==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RAS-BINDING DOMAIN 13-FEB-97 2RGF . COMPND 2 MOLECULE: RALGEF-RBD; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.GEYER,C.HERRMANN,A.WITTINGHOFER,H.R.KALBITZER . 97 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6182.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 64 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 19.6 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 . 1 1.0 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-3), SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 15 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 13.4 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+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 0 0 0 1 0 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 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 PARALLEL BRIDGES PER LADDER . 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 A 0 0 156 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -61.4 4.9 -27.8 13.5 2 2 A L - 0 0 148 1,-0.0 3,-0.1 3,-0.0 0, 0.0 -0.972 360.0-116.2-140.5 154.2 4.1 -26.7 10.0 3 3 A P - 0 0 102 0, 0.0 3,-0.2 0, 0.0 -1,-0.0 -0.089 49.4 -67.5 -78.8-177.8 6.1 -26.1 6.7 4 4 A L S S- 0 0 137 1,-0.2 2,-0.3 2,-0.0 3,-0.3 -0.122 77.7 -58.8 -66.3 167.7 6.4 -22.8 4.8 5 5 A Y S S+ 0 0 120 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 -0.300 85.5 125.4 -52.9 108.5 3.5 -21.2 2.9 6 6 A N S S+ 0 0 103 -2,-0.3 2,-0.5 -3,-0.2 -1,-0.2 0.563 72.1 17.6-130.2 -62.5 2.3 -23.8 0.5 7 7 A Q + 0 0 176 -3,-0.3 2,-0.6 2,-0.0 -1,-0.0 -0.863 67.0 166.0-124.6 96.0 -1.4 -24.7 0.8 8 8 A Q + 0 0 56 -2,-0.5 2,-0.4 -3,-0.1 4,-0.0 -0.922 5.1 156.6-115.6 109.0 -3.4 -22.0 2.7 9 9 A V + 0 0 147 -2,-0.6 2,-0.2 4,-0.0 4,-0.1 -0.918 36.0 68.5-135.5 107.9 -7.2 -22.3 2.4 10 10 A G S S- 0 0 56 2,-0.5 2,-0.0 -2,-0.4 -2,-0.0 -0.722 97.0 -30.1-173.7-134.4 -9.4 -20.7 5.1 11 11 A D S S+ 0 0 123 -2,-0.2 23,-1.4 2,-0.0 2,-0.3 -0.295 112.5 49.1-106.6 46.4 -10.5 -17.4 6.5 12 12 A C E -A 33 0A 57 21,-0.4 -2,-0.5 22,-0.1 21,-0.3 -0.980 53.3-178.6-168.8 170.2 -7.2 -15.5 5.7 13 13 A C E -A 32 0A 37 