==== 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 3LTB . 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) . 5318.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 46 66.7 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 . 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 . 7 10.1 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,-0.8 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 133.7 13.9 -30.2 7.0 2 6 A D H 3> + 0 0 103 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.800 360.0 61.0 -67.7 -35.3 12.8 -29.6 3.3 3 7 A D H 3> S+ 0 0 62 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.862 103.1 55.3 -56.4 -34.7 15.2 -26.7 2.5 4 8 A D H <> S+ 0 0 92 -3,-0.7 4,-2.7 2,-0.2 -1,-0.2 0.806 101.6 55.9 -68.4 -34.2 18.1 -29.2 3.2 5 9 A K H X S+ 0 0 121 -4,-0.8 4,-2.3 -3,-0.3 -1,-0.2 0.952 111.4 44.4 -59.6 -48.5 16.7 -31.6 0.7 6 10 A K H X S+ 0 0 55 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.973 114.8 48.1 -60.4 -53.7 16.9 -28.8 -1.9 7 11 A T H X S+ 0 0 48 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.873 111.7 49.5 -52.5 -41.6 20.4 -27.8 -0.7 8 12 A N H X S+ 0 0 107 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.892 110.2 50.5 -73.1 -36.5 21.7 -31.4 -0.8 9 13 A W H X S+ 0 0 160 -4,-2.3 4,-3.3 -5,-0.2 5,-0.2 0.932 111.2 48.9 -60.0 -47.2 20.3 -32.0 -4.3 10 14 A L H X S+ 0 0 13 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.930 109.3 51.9 -60.3 -42.2 22.0 -28.7 -5.5 11 15 A K H X S+ 0 0 139 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.957 115.4 43.3 -60.7 -44.7 25.3 -29.8 -3.9 12 16 A R H X S+ 0 0 120 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.914 111.3 52.1 -63.0 -49.4 25.0 -33.1 -5.7 13 17 A I H X S+ 0 0 40 -4,-3.3 4,-1.1 1,-0.2 -1,-0.2 0.929 112.7 46.7 -51.7 -46.2 23.9 -31.6 -9.1 14 18 A Y H < S+ 0 0 65 -4,-2.5 13,-0.4 -5,-0.2 -1,-0.2 0.874 114.8 48.3 -65.8 -35.8 26.9 -29.3 -9.0 15 19 A R H < S+ 0 0 158 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.905 110.8 43.8 -75.7 -44.7 29.3 -32.1 -8.1 16 20 A V H < S+ 0 0 76 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.1 0.624 106.3 60.4 -86.0 -12.7 28.4 -34.9 -10.5 17 21 A R S < S- 0 0 171 -4,-1.1 10,-0.3 -5,-0.3 -1,-0.2 -0.839 72.1-170.3-116.5 98.2 28.1 -32.8 -13.7 18 22 A P - 0 0 46 0, 0.0 7,-0.1 0, 0.0 5,-0.1 -0.153 46.2 -45.7 -76.7 171.5 31.4 -31.1 -14.6 19 23 A C > - 0 0 1 6,-3.0 4,-1.7 1,-0.2 22,-0.2 -0.040 51.5-134.5 -33.8 129.6 32.0 -28.4 -17.2 20 24 A V T 4 S+ 0 0 35 20,-2.9 -1,-0.2 2,-0.2 21,-0.1 0.726 99.2 44.0 -65.3 -22.0 30.4 -29.5 -20.5 21 25 A K