==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 29-NOV-11 2LMC . COMPND 2 MOLECULE: BACTERIAL RNA POLYMERASE INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T7; . AUTHOR M.LIU . 120 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7277.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 78 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 28.3 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 . 2 1.7 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 . 1 0.8 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 . 16 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.7 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 0 1 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 26 A T 0 0 196 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -20.0 -20.6 -8.1 -3.8 2 27 A G - 0 0 26 1,-0.6 39,-0.0 2,-0.1 0, 0.0 -0.148 360.0 -37.6 152.7 106.6 -17.6 -6.6 -5.6 3 28 A S S S+ 0 0 54 1,-0.1 -1,-0.6 -2,-0.1 25,-0.1 -0.279 70.3 130.1 62.7-148.4 -14.0 -7.7 -5.9 4 29 A L - 0 0 62 23,-0.2 24,-0.2 -3,-0.1 -2,-0.1 0.961 29.8-176.1 62.9 93.7 -12.4 -9.2 -2.7 5 30 A S - 0 0 71 22,-2.2 2,-0.2 1,-0.3 23,-0.2 0.964 51.3 -28.8 -83.1 -76.3 -10.8 -12.5 -3.7 6 31 A V - 0 0 54 3,-0.1 -1,-0.3 20,-0.0 3,-0.2 -0.797 44.7-124.1-139.5 178.4 -9.4 -14.1 -0.5 7 32 A D + 0 0 121 -2,-0.2 22,-0.1 20,-0.2 3,-0.1 -0.196 58.3 129.9-125.0 41.0 -8.0 -13.3 2.9 8 33 A N S S+ 0 0 70 20,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.837 85.8 20.4 -63.3 -33.6 -4.6 -15.0 2.9 9 34 A K S S- 0 0 73 19,-0.6 2,-0.6 -3,-0.2 19,-0.5 -0.989 84.7-125.6-133.8 144.7 -3.2 -11.7 4.1 10 35 A K E -A 55 0A 98 45,-1.0 45,-2.3 -2,-0.3 2,-0.4 -0.807 25.5-174.5 -96.5 122.5 -5.0 -8.8 5.8 11 36 A F E -AB 54 26A 8 15,-1.1 15,-3.0 -2,-0.6 2,-0.4 -0.944 13.1-144.7-115.1 136.0 -4.6 -5.4 4.2 12 37 A W E +AB 53 25A 104 41,-1.6 41,-2.7 -2,-0.4 2,-0.4 -0.857 18.0 176.5-105.7 133.8 -6.1 -2.3 5.9 13 38 A A E -AB 52 24A 0 11,-1.8 11,-2.8 -2,-0.4 2,-0.5 -0.966 16.5-153.2-134.3 116.9 -7.5 0.6 4.0 14 39 A T E -AB 51 23A 32 37,-3.2 36,-3.4 -2,-0.4 37,-1.4 -0.805 19.8-164.7 -90.5 126.5 -9.1 3.6 5.7 15 40 A V E -AB 49 22A 0 7,-2.5 7,-2.8 -2,-0.5 2,-0.4 -0.832 8.0-153.4-115.4 149.6 -11.7 5.3 3.5 16 41 A E E -AB 48 21A 91 32,-3.1 32,-2.0 -2,-0.3 5,-0.3 -0.978 8.9-171.3-127.6 135.0 -13.4 8.7 3.7 17 42 A S - 0 0 30 3,-3.5 30,-0.1 -2,-0.4 29,-0.0 -0.200 54.2 -69.3-103.1-162.9 -16.8 9.7 2.5 18 43 A S S S- 0 0 139 -2,-0.1 3,-0.1 1,-0.1 29,-0.0 0.823 126.3 -16.4 -61.1 -31.2 -18.5 13.1 2.2 19 44 A E S S+ 0 0 164 1,-0.1 -1,-0.1 0, 0.0 0, 0.0 0.493 122.2 81.5-138.1 -45.0 -18.7 13.1 6.0 20 45 A H - 0 0 128 -4,-0.1 -3,-3.5 1,-0.0 2,-0.3 -0.257 52.4-168.3 -71.6 155.6 -18.1 9.6 7.3 21 46 A S E +B 16 0A 73 -5,-0.3 2,-0.3 -3,-0.1 -5,-0.2 -0.968 17.6 151.9-146.8 129.2 -14.7 8.0 7.7 22 47 A F E -B 15 0A 76 -7,-2.8 -7,-2.5 -2,-0.3 2,-0.4 -0.881 37.1-115.1-148.5 174.7 -14.0 4.4 8.4 23 48 A E E +B 14 0A 141 -9,-0.3 -9,-0.3 -2,-0.3 29,-0.1 -0.974 27.8 178.4-121.8 137.7 -11.5 1.5 8.0 24 49 A V E -B 13 0A 34 -11,-2.8 -11,-1.8 -2,-0.4 2,-0.1 -1.000 26.8-119.8-140.3 135.0 -12.1 -1.6 5.9 25 50 A P E -B 12 0A 28 0, 0.0 2,-0.4 0, 0.0 -13,-0.2 -0.467 23.4-135.3 -70.6 147.1 -9.9 -4.7 5.2 26 51 A I E -B 11 0A 2 -15,-3.0 -15,-1.1 -2,-0.1 2,-0.6 -0.869 12.4-151.3-104.6 135.8 -8.9 -5.5 1.6 27 52 A Y + 0 0 82 -2,-0.4 -22,-2.2 -17,-0.1 2,-0.3 -0.915 38.9 120.2-115.6 111.4 -9.1 -9.1 0.4 28 53 A A - 0 0 0 -2,-0.6 -19,-0.6 -19,-0.5 -20,-0.3 -0.928 58.9-120.5-153.1 174.9 -6.8 -10.2 -2.3 29 54 A E S S+ 0 0 109 -2,-0.3 2,-0.2 -21,-0.1 -1,-0.1 0.918 91.5 42.8 -87.8 -51.2 -4.0 -12.7 -3.0 30 55 A T S > S- 0 0 67 1,-0.1 4,-2.3 -22,-0.0 5,-0.2 -0.612 77.9-123.9-100.7 155.7 -1.1 -10.5 -3.9 31 56 A L H > S+ 0 0 13 2,-0.2 4,-2.7 -2,-0.2 3,-0.4 0.985 115.3 41.1 -56.2 -64.2 0.1 -7.2 -2.3 32 57 A D H > S+ 0 0 44 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.850 111.6 60.0 -51.6 -38.1 -0.0 -5.2 -5.5 33 58 A E H > S+ 0 0 39 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.923 109.4 40.5 -57.2 -47.8 -3.3 -7.0 -6.3 34 59 A A H X S+ 0 0 4 -4,-2.3 4,-3.3 -3,-0.4 -2,-0.2 0.871 111.1 58.9 -68.1 -38.4 -4.8 -5.6 -3.1 35 60 A L H X S+ 0 0 6 -4,-2.7 4,-1.1 2,-0.2 5,-0.3 0.888 107.0 47.6 -57.1 -42.8 -3.1 -2.3 -3.8 36 61 A E H X S+ 0 0 85 -4,-2.7 4,-2.8 -5,-0.2 3,-0.4 0.972 115.4 44.3 -60.0 -53.7 -5.0 -2.1 -7.0 37 62 A L H X>S+ 0 0 34 -4,-2.0 4,-2.9 1,-0.2 5,-0.8 0.874 