==== 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 HYDROLASE INHIBITOR 11-AUG-03 1Q5X . COMPND 2 MOLECULE: REGULATOR OF RNASE E ACTIVITY A; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.F.MONZINGO,J.GAO,J.QIU,G.GEORGIOU,J.D.ROBERTUS . 473 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19477.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 18.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 14.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 . 41 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 3 0 0 3 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 0 2 0 6 0 1 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 9 3 6 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 . 3 0 0 0 0 0 0 0 1 2 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 K 0 0 210 0, 0.0 2,-0.4 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 -47.4 24.0 43.5 -10.6 2 3 A Y - 0 0 35 143,-0.2 2,-0.5 4,-0.0 3,-0.1 -0.837 360.0-176.3-105.8 134.3 21.1 43.4 -8.2 3 4 A D > - 0 0 35 -2,-0.4 4,-2.5 1,-0.1 3,-0.2 -0.908 6.7-168.6-123.5 96.8 21.1 42.0 -4.6 4 5 A T H > S+ 0 0 0 -2,-0.5 4,-2.1 1,-0.2 -1,-0.1 0.767 85.9 59.3 -59.0 -27.4 17.6 42.2 -3.3 5 6 A S H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 432,-0.2 0.955 108.8 43.1 -65.9 -49.0 18.8 41.4 0.2 6 7 A E H > S+ 0 0 102 -3,-0.2 4,-2.9 1,-0.2 5,-0.2 0.941 112.5 52.8 -61.2 -48.3 21.0 44.5 0.2 7 8 A L H X S+ 0 0 23 -4,-2.5 4,-3.2 1,-0.3 5,-0.3 0.895 109.6 50.3 -55.2 -38.8 18.3 46.6 -1.3 8 9 A C H X S+ 0 0 7 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.3 0.867 109.3 50.7 -66.7 -37.5 16.0 45.4 1.5 9 10 A D H < S+ 0 0 75 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.919 117.0 40.4 -66.4 -42.6 18.6 46.3 4.1 10 11 A I H < S+ 0 0 99 -4,-2.9 -2,-0.2 1,-0.1 -3,-0.2 0.959 126.5 30.4 -71.9 -50.1 19.0 49.8 2.6 11 12 A Y H >< S+ 0 0 77 -4,-3.2 3,-2.4 -5,-0.2 -3,-0.2 0.643 78.3 173.5 -89.4 -16.2 15.3 50.6 1.8 12 13 A Q G >< S+ 0 0 99 -4,-2.0 3,-1.4 -5,-0.3 -1,-0.2 -0.172 73.9 4.5 51.0-126.2 13.4 48.7 4.5 13 14 A E G 3 S+ 0 0 156 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.386 116.6 81.0 -71.9 3.9 9.7 49.5 4.4 14 15 A D G < S+ 0 0 126 -3,-2.4 140,-0.5 -6,-0.1 2,-0.3 0.500 92.2 53.7 -88.3 -3.3 10.2 51.6 1.3 15 16 A V S < S- 0 0 7 -3,-1.4 2,-0.3 138,-0.1 138,-0.2 -0.897 79.9-134.5-124.7 154.7 10.2 48.5 -0.9 16 17 A N E -A 152 0A 94 136,-2.9 136,-2.4 -2,-0.3 2,-0.5 -0.808 14.4-141.8-108.2 153.7 7.6 45.7 -1.1 17 18 A V E -A 151 0A 41 -2,-0.3 134,-0.2 134,-0.2 2,-0.2 -0.968 11.2-133.2-121.7 128.4 8.5 42.1 -1.1 18 19 A V - 0 0 7 132,-2.9 132,-0.4 -2,-0.5 116,-0.2 -0.540 36.0 -97.0 -77.6 140.8 6.7 39.5 -3.2 19 20 A E - 0 0 96 