19,-2.8 19,-2.9 -2,-0.3 2,-0.3 -0.860 25.6 -98.9-159.0-169.0 -4.6 -14.7 3.1 14 14 A I E -A 31 0A 57 17,-0.3 2,-0.3 -2,-0.2 17,-0.2 -0.813 24.2-165.4-125.9 166.2 -1.3 -12.8 2.4 15 15 A I E -A 30 0A 4 15,-1.2 15,-2.4 -2,-0.3 2,-0.4 -0.995 17.0-151.7-151.5 152.2 -0.3 -9.4 0.9 16 16 A R E -Ab 29 90A 108 73,-2.4 75,-0.6 -2,-0.3 13,-0.3 -0.799 26.2-169.4-128.3 86.3 2.8 -7.6 -0.4 17 17 A V E -Ab 28 91A 0 11,-2.2 11,-3.2 -2,-0.4 2,-0.3 -0.423 6.1-174.2 -77.6 152.2 2.4 -3.9 0.0 18 18 A S E - b 0 92A 14 73,-0.8 75,-1.8 9,-0.2 2,-0.4 -0.935 15.4-143.1-150.7 122.0 4.7 -1.2 -1.5 19 19 A L E + b 0 93A 5 7,-0.4 6,-0.3 -2,-0.3 75,-0.2 -0.697 27.5 160.0 -88.3 135.1 4.6 2.6 -1.0 20 20 A D + 0 0 104 73,-0.5 4,-0.1 -2,-0.4 74,-0.1 -0.411 51.7 60.5-154.4 69.8 5.4 4.8 -3.9 21 21 A V S S- 0 0 44 2,-0.3 3,-0.1 72,-0.1 73,-0.1 0.157 116.6 -5.3-151.5 -80.9 4.1 8.4 -3.6 22 22 A D S S+ 0 0 77 1,-0.2 2,-0.4 30,-0.1 72,-0.1 0.575 131.7 48.1-104.1 -15.8 5.3 10.6 -0.7 23 23 A N S S- 0 0 23 2,-0.1 2,-2.0 30,-0.0 -2,-0.3 -0.916 70.1-153.2-131.8 106.0 7.4 7.9 1.1 24 24 A G + 0 0 86 -2,-0.4 2,-0.2 -4,-0.1 -4,-0.1 -0.509 37.3 158.6 -78.5 77.0 9.8 5.8 -0.9 25 25 A N - 0 0 37 -2,-2.0 -6,-0.2 -6,-0.3 3,-0.1 -0.631 40.1-105.2-100.3 159.4 9.8 2.7 1.3 26 26 A M - 0 0 148 -2,-0.2 -7,-0.4 1,-0.2 -1,-0.1 -0.218 51.8 -70.6 -76.2 169.5 10.7 -0.9 0.4 27 27 A Y - 0 0 78 -9,-0.1 2,-0.3 -11,-0.0 -9,-0.2 -0.281 51.1-170.7 -61.3 144.0 8.2 -3.8 -0.1 28 28 A K E -A 17 0A 52 -11,-3.2 -11,-2.2 -3,-0.1 2,-0.3 -0.999 17.9-130.3-141.6 135.5 6.4 -5.1 3.0 29 29 A S E -A 16 0A 71 -2,-0.3 2,-0.3 -13,-0.3 -13,-0.3 -0.680 23.9-168.3 -88.5 137.9 4.2 -8.2 3.5 30 30 A I E -A 15 0A 10 -15,-2.4 -15,-1.2 -2,-0.3 2,-0.2 -0.954 21.0-117.0-126.6 145.0 0.8 -7.8 5.2 31 31 A L E -A 14 0A 127 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.3 -0.505 27.6-151.0 -79.9 147.4 -1.7 -10.4 6.5 32 32 A V E -A 13 0A 4 -19,-2.9 -19,-2.8 -2,-0.2 2,-0.2 -0.910 3.0-150.4-121.4 148.6 -5.1 -10.7 5.0 33 33 A T E > -A 12 0A 71 -2,-0.3 3,-1.0 -21,-0.3 -21,-0.4 -0.585 31.7-104.0-109.5 173.3 -8.5 -11.8 6.5 34 34 A S T 3 S+ 0 0 71 -23,-1.4 -22,-0.1 1,-0.3 2,-0.1 0.939 121.7 