==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 13-JUN-08 3DGM . COMPND 2 MOLECULE: ATP BINDING PROTEIN-DX; . SOURCE 2 ORGANISM_SCIENTIFIC: UNIDENTIFIED; . AUTHOR C.R.SIMMONS,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) . 5299.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 45 65.2 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 . 6 8.7 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 0 133 0, 0.0 4,-1.1 0, 0.0 3,-1.0 0.000 360.0 360.0 360.0 118.0 -13.9 30.8 34.2 2 6 A D H 3> + 0 0 103 1,-0.3 4,-1.9 2,-0.2 3,-0.2 0.825 360.0 62.9 -60.5 -35.2 -12.9 30.3 30.5 3 7 A D H 3> S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.841 101.1 53.8 -57.7 -32.9 -15.4 27.5 30.0 4 8 A D H <> S+ 0 0 91 -3,-1.0 4,-3.0 2,-0.2 -1,-0.2 0.847 102.9 56.4 -69.3 -34.5 -18.2 30.0 30.7 5 9 A K H X S+ 0 0 123 -4,-1.1 4,-2.1 -3,-0.2 -2,-0.2 0.952 110.2 44.8 -59.1 -50.9 -16.8 32.3 28.0 6 10 A K H X S+ 0 0 55 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.953 114.9 48.7 -56.7 -50.0 -17.2 29.4 25.5 7 11 A T H X S+ 0 0 53 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.913 111.3 48.2 -60.8 -46.0 -20.7 28.5 26.7 8 12 A N H X S+ 0 0 101 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.827 111.1 50.7 -66.3 -35.4 -22.0 32.1 26.6 9 13 A W H X S+ 0 0 161 -4,-2.1 4,-2.9 -5,-0.2 -1,-0.2 0.872 109.9 51.0 -63.8 -41.5 -20.6 32.6 23.1 10 14 A L H X S+ 0 0 15 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.880 110.9 48.4 -64.2 -39.7 -22.3 29.3 22.0 11 15 A K H X S+ 0 0 139 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.928 113.9 46.2 -66.0 -45.3 -25.7 30.5 23.5 12 16 A R H X S+ 0 0 117 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.956 113.0 50.0 -59.2 -50.8 -25.4 33.9 21.8 13 17 A I H X S+ 0 0 42 -4,-2.9 4,-0.9 1,-0.2 -2,-0.2 0.898 113.1 46.1 -51.5 -47.7 -24.4 32.2 18.4 14 18 A Y H < S+ 0 0 66 -4,-2.2 13,-0.4 1,-0.2 -1,-0.2 0.872 115.8 47.3 -63.7 -38.6 -27.3 29.8 18.6 15 19 A R H < S+ 0 0 166 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.907 110.7 46.5 -73.6 -45.8 -29.8 32.7 19.5 16 20 A V H < S+ 0 0 66 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.1 0.581 105.7 56.7 -86.2 -12.3 -28.9 35.4 17.0 17 21 A R S < S- 0 0 167 -4,-0.9 10,-0.3 -5,-0.2 -1,-0.2 -0.875 72.3-170.5-122.1 96.7 -28.7 33.4 13.7 18 22 A P - 0 0 44 0, 0.0 7,-0.1 0, 0.0 -3,-0.0 -0.026 49.0 -41.6 -67.6 175.2 -32.1 31.5 13.1 19 23 A C > - 0 0 1 6,-3.6 4,-1.3 1,-0.2 22,-0.2 -0.115 51.9-134.4 -39.7 131.6 -32.7 28.9 10.4 20 24 A V T 4 S+ 0 0 39 20,-2.7 -1,-0.2 2,-0.1 21,-0.1 0.629 101.1 42.6 -66.9 -15.1 -31.0 29.9 7.1 21 25 A K T 4 S+ 0 0 89 19,-0.2 -1,-0.1 36,-0.1 20,-0.1 0.866 128.2 21.3-101.7 -54.9 -34.2 29.0 5.1 22 26 A C T 4 S- 0 0 49 3,-0.1 -2,-0.1 1,-0.0 19,-0.1 0.700 86.0-149.8 -89.6 -17.0 -37.2 30.3 7.1 23 27 A K S < S+ 0 0 149 -4,-1.3 -3,-0.1 1,-0.1 -1,-0.0 0.546 80.3 69.7 63.7 7.9 -35.0 32.9 9.0 24 28 A V S S+ 0 0 126 2,-0.1 -1,-0.1 -7,-0.1 -4,-0.0 0.723 77.6 70.0-117.5 -59.5 -37.4 32.6 12.0 25 29 A A S S- 0 0 30 -7,-0.1 -6,-3.6 1,-0.1 -2,-0.1 -0.229 86.3-105.4 -64.9 145.9 -37.1 29.2 13.8 26 30 A P - 0 0 78 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.325 46.1 -94.2 -62.0 158.7 -34.0 28.3 15.7 27 31 A R - 0 0 35 -13,-0.4 15,-0.3 -10,-0.3 13,-0.1 -0.406 32.1-111.2 -73.4 147.9 -31.6 25.8 14.1 28 32 A D + 0 0 48 13,-2.5 11,-1.8 -2,-0.1 2,-0.3 -0.398 46.1 173.0 -65.5 159.4 -31.5 22.0 14.6 29 33 A W E -A 38 0A 127 9,-0.2 2,-0.3 -2,-0.1 9,-0.2 -0.967 18.2-163.7-162.9 160.2 -28.4 20.8 16.5 30 34 A K E -A 37 0A 86 7,-2.0 7,-3.0 -2,-0.3 2,-0.5 -0.979 28.3-109.8-151.3 159.7 -26.8 17.8 18.1 31 35 A V E -A 36 0A 84 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.831 29.8-175.2 -88.9 130.0 -24.0 16.9 20.5 32 36 A K E > -A 35 0A 81 3,-2.8 3,-2.2 -2,-0.5 2,-0.6 -0.872 59.4 -68.5-134.1 86.8 -21.1 15.1 18.7 33 37 A N T 3 S- 0 0 116 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.443 119.1 -13.4 57.9-102.4 -18.5 14.0 21.3 34 38 A K T 3 S+ 0 0 101 -2,-0.6 31,-2.7 -3,-0.1 2,-0.3 0.283 124.3 88.1-110.0 16.2 -17.1 17.3 22.6 35 39 A H E < -AB 32 64A 57 -3,-2.2 -3,-2.8 29,-0.2 2,-0.6 -0.841 67.3-140.1-111.1 145.5 -18.6 19.4 19.8 36 40 A L E -AB 31 63A 24 27,-3.0 27,-2.6 -2,-0.3 2,-0.6 -0.920 19.8-154.5 -95.0 122.3 -21.9 21.2 19.4 37 41 A R E -AB 30 62A 35 -7,-3.0 -7,-2.0 -2,-0.6 2,-0.7 -0.916 7.2-167.0 -97.2 115.6 -23.0 20.7 15.8 38 42 A I E -AB 29 61A 7 23,-2.6 23,-1.8 -2,-0.6 -9,-0.2 -0.935 12.7-148.3-104.2 112.1 -25.4 23.5 14.8 39 43 A Y E - B 0 60A 58 -11,-1.8 21,-0.3 -2,-0.7 19,-0.1 -0.398 19.6-119.3 -73.6 157.1 -27.1 22.6 11.5 40 44 A N S S+ 0 0 35 19,-2.5 -20,-2.7 17,-0.2 2,-0.3 0.759 90.1 46.7 -67.7 -28.2 -28.0 25.4 9.1 41 45 A M S S- 0 0 7 18,-0.3 -13,-2.5 -22,-0.2 -2,-0.2 -0.794 82.3-111.6-117.5 155.3 -31.8 24.8 9.2 42 46 A C > - 0 0 10 -15,-0.3 4,-2.4 -2,-0.3 5,-0.1 -0.269 46.0-103.8 -66.3 170.8 -34.5 24.1 11.7 43 47 A K H > S+ 0 0 101 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.933 119.9 55.1 -69.6 -41.3 -35.9 20.5 11.5 44 48 A T H > S+ 0 0 111 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.901 112.8 42.7 -57.2 -46.0 -39.1 21.5 9.7 45 49 A C H > S+ 0 0 18 