==== 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 1NPR . 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.ROUTZHAN, . 242 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14992.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 69.4 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 . 87 36.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 5 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 . 23 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 1 0 0 1 0 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 . 2 1 3 2 1 3 1 2 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 2 2 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 7 A Q 0 0 234 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-167.2 31.6 11.8 42.4 2 8 A E - 0 0 163 1,-0.0 2,-0.1 0, 0.0 0, 0.0 -0.899 360.0 -99.9-114.1 140.4 28.0 13.0 42.3 3 9 A L - 0 0 123 -2,-0.4 2,-0.1 1,-0.1 135,-0.0 -0.345 43.6-124.6 -58.4 123.3 24.8 10.9 41.9 4 10 A E - 0 0 170 -2,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.400 17.6-137.4 -74.3 145.5 23.6 10.9 38.3 5 11 A K - 0 0 43 -2,-0.1 2,-0.3 133,-0.1 133,-0.3 -0.627 15.3-138.2 -98.4 160.7 20.1 12.0 37.4 6 12 A K E -A 137 0A 117 131,-3.2 131,-2.9 -2,-0.2 2,-0.3 -0.848 15.6-109.1-121.0 157.7 17.9 10.3 34.9 7 13 A W E +AB 136 166A 9 159,-0.6 159,-2.0 -2,-0.3 2,-0.4 -0.627 34.3 179.7 -84.6 138.8 15.5 11.4 32.2 8 14 A Y E -AB 135 165A 18 127,-2.1 127,-2.1 -2,-0.3 2,-0.5 -0.999 24.4-132.0-140.0 138.3 11.8 11.0 32.6 9 15 A A E -A 134 0A 13 155,-0.5 148,-2.8 -2,-0.4 2,-0.3 -0.768 23.0-158.1 -90.0 129.6 8.9 11.9 30.3 10 16 A L E -AC 133 156A 0 123,-2.9 123,-1.0 -2,-0.5 2,-0.5 -0.718 12.9-130.4 -99.1 158.2 6.2 13.7 32.1 11 17 A Q E +AC 132 155A 74 144,-1.7 143,-3.7 -2,-0.3 144,-0.9 -0.956 38.2 163.6-110.5 123.3 2.6 13.8 30.7 12 18 A V E - C 0 153A 2 119,-1.1 141,-0.2 -2,-0.5 5,-0.1 -0.818 46.4 -68.7-133.2 172.2 1.1 17.4 30.6 13 19 A E > - 0 0 76 139,-2.1 3,-2.3 -2,-0.3 118,-0.3 -0.458 61.0-108.1 -64.8 119.8 -1.8 19.3 29.0 14 20 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 115,-0.0 -0.123 101.3 16.4 -49.3 134.6 -1.2 19.6 25.2 15 21 A G T 3 S+ 0 0 42 -3,-0.1 3,-0.2 1,-0.1 4,-0.1 0.296 112.8 77.3 84.5 -12.1 -0.2 23.1 24.1 16 22 A K X> + 0 0 82 -3,-2.3 4,-3.0 1,-0.1 3,-0.7 0.189 52.2 121.1-114.1 16.4 0.7 24.2 27.6 17 23 A E H 3> S+ 0 0 2 1,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.845 77.5 48.7 -47.6 -43.7 4.0 22.4 27.7 18 24 A N H 3> S+ 0 0 45 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.869 112.4 49.3 -66.5 -35.7 5.8 25.7 28.4 19 25 A E H <> S+ 0 0 85 -3,-0.7 4,-3.1 2,-0.2 -2,-0.2 0.904 109.0 51.4 -69.5 -42.2 3.3 26.5 31.1 20 26 A A H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.891 110.3 50.6 -61.8 -38.8 3.7 23.2 32.7 21 27 A K H X S+ 0 0 53 -4,-2.0 4,-2.6 -5,-0.3 -2,-0.2 0.956 112.6 44.7 -64.2 -49.4 7.5 23.7 32.7 22 28 A E