==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 18-JAN-03 1NPP . COMPND 2 MOLECULE: TRANSCRIPTION ANTITERMINATION PROTEIN NUSG; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR J.R.KNOWLTON,M.BUBUNENKO,M.ANDRYKOVITCH,W.GUO,K.M.ROUTZAHN, . 963 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55059.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 666 69.2 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 . 329 34.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 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 . 20 2.1 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 . 105 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.1 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 3 2 0 0 0 3 1 3 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 . 6 5 11 10 6 13 2 5 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 . 4 0 10 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 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 Q 0 0 215 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 93.4 65.6 27.0 49.0 2 6 A V - 0 0 125 2,-0.0 2,-0.6 0, 0.0 0, 0.0 -0.639 360.0-178.8 -85.2 114.7 63.3 24.1 49.8 3 7 A Q - 0 0 173 -2,-0.6 2,-0.3 0, 0.0 0, 0.0 -0.934 19.3-145.8-107.4 121.9 60.6 23.1 47.3 4 8 A E - 0 0 169 -2,-0.6 2,-0.3 1,-0.0 3,-0.0 -0.679 17.3-116.9 -90.6 143.0 58.4 20.2 48.5 5 9 A L - 0 0 137 -2,-0.3 2,-0.3 1,-0.1 -1,-0.0 -0.606 37.7-114.4 -74.1 136.6 57.0 17.7 46.0 6 10 A E - 0 0 170 -2,-0.3 2,-0.3 1,-0.0 -1,-0.1 -0.548 22.2-144.1 -77.0 136.4 53.3 17.9 46.0 7 11 A K - 0 0 35 -2,-0.3 2,-0.3 133,-0.1 133,-0.2 -0.663 18.8-146.7 -93.1 153.8 51.3 14.9 47.3 8 12 A K E -A 139 0A 114 131,-3.2 131,-3.1 -2,-0.3 2,-0.3 -0.784 14.3-103.7-121.7 166.1 48.0 14.1 45.6 9 13 A W E +AB 138 168A 6 159,-0.5 159,-2.6 -2,-0.3 2,-0.3 -0.670 36.0 178.3 -89.2 140.1 44.7 12.7 46.6 10 14 A Y E -A 137 0A 20 127,-2.6 127,-2.5 -2,-0.3 2,-0.5 -0.963 24.0-132.3-135.6 155.1 43.7 9.1 45.7 11 15 A A E -A 136 0A 1 155,-0.5 148,-3.2 -2,-0.3 2,-0.5 -0.943 18.6-155.6-110.6 128.9 40.6 7.0 46.5 12 16 A L E -AC 135 158A 0 123,-2.8 123,-1.5 -2,-0.5 2,-0.4 -0.914 10.1-139.9-106.0 125.8 41.2 3.5 47.9 13 17 A Q E +AC 134 157A 23 144,-3.0 143,-2.6 -2,-0.5 144,-1.1 -0.710 33.2 173.5 -81.0 133.1 38.5 0.8 47.4 14 18 A V E - C 0 155A 3 119,-2.8 141,-0.2 -2,-0.4 5,-0.1 -0.887 