==== 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 GTP BINDING PROTEIN/TRANSFERASE 27-NOV-09 3KUD . COMPND 2 MOLECULE: GTPASE HRAS; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.FILCHTINSKI,O.SHARABI,A.RUEPPEL,I.R.VETTER,C.HERRMANN,J.M. . 241 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11998.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 29 12.0 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 . 51 21.2 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 0 0 0 1 2 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 1 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 PARALLEL BRIDGES PER LADDER . 2 0 1 1 1 0 0 0 0 1 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 0 0 0 0 0 0 1 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 1 A M 0 0 137 0, 0.0 50,-0.2 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 149.6 -6.5 -6.4 -33.5 2 2 A T - 0 0 65 48,-0.4 50,-2.8 1,-0.1 2,-0.4 -0.280 360.0-143.5 -59.4 138.2 -10.3 -5.6 -34.0 3 3 A E E -a 52 0A 84 48,-0.2 2,-0.5 50,-0.1 50,-0.2 -0.919 7.6-158.8-106.7 136.9 -12.7 -7.3 -31.6 4 4 A Y E -a 53 0A 14 48,-4.4 50,-3.4 -2,-0.4 2,-0.9 -0.962 6.2-152.8-117.0 120.5 -16.1 -8.4 -32.8 5 5 A K E -a 54 0A 70 -2,-0.5 71,-2.5 48,-0.2 72,-1.7 -0.773 20.1-177.0 -93.9 103.0 -18.8 -8.9 -30.2 6 6 A L E -ab 55 77A 2 48,-2.8 50,-3.1 -2,-0.9 2,-0.4 -0.765 10.2-160.1-104.5 139.9 -21.3 -11.5 -31.4 7 7 A V E -ab 56 78A 5 70,-2.9 72,-3.1 -2,-0.4 2,-0.6 -0.973 4.7-153.1-121.4 138.6 -24.4 -12.6 -29.6 8 8 A V E +ab 57 79A 0 48,-3.0 50,-1.8 -2,-0.4 2,-0.3 -0.959 24.1 167.2-113.3 116.9 -26.3 -15.8 -30.2 9 9 A V E + b 0 80A 2 70,-2.7 72,-2.9 -2,-0.6 2,-0.2 -0.884 13.5 103.5-128.9 164.1 -30.0 -15.9 -29.4 10 10 A G - 0 0 0 -2,-0.3 72,-0.1 50,-0.3 3,-0.1 -0.780 65.6 -40.6 144.9 163.4 -33.0 -18.1 -30.1 11 11 A A S > S- 0 0 3 70,-0.4 3,-1.1 78,-0.3 5,-0.3 0.071 73.7 -79.9 -44.1 160.2 -35.4 -20.7 -28.5 12 12 A G T 3 S+ 0 0 10 1,-0.2 -1,-0.1 2,-0.1 77,-0.1 -0.388 111.3 14.5 -67.5 142.8 -34.1 -23.4 -26.1 13 13 A G T 3 S+ 0 0 24 49,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.495 83.2 119.8 77.4 6.4 -32.5 -26.5 -27.8 14 14 A V S < S- 0 0 0 -3,-1.1 70,-0.1 67,-0.1 68,-0.1 0.696 90.0 -96.8 -82.9 -10.3 -32.0 -25.0 -31.3 