==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JAN-12 4DCS . COMPND 2 MOLECULE: GTP-BINDING PROTEIN ENGA; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR J.-B.REISER,D.HOUSSET,A.-E.FOUCHER,J.-M.JAULT . 406 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21552.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 25 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 1 0 0 1 2 1 0 3 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 3 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 PARALLEL BRIDGES PER LADDER . 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 0 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 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 3 A K 0 0 189 0, 0.0 40,-0.1 0, 0.0 41,-0.0 0.000 360.0 360.0 360.0 -56.2 13.3 -1.3 -10.0 2 4 A P - 0 0 23 0, 0.0 40,-3.0 0, 0.0 2,-0.4 -0.289 360.0-141.6 -56.3 143.9 15.1 -3.7 -12.4 3 5 A V E -a 42 0A 25 38,-0.2 64,-2.7 62,-0.0 65,-1.8 -0.924 14.8-166.0-116.4 133.9 16.7 -6.6 -10.5 4 6 A V E -ab 43 68A 0 38,-2.6 40,-2.0 -2,-0.4 2,-0.3 -0.946 2.6-170.5-121.3 139.6 20.1 -8.1 -11.3 5 7 A A E -ab 44 69A 0 63,-1.8 65,-3.4 -2,-0.4 2,-0.5 -0.952 15.3-142.5-126.8 149.2 21.7 -11.3 -10.1 6 8 A I E - b 0 70A 9 38,-0.5 2,-0.4 -2,-0.3 40,-0.2 -0.962 27.1-179.5-112.9 128.2 25.2 -12.8 -10.5 7 9 A V E + b 0 71A 2 63,-3.2 65,-2.9 -2,-0.5 2,-0.2 -0.962 18.0 100.7-135.1 140.1 25.4 -16.6 -11.0 8 10 A G - 0 0 0 -2,-0.4 65,-0.1 63,-0.2 3,-0.1 -0.860 66.7 -54.2 163.0 169.0 28.1 -19.2 -11.5 9 11 A R S S- 0 0 33 63,-0.3 3,-0.4 -2,-0.2 5,-0.2 -0.220 72.0 -86.0 -59.6 151.8 30.1 -22.0 -9.9 10 12 A P S S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 45,-0.0 -0.183 106.4 31.9 -61.5 155.4 32.1 -21.0 -6.7 11 13 A N S S+ 0 0 145 -3,-0.1 -2,-0.1 1,-0.1 63,-0.0 0.845 78.9 110.5 67.3 40.4 35.5 -19.4 -6.9 12 14 A V S S- 0 0 0 -3,-0.4 63,-0.2 -4,-0.1 90,-0.1 0.350 97.8 -92.9-116.6 -1.4 35.2 -17.5 -10.2 13 15 A G S > S+ 0 0 18 59,-0.1 4,-1.7 61,-0.1 5,-0.2 0.663 78.2 139.5 102.2 22.0 35.2 -14.0 -8.6 14 16 A K H > S+ 0 0 36 -5,-0.2 4,-2.6 1,-0.2 5,-0.1 0.861 70.6 50.8 -63.2 -42.5 31.5 -13.4 -8.1 15 17 A S H > S+ 0 0 87 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.904 108.0 52.4 -65.1 -45.3 31.7 -11.8 -4.6 16 18 A T H > S+ 0 0 80 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.944 114.5 41.9 -54.4 -55.6 34.4 -9.3 -5.6 17 19 A I H X S+ 0 0 3 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.904 114.4 52.3 -59.0 -46.3 32.4 -8.0 -8.6 18 20 A F H X S+ 0 0 23 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.940 109.9 47.9 -55.0 -51.5 29.2 -8.0 -6.5 19 21 A N H < S+ 0 0 118 