==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 04-MAY-06 2GW8 . COMPND 2 MOLECULE: PII SIGNAL TRANSDUCTION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR C.E.NICHOLS,S.SAINSBURY,N.S.BERROW,D.ALDERTON,D.K.STAMMERS,R . 99 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6930.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 68.7 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 . 28 28.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 8 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 1 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 . 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 0 A P 0 0 80 0, 0.0 54,-2.6 0, 0.0 55,-0.2 0.000 360.0 360.0 360.0 135.1 22.0 9.9 -8.4 2 1 A M E -AB 54 84A 14 82,-0.8 82,-1.6 52,-0.2 2,-0.3 -0.685 360.0-164.9-107.0 159.6 22.2 10.9 -4.8 3 2 A K E -AB 53 83A 69 50,-2.4 50,-1.9 -2,-0.2 2,-0.4 -0.939 15.0-131.3-138.5 159.0 22.6 14.3 -3.0 4 3 A K E -AB 52 82A 52 78,-3.1 78,-2.4 -2,-0.3 2,-0.5 -0.944 14.2-158.4-115.1 135.3 23.5 15.5 0.4 5 4 A I E -AB 51 81A 0 46,-2.9 46,-1.9 -2,-0.4 2,-0.5 -0.954 5.4-171.0-112.7 129.7 21.5 18.1 2.3 6 5 A E E -AB 50 80A 39 74,-2.6 74,-3.0 -2,-0.5 2,-0.5 -0.991 6.7-173.5-119.8 120.3 23.2 20.0 5.2 7 6 A A E -AB 49 79A 0 42,-2.6 42,-2.8 -2,-0.5 2,-0.7 -0.966 10.1-163.2-120.5 119.9 20.8 22.1 7.2 8 7 A I E +AB 48 78A 33 70,-2.7 70,-1.8 -2,-0.5 2,-0.3 -0.898 30.8 150.5-102.6 113.1 22.0 24.5 9.9 9 8 A V E -A 47 0A 3 38,-2.0 38,-2.4 -2,-0.7 68,-0.1 -0.865 51.2 -72.2-137.9 169.3 19.2 25.5 12.2 10 9 A K > - 0 0 54 -2,-0.3 3,-1.8 66,-0.2 4,-0.2 -0.335 47.3-117.9 -61.0 144.7 18.4 26.6 15.8 11 10 A P G > S+ 0 0 47 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.839 110.3 57.3 -52.6 -42.3 18.8 23.7 18.4 12 11 A F G 3 S+ 0 0 162 1,-0.2 4,-0.3 2,-0.1 -2,-0.1 0.288 93.0 70.3 -78.2 12.3 15.1 23.7 19.4 13 12 A K G <> + 0 0 46 -3,-1.8 4,-2.3 2,-0.1 -1,-0.2 0.459 69.3 96.1-104.6 -3.2 13.9 23.2 15.9 14 13 A L H <> S+ 0 0 45 -3,-1.2 4,-2.9 -4,-0.2 5,-0.2 0.920 82.4 48.2 -51.9 -56.4 15.0 19.6 15.6 15 14 A D H > S+ 0 0 113 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.938 112.6 48.2 -52.4 -53.1 11.7 17.9 16.6 16 15 A D H > S+ 0 0 70 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.889 113.9 46.6 -56.5 -44.1 9.7 20.0 14.2 17 16 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.938 111.9 51.4 -65.1 -46.8 12.1 19.3 11.3 18 17 A R H X S+ 0 0 127 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.927 112.5 43.8 -56.0 -50.8 12.2 15.6 12.0 19 18 A E H X S+ 0 0 110 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.884 111.5 54.7 -65.4 -37.1 8.5 15.1 12.1 20 19 A A H X S+ 0 0 11 -4,-1.9 4,-0.6 -5,-0.3 -1,-0.2 0.907 112.5 42.9 -62.7 -41.7 8.0 17.2 