==== 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 3LTD . 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) . 5276.0 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 0 133 0, 0.0 3,-0.8 0, 0.0 4,-0.7 0.000 360.0 360.0 360.0 133.8 -33.9 -3.4 -7.0 2 6 A D H >> + 0 0 105 1,-0.2 4,-1.5 2,-0.2 3,-0.6 0.837 360.0 60.3 -70.3 -38.2 -32.7 -3.9 -3.3 3 7 A D H 3> S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.697 102.0 56.2 -59.7 -21.3 -31.5 -0.4 -2.6 4 8 A D H <> S+ 0 0 91 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.792 99.6 58.4 -83.9 -28.3 -35.0 0.9 -3.2 5 9 A K H - 0 0 1 6,-3.3 4,-0.9 1,-0.1 22,-0.2 -0.133 51.5-135.8 -34.3 128.6 -41.4 13.9 17.0 20 24 A V T 4 S+ 0 0 39 20,-2.9 21,-0.1 2,-0.1 -1,-0.1 0.788 98.8 43.7 -63.6 -27.4 -41.5 11.9 20.3 21 25 A K T 4 S+ 0 0 87 19,-0.2 -1,-0.1 36,-0.1 20,-0.1 0.966 128.2 19.5 -85.7 -66.3 -42.2 15.1 22.3 22 26 A C T 4 S- 0 0 52 3,-0.1 -2,-0.1 1,-0.0 -1,-0.1 0.697 87.9-147.7 -80.2 -20.1 -44.8 17.2 20.4 23 27 A K S < S+ 0 0 138 -4,-0.9 -3,-0.1 1,-0.1 -1,-0.0 0.626 80.1 65.8 68.5 7.4 -45.9 14.2 18.4 24 28 A V S S+ 0 0 123 2,-0.1 -1,-0.1 -7,-0.1 -4,-0.0 0.622 77.0 74.7-125.5 -61.7 -46.8 16.3 15.3 25 29 A A S S- 0 0 29 -7,-0.1 -6,-3.3 1,-0.1 17,-0.1 -0.196 86.4-111.3 -50.6 144.3 -43.7 17.8 13.7 26 30 A P - 0 0 77 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.316 45.1 -90.3 -66.4 167.9 -41.5 15.3 11.8 27 31 A R - 0 0 34 -13,-0.3 15,-0.3 -10,-0.3 13,-0.1 -0.462 31.6-111.0 -84.4 151.9 -38.1 14.6 13.4 28 32 A D + 0 0 45 13,-2.9 11,-2.2 -2,-0.2 2,-0.3 -0.392 45.3 169.0 -66.9 158.3 -34.8 16.3 12.8 29 33 A W E -A 38 0A 118 9,-0.2 2,-0.3 -2,-0.1 9,-0.2 -0.958 18.6-165.4-161.4 165.0 -32.2 14.1 11.0 30 34 A K E -A 37 0A 90 7,-1.6 7,-2.3 -2,-0.3 2,-0.4 -0.967 24.9-116.3-155.5 152.2 -28.8 14.5 9.3 31 35 A V E -A 36 0A 88 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.770 29.0-174.7 -94.5 140.4 -26.8 12.3 6.9 32 36 A K E > -A 35 0A 63 3,-2.8 3,-2.1 -2,-0.4 2,-0.5 -0.892 56.3 -56.2-144.7 110.6 -23.5 10.9 8.1 33 37 A N T 3 S- 0 0 118 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.495 124.1 -19.9 47.5-105.2 -21.1 8.9 5.9 34 38 A K T 3 S+ 0 0 127 -2,-0.5 31,-2.7 -3,-0.1 2,-0.4 0.166 121.5 89.1-112.9 19.6 -23.5 6.1 4.8 35 39 A H E < -AB 32 64A 58 -3,-2.1 -3,-2.8 29,-0.2 2,-0.6 -0.895 64.1-140.1-118.6 147.3 -26.1 6.4 7.5 36 40 A L E -AB 31 63A 26 27,-3.2 27,-3.1 -2,-0.4 2,-0.6 -0.929 21.4-155.3 -97.2 122.3 -29.3 8.3 7.9 37 41 A R E -AB 30 62A 35 -7,-2.3 -7,-1.6 -2,-0.6 2,-0.7 -0.895 5.9-165.8 -96.4 113.5 -29.5 9.5 11.6 38 42 A I E -AB 29 61A 7 23,-2.7 23,-2.4 -2,-0.6 -9,-0.2 -0.899 12.5-147.5-100.1 117.6 -33.1 10.2 12.7 39 43 A Y E - B 0 60A 58 -11,-2.2 21,-0.3 -2,-0.7 19,-0.1 -0.431 20.0-118.4 -76.1 160.0 -33.2 12.1 15.9 40 44 A N S S+ 0 0 34 19,-2.5 -20,-2.9 17,-0.2 2,-0.3 0.774 90.5 39.7 -70.9 -27.1 -36.0 11.6 18.4 41 45 A M S S- 0 0 7 18,-0.3 -13,-2.9 -22,-0.2 -2,-0.2 -0.804 81.8-107.7-120.7 160.4 -37.4 15.2 