==== 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 4DCV . 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 . 402 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21210.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 283 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 8.7 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 . 3 0.7 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 . 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 . 32 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 0 0 0 1 1 2 0 1 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 1 1 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 . 4 1 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 . 0 1 0 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 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 0 192 0, 0.0 40,-0.1 0, 0.0 41,-0.0 0.000 360.0 360.0 360.0 -50.6 12.4 -0.7 -9.9 2 4 A P - 0 0 24 0, 0.0 40,-2.7 0, 0.0 2,-0.4 -0.273 360.0-140.3 -59.2 149.2 14.0 -3.4 -12.0 3 5 A V E -a 42 0A 27 38,-0.2 64,-2.3 62,-0.1 65,-1.7 -0.938 13.2-164.0-119.6 133.5 15.8 -6.2 -10.1 4 6 A V E -ab 43 68A 1 38,-2.7 40,-1.5 -2,-0.4 2,-0.4 -0.957 3.5-166.7-119.7 132.7 19.1 -7.7 -11.2 5 7 A A E -ab 44 69A 0 63,-2.1 65,-3.3 -2,-0.4 2,-0.6 -0.947 13.9-141.9-119.3 146.3 20.6 -11.1 -9.9 6 8 A I E - b 0 70A 8 38,-0.5 2,-0.4 -2,-0.4 40,-0.2 -0.918 23.6-176.9-103.7 119.5 24.1 -12.5 -10.2 7 9 A V E + b 0 71A 0 63,-3.3 65,-3.4 -2,-0.6 2,-0.3 -0.947 20.2 116.5-121.3 133.8 24.2 -16.3 -10.7 8 10 A G E - b 0 72A 0 -2,-0.4 65,-0.1 63,-0.2 3,-0.1 -0.958 60.1 -79.9-176.3 171.8 27.2 -18.6 -11.0 9 11 A R - 0 0 19 63,-0.5 3,-0.3 -2,-0.3 5,-0.2 -0.205 67.6 -75.2 -73.6 174.5 29.1 -21.5 -9.4 10 12 A P S S+ 0 0 52 0, 0.0 -1,-0.2 0, 0.0 45,-0.0 -0.328 110.5 28.7 -76.7 161.1 31.3 -20.8 -6.4 11 13 A N S S+ 0 0 145 -3,-0.1 -2,-0.1 1,-0.1 63,-0.0 0.887 83.2 110.8 58.1 48.1 34.7 -19.1 -6.6 12 14 A V S S- 0 0 1 -3,-0.3 63,-0.2 -4,-0.1 90,-0.1 0.548 93.8 -95.9-117.3 -20.9 34.0 -17.0 -9.8 13 15 A G S > S+ 0 0 13 59,-0.1 4,-1.9 89,-0.1 5,-0.3 0.579 73.2 142.1 115.4 18.5 33.9 -13.5 -8.2 14 16 A K H > S+ 0 0 36 -5,-0.2 4,-3.0 1,-0.2 5,-0.2 0.895 73.8 50.8 -53.5 -48.3 30.2 -12.9 -7.6 15 17 A S H > S+ 0 0 87 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.845 108.9 50.5 -63.3 -38.8 30.8 -11.1 -4.2 16 18 A T H > S+ 0 0 76 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.989 116.9 39.0 -61.2 -59.4 33.4 -8.7 -5.6 17 19 A I H X S+ 0 0 1 -4,-1.9 4,-2.0 1,-0.2 5,-0.2 0.900 117.5 50.7 -55.8 -48.8 31.2 -7.6 -8.6 18 20 A F H X S+ 0 0 16 -4,-3.0 4,-3.0 -5,-0.3 -1,-0.2 0.933 110.7 47.6 -55.5 -51.8 28.0 -7.6 -6.5 19 21 A N H < S+ 0 0 114 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.862 110.7 54.8 -60.1 -37.6 29.7 -5.5 -3.7 20 22 A R H < S+ 0 0 93 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.864 116.7 33.9 -57.9 -45.3 30.9 -3.1 -6.4 21 23 A I H < S+ 0 0 2 -4,-2.0 13,-2.1 -3,-0.2 2,-0.3 0.738 100.6 93.1 -90.5 -21.8 27.4 -2.6 -7.9 22 24 A A E < +C 33 0A 14 -4,-3.0 11,-0.3 11,-0.2 3,-0.1 -0.527 46.5 177.7 -71.6 130.0 25.4 -2.7 -4.6 23 25 A G E - 0 0 27 9,-3.9 2,-0.3 -2,-0.3 11,-0.2 0.590 57.4 -25.1 -87.7-107.8 24.8 0.5 -2.8 24 26 A E E - 0 0 145 9,-0.3 8,-2.8 1,-0.1 -1,-0.3 -0.827 62.6-106.5-118.4 150.4 22.7 0.0 0.3 25 27 A R E -C 31 0A 155 -2,-0.3 2,-0.4 6,-0.3 6,-0.3 -0.312 33.7-135.7 -63.9 148.2 20.2 -2.6 1.6 26 28 A I 0 0 85 4,-2.5 4,-0.4 1,-0.0 -1,-0.1 -0.925 360.0 360.0-109.5 140.9 16.6 -1.5 1.6 27 29 A S 0 0 154 -2,-0.4 -1,-0.0 0, 0.0 0, 0.0 -0.598 360.0 360.0-162.4 360.0 14.2 -2.3 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 0 170 0, 0.0 16,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 155.6 17.9 -9.6 0.6 30 42 A I E + D 0 44A 52 -4,-0.4 -4,-2.5 14,-0.2 2,-0.4 -0.728 360.0 178.9-104.0 130.2 17.6 -6.5 -1.5 31 43 A Y E -CD 25 43A 60 12,-2.5 12,-4.8 -2,-0.4 -6,-0.3 -0.954 22.2-133.8-119.3 142.8 20.2 -3.8 -2.2 32 44 A S E - D 0 42A 37 -8,-2.8 -9,-3.9 -2,-0.4 10,-0.3 -0.478 39.2 -87.4 -85.3 168.5 19.8 -0.8 -4.4 33 45 A S E -C 22 0A 11 8,-2.2 -9,-0.3 -11,-0.3 -11,-0.2 -0.335 48.4 -92.3 -78.7 159.8 22.5 0.1 -6.9 34 46 A A - 0 0 11 -13,-2.1 3,-0.5 -11,-0.2 5,-0.3 -0.133 26.9-116.7 -70.8 163.6 25.5 2.3 -6.2 35 47 A E S S+ 0 0 156 1,-0.2 -1,-0.1 3,-0.1 4,-0.1 0.825 109.1 62.4 -69.8 -36.6 25.8 6.1 -6.6 36 48 A W S S+ 0 0 130 2,-0.1 2,-0.3 -15,-0.0 -1,-0.2 0.760 84.3 94.4 -66.4 -23.2 28.5 6.0 -9.2 37 49 A L - 0 0 12 -3,-0.5 2,-0.9 2,-0.1 -4,-0.0 -0.539 69.8-147.3 -70.3 126.7 26.2 4.1 -11.6 38 50 A N S S+ 0 0 161 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.226 79.7 86.9 -80.1 44.4 24.3 6.3 -14.1 39 51 A Y - 0 0 80 -2,-0.9 2,-0.6 -5,-0.3 -2,-0.1 -0.993 69.8-142.3-152.2 135.0 21.6 3.6 -13.6 40 52 A D + 0 0 136 -2,-0.3 2,-0.3 -8,-0.1 -2,-0.0 -0.897 45.7 112.8-108.9 113.6 18.8 3.1 -11.2 41 53 A F - 0 0 5 -2,-0.6 -8,-2.2 -40,-0.1 2,-0.3 -0.973 52.4-108.3-162.6 174.9 18.0 -0.5 -10.0 42 54 A N E -aD 3 32A 37 -40,-2.7 -38,-2.7 -2,-0.3 2,-0.3 -0.879 20.9-148.6-113.3 148.6 17.9 -3.1 -7.2 43 55 A L E -aD 4 31A 0 -12,-4.8 -12,-2.5 -2,-0.3 2,-0.4 -0.818 5.5-151.0-106.4 154.1 20.1 -6.1 -6.6 44 56 A I E -aD 5 30A 7 -40,-1.5 -38,-0.5 -2,-0.3 2,-0.4 -0.989 11.8-138.4-126.3 