==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA-BINDING PROTEIN 16-JUN-99 1QRY . COMPND 2 MOLECULE: PROTEIN (HOMEOBOX VENTRAL NERVOUS SYSTEM . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR B.XIANG . 80 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7733.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 52 65.0 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 . 0 0.0 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 . 0 0.0 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 . 4 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 43.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 5.0 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 1 0 0 0 1 0 0 0 0 0 0 0 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A G 0 0 122 0, 0.0 2,-1.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 169.0 15.7 -24.7 5.0 2 2 A S + 0 0 116 1,-0.2 3,-0.0 3,-0.0 0, 0.0 -0.651 360.0 145.7 -85.0 94.4 17.1 -21.3 6.0 3 3 A H + 0 0 192 -2,-1.3 2,-0.4 1,-0.1 -1,-0.2 -0.009 46.4 87.3-117.1 29.4 16.0 -19.1 3.0 4 4 A M - 0 0 132 -3,-0.0 2,-0.6 0, 0.0 -1,-0.1 -0.939 67.6-144.0-132.3 114.0 15.4 -15.9 4.9 5 5 A S - 0 0 120 -2,-0.4 -2,-0.0 1,-0.2 -3,-0.0 -0.629 14.2-176.0 -77.7 117.3 18.3 -13.4 5.6 6 6 A D + 0 0 143 -2,-0.6 2,-1.4 1,-0.1 -1,-0.2 0.439 52.5 109.4 -92.1 1.8 17.7 -11.9 9.1 7 7 A G + 0 0 27 1,-0.2 -2,-0.1 2,-0.1 -1,-0.1 -0.600 31.7 156.6 -80.0 93.7 20.7 -9.6 8.6 8 8 A L S > S+ 0 0 147 -2,-1.4 3,-1.1 1,-0.2 -1,-0.2 0.806 71.7 54.7 -87.9 -30.4 18.9 -6.2 8.3 9 9 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.737 86.9 80.7 -75.3 -19.5 21.9 -4.1 9.4 10 10 A N T 3 S+ 0 0 136 2,-0.0 2,-0.2 0, 0.0 -2,-0.1 0.688 86.5 75.4 -59.8 -11.6 24.1 -5.8 6.7 11 11 A K S < S- 0 0 139 -3,-1.1 4,-0.1 1,-0.1 -3,-0.0 -0.638 87.8-116.0 -99.0 159.8 22.4 -3.3 4.4 12 12 A K - 0 0 178 2,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.056 41.1 -88.3 -77.1-164.5 23.2 0.5 4.2 13 13 A R S S+ 0 0 240 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.172 103.7 59.9-101.3 42.3 20.8 3.3 5.1 14 14 A K + 0 0 165 2,-0.0 -2,-0.3 -2,-0.0 2,-0.1 -0.961 45.3 135.9-164.4 146.0 19.2 3.5 1.6 15 15 A R - 0 0 156 -2,-0.3 -4,-0.0 -4,-0.1 0, 0.0 -0.401 46.9-116.2 167.5 109.5 17.3 1.3 -0.9 16 16 A R - 0 0 166 -2,-0.1 2,-0.3 1,-0.1 -2,-0.0 0.089 36.2-161.5 -45.4 171.6 14.3 2.1 -3.0 17 17 A V + 0 0 118 2,-0.0 2,-0.2 0, 0.0 -1,-0.1 -0.991 18.4 161.7-159.1 151.7 11.2 -0.0 -2.2 18 18 A L - 0 0 124 -2,-0.3 2,-0.3 0, 0.0 0, 0.0 -0.650 