==== 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 3DGO . 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) . 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 . 5 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 7.2 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 0 128 0, 0.0 4,-0.8 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 132.1 -13.8 29.7 6.8 2 6 A D H >> + 0 0 105 1,-0.2 4,-1.6 2,-0.2 3,-0.6 0.824 360.0 58.0 -69.6 -35.3 -12.7 29.0 3.2 3 7 A D H 3> S+ 0 0 67 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.787 104.5 55.5 -61.5 -30.1 -15.2 26.2 2.3 4 8 A D H <> S+ 0 0 93 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.758 101.7 55.0 -73.7 -28.4 -18.0 28.7 3.1 5 9 A K H - 0 0 0 6,-3.6 4,-1.7 1,-0.2 22,-0.2 -0.096 53.8-133.7 -35.2 121.7 -31.7 28.0 -17.6 20 24 A V T 4 S+ 0 0 39 20,-2.9 -1,-0.2 1,-0.2 21,-0.1 0.661 100.2 43.8 -55.7 -16.2 -29.9 29.3 -20.8 21 25 A K T 4 S+ 0 0 85 19,-0.2 -1,-0.2 4,-0.1 20,-0.1 0.887 123.4 24.9-102.0 -57.4 -33.1 28.5 -22.8 22 26 A C T 4 S- 0 0 49 3,-0.1 -2,-0.1 1,-0.0 -3,-0.1 0.625 88.4-147.8 -85.5 -12.9 -36.2 29.6 -21.0 23 27 A K S < S+ 0 0 143 -4,-1.7 -3,-0.1 1,-0.2 -1,-0.0 0.525 81.2 63.5 67.1 4.2 -34.2 32.2 -19.2 24 28 A V S S+ 0 0 121 2,-0.1 -1,-0.2 -7,-0.1 -4,-0.0 0.707 79.3 72.3-124.0 -56.4 -36.4 31.9 -16.1 25 29 A A S S- 0 0 33 -7,-0.1 -6,-3.6 1,-0.1 17,-0.1 -0.326 85.8-109.7 -61.0 145.9 -36.3 28.4 -14.5 26 30 A P - 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 -0.377 43.9 -88.3 -76.0 164.4 -33.1 27.5 -12.6 27 31 A R - 0 0 34 -13,-0.4 15,-0.3 -10,-0.3 13,-0.1 -0.314 32.7-111.2 -77.1 153.2 -30.7 24.9 -14.0 28 32 A D + 0 0 44 13,-2.1 11,-2.3 10,-0.1 2,-0.3 -0.372 45.2 173.6 -65.6 162.1 -30.7 21.2 -13.6 29 33 A W E -A 38 0A 126 9,-0.3 2,-0.3 -2,-0.1 9,-0.2 -0.983 18.7-162.3-166.2 155.3 -27.7 19.9 -11.5 30 34 A K E -A 37 0A 99 7,-2.1 7,-2.8 -2,-0.3 2,-0.4 -0.982 27.9-113.8-146.1 153.2 -26.2 16.8 -9.9 31 35 A V E -A 36 0A 82 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.791 27.5-168.6 -85.0 136.2 -23.6 16.0 -7.3 32 36 A K E > -A 35 0A 85 3,-3.3 2,-1.3 -2,-0.4 3,-1.1 -0.630 55.0 -78.1-135.2 62.0 -20.6 14.2 -9.0 33 37 A N T 3 S- 0 0 125 -2,-0.3 -2,-0.0 1,-0.2 -1,-0.0 -0.587 119.9 -4.2 72.6 -88.7 -18.4 12.8 -6.1 34 38 A K T 3 S+ 0 0 109 -2,-1.3 31,-2.4 -3,-0.1 2,-0.3 0.403 126.8 76.4-112.4 1.5 -16.6 16.1 -5.0 35 39 A H E < -AB 32 64A 61 -3,-1.1 -3,-3.3 29,-0.2 2,-0.6 -0.843 67.2-139.9-112.2 149.9 -18.1 18.3 -7.9 36 40 A L E -AB 31 63A 23 27,-2.7 27,-2.2 -2,-0.3 2,-0.7 -0.944 18.2-154.8-101.9 117.6 -21.4 20.0 -8.5 37 41 A R E -AB 30 62A 40 -7,-2.8 -7,-2.1 -2,-0.6 2,-0.6 -0.898 5.6-162.9 -91.4 111.6 -22.3 19.7 -12.2 38 42 A I E -AB 29 61A 6 23,-3.1 23,-1.7 -2,-0.7 -9,-0.3 -0.901 15.0-145.1 -90.9 114.7 -24.6 22.7 -13.1 39 43 A F E - B 0 60A 55 -11,-2.3 21,-0.3 -2,-0.6 19,-0.1 -0.362 17.4-118.4 -75.1 160.3 -26.4 21.7 -16.4 40 44 A N S S+ 0 0 35 19,-2.5 -20,-2.9 17,-0.2 2,-0.3 0.804 90.5 37.0 -70.8 -26.1 -27.2 24.4 -18.9 41 45 A M S S- 0 0 5 18,-0.3 -13,-2.1 -22,-0.2 -2,-0.1 -0.843 