15 15 A G S > S+ 0 0 15 66,-0.1 4,-2.3 101,-0.1 5,-0.2 0.603 75.0 140.3 105.0 20.7 -28.2 -25.5 -31.2 16 16 A K H > S+ 0 0 10 -5,-0.3 4,-1.8 1,-0.2 5,-0.1 0.934 81.7 39.9 -57.1 -44.0 -26.9 -22.1 -30.1 17 17 A S H > S+ 0 0 34 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.914 114.4 52.6 -77.2 -43.2 -24.2 -23.6 -27.9 18 18 A A H > S+ 0 0 16 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.887 109.5 49.8 -61.0 -31.6 -23.4 -26.4 -30.3 19 19 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.942 114.0 45.9 -67.9 -42.6 -22.8 -23.9 -33.1 20 20 A T H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.938 114.2 45.9 -65.1 -51.3 -20.6 -21.9 -30.9 21 21 A I H X>S+ 0 0 6 -4,-3.1 4,-3.3 1,-0.3 6,-0.7 0.901 111.9 52.9 -58.0 -45.7 -18.6 -24.9 -29.6 22 22 A Q H X5S+ 0 0 8 -4,-2.2 4,-1.0 -5,-0.3 -1,-0.3 0.898 112.6 44.2 -57.3 -43.2 -18.3 -26.2 -33.1 23 23 A L H <5S+ 0 0 7 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.957 121.3 40.7 -62.3 -47.0 -16.9 -22.8 -34.1 24 24 A I H <5S+ 0 0 17 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.860 134.8 10.5 -65.1 -44.3 -14.6 -22.5 -31.1 25 25 A Q H <5S- 0 0 80 -4,-3.3 -3,-0.2 2,-0.2 -1,-0.2 0.295 91.9-118.8-133.8 -4.2 -13.2 -26.1 -30.6 26 26 A N S < S-C 49 0A 0 3,-2.4 3,-2.1 -2,-0.5 -2,-0.0 -0.995 73.0 -18.4-121.9 120.4 -11.6 -13.7 -41.5 47 47 A D T 3 S- 0 0 95 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.887 129.6 -50.0 48.2 48.1 -10.9 -12.3 -45.0 48 48 A G T 3 S+ 0 0 74 1,-0.2 2,-0.6 -3,-0.0 -1,-0.3 0.433 113.8 113.9 81.7 -7.3 -7.3 -11.7 -44.2 49 49 A E E < - C 0 46A 58 -3,-2.1 -3,-2.4 -48,-0.0 2,-0.5 -0.898 60.4-140.8-104.7 121.6 -7.9 -9.8 -40.9 50 50 A T E + C 0 45A 64 -2,-0.6 -48,-0.4 -5,-0.2 2,-0.3 -0.670 42.7 159.0 -67.9 123.8 -6.7 -11.4 -37.6 51 51 A C E - C 0 44A 0 -7,-3.1 -7,-2.7 -2,-0.5 2,-0.5 -0.923 41.8-108.0-148.4 174.9 -9.4 -10.6 -35.2 52 52 A L E -aC 3 43A 29 -50,-2.8 -48,-4.4 -2,-0.3 2,-0.7 -0.922 20.1-156.3-113.2 123.7 -11.1 -11.4 -31.9 53 53 A L E -aC 4 42A 0 -11,-3.3 -11,-1.8 -2,-0.5 2,-0.8 -0.886 5.7-169.3 -97.3 114.0 -14.5 -12.9 -31.7 54 54 A D E -aC 5 41A 19 -50,-3.4 -48,-2.8 -2,-0.7 2,-0.6 -0.906 14.7-169.6 -98.1 107.4 -16.2 -12.2 -28.5 55 55 A I E -aC 6 40A 0 -15,-2.8 -15,-2.4 -2,-0.8 2,-0.8 -0.887 15.1-162.0-112.1 117.4 -19.3 -14.5 -28.5 56 56 A L E -aC 7 39A 23 -50,-3.1 -48,-3.0 -2,-0.6 2,-0.5 -0.850 9.7-162.0 -95.2 109.4 -22.1 -14.3 -26.0 57 57 A D E -aC 8 38A 0 -19,-3.3 -19,-2.0 -2,-0.8 2,-0.2 -0.825 16.8-155.2 -90.0 128.7 -24.1 -17.5 -26.1 58 58 A T E - C 0 37A 0 -50,-1.8 2,-0.5 -2,-0.5 -23,-0.2 -0.562 21.1 -87.6-110.1 167.6 -27.5 -16.9 -24.4 59 59 A A - 0 0 0 -23,-0.6 -49,-0.2 -2,-0.2 4,-0.1 -0.625 35.3-130.8 -76.8 122.4 -30.1 -18.9 -22.7 60 60 A G - 0 0 5 -2,-0.5 -50,-0.3 -25,-0.2 3,-0.1 0.817 57.1 -77.6 -26.9-123.8 -32.7 -20.5 -25.0 61 61 A Q S S+ 0 0 57 1,-0.1 2,-1.3 3,-0.1 4,-0.2 0.346 103.1 120.2-134.8 -7.9 -36.0 -19.7 -23.4 62 62 A E S S- 0 0 99 2,-0.1 -2,-0.2 1,-0.1 -27,-0.2 -0.911 96.3-105.8 -67.0 91.1 -35.2 -22.3 -21.0 63 63 A E S S+ 0 0 113 -2,-1.3 2,-0.3 -3,-0.1 -1,-0.1 -0.148 88.7 134.3-106.8 -52.8 -35.6 -19.5 -19.8 64 64 A Y + 0 0 94 1,-0.1 4,-0.2 -29,-0.1 -5,-0.2 -0.427 19.7 147.7-131.0 55.2 -33.7 -17.2 -18.6 65 65 A S > + 0 0 59 -2,-0.3 2,-4.6 1,-0.2 3,-1.2 0.819 59.6 77.6 -44.7 -58.9 -34.7 -13.9 -20.0 66 66 A A T 3 S+ 0 0 97 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 -0.020 91.2 62.6 -52.4 41.1 -33.9 -11.6 -17.0 67 67 A M T 3 S+ 0 0 29 -2,-4.6 2,-0.9 1,-0.1 -1,-0.2 0.612 91.0 51.7-137.1 -58.1 -30.2 -11.8 -18.0 68 68 A R < + 0 0 14 -3,-1.2 -1,-0.1 -4,-0.2 -10,-0.0 -0.764 65.6 119.0 -97.7 92.2 -29.4 -10.3 -21.5 69 69 A D S S+ 0 0 88 -2,-0.9 -1,-0.2 -3,-0.1 3,-0.1 0.183 95.1 11.3-141.5 12.7 -31.0 -6.9 -21.4 70 70 A Q S >> S+ 0 0 111 -3,-0.1 2,-2.1 0, 0.0 4,-1.8 -0.013 111.2 85.9-163.3 -20.7 -28.0 -4.5 -22.0 71 71 A Y T 34 S+ 0 0 112 1,-0.3 -4,-0.1 -4,-0.2 32,-0.0 -0.535 93.7 48.3 -91.0 65.6 -26.0 -7.6 -22.9 72 72 A M T 34 S+ 0 0 2 -2,-2.1 -1,-0.3 31,-0.1 -65,-0.1 -0.028 101.8 57.6 168.7 -44.1 -27.6 -6.8 -26.2 73 73 A R T <4 S+ 0 0 150 -3,-0.9 -2,-0.2 1,-0.1 31,-0.0 0.662 109.9 50.0 -83.1 -14.9 -26.7 -3.1 -26.2 74 74 A T S < S+ 0 0 64 -4,-1.8 -3,-0.2 30,-0.0 -69,-0.1 0.827 93.1 93.1 -82.7 -37.5 -23.1 -4.4 -25.9 75 75 A G - 0 0 1 -5,-0.2 -69,-0.2 1,-0.1 3,-0.1 -0.247 52.4-170.0 -55.2 137.3 -23.5 -6.9 -28.8 76 76 A E S S+ 0 0 79 -71,-2.5 2,-0.3 1,-0.3 -70,-0.2 0.657 74.3 25.2 -96.1 -25.3 -22.4 -5.6 -32.2 77 77 A G E -b 6 0A 0 -72,-1.7 -70,-2.9 32,-0.1 2,-0.4 -1.000 67.9-151.8-147.4 140.1 -23.9 -8.5 -34.1 78 78 A F E -be 7 111A 0 32,-1.9 34,-2.1 -2,-0.3 2,-0.6 -0.954 6.3-160.2-122.8 132.7 -26.6 -11.1 -33.6 79 79 A L E -be 8 112A 1 -72,-3.1 -70,-2.7 -2,-0.4 2,-0.6 -0.963 14.4-162.2-102.0 118.1 -27.1 -14.6 -34.8 80 80 A C E -be 9 113A 1 32,-3.0 34,-2.8 -2,-0.6 2,-0.4 -0.940 16.5-168.9-107.1 119.0 -30.8 -15.4 -34.5 81 81 A V E + e 0 114A 0 -72,-2.9 -70,-0.4 -2,-0.6 2,-0.3 -0.843 19.8 166.1-118.5 140.5 -31.0 -19.1 -34.6 82 82 A F E - e 0 115A 0 32,-2.3 34,-3.7 -2,-0.4 2,-0.4 -0.833 36.0-115.8-138.2 167.4 -34.0 -21.5 -35.0 83 83 A A E > - e 0 116A 0 3,-0.5 3,-1.8 -2,-0.3 7,-0.3 -0.930 15.5-132.8-109.1 144.2 -33.8 -25.2 -35.8 84 84 A I T 3 S+ 0 0 1 32,-3.1 40,-3.2 -2,-0.4 41,-2.2 0.640 107.0 51.7 -72.1 -9.4 -35.4 -26.5 -39.1 85 85 A N T 3 S+ 0 0 53 31,-0.3 2,-0.4 38,-0.3 -1,-0.3 -0.014 98.4 70.3-109.7 27.9 -37.1 -29.2 -37.3 86 86 A N <> - 0 0 55 -3,-1.8 4,-1.5 1,-0.1 -3,-0.5 -0.809 55.7-176.1-149.0 86.9 -38.7 -27.0 -34.7 87 87 A T H > S+ 0 0 56 -2,-0.4 4,-2.1 1,-0.2 3,-0.2 0.901 83.3 58.4 -50.0 -46.5 -41.4 -24.9 -36.1 88 88 A K H > S+ 0 0 114 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.907 101.9 54.0 -55.9 -43.5 -42.0 -23.1 -32.8 89 89 A S H > S+ 0 0 1 1,-0.2 4,-0.8 2,-0.2 -78,-0.3 0.878 106.6 52.2 -65.8 -28.3 -38.4 -21.9 -32.6 90 90 A F H >< S+ 0 0 29 -4,-1.5 3,-0.8 -7,-0.3 4,-0.4 0.939 110.1 49.0 -68.4 -38.8 -38.9 -20.4 -36.1 91 91 A E H >< S+ 0 0 126 -4,-2.1 3,-0.6 1,-0.2 4,-0.3 0.791 105.6 59.1 -69.0 -27.7 -42.0 -18.5 -34.8 92 92 A D H >X S+ 0 0 23 -4,-2.0 3,-1.3 1,-0.2 4,-1.3 0.720 82.7 83.8 -71.7 -23.3 -40.0 -17.4 -31.8 93 93 A I H S+ 0 0 101 -3,-0.6 4,-2.8 -4,-0.4 -1,-0.3 0.868 99.9 52.4 -62.9 -38.8 -39.7 -12.5 -34.2 95 95 A Q H <> S+ 0 0 127 -3,-1.3 4,-2.6 -4,-0.3 -1,-0.3 0.927 110.9 48.0 -63.0 -47.0 -39.6 -11.9 -30.4 96 96 A Y H X S+ 0 0 17 -4,-1.3 4,-3.7 2,-0.2 -2,-0.2 0.943 110.3 50.3 -54.7 -50.9 -35.8 -12.0 -30.4 97 97 A R H X S+ 0 0 7 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.893 113.4 47.3 -60.7 -39.2 -35.6 -9.6 -33.3 98 98 A E H X S+ 0 0 78 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.882 111.2 50.0 -64.2 -43.4 -38.0 -7.3 -31.5 99 99 A Q H X S+ 0 0 44 -4,-2.6 4,-2.5 2,-0.2 