==== 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 3LT8 . COMPND 2 MOLECULE: ATP BINDING PROTEIN-D65V; . 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) . 5305.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 49 71.0 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 . 7 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 8.7 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,-0.7 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 126.0 32.5 2.9 -6.8 2 6 A D H >> + 0 0 99 1,-0.2 4,-1.8 2,-0.2 3,-1.0 0.861 360.0 61.3 -69.7 -40.0 31.4 3.4 -3.2 3 7 A D H 3> S+ 0 0 65 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.825 104.0 55.3 -52.4 -34.2 30.1 -0.1 -2.3 4 8 A D H <> S+ 0 0 92 -3,-0.7 4,-2.4 2,-0.2 -1,-0.3 0.735 100.5 55.7 -72.3 -30.4 33.7 -1.3 -3.0 5 9 A K H - 0 0 1 6,-3.6 4,-1.3 1,-0.2 22,-0.2 -0.027 51.8-136.2 -32.6 128.7 40.0 -13.5 17.7 20 24 A V T 4 S+ 0 0 40 20,-2.8 -1,-0.2 1,-0.1 21,-0.1 0.749 99.4 44.9 -66.2 -19.6 40.2 -11.4 20.9 21 25 A K T 4 S+ 0 0 87 19,-0.3 -1,-0.1 1,-0.1 20,-0.1 0.943 126.5 20.1 -95.3 -54.2 40.9 -14.5 22.9 22 26 A C T 4 S- 0 0 50 3,-0.1 -2,-0.1 1,-0.0 -1,-0.1 0.634 87.3-147.6 -90.1 -17.0 43.4 -16.6 21.1 23 27 A K S < S+ 0 0 144 -4,-1.3 -3,-0.1 1,-0.2 -1,-0.0 0.362 80.0 65.1 72.6 -11.0 44.7 -13.7 19.1 24 28 A V S S+ 0 0 124 2,-0.1 -1,-0.2 -7,-0.1 -4,-0.0 0.770 80.0 72.9-107.9 -57.1 45.6 -15.9 16.0 25 29 A A S S- 0 0 33 -7,-0.1 -6,-3.6 1,-0.1 -2,-0.1 -0.214 85.8-111.1 -55.9 148.7 42.4 -17.4 14.5 26 30 A P - 0 0 76 0, 0.0 -11,-0.1 0, 0.0 -1,-0.1 -0.415 43.9 -89.9 -75.6 162.5 40.2 -15.0 12.6 27 31 A R - 0 0 33 -13,-0.4 15,-0.3 -10,-0.3 13,-0.1 -0.314 33.6-109.2 -75.3 152.9 36.8 -14.2 14.1 28 32 A N + 0 0 57 13,-2.4 11,-1.7 10,-0.1 2,-0.3 -0.396 47.2 167.6 -65.8 160.2 33.5 -16.0 13.6 29 33 A W E -A 38 0A 126 9,-0.2 2,-0.3 -2,-0.1 9,-0.2 -0.973 19.2-166.7-163.7 160.2 31.0 -14.0 11.6 30 34 A K E -A 37 0A 96 7,-1.8 7,-2.8 -2,-0.3 2,-0.7 -0.978 29.2-112.2-149.3 162.4 27.7 -14.4 9.8 31 35 A V E -A 36 0A 80 -2,-0.3 2,-0.7 5,-0.2 5,-0.2 -0.868 27.7-171.0 -92.3 117.4 25.6 -12.4 7.3 32 36 A K E > -A 35 0A 91 3,-2.5 3,-1.3 -2,-0.7 2,-1.1 -0.723 56.2 -75.4-115.0 80.7 22.4 -11.1 9.0 33 37 A N T 3 S- 0 0 132 -2,-0.7 -2,-0.0 1,-0.3 -1,-0.0 -0.509 118.4 -0.1 71.8 -88.6 20.4 -9.7 6.2 34 38 A K T 3 S+ 0 0 116 -2,-1.1 31,-2.3 30,-0.0 2,-0.3 0.524 124.9 67.7-107.1 -1.8 22.0 -6.3 5.3 35 39 A H E < S-AB 32 64A 68 -3,-1.3 -3,-2.5 29,-0.2 2,-0.6 -0.815 70.8-132.5-115.0 153.8 24.8 -6.4 7.9 36 40 A L E -AB 31 63A 22 27,-2.9 27,-2.1 -2,-0.3 2,-0.7 -0.932 22.4-151.4 -99.4 120.1 27.9 -8.4 8.5 37 41 A R E -AB 30 62A 38 -7,-2.8 -7,-1.8 -2,-0.6 2,-0.7 -0.866 8.3-166.1 -93.2 112.6 28.1 -9.5 12.1 38 42 A I E -AB 29 61A 6 23,-3.2 23,-1.8 -2,-0.7 -9,-0.2 -0.885 12.6-148.8 -97.8 108.1 31.8 -9.9 13.2 39 43 A Y E - B 0 60A 56 -11,-1.7 21,-0.3 -2,-0.7 19,-0.1 -0.349 19.9-120.2 -67.7 154.0 31.9 -11.9 16.5 40 44 A N S S+ 0 0 34 19,-2.4 -20,-2.8 17,-0.2 2,-0.3 0.781 90.7 40.0 -68.3 -25.3 34.7 -11.1 18.9 41 45 A M S