101.9 65.2 -64.0 -42.9 -8.4 -3.0 -5.5 38 63 A A H <5S+ 0 0 3 -4,-3.3 4,-0.4 2,-0.2 -1,-0.2 0.893 122.4 19.6 -49.3 -46.3 -8.1 -0.7 -2.4 39 64 A E H >X5S+ 0 0 7 -4,-1.1 4,-3.0 -3,-0.4 3,-0.6 0.943 128.9 46.5 -82.3 -61.4 -8.2 2.3 -4.7 40 65 A W H 3<5S+ 0 0 188 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.705 115.9 45.3 -63.0 -27.1 -9.7 1.0 -7.9 41 66 A Q T 3<5S+ 0 0 69 -4,-2.9 -1,-0.3 -5,-0.3 -3,-0.2 0.813 120.2 37.5 -84.5 -32.4 -12.5 -0.9 -6.2 42 67 A Y T X4XS+ 0 0 34 -5,-0.8 5,-1.7 -3,-0.6 3,-1.1 0.825 104.0 66.1 -92.2 -33.3 -13.6 1.9 -3.8 43 68 A V G ><5S+ 0 0 42 -4,-3.0 3,-1.2 1,-0.3 -3,-0.1 0.823 97.6 53.4 -64.4 -33.3 -13.1 5.0 -5.9 44 69 A P G 3 5S+ 0 0 101 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.643 102.7 61.7 -75.1 -10.9 -15.9 4.2 -8.5 45 70 A A G < 5S- 0 0 64 -3,-1.1 -2,-0.2 2,-0.2 3,-0.1 0.376 123.2-103.9 -93.6 2.4 -18.3 3.7 -5.5 46 71 A G T < 5S+ 0 0 68 -3,-1.2 2,-0.5 1,-0.3 -3,-0.2 0.487 82.9 128.5 88.8 3.0 -17.8 7.3 -4.5 47 72 A F < - 0 0 72 -5,-1.7 2,-0.6 -8,-0.1 -1,-0.3 -0.813 48.0-150.8 -95.7 127.9 -15.5 6.4 -1.6 48 73 A E E -A 16 0A 66 -32,-2.0 -32,-3.1 -2,-0.5 -9,-0.1 -0.881 15.7-131.3-102.3 117.1 -12.2 8.2 -1.4 49 74 A V E -A 15 0A 0 -2,-0.6 -34,-0.3 -34,-0.3 3,-0.1 -0.339 20.2-173.4 -62.3 143.2 -9.4 6.2 0.2 50 75 A T E - 0 0 32 -36,-3.4 2,-0.3 1,-0.4 -35,-0.2 0.796 60.4 -28.5-105.1 -48.5 -7.4 8.1 2.8 51 76 A R E -A 14 0A 111 -37,-1.4 -37,-3.2 47,-0.1 -1,-0.4 -0.975 53.5-147.5-165.8 155.0 -4.6 5.7 3.7 52 77 A V E -A 13 0A 12 45,-1.1 -39,-0.3 -2,-0.3 -17,-0.0 -0.936 5.6-168.7-130.5 157.3 -3.7 2.0 3.8 53 78 A R E -A 12 0A 131 -41,-2.7 -41,-1.6 -2,-0.3 2,-0.2 -0.825 16.5-146.6-145.5 102.9 -1.5 -0.2 5.9 54 79 A P E -A 11 0A 16 0, 0.0 2,-0.5 0, 0.0 -43,-0.2 -0.491 7.7-160.8 -65.2 133.2 -0.8 -3.8 4.7 55 80 A C E +A 10 0A 47 -45,-2.3 -45,-1.0 -2,-0.2 -2,-0.0 -0.805 31.5 145.8-120.0 88.5 -0.5 -6.3 7.6 56 81 A V + 0 0 33 -2,-0.5 -46,-0.2 -47,-0.2 -1,-0.1 0.961 17.5 176.1 -84.4 -68.2 1.3 -9.3 6.3 57 82 A A - 0 0 61 1,-0.1 -2,-0.0 -48,-0.1 0, 0.0 0.978 47.3 -99.4 54.5 87.5 3.5 -10.6 9.2 58 83 A P 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.054 360.0 360.0 -40.0 128.3 5.1 -13.8 7.8 59 84 A K 0 0 197 0, 