==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 15-FEB-10 3LTA . COMPND 2 MOLECULE: ATP BINDING PROTEIN-DX; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; . AUTHOR C.R.SIMMONS,C.L.MAGEE,J.P.ALLEN,J.C.CHAPUT . 69 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5296.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 44 63.8 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 . 11 15.9 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 . 1 1.4 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 . 5 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.4 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 1 0 0 0 0 1 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 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 5 A D > 0 0 134 0, 0.0 4,-0.6 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 134.0 32.4 2.7 -6.6 2 6 A D H > + 0 0 103 1,-0.2 4,-1.6 2,-0.2 3,-0.4 0.798 360.0 59.4 -76.9 -31.9 31.1 3.3 -3.1 3 7 A D H > S+ 0 0 66 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.815 103.4 55.4 -61.7 -32.0 30.0 -0.3 -2.2 4 8 A D H > S+ 0 0 89 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.745 101.1 56.4 -73.7 -25.6 33.6 -1.4 -2.8 5 9 A K H X S+ 0 0 119 -4,-0.6 4,-2.0 -3,-0.4 -1,-0.2 0.940 111.8 44.2 -66.3 -44.2 34.9 1.1 -0.3 6 10 A K H X S+ 0 0 53 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.944 115.1 47.8 -63.8 -49.4 32.5 -0.6 2.2 7 11 A T H X S+ 0 0 49 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.891 111.9 48.2 -62.6 -40.4 33.5 -4.1 1.1 8 12 A N H X S+ 0 0 101 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.865 112.0 50.7 -73.0 -31.2 37.2 -3.5 1.2 9 13 A W H X S+ 0 0 152 -4,-2.0 4,-3.4 2,-0.2 5,-0.2 0.931 111.7 46.2 -64.9 -44.3 36.9 -1.9 4.6 10 14 A L H X S+ 0 0 13 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.876 111.5 53.7 -68.2 -36.4 34.9 -4.8 6.0 11 15 A K H X S+ 0 0 122 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.959 114.3 40.6 -56.4 -55.8 37.5 -7.1 4.4 12 16 A R H X S+ 0 0 123 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.947 112.2 54.0 -61.2 -55.5 40.3 -5.3 6.1 13 17 A I H X S+ 0 0 39 -4,-3.4 4,-0.8 1,-0.2 -1,-0.2 0.892 111.4 47.8 -43.7 -45.9 38.5 -4.9 9.4 14 18 A Y H < S+ 0 0 63 -4,-2.2 13,-0.4 -5,-0.2 3,-0.3 0.926 115.0 44.1 -67.7 -42.0 37.9 -8.6 9.5 15 19 A R H < S+ 0 0 154 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.911 110.7 50.8 -70.1 -44.4 41.5 -9.6 8.6 16 20 A V H < S+ 0 0 72 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.1 0.551 105.8 52.1 -82.3 -8.1 43.4 -7.2 10.9 17 21 A R S < S- 0 0 162 -4,-0.8 10,-0.3 -3,-0.3 -1,-0.2 -0.798 73.1-171.2-132.7 95.0 41.7 -7.9 14.3 18 22 A P - 0 0 43 0, 0.0 7,-0.1 0, 