123.2 19.1 -9.3 -4.9 45 57 A D + 0 0 75 -16,-2.3 -40,-0.0 -2,-0.4 -2,-0.0 -0.647 28.5 166.4 -75.2 131.6 21.6 -11.5 -3.0 46 58 A T + 0 0 18 -2,-0.4 -1,-0.1 -40,-0.2 15,-0.1 0.346 32.1 116.8-128.1 4.6 21.1 -15.2 -3.6 47 59 A G 0 0 29 1,-0.1 11,-0.1 11,-0.0 10,-0.0 0.908 360.0 360.0 -46.9-102.1 24.3 -16.9 -2.3 48 60 A G 0 0 135 9,-0.0 -1,-0.1 10,-0.0 6,-0.0 -0.535 360.0 360.0 -72.7 360.0 24.1 -19.3 0.6 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 0 129 0, 0.0 4,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.4 26.0 -31.4 -2.5 51 68 A F > + 0 0 112 2,-0.1 4,-1.1 3,-0.1 3,-0.5 0.877 360.0 44.3 -98.9 -51.5 27.3 -29.2 -5.3 52 69 A L H > S+ 0 0 98 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.672 108.9 61.6 -66.2 -20.5 24.5 -29.1 -7.9 53 70 A A H > S+ 0 0 45 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.780 102.0 47.0 -84.0 -28.6 21.9 -28.7 -5.2 54 71 A Q H > S+ 0 0 119 -3,-0.5 4,-1.7 -4,-0.3 -2,-0.2 0.834 114.3 47.2 -81.5 -35.8 23.1 -25.3 -3.8 55 72 A I H X S+ 0 0 7 -4,-1.1 4,-2.4 2,-0.2 5,-0.3 0.861 106.8 60.1 -67.5 -38.1 23.4 -23.8 -7.3 56 73 A R H X S+ 0 0 77 -4,-1.3 4,-1.8 1,-0.2 -2,-0.2 0.914 105.7 48.1 -52.1 -46.2 19.9 -25.3 -8.0 57 74 A Q H X S+ 0 0 121 -4,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.904 111.5 48.9 -62.2 -47.7 18.7 -23.1 -5.1 58 75 A Q H X S+ 0 0 16 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.943 112.7 44.5 -58.2 -55.5 20.4 -19.9 -6.3 59 76 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.862 112.7 53.3 -63.3 -38.5 19.2 -20.0 -9.9 60 77 A E H X S+ 0 0 62 -4,-1.8 4,-1.6 -5,-0.3 -1,-0.2 0.965 109.8 47.8 -56.9 -56.4 15.7 -20.9 -8.9 61 78 A I H X S+ 0 0 64 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.875 112.9 48.5 -54.5 -42.5 15.6 -17.9 -6.6 62 79 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.957 106.4 56.0 -63.0 -50.7 16.9 -15.6 -9.3 63 80 A M H < S+ 0 0 12 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.780 115.4 39.0 -55.4 -32.1 14.4 -16.9 -11.9 64 81 A D H < S+ 0 0 115 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.924 127.6 29.0 -79.9 -50.0 11.5 -16.0 -9.6 65 82 A E H < S+ 0 0 112 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.891 106.8 72.5 -85.9 -42.5 12.7 -12.7 -8.1 66 83 A A < - 0 0 0 -4,-2.6 -62,-0.2 -5,-0.3 3,-0.1 -0.321 51.5-162.8 -79.0 157.6 15.0 -11.1 -10.7 67 84 A D S S+ 0 0 12 -64,-2.3 2,-0.4 1,-0.4 -63,-0.2 0.667 87.0 27.1-100.5 -36.7 14.1 -9.5 -14.0 68 85 A V E S-b 4 0A 0 -65,-1.7 -63,-2.1 27,-0.1 2,-0.5 -0.999 74.8-157.1-131.6 135.2 17.6 -9.7 -15.5 69 86 A I E -be 5 97A 0 27,-2.8 29,-2.8 -2,-0.4 2,-0.5 -0.941 