0.0 -2,-0.0 0, 0.0 -3,-0.0 -0.766 360.0 360.0 -98.6 360.0 3.3 -17.0 8.8 60 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 61 24 B P 0 0 56 0, 0.0 59,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 155.3 7.8 0.5 8.9 62 25 B A - 0 0 26 57,-0.4 2,-0.2 53,-0.1 58,-0.2 0.096 360.0 -12.3-146.9 -87.8 8.0 4.2 9.1 63 26 B I B S+C 119 0B 5 56,-2.4 56,-1.9 52,-0.2 55,-1.8 -0.604 114.5 87.2-122.1 66.5 9.8 6.1 6.3 64 27 B L S S- 0 0 17 -2,-0.2 2,-0.5 53,-0.2 41,-0.2 -0.873 81.4 -93.3-150.2 174.5 11.5 3.1 4.7 65 28 B A B -d 114 0C 0 48,-0.7 50,-3.4 -2,-0.3 51,-0.2 -0.935 23.5-148.8-100.5 123.3 11.3 0.3 2.3 66 29 B E S S+ 0 0 65 -2,-0.5 2,-0.3 48,-0.2 -1,-0.1 0.768 88.7 29.0 -61.6 -24.4 10.0 -2.9 3.9 67 30 B I S S- 0 0 0 27,-0.1 2,-0.3 46,-0.1 48,-0.1 -0.950 91.0-108.7-133.9 153.3 12.1 -4.7 1.3 68 31 B S S S+ 0 0 7 -2,-0.3 20,-2.9 46,-0.1 21,-1.5 -0.655 71.9 72.5 -83.4 138.5 15.4 -3.8 -0.5 69 32 B G E S-EF 87 112D 0 43,-2.3 43,-2.7 -2,-0.3 2,-0.8 -0.990 88.9 -28.9 158.2-156.9 15.1 -3.1 -4.1 70 33 B I E -EF 86 111D 57 16,-2.4 16,-2.8 -2,-0.3 2,-0.4 -0.843 53.6-154.5 -97.3 107.3 13.9 -0.5 -6.6 71 34 B V E +EF 85 110D 0 39,-2.5 39,-1.7 -2,-0.8 38,-1.6 -0.681 20.5 176.9 -82.1 128.3 11.0 1.5 -5.1 72 35 B S E -E 84 0D 30 12,-2.3 12,-2.7 -2,-0.4 2,-0.3 -0.879 20.6-128.8-130.7 163.6 8.7 3.0 -7.8 73 36 B F E +E 83 0D 25 -2,-0.3 2,-0.2 10,-0.2 10,-0.2 -0.788 23.3 176.6-113.7 155.3 5.5 5.0 -7.9 74 37 B G E -E 82 0D 22 8,-0.9 8,-1.3 -2,-0.3 34,-0.0 -0.681 42.1 -22.7-138.8-162.2 2.3 4.5 -9.8 75 38 B K - 0 0 65 -2,-0.2 2,-0.4 6,-0.2 -1,-0.2 -0.007 45.8-164.8 -54.2 141.0 -1.3 5.9 -10.3 76 39 B E - 0 0 77 5,-0.1 -1,-0.1 4,-0.1 21,-0.0 -0.967 12.3-152.4-130.2 116.7 -2.8 8.0 -7.5 77 40 B T S S- 0 0 61 -2,-0.4 -1,-0.1 2,-0.1 -2,-0.0 0.774 82.7 -21.2 -58.8 -30.3 -6.6 8.5 -7.8 78 41 B K S S- 0 0 133 -29,-0.0 -2,-0.1 0, 0.0 -30,-0.0 0.355 129.9 -17.7-142.9 -81.7 -6.5 11.9 -5.9 79 42 B G S S+ 0 0 22 2,-0.0 21,-1.7 -29,-0.0 22,-0.5 -0.262 103.4 101.8-135.2 46.2 -3.6 12.8 -3.7 80 43 B K - 0 0 5 19,-0.3 2,-0.3 20,-0.2 -4,-0.1 -0.273 59.4-130.6-113.4-163.6 -1.9 9.5 -3.0 81 44 B R - 0 0 47 17,-0.2 17,-1.3 -2,-0.1 2,-0.8 -0.862 14.7-131.7-158.7 121.1 1.1 7.6 -4.2 82 