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.885 113.5 52.9 -70.8 -39.1 -37.1 23.3 6.9 46 50 A F H X S+ 0 0 75 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.950 110.8 45.1 -56.3 -55.3 -34.6 20.4 6.7 47 51 A N H X S+ 0 0 81 -4,-3.1 4,-1.6 1,-0.2 3,-0.5 0.912 113.4 52.4 -53.9 -44.3 -37.3 17.8 6.3 48 52 A N H X S+ 0 0 74 -4,-2.0 4,-2.4 -5,-0.3 5,-0.3 0.902 102.0 58.0 -60.9 -42.6 -38.9 20.0 3.7 49 53 A S H X>S+ 0 0 7 -4,-2.6 5,-2.5 1,-0.2 4,-0.8 0.792 104.6 53.2 -60.5 -29.8 -35.7 20.4 1.7 50 54 A I H <5S+ 0 0 96 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.907 110.2 47.4 -69.1 -43.8 -35.6 16.6 1.3 51 55 A D H <5S+ 0 0 134 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.891 115.6 42.8 -64.9 -40.9 -39.1 16.6 -0.0 52 56 A I H <5S- 0 0 101 -4,-2.4 -1,-0.2 2,-0.1 -2,-0.2 0.635 111.7-120.3 -81.3 -11.6 -38.6 19.5 -2.5 53 57 A G T <5 + 0 0 68 -4,-0.8 2,-0.6 -5,-0.3 -3,-0.2 0.803 63.5 141.0 79.6 31.6 -35.2 18.0 -3.6 54 58 A D < + 0 0 48 -5,-2.5 3,-0.2 -6,-0.2 -1,-0.2 -0.915 23.9 169.2-111.8 118.4 -33.0 21.1 -2.5 55 59 A D > + 0 0 113 -2,-0.6 3,-1.2 1,-0.1 -1,-0.1 0.325 49.1 108.6-102.5 12.0 -29.7 20.6 -0.9 56 60 A T T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -7,-0.1 -2,-0.0 0.868 86.5 36.0 -52.7 -45.4 -28.6 24.2 -1.2 57 61 A Y T 3 S+ 0 0 95 -3,-0.2 -1,-0.3 -11,-0.0 -17,-0.2 0.318 86.5 123.2 -97.5 2.8 -28.9 24.9 2.6 58 62 A H < + 0 0 67 -3,-1.2 2,-0.2 -18,-0.1 -3,-0.0 -0.364 44.2 78.6 -58.5 142.1 -27.7 21.5 3.8 59 63 A G - 0 0 34 -18,-0.1 -19,-2.5 -2,-0.1 -18,-0.3 -0.802 50.4-144.5 141.7 179.2 -24.7 21.8 6.2 60 64 A H E -B 39 0A 78 -21,-0.3 2,-0.4 -2,-0.2 -21,-0.2 -0.945 13.5-127.2-165.4 170.4 -23.6 22.6 9.7 61 65 A V E -B 38 0A 69 -23,-1.8 -23,-2.6 -2,-0.3 2,-0.4 -0.978 22.2-144.0-137.6 124.4 -20.8 24.2 11.8 62 66 A D E -B 37 0A 63 -2,-0.4 2,-0.4 -25,-0.2 -25,-0.2 -0.749 14.6-164.0 -89.1 137.8 -19.2 22.2 14.7 63 67 A W E -B 36 0A 81 -27,-2.6 -27,-3.0 -2,-0.4 2,-0.2 -0.981 23.3-120.8-128.9 124.5 -18.1 24.1 17.8 64 68 A L E -B 35 0A 40 -2,-0.4 -29,-0.2 -29,-0.2 5,-0.1 -0.492 20.4-150.4 -59.3 128.0 -15.7 22.9 20.6 65 69 A M S S+ 0 0 43 -31,-2.7 2,-0.2 -2,-0.2 -1,-0.1 0.692 72.1 62.0 -81.1 -15.1 -17.8 23.0 23.7 66 70 A Y S S- 0 0 109 -32,-0.3 -63,-0.1 -60,-0.1 -2,-0.1 -0.693 78.8-126.9-109.6 157.0 -14.8 23.7 26.1 67 71 A A S S+ 0 0 45 -2,-0.2 2,-0.6 1,-0.1 -1,-0.1 0.780 95.4 58.1 -68.8 -32.8 -12.3 26.6 26.4 68 72 A D 0 0 141 1,-0.2 -1,-0.1 -3,-0.0 -2,-0.1 -0.906 360.0 360.0-113.3 117.9 -9.3 24.3 26.1 69 73 A S 0 0 141 -2,-0.6 -1,-0.2 -5,-0.1 -2,-0.1 0.900 360.0 360.0 -80.1 360.0 -8.7 22.0 23.2