9.0 21 20 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 3,-1.2 0.901 110.1 56.3 -70.9 -39.7 10.5 15.1 7.0 22 21 A T H ><5S+ 0 0 72 -4,-2.6 3,-1.6 1,-0.3 -2,-0.2 0.865 99.9 61.6 -59.6 -34.7 9.0 11.9 8.5 23 22 A E H 3<5S+ 0 0 151 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.769 107.0 44.0 -63.4 -26.4 5.6 13.0 7.1 24 23 A I T <<5S- 0 0 64 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.171 128.5 -92.6-105.0 17.7 7.0 12.9 3.6 25 24 A G T < 5S+ 0 0 40 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.615 86.7 122.0 87.2 14.3 8.9 9.6 3.9 26 25 A I < + 0 0 6 -5,-2.4 -1,-0.2 1,-0.1 -2,-0.2 -0.942 18.2 142.5-113.5 119.4 12.3 10.8 5.0 27 26 A T + 0 0 91 71,-0.9 2,-0.6 -2,-0.5 -1,-0.1 0.735 37.2 89.7-124.6 -38.6 13.7 9.4 8.3 28 27 A G + 0 0 45 70,-0.3 24,-0.3 69,-0.1 2,-0.3 -0.550 52.4 146.9 -73.8 116.4 17.4 8.6 8.4 29 28 A M - 0 0 48 -2,-0.6 2,-0.4 22,-0.1 22,-0.2 -0.966 39.4-137.0-145.7 161.3 19.5 11.6 9.5 30 29 A T E -C 50 0A 87 20,-2.3 20,-2.7 -2,-0.3 2,-0.4 -0.929 20.3-162.4-117.8 141.0 22.6 12.5 11.4 31 30 A V E +C 49 0A 51 -2,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.989 9.3 177.7-130.6 133.1 22.7 15.4 13.9 32 31 A S E -C 48 0A 37 16,-1.8 16,-2.8 -2,-0.4 2,-0.4 -0.959 28.4-119.5-134.1 152.9 25.7 17.3 15.3 33 32 A E E +C 47 0A 147 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.761 40.7 164.3 -90.9 129.7 26.2 20.2 17.6 34 33 A V E -C 46 0A 47 12,-2.2 12,-2.8 -2,-0.4 2,-0.5 -0.886 36.6-114.8-138.6 168.9 28.1 23.2 16.2 35 34 A K E -C 45 0A 134 -2,-0.3 2,-0.5 10,-0.2 12,-0.0 -0.919 27.1-149.0-107.6 131.8 28.7 26.9 16.9 36 35 A G E -C 44 0A 22 8,-2.8 8,-1.9 -2,-0.5 2,-0.3 -0.906 15.9-179.0-107.6 124.7 27.3 29.4 14.5 37 36 A F E +C 43 0A 129 -2,-0.5 2,-0.4 6,-0.2 6,-0.1 -0.780 46.0 56.5-111.8 159.7 29.1 32.8 13.9 38 37 A G 0 0 78 4,-0.6 -1,-0.0 -2,-0.3 -2,-0.0 -0.812 360.0 360.0 131.9 -99.1 28.0 35.6 11.6 39 38 A R 0 0 190 -2,-0.4 4,-0.1 0, 0.0 -2,-0.1 0.037 360.0 360.0 -80.6 360.0 24.6 37.2 11.9 40 ! 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 41 53 A V 0 0 148 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 177.9 30.0 36.2 22.8 42 54 A D + 0 0 137 -5,-0.0 -4,-0.6 2,-0.0 2,-0.3 0.257 360.0 51.6 -99.6 12.0 30.3 36.1 19.0 43 55 A F E - C 0 37A 58 -6,-0.1 -6,-0.2 -4,-0.1 -8,-0.0 -0.968 57.4-151.4-147.5 162.8 28.4 32.8 18.5 44 56 A L E - C 0 36A 112 -8,-1.9 -8,-2.8 -2,-0.3 2,-0.1 -0.982 36.0-100.9-133.5 143.3 25.2 30.8 19.2 45 57 A P E + C 0 35A 82 0, 0.0 2,-0.3 0, 0.0 -10,-0.2 -0.392 47.2 171.1 -64.9 137.3 24.8 27.1 19.4 46 58 A K E - C 0 34A 34 -12,-2.8 -12,-2.2 -36,-0.2 2,-0.4 -0.832 26.7-127.1-135.9 173.1 23.2 25.5 16.3 47 59 A I E -AC 9 33A 4 -38,-2.4 -38,-2.0 -2,-0.3 2,-0.6 -0.981 11.8-144.5-126.5 