==== 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 3LTC . 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) . 5325.0 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 0 125 0, 0.0 4,-1.1 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 128.0 13.8 -31.0 34.2 2 6 A D H 3> + 0 0 100 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.833 360.0 63.0 -63.8 -31.7 12.8 -30.6 30.5 3 7 A D H 3> S+ 0 0 62 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.883 100.6 55.0 -57.8 -34.4 15.3 -27.8 30.0 4 8 A D H <> S+ 0 0 91 -3,-0.7 4,-2.8 1,-0.2 -1,-0.2 0.860 101.4 55.9 -68.4 -35.6 18.0 -30.3 30.8 5 9 A K H X S+ 0 0 124 -4,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.922 110.6 45.9 -58.4 -43.7 16.7 -32.6 28.0 6 10 A K H X S+ 0 0 53 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.954 113.3 48.8 -65.9 -48.9 17.2 -29.7 25.6 7 11 A T H X S+ 0 0 60 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.933 111.5 48.9 -55.5 -47.6 20.7 -28.8 27.0 8 12 A N H X S+ 0 0 102 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.860 111.0 50.6 -63.3 -37.6 21.9 -32.4 26.8 9 13 A W H X S+ 0 0 157 -4,-1.9 4,-3.2 -5,-0.2 -1,-0.2 0.906 109.5 49.3 -65.1 -44.8 20.7 -32.8 23.2 10 14 A L H X S+ 0 0 17 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.886 109.8 52.6 -63.3 -38.1 22.4 -29.6 22.0 11 15 A K H X S+ 0 0 130 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.936 113.7 43.5 -58.4 -48.4 25.7 -30.7 23.7 12 16 A R H X S+ 0 0 121 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.937 113.7 50.0 -64.4 -45.3 25.3 -34.0 21.8 13 17 A I H X S+ 0 0 42 -4,-3.2 4,-1.1 1,-0.2 -2,-0.2 0.926 113.1 47.0 -60.0 -45.7 24.3 -32.3 18.5 14 18 A Y H < S+ 0 0 65 -4,-2.8 13,-0.4 -5,-0.2 -1,-0.2 0.894 116.5 45.1 -62.4 -42.0 27.3 -29.9 18.7 15 19 A R H < S+ 0 0 154 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.920 111.5 46.7 -70.4 -45.3 29.8 -32.8 19.6 16 20 A V H < S+ 0 0 70 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.1 0.613 105.8 55.9 -88.8 -8.6 28.9 -35.5 17.1 17 21 A R S < S- 0 0 169 -4,-1.1 10,-0.3 -5,-0.2 -1,-0.2 -0.880 74.3-170.9-121.7 97.7 28.6 -33.5 13.8 18 22 A P - 0 0 44 0, 0.0 7,-0.1 0, 0.0 -3,-0.0 -0.095 46.2 -41.5 -74.1-179.7 31.9 -31.6 13.2 19 23 A C > - 0 0 0 6,-3.4 4,-1.2 1,-0.2 22,-0.2 -0.100 51.6-135.3 -41.3 132.6 32.7 -29.0 10.5 20 24 A V T 4 S+ 0 0 41 20,-2.2 -1,-0.2 37,-0.2 21,-0.1 0.626 99.8 44.6 -70.6 -13.4 31.1 -30.1 7.2 21 25 A K T 4 S+ 0 0 91 19,-0.2 -1,-0.1 36,-0.1 20,-0.1 0.894 126.8 20.6 -97.1 -58.5 34.4 -29.1 5.4 22 26 A C T 4 S- 0 0 54 3,-0.1 -2,-0.1 1,-0.0 -3,-0.0 0.702 87.6-148.2 -86.9 -17.2 37.3 -30.5 7.4 23 27 A K S < S+ 0 0 151 -4,-1.2 -3,-0.1 2,-0.1 18,-0.0 0.656 79.7 68.0 60.3 21.3 35.1 -33.0 9.1 24 28 A V S S+ 0 0 126 1,-0.1 -1,-0.1 -7,-0.1 -4,-0.0 0.612 77.7 69.4-131.4 -54.8 37.2 -32.9 12.3 25 29 A A S S- 0 0 30 -7,-0.1 -6,-3.4 1,-0.1 -1,-0.1 -0.344 85.7-104.5 -69.7 149.4 37.0 -29.5 14.1 26 30 A P - 0 0 77 0, 0.0 17,-0.2 0, 0.0 -1,-0.1 -0.319 44.8 -94.5 -67.1 162.1 33.9 -28.4 15.9 27 31 A R - 0 0 32 -13,-0.4 15,-0.3 -10,-0.3 13,-0.1 -0.371 30.8-111.6 -79.1 150.9 31.6 -25.8 14.3 28 32 A D + 0 0 51 13,-2.3 11,-2.0 -2,-0.1 2,-0.3 -0.370 45.9 171.5 -69.2 162.8 31.6 -22.1 14.9 29 33 A W E -A 38 0A 126 9,-0.2 2,-0.3 -2,-0.1 9,-0.2 -0.969 20.5-160.7-163.2 165.3 28.4 -20.9 16.7 30 34 A K E -A 37 0A 99 7,-1.9 7,-3.0 -2,-0.3 2,-0.5 -0.976 20.2-124.8-152.7 156.4 26.9 -17.8 18.4 31 35 A V E +A 36 0A 80 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.905 26.6 177.5-106.1 135.9 24.0 -17.2 20.8 32 36 A K E > -A 35 0A 69 3,-2.7 3,-2.1 -2,-0.5 2,-0.3 -0.928 59.2 -48.9-141.0 114.2 21.3 -14.8 19.8 33 37 A N T 3 S- 0 0 118 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.406 123.1 -20.6 58.3-117.9 18.3 -14.2 22.1 34 38 A K T 3 S+ 0 0 128 -2,-0.3 31,-2.8 -3,-0.1 2,-0.3 0.268 121.8 90.1-105.2 19.1 17.0 -17.6 23.1 35 39 A H E < -AB 32 64A 66 -3,-2.1 -3,-2.7 29,-0.2 2,-0.6 -0.870 62.6-144.1-120.4 145.7 18.6 -19.5 20.2 36 40 A L E -AB 31 63A 22 27,-2.9 27,-2.3 -2,-0.3 2,-0.7 -0.943 17.3-155.4-102.4 118.0 21.9 -21.2 19.5 37 41 A R E -AB 30 62A 50 -7,-3.0 -7,-1.9 -2,-0.6 2,-0.7 -0.867 6.4-165.6 -94.4 117.2 23.1 -20.7 15.9 38 42 A I E -AB 29 61A 7 23,-3.0 23,-2.3 -2,-0.7 -9,-0.2 -0.924 12.8-146.8-102.9 114.0 25.4 -23.6 14.9 39 43 A Y E - B 0 60A 70 -11,-2.0 21,-0.3 -2,-0.7 19,-0.1 -0.421 19.6-118.0 -76.1 160.3 27.3 -22.6 11.7 40 44 A N S S+ 0 0 37 19,-2.1 -20,-2.2 17,-0.2 2,-0.3 0.789 90.0 43.6 -74.3 -25.4 28.1 -25.3 9.2 41 45 A M S S- 0 0 7 18,-0.3 -13,-2.3 -22,-0.2 -2,-0.1 -0.807 82.0-110.2-119.6 157.4 32.0 -24.9 9.4 42 46 A C > - 0 0 8 -15,-0.3 4,-2.0 -2,-0.3 -15,-0.2 -0.258 46.9-103.1 -66.3 169.2 34.7 -24.3 12.0 43 47 A K H > S+ 0 0 101 -17,-0.2 4,-3.0 1,-0.2 5,-0.3 0.894 119.3 56.7 -67.3 -38.3 36.2 -20.8 11.8 44 48 A T H > S+ 0 0 113 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.937 111.8 41.1 -59.7 -49.1 39.4 -22.0 10.0 45 49 A C H > S+ 0 0 17 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.857 114.3 53.1 -68.7 -35.7 37.4 -23.6 7.1 46 50 A F H X S+ 0 0 70 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.955 110.1 46.6 -63.1 -48.8 35.0 -20.7 7.0 47 51 A N H X S+ 0 0 81 -4,-3.0 4,-1.7 1,-0.2 3,-0.3 0.930 113.8 49.3 -57.0 -44.5 37.8 -18.1 6.7 48 52 A N H X S+ 0 0 73 -4,-2.1 4,-2.4 -5,-0.3 5,-0.3 0.876 103.8 59.9 -63.8 -37.0 39.5 -20.2 4.0 49 53 A S H X>S+ 0 0 7 -4,-2.2 5,-1.9 1,-0.2 4,-0.9 0.861 104.3 51.1 -61.0 -35.0 36.2 -20.6 2.1 50 54 A I H <5S+ 0 0 91 -4,-1.6 3,-0.4 -3,-0.3 -1,-0.2 0.941 110.7 48.3 -62.6 -47.1 36.2 -16.8 1.8 51 55 A D H <5S+ 0 0 135 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.849 116.0 42.0 -61.8 -39.5 39.7 -16.8 0.4 52 56 A I H <5S- 0 0 98 -4,-2.4 -1,-0.2 2,-0.1 -2,-0.2 0.626 110.7-120.9 -88.9 -9.9 39.1 -19.6 -2.2 53 57 A G T <5 + 0 0 61 -4,-0.9 2,-0.6 -3,-0.4 -3,-0.2 0.766 62.0 140.7 81.9 24.6 35.7 -18.1 -3.2 54 58 A D < + 0 0 49 -5,-1.9 3,-0.2 -6,-0.2 -1,-0.2 -0.898 24.4 172.5-105.9 119.0 33.4 -21.1 -2.3 55 59 A D > + 0 0 112 -2,-0.6 3,-1.6 1,-0.2 -1,-0.1 0.388 52.7 106.6 -95.9 2.2 30.0 -20.4 -0.7 56 60 A T T 3 S+ 0 0 99 1,-0.3 -1,-0.2 -7,-0.1 -2,-0.0 0.865 85.5 36.7 -50.8 -43.3 28.9 -24.1 -1.0 57 61 A Y T 3 S+ 0 0 87 -3,-0.2 -1,-0.3 -11,-0.0 -17,-0.2 0.382 87.4 119.3 -97.4 5.3 29.3 -24.8 2.8 58 62 A H < + 0 0 61 -3,-1.6 2,-0.3 -18,-0.1 -3,-0.0 -0.475 44.9 82.0 -65.8 137.6 28.1 -21.5 4.1 59 63 A G - 0 0 32 -2,-0.2 -19,-2.1 -18,-0.1 -18,-0.3 -0.914 51.0-139.5 154.1-175.5 25.0 -21.8 6.3 60 64 A H E -B 39 0A 81 -21,-0.3 2,-0.4 -2,-0.3 -21,-0.2 -0.983 10.3-132.9-165.8 164.7 23.7 -22.5 9.8 61 65 A V E -B 38 0A 68 -23,-2.3 -23,-3.0 -2,-0.3 2,-0.3 -0.996 22.2-146.8-130.3 125.9 21.1 -24.2 11.9 62 66 A D E -B 37 0A 59 -2,-0.4 2,-0.4 -25,-0.2 -25,-0.2 -0.743 12.8-165.3 -92.5 142.9 19.4 -22.4 14.7 63 67 A W E -B 36 0A 87 -27,-2.3 -27,-2.9 -2,-0.3 2,-0.4 -0.980 23.9-122.6-130.2 133.8 18.3 -24.3 17.9 64 68 A L E -B 35 0A 38 -2,-0.4 -29,-0.2 -29,-0.2 5,-0.0 -0.654 21.4-149.6 -70.1 129.8 15.9 -23.1 20.7 65 69 A M S S+ 0 0 41 -31,-2.8 2,-0.3 -2,-0.4 -1,-0.1 0.529 72.2 58.9 -85.2 -3.9 18.0 -23.3 23.9 66 70 A Y S S- 0 0 110 -32,-0.3 -63,-0.1 -60,-0.1 -2,-0.1 -0.784 80.9-122.4-122.6 163.8 15.0 -24.1 26.2 67 71 A A S S+ 0 0 44 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 0.765 91.8 63.2 -75.9 -29.6 12.4 -26.9 26.4 68 72 A D 0 0 144 1,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.885 360.0 360.0-113.9 120.8 9.4 -24.6 26.1 69 73 A S 0 0 140 -2,-0.6 -1,-0.1 -5,-0.0 -2,-0.0 0.545 360.0 360.0 -64.4 360.0 8.5 -22.4 23.3