==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GENE REGULATION 09-JUL-99 1QD9 . COMPND 2 MOLECULE: PURINE REGULATORY PROTEIN YABJ; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR J.L.SMITH,S.SINHA,P.RAPPU,S.C.LANGE,P.MANTSALA,H.ZALKIN . 372 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14765.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 22.6 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 . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 26 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 19.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 0 3 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 3 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 . 9 0 6 3 0 0 3 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 2 1 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 2 A T 0 0 107 0, 0.0 2,-0.3 0, 0.0 21,-0.2 0.000 360.0 360.0 360.0 149.1 4.0 23.2 4.2 2 3 A K E -A 21 0A 138 19,-2.0 19,-2.8 2,-0.0 2,-0.3 -0.998 360.0-126.6-148.7 138.9 6.2 26.2 3.8 3 4 A A E -A 20 0A 33 -2,-0.3 2,-0.4 17,-0.2 17,-0.2 -0.650 30.7-132.4 -81.8 142.8 9.0 27.9 5.7 4 5 A V E -A 19 0A 5 15,-2.8 14,-0.7 -2,-0.3 15,-0.7 -0.842 24.7-175.5 -99.3 132.8 8.3 31.6 6.3 5 6 A H + 0 0 130 -2,-0.4 2,-0.4 13,-0.1 6,-0.1 -0.991 8.0 165.7-131.1 126.2 11.1 34.1 5.5 6 7 A T > - 0 0 12 -2,-0.4 3,-0.8 4,-0.1 53,-0.1 -0.998 33.5-152.3-141.9 136.3 10.9 37.9 6.1 7 8 A K T 3 S+ 0 0 183 -2,-0.4 4,-0.1 1,-0.2 -1,-0.1 0.413 91.7 77.0 -81.3 2.4 13.6 40.6 6.2 8 9 A H T 3 S+ 0 0 131 50,-0.1 50,-0.2 2,-0.1 -1,-0.2 0.206 96.0 45.4 -99.1 15.2 11.4 42.5 8.6 9 10 A A S < S- 0 0 2 -3,-0.8 26,-0.1 27,-0.2 -3,-0.1 -0.946 109.6 -71.4-145.9 158.2 12.4 40.3 11.6 10 11 A P - 0 0 13 0, 0.0 -4,-0.1 0, 0.0 27,-0.1 -0.255 61.6-102.4 -55.9 139.5 15.8 39.0 12.7 11 12 A A - 0 0 54 25,-0.6 2,-1.0 -4,-0.1 -4,-0.1 -0.280 27.1-118.5 -62.8 146.7 17.1 36.4 10.3 12 13 A A - 0 0 26 -3,-0.1 2,-0.7 2,-0.0 4,-0.1 -0.800 35.0-169.2 -87.4 106.5 16.9 32.7 11.4 13 14 A I + 0 0 135 -2,-1.0 4,-0.1 2,-0.1 -2,-0.0 -0.882 52.4 9.7-102.0 115.4 20.5 31.7 11.4 14 15 A G S S- 0 0 29 -2,-0.7 2,-1.7 2,-0.1 -2,-0.0 -0.778 117.4 -17.8 119.4-166.2 21.0 28.0 11.8 15 16 A P S S+ 0 0 12 0, 0.0 2,-0.3 0, 0.0 331,-0.1 -0.252 108.9 71.4 -77.9 49.8 18.6 25.0 11.7 16 17 A Y - 0 0 56 -2,-1.7 2,-0.3 332,-0.2 334,-0.2 -0.967 67.5-129.6-154.6 164.2 15.3 26.7 12.2 17 18 A S B -h 350 0B 6 332,-1.6 334,-0.5 -2,-0.3 3,-0.1 -0.864 27.9-117.5-115.6 154.0 12.9 29.0 10.3 18 19 A Q S S- 0 0 8 -14,-0.7 11,-2.5 -2,-0.3 2,-0.3 0.833 95.7 -23.6 -57.6 -31.4 11.3 32.2 11.5 19 20 A G E -AB 4 28A 0 -15,-0.7 -15,-2.8 9,-0.3 2,-0.4 -0.968 60.8-134.8-169.5 168.3 8.0 30.3 11.1 20 21 A I E -AB 3 27A 