114,-2.6 2,-2.4 -2,-0.2 3,-0.2 -0.274 45.4-103.4 -53.7 142.2 5.7 36.2 -1.4 20 21 A P S S+ 0 0 57 0, 0.0 -1,-0.2 0, 0.0 413,-0.1 -0.381 83.7 119.9 -70.9 66.2 8.4 33.6 -2.2 21 22 A L + 0 0 81 -2,-2.4 2,-0.3 112,-0.1 -2,-0.1 0.299 52.2 86.5-112.9 6.6 6.3 31.7 -4.8 22 23 A F - 0 0 32 -3,-0.2 2,-0.3 -4,-0.1 89,-0.2 -0.778 51.9-162.2-115.2 156.0 8.7 32.1 -7.8 23 24 A S E -B 110 0A 54 87,-2.1 87,-1.9 -2,-0.3 2,-0.5 -0.937 31.6-101.3-131.2 154.1 11.7 30.3 -9.2 24 25 A N E +B 109 0A 44 -2,-0.3 85,-0.2 85,-0.2 5,-0.1 -0.617 43.0 158.0 -78.2 121.3 14.3 31.3 -11.7 25 26 A F + 0 0 22 83,-3.3 84,-0.2 -2,-0.5 -1,-0.1 0.411 51.5 83.7-120.1 -4.8 13.8 30.0 -15.3 26 27 A G S S- 0 0 7 82,-1.0 76,-0.2 2,-0.2 81,-0.2 -0.451 84.4-115.9 -96.1 172.4 15.9 32.6 -17.2 27 28 A G S S+ 0 0 40 77,-1.9 2,-0.6 79,-0.6 80,-0.2 0.426 93.6 85.6 -85.6 1.7 19.6 32.7 -17.9 28 29 A R - 0 0 55 78,-1.6 80,-0.4 76,-0.2 -2,-0.2 -0.914 62.3-159.9-109.6 121.6 19.9 35.9 -15.9 29 30 A A S S+ 0 0 41 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.974 78.4 12.3 -59.5 -59.7 20.4 35.6 -12.1 30 31 A S S S+ 0 0 18 116,-0.2 2,-0.3 117,-0.1 116,-0.2 -0.911 70.1 157.6-123.2 152.2 19.2 39.1 -11.2 31 32 A F E +C 145 0A 2 114,-2.2 114,-2.6 -2,-0.3 2,-0.3 -0.953 5.4 166.6-159.1 170.9 17.5 41.8 -13.2 32 33 A G E +C 144 0A 1 -2,-0.3 2,-0.3 112,-0.2 112,-0.2 -0.970 9.3 129.3-179.8 168.3 15.4 44.8 -12.7 33 34 A G E -C 143 0A 0 110,-1.9 110,-2.4 -2,-0.3 25,-0.3 -0.949 61.6 -35.3 158.2-173.9 13.9 47.9 -14.3 34 35 A Q E -Cd 142 58A 69 23,-2.4 25,-2.4 -2,-0.3 2,-0.3 -0.528 67.1-123.7 -74.9 142.0 10.7 49.9 -14.8 35 36 A I E - d 0 59A 1 106,-2.9 105,-2.3 103,-0.2 2,-0.5 -0.683 21.5-166.8-101.7 145.4 7.7 47.6 -15.1 36 37 A I E - d 0 60A 16 23,-2.1 25,-2.6 -2,-0.3 2,-0.2 -0.988 26.2-146.9-118.3 125.7 5.0 47.2 -17.8 37 38 A T E - d 0 61A 0 -2,-0.5 90,-3.0 23,-0.2 2,-0.3 -0.553 16.3-172.8 -98.6 162.0 2.1 45.1 -16.6 38 39 A V E -Ed 126 62A 0 23,-1.5 25,-3.6 88,-0.2 2,-0.5 -0.944 10.4-157.2-153.1 128.3 -0.3 42.7 -18.3 39 40 A K E +Ed 125 63A 94 86,-3.4 86,-2.6 -2,-0.3 2,-0.3 -0.945 38.9 127.5-109.2 124.1 -3.4 41.0 -17.0 40 41 A C - 0 0 12 23,-2.5 2,-0.3 -2,-0.5 84,-0.1 -0.928 43.5-136.1-158.8 179.8 -4.3 37.8 -18.9 41 42 A F S S- 0 0 103 -2,-0.3 24,-0.1 82,-0.3 23,-0.1 -0.776 77.8 -28.4-156.8 106.5 -5.1 34.1 -18.4 42 43 A E S S+ 0 0 24 22,-0.3 77,-1.8 -2,-0.3 2,-0.3 0.855 113.9 96.4 56.0 39.4 -3.8 31.2 -20.5 43 44 A D B -k 119 0B 8 75,-0.2 3,-0.3 27,-0.1 77,-0.2 -0.853 47.7-176.9-158.0 113.4 -3.5 33.5 -23.5 44 45 A N > + 0 0 11 75,-2.5 4,-2.2 -2,-0.3 5,-0.2 0.176 51.3 111.8-102.0 18.0 -0.2 35.2 -24.4 45 46 A G H > S+ 0 0 6 74,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.937 82.5 