42.6 -68.5-137.9 167.0 38.2 -1.2 50.5 15 19 A E > - 0 0 80 139,-2.2 3,-2.2 -2,-0.3 118,-0.2 -0.405 59.5-112.1 -59.6 122.5 36.0 -3.9 51.9 16 20 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 112,-0.0 -0.316 103.7 23.6 -57.5 133.0 32.5 -2.4 52.5 17 21 A G T 3 S+ 0 0 57 111,-0.1 3,-0.2 -3,-0.1 4,-0.1 0.110 111.9 75.5 95.7 -21.7 31.8 -2.3 56.3 18 22 A K <> + 0 0 67 -3,-2.2 4,-2.7 1,-0.1 -3,-0.2 -0.005 51.4 120.8-112.5 28.1 35.5 -2.3 57.1 19 23 A E H > S+ 0 0 6 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.864 77.5 48.6 -60.7 -37.6 36.5 1.3 56.2 20 24 A N H > S+ 0 0 63 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.905 114.0 44.4 -69.6 -43.1 37.7 2.0 59.7 21 25 A E H > S+ 0 0 76 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.862 109.1 58.2 -68.4 -37.2 39.8 -1.1 60.0 22 26 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.945 109.4 45.3 -57.2 -48.4 41.2 -0.5 56.5 23 27 A K H X S+ 0 0 57 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.920 113.6 47.2 -62.7 -45.6 42.5 2.8 57.6 24 28 A E H X S+ 0 0 112 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.877 113.2 50.5 -64.8 -33.9 44.0 1.6 60.9 25 29 A N H X S+ 0 0 32 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.870 108.2 52.3 -70.9 -35.3 45.6 -1.3 59.0 26 30 A L H X S+ 0 0 2 -4,-2.1 4,-2.8 -5,-0.2 5,-0.2 0.894 106.2 53.2 -66.4 -41.3 47.1 1.0 56.5 27 31 A L H X S+ 0 0 66 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.894 108.8 50.4 -63.6 -35.0 48.6 3.2 59.1 28 32 A K H X S+ 0 0 140 -4,-1.5 4,-3.1 2,-0.2 5,-0.2 0.919 110.6 49.6 -67.2 -41.9 50.3 0.1 60.6 29 33 A V H X S+ 0 0 25 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.915 109.5 50.4 -61.0 -45.6 51.6 -0.8 57.2 30 34 A L H X>S+ 0 0 4 -4,-2.8 5,-2.4 2,-0.2 6,-0.6 0.917 112.1 50.1 -60.4 -38.2 53.0 2.7 56.7 31 35 A E H ><5S+ 0 0 111 -4,-2.1 3,-0.9 -5,-0.2 -2,-0.2 0.966 116.1 39.2 -64.3 -52.6 54.6 2.3 60.1 32 36 A L H 3<5S+ 0 0 148 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.855 117.8 47.6 -67.9 -35.2 56.2 -1.1 59.4 33 37 A E H 3<5S- 0 0 83 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.499 108.7-121.8 -86.5 0.5 57.2 -0.4 55.8 34 38 A G T <<5S+ 0 0 63 -3,-0.9 -3,-0.2 -4,-0.5 -4,-0.1 0.895 74.6 124.3 61.6 45.4 58.7 2.9 56.7 35 39 A L > < + 0 0 11 -5,-2.4 3,-1.8 -6,-0.2 4,-0.4 0.206 24.0 113.0-119.1 13.1 56.5 4.9 