0.0 -2,-0.0 0.245 49.4 -36.3 -64.5-174.5 41.6 -11.6 15.2 19 23 A C > - 0 0 2 6,-3.5 4,-1.4 1,-0.2 22,-0.2 -0.276 53.2-135.7 -46.5 124.3 39.7 -13.3 18.0 20 24 A V T 4 S+ 0 0 38 20,-2.6 -1,-0.2 1,-0.2 21,-0.1 0.665 99.8 41.4 -57.0 -14.5 39.8 -11.0 21.1 21 25 A K T 4 S+ 0 0 88 19,-0.2 -1,-0.2 36,-0.1 20,-0.1 0.884 124.8 23.7-105.6 -56.7 40.7 -14.2 23.2 22 26 A C T 4 S- 0 0 51 3,-0.1 -2,-0.1 1,-0.0 3,-0.1 0.602 89.5-147.5 -88.9 -12.4 43.1 -16.5 21.5 23 27 A K S < S+ 0 0 140 -4,-1.4 -3,-0.1 1,-0.2 -1,-0.0 0.418 79.2 60.0 64.7 0.3 44.4 -13.6 19.4 24 28 A V S S+ 0 0 123 2,-0.1 -1,-0.2 -7,-0.1 -4,-0.0 0.678 79.8 79.0-117.3 -59.9 45.3 -15.6 16.3 25 29 A A S S- 0 0 30 -7,-0.1 -6,-3.5 1,-0.1 17,-0.1 -0.105 85.7-111.4 -40.8 141.1 42.2 -17.3 14.9 26 30 A P - 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 -0.429 42.6 -90.2 -76.7 159.6 39.9 -15.0 12.9 27 31 A R - 0 0 33 -13,-0.4 15,-0.3 -10,-0.3 2,-0.2 -0.275 33.2-111.8 -72.4 154.6 36.5 -14.1 14.4 28 32 A D + 0 0 61 13,-1.6 11,-2.4 11,-0.1 2,-0.3 -0.532 47.3 164.0 -75.1 153.5 33.3 -15.9 13.9 29 33 A W E -A 38 0A 127 9,-0.3 2,-0.3 -2,-0.2 9,-0.2 -0.933 18.3-170.4-157.8 173.0 30.7 -13.9 11.9 30 34 A K E -A 37 0A 94 7,-1.6 7,-3.1 -2,-0.3 2,-0.5 -0.962 30.1 -99.1-167.1 164.7 27.5 -14.2 9.9 31 35 A V E -A 36 0A 79 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.797 18.0-168.1 -93.8 128.8 25.1 -12.3 7.6 32 36 A K E > -A 35 0A 77 3,-3.4 2,-2.4 -2,-0.5 3,-1.3 -0.582 54.5-101.5-105.8 63.0 22.0 -10.6 9.0 33 37 A N T 3 S+ 0 0 126 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 -0.293 118.6 27.3 48.2 -74.0 20.4 -9.9 5.6 34 38 A K T 3 S+ 0 0 92 -2,-2.4 31,-1.9 -3,-0.1 -1,-0.3 0.800 124.5 45.1 -77.2 -36.4 21.5 -6.2 5.6 35 39 A H E < -AB 32 64A 65 -3,-1.3 -3,-3.4 29,-0.2 2,-0.6 -0.749 67.7-129.1-120.9 160.2 24.6 -6.4 7.9 36 40 A L E -AB 31 63A 24 27,-3.0 27,-2.9 -2,-0.3 2,-0.7 -0.932 24.5-154.2-105.1 120.1 27.7 -8.4 8.6 37 41 A R E -AB 30 62A 38 -7,-3.1 -7,-1.6 -2,-0.6 2,-0.8 -0.881 5.1-163.7 -99.8 112.3 27.9 -9.4 12.3 38 42 A I E -AB 29 61A 6 23,-2.8 23,-1.6 -2,-0.7 -9,-0.3 -0.867 13.4-146.5 -95.8 107.8 31.5 -9.9 13.4 39 43 A F E - B 0 60A 57 -11,-2.4 21,-0.3 -2,-0.8 -11,-0.1 -0.380 18.3-120.6 -69.1 150.9 31.6 -11.9 16.7 40 44 A N S S+ 0 0 35 19,-3.0 -20,-2.6 17,-0.2 2,-0.3 0.834 90.9 37.3 -61.0 -34.0 34.3 -11.0 19.2 41 45 A M S S- 0 0 4 18,-0.3 -13,-1.6 -22,-0.2 -2,-0.1 -0.817 84.4-107.8-121.9 153.8 35.7 -14.6 19.3 42 46 A C > - 0 0 13 -2,-0.3 4,-1.7 -15,-0.3 -15,-0.1 -0.137 48.5-100.1 -64.5 176.6 36.3 -17.5 16.9 43 47 A K H > S+ 0 0 131 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.901 118.9 53.8 -75.4 -33.5 33.9 -20.3 17.4 44 48 A T H > S+ 0 0 111 