45.7 -54.3 -50.1 -1.4 37.3 -27.3 46 47 A L H > S+ 0 0 20 77,-0.4 4,-3.4 -3,-0.3 5,-0.3 0.854 107.9 58.6 -61.6 -36.6 -0.9 40.5 -25.4 47 48 A L H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.919 107.3 45.7 -60.9 -44.1 2.5 39.4 -24.2 48 49 A Y H X S+ 0 0 51 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.947 112.9 52.7 -62.5 -44.8 3.7 39.0 -27.8 49 50 A D H >< S+ 0 0 73 -4,-2.3 3,-1.1 -5,-0.2 4,-0.5 0.956 114.4 40.0 -54.0 -55.0 2.1 42.4 -28.5 50 51 A L H >< S+ 0 0 13 -4,-3.4 3,-1.5 1,-0.3 -1,-0.2 0.887 110.0 57.9 -63.9 -41.5 4.0 44.1 -25.7 51 52 A L H 3< S+ 0 0 0 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.625 91.3 72.9 -66.4 -10.9 7.3 42.3 -26.2 52 53 A E T << S+ 0 0 126 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.831 87.7 76.5 -70.1 -31.4 7.3 43.6 -29.8 53 54 A Q S < S- 0 0 127 -3,-1.5 2,-0.1 -4,-0.5 31,-0.1 -0.422 103.2 -89.8 -77.5 154.0 8.2 47.0 -28.3 54 55 A N - 0 0 74 1,-0.1 31,-0.2 -2,-0.1 -1,-0.1 -0.400 39.4-172.5 -65.0 138.1 11.7 47.8 -27.1 55 56 A G > + 0 0 0 29,-3.2 3,-1.9 26,-0.2 32,-1.0 -0.061 22.1 151.0-126.3 36.3 12.1 46.8 -23.4 56 57 A R T 3 S+ 0 0 154 1,-0.3 30,-0.2 30,-0.2 3,-0.1 -0.484 81.9 7.7 -67.8 133.8 15.5 48.1 -22.4 57 58 A G T 3 S+ 0 0 29 28,-0.4 -23,-2.4 1,-0.2 2,-0.3 0.687 114.8 112.9 67.5 16.5 15.5 48.9 -18.7 58 59 A R E < -d 34 0A 87 -3,-1.9 29,-2.3 27,-0.3 30,-0.9 -0.885 51.6-159.0-123.5 153.8 12.0 47.4 -18.5 59 60 A V E -df 35 88A 0 -25,-2.4 -23,-2.1 -2,-0.3 2,-0.7 -0.999 18.1-135.1-131.5 131.0 10.5 44.3 -16.9 60 61 A L E -df 36 89A 1 28,-2.2 30,-2.7 -2,-0.4 2,-0.7 -0.778 15.9-161.9 -90.7 113.8 7.3 42.7 -18.0 61 62 A V E -df 37 90A 0 -25,-2.6 -23,-1.5 -2,-0.7 2,-0.6 -0.858 10.4-165.5 -97.6 112.8 5.1 41.8 -15.1 62 63 A V E -df 38 91A 1 28,-2.9 30,-3.0 -2,-0.7 2,-1.5 -0.878 16.7-159.1-106.6 115.1 2.5 39.3 -16.2 63 64 A D E +d 39 0A 17 -25,-3.6 -23,-2.5 -2,-0.6 30,-0.1 -0.703 21.4 167.9 -88.7 87.9 -0.5 38.5 -14.1 64 65 A G > - 0 0 1 -2,-1.5 3,-1.3 28,-0.4 -22,-0.3 0.230 57.9-109.0 -84.5 13.6 -1.3 35.1 -15.7 65 66 A G T 3 - 0 0 37 1,-0.2 28,-0.2 -24,-0.1 -2,-0.1 0.648 57.3 -78.6 69.3 13.6 -3.7 34.5 -12.9 66 67 A G T 3 S+ 0 0 17 26,-2.8 27,-0.3 1,-0.2 -1,-0.2 0.588 80.4 160.4 72.6 11.1 -1.4 31.9 -11.3 67 68 A S < + 0 0 12 -3,-1.3 27,-0.6 25,-0.4 -1,-0.2 -0.409 24.6 178.8 -68.3 138.8 -2.4 29.2 -13.8 68 69 A V S S+ 0 0 45 25,-0.2 -1,-0.1 -2,-0.1 3,-0.1 0.115 71.0 80.4-121.4 15.5 0.0 26.3 -14.1 69 70 A R S S+ 0 0 155 1,-0.3 2,-0.4 111,-0.1 47,-0.2 0.705 99.4 33.7 -90.8 -26.6 -2.2 24.5 -16.7 70 71 A R S S- 0 0 74 45,-0.1 24,-0.8 -27,-0.0 2,-0.4 -0.997 79.3-131.6-135.4 131.7 -1.0 26.6 -19.6 71 72 A A E -gh 94 117A 2 45,-3.0 47,-2.0 -2,-0.4 24,-0.3 -0.690 