==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SRC HOMOLOGY 2 DOMAIN 05-AUG-96 1GHU . COMPND 2 MOLECULE: GRB2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.H.THORNTON,W.T.MUELLER,P.MCCONNELL,G.ZHU,A.R.SALTIEL, . 95 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5868.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 63 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 18.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 . 19 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 15.8 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 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 0 1 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 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 58 A G 0 0 66 0, 0.0 2,-0.7 0, 0.0 93,-0.1 0.000 360.0 360.0 360.0 105.1 -10.7 -2.5 8.2 2 59 A S - 0 0 100 1,-0.1 93,-0.0 93,-0.1 0, 0.0 -0.681 360.0-173.9 -82.6 110.2 -10.3 1.1 6.9 3 60 A W + 0 0 37 -2,-0.7 25,-1.0 24,-0.1 2,-0.5 0.807 54.2 85.2 -76.0 -36.2 -7.1 1.2 4.7 4 61 A F B +a 28 0A 103 23,-0.2 2,-0.5 25,-0.0 25,-0.1 -0.618 44.9 174.0 -81.3 121.8 -6.7 5.0 3.8 5 62 A F - 0 0 85 23,-1.4 3,-0.4 -2,-0.5 25,-0.4 -0.962 26.9-142.0-124.3 106.4 -4.8 7.1 6.5 6 63 A G S S- 0 0 38 -2,-0.5 24,-0.9 1,-0.2 2,-0.2 0.790 71.2 -18.0 -39.2 -67.6 -4.4 10.6 4.9 7 64 A K S S+ 0 0 101 22,-0.2 -1,-0.2 25,-0.0 24,-0.1 -0.727 80.5 146.1-151.6 91.7 -0.9 11.9 6.0 8 65 A I - 0 0 45 -3,-0.4 24,-0.1 -2,-0.2 -3,-0.1 -0.899 50.2 -82.5-123.5 157.3 0.7 10.1 9.1 9 66 A P > - 0 0 58 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 -0.021 28.0-121.8 -54.7 159.3 4.6 9.2 9.9 10 67 A R H > S+ 0 0 148 2,-0.2 4,-1.8 1,-0.1 5,-0.1 0.865 114.1 50.2 -65.9 -40.0 6.6 6.3 8.5 11 68 A A H > S+ 0 0 58 2,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.904 109.8 49.4 -66.7 -44.2 7.4 5.0 12.1 12 69 A K H > S+ 0 0 115 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.859 110.5 51.7 -61.0 -38.1 3.6 5.2 13.2 13 70 A A H X S+ 0 0 1 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.915 110.8 47.4 -61.9 -45.3 2.6 3.2 10.0 14 71 A E H X S+ 0 0 85 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.879 111.3 51.8 -60.9 -42.7 5.3 0.4 10.8 15 72 A E H X S+ 0 0 92 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.931 112.5 43.6 -59.6 -51.3 4.1 0.2 14.6 16 73 A M H X S+ 0 0 87 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.903 116.4 45.6 -63.2 -46.0 0.3 -0.3 13.7 17 74 A L H < S+ 0 0 0 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.885 109.2 54.1 -70.0 -41.1 0.8 -2.9 10.8 18 75 A S H < S+ 0 0 62 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.835 108.0 52.3 -58.8 -35.0 3.4 -5.1 12.8 19 76 A K H < S+ 0 0 163 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.849 91.0 102.6 -64.3 -38.3 0.8 -5.3 15.7 20 77 A Q < - 0 0 38 -4,-1.2 5,-0.1 -3,-0.1 74,-0.0 -0.154 68.3-141.7 -53.5 137.1 -2.0 -6.6 13.2 21 78 A R S S+ 0 0 187 2,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.650 70.5 94.9 -67.0 -22.8 -3.0 -10.3 13.1 22 79 A H S > S- 0 0 58 71,-0.1 3,-1.1 -5,-0.1 2,-0.4 -0.566 72.1-129.4 -89.3 138.0 -3.5 -10.4 9.2 23 80 A D T 3 S+ 0 0 110 -2,-0.3 21,-0.1 1,-0.2 67,-0.1 -0.711 102.2 25.3 -78.0 124.6 -0.9 -11.5 6.5 24 81 A G T 3 S+ 0 0 1 19,-1.2 68,-2.2 -2,-0.4 -1,-0.2 0.551 84.4 169.2 92.6 11.9 -0.9 -8.7 3.9 25 82 A A B < +d 92 0B 0 -3,-1.1 18,-2.3 66,-0.2 2,-0.3 -0.413 14.6 173.3 -71.3 123.5 -2.1 -5.9 6.4 26 83 A F E - B 0 42A 0 66,-1.2 68,-0.4 16,-0.2 2,-0.3 -0.880 32.3-172.4-135.7 160.9 -1.8 -2.4 4.8 27 84 A L E - B 0 41A 6 14,-2.3 14,-2.2 -2,-0.3 2,-0.7 -0.984 24.4-135.1-144.1 141.8 -2.4 1.4 4.8 28 85 A I E -aB 4 40A 0 -25,-1.0 -23,-1.4 -2,-0.3 2,-0.3 -0.883 32.6-176.8 -97.6 112.5 -1.7 4.0 2.0 29 86 A R E - B 0 39A 17 10,-2.0 10,-1.9 -2,-0.7 2,-0.4 -0.796 25.4-123.9-105.0 150.4 0.0 7.1 3.6 30 87 A E E - B 0 38A 36 -24,-0.9 8,-0.2 -25,-0.4 -22,-0.2 -0.774 40.2-101.9 -89.7 138.3 1.1 10.4 2.0 31 88 A S - 0 0 32 6,-2.7 2,-0.6 -2,-0.4 3,-0.4 -0.327 41.2-101.4 -64.1 137.2 4.8 11.3 2.4 32 89 A E S S+ 0 0 85 1,-0.2 -1,-0.1 -24,-0.1 -25,-0.0 -0.508 104.2 1.1 -76.1 109.6 5.6 13.9 5.2 33 90 A S S S+ 0 0 114 -2,-0.6 -1,-0.2 1,-0.1 -2,-0.1 -0.200 110.6 94.8 103.4 -34.1 6.2 17.3 3.5 34 91 A A > - 0 0 35 -3,-0.4 3,-0.9 3,-0.1 2,-0.3 -0.807 67.5-144.1 -93.1 112.6 5.6 16.2 -0.2 35 92 A P T 3 S+ 0 0 105 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.577 83.4 10.6 -81.5 134.5 1.8 16.8 -1.4 36 93 A G T 3 S+ 0 0 17 -2,-0.3 2,-0.5 1,-0.1 19,-0.1 0.802 93.8 122.1 66.7 33.5 0.4 14.1 -3.8 37 94 A D < - 0 0 76 -3,-0.9 -6,-2.7 -6,-0.2 -3,-0.1 -0.875 44.5-172.3-126.5 92.0 3.5 11.7 -3.1 38 95 A F E -BC 30 53A 16 15,-1.1 15,-1.8 -2,-0.5 2,-0.3 -0.380 15.6-163.5 -93.2 163.4 1.9 8.4 -1.8 39 96 A S E -BC 29 52A 14 -10,-1.9 -10,-2.0 13,-0.2 2,-1.0 -0.929 17.8-137.8-147.7 120.7 3.5 5.2 -0.3 40 97 A L E -BC 28 51A 0 11,-2.3 11,-2.2 -2,-0.3 2,-0.7 -0.708 17.7-161.7 -79.6 103.9 1.7 1.7 0.1 41 98 A S E +BC 27 50A 0 -14,-2.2 -14,-2.3 -2,-1.0 2,-0.4 -0.812 23.5 168.6 -84.9 108.2 2.9 0.5 3.6 42 99 A V E -BC 26 49A 0 7,-1.7 7,-2.5 -2,-0.7 2,-0.6 -0.987 35.8-131.4-135.2 126.5 2.1 -3.3 3.3 43 100 A K E - C 0 48A 20 -18,-2.3 -19,-1.2 -2,-0.4 2,-0.5 -0.642 26.5-179.5 -75.7 112.2 3.1 -6.2 5.7 44 101 A F E > S- C 0 47A 14 3,-2.0 2,-1.1 -2,-0.6 3,-0.8 -0.950 71.6 -31.6-117.8 106.8 4.6 -9.1 3.6 45 102 A G T 3 S- 0 0 65 -2,-0.5 -21,-0.1 1,-0.2 -2,-0.1 -0.754 127.0 -37.0 85.5 -95.8 5.6 -12.0 5.9 46 103 A N T 3 S+ 0 0 114 -2,-1.1 2,-0.3 -23,-0.1 -1,-0.2 0.512 118.7 86.3-127.6 -24.2 6.7 -10.0 9.0 47 104 A D E < S-C 44 0A 117 -3,-0.8 -3,-2.0 1,-0.0 2,-0.7 -0.647 74.1-127.8 -89.2 139.1 8.3 -6.7 7.6 48 105 A V E -C 43 0A 18 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.757 29.6-159.6 -87.8 110.9 6.3 -3.6 6.7 49 106 