T 4 S+ 0 0 90 19,-0.2 -1,-0.2 36,-0.1 20,-0.1 0.929 127.9 20.6 -92.1 -54.1 33.5 -28.6 -22.5 22 26 A C T 4 S- 0 0 50 3,-0.1 -2,-0.2 20,-0.0 -3,-0.1 0.561 85.7-147.8 -93.3 -11.2 36.5 -29.9 -20.6 23 27 A K S < S+ 0 0 146 -4,-1.7 -3,-0.1 1,-0.2 18,-0.0 0.576 81.4 65.7 59.9 7.1 34.5 -32.5 -18.5 24 28 A V S S+ 0 0 123 2,-0.1 -1,-0.2 -7,-0.1 -4,-0.0 0.667 79.0 70.9-121.5 -58.5 36.8 -32.1 -15.5 25 29 A A S S- 0 0 34 -7,-0.1 -6,-3.0 1,-0.1 17,-0.1 -0.194 85.9-111.8 -58.6 149.3 36.6 -28.6 -13.9 26 30 A P - 0 0 76 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.431 43.5 -89.1 -77.5 166.7 33.4 -27.9 -12.1 27 31 A R - 0 0 33 -13,-0.4 15,-0.3 -10,-0.3 13,-0.1 -0.377 31.4-112.6 -81.3 154.0 31.1 -25.3 -13.6 28 32 A D + 0 0 43 13,-2.1 11,-1.8 -2,-0.1 2,-0.3 -0.360 44.8 169.0 -67.6 162.4 31.0 -21.5 -13.0 29 33 A W E -A 38 0A 127 9,-0.2 2,-0.3 -2,-0.1 9,-0.2 -0.968 19.1-159.1-164.9 165.2 27.9 -20.3 -11.2 30 34 A K E -A 37 0A 88 7,-1.8 7,-2.8 -2,-0.3 2,-0.5 -0.983 27.0-111.0-151.9 158.7 26.4 -17.2 -9.5 31 35 A V E -A 36 0A 82 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.854 30.5-173.9 -91.6 129.3 23.8 -16.4 -7.0 32 36 A K E > -A 35 0A 82 3,-3.2 3,-1.9 -2,-0.5 2,-0.8 -0.844 57.1 -68.7-132.8 85.4 20.9 -14.5 -8.6 33 37 A N T 3 S- 0 0 117 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.519 118.9 -15.0 58.9-101.1 18.3 -13.3 -6.0 34 38 A K T 3 S+ 0 0 110 -2,-0.8 31,-2.7 -3,-0.1 2,-0.3 0.203 125.6 85.1-114.2 15.1 16.8 -16.7 -4.8 35 39 A H E < -AB 32 64A 60 -3,-1.9 -3,-3.2 29,-0.2 2,-0.6 -0.865 67.0-141.5-112.3 149.9 18.2 -18.7 -7.6 36 40 A L E -AB 31 63A 24 27,-2.9 27,-2.0 -2,-0.3 2,-0.7 -0.967 18.6-152.1-104.3 119.1 21.5 -20.4 -8.2 37 41 A R E -AB 30 62A 39 -7,-2.8 -7,-1.8 -2,-0.6 2,-0.7 -0.835 6.8-164.1 -93.0 115.6 22.6 -20.1 -11.8 38 42 A I E -AB 29 61A 5 23,-2.9 23,-2.3 -2,-0.7 -9,-0.2 -0.909 12.5-147.2-100.2 113.3 24.9 -23.0 -12.9 39 43 A Y E - B 0 60A 56 -11,-1.8 21,-0.3 -2,-0.7 19,-0.1 -0.425 17.9-122.8 -73.8 150.9 26.7 -22.1 -16.1 40 44 A N S S+ 0 0 32 19,-1.9 -20,-2.9 17,-0.2 2,-0.3 0.778 90.7 46.4 -64.7 -27.6 27.4 -25.0 -18.5 41 45 A M S S- 0 0 7 18,-0.4 -13,-2.1 -22,-0.2 -2,-0.1 -0.833 82.4-114.3-116.9 154.8 31.2 -24.3 -18.5 42 46 A C > - 0 0 9 -15,-0.3 4,-1.9 -2,-0.3 -15,-0.1 -0.276 46.6-101.5 -66.4 170.5 34.0 -23.6 -16.0 43 47 A K H > S+ 0 0 102 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.884 119.5 55.8 -66.9 -38.4 35.4 -20.1 -16.3 44 48 A T H > S+ 0 0 112 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.937 112.0 42.3 -62.1 -44.8 38.5 -21.1 -18.2 45 49 A C H > S+ 0 0 16 