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.818 109.6 54.9 -61.7 -33.8 30.8 -5.9 -3.8 20 22 A R H < S+ 0 0 82 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.924 115.9 34.9 -62.7 -47.6 32.1 -3.5 -6.3 21 23 A I H < S+ 0 0 1 -4,-2.0 13,-2.9 -5,-0.1 2,-0.3 0.587 101.4 90.1 -92.1 -10.3 28.8 -2.7 -7.9 22 24 A A E < -C 33 0A 17 -4,-1.7 11,-0.3 11,-0.3 13,-0.1 -0.619 49.0-177.9 -88.3 145.3 26.5 -2.9 -4.8 23 25 A G E - 0 0 32 9,-3.9 11,-0.2 1,-0.3 2,-0.2 0.151 51.1 -16.0-105.4-132.7 25.7 -0.0 -2.5 24 26 A E E S- 0 0 164 9,-0.2 8,-2.5 7,-0.1 2,-0.3 -0.469 71.3-104.8 -79.5 146.8 23.6 0.0 0.6 25 27 A R E -C 31 0A 140 6,-0.2 2,-0.8 -2,-0.2 6,-0.2 -0.541 26.6-129.9 -72.7 126.9 21.2 -2.8 1.6 26 28 A I 0 0 89 4,-1.6 4,-0.5 -2,-0.3 -1,-0.1 -0.711 360.0 360.0 -77.6 110.5 17.5 -2.1 1.1 27 29 A S 0 0 153 -2,-0.8 -1,-0.1 2,-0.1 4,-0.0 0.388 360.0 360.0-130.7 360.0 16.0 -3.0 4.5 28 ! 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 29 41 A R 0 0 177 0, 0.0 16,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-115.1 18.8 -9.9 0.7 30 42 A I E - D 0 44A 68 -4,-0.5 -4,-1.6 14,-0.2 2,-0.4 -0.840 360.0-165.6-103.5 135.0 18.4 -7.1 -1.8 31 43 A Y E -CD 25 43A 46 12,-2.4 12,-3.6 -2,-0.4 -6,-0.2 -0.929 18.8-124.0-118.8 144.9 21.1 -4.4 -2.3 32 44 A S E - D 0 42A 31 -8,-2.5 -9,-3.9 -2,-0.4 10,-0.2 -0.439 39.7 -96.5 -77.0 157.4 20.9 -1.1 -4.2 33 45 A S E -C 22 0A 9 8,-1.4 -11,-0.3 -11,-0.3 -9,-0.2 -0.500 51.8 -86.0 -77.6 150.2 23.4 -0.4 -6.9 34 46 A A > - 0 0 8 -13,-2.9 3,-1.1 -11,-0.2 -11,-0.2 -0.139 32.7-117.5 -59.5 149.7 26.5 1.7 -6.1 35 47 A E T 3 S+ 0 0 184 1,-0.3 -1,-0.1 -13,-0.1 -2,-0.1 0.792 109.1 57.4 -57.9 -38.5 26.4 5.5 -6.2 36 48 A W T 3 S+ 0 0 140 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.728 83.8 104.3 -69.0 -24.1 29.0 5.9 -8.9 37 49 A L < - 0 0 18 -3,-1.1 -4,-0.0 1,-0.1 -16,-0.0 -0.276 65.1-146.3 -61.7 140.9 27.1 3.8 -11.4 38 50 A N S S+ 0 0 160 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.037 78.1 78.9 -95.4 31.6 25.2 5.6 -14.2 39 51 A Y S S- 0 0 54 2,-0.1 2,-0.6 0, 0.0 -2,-0.1 -0.969 72.8-137.1-133.5 148.6 22.5 2.9 -14.1 40 52 A D + 0 0 130 -2,-0.3 2,-0.3 100,-0.1 -2,-0.0 -0.926 50.6 112.2-113.0 110.5 19.6 2.5 -11.8 41 53 A F - 0 0 3 -2,-0.6 -8,-1.4 -40,-0.1 2,-0.3 -0.962 52.1-116.1-159.3 171.1 18.9 -1.1 -10.6 42 54 A N E -aD 3 32A 36 -40,-3.0 -38,-2.6 -2,-0.3 2,-0.3 -0.814 19.7-138.7-114.0 159.8 19.0 -3.5 -7.6 43 55 A L E -aD 4 31A 0 -12,-3.6 -12,-2.4 -2,-0.3 2,-0.4 -0.887 7.0-149.6-112.3 148.8 21.1 -6.6 -6.9 44 56 A I E -aD 5 30A 8 -40,-2.0 -38,-0.5 -2,-0.3 2,-0.4 -0.984 13.0-137.7-116.9 129.7 19.9 -9.8 -5.3 45 57 A D - 0 0 63 -16,-2.2 -40,-0.0 -2,-0.4 -2,-0.0 -0.682 16.5-175.4 -79.0 133.5 22.3 -12.0 -3.2 46 58 A T + 0 0 14 -2,-0.4 16,-0.1 -40,-0.2 -1,-0.1 -0.291 50.5 103.2-123.0 46.7 22.1 -15.7 -3.9 47 59 A G 0 0 46 11,-0.0 11,-0.1 0, 0.0 -1,-0.0 0.891 360.0 360.0 -89.6 -88.2 24.5 -17.1 -1.3 48 60 A G 0 0 134 10,-0.0 10,-0.0 0, 0.0 -2,-0.0 0.933 360.0 360.0 85.8 360.0 22.9 -18.6 1.8 49 ! 