==== 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 3DGL . 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) . 5308.0 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 0 123 0, 0.0 4,-1.0 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 126.0 13.8 -31.1 6.8 2 6 A D H 3> + 0 0 102 1,-0.3 4,-1.7 2,-0.2 3,-0.2 0.826 360.0 60.8 -65.2 -32.8 12.8 -30.6 3.1 3 7 A D H 3> S+ 0 0 63 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.870 101.5 56.0 -58.8 -34.6 15.3 -27.8 2.6 4 8 A D H <> S+ 0 0 90 -3,-0.7 4,-2.8 1,-0.2 -1,-0.2 0.849 101.3 55.7 -67.3 -35.0 18.0 -30.3 3.4 5 9 A K H X S+ 0 0 121 -4,-1.0 4,-2.1 -3,-0.2 -1,-0.2 0.926 110.4 46.2 -60.0 -44.8 16.8 -32.6 0.7 6 10 A K H X S+ 0 0 53 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.951 113.0 48.6 -64.1 -49.8 17.2 -29.8 -1.8 7 11 A T H X S+ 0 0 50 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.921 111.7 49.2 -55.4 -47.5 20.7 -28.8 -0.5 8 12 A N H X S+ 0 0 105 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.881 111.1 50.4 -62.3 -39.2 21.9 -32.4 -0.6 9 13 A W H X S+ 0 0 157 -4,-2.1 4,-3.1 -5,-0.2 -1,-0.2 0.927 109.7 49.8 -63.2 -45.3 20.6 -32.8 -4.2 10 14 A L H X S+ 0 0 17 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.863 109.2 52.5 -65.3 -35.3 22.4 -29.6 -5.3 11 15 A K H X S+ 0 0 130 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.941 113.6 44.2 -60.4 -45.9 25.7 -30.8 -3.7 12 16 A R H X S+ 0 0 120 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.938 112.7 50.4 -63.7 -48.3 25.3 -34.0 -5.6 13 17 A I H X S+ 0 0 42 -4,-3.1 4,-1.1 1,-0.2 -2,-0.2 0.923 113.0 46.8 -58.2 -46.0 24.3 -32.3 -8.9 14 18 A Y H < S+ 0 0 64 -4,-2.4 13,-0.4 -5,-0.2 -1,-0.2 0.890 116.3 45.1 -63.6 -40.3 27.3 -30.0 -8.7 15 19 A R H < S+ 0 0 160 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.915 111.9 46.5 -71.2 -44.6 29.8 -32.8 -7.8 16 20 A V H < S+ 0 0 71 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.626 106.5 55.6 -87.0 -13.9 28.8 -35.5 -10.3 17 21 A R S < S- 0 0 169 -4,-1.1 10,-0.3 -5,-0.2 -1,-0.2 -0.867 73.9-172.9-120.4 95.1 28.6 -33.5 -13.5 18 22 A P - 0 0 42 0, 0.0 7,-0.1 0, 0.0 -3,-0.0 -0.071 46.8 -39.6 -75.2-178.0 31.9 -31.6 -14.1 19 23 A C > - 0 0 0 6,-3.5 4,-1.4 1,-0.2 22,-0.2 -0.111 51.3-135.6 -42.1 131.3 32.7 -29.0 -16.8 20 24 A V T 4 S+ 0 0 41 20,-2.3 -1,-0.2 37,-0.1 21,-0.1 0.663 100.0 43.7 -67.9 -16.6 31.1 -30.0 -20.2 21 25 A K T 4 S+ 0 0 90 19,-0.2 -1,-0.1 36,-0.1 20,-0.1 0.914 127.0 21.3 -96.5 -58.4 34.4 -29.1 -22.0 22 26 A C T 4 S- 