54.3 36 40 A K G > S+ 0 0 113 -6,-0.6 3,-1.5 1,-0.3 -1,-0.1 0.837 73.2 62.4 -57.3 -32.1 54.9 7.5 56.7 37 41 A D G 3 S+ 0 0 140 1,-0.3 -1,-0.3 -7,-0.1 -2,-0.1 0.703 97.4 58.3 -69.2 -18.9 56.7 10.3 55.0 38 42 A L G < S+ 0 0 35 -3,-1.8 102,-2.6 1,-0.1 2,-0.5 0.554 101.3 62.5 -87.1 -6.1 54.9 9.6 51.7 39 43 A V E < +D 139 0A 20 -3,-1.5 100,-0.2 -4,-0.4 -1,-0.1 -0.965 47.8 174.3-126.4 122.4 51.5 10.0 53.2 40 44 A D E S+ 0 0 87 98,-2.6 2,-0.3 -2,-0.5 99,-0.2 0.766 71.8 15.7 -93.3 -27.8 50.0 13.2 54.6 41 45 A E E -D 138 0A 91 97,-1.2 97,-2.1 2,-0.0 2,-0.4 -0.999 45.0-170.0-149.4 145.8 46.4 12.1 55.3 42 46 A V E +D 137 0A 15 -2,-0.3 2,-0.4 95,-0.2 95,-0.2 -0.964 29.2 179.9-131.1 112.6 44.3 9.0 55.5 43 47 A I E -D 136 0A 29 93,-3.4 93,-3.8 -2,-0.4 -2,-0.0 -0.948 28.3-147.8-125.3 136.8 40.6 10.0 55.7 44 48 A V - 0 0 6 -2,-0.4 2,-2.4 91,-0.2 91,-0.2 -0.890 22.1-138.8 -99.1 116.7 37.3 8.1 55.9 45 49 A P + 0 0 0 0, 0.0 86,-0.7 0, 0.0 2,-0.3 -0.428 59.7 124.7 -73.5 68.0 34.7 10.1 54.0 46 50 A A - 0 0 0 -2,-2.4 2,-0.2 82,-0.1 -2,-0.1 -0.892 64.4-105.6-130.4 159.6 32.0 9.5 56.6 47 51 A E - 0 0 20 -2,-0.3 80,-2.1 1,-0.0 2,-0.4 -0.583 33.1-126.3 -82.7 142.0 29.6 11.5 58.8 48 52 A E E +E 126 0B 42 -2,-0.2 16,-2.2 78,-0.2 17,-0.4 -0.744 35.2 178.4 -89.1 133.3 30.4 11.8 62.5 49 53 A K E -EF 125 63B 35 76,-2.8 76,-2.9 -2,-0.4 2,-0.5 -0.913 27.9-126.1-134.3 161.5 27.6 10.7 64.8 50 54 A V E -EF 124 62B 0 12,-3.5 12,-2.8 -2,-0.3 2,-0.5 -0.938 18.4-159.0-111.0 127.9 26.9 10.4 68.5 51 55 A V E -EF 123 61B 4 72,-2.8 72,-2.1 -2,-0.5 2,-0.5 -0.931 8.2-158.6-106.4 124.2 25.7 7.0 69.8 52 56 A I E -EF 122 60B 0 8,-2.6 7,-3.3 -2,-0.5 8,-1.7 -0.932 12.0-173.5-109.9 128.7 23.9 7.3 73.1 53 57 A R E -EF 121 58B 79 68,-2.8 68,-2.3 -2,-0.5 2,-0.5 -0.953 18.4-164.9-127.9 144.3 23.6 4.1 75.2 54 58 A A E S-E 120 0B 2 3,-2.0 3,-0.3 -2,-0.4 66,-0.3 -0.996 82.8 -17.5-126.4 118.1 21.9 3.2 78.4 55 59 A Q S S- 0 0 85 64,-4.0 -1,-0.1 -2,-0.5 65,-0.1 0.903 129.2 -47.9 49.5 56.8 23.1 -0.0 80.1 56 60 A G S S+ 0 0 65 63,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.840 115.3 113.7 57.7 37.4 24.9 -1.4 77.0 57 61 A K - 0 0 124 -3,-0.3 -3,-2.0 0, 0.0 2,-0.3 -0.950 68.5-122.2-143.1 118.0 21.9 -0.7 74.7 58 62 A E E +F 53 0B 80 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.392 34.5 166.4 -62.9 120.1 21.8 1.8 71.9 59 63 A K