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 50 67 A P 0 0 142 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 83.9 25.8 -30.5 -2.0 51 68 A F > + 0 0 130 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.003 360.0 29.6-153.5 -73.1 27.5 -29.3 -5.2 52 69 A L H > S+ 0 0 90 1,-0.2 4,-1.5 2,-0.2 5,-0.0 0.859 127.5 47.2 -62.6 -38.0 25.4 -29.6 -8.3 53 70 A A H > S+ 0 0 60 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.756 108.6 56.3 -73.2 -27.7 22.3 -29.1 -6.1 54 71 A Q H > S+ 0 0 114 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.925 110.2 42.3 -71.2 -47.6 23.9 -26.1 -4.4 55 72 A I H X S+ 0 0 9 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.869 110.7 60.6 -63.7 -38.1 24.5 -24.3 -7.7 56 73 A R H X S+ 0 0 106 -4,-1.5 4,-1.6 -5,-0.2 -2,-0.2 0.907 104.1 47.0 -54.6 -49.1 21.0 -25.3 -8.8 57 74 A Q H X S+ 0 0 132 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.874 110.3 52.4 -66.7 -39.6 19.3 -23.6 -5.9 58 75 A Q H X S+ 0 0 36 -4,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.870 111.7 46.8 -58.9 -42.2 21.2 -20.3 -6.4 59 76 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.771 109.3 54.6 -73.5 -28.3 20.2 -20.3 -10.1 60 77 A E H X S+ 0 0 69 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.870 107.8 48.3 -75.0 -38.2 16.6 -21.0 -9.2 61 78 A I H X S+ 0 0 67 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.920 114.7 48.2 -59.3 -45.5 16.5 -18.0 -6.8 62 79 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.922 110.8 49.3 -63.2 -47.7 18.0 -16.0 -9.6 63 80 A M H < S+ 0 0 17 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.817 117.9 40.7 -61.2 -33.6 15.6 -17.2 -12.3 64 81 A D H < S+ 0 0 100 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.849 126.5 27.5 -85.9 -35.7 12.6 -16.5 -10.1 65 82 A E H < S+ 0 0 133 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.652 104.7 77.0-106.3 -19.8 13.5 -13.1 -8.5 66 83 A A < - 0 0 0 -4,-2.2 -62,-0.2 -5,-0.3 3,-0.1 -0.504 53.3-158.1 -93.6 162.1 15.9 -11.4 -11.0 67 84 A D S S+ 0 0 24 -64,-2.7 2,-0.4 1,-0.4 -63,-0.2 0.712 86.3 24.2-102.9 -34.5 15.1 -9.6 -14.3 68 85 A V E S-b 4 0A 0 -65,-1.8 -63,-1.8 27,-0.1 2,-0.5 -0.999 74.0-150.7-133.2 136.0 18.6 -9.9 -15.8 69 86 A I E -be 5 97A 0 27,-3.0 29,-3.1 -2,-0.4 2,-0.6 -0.913 4.1-154.2-111.3 