S- 0 0 6 18,-0.3 -13,-2.4 -22,-0.2 -2,-0.1 -0.837 83.3-107.8-124.3 160.3 36.0 -14.7 18.9 42 46 A C > - 0 0 11 -15,-0.3 4,-1.7 -2,-0.3 -15,-0.1 -0.242 46.7-102.7 -70.9 174.9 36.7 -17.6 16.5 43 47 A K H > S+ 0 0 117 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.888 118.9 56.5 -71.8 -37.0 34.3 -20.5 17.0 44 48 A T H > S+ 0 0 112 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.921 111.9 41.3 -59.4 -46.1 36.8 -22.6 18.9 45 49 A C H > S+ 0 0 16 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.817 111.7 56.0 -75.6 -31.0 37.4 -20.0 21.6 46 50 A F H X S+ 0 0 81 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.972 111.0 42.9 -63.4 -49.6 33.7 -19.1 21.8 47 51 A N H >X S+ 0 0 69 -4,-2.5 4,-2.0 1,-0.2 3,-0.6 0.925 114.1 52.7 -59.7 -43.8 32.6 -22.7 22.6 48 52 A N H 3X S+ 0 0 70 -4,-2.0 4,-2.4 -5,-0.3 5,-0.2 0.892 102.6 58.1 -58.6 -41.1 35.5 -23.0 24.9 49 53 A S H 3X>S+ 0 0 8 -4,-2.3 5,-2.8 2,-0.2 4,-0.7 0.803 104.9 51.0 -60.0 -32.0 34.5 -19.9 26.8 50 54 A I H X<5S+ 0 0 94 -4,-1.2 3,-1.1 -3,-0.6 -2,-0.2 0.972 110.9 49.5 -67.0 -55.4 31.1 -21.5 27.5 51 55 A D H 3<5S+ 0 0 135 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.839 115.0 42.0 -47.2 -45.0 32.8 -24.6 28.9 52 56 A I H 3<5S- 0 0 98 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.586 113.4-118.7 -87.9 -6.5 35.2 -22.6 31.1 53 57 A G T <<5 + 0 0 68 -3,-1.1 2,-0.6 -4,-0.7 -3,-0.2 0.790 65.5 137.0 80.1 32.1 32.4 -20.3 32.2 54 58 A D < + 0 0 49 -5,-2.8 3,-0.2 -6,-0.2 -1,-0.2 -0.938 23.0 169.2-117.0 118.7 33.8 -17.0 30.9 55 59 A D > + 0 0 116 -2,-0.6 3,-1.1 1,-0.2 -1,-0.1 0.281 46.8 110.0-109.3 13.3 31.6 -14.6 29.2 56 60 A T T 3 S+ 0 0 91 1,-0.2 -1,-0.2 -7,-0.1 -2,-0.0 0.789 83.6 39.8 -54.9 -38.5 34.1 -11.7 29.2 57 61 A Y T 3 S+ 0 0 86 -3,-0.2 -1,-0.2 -11,-0.1 -17,-0.2 0.425 83.1 125.6 -98.2 1.2 34.7 -11.8 25.4 58 62 A H < + 0 0 70 -3,-1.1 2,-0.3 -18,-0.1 -3,-0.0 -0.349 43.4 77.4 -59.9 135.7 31.1 -12.5 24.3 59 63 A G - 0 0 32 -18,-0.1 -19,-2.4 2,-0.0 -18,-0.3 -0.866 51.3-140.5 148.9 179.9 29.9 -9.9 21.8 60 64 A H E -B 39 0A 80 -21,-0.3 2,-0.4 -2,-0.3 -21,-0.3 -0.956 11.9-129.5-162.1 169.9 30.0 -8.8 18.2 61 65 A V E -B 38 0A 65 -23,-1.8 -23,-3.2 -2,-0.3 2,-0.4 -0.995 20.4-147.5-134.5 126.9 30.1 -5.8 15.9 62 66 A D E -B 37 0A 63 -2,-0.4 2,-0.4 -25,-0.2 -25,-0.2 -0.812 12.5-166.2 -95.7 141.1 27.6 -5.3 13.0 63 67 A W E -B 36 0A 82 -27,-2.1 -27,-2.9 -2,-0.4 2,-0.2 -0.993 24.0-121.9-130.5 124.3 28.7 -3.6 9.9 64 68 A L E -B 35 0A 45 -2,-0.4 -29,-0.2 -29,-0.2 5,-0.0 -0.482 20.5-148.1 -63.3 130.4 26.4 -2.3 7.1 65 69 A M S S+ 0 0 45 -31,-2.3 2,-0.2 -2,-0.2 -1,-0.1 0.562 71.8 62.6 -84.3 -7.3 27.5 -4.1 4.0 66 70 A Y S S- 0 0 100 -32,-0.3 -2,-0.0 -60,-0.1 3,-0.0 -0.658 78.0-126.7-113.1 168.7 26.6 -1.2 1.6 67 71 A A S S+ 0 0 47 -2,-0.2 2,-0.5 1,-0.1 -1,-0.1 0.824 95.7 57.1 -83.9 -31.6 27.8 2.3 1.1 68 72 A D 0 0 137 1,-0.0 -1,-0.1 -3,-0.0 -2,-0.1 -0.872 360.0 360.0-107.7 130.3 24.4 3.9 1.3 69 73 A S 0 0 140 -2,-0.5 -2,-0.1 -3,-0.0 -1,-0.0 -0.146 360.0 360.0 -81.7 360.0 22.0 3.3 4.3