7 7,-2.3 7,-2.8 -2,-0.3 2,-0.5 -0.997 7.7-148.6-137.6 137.9 6.3 27.4 9.4 21 22 A I E +AB 2 26A 25 -19,-2.8 -19,-2.0 -2,-0.4 2,-0.4 -0.935 23.1 169.7-106.5 128.8 2.9 27.1 7.6 22 23 A V E > - B 0 25A 2 3,-2.6 3,-2.8 -2,-0.5 2,-0.2 -0.995 62.9 -30.2-139.5 132.7 1.2 23.7 7.8 23 24 A N T 3 S- 0 0 88 -2,-0.4 349,-0.0 1,-0.3 -2,-0.0 -0.447 126.4 -34.3 56.8-125.6 -2.3 23.0 6.7 24 25 A N T 3 S+ 0 0 61 -2,-0.2 99,-2.9 -3,-0.1 2,-0.3 0.085 120.8 96.6-110.8 24.8 -4.1 26.3 7.4 25 26 A M E < -BC 22 122A 14 -3,-2.8 -3,-2.6 97,-0.2 2,-0.4 -0.851 57.2-150.8-118.5 151.6 -2.0 27.1 10.5 26 27 A F E -BC 21 121A 0 95,-3.1 95,-2.5 -2,-0.3 2,-0.5 -0.965 7.3-167.6-119.6 130.7 1.1 29.2 11.2 27 28 A Y E -BC 20 120A 9 -7,-2.8 -7,-2.3 -2,-0.4 93,-0.2 -0.979 10.5-157.1-116.2 122.7 3.7 28.4 13.9 28 29 A S E -B 19 0A 0 91,-2.7 -9,-0.3 -2,-0.5 2,-0.2 -0.595 18.9-118.4 -93.9 160.4 6.3 31.1 14.7 29 30 A S - 0 0 2 -11,-2.5 2,-0.3 -2,-0.2 90,-0.3 -0.506 53.4 -80.4 -80.8 163.6 9.6 30.5 16.4 30 31 A G - 0 0 15 321,-1.9 2,-0.4 -2,-0.2 88,-0.3 -0.523 51.2-139.8 -68.2 129.9 9.9 32.3 19.7 31 32 A Q B -D 117 0A 10 86,-3.1 86,-2.0 -2,-0.3 21,-0.1 -0.778 17.4-167.3 -96.1 138.1 10.8 35.9 19.0 32 33 A I - 0 0 23 -2,-0.4 2,-1.6 84,-0.2 84,-0.1 -0.724 42.0 -86.1-114.5 167.4 13.3 37.8 21.1 33 34 A P S S+ 0 0 0 0, 0.0 8,-3.1 0, 0.0 2,-0.3 0.023 79.4 130.3 -66.7 33.3 14.0 41.6 21.3 34 35 A L B -P 40 0C 18 -2,-1.6 6,-0.2 6,-0.2 21,-0.1 -0.628 55.9-126.1 -87.6 147.9 16.5 41.6 18.4 35 36 A T > - 0 0 26 4,-2.8 3,-2.5 -2,-0.3 -26,-0.1 -0.410 34.6 -99.3 -82.9 166.5 16.2 44.2 15.5 36 37 A P T 3 S+ 0 0 63 0, 0.0 -25,-0.6 0, 0.0 -27,-0.2 0.837 125.5 59.5 -56.4 -29.8 16.1 42.9 11.9 37 38 A S T 3 S- 0 0 92 -27,-0.1 -29,-0.0 2,-0.1 -30,-0.0 0.473 123.4-104.9 -78.1 -0.9 19.8 43.8 11.7 38 39 A G S < S+ 0 0 43 -3,-2.5 2,-0.4 1,-0.3 -1,-0.1 0.531 76.2 130.2 94.5 5.2 20.6 41.4 14.5 39 40 A E - 0 0 131 1,-0.0 -4,-2.8 3,-0.0 -1,-0.3 -0.762 63.1-112.2 -97.0 139.5 21.2 43.8 17.4 40 41 A M B -P 34 0C 58 -2,-0.4 -6,-0.2 -6,-0.2 -1,-0.0 -0.488 46.1-102.0 -66.4 131.9 19.5 43.4 20.8 41 42 A V - 0 0 18 -8,-3.1 2,-0.4 -2,-0.2 -1,-0.1 -0.250 31.7-125.3 -58.1 138.6 17.1 46.3 21.3 42 43 A N + 0 0 133 5,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.753 67.1 46.6 -86.9 128.2 18.4 49.1 23.5 43 44 A G S S- 0 0 42 -2,-0.4 -2,-0.0 4,-0.1 0, 0.0 -0.815 82.6 -42.9 138.3-176.6 16.1 49.9 26.4 44 45 A D > - 0 0 86 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 0.074 69.4 -78.1 -78.5-168.1 13.8 48.7 29.2 45 46 A I H > S+ 0 0 8 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.881 128.6 52.0 -63.1 -38.4 11.4 45.8 29.3 46 47 A K H > S+ 0 0 69 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.922 