18.2 42 46 A C > - 0 0 9 -15,-0.3 4,-2.2 -2,-0.3 -15,-0.1 -0.294 45.7-104.7 -67.4 169.4 -38.1 17.9 15.7 43 47 A K H > S+ 0 0 100 2,-0.2 4,-3.0 1,-0.2 5,-0.4 0.919 119.3 57.1 -64.6 -41.6 -35.7 20.9 16.0 44 48 A T H > S+ 0 0 113 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.945 112.4 40.9 -59.1 -46.9 -38.2 23.1 17.7 45 49 A C H > S+ 0 0 13 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.882 113.3 54.2 -66.6 -39.4 -38.7 20.5 20.5 46 50 A F H X S+ 0 0 70 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.945 110.1 44.8 -62.3 -48.5 -35.0 19.7 20.7 47 51 A N H X S+ 0 0 78 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.873 113.4 53.3 -61.9 -35.0 -33.9 23.3 21.2 48 52 A N H X S+ 0 0 66 -4,-1.7 4,-1.9 -5,-0.4 5,-0.3 0.956 103.7 55.1 -63.3 -49.5 -36.7 23.7 23.7 49 53 A S H X>S+ 0 0 9 -4,-3.0 5,-1.4 1,-0.2 4,-1.0 0.840 106.6 51.2 -51.8 -39.5 -35.6 20.7 25.7 50 54 A I H ><5S+ 0 0 100 -4,-1.7 3,-0.6 1,-0.2 -1,-0.2 0.946 109.6 51.9 -63.3 -45.5 -32.1 22.3 26.1 51 55 A D H 3<5S+ 0 0 131 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.795 115.9 38.1 -58.5 -36.2 -33.8 25.4 27.3 52 56 A I H 3<5S- 0 0 97 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.508 109.5-120.1 -97.8 -5.7 -35.9 23.7 30.0 53 57 A G T <<5 + 0 0 66 -4,-1.0 2,-0.7 -3,-0.6 -3,-0.2 0.640 63.5 138.6 76.7 19.6 -33.1 21.2 30.9 54 58 A D < + 0 0 53 -5,-1.4 3,-0.2 -6,-0.2 -1,-0.2 -0.843 21.6 172.7 -94.9 116.3 -34.9 17.9 30.1 55 59 A D > + 0 0 118 -2,-0.7 3,-1.4 1,-0.1 -1,-0.1 0.387 48.9 108.5 -99.5 8.6 -32.6 15.4 28.4 56 60 A T T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -7,-0.1 -2,-0.0 0.856 82.2 39.1 -48.9 -49.1 -35.2 12.6 28.6 57 61 A Y T 3 S+ 0 0 94 -3,-0.2 -1,-0.3 -11,-0.0 -17,-0.2 0.413 84.1 123.9 -90.6 3.6 -36.0 12.6 24.9 58 62 A H < + 0 0 67 -3,-1.4 2,-0.2 -18,-0.1 -3,-0.0 -0.275 42.6 80.3 -58.8 145.7 -32.4 13.1 23.6 59 63 A G - 0 0 32 -18,-0.0 -19,-2.5 2,-0.0 -18,-0.3 -0.746 49.5-142.6 140.4 170.8 -31.3 10.4 21.2 60 64 A H E -B 39 0A 83 -21,-0.3 2,-0.4 -2,-0.2 -21,-0.3 -0.972 13.8-129.9-158.4 162.9 -31.3 9.1 17.6 61 65 A V E -B 38 0A 70 -23,-2.4 -23,-2.7 -2,-0.3 2,-0.4 -1.000 23.7-145.1-119.7 127.7 -31.4 5.9 15.6 62 66 A D E -B 37 0A 64 -2,-0.4 2,-0.4 -25,-0.2 -25,-0.3 -0.785 14.9-162.9 -89.4 138.6 -28.9 5.5 12.8 63 67 A W E -B 36 0A 79 -27,-3.1 -27,-3.2 -2,-0.4 2,-0.3 -0.970 22.5-121.0-125.8 133.6 -29.9 3.7 9.6 64 68 A L E -B 35 0A 40 -2,-0.4 -29,-0.2 -29,-0.2 5,-0.0 -0.559 20.2-150.6 -67.9 126.9 -27.8 2.2 6.9 65 69 A M S S+ 0 0 46 -31,-2.7 2,-0.3 -2,-0.3 -1,-0.1 0.669 71.2 59.6 -77.5 -12.8 -28.8 4.0 3.8 66 70 A Y S S- 0 0 116 -32,-0.3 -63,-0.1 2,-0.1 -2,-0.1 -0.751 77.5-126.3-117.3 162.1 -28.0 1.0 1.5 67 71 A A S S+ 0 0 48 -2,-0.3 2,-0.4 2,-0.1 -1,-0.1 0.723 93.0 56.5 -75.2 -24.1 -29.1 -2.6 1.1 68 72 A D 0 0 137 1,-0.1 -2,-0.1 -65,-0.0 -1,-0.0 -0.904 360.0 360.0-115.6 139.7 -25.6 -4.0 1.2 69 73 A S 0 0 150 -2,-0.4 -1,-0.1 -5,-0.0 -2,-0.1 0.696 360.0 360.0-108.8 360.0 -22.9 -3.6 3.9