13.0-169.5 -84.5 127.5 2.4 28.2 -20.2 72 73 A L E S+ 0 0 3 22,-2.7 2,-0.4 -2,-0.4 23,-0.2 0.697 74.0 46.2 -86.4 -23.4 2.4 31.9 -21.1 73 74 A V E +g 95 0A 2 21,-0.9 23,-2.0 4,-0.1 2,-0.2 -0.984 62.8 160.7-128.2 131.3 6.1 32.0 -22.1 74 75 A D > - 0 0 13 -2,-0.4 4,-2.5 21,-0.2 5,-0.3 -0.671 57.3 -78.1-130.9-175.5 8.1 29.6 -24.2 75 76 A A H > S+ 0 0 0 -2,-0.2 4,-2.2 2,-0.2 5,-0.2 0.921 126.1 52.0 -54.2 -49.0 11.4 29.6 -26.2 76 77 A E H > S+ 0 0 114 1,-0.2 4,-1.3 2,-0.2 3,-0.3 0.962 114.5 40.3 -51.9 -60.9 9.9 31.6 -29.1 77 78 A L H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.837 113.5 53.5 -60.3 -37.8 8.4 34.4 -26.9 78 79 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.875 106.0 54.6 -67.3 -34.3 11.4 34.6 -24.6 79 80 A R H X S+ 0 0 125 -4,-2.2 4,-2.9 -3,-0.3 -1,-0.2 0.833 106.6 51.1 -66.2 -33.8 13.7 35.0 -27.6 80 81 A L H X S+ 0 0 32 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.910 108.0 52.3 -67.5 -43.4 11.5 38.0 -28.8 81 82 A A H <>S+ 0 0 0 -4,-1.9 5,-2.9 1,-0.2 -2,-0.2 0.888 113.0 45.7 -59.0 -40.6 11.9 39.5 -25.3 82 83 A V H ><5S+ 0 0 48 -4,-2.0 3,-2.3 3,-0.2 -2,-0.2 0.947 109.9 52.0 -68.7 -50.0 15.6 39.1 -25.6 83 84 A Q H 3<5S+ 0 0 138 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.863 111.5 48.2 -56.3 -36.9 15.9 40.5 -29.2 84 85 A N T 3<5S- 0 0 30 -4,-2.4 -29,-3.2 -33,-0.1 -1,-0.3 0.149 118.1-115.4 -91.0 19.9 13.9 43.5 -28.0 85 86 A E T < 5 + 0 0 86 -3,-2.3 -28,-0.4 -31,-0.2 -27,-0.3 0.675 48.1 173.1 58.9 28.0 16.2 43.9 -25.0 86 87 A W < - 0 0 6 -5,-2.9 -30,-0.2 -6,-0.2 -1,-0.2 -0.413 30.8-140.5 -67.3 140.9 13.8 43.3 -22.1 87 88 A E - 0 0 32 -29,-2.3 20,-1.7 -32,-1.0 2,-0.3 0.909 67.1 -44.6 -67.1 -44.1 15.5 43.1 -18.7 88 89 A G E -fi 59 107A 0 -30,-0.9 -28,-2.2 18,-0.2 2,-0.4 -0.987 47.0-116.0-175.9 173.0 13.3 40.3 -17.5 89 90 A L E -fi 60 108A 2 18,-2.9 20,-2.7 -2,-0.3 2,-0.6 -0.974 10.8-162.2-128.3 139.7 9.8 38.7 -17.1 90 91 A V E -fi 61 109A 1 -30,-2.7 -28,-2.9 -2,-0.4 2,-0.7 -0.928 16.4-167.7-123.2 104.6 7.9 38.0 -13.9 91 92 A I E -fi 62 110A 0 18,-3.9 2,-2.8 -2,-0.6 20,-0.9 -0.827 21.8-163.6-103.8 109.4 5.1 35.5 -14.7 92 93 A Y E S+ 0 0 59 -30,-3.0 -26,-2.8 -2,-0.7 -28,-0.4 -0.513 83.7 39.9 -81.3 69.4 2.4 34.9 -12.2 93 94 A G E S- 0 0 0 -2,-2.8 18,-2.2 -27,-0.3 19,-0.9 -0.940 102.4 -44.1 177.7-157.9 1.7 31.8 -14.2 94 95 A A E -gi 71 112A 0 -24,-0.8 -22,-2.7 -27,-0.6 -21,-0.9 -0.653 36.9-157.4-103.6 156.2 3.5 29.0 -16.0 95 96 A V E -gi 73 113A 0 17,-2.6 19,-1.7 -24,-0.3 2,-0.3 -0.638 12.0-146.5-117.0 176.1 6.5 28.9 -18.4 96 97 A R + 0 0 8 -23,-2.0 5,-0.2 -2,-0.2 4,-0.0 -0.966 65.1 27.6-147.5 160.2 7.5 26.3 -21.0 97 98 A Q >> - 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