110.4 47.6 -66.1 -42.0 8.6 47.7 27.5 47 48 A E H > S+ 0 0 95 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.886 112.8 49.4 -65.3 -38.6 11.0 48.6 24.6 48 49 A Q H X S+ 0 0 20 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.924 111.0 50.0 -66.4 -41.6 12.2 45.0 24.4 49 50 A T H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.891 107.8 53.6 -64.6 -38.3 8.6 43.8 24.4 50 51 A H H X S+ 0 0 60 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.896 107.6 50.5 -63.2 -38.8 7.7 46.2 21.6 51 52 A Q H X S+ 0 0 33 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.895 107.4 53.8 -67.5 -38.0 10.6 44.9 19.5 52 53 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.943 110.2 47.8 -61.0 -43.0 9.3 41.3 20.0 53 54 A F H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.874 107.7 53.7 -67.2 -34.8 5.9 42.4 18.8 54 55 A S H X S+ 0 0 57 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.924 110.9 48.9 -62.5 -40.1 7.4 44.1 15.7 55 56 A N H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.911 111.7 47.3 -65.0 -43.2 9.1 40.8 15.0 56 57 A L H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 5,-0.3 0.920 109.5 54.0 -63.6 -43.2 5.9 38.8 15.4 57 58 A K H X S+ 0 0 92 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.924 108.8 50.3 -56.9 -44.6 4.0 41.2 13.2 58 59 A A H X S+ 0 0 12 -4,-2.1 4,-2.0 -50,-0.2 -1,-0.2 0.918 115.1 40.4 -61.1 -47.8 6.6 40.8 10.5 59 60 A V H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.900 114.9 52.6 -71.7 -38.1 6.5 36.9 10.5 60 61 A L H <>S+ 0 0 0 -4,-3.3 5,-3.0 -5,-0.2 4,-0.4 0.956 112.7 44.1 -59.8 -50.7 2.7 36.8 11.0 61 62 A E H ><5S+ 0 0 103 -4,-2.6 3,-1.4 -5,-0.3 -1,-0.2 0.898 110.2 53.6 -64.4 -39.6 2.0 39.1 8.0 62 63 A E H 3<5S+ 0 0 109 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.864 109.7 51.4 -62.1 -33.2 4.6 37.3 5.8 63 64 A A T 3<5S- 0 0 6 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.495 121.7-106.9 -80.5 -6.4 2.7 34.1 6.6 64 65 A G T < 5S+ 0 0 37 -3,-1.4 60,-0.9 -4,-0.4 -3,-0.2 0.727 87.5 105.2 86.1 20.3 -0.7 35.5 5.7 65 66 A A < - 0 0 4 -5,-3.0 -1,-0.3 58,-0.2 2,-0.3 -0.556 48.9-162.3-118.8-173.6 -1.8 35.8 9.3 66 67 A S > - 0 0 13 56,-0.3 3,-1.6 -2,-0.2 4,-0.4 -0.959 42.9 -89.8-160.5 172.8 -2.2 38.7 11.8 67 68 A F G > S+ 0 0 15 -2,-0.3 3,-1.2 1,-0.3 -1,-0.1 0.870 123.8 63.1 -60.7 -30.3 -2.5 39.4 15.5 68 69 A E G 3 S+ 0 0 117 1,-0.2 -1,-0.3 -3,-0.0 30,-0.1 0.674 104.9 45.1 -68.6 -16.4 -6.3 39.1 14.9 69 70 A T G < S+ 0 0 21 -3,-1.6 53,-2.4 53,-0.1 2,-0.3 0.357 79.8 122.4-107.9 5.8 -5.8 35.4 13.9 70 71 A V E < -E 121 0A 0 -3,-1.2 51,-0.3 -4,-0.4 3,-0.1 -0.516 34.5-179.8 -67.8 129.1 -3.4 34.4 16.7 71 72 A V E + 0 0 0 49,-2.8 29,-2.7 1,-0.3 2,-0.3 0.779 63.7 