6.6-151.3-117.9 130.1 20.1 -12.2 -14.6 70 87 A I E -be 6 98A 1 -65,-3.3 -63,-3.3 -2,-0.5 2,-0.6 -0.895 14.0-152.4 -95.6 127.5 23.9 -11.9 -14.9 71 88 A F E -be 7 99A 0 27,-2.8 29,-3.2 -2,-0.5 2,-0.5 -0.905 12.9-155.3-105.4 118.0 25.5 -15.4 -15.4 72 89 A M E +be 8 100A 0 -65,-3.4 -63,-0.5 -2,-0.6 2,-0.2 -0.825 18.7 168.1-106.5 123.9 29.0 -15.4 -14.1 73 90 A V E - e 0 101A 0 27,-2.4 29,-2.1 -2,-0.5 2,-0.6 -0.715 37.3-104.3-116.9 175.6 31.8 -17.8 -15.3 74 91 A N E > -Fe 78 102A 11 4,-0.5 4,-2.5 -2,-0.2 29,-0.1 -0.899 19.8-163.8-111.9 114.6 35.6 -17.7 -14.7 75 92 A G T 4 S+ 0 0 13 27,-2.2 -1,-0.2 -2,-0.6 28,-0.2 0.917 87.7 53.7 -58.0 -53.3 37.9 -16.6 -17.5 76 93 A R T 4 S+ 0 0 189 26,-0.3 -1,-0.2 27,-0.3 27,-0.1 0.852 121.1 34.0 -54.8 -39.4 41.2 -17.9 -16.1 77 94 A E T 4 S- 0 0 114 1,-0.2 2,-0.3 -3,-0.1 -2,-0.2 0.966 100.3-159.2 -74.8 -71.2 39.7 -21.4 -15.8 78 95 A G B < -F 74 0A 13 -4,-2.5 2,-1.3 2,-0.0 -4,-0.5 -0.896 48.0 -7.9 125.2-156.3 37.3 -21.4 -18.8 79 96 A V S S- 0 0 51 -2,-0.3 2,-0.2 -6,-0.1 -4,-0.0 -0.655 71.5-174.7 -79.5 96.6 34.2 -23.4 -19.6 80 97 A T >> - 0 0 37 -2,-1.3 4,-1.9 1,-0.1 3,-1.2 -0.622 39.2-116.2 -86.9 154.4 34.1 -26.0 -16.8 81 98 A A H 3> S+ 0 0 68 1,-0.3 4,-1.3 -2,-0.2 -1,-0.1 0.795 119.6 63.2 -58.5 -27.5 31.5 -28.7 -16.8 82 99 A A H 3> S+ 0 0 26 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.832 103.1 47.1 -64.1 -34.2 30.4 -27.1 -13.6 83 100 A D H <> S+ 0 0 0 -3,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.924 106.5 58.2 -70.5 -41.6 29.6 -24.0 -15.7 84 101 A E H X S+ 0 0 90 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.764 104.6 52.3 -59.1 -27.9 27.8 -26.2 -18.2 85 102 A E H X S+ 0 0 81 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.934 107.8 48.1 -74.6 -48.1 25.4 -27.4 -15.5 86 103 A V H X S+ 0 0 1 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.911 110.1 55.5 -57.3 -44.2 24.4 -24.0 -14.3 87 104 A A H X S+ 0 0 2 -4,-2.5 4,-1.5 1,-0.2 3,-0.4 0.958 103.9 53.0 -49.4 -56.7 23.8 -23.1 -17.9 88 105 A K H >< S+ 0 0 109 -4,-1.8 3,-0.5 1,-0.3 4,-0.3 0.889 107.6 52.3 -51.1 -43.6 21.4 -26.1 -18.2 89 106 A I H >< S+ 0 0 15 -4,-2.0 3,-1.9 1,-0.2 -1,-0.3 0.929 106.4 52.4 -56.6 -45.2 19.5 -24.8 -15.2 90 107 A L H >< S+ 0 0 2 -4,-2.0 3,-1.5 -3,-0.4 -1,-0.2 0.705 88.1 77.9 -74.3 -17.9 19.0 -21.3 -16.7 91 108 A Y T << S+ 0 0 80 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.724 79.7 78.6 -55.7 -18.7 17.6 -22.7 -20.0 92 109 A R T < S+ 0 0 153 -3,-1.9 2,-0.3 -4,-0.3 -1,-0.3 0.307 85.8 73.0 -75.1 8.4 14.5 -23.0 -17.8 93 110 A T < - 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