==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-MAR-06 2GJ3 . COMPND 2 MOLECULE: NITROGEN FIXATION REGULATORY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AZOTOBACTER VINELANDII; . AUTHOR J.KEY,M.HEFTI,E.PURCELL,K.MOFFAT . 238 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12753.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 71.4 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 . 68 28.6 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 . 6 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 17 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 19.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 2 0 1 1 0 2 0 0 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 . 3 0 2 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 22 A L 0 0 65 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.4 23.5 -12.2 18.1 2 23 A L >> - 0 0 124 1,-0.1 3,-1.6 3,-0.0 4,-0.9 -0.338 360.0-108.2 -78.6 158.3 25.1 -14.4 20.7 3 24 A P H >> S+ 0 0 57 0, 0.0 4,-2.2 0, 0.0 3,-0.6 0.851 115.7 66.5 -53.6 -37.0 26.0 -13.1 24.1 4 25 A E H 3> S+ 0 0 107 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.838 96.1 57.5 -51.1 -35.3 29.8 -13.2 23.2 5 26 A I H <> S+ 0 0 12 -3,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.896 107.4 45.8 -67.8 -40.7 29.1 -10.4 20.8 6 27 A F H < S+ 0 0 2 -4,-2.5 3,-1.2 1,-0.2 5,-0.2 0.930 110.9 56.5 -58.6 -46.2 31.2 -3.9 26.3 11 32 A E H 3< S+ 0 0 32 -4,-2.8 20,-2.0 1,-0.3 21,-0.4 0.849 115.9 35.5 -55.9 -41.0 34.9 -4.8 26.1 12 33 A H H 3< S+ 0 0 65 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.306 85.8 126.4 -96.2 3.6 35.5 -2.2 23.3 13 34 A A << - 0 0 2 -3,-1.2 2,-1.6 -4,-0.7 19,-0.5 -0.390 64.9-126.9 -67.2 140.8 33.1 0.5 24.3 14 35 A P S S+ 0 0 59 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.274 86.5 74.6 -86.0 47.3 34.6 3.9 24.6 15 36 A I S S- 0 0 19 -2,-1.6 18,-0.3 -5,-0.2 2,-0.3 -0.935 93.9 -98.9-145.9 146.4 33.3 4.5 28.1 16 37 A A E -A 112 0A 0 96,-2.4 96,-2.4 -2,-0.3 2,-0.4 -0.541 44.7-177.1 -69.4 129.5 34.7 3.0 31.3 17 38 A I E +A 111 0A 2 -2,-0.3 13,-2.5 94,-0.2 2,-0.3 -0.993 8.1 171.0-132.1 128.1 32.5 -0.0 32.4 18 39 A S E -AB 110 29A 1 92,-2.6 92,-3.0 -2,-0.4 2,-0.4 -0.961 16.2-157.2-130.6 148.3 33.0 -2.1 35.5 19 40 A I E -AB 109 28A 0 9,-2.3 8,-3.2 -2,-0.3 9,-1.5 -0.998 21.6-178.0-124.4 134.2 30.7 -4.8 37.0 20 41 A T E -AB 108 26A 6 88,-2.7 88,-2.0 -2,-0.4 6,-0.2 -0.814 28.2-107.5-127.5 165.4 31.0 -5.6 40.6 21 42 A D > - 0 0 48 4,-2.3 3,-1.7 -2,-0.3 87,-0.1 -0.117 59.2 -81.3 -75.6-176.0 29.7 -7.8 43.4 22 43 A L T 3 S+ 0 0 82 1,-0.3 85,-0.1 84,-0.2 -1,-0.1 0.514 132.4 50.3 -76.9 0.3 27.5 -6.4 46.0 23 44 A K T 3 S- 0 0 110 2,-0.1 -1,-0.3 85,-0.1 3,-0.1 0.137 122.7-101.3-113.8 12.8 30.4 -4.9 48.0 24 45 A A < + 0 0 9 -3,-1.7 25,-2.5 1,-0.3 2,-0.5 0.599 67.5 153.2 75.0 24.3 32.0 -3.3 44.9 25 46 A N B -E 48 0B 63 23,-0.2 -4,-2.3 24,-0.1 2,-0.3 -0.632 51.5-115.2 -74.7 130.7 34.7 -5.8 44.2 26 47 A I E +B 20 0A 5 21,-2.6 -6,-0.2 -2,-0.5 21,-0.2 -0.476 41.6 168.9 -78.0 126.3 35.4 -5.6 40.6 27 48 A L E S+ 0 0 71 -8,-3.2 2,-0.3 1,-0.4 -7,-0.2 0.550 71.5 14.5-103.4 -19.5 34.5 -8.8 38.7 28 49 A Y E +B 19 0A 8 -9,-1.5 -9,-2.3 16,-0.1 -1,-0.4 -0.958 59.2 179.4-156.8 140.4 34.8 -7.3 35.1 29 50 A A E -B 18 0A 6 -2,-0.3 -11,-0.2 -11,-0.2 15,-0.1 -0.979 21.5-135.2-145.1 135.8 36.4 -4.1 33.6 30 51 A N > - 0 0 0 -13,-2.5 4,-2.3 -2,-0.3 5,-0.2 -0.152 35.1 -94.5 -84.5 176.4 36.5 -3.1 30.0 31 52 A R H > S+ 0 0 111 -20,-2.0 4,-2.8 1,-0.2 5,-0.2 0.913 124.0 52.4 -60.4 -42.2 39.5 -1.8 28.1 32 53 A A H > S+ 0 0 19 -19,-0.5 4,-2.9 -21,-0.4 5,-0.3 0.883 108.1 51.9 -60.7 -43.1 38.5 1.9 28.6 33 54 A F H > S+ 0 0 2 -18,-0.3 4,-2.6 -16,-0.2 6,-0.3 0.934 111.6 46.1 -56.9 -46.8 38.2 1.3 32.4 34 55 A R H X S+ 0 0 44 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.916 115.1 47.4 -65.1 -41.5 41.6 -0.2 32.6 35 56 A T H < S+ 0 0 105 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.941 116.1 42.3 -62.7 -43.3 43.1 2.6 30.5 36 57 A I H < S+ 0 0 25 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.930 122.6 38.1 -70.6 -46.0 41.5 5.4 32.3 37 58 A T H < S- 0 0 0 -4,-2.6 47,-3.1 -5,-0.3 48,-0.2 0.710 101.7-128.5 -80.9 -22.9 42.1 4.0 35.8 38 59 A G < + 0 0 36 -4,-1.8 2,-0.5 -5,-0.3 -3,-0.1 0.415 64.9 128.0 92.0 -5.9 45.6 2.5 35.1 39 60 A Y - 0 0 19 -6,-0.3 -1,-0.3 -5,-0.2 -2,-0.1 -0.787 53.8-131.6 -89.4 129.8 44.8 -1.0 36.4 40 61 A G > - 0 0 30 -2,-0.5 4,-2.7 -3,-0.1 5,-0.3 -0.129 29.4 -91.2 -78.0 170.4 45.6 -3.8 34.1 41 62 A S T 4 S+ 0 0 69 1,-0.2 4,-0.2 2,-0.2 -12,-0.1 0.723 121.7 37.2 -58.2 -30.3 43.5 -6.7 33.1 42 63 A E T >4 S+ 0 0 172 