45 B R E -EG 74 97D 46 -8,-1.3 2,-0.9 -2,-0.3 -8,-0.9 -0.670 22.5-155.7 -77.7 111.2 1.2 4.0 -5.5 83 46 B L E +EG 73 96D 5 13,-2.6 13,-2.4 -2,-0.8 2,-0.6 -0.778 21.9 166.7 -92.7 102.6 4.2 2.4 -3.7 84 47 B V E -EG 72 95D 25 -12,-2.7 -12,-2.3 -2,-0.9 2,-0.4 -0.919 15.3-165.1-118.7 104.0 5.4 -0.5 -5.7 85 48 B I E -EG 71 94D 8 9,-1.5 9,-0.6 -2,-0.6 -14,-0.3 -0.746 12.8-146.5 -93.3 133.2 8.8 -1.8 -4.6 86 49 B T E -E 70 0D 78 -16,-2.8 -16,-2.4 -2,-0.4 -15,-0.0 -0.833 24.9-138.4 -98.7 96.6 10.8 -4.1 -6.8 87 50 B P E +E 69 0D 36 0, 0.0 -18,-0.3 0, 0.0 -19,-0.0 -0.259 34.3 167.7 -61.3 134.6 12.7 -6.5 -4.4 88 51 B V S S+ 0 0 73 -20,-2.9 -19,-0.2 4,-0.1 3,-0.1 0.425 75.8 69.5-113.2 -13.3 16.3 -7.4 -5.1 89 52 B D S S- 0 0 92 -21,-1.5 2,-0.3 1,-0.3 -20,-0.1 0.689 120.0 -42.0 -80.3 -20.4 16.7 -8.9 -1.6 90 53 B G S S- 0 0 33 -22,-0.3 2,-2.3 2,-0.1 -1,-0.3 -0.932 72.4 -68.6 169.3 171.4 14.5 -11.8 -2.5 91 54 B S S S+ 0 0 128 -2,-0.3 -3,-0.0 -3,-0.1 0, 0.0 -0.390 81.8 126.9 -80.7 63.1 11.2 -12.8 -4.2 92 55 B D - 0 0 84 -2,-2.3 -3,-0.1 2,-0.0 -2,-0.1 -0.854 49.7-149.4-125.1 93.2 9.1 -11.1 -1.6 93 56 B P + 0 0 65 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 -0.358 17.6 178.4 -64.2 137.2 6.6 -8.7 -3.1 94 57 B Y E +G 85 0D 16 -9,-0.6 -9,-1.5 -2,-0.1 2,-0.4 -0.873 8.7 158.3-145.5 110.0 5.6 -5.6 -1.1 95 58 B E E +G 84 0D 19 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.980 6.1 157.1-132.1 142.2 3.2 -3.0 -2.5 96 59 B E E -G 83 0D 26 -13,-2.4 -13,-2.6 -2,-0.4 2,-0.7 -0.947 42.5-106.2-154.6 174.1 1.1 -0.4 -0.7 97 60 B M E +G 82 0D 2 -2,-0.3 -45,-1.1 -15,-0.2 -15,-0.2 -0.837 35.8 178.8-112.9 92.4 -0.8 2.9 -1.1 98 61 B I - 0 0 25 -17,-1.3 -17,-0.2 -2,-0.7 -47,-0.1 -0.842 31.3-117.3 -95.5 123.5 1.1 5.6 0.7 99 62 B P > - 0 0 2 0, 0.0 3,-1.2 0, 0.0 -19,-0.3 -0.185 17.5-120.9 -57.8 153.1 -0.5 9.1 0.4 100 63 B K T 3 S+ 0 0 131 -21,-1.7 4,-0.2 1,-0.3 -20,-0.2 0.687 111.4 63.7 -72.8 -17.7 1.5 11.9 -1.3 101 64 B W T 3 S+ 0 0 153 -22,-0.5 -1,-0.3 2,-0.1 2,-0.2 0.686 85.9 94.7 -78.6 -18.1 1.4 14.0 1.9 102 65 B R S < S- 0 0 92 -3,-1.2 2,-0.9 1,-0.1 -4,-0.0 -0.545 91.1-112.0 -75.0 135.1 3.4 11.3 3.6 103 66 B Q - 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