142.0 22.6 22.0 15.1 48 60 A K E -AC 8 32A 57 -16,-2.8 -16,-1.8 -2,-0.4 2,-0.5 -0.935 13.8-160.7-109.0 115.5 23.7 20.6 11.7 49 61 A I E -AC 7 31A 0 -42,-2.8 -42,-2.6 -2,-0.6 2,-0.4 -0.827 9.7-168.4 -96.1 129.1 21.2 18.1 10.2 50 62 A E E +AC 6 30A 35 -20,-2.7 -20,-2.3 -2,-0.5 2,-0.3 -0.971 12.5 163.4-124.8 132.8 22.6 15.8 7.5 51 63 A L E -A 5 0A 4 -46,-1.9 -46,-2.9 -2,-0.4 2,-0.5 -0.995 22.5-152.9-144.5 148.3 20.8 13.5 5.1 52 64 A V E +A 4 0A 43 -24,-0.3 46,-2.3 -2,-0.3 2,-0.3 -0.990 33.7 149.0-122.6 123.8 21.6 11.7 1.9 53 65 A L E -A 3 0A 0 -50,-1.9 -50,-2.4 -2,-0.5 5,-0.1 -0.915 49.6 -64.6-148.0 172.6 18.8 11.0 -0.5 54 66 A A E >> -A 2 0A 6 -2,-0.3 3,-2.5 -52,-0.2 4,-0.7 -0.323 46.4-120.6 -62.7 139.7 17.7 10.5 -4.1 55 67 A D G >4 S+ 0 0 74 -54,-2.6 3,-0.9 1,-0.3 4,-0.5 0.819 111.7 60.5 -52.0 -34.2 18.0 13.7 -6.2 56 68 A D G 34 S+ 0 0 129 -55,-0.2 4,-0.3 1,-0.2 -1,-0.3 0.627 103.2 52.0 -71.0 -12.2 14.3 13.6 -7.0 57 69 A A G <> S+ 0 0 15 -3,-2.5 4,-1.9 1,-0.1 -1,-0.2 0.555 87.1 85.2 -98.3 -11.1 13.5 13.9 -3.3 58 70 A V H S+ 0 0 145 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.919 111.9 43.6 -57.7 -49.1 13.2 19.7 -3.7 60 72 A R H > S+ 0 0 193 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.897 113.1 52.9 -64.7 -40.1 10.4 18.5 -1.4 61 73 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.942 110.2 47.5 -61.4 -47.6 12.8 18.0 1.5 62 74 A I H X S+ 0 0 45 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.942 110.9 51.8 -57.7 -49.0 14.1 21.5 1.2 63 75 A D H X S+ 0 0 91 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.884 109.9 48.6 -56.8 -41.6 10.6 23.0 1.0 64 76 A V H X S+ 0 0 32 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.877 110.9 49.9 -67.8 -37.9 9.5 21.2 4.2 65 77 A I H X S+ 0 0 2 -4,-2.0 4,-1.8 1,-0.2 5,-0.2 0.926 112.4 47.4 -66.7 -42.8 12.6 22.3 6.1 66 78 A V H X S+ 0 0 39 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.878 107.9 58.3 -64.2 -37.7 12.1 25.9 5.0 67 79 A E H < S+ 0 0 156 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.901 112.9 36.3 -60.4 -44.9 8.4 25.7 6.0 68 80 A V H < S+ 0 0 40 -4,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.753 126.1 38.5 -82.7 -23.4 9.0 24.7 9.6 69 81 A A H < S+ 0 0 13 -4,-1.8 2,-0.3 -5,-0.2 -2,-0.2 0.744 87.6 98.7 -98.9 -28.1 12.1 26.9 10.1 70 82 A R < + 0 0 180 -4,-3.0 7,-0.0 -5,-0.2 -4,-0.0 -0.469 31.1 154.7 -66.4 124.8 11.3 30.1 8.2 71 83 A S - 0 0 60 -2,-0.3 -1,-0.2 2,-0.3 3,-0.1 0.482 59.0-111.6-123.7 -16.2 10.0 32.8 10.5 72 84 A G S S+ 0 0 63 1,-0.3 2,-0.3 0, 0.0 -2,-0.1 0.276 84.3 90.4 101.3 -10.9 10.9 35.9 8.5 73 85 A K S > S- 0 0 118 1,-0.2 3,-0.5 0, 0.0 -1,-0.3 -0.860 85.7 -66.1-122.8 157.7 13.7 37.3 10.8 74 86 A I T 3 S+ 0 0 122 -2,-0.3 -1,-0.2 