31.5-102.5-148.6-154.2 7.9 -1.0 -3.9 19 19 A F - 0 0 68 -2,-0.2 2,-0.1 4,-0.0 -2,-0.0 -1.000 34.7 -96.1-147.6 146.3 5.1 -3.6 -3.6 20 20 A T >> - 0 0 70 -2,-0.3 4,-0.7 1,-0.2 5,-0.6 -0.374 39.2-120.0 -56.8 127.9 4.1 -6.8 -5.4 21 21 A K H >5S+ 0 0 188 1,-0.2 4,-0.6 3,-0.2 -1,-0.2 0.810 120.0 60.5 -43.5 -16.7 1.3 -5.7 -7.9 22 22 A A H >5S+ 0 0 54 2,-0.2 4,-1.7 3,-0.2 3,-0.6 0.986 103.3 41.8 -73.9 -67.2 -0.3 -8.3 -5.6 23 23 A Q H >5S+ 0 0 48 1,-0.3 4,-2.9 2,-0.2 5,-0.6 0.926 117.1 46.7 -40.6 -80.5 0.1 -6.5 -2.3 24 24 A T H X5S+ 0 0 40 -4,-0.7 4,-1.1 3,-0.2 -1,-0.3 0.798 112.5 56.9 -33.4 -35.6 -0.8 -3.1 -3.6 25 25 A Y H >XX S+ 0 0 122 -4,-2.9 3,-2.8 -3,-0.4 4,-1.2 0.923 96.0 63.0 -62.3 -41.7 -8.9 -3.6 -2.5 30 30 A R H 3X S+ 0 0 49 -4,-2.7 4,-1.8 1,-0.3 -1,-0.2 0.930 90.5 66.4 -49.6 -45.9 -9.1 -2.8 1.2 31 31 A F H 3< S+ 0 0 44 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.766 103.6 50.0 -49.7 -20.5 -9.5 0.9 0.3 32 32 A R H <4 S+ 0 0 191 -3,-2.8 -2,-0.2 -4,-0.4 -1,-0.2 0.958 113.1 37.9 -83.6 -66.0 -12.9 -0.3 -1.1 33 33 A Q H < S+ 0 0 141 -4,-1.2 2,-0.3 1,-0.2 -2,-0.2 0.618 136.0 26.3 -61.5 -5.4 -14.4 -2.4 1.8 34 34 A Q < - 0 0 28 -4,-1.8 3,-0.2 -5,-0.4 -1,-0.2 -0.943 52.3-179.7-157.9 133.3 -12.8 0.4 3.9 35 35 A R S S+ 0 0 156 -2,-0.3 -4,-0.1 1,-0.1 -1,-0.1 0.414 90.9 41.2-112.8 -1.8 -12.0 4.0 3.3 36 36 A Y S S- 0 0 157 6,-0.0 5,-0.1 24,-0.0 -1,-0.1 -0.231 78.8-166.1-139.4 49.8 -10.6 4.7 6.8 37 37 A L - 0 0 11 -3,-0.2 2,-0.1 4,-0.1 -3,-0.0 0.021 15.3-179.8 -35.2 140.3 -8.5 1.6 7.7 38 38 A S > - 0 0 45 19,-0.0 4,-0.7 0, 0.0 5,-0.3 -0.183 47.5 -66.8-123.5-141.6 -7.8 1.7 11.5 39 39 A A H > S+ 0 0 70 3,-0.1 4,-0.6 2,-0.1 15,-0.1 0.812 134.9 33.2 -87.2 -30.3 -5.9 -0.5 13.9 40 40 A P H > S+ 0 0 82 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.707 119.6 50.2 -96.4 -24.6 -8.4 -3.4 13.6 41 41 A E H > S+ 0 0 56 2,-0.2 4,-0.9 -5,-0.1 -2,-0.1 0.930 109.3 50.7 -79.1 -46.8 -9.3 -2.9 9.9 42 42 A R H >X S+ 0 0 16 -4,-0.7 3,-3.6 1,-0.2 4,-1.1 0.986 102.7 59.8 -52.0 -67.3 -5.8 -2.7 8.6 43 43 A E H 3X S+ 0 0 90 -4,-0.6 4,-1.8 1,-0.3 5,-0.3 0.826 91.1 68.3 -27.0 -61.9 -4.8 -5.9 10.4 44 44 A H H 3X S+ 0 0 120 -4,-1.1 4,-0.9 1,-0.3 3,-0.5 0.863 108.1 41.4 -30.5 -45.5 -7.4 -7.8 8.4 45 45 A L H X<>S+ 0 0 5 -3,-3.6 3,-2.1 -4,-0.9 5,-0.7 0.977 99.2 68.8 -68.2 -56.4 -5.1 -7.0 5.5 46 46 A T H 3<5S+ 0 0 16 -4,-1.1 4,-0.3 1,-0.3 -1,-0.2 0.787 101.0 53.5 -36.7 -22.4 -1.9 -7.7 7.4 47 47 A S H 3<5S+ 0 0 89 -4,-1.8 -1,-0.3 -3,-0.5 -2,-0.2 0.904 