130.6 21.2 -12.6 -15.0 70 87 A I E -be 6 98A 2 -65,-3.4 -63,-3.2 -2,-0.5 2,-0.7 -0.908 13.2-159.0 -95.8 119.8 25.0 -12.2 -15.1 71 88 A F E -be 7 99A 0 27,-2.6 29,-2.6 -2,-0.6 2,-0.4 -0.896 12.7-158.7-102.1 113.1 26.5 -15.7 -15.7 72 89 A M E + e 0 100A 0 -65,-2.9 -63,-0.3 -2,-0.7 2,-0.3 -0.755 16.0 173.0-101.7 135.2 30.1 -15.6 -14.6 73 90 A V E - e 0 101A 0 27,-2.0 29,-2.8 -2,-0.4 2,-0.7 -0.860 36.3-108.8-126.8 166.6 33.0 -18.0 -15.5 74 91 A N E >> - e 0 102A 8 4,-0.3 4,-1.3 -2,-0.3 3,-0.7 -0.876 21.1-160.7-102.2 111.6 36.7 -17.9 -14.8 75 92 A G T 34 S+ 0 0 5 27,-2.6 28,-0.2 -2,-0.7 -1,-0.1 0.735 87.3 59.8 -65.0 -26.3 38.7 -17.1 -18.0 76 93 A R T 34 S+ 0 0 184 26,-0.4 -1,-0.2 1,-0.2 27,-0.1 0.811 111.4 40.7 -73.7 -31.1 42.0 -18.5 -16.7 77 94 A E T <4 S- 0 0 123 -3,-0.7 -2,-0.2 1,-0.2 -1,-0.2 0.708 103.3-150.3 -81.0 -25.7 40.5 -22.0 -16.3 78 95 A G < - 0 0 12 -4,-1.3 2,-0.6 2,-0.1 -4,-0.3 -0.428 52.4 -20.5 77.3-163.6 38.6 -21.6 -19.6 79 96 A V S S- 0 0 34 -2,-0.1 2,-0.2 -4,-0.1 -4,-0.0 -0.702 74.2-170.0 -82.5 117.0 35.2 -23.4 -19.9 80 97 A T >> - 0 0 36 -2,-0.6 4,-2.1 1,-0.1 3,-1.1 -0.672 38.2-106.6-103.8 161.0 35.0 -26.3 -17.4 81 98 A A H 3> S+ 0 0 73 1,-0.3 4,-1.9 -2,-0.2 5,-0.1 0.818 122.2 55.9 -52.0 -35.2 32.4 -29.1 -17.1 82 99 A A H 3> S+ 0 0 24 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.785 105.4 50.3 -71.7 -28.5 31.0 -27.2 -14.1 83 100 A D H <> S+ 0 0 0 -3,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.915 110.0 50.3 -70.6 -44.1 30.4 -24.1 -16.1 84 101 A E H X S+ 0 0 102 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.871 108.7 53.6 -60.3 -39.7 28.6 -26.1 -18.8 85 102 A E H X S+ 0 0 78 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.904 108.6 47.8 -59.6 -45.5 26.5 -27.6 -16.0 86 103 A V H X S+ 0 0 1 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.895 109.4 54.6 -62.8 -42.0 25.5 -24.1 -14.8 87 104 A A H X S+ 0 0 2 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.898 105.3 53.2 -56.4 -44.0 24.7 -23.1 -18.4 88 105 A K H < S+ 0 0 119 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.861 108.2 49.3 -64.6 -38.5 22.4 -26.1 -18.7 89 106 A I H >< S+ 0 0 14 -4,-1.6 3,-1.5 1,-0.2 -1,-0.2 0.933 110.2 52.7 -60.5 -44.1 20.5 -25.1 -15.6 90 107 A L H >< S+ 0 0 1 -4,-2.2 3,-1.8 1,-0.3 -2,-0.2 0.747 89.0 76.5 -70.3 -22.7 20.2 -21.5 -17.1 91 108 A Y T 3< S+ 0 0 80 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.1 0.641 82.4 74.7 -57.1 -12.2 18.7 -22.8 -20.4 92 109 A R T < S+ 0 0 167 -3,-1.5 2,-0.3 -4,-0.2 -1,-0.3 0.436 85.1 72.2 -89.3 0.4 15.5 -23.1 -18.4 93 110 A T < - 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