83.6-105.8-124.4 157.2 -30.9 23.9 -18.9 42 46 A C > - 0 0 13 -15,-0.3 4,-2.0 -2,-0.3 5,-0.2 -0.213 48.6-101.3 -66.1 170.1 -33.7 23.1 -16.4 43 47 A K H > S+ 0 0 104 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.916 119.7 54.2 -66.7 -35.1 -35.0 19.5 -16.9 44 48 A T H > S+ 0 0 111 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.931 110.8 43.1 -64.9 -50.2 -38.1 20.6 -18.8 45 49 A C H > S+ 0 0 16 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.875 113.6 53.9 -63.3 -36.7 -36.2 22.6 -21.5 46 50 A F H X S+ 0 0 72 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.974 109.8 45.2 -61.6 -53.7 -33.7 19.8 -21.7 47 51 A N H X S+ 0 0 81 -4,-3.1 4,-1.9 1,-0.2 3,-0.4 0.943 113.9 52.4 -53.2 -43.7 -36.3 17.1 -22.4 48 52 A N H X S+ 0 0 72 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.909 101.9 57.7 -58.7 -45.3 -37.9 19.4 -24.8 49 53 A S H X>S+ 0 0 8 -4,-2.7 5,-2.7 1,-0.2 4,-1.1 0.876 105.2 51.9 -56.3 -38.0 -34.6 20.0 -26.7 50 54 A I H ><5S+ 0 0 98 -4,-1.8 3,-0.7 -3,-0.4 -1,-0.2 0.961 110.1 48.7 -61.2 -52.4 -34.4 16.3 -27.4 51 55 A D H 3<5S+ 0 0 133 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.851 114.6 44.5 -55.4 -35.7 -37.9 16.2 -28.8 52 56 A I H 3<5S- 0 0 97 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.623 112.7-118.1 -89.4 -8.8 -37.3 19.2 -31.0 53 57 A G T <<5 + 0 0 71 -4,-1.1 2,-0.6 -3,-0.7 -3,-0.2 0.790 66.4 136.9 83.1 28.9 -33.9 17.9 -32.2 54 58 A D < + 0 0 52 -5,-2.7 3,-0.3 -6,-0.2 -1,-0.2 -0.925 24.2 168.6-116.7 117.7 -31.8 20.8 -30.9 55 59 A D > + 0 0 117 -2,-0.6 3,-1.4 1,-0.2 -1,-0.1 0.308 47.8 109.0-106.5 11.7 -28.6 20.1 -29.1 56 60 A T T 3 S+ 0 0 90 1,-0.3 -1,-0.2 -7,-0.1 -2,-0.0 0.804 84.1 39.3 -56.9 -38.6 -27.3 23.7 -29.1 57 61 A Y T 3 S+ 0 0 89 -3,-0.3 -1,-0.3 -11,-0.1 2,-0.2 0.325 84.7 125.5-100.3 6.0 -27.8 24.2 -25.3 58 62 A H < + 0 0 65 -3,-1.4 2,-0.3 -18,-0.1 -3,-0.0 -0.449 43.5 71.3 -66.9 131.1 -26.6 20.8 -24.2 59 63 A G - 0 0 33 -2,-0.2 -19,-2.5 -18,-0.1 -18,-0.3 -0.908 53.0-133.2 152.1-174.7 -23.7 20.9 -21.6 60 64 A H E -B 39 0A 82 -21,-0.3 2,-0.4 -2,-0.3 -21,-0.2 -0.943 10.3-131.8-161.6 169.6 -22.7 21.6 -18.1 61 65 A V E -B 38 0A 68 -23,-1.7 -23,-3.1 -2,-0.3 2,-0.4 -0.986 22.7-144.0-135.9 128.0 -20.1 23.3 -16.0 62 66 A D E -B 37 0A 66 -2,-0.4 2,-0.4 -25,-0.3 -25,-0.2 -0.793 12.8-165.9 -94.7 142.3 -18.4 21.4 -13.0 63 67 A W E -B 36 0A 81 -27,-2.2 -27,-2.7 -2,-0.4 2,-0.3 -0.988 24.0-122.0-130.8 126.5 -17.5 23.2 -9.8 64 68 A L E -B 35 0A 42 -2,-0.4 -29,-0.2 -29,-0.2 5,-0.0 -0.525 19.7-149.3 -64.9 127.3 -15.3 21.9 -7.0 65 69 A M S S+ 0 0 41 -31,-2.4 2,-0.2 -2,-0.3 -1,-0.1 0.577 72.7 61.6 -81.4 -7.4 -17.4 21.9 -3.9 66 70 A Y S S- 0 0 109 -32,-0.3 -63,-0.1 -60,-0.1 -2,-0.1 -0.722 79.1-126.0-116.0 163.8 -14.5 22.6 -1.5 67 71 A A S S+ 0 0 45 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 0.787 94.9 54.6 -79.9 -27.5 -12.0 25.4 -1.1 68 72 A D 0 0 134 1,-0.0 -1,-0.1 -3,-0.0 -2,-0.1 -0.910 360.0 360.0-114.5 134.1 -8.9 23.2 -1.3 69 73 A S 0 0 143 -2,-0.4 -2,-0.0 -5,-0.0 -1,-0.0 -0.179 360.0 360.0 -89.8 360.0 -8.1 20.6 -4.2