0 0 52 3,-0.1 -2,-0.1 1,-0.0 19,-0.0 0.691 87.2-147.7 -86.3 -19.2 37.3 -30.5 -20.0 23 27 A K S < S+ 0 0 155 -4,-1.4 -3,-0.1 2,-0.1 18,-0.0 0.653 80.5 67.5 63.0 21.6 35.1 -33.1 -18.2 24 28 A V S S+ 0 0 125 1,-0.2 -1,-0.1 -7,-0.1 -4,-0.0 0.623 78.1 69.5-131.5 -56.1 37.2 -32.9 -15.1 25 29 A A S S- 0 0 31 -7,-0.1 -6,-3.5 1,-0.1 -1,-0.2 -0.397 85.3-105.8 -72.0 148.9 37.0 -29.5 -13.3 26 30 A P - 0 0 76 0, 0.0 17,-0.2 0, 0.0 -1,-0.1 -0.310 44.4 -93.9 -69.5 161.9 33.8 -28.4 -11.5 27 31 A R - 0 0 32 -13,-0.4 15,-0.3 -10,-0.3 13,-0.1 -0.371 31.0-110.4 -79.2 150.0 31.6 -25.8 -13.1 28 32 A D + 0 0 51 13,-2.5 11,-2.3 -2,-0.1 2,-0.3 -0.376 46.3 172.8 -66.2 160.1 31.6 -22.1 -12.5 29 33 A W E -A 38 0A 128 9,-0.2 2,-0.3 -2,-0.1 9,-0.2 -0.973 20.3-161.4-160.1 164.2 28.4 -20.9 -10.7 30 34 A K E -A 37 0A 84 7,-1.9 7,-3.2 -2,-0.3 2,-0.5 -0.977 23.6-120.3-151.3 158.4 26.8 -17.8 -9.0 31 35 A V E -A 36 0A 88 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.904 27.7-177.2-106.4 132.0 24.0 -17.2 -6.6 32 36 A K E > -A 35 0A 83 3,-3.0 3,-2.2 -2,-0.5 2,-0.2 -0.952 58.1 -57.8-139.0 99.4 21.3 -15.1 -7.9 33 37 A N T 3 S- 0 0 104 -2,-0.5 0, 0.0 1,-0.3 0, 0.0 -0.395 121.6 -17.3 54.4-117.0 18.5 -14.3 -5.5 34 38 A K T 3 S+ 0 0 122 -2,-0.2 31,-2.6 -3,-0.1 2,-0.3 0.241 124.6 90.1 -99.4 17.6 17.1 -17.6 -4.3 35 39 A H E < -AB 32 64A 66 -3,-2.2 -3,-3.0 29,-0.2 2,-0.6 -0.864 64.7-143.4-119.3 146.9 18.6 -19.5 -7.2 36 40 A L E -AB 31 63A 22 27,-2.9 27,-2.2 -2,-0.3 2,-0.7 -0.941 17.0-155.6-101.8 119.4 21.9 -21.2 -7.9 37 41 A R E -AB 30 62A 39 -7,-3.2 -7,-1.9 -2,-0.6 2,-0.7 -0.876 6.1-166.1 -96.3 116.4 23.1 -20.7 -11.5 38 42 A I E -AB 29 61A 7 23,-2.8 23,-2.3 -2,-0.7 -9,-0.2 -0.927 12.9-147.1-102.3 114.5 25.5 -23.5 -12.5 39 43 A Y E - B 0 60A 65 -11,-2.3 21,-0.3 -2,-0.7 19,-0.1 -0.428 20.0-117.8 -77.5 160.1 27.3 -22.6 -15.7 40 44 A N S S+ 0 0 37 19,-2.1 -20,-2.3 17,-0.2 2,-0.3 0.778 90.1 42.8 -74.1 -26.4 28.1 -25.3 -18.2 41 45 A M S S- 0 0 7 18,-0.3 -13,-2.5 -22,-0.2 -2,-0.2 -0.791 82.2-109.1-117.9 159.4 31.9 -24.9 -18.0 42 46 A C > - 0 0 8 -15,-0.3 4,-2.2 -2,-0.3 -15,-0.2 -0.300 45.8-103.6 -68.0 167.1 34.7 -24.3 -15.4 43 47 A K H > S+ 0 0 105 -17,-0.2 4,-3.0 2,-0.2 5,-0.3 0.901 119.6 56.5 -65.4 -41.1 36.2 -20.8 -15.6 44 48 A T H > S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.944 112.0 41.1 -55.5 -50.0 39.4 -22.0 -17.3 45 49 A C H > S+ 0 0 17 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.879 114.1 53.3 -70.1 -36.5 37.4 -23.6 -20.2 46 50 A F H X S+ 0 