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.865 112.9 54.1 -72.9 -34.5 36.5 -22.8 -20.9 46 50 A F H X S+ 0 0 75 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.971 111.6 43.0 -58.9 -56.6 34.0 -20.0 -21.1 47 51 A N H X S+ 0 0 80 -4,-2.7 4,-1.7 1,-0.2 3,-0.4 0.877 113.8 54.8 -57.3 -38.0 36.7 -17.3 -21.6 48 52 A N H X S+ 0 0 74 -4,-2.1 4,-2.4 -5,-0.3 5,-0.3 0.951 102.2 55.3 -60.3 -47.1 38.4 -19.7 -24.0 49 53 A S H X>S+ 0 0 8 -4,-2.5 5,-2.2 1,-0.3 4,-0.5 0.741 105.3 52.9 -60.1 -25.8 35.2 -20.1 -26.1 50 54 A I H <5S+ 0 0 95 -4,-1.1 3,-0.5 -3,-0.4 -1,-0.3 0.913 110.2 48.9 -73.8 -43.3 35.0 -16.3 -26.6 51 55 A D H <5S+ 0 0 135 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.878 115.9 40.9 -59.6 -41.3 38.6 -16.4 -27.8 52 56 A I H <5S- 0 0 98 -4,-2.4 -1,-0.2 2,-0.1 -2,-0.2 0.541 111.7-120.7 -89.4 -4.2 38.0 -19.2 -30.3 53 57 A G T <5 + 0 0 66 -4,-0.5 2,-0.6 -3,-0.5 -3,-0.2 0.795 63.6 140.7 72.3 29.8 34.6 -17.7 -31.3 54 58 A D < + 0 0 50 -5,-2.2 3,-0.2 -6,-0.2 -1,-0.2 -0.908 22.3 168.5-107.7 121.3 32.5 -20.8 -30.3 55 59 A D > + 0 0 113 -2,-0.6 3,-1.5 1,-0.1 -1,-0.1 0.379 47.9 108.2-107.0 7.7 29.2 -20.2 -28.6 56 60 A T T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -7,-0.1 -2,-0.0 0.794 85.6 38.2 -47.8 -41.5 27.9 -23.8 -28.9 57 61 A Y T 3 S+ 0 0 96 -3,-0.2 -1,-0.3 -11,-0.1 -17,-0.2 0.353 84.7 124.0-101.7 4.2 28.3 -24.5 -25.1 58 62 A H < + 0 0 71 -3,-1.5 2,-0.3 -18,-0.1 -3,-0.0 -0.353 42.7 81.8 -57.6 141.9 27.1 -21.1 -23.9 59 63 A G - 0 0 33 -18,-0.1 -19,-1.9 2,-0.0 -18,-0.4 -0.889 49.8-141.5 148.5-175.3 24.2 -21.4 -21.4 60 64 A H E -B 39 0A 83 -21,-0.3 2,-0.4 -2,-0.3 -21,-0.3 -0.975 12.3-130.0-167.8 164.2 23.1 -22.0 -17.8 61 65 A V E -B 38 0A 67 -23,-2.3 -23,-2.9 -2,-0.3 2,-0.3 -0.977 21.8-146.9-132.2 121.6 20.5 -23.7 -15.6 62 66 A D E -B 37 0A 63 -2,-0.4 2,-0.4 -25,-0.3 -25,-0.2 -0.688 12.9-165.3 -84.1 141.6 18.8 -21.7 -12.8 63 67 A W E -B 36 0A 82 -27,-2.0 -27,-2.9 -2,-0.3 2,-0.2 -0.993 22.9-124.2-131.5 125.3 17.8 -23.5 -9.6 64 68 A L E -B 35 0A 44 -2,-0.4 -29,-0.2 -29,-0.2 5,-0.0 -0.531 20.1-149.3 -67.4 130.3 15.5 -22.2 -6.9 65 69 A M S S+ 0 0 51 -31,-2.7 2,-0.3 -2,-0.2 -1,-0.1 0.545 71.1 67.7 -84.1 -6.0 17.5 -22.4 -3.7 66 70 A Y S S- 0 0 110 -32,-0.3 -63,-0.1 -60,-0.1 -2,-0.1 -0.747 76.4-130.9-111.3 161.1 14.6 -23.0 -1.4 67 71 A A S S+ 0 0 46 -2,-0.3 2,-0.5 1,-0.1 -1,-0.1 0.802 93.2 53.7 -74.9 -32.7 12.1 -25.9 -1.0 68 72 A D 0 0 139 1,-0.2 -1,-0.1 -3,-0.0 -2,-0.0 -0.906 360.0 360.0-113.2 125.9 9.1 -23.7 -1.1 69 73 A S 0 0 142 -2,-0.5 -1,-0.2 -5,-0.0 -2,-0.0 0.767 360.0 360.0 -90.5 360.0 8.2 -21.1 -3.8