3,-0.5 0.993 114.3 46.8 -55.2 -57.8 -36.0 -7.6 -28.2 100 100 A I H X S+ 0 0 1 -4,-3.7 4,-1.5 1,-0.3 -2,-0.2 0.871 111.4 48.9 -51.7 -49.2 -32.9 -6.7 -30.3 101 101 A K H < S+ 0 0 58 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.825 115.3 47.9 -62.7 -31.2 -34.6 -3.7 -32.1 102 102 A R H < S+ 0 0 145 -4,-2.0 -2,-0.2 -3,-0.5 -1,-0.2 0.977 110.1 47.1 -70.2 -52.9 -35.7 -2.5 -28.7 103 103 A V H < S+ 0 0 22 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.627 124.3 33.2 -75.2 -15.8 -32.4 -2.8 -26.8 104 104 A K S < S- 0 0 21 -4,-1.5 -31,-0.1 -5,-0.3 5,-0.0 -0.196 94.5-121.5-105.1-148.5 -30.5 -1.1 -29.6 105 105 A D S S+ 0 0 158 -2,-0.1 2,-0.3 3,-0.1 -4,-0.1 0.404 72.2 69.6-142.8 13.5 -32.3 1.6 -31.6 106 106 A S - 0 0 50 -6,-0.2 -2,-0.1 1,-0.0 3,-0.1 -0.871 64.1-135.7-131.7 155.9 -32.4 0.7 -35.3 107 107 A D S S+ 0 0 122 -2,-0.3 2,-0.5 1,-0.2 -6,-0.1 0.386 102.0 67.8 -91.0 2.6 -34.0 -1.8 -37.7 108 108 A D + 0 0 129 -7,-0.1 -1,-0.2 2,-0.0 -3,-0.1 -0.829 64.5 144.8-115.0 80.8 -30.6 -2.2 -39.4 109 109 A V - 0 0 9 -2,-0.5 2,-0.2 -3,-0.1 -32,-0.1 -0.895 65.7 -93.2-105.8 140.8 -28.6 -3.9 -36.6 110 110 A P + 0 0 34 0, 0.0 -32,-1.9 0, 0.0 2,-0.3 -0.514 68.1 154.6 -64.1 128.1 -26.1 -6.5 -37.9 111 111 A M E -e 78 0A 0 -2,-0.2 2,-0.4 -34,-0.2 -32,-0.2 -0.992 32.7-162.8-152.9 148.2 -27.9 -9.7 -37.9 112 112 A V E -e 79 0A 0 -34,-2.1 -32,-3.0 -2,-0.3 2,-0.5 -0.986 17.2-139.5-138.6 143.5 -28.1 -13.2 -39.5 113 113 A L E -ef 80 141A 0 27,-2.5 29,-3.1 -2,-0.4 2,-0.5 -0.770 23.6-168.6 -96.8 122.4 -31.0 -15.7 -39.4 114 114 A V E -ef 81 142A 0 -34,-2.8 -32,-2.3 -2,-0.5 2,-0.7 -0.983 14.1-159.8-117.3 129.7 -29.6 -19.2 -39.0 115 115 A G E -ef 82 143A 0 27,-1.8 29,-3.0 -2,-0.5 3,-0.4 -0.949 27.8-163.4-106.9 109.8 -31.8 -22.4 -39.5 116 116 A N E +e 83 0A 4 -34,-3.7 -32,-3.1 -2,-0.7 -31,-0.3 -0.461 57.7 44.6 -98.8 168.5 -29.8 -25.0 -37.7 117 117 A K > + 0 0 62 27,-0.3 3,-2.6 -34,-0.2 28,-0.2 0.744 58.4 155.7 73.0 31.6 -29.9 -28.7 -37.7 118 118 A C T 3 + 0 0 19 26,-2.9 27,-0.2 -3,-0.4 -1,-0.1 0.533 63.9 71.5 -71.0 1.0 -30.0 -28.9 -41.5 119 119 A D T 3 S+ 0 0 61 25,-0.2 -1,-0.3 31,-0.1 2,-0.1 0.595 81.2 93.2 -82.8 -16.1 -28.5 -32.4 -41.3 120 120 A L < - 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