9 -58.9 -43.4 -0.6 4.1 -13.5 89 39 B K H 3X S+ 0 0 88 -4,-1.0 4,-3.0 -3,-0.4 5,-0.3 0.904 105.7 61.1 -62.2 -37.9 -0.5 7.6 -11.7 90 40 B H H 3< S+ 0 0 0 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.498 108.8 41.7 -69.4 -6.9 1.8 6.0 -9.1 91 41 B I H <> S+ 0 0 30 -3,-1.3 4,-1.8 -4,-0.4 -1,-0.2 0.688 114.5 50.2-103.2 -37.5 4.4 5.3 -11.8 92 42 B E H X S+ 0 0 138 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.952 116.6 41.5 -64.2 -47.4 4.0 8.7 -13.6 93 43 B W H X S+ 0 0 81 -4,-3.0 4,-1.3 2,-0.2 -1,-0.2 0.767 107.9 65.9 -67.0 -27.2 4.4 10.5 -10.2 94 44 B L H >4 S+ 0 0 3 -5,-0.3 3,-0.6 2,-0.2 -2,-0.2 0.962 105.3 39.7 -59.4 -54.7 7.2 8.0 -9.3 95 45 B E H >< S+ 0 0 122 -4,-1.8 3,-1.0 1,-0.2 -1,-0.2 0.786 110.8 60.5 -68.6 -27.5 9.5 9.3 -12.1 96 46 B T H >< S+ 0 0 97 -4,-1.2 3,-1.4 1,-0.2 -1,-0.2 0.832 90.9 70.6 -63.3 -30.6 8.4 12.9 -11.2 97 47 B I T << S+ 0 0 22 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.551 73.3 86.1 -69.9 -5.2 9.8 12.2 -7.7 98 48 B N T < 0 0 83 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.1 0.598 360.0 360.0 -64.4 -15.8 13.4 12.4 -9.1 99 49 B G < 0 0 122 -3,-1.4 -1,-0.2 -4,-0.1 -2,-0.1 0.930 360.0 360.0 -59.6 360.0 13.1 16.3 -8.7