28.1 -61.6 -49.8 -11.6 -13.5 5.0 35 35 A Q T 3 S+ 0 0 162 -24,-0.2 -1,-0.3 2,-0.0 2,-0.0 -0.362 88.5 165.8-109.8 51.4 -13.6 -10.3 5.0 36 36 A D < - 0 0 4 -3,-1.0 2,-0.3 -2,-0.1 45,-0.2 -0.346 13.7-167.7 -67.6 146.3 -10.8 -7.8 4.6 37 37 A K >> - 0 0 67 1,-0.1 4,-2.4 43,-0.1 3,-0.6 -0.875 37.3 -94.3-133.7 166.3 -11.7 -4.3 3.6 38 38 A A H 3> S+ 0 0 3 -2,-0.3 4,-2.4 1,-0.2 5,-0.4 0.900 122.3 52.2 -43.5 -57.5 -10.0 -1.0 2.5 39 39 A P H 3> S+ 0 0 85 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.868 112.6 46.4 -50.3 -40.9 -9.6 0.4 6.0 40 40 A A H <> S+ 0 0 32 -3,-0.6 4,-3.4 2,-0.2 5,-0.3 0.881 109.8 54.3 -70.3 -39.0 -8.0 -2.8 7.1 41 41 A V H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.963 115.5 37.1 -58.8 -55.6 -5.7 -2.9 4.1 42 42 A I H X S+ 0 0 4 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.881 118.7 51.8 -65.4 -38.9 -4.3 0.6 4.7 43 43 A R H X S+ 0 0 116 -4,-2.1 4,-1.9 -5,-0.4 -2,-0.2 0.972 115.1 39.6 -61.9 -55.7 -4.3 0.1 8.5 44 44 A K H X S+ 0 0 41 -4,-3.4 4,-1.5 1,-0.2 -2,-0.2 0.866 117.6 51.4 -62.0 -36.9 -2.4 -3.2 8.4 45 45 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.3 -1,-0.2 0.900 107.7 51.5 -67.1 -41.8 -0.2 -1.8 5.7 46 46 A M H < S+ 0 0 13 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.868 105.0 57.2 -63.3 -37.2 0.6 1.4 7.7 47 47 A D H >< S+ 0 0 82 -4,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.926 113.9 38.2 -59.6 -45.4 1.6 -0.8 10.7 48 48 A K H 3< S+ 0 0 98 -4,-1.5 2,-0.4 1,-0.3 -2,-0.2 0.866 119.9 48.2 -72.8 -37.1 4.2 -2.6 8.5 49 49 A H T 3X S+ 0 0 0 -4,-2.8 2,-2.6 4,-0.2 4,-0.6 -0.344 70.2 154.8 -98.7 49.6 5.1 0.7 6.8 50 50 A N T <4 + 0 0 91 -3,-0.7 2,-0.2 -2,-0.4 -3,-0.1 -0.296 38.6 105.0 -75.7 57.7 5.4 2.7 10.1 51 51 A L T 4 S- 0 0 72 -2,-2.6 -1,-0.1 -5,-0.1 -4,-0.0 -0.636 112.0 -50.0-139.9 76.3 7.7 5.2 8.5 52 52 A E T 4 S+ 0 0 156 -2,-0.2 -2,-0.1 1,-0.1 -30,-0.1 0.722 119.4 101.4 64.8 22.0 5.9 8.5 7.8 53 53 A E < + 0 0 1 -4,-0.6 2,-0.5 -7,-0.2 -4,-0.2 -0.367 36.1 124.3-131.5 52.5 3.2 6.4 6.1 54 54 A E + 0 0 94 -4,-0.1 -11,-0.1 -7,-0.0 -4,-0.1 -0.641 29.0 119.7-115.6 73.9 0.4 6.2 8.8 55 55 A E > - 0 0 57 -2,-0.5 3,-1.1 -13,-0.2 -12,-0.0 -0.824 33.4-177.2-139.6 96.2 -2.7 7.5 7.1 56 56 A P T 3 S+ 0 0 18 0, 0.0 3,-0.4 0, 0.0 2,-0.3 0.916 88.9 38.1 -57.8 -49.1 -5.7 5.1 6.9 57 57 A E T 3 S+ 0 0 120 1,-0.2 18,-0.1 -15,-0.1 3,-0.0 -0.308 108.0 67.4-100.8 48.5 -8.0 7.5 5.0 58 58 A D S < S+ 0 0 50 -3,-1.1 38,-3.2 -2,-0.3 2,-0.3 0.033 83.4 79.1-153.8 31.6 -5.3 8.9 2.8 59 59 A Y E -C 95 0A 1 -3,-0.4 2,-0.3 36,-0.3 36,-0.3 -0.946 59.8-133.0-142.6 164.3 -4.1 6.1 0.4 60 60 A E E -C 94 0A 50 34,-3.9 34,-1.3 -2,-0.3 2,-0.7 -0.851 18.8-131.2-116.4 151.2 -5.0 4.2 -2.7 61 61 A L E +CD 93 73A 0 12,-3.0 12,-3.7 -2,-0.3 2,-0.2 -0.888 33.3 166.6-110.0 108.6 -5.0 0.4 -3.3 62 62 A L E -CD 92 72A 27 30,-2.6 30,-1.1 -2,-0.7 2,-0.3 -0.711 13.3-162.1-113.2 165.2 -3.2 -0.8 -6.4 63 63 A Q E -CD 91 71A 0 8,-2.5 8,-2.8 28,-0.3 2,-0.6 -0.993 14.4-144.6-152.7 144.3 -2.1 -4.3 -7.5 64 64 A I E +CD 90 70A 47 26,-2.8 26,-0.8 -2,-0.3 6,-0.2 -0.934 35.9 154.1-111.2 114.4 0.3 -5.9 -9.9 65 65 A L - 0 0 12 3,-1.3 20,-0.0 4,-0.9 19,-0.0 -0.723 49.6-114.0-129.9-179.6 -0.9 -9.2 -11.5 66 66 A S S > S+ 0 0 71 -2,-0.2 3,-0.7 2,-0.1 -1,-0.1 0.968 116.6 24.7 -80.3 -63.1 -0.4 -11.4 -14.6 67 67 A D T 3 S+ 0 0 118 1,-0.3 2,-0.6 2,-0.1 3,-0.1 0.874 133.1 43.6 -69.5 -36.8 -3.9 -11.2 -16.1 68 68 A D T 3 S- 0 0 61 1,-0.2 -3,-1.3 16,-0.1 -1,-0.3 -0.546 79.5-173.5-107.8 62.5 -4.5 -7.9 -14.3 69 69 A R S < S- 0 0 173 -3,-0.7 -4,-0.9 -2,-0.6 2,-0.3 0.733 71.1 -7.9 -19.6 -64.8 -1.0 -6.3 -15.1 70 70 A K E -D 64 0A 158 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.948 69.8-179.8-149.3 124.3 -1.7 -3.3 -12.9 71 71 A L E -D 63 0A 31 -8,-2.8 -8,-2.5 -2,-0.3 2,-0.4 -0.898 9.5-159.0-123.4 152.4 -5.0 -2.2 -11.2 72 72 A K E -D 62 0A 111 -2,-0.3 -10,-0.3 -10,-0.3 -2,-0.0 -0.972 6.4-173.8-137.1 121.6 -5.8 0.8 -8.9 73 73 A I E -D 61 0A 43 -12,-3.7 -12,-3.0 -2,-0.4 4,-0.2 -0.932 21.0-127.7-116.2 135.9 -8.7 1.1 -6.5 74 74 A P - 0 0 59 0, 0.0 3,-0.3 0, 0.0 -13,-0.2 0.166 52.7 -65.3 -65.7-171.3 -9.7 4.3 -4.6 75 75 A E S S+ 0 0 63 1,-0.3 2,-1.6 -15,-0.1 -17,-0.1 0.796 128.4 71.8 -48.3 -33.0 -10.2 4.6 -0.8 76 76 A N > + 0 0 113 1,-0.2 2,-1.1 -38,-0.1 3,-0.7 -0.262 59.0 