2,-0.1 3,-1.4 1,-0.1 -1,-0.2 0.917 117.6 44.4 -85.2 -55.5 44.8 -9.0 35.8 43 64 A E G >4 S+ 0 0 74 1,-0.3 3,-2.0 2,-0.2 -2,-0.2 0.802 102.9 66.2 -62.9 -28.0 45.3 -6.7 38.9 44 65 A V G >< S+ 0 0 2 -4,-2.7 3,-1.7 1,-0.3 -1,-0.3 0.818 91.5 63.8 -65.6 -24.3 42.0 -4.9 38.4 45 66 A L G < S+ 0 0 94 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.349 101.6 51.3 -81.7 3.5 40.1 -8.2 39.2 46 67 A G G < S+ 0 0 69 -3,-2.0 -1,-0.3 -4,-0.1 2,-0.3 0.178 98.8 90.5-111.0 12.7 41.6 -8.0 42.7 47 68 A K < - 0 0 70 -3,-1.7 -21,-2.6 -21,-0.2 2,-0.3 -0.717 64.1-140.7-108.0 160.4 40.5 -4.4 43.4 48 69 A N B > -E 25 0B 39 -2,-0.3 3,-2.5 -23,-0.3 -23,-0.2 -0.808 32.8-112.2-106.1 153.8 37.4 -2.8 44.8 49 70 A E G > S+ 0 0 48 -25,-2.5 3,-2.3 -2,-0.3 4,-0.2 0.767 112.3 77.2 -57.6 -24.5 36.0 0.4 43.4 50 71 A S G > S+ 0 0 70 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.678 74.5 75.5 -59.9 -18.2 37.1 2.1 46.6 51 72 A I G < S+ 0 0 50 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.756 91.5 57.3 -66.2 -15.5 40.7 2.1 45.2 52 73 A L G < S+ 0 0 8 -3,-2.3 30,-2.3 -4,-0.2 -1,-0.3 0.581 86.9 107.6 -82.0 -14.2 39.5 5.0 43.0 53 74 A S < + 0 0 40 -3,-1.7 2,-0.3 -4,-0.2 28,-0.1 -0.199 38.3 157.7 -72.0 167.1 38.5 7.1 46.0 54 75 A N > - 0 0 13 26,-0.3 3,-1.6 3,-0.1 26,-0.2 -0.958 52.0 -95.1-177.6 157.9 40.3 10.1 47.3 55 76 A G T 3 S+ 0 0 78 -2,-0.3 4,-0.1 1,-0.3 -2,-0.1 0.514 104.2 78.9 -72.1 -4.4 39.6 13.1 49.3 56 77 A T T 3 S+ 0 0 90 24,-0.1 -1,-0.3 2,-0.1 25,-0.1 0.842 88.7 74.1 -63.9 -32.2 38.8 15.7 46.5 57 78 A T S < S- 0 0 5 -3,-1.6 2,-0.1 23,-0.3 -3,-0.1 -0.684 95.0-118.8 -85.1 126.3 35.4 14.0 46.5 58 79 A P >> - 0 0 78 0, 0.0 3,-2.3 0, 0.0 4,-0.6 -0.411 20.3-127.6 -60.1 141.5 33.1 14.7 49.5 59 80 A R H >> S+ 0 0 179 1,-0.3 4,-1.8 2,-0.2 3,-0.6 0.805 105.5 70.0 -63.3 -29.3 32.3 11.5 51.4 60 81 A L H 3> S+ 0 0 113 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.718 88.5 65.2 -64.2 -16.9 28.6 12.2 51.1 61 82 A V H <> S+ 0 0 21 -3,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.919 102.5 46.4 -65.3 -38.9 28.9 11.5 47.4 62 83 A Y H <>S+ 0 0 97 -4,-1.6 5,-2.2 -3,-0.2 3,-1.7 0.958 113.1 50.6 -74.0 -47.3 20.4 4.8 45.7 69 90 A L H ><5S+ 0 0 5 -4,-2.6 3,-2.2 1,-0.3 -2,-0.2 0.874 106.3 56.1 -55.5 -39.1 22.0 1.4 44.7 70 91 A A H 3<5S+ 0 0 73 