H X S+ 0 0 87 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.922 114.1 50.7 -59.6 -44.2 7.2 27.1 34.3 23 29 A N H X S+ 0 0 37 -4,-3.1 4,-2.1 2,-0.2 -2,-0.2 0.943 110.0 50.4 -57.6 -50.0 4.7 25.8 36.8 24 30 A L H X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.935 107.9 51.1 -55.4 -53.5 7.0 22.9 37.7 25 31 A L H X S+ 0 0 68 -4,-2.6 4,-1.6 1,-0.3 -1,-0.2 0.917 110.2 50.6 -51.5 -46.6 10.0 25.1 38.3 26 32 A K H X S+ 0 0 134 -4,-2.1 4,-2.1 1,-0.2 -1,-0.3 0.889 110.7 49.4 -59.8 -39.3 7.9 27.3 40.6 27 33 A V H X S+ 0 0 20 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.844 105.8 55.6 -69.2 -34.6 6.8 24.2 42.4 28 34 A L H <>S+ 0 0 4 -4,-2.5 5,-3.1 2,-0.2 6,-1.3 0.827 108.3 51.6 -66.7 -29.8 10.4 22.9 42.8 29 35 A E H ><5S+ 0 0 106 -4,-1.6 3,-1.6 -5,-0.2 -2,-0.2 0.986 111.5 43.1 -68.6 -59.2 11.2 26.2 44.5 30 36 A L H 3<5S+ 0 0 144 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.779 118.6 44.9 -59.6 -30.7 8.4 26.1 47.0 31 37 A E T 3<5S- 0 0 72 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.382 109.2-122.2 -95.7 3.1 8.9 22.5 47.8 32 38 A G T < 5S+ 0 0 62 -3,-1.6 -3,-0.2 -4,-0.2 -4,-0.1 0.935 76.9 120.9 56.8 50.6 12.7 22.9 48.0 33 39 A L > < + 0 0 11 -5,-3.1 3,-3.1 -6,-0.1 4,-0.4 0.451 27.7 109.1-120.1 -6.3 13.3 20.3 45.4 34 40 A K G > S+ 0 0 102 -6,-1.3 3,-1.5 1,-0.3 -5,-0.1 0.781 74.0 62.4 -42.0 -37.0 15.2 22.3 42.8 35 41 A D G 3 S+ 0 0 144 1,-0.3 -1,-0.3 -7,-0.2 -2,-0.1 0.732 96.0 59.6 -66.3 -21.8 18.4 20.5 43.6 36 42 A L G < S+ 0 0 39 -3,-3.1 102,-2.4 1,-0.1 2,-0.4 0.516 101.2 63.1 -83.4 -5.8 16.9 17.2 42.5 37 43 A V E < +D 137 0A 19 -3,-1.5 100,-0.2 -4,-0.4 -1,-0.1 -0.954 46.3 172.0-128.2 118.5 16.3 18.5 38.9 38 44 A D E S+ 0 0 95 98,-2.1 2,-0.3 -2,-0.4 99,-0.2 0.718 71.3 21.8 -92.8 -22.0 19.0 19.6 36.5 39 45 A E E -D 136 0A 87 97,-1.5 97,-2.0 2,-0.0 2,-0.4 -0.995 43.4-174.9-154.1 146.0 16.7 20.0 33.5 40 46 A V E -D 135 0A 9 -2,-0.3 2,-0.4 95,-0.2 95,-0.3 -0.956 26.4-176.9-135.7 112.7 13.1 20.6 32.2 41 47 A I E -D 134 0A 40 93,-4.2 93,-3.2 -2,-0.4 -2,-0.0 -0.904 25.4-149.5-121.1 142.5 12.7 20.4 28.5 42 48 A V - 0 0 15 -2,-0.4 2,-1.8 91,-0.2 91,-0.2 -0.940 33.3-122.6-105.7 115.4 9.8 20.9 26.1 43 49 A P S S+ 0 0 3 0, 0.0 85,-0.5 0, 0.0 2,-0.3 -0.364 77.9 82.1 -59.7 82.8 10.4 18.7 23.0 44 50 A A S S- 0 0 19 -2,-1.8 2,-0.4 83,-0.2 82,-0.2 -0.938 76.4 -99.2-166.7-177.5 10.4 21.5 20.4 45 51 A E E -E 125 0B 30 80,-2.8 80,-2.6 -2,-0.3 2,-0.2 -0.980 25.2-134.0-127.9 126.6 12.4 24.2 18.7 46 52 A E E +E 124 0B 85 -2,-0.4 16,-2.0 78,-0.2 17,-0.4 -0.537 32.5 179.1 -75.3 136.0 12.4 27.9 19.6 47 53 A K E -EF 123 61B 33 76,-2.5 76,-2.7 14,-0.3 2,-0.5 -0.981 28.3-129.7-141.9 153.2 12.2 30.2 16.6 48 54 A V E -EF 122 60B 0 12,-3.6 12,-2.5 -2,-0.3 2,-0.6 -0.881 20.4-160.8-102.4 129.9 12.1 33.8 15.8 49 55 A V E -EF 121 59B 0 72,-2.5 72,-2.0 -2,-0.5 2,-0.5 -0.959 4.7-162.7-116.6 117.0 9.4 34.9 