1,-0.2 0, 0.0 0.147 110.0 33.0 -35.8 140.3 17.5 36.9 11.2 75 87 A G T 3 + 0 0 10 2,-0.1 -1,-0.2 1,-0.0 -65,-0.2 0.569 65.1 135.2 87.5 10.8 18.9 33.5 12.2 76 88 A D < - 0 0 31 -3,-0.5 -66,-0.2 1,-0.2 2,-0.2 0.723 65.5-120.1 -63.8 -20.3 16.4 31.2 10.5 77 89 A G - 0 0 32 -68,-0.1 2,-0.3 -70,-0.0 -1,-0.2 -0.607 19.7 -87.6 115.4-175.2 19.3 29.1 9.2 78 90 A K E -B 8 0A 105 -70,-1.8 -70,-2.7 -2,-0.2 2,-0.4 -0.982 19.4-154.4-142.1 151.2 20.9 27.8 6.0 79 91 A I E -B 7 0A 50 -2,-0.3 2,-0.4 -72,-0.2 -72,-0.2 -0.994 12.0-173.4-130.9 127.6 20.5 24.8 3.7 80 92 A F E -B 6 0A 95 -74,-3.0 -74,-2.6 -2,-0.4 2,-0.5 -0.937 8.8-157.9-121.2 143.7 23.3 23.5 1.4 81 93 A V E -B 5 0A 70 -2,-0.4 -76,-0.2 -76,-0.2 -2,-0.0 -0.984 14.4-179.9-121.5 126.3 23.1 20.7 -1.2 82 94 A L E -B 4 0A 73 -78,-2.4 -78,-3.1 -2,-0.5 2,-0.1 -0.936 30.9-105.3-125.2 148.9 26.2 18.8 -2.3 83 95 A P E -B 3 0A 105 0, 0.0 2,-0.4 0, 0.0 -80,-0.2 -0.430 27.6-157.0 -72.5 143.9 26.7 16.1 -4.9 84 96 A V E -B 2 0A 35 -82,-1.6 -82,-0.8 -2,-0.1 3,-0.1 -0.993 11.1-171.5-123.4 125.6 27.2 12.5 -3.7 85 97 A E S S+ 0 0 182 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.735 77.0 19.0 -87.5 -25.7 29.0 10.0 -5.9 86 98 A E - 0 0 154 -85,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.986 55.3-175.7-148.3 135.2 28.3 6.9 -3.8 87 99 A A - 0 0 15 -2,-0.3 9,-1.3 -3,-0.1 2,-0.4 -0.930 21.1-174.8-132.8 105.9 25.8 6.2 -1.0 88 100 A I B -D 95 0B 104 -2,-0.4 2,-0.9 7,-0.3 7,-0.2 -0.899 26.7-148.0-116.3 131.3 26.4 2.8 0.6 89 101 A R >> - 0 0 94 5,-3.1 4,-3.0 -2,-0.4 3,-0.8 -0.822 20.4-147.5 -90.1 107.5 24.5 0.9 3.2 90 102 A I T 34 S+ 0 0 167 -2,-0.9 -1,-0.2 1,-0.2 6,-0.0 0.795 88.8 64.7 -46.5 -36.8 27.3 -1.1 4.9 91 103 A R T 34 S- 0 0 176 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.913 126.8 -0.6 -56.9 -50.6 25.0 -4.1 5.7 92 104 A T T <4 S- 0 0 74 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.558 91.1-112.7-119.4 -13.9 24.3 -5.1 2.1 93 105 A G S < S+ 0 0 52 -4,-3.0 -3,-0.1 1,-0.3 -6,-0.1 0.469 73.2 136.6 91.0 0.5 26.1 -2.7 -0.2 94 106 A E - 0 0 113 -5,-0.4 -5,-3.1 1,-0.1 -1,-0.3 -0.254 66.6 -77.1 -72.8 169.1 22.8 -1.4 -1.4 95 107 A R B -D 88 0B 151 -7,-0.2 2,-1.0 -3,-0.1 -7,-0.3 -0.446 36.3-131.3 -73.3 142.1 22.3 2.3 -1.8 96 108 A S + 0 0 56 -9,-1.3 2,-0.5 -2,-0.1 -1,-0.1 -0.811 38.1 168.1 -95.1 98.6 21.7 4.4 1.3 97 109 A D > - 0 0 23 -2,-1.0 3,-1.5 1,-0.1 -44,-0.2 -0.950 29.7-163.0-119.5 115.8 18.7 6.5 0.5 98 110 A A T 3 S+ 0 0 11 -46,-2.3 -71,-0.9 -2,-0.5 -70,-0.3 0.813 100.2 50.5 -63.6 -29.5 16.8 8.5 3.2 99 111 A A T 3 0 0 21 -73,-0.2 -1,-0.3 -47,-0.1 -46,-0.1 0.465 360.0 360.0 -85.8 -1.9 13.9 8.8 0.8 100 112 A V < 0 0 163 -3,-1.5 -1,-0.1 -5,-0.0 -2,-0.1 0.197 360.0 360.0 45.1 360.0 14.1 5.0 0.3