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.689 104.5 53.4 -71.3 -16.0 20.7 -0.2 47.9 71 92 A Q T <<5S- 0 0 105 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.220 123.4-106.6 -86.4 -0.9 17.2 0.8 47.0 72 93 A K T < 5S+ 0 0 107 -3,-2.2 -3,-0.2 1,-0.3 -2,-0.2 0.816 84.3 123.4 71.9 31.6 17.6 -0.8 43.6 73 94 A K < - 0 0 81 -5,-2.2 -1,-0.3 -6,-0.1 -2,-0.2 -0.879 60.8-116.8-122.3 151.7 17.8 2.6 42.0 74 95 A P - 0 0 66 0, 0.0 2,-0.4 0, 0.0 22,-0.2 -0.454 20.3-152.2 -79.5 163.2 20.6 4.1 39.8 75 96 A W E -C 95 0A 36 20,-2.4 20,-2.9 -2,-0.1 2,-0.4 -0.998 9.5-173.4-132.2 137.7 22.7 7.1 40.7 76 97 A S E +C 94 0A 80 -2,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.998 30.2 104.8-128.8 133.7 24.3 9.6 38.3 77 98 A G E -C 93 0A 23 16,-2.5 16,-2.6 -2,-0.4 2,-0.3 -0.896 58.2 -76.9-173.9-159.7 26.7 12.4 39.3 78 99 A V E +C 92 0A 87 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.907 39.2 159.5-125.5 147.5 30.3 13.5 39.4 79 100 A L E -C 91 0A 10 12,-2.0 12,-3.4 -2,-0.3 2,-0.5 -0.978 39.3-109.2-157.0 164.4 33.3 12.7 41.6 80 101 A V E -C 90 0A 25 -2,-0.3 -23,-0.3 10,-0.3 2,-0.3 -0.912 35.9-162.5-103.6 124.4 37.1 12.9 41.4 81 102 A N E -C 89 0A 10 8,-2.8 8,-2.4 -2,-0.5 2,-0.5 -0.778 13.2-132.3-107.3 159.4 38.9 9.6 41.0 82 103 A R E -C 88 0A 104 -30,-2.3 6,-0.2 -2,-0.3 2,-0.1 -0.884 19.1-147.7-111.9 126.5 42.5 8.5 41.6 83 104 A R > - 0 0 5 4,-2.9 3,-2.3 -2,-0.5 -45,-0.2 -0.463 33.7-100.7 -82.1 169.9 44.3 6.5 39.0 84 105 A K T 3 S+ 0 0 104 -47,-3.1 -46,-0.1 1,-0.3 -1,-0.1 0.851 125.8 58.5 -55.9 -38.3 47.0 3.9 39.7 85 106 A D T 3 S- 0 0 90 -48,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.427 118.5-115.0 -77.9 4.4 49.6 6.6 38.7 86 107 A K S < S+ 0 0 172 -3,-2.3 2,-0.1 1,-0.3 -2,-0.1 0.373 73.9 130.9 78.2 0.7 48.2 8.8 41.5 87 108 A T - 0 0 54 -5,-0.1 -4,-2.9 1,-0.0 -1,-0.3 -0.451 50.6-133.8 -73.7 159.2 46.8 11.5 39.1 88 109 A L E -C 82 0A 79 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.2 -0.874 20.3-172.3-116.9 149.6 43.2 12.6 39.7 89 110 A Y E -C 81 0A 4 -8,-2.4 -8,-2.8 -2,-0.3 2,-0.6 -0.999 28.0-118.6-144.9 142.4 40.4 13.0 37.2 90 111 A L E -C 80 0A 82 -2,-0.4 25,-2.5 -10,-0.2 2,-0.4 -0.722 39.2-167.4 -77.0 120.2 36.9 14.4 37.3 91 112 A A E -CD 79 114A 0 -12,-3.4 -12,-2.0 -2,-0.6 2,-0.6 -0.875 23.7-145.8-110.3 144.9 34.6 11.6 36.3 92 113 A E E -CD 78 113A 93 21,-1.7 21,-2.2 -2,-0.4 2,-0.4 -0.959 35.8-172.7-105.7 118.9 30.9 11.6 35.3 93 114 A L E -CD 77 112A 20 -16,-2.6 -16,-2.5 -2,-0.6 2,-0.4 -0.953 23.4-171.3-121.4 136.0 29.7 8.3 36.8 94 115 A T E -CD 76 111A 40 17,-2.9 17,-2.7 -2,-0.4 2,-0.4 -0.988 10.9-173.6-118.9 129.4 26.4 6.3 36.6 95 116 A V E +CD 75 110A 14 -20,-2.9 -20,-2.4 -2,-0.4 15,-0.2 -0.923 7.9 173.9-119.1 148.9 26.0 3.3 38.8 96 117 A A E - D 0 109A 23 13,-2.4 13,-2.7 -2,-0.4 2,-0.2 -0.996 32.8-108.2-148.9 151.2 23.0 0.9 38.6 97 118 A P E - D 0 108A 22 0, 0.0 2,-0.6 0, 0.0 11,-0.2 -0.541 24.4-139.7 -74.7 144.9 21.8 -2.3 40.0 98 119 A V E - D 0 107A 10 9,-2.9 8,-3.2 -2,-0.2 9,-1.3 -0.944 29.6-160.8-103.0 117.2 21.8 -5.3 37.7 99 120 A L E - D 0 105A 66 -2,-0.6 6,-0.2 6,-0.2 2,-0.1 -0.785 12.4-136.3-106.5 143.8 18.6 -7.2 38.6 100 121 A N > - 0 0 44 4,-2.7 3,-2.0 -2,-0.3 -1,-0.1 -0.237 47.5 -84.2 -79.9-174.1 17.5 -10.8 38.0 101 122 A E T 3 S+ 0 0 165 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.698 130.3 56.7 -70.4 -19.8 14.0 -11.6 36.7 102 123 A A T 3 S- 0 0 75 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.230 120.4-107.8 -87.0 0.8 12.6 -11.5 40.3 103 124 A G S < S+ 0 0 25 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.653 74.8 137.5 82.2 17.7 13.9 -7.9 40.7 104 125 A E - 0 0 110 1,-0.0 -4,-2.7 2,-0.0 2,-0.3 -0.748 59.5-107.0-101.9 143.2 16.7 -8.8 43.0 105 126 A T E + D 0 99A 28 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.505 40.5 165.1 -74.8 128.7 20.2 -7.4 42.7 106 127 A I E - 0 0 50 -8,-3.2 2,-0.3 1,-0.4 -84,-0.2 0.650 67.7 -6.9-110.9 -25.7 22.8 -9.7 41.4 107 128 A Y E - D 0 98A 25 -9,-1.3 -9,-2.9 -86,-0.1 -1,-0.4 -0.943 64.6-119.3-151.8 171.2 25.7 -7.3 40.5 108 129 A Y E -AD 20 97A 23 -88,-2.0 -88,-2.7 -2,-0.3 2,-0.4 -0.928 22.6-149.0-115.2 149.9 26.3 -3.5 40.3 109 130 A L E -AD 19 96A 20 -13,-2.7 -13,-2.4 -2,-0.4 2,-0.4 -0.958 9.4-169.4-116.0 131.7 27.3 -1.8 37.1 110 131 A G E +AD 18 95A 3 -92,-3.0 -92,-2.6 -2,-0.4 2,-0.4 -0.988 7.1 175.7-118.0 135.9 29.5 1.3 36.9 111 132 A M E +AD 17 94A 9 -17,-2.7 -17,-2.9 -2,-0.4 2,-0.3 -0.999 14.2 160.9-136.4 128.7 29.9 3.3 33.7 112 133 A H E -AD 16 93A 4 -96,-2.4 -96,-2.4 -2,-0.4 2,-0.4 -0.996 29.9-138.0-147.9 159.8 31.9 6.6 33.6 113 134 A R E - 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