147.8 -82.2 51.4 -13.2 2.3 -1.1 77 77 A A T 3 + 0 0 0 -2,-1.6 4,-0.4 -3,-0.3 -1,-0.2 -0.137 27.5 116.3 -81.0 43.3 -10.9 -0.7 -1.7 78 78 A N T 3 S+ 0 0 72 -2,-1.1 3,-0.5 -41,-0.2 4,-0.2 0.880 82.2 39.8 -76.5 -38.8 -13.4 -3.1 -0.0 79 79 A V S X> S+ 0 0 78 -3,-0.7 3,-0.8 1,-0.2 4,-0.7 0.538 91.0 94.5 -85.4 -8.6 -13.9 -5.0 -3.3 80 80 A F H >> S+ 0 0 1 1,-0.3 4,-3.5 2,-0.2 3,-1.1 0.863 82.2 54.1 -49.8 -41.6 -10.2 -4.8 -4.1 81 81 A Y H 3> S+ 0 0 20 -3,-0.5 4,-1.3 -4,-0.4 -1,-0.3 0.856 104.0 54.3 -63.8 -36.4 -9.7 -8.2 -2.5 82 82 A A H <4 S+ 0 0 83 -3,-0.8 -1,-0.3 -4,-0.2 -2,-0.2 0.557 120.6 32.7 -75.0 -8.0 -12.3 -9.8 -4.7 83 83 A M H << S+ 0 0 119 -3,-1.1 -2,-0.2 -4,-0.7 -3,-0.1 0.753 118.9 45.5-113.0 -47.4 -10.5 -8.5 -7.8 84 84 A N H >< S+ 0 0 0 -4,-3.5 2,-2.4 1,-0.2 3,-0.7 0.770 91.9 86.2 -70.9 -27.2 -6.8 -8.5 -7.0 85 85 A S T 3< + 0 0 57 -4,-1.3 -1,-0.2 -5,-0.4 4,-0.1 -0.424 57.4 105.5 -76.2 70.4 -6.9 -12.0 -5.4 86 86 A T T 3 S- 0 0 71 -2,-2.4 -1,-0.2 2,-0.5 -2,-0.1 0.727 100.9 -43.1-113.8 -43.4 -6.4 -13.8 -8.8 87 87 A A S < S+ 0 0 74 -3,-0.7 2,-0.1 1,-0.6 -2,-0.1 0.265 117.9 42.6-152.1 -65.7 -2.8 -15.1 -8.6 88 88 A N - 0 0 74 -4,-0.1 -1,-0.6 2,-0.1 -2,-0.5 -0.362 55.4-153.3 -89.6 172.0 -0.2 -12.6 -7.3 89 89 A Y + 0 0 27 -2,-0.1 -73,-2.4 -4,-0.1 2,-1.3 -0.092 43.9 134.8-139.1 37.2 -0.6 -10.3 -4.3 90 90 A D E +bC 16 64A 18 -26,-0.8 -26,-2.8 -75,-0.2 2,-0.3 -0.684 31.6 174.4 -91.5 85.7 1.8 -7.4 -5.0 91 91 A F E -bC 17 63A 0 -2,-1.3 -73,-0.8 -75,-0.6 2,-0.5 -0.742 24.4-138.1 -97.8 142.0 -0.3 -4.4 -4.1 92 92 A V E -bC 18 62A 19 -30,-1.1 -30,-2.6 -2,-0.3 2,-1.0 -0.863 4.7-152.1-101.8 126.1 0.9 -0.8 -4.1 93 93 A L E -bC 19 61A 0 -75,-1.8 -73,-0.5 -2,-0.5 2,-0.4 -0.772 21.5-176.2 -98.2 90.1 -0.1 1.5 -1.3 94 94 A K E - C 0 60A 53 -34,-1.3 -34,-3.9 -2,-1.0 2,-0.1 -0.761 20.7-129.2 -92.4 130.5 -0.0 4.9 -2.8 95 95 A K E - C 0 59A 18 -2,-0.4 2,-1.2 -36,-0.3 -36,-0.3 -0.472 31.5 -99.0 -77.2 147.3 -0.7 8.0 -0.6 96 96 A R 0 0 128 -38,-3.2 -1,-0.1 -2,-0.1 -37,-0.1 -0.512 360.0 360.0 -68.5 95.8 -3.3 10.5 -1.7 97 97 A T 0 0 156 -2,-1.2 -3,-0.0 0, 0.0 -39,-0.0 -0.953 360.0 360.0-126.0 360.0 -1.1 13.2 -3.2