0 73 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.956 109.6 46.7 -61.9 -51.0 35.0 -20.6 -20.4 47 51 A N H X S+ 0 0 80 -4,-3.0 4,-1.7 1,-0.2 3,-0.4 0.931 113.5 50.2 -55.5 -44.4 37.8 -18.1 -20.7 48 52 A N H X S+ 0 0 72 -4,-2.2 4,-2.5 -5,-0.3 5,-0.2 0.883 103.4 59.3 -61.7 -38.0 39.4 -20.3 -23.3 49 53 A S H X>S+ 0 0 7 -4,-2.4 5,-1.9 1,-0.2 4,-1.0 0.845 104.9 50.6 -61.5 -33.8 36.1 -20.5 -25.3 50 54 A I H <5S+ 0 0 92 -4,-1.5 3,-0.3 -3,-0.4 -1,-0.2 0.935 110.4 49.2 -66.2 -45.1 36.1 -16.8 -25.6 51 55 A D H <5S+ 0 0 135 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.863 116.6 41.1 -61.6 -39.6 39.8 -16.8 -26.9 52 56 A I H <5S- 0 0 97 -4,-2.5 -1,-0.2 2,-0.1 -2,-0.2 0.620 110.3-121.0 -88.3 -11.9 39.0 -19.6 -29.5 53 57 A G T <5 + 0 0 62 -4,-1.0 2,-0.6 -3,-0.3 -3,-0.2 0.769 61.4 141.8 78.5 28.8 35.6 -18.1 -30.5 54 58 A D < + 0 0 49 -5,-1.9 -1,-0.2 -6,-0.2 3,-0.2 -0.912 24.1 172.5-106.2 120.3 33.4 -21.1 -29.6 55 59 A D > + 0 0 113 -2,-0.6 3,-1.6 1,-0.1 -1,-0.1 0.386 53.2 105.1 -95.8 -1.8 30.0 -20.4 -28.1 56 60 A T T 3 S+ 0 0 97 1,-0.3 -1,-0.1 -7,-0.1 -2,-0.0 0.851 85.5 36.7 -49.7 -44.8 28.9 -24.1 -28.3 57 61 A Y T 3 S+ 0 0 90 -3,-0.2 -1,-0.3 -11,-0.0 -17,-0.2 0.357 87.5 119.8 -97.7 5.8 29.3 -24.8 -24.6 58 62 A H < + 0 0 62 -3,-1.6 2,-0.3 -18,-0.1 -3,-0.0 -0.485 44.7 82.2 -67.0 137.2 28.1 -21.5 -23.3 59 63 A G - 0 0 30 -2,-0.2 -19,-2.1 -18,-0.1 -18,-0.3 -0.896 51.2-138.2 154.0-174.7 25.0 -21.8 -21.1 60 64 A H E -B 39 0A 82 -21,-0.3 2,-0.4 -2,-0.3 -21,-0.2 -0.983 9.6-134.7-165.5 162.7 23.7 -22.5 -17.6 61 65 A V E -B 38 0A 67 -23,-2.3 -23,-2.8 -2,-0.3 2,-0.3 -0.996 22.7-146.2-131.4 128.0 21.1 -24.3 -15.5 62 66 A D E -B 37 0A 63 -2,-0.4 2,-0.4 -25,-0.2 -25,-0.2 -0.744 12.8-164.9 -96.4 143.6 19.4 -22.4 -12.6 63 67 A W E -B 36 0A 84 -27,-2.2 -27,-2.9 -2,-0.3 2,-0.4 -0.988 23.9-122.9-131.6 131.1 18.3 -24.2 -9.5 64 68 A L E -B 35 0A 39 -2,-0.4 -29,-0.2 -29,-0.2 5,-0.0 -0.631 21.7-150.6 -67.5 127.5 15.9 -23.1 -6.7 65 69 A M S S+ 0 0 40 -31,-2.6 2,-0.3 -2,-0.4 -1,-0.1 0.528 72.3 58.0 -84.1 -5.7 18.0 -23.4 -3.5 66 70 A Y S S- 0 0 118 -32,-0.3 -63,-0.1 -60,-0.1 -2,-0.1 -0.783 80.9-123.0-122.8 164.1 15.1 -24.1 -1.2 67 71 A A S S+ 0 0 44 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 0.764 91.2 64.9 -78.7 -27.8 12.4 -26.8 -1.1 68 72 A D 0 0 144 1,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.886 360.0 360.0-110.9 122.6 9.4 -24.6 -1.2 69 73 A S 0 0 142 -2,-0.6 -1,-0.1 -5,-0.0 -2,-0.0 0.690 360.0 360.0 -67.1 360.0 8.5 -22.4 -4.2