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.961 111.8 43.1 -63.9 -51.8 36.3 -22.5 19.4 45 49 A C H > S+ 0 0 17 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.867 112.3 57.5 -61.1 -35.8 37.2 -19.9 22.0 46 50 A F H X S+ 0 0 78 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.981 110.2 39.4 -60.0 -56.9 33.5 -19.0 22.1 47 51 A N H X S+ 0 0 73 -4,-2.6 4,-2.2 1,-0.2 3,-0.3 0.913 116.1 53.5 -57.5 -42.3 32.3 -22.4 23.1 48 52 A N H X S+ 0 0 75 -4,-2.5 4,-2.5 -5,-0.3 5,-0.3 0.938 101.5 58.6 -55.6 -47.3 35.2 -22.8 25.4 49 53 A S H X>S+ 0 0 7 -4,-2.8 5,-2.7 1,-0.2 4,-0.9 0.866 106.2 50.1 -54.7 -35.1 34.4 -19.5 27.1 50 54 A I H ><5S+ 0 0 91 -4,-1.5 3,-0.6 -3,-0.3 -1,-0.2 0.945 108.6 50.8 -70.0 -46.5 31.1 -21.0 28.0 51 55 A D H 3<5S+ 0 0 136 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.849 114.3 44.0 -55.4 -37.1 32.6 -24.2 29.4 52 56 A I H 3<5S- 0 0 96 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.639 113.1-121.0 -88.4 -9.0 35.0 -22.2 31.6 53 57 A G T <<5 + 0 0 69 -4,-0.9 2,-0.5 -3,-0.6 -3,-0.2 0.860 64.9 135.8 76.6 39.1 32.2 -19.8 32.6 54 58 A D < + 0 0 49 -5,-2.7 3,-0.3 -6,-0.2 -1,-0.2 -0.955 24.4 171.8-121.0 114.9 33.7 -16.6 31.4 55 59 A D > + 0 0 117 -2,-0.5 3,-1.1 1,-0.2 -1,-0.1 0.257 45.8 111.6-105.6 16.6 31.5 -14.2 29.5 56 60 A T T 3 S+ 0 0 92 1,-0.2 -1,-0.2 -7,-0.1 -2,-0.0 0.827 83.8 39.7 -56.1 -36.1 34.0 -11.3 29.3 57 61 A Y T 3 S+ 0 0 86 -3,-0.3 -1,-0.2 -11,-0.1 -17,-0.2 0.446 82.9 126.3-102.1 4.3 34.5 -11.6 25.6 58 62 A H < + 0 0 72 -3,-1.1 2,-0.2 -18,-0.1 -3,-0.0 -0.394 44.4 72.3 -61.0 126.6 30.9 -12.3 24.5 59 63 A G - 0 0 33 -2,-0.2 -19,-3.0 -18,-0.1 -18,-0.3 -0.854 53.4-130.1 150.9 177.5 29.5 -9.9 21.9 60 64 A H E -B 39 0A 88 -21,-0.3 2,-0.4 -2,-0.2 -21,-0.2 -0.939 9.3-135.5-151.0 164.8 29.5 -8.7 18.3 61 65 A V E -B 38 0A 66 -23,-1.6 -23,-2.8 -2,-0.3 2,-0.4 -0.992 22.4-145.4-128.6 126.4 29.8 -5.6 16.0 62 66 A D E -B 37 0A 67 -2,-0.4 2,-0.5 -25,-0.2 -25,-0.2 -0.766 11.8-164.0 -92.6 135.1 27.3 -5.2 13.1 63 67 A W E -B 36 0A 82 -27,-2.9 -27,-3.0 -2,-0.4 2,-0.3 -0.972 23.1-124.4-119.5 124.1 28.5 -3.6 9.9 64 68 A L E -B 35 0A 47 -2,-0.5 -29,-0.2 -29,-0.2 -30,-0.0 -0.509 20.5-148.9 -57.0 123.4 26.2 -2.3 7.2 65 69 A M S S+ 0 0 47 -31,-1.9 2,-0.2 -2,-0.3 -1,-0.1 0.526 72.2 65.0 -80.0 -4.2 27.3 -4.2 4.1 66 70 A Y S S- 0 0 105 -32,-0.2 -63,-0.1 -60,-0.1 -2,-0.1 -0.703 77.3-130.0-115.9 165.2 26.4 -1.3 1.7 67 71 A A S S+ 0 0 48 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 0.715 93.5 55.9 -83.6 -23.6 27.7 2.2 1.2 68 72 A D 0 0 132 -3,-0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.926 360.0 360.0-119.9 135.6 24.2 3.6 1.3 69 73 A S 0 0 144 -2,-0.4 -2,-0.0 -3,-0.0 -5,-0.0 -0.474 360.0 360.0 -69.3 360.0 21.4 3.3 4.0