13.4 50 56 A I E -EF 120 58B 0 8,-2.0 7,-3.5 -2,-0.6 8,-1.6 -0.869 9.5-174.2-104.0 129.6 9.9 38.3 11.7 51 57 A R E -EF 119 56B 84 68,-3.0 68,-1.6 -2,-0.5 2,-0.5 -0.922 15.6-159.8-125.5 149.6 6.9 40.0 10.1 52 58 A A E > S-EF 118 55B 5 3,-2.7 3,-1.6 -2,-0.3 66,-0.2 -0.933 77.9 -28.4-132.0 108.3 6.5 43.1 8.0 53 59 A Q T 3 S- 0 0 83 64,-3.3 65,-0.1 -2,-0.5 -1,-0.1 0.929 128.8 -41.5 52.8 53.5 3.0 44.7 7.8 54 60 A G T 3 S+ 0 0 36 63,-0.3 -1,-0.3 1,-0.2 2,-0.2 -0.015 116.9 108.6 89.4 -30.8 1.2 41.4 8.3 55 61 A K E < -F 52 0B 125 -3,-1.6 -3,-2.7 1,-0.1 2,-0.5 -0.576 69.6-123.0 -86.0 142.7 3.5 39.3 6.1 56 62 A E E +F 51 0B 97 -2,-0.2 -5,-0.3 -5,-0.2 3,-0.1 -0.709 32.3 171.2 -83.9 128.0 5.9 36.7 7.5 57 63 A K E + 0 0 116 -7,-3.5 2,-0.3 -2,-0.5 -6,-0.2 0.813 59.2 8.8-104.0 -42.8 9.4 37.4 6.3 58 64 A Y E -F 50 0B 108 -8,-1.6 -8,-2.0 2,-0.0 -1,-0.3 -0.966 41.5-168.8-142.9 157.9 11.6 35.0 8.3 59 65 A R E +F 49 0B 94 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.844 30.9 168.2-144.0 98.1 11.4 32.0 10.6 60 66 A L E -F 48 0B 46 -12,-2.5 -12,-3.6 -2,-0.3 -2,-0.0 -0.886 41.0 -97.5-123.5 150.5 14.8 31.4 12.2 61 67 A S E -F 47 0B 37 -2,-0.3 -14,-0.3 -14,-0.2 -1,-0.0 -0.298 25.2-140.9 -58.2 139.1 16.2 29.2 15.0 62 68 A L S S+ 0 0 3 -16,-2.0 23,-0.4 23,-0.1 2,-0.3 0.922 87.1 72.0 -68.8 -41.3 16.7 31.3 18.2 63 69 A K S S+ 0 0 148 -17,-0.4 2,-0.3 22,-0.1 -2,-0.1 -0.547 75.6 70.8 -77.9 135.3 19.9 29.4 18.8 64 70 A G S S- 0 0 37 -2,-0.3 20,-0.6 3,-0.0 21,-0.3 -0.929 81.5 -29.9 152.2-175.3 22.9 30.1 16.6 65 71 A N S S- 0 0 142 -2,-0.3 17,-0.1 1,-0.2 0, 0.0 -0.313 81.2 -76.2 -69.0 152.9 25.6 32.6 15.6 66 72 A A - 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0 0 19 -2,-0.3 -14,-0.2 -14,-0.3 3,-0.1 -0.802 41.3 -58.6-136.3 178.6 14.1 51.0 13.2 93 99 A V S > S- 0 0 25 -2,-0.2 3,-1.7 1,-0.2 2,-0.3 0.003 71.5 -73.9 -56.6 164.0 12.4 53.9 11.4 94 100 A E T 3 S+ 0 0 171 1,-0.2 -1,-0.2 -19,-0.1 3,-0.1 -0.452 122.5 26.2 -62.6 121.5 12.2 57.4 12.9 95 101 A G T 3 S+ 0 0 38 1,-0.3 2,-0.6 -2,-0.3 -1,-0.2 0.034 85.5 122.8 113.8 -29.8 9.6 57.2 15.6 96 102 A D < - 0 0 15 -3,-1.7 3,-0.4 1,-0.2 -1,-0.3 -0.595 35.1-177.1 -71.1 117.9 9.9 53.6 16.5 97 103 A T >> + 0 0 102 -2,-0.6 3,-3.1 1,-0.2 4,-0.5 0.541 61.9 98.0 -90.1 -9.2 10.7 53.4 20.1 98 104 A a G >4 + 0 0 7 1,-0.3 3,-0.7 2,-0.2 -9,-0.5 0.726 68.1 77.4 -48.8 -24.7 10.9 49.5 19.9 99 105 A V G 34 S+ 0 0 55 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.724 95.1 46.3 -60.6 -21.2 14.6 50.1 19.6 100 106 A N G <4 S+ 0 0 132 -3,-3.1 -1,-0.3 2,-0.1 -2,-0.2 0.658 84.7 115.6 -94.4 -18.9 14.6 50.7 23.4 101 107 A A S << S- 0 0 34 -3,-0.7 -12,-0.4 -4,-0.5 3,-0.1 -0.255 76.0-110.3 -53.3 129.7 12.5 47.6 24.2 102 108 A P - 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.327 44.8 -88.0 -63.4 145.5 14.6 45.1 26.2 103 109 A P - 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