E + 0 0 102 -7,-3.3 2,-0.3 1,-0.3 -6,-0.2 0.721 63.8 14.2-105.1 -28.8 19.1 4.4 72.3 60 64 A Y E -F 52 0B 103 -8,-1.7 -8,-2.6 2,-0.0 2,-0.3 -0.998 44.4-169.9-149.6 151.9 20.1 7.0 69.8 61 65 A R E +F 51 0B 96 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.866 32.9 169.1-139.8 95.7 22.4 7.5 66.8 62 66 A L E -F 50 0B 44 -12,-2.8 -12,-3.5 -2,-0.3 2,-0.2 -0.816 39.3 -97.1-119.0 158.2 22.5 11.2 65.9 63 67 A S E -F 49 0B 10 -2,-0.3 -14,-0.2 -14,-0.3 -1,-0.0 -0.426 24.2-144.6 -68.4 133.4 24.4 13.6 63.7 64 68 A L S S+ 0 0 5 -16,-2.2 23,-0.5 -2,-0.2 2,-0.2 0.856 85.0 63.3 -68.2 -37.3 27.2 15.5 65.5 65 69 A K S S+ 0 0 31 -17,-0.4 2,-0.2 22,-0.1 117,-0.1 -0.570 80.2 74.9 -85.0 154.0 26.7 18.6 63.5 66 70 A G S S- 0 0 45 -2,-0.2 20,-0.5 116,-0.1 21,-0.3 -0.806 83.3 -28.7 137.2-179.8 23.3 20.4 63.8 67 71 A N S S- 0 0 62 -2,-0.2 17,-0.1 1,-0.1 2,-0.1 -0.289 79.6 -83.4 -67.1 155.9 21.2 22.6 66.1 68 72 A A - 0 0 64 17,-0.1 2,-0.3 15,-0.1 17,-0.2 -0.388 57.5-179.8 -63.2 135.9 21.8 22.3 69.8 69 73 A R E -H 84 0C 67 15,-2.5 15,-2.9 -3,-0.1 2,-0.4 -0.993 21.7-150.8-140.8 144.5 19.9 19.3 71.2 70 74 A D E -H 83 0C 81 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.880 14.8-167.8-111.4 145.6 19.5 17.8 74.7 71 75 A I E -H 82 0C 17 11,-2.7 11,-3.2 -2,-0.4 2,-0.5 -0.978 3.4-163.2-140.3 125.3 18.8 14.1 75.0 72 76 A S E -H 81 0C 69 -2,-0.4 2,-0.3 9,-0.3 9,-0.2 -0.919 10.0-179.4-110.5 132.0 17.7 12.3 78.1 73 77 A V E -H 80 0C 9 7,-2.1 7,-1.7 -2,-0.5 2,-0.4 -0.962 27.3-120.8-129.5 148.3 17.9 8.6 78.6 74 78 A L E +H 79 0C 129 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.712 39.8 167.7 -86.0 133.1 16.9 6.3 81.5 75 79 A G - 0 0 16 3,-2.6 44,-0.2 -2,-0.4 43,-0.1 -0.240 53.7 -54.5-122.2-146.4 19.7 4.2 82.9 76 80 A K S S+ 0 0 130 42,-2.9 42,-0.1 1,-0.2 43,-0.1 0.888 130.1 10.4 -68.7 -39.5 20.3 2.1 85.9 77 81 A K S S- 0 0 137 41,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.559 123.7 -50.6-119.9 -10.0 19.4 4.7 88.5 78 82 A G S S- 0 0 22 40,-0.2 -3,-2.6 17,-0.1 2,-0.3 -0.925 80.6 -21.6 174.1-145.3 17.8 7.7 86.8 79 83 A V E -H 74 0C 62 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.760 33.8-170.9-104.0 142.2 18.3 10.2 84.0 80 84 A T E -H 73 0C 0 -7,-1.7 -7,-2.1 -2,-0.3 2,-0.5 -0.999 13.1-159.2-123.3 124.8 21.4 11.3 82.2 81 85 A T E -HI 72 93C 16 12,-2.9 11,-2.2 -2,-0.5 12,-1.5 -0.944 