113.2 43.4 -80.1 -40.7 -3.3 -11.2 7.2 48 48 A L T <<5S- 0 0 94 -3,-2.1 -2,-0.2 -4,-0.9 -3,-0.1 0.975 139.1 -1.0 -64.7 -90.2 -3.6 -10.9 3.4 49 49 A I T 5S- 0 0 18 -4,-0.3 2,-0.3 -26,-0.1 -3,-0.2 0.028 91.2-124.0 -98.8 31.9 -0.5 -9.2 2.0 50 50 A R < + 0 0 200 -5,-0.7 2,-0.5 -4,-0.3 -4,-0.2 0.455 49.5 162.8 45.3 -2.0 1.2 -8.8 5.4 51 51 A L - 0 0 15 -2,-0.3 5,-0.4 -6,-0.2 -5,-0.2 -0.196 55.5-110.0 -46.7 95.8 1.5 -5.1 4.8 52 52 A T > - 0 0 80 -2,-0.5 4,-2.6 3,-0.2 5,-0.2 -0.015 30.6-104.1 -35.0 129.5 2.1 -4.6 8.5 53 53 A P H >> S+ 0 0 38 0, 0.0 3,-1.7 0, 0.0 4,-1.5 0.788 120.8 37.4 -23.6 -82.1 -1.0 -2.9 10.0 54 54 A T H 3> S+ 0 0 80 1,-0.3 4,-3.2 2,-0.2 3,-0.5 0.938 113.1 57.6 -43.1 -57.2 0.5 0.6 10.3 55 55 A Q H 3> S+ 0 0 90 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.884 103.0 57.8 -43.5 -35.8 2.5 0.1 7.1 56 56 A V H S+ 0 0 21 -4,-1.8 4,-5.3 2,-0.2 5,-0.6 0.938 104.3 71.0 -77.7 -46.8 -2.8 7.1 -2.2 64 64 A R H <5S+ 0 0 116 -4,-5.7 4,-0.4 -5,-0.3 -2,-0.2 0.885 107.4 39.5 -34.5 -53.7 -5.2 9.2 -0.1 65 65 A Y H X5S+ 0 0 151 -4,-1.8 4,-0.6 -5,-0.3 3,-0.4 0.925 127.0 35.0 -66.9 -43.6 -3.7 12.3 -1.7 66 66 A K H >X5S+ 0 0 96 -4,-1.2 4,-2.1 -5,-0.3 3,-2.0 0.925 100.5 73.4 -78.9 -43.3 -3.5 10.7 -5.2 67 67 A T H 3X5S+ 0 0 29 -4,-5.3 4,-1.0 1,-0.3 -1,-0.2 0.761 99.2 55.3 -42.8 -15.6 -6.7 8.5 -4.9 68 68 A K H 3>X S+ 0 0 27 -4,-2.1 4,-0.7 1,-0.2 3,-0.5 0.970 104.0 48.2 -54.9 -54.1 -7.6 9.4 -10.0 71 71 A Q H 3< S+ 0 0 144 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.909 109.1 54.8 -54.7 -39.6 -11.2 10.6 -9.7 72 72 A N H 3< S+ 0 0 120 -4,-1.6 -1,-0.3 2,-0.0 -2,-0.2 0.882 122.0 29.5 -63.9 -33.0 -10.2 13.8 -11.4 73 73 A E H << S+ 0 0 116 -4,-2.1 4,-0.2 -3,-0.5 -2,-0.2 0.844 92.1 100.5 -87.5 -85.9 -8.8 11.8 -14.3 74 74 A K < + 0 0 112 -4,-0.7 3,-0.1 -5,-0.1 -3,-0.1 0.069 52.5 85.1 34.5-148.9 -10.9 8.6 -14.5 75 75 A G S S- 0 0 77 1,-0.2 -1,-0.0 2,-0.1 -2,-0.0 -0.053 111.3 -61.9 53.7-165.2 -13.5 8.9 -17.2 76 76 A Y S S- 0 0 201 -3,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.706 71.0-135.6 -87.4 -19.3 -12.3 7.9 -20.7 77 77 A E S S+ 0 0 110 -4,-0.2 2,-0.4 -3,-0.1 -2,-0.1 0.708 70.6 55.0 68.4 118.9 -9.8 10.7 -20.8 78 78 A G S S- 0 0 74 2,-0.1 -1,-0.1 0, 0.0 -3,-0.0 -0.912 105.3 -51.4 133.0-109.4 -9.6 12.7 -24.1 79 79 A H 0 0 167 -2,-0.4 0, 0.0 -3,-0.1 0, 0.0 -0.566 360.0 360.0-172.3 101.5 -12.8 14.4 -25.4 80 80 A P 0 0 161 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.622 360.0 360.0 -98.3 360.0 -16.1 12.7 -26.0