12.9-100.1 -30.8 -5.0 31.5 18.6 72 73 A K E -Ef 120 100A 9 48,-1.6 48,-2.1 27,-0.2 -1,-0.3 -0.996 59.7-174.8-151.0 138.2 -2.4 30.7 21.3 73 74 A A E -Ef 119 101A 1 27,-2.0 29,-1.2 -2,-0.3 2,-0.4 -0.940 11.3-155.0-131.5 150.4 0.7 32.5 22.6 74 75 A T E -Ef 118 102A 7 44,-2.2 44,-2.1 -2,-0.3 2,-0.5 -0.997 11.5-162.2-126.0 126.7 3.4 31.4 25.1 75 76 A V E -Ef 117 103A 2 27,-2.8 29,-2.2 -2,-0.4 2,-0.5 -0.943 4.1-169.8-111.8 125.2 5.3 34.2 26.9 76 77 A F E -Ef 116 104A 6 40,-2.9 40,-2.3 -2,-0.5 2,-0.3 -0.973 12.6-173.9-112.9 123.4 8.6 33.4 28.6 77 78 A I E -Ef 115 105A 3 27,-2.6 29,-2.0 -2,-0.5 38,-0.2 -0.911 30.2-140.6-122.0 152.2 9.9 36.2 30.8 78 79 A A S S+ 0 0 31 36,-2.4 2,-0.3 -2,-0.3 37,-0.1 0.764 93.8 25.2 -76.2 -26.6 13.2 36.6 32.7 79 80 A D > - 0 0 62 35,-0.5 3,-2.4 1,-0.1 -1,-0.2 -0.902 58.8-157.1-146.1 113.1 11.5 38.2 35.8 80 81 A M G > S+ 0 0 20 -2,-0.3 3,-1.9 1,-0.3 4,-0.3 0.732 93.4 73.0 -58.7 -21.8 7.9 37.8 36.9 81 82 A E G 3 S+ 0 0 130 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.712 94.7 53.4 -67.4 -15.7 8.2 41.1 38.8 82 83 A Q G <> S+ 0 0 46 -3,-2.4 4,-2.0 1,-0.2 -1,-0.3 0.214 76.5 109.3-100.7 13.6 8.1 42.7 35.3 83 84 A F H <> S+ 0 0 51 -3,-1.9 4,-3.1 1,-0.2 5,-0.2 0.908 73.9 52.6 -56.1 -48.3 4.8 40.9 34.3 84 85 A A H > S+ 0 0 68 -4,-0.3 4,-2.1 -3,-0.3 -1,-0.2 0.900 110.0 49.1 -58.2 -40.9 2.6 44.0 34.5 85 86 A E H > S+ 0 0 68 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.908 113.6 44.7 -65.2 -44.5 4.9 45.9 32.2 86 87 A V H X S+ 0 0 7 -4,-2.0 4,-2.8 1,-0.2 3,-0.2 0.931 113.4 52.1 -65.1 -43.7 5.1 43.1 29.6 87 88 A N H X S+ 0 0 35 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.851 103.1 57.5 -60.5 -38.7 1.3 42.7 29.9 88 89 A E H X S+ 0 0 109 -4,-2.1 4,-0.6 -5,-0.2 -1,-0.2 0.892 113.3 39.4 -61.5 -40.1 0.6 46.4 29.2 89 90 A V H >X S+ 0 0 0 -4,-1.3 3,-1.1 -3,-0.2 4,-0.8 0.920 113.3 55.0 -74.8 -43.7 2.5 46.2 25.9 90 91 A Y H >X S+ 0 0 1 -4,-2.8 4,-1.3 1,-0.3 3,-1.1 0.901 104.5 56.4 -53.0 -44.2 1.1 42.8 25.1 91 92 A G H 3< S+ 0 0 21 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.708 94.3 65.9 -63.6 -24.4 -2.4 44.2 25.6 92 93 A Q H << S+ 0 0 107 -3,-1.1 3,-0.4 -4,-0.6 -1,-0.3 0.819 109.1 38.4 -68.2 -29.3 -1.8 47.0 23.0 93 94 A Y H << S+ 0 0 54 -3,-1.1 2,-0.3 -4,-0.8 -2,-0.2 0.712 119.7 44.6 -93.6 -24.4 -1.6 44.3 20.2 94 95 A F S < S+ 0 0 3 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.1 -0.610 75.7 148.0-117.6 64.6 -4.3 42.0 21.5 95 96 A D S S- 0 0 119 -3,-0.4 -1,-0.2 -2,-0.3 3,-0.1 0.821 82.2 -7.8 -70.2 -41.3 -6.7 44.8 22.2 96 97 A T S S+ 0 0 117 1,-0.2 2,-0.6 -3,-0.2 -1,-0.1 0.480 124.7 74.5-132.6 -24.4 -10.0 43.2 21.6 97 98 A H - 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