6.3-164.3-111.9 128.5 20.9 14.2 79.9 82 86 A F E -HI 71 91C 0 -11,-3.2 -11,-2.7 -2,-0.5 2,-0.4 -0.822 5.7-149.2-107.7 149.0 23.4 14.8 77.1 83 87 A R E -HI 70 90C 68 7,-3.0 7,-2.0 -2,-0.3 2,-0.5 -0.978 8.4-169.9-123.7 132.2 23.8 17.9 75.1 84 88 A I E +HI 69 89C 0 -15,-2.9 -15,-2.5 -2,-0.4 2,-0.3 -0.972 28.3 141.4-118.7 113.6 25.0 18.1 71.5 85 89 A E E > + I 0 88C 50 3,-2.0 3,-1.5 -2,-0.5 -18,-0.1 -0.985 60.1 7.9-154.3 145.6 25.8 21.7 70.3 86 90 A N T 3 S- 0 0 137 -20,-0.5 -21,-0.1 -2,-0.3 -1,-0.1 0.916 129.7 -55.1 48.4 50.6 28.4 23.3 68.1 87 91 A G T 3 S+ 0 0 16 -23,-0.5 2,-0.3 -21,-0.3 -1,-0.3 0.665 117.7 97.5 61.0 18.7 29.8 20.0 67.0 88 92 A E E < -I 85 0C 71 -3,-1.5 -3,-2.0 -24,-0.2 2,-0.4 -0.947 57.0-144.8-135.5 160.9 30.5 18.6 70.5 89 93 A V E +IJ 84 106C 0 17,-2.7 17,-2.5 -2,-0.3 2,-0.3 -0.962 24.6 157.1-123.9 140.0 28.8 16.4 73.1 90 94 A K E -I 83 0C 64 -7,-2.0 -7,-3.0 -2,-0.4 2,-0.5 -0.945 42.1-101.8-150.1 170.6 28.8 16.7 76.9 91 95 A V E +I 82 0C 5 9,-0.4 -9,-0.2 12,-0.4 3,-0.1 -0.865 27.7 179.6 -99.1 124.8 26.8 15.6 79.9 92 96 A V E - 0 0 52 -11,-2.2 2,-0.3 -2,-0.5 -10,-0.2 0.733 69.0 -0.3 -96.5 -22.2 24.6 18.3 81.4 93 97 A E E +I 81 0C 128 -12,-1.5 -12,-2.9 7,-0.0 -1,-0.3 -0.963 62.6 156.3-164.8 143.4 23.0 16.3 84.2 94 98 A S - 0 0 22 -2,-0.3 -14,-0.2 -14,-0.2 3,-0.1 -0.841 48.7 -55.3-151.2-169.6 23.1 12.8 85.6 95 99 A V > - 0 0 25 -2,-0.3 3,-2.2 1,-0.2 23,-0.1 -0.242 69.3 -79.1 -75.5 162.3 22.4 11.0 88.8 96 100 A E T 3 S+ 0 0 182 1,-0.3 -1,-0.2 21,-0.1 3,-0.1 -0.402 121.8 30.6 -60.6 131.1 24.1 11.9 92.1 97 101 A G T 3 S+ 0 0 59 1,-0.2 2,-1.0 -3,-0.1 -1,-0.3 0.077 84.7 122.6 107.7 -25.3 27.5 10.4 92.1 98 102 A D X - 0 0 10 -3,-2.2 3,-1.3 1,-0.2 -1,-0.2 -0.601 35.3-178.0 -77.4 100.8 28.1 10.7 88.3 99 103 A T G > + 0 0 95 -2,-1.0 3,-2.8 1,-0.3 4,-0.3 0.532 63.8 96.5 -76.3 -1.6 31.2 12.7 87.8 100 104 A a G > + 0 0 8 1,-0.3 3,-1.7 2,-0.2 -9,-0.4 0.778 68.4 73.6 -59.5 -22.5 30.7 12.4 84.1 101 105 A V G < S+ 0 0 64 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.768 95.3 51.8 -62.0 -22.3 29.0 15.8 84.4 102 106 A N G < S+ 0 0 133 -3,-2.8 -1,-0.3 -4,-0.1 -2,-0.2 0.517 83.4 116.3 -91.4 -4.0 32.5 17.2 84.8 103 107 A A S < S- 0 0 32 -3,-1.7 -12,-0.4 -4,-0.3 3,-0.1 -0.396 72.4-111.7 -67.1 135.1 33.9 15.5 81.7 104 108 A P - 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