A Q E -C 42 0A 70 -7,-2.5 -7,-1.7 -2,-0.7 2,-0.9 -0.858 7.2-150.3-106.9 120.6 7.5 -2.8 3.1 50 107 A H E -C 41 0A 37 -2,-0.5 2,-0.5 -9,-0.2 -9,-0.2 -0.776 13.1-170.1 -99.6 97.7 6.9 0.8 1.7 51 108 A F E -C 40 0A 59 -11,-2.2 -11,-2.3 -2,-0.9 2,-0.4 -0.795 28.0-117.4 -93.1 125.0 6.4 0.6 -2.1 52 109 A K E -C 39 0A 143 -2,-0.5 2,-1.0 -13,-0.2 -13,-0.2 -0.470 18.1-153.8 -75.6 119.8 6.4 4.2 -3.7 53 110 A V E -C 38 0A 2 -15,-1.8 -15,-1.1 -2,-0.4 10,-0.2 -0.802 19.5-169.2 -93.8 97.9 3.2 5.2 -5.4 54 111 A L B -E 62 0C 73 8,-1.9 8,-2.8 -2,-1.0 2,-0.4 -0.530 13.7-130.9 -85.6 154.8 4.3 7.8 -8.1 55 112 A R - 0 0 101 6,-0.2 2,-0.7 -2,-0.2 6,-0.2 -0.932 9.1-158.0-115.9 129.4 1.8 10.0 -10.0 56 113 A D - 0 0 65 -2,-0.4 2,-0.7 4,-0.0 3,-0.1 -0.832 61.7 -55.1-106.2 94.1 1.7 10.6 -13.9 57 114 A G S S- 0 0 81 -2,-0.7 3,-0.1 1,-0.1 -2,-0.0 -0.693 110.1 -2.8 89.0-112.8 -0.1 13.8 -14.8 58 115 A A S S- 0 0 87 -2,-0.7 2,-0.6 1,-0.1 -1,-0.1 0.902 128.9 -10.8 -89.0 -94.2 -3.7 14.4 -13.5 59 116 A G S S+ 0 0 27 -3,-0.1 2,-0.3 -4,-0.0 -1,-0.1 -0.750 94.3 123.5-113.7 80.3 -5.4 11.5 -11.5 60 117 A K - 0 0 68 -2,-0.6 2,-0.4 -3,-0.1 9,-0.2 -0.980 37.7-167.1-142.5 146.6 -3.0 8.5 -12.0 61 118 A Y B +F 68 0D 29 7,-1.0 7,-1.2 -2,-0.3 2,-0.4 -0.930 10.5 174.6-145.8 108.4 -1.2 6.2 -9.4 62 119 A F B +E 54 0C 65 -8,-2.8 -8,-1.9 -2,-0.4 5,-0.1 -0.970 19.2 145.0-126.7 117.8 1.7 3.8 -10.6 63 120 A L S S+ 0 0 33 -2,-0.4 -11,-0.1 3,-0.3 -1,-0.1 0.710 80.8 27.5-107.9 -42.8 3.9 1.7 -8.2 64 121 A W S S- 0 0 87 2,-0.3 3,-0.1 -13,-0.1 -2,-0.1 0.955 121.6 -68.8 -92.0 -74.1 4.5 -1.6 -10.1 65 122 A V S S+ 0 0 106 1,-0.4 2,-0.2 0, 0.0 -3,-0.0 0.264 107.9 61.0-147.2 -65.0 4.4 -0.9 -14.0 66 123 A V S S- 0 0 76 1,-0.1 -1,-0.4 -4,-0.0 -3,-0.3 -0.485 82.7-113.5 -79.6 142.2 0.8 -0.1 -15.3 67 124 A K - 0 0 123 -2,-0.2 2,-0.4 -5,-0.1 -5,-0.2 -0.351 19.3-151.6 -79.9 154.6 -1.0 3.1 -14.0 68 125 A F B -F 61 0D 11 -7,-1.2 -7,-1.0 1,-0.1 6,-0.1 -0.986 8.9-146.0-133.7 116.4 -4.3 3.0 -11.9 69 126 A N S S+ 0 0 93 -2,-0.4 2,-0.2 -9,-0.2 -1,-0.1 0.879 82.2 25.9 -55.7 -50.6 -6.8 6.0 -12.0 70 127 A S S > S- 0 0 57 -9,-0.1 4,-1.5 1,-0.1 -9,-0.1 -0.736 77.8-120.5-106.6 161.6 -8.0 5.9 -8.3 71 128 A L H > S+ 0 0 18 -2,-0.2 4,-1.6 2,-0.2 5,-0.1 0.791 116.7 56.9 -67.2 -29.1 -6.2 4.6 -5.1 72 129 A N H > S+ 0 0 98 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.878 105.1 51.2 -67.1 -39.7 -9.2 2.1 -4.6 73 130 A E H > S+ 0 0 102 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.878 107.9 52.7 -60.5 -41.5 -8.4 0.6 -8.2 74 131 A L H X S+ 0 0 0 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.905 113.3 44.7 -57.0 -45.6 -4.7 0.2 -7.1 75 132 A V H X S+ 0 0 0 -4,-1.6 4,-1.2 2,-0.2 16,-0.2 0.973 113.9 46.4 -60.0 -61.8 -5.9 -1.8 -4.0 76 133 A D H < S+ 0 0 100 -4,-2.5 4,-0.4 2,-0.2 -2,-0.2 0.752 110.2 54.2 -63.2 -28.4 -8.5 -4.1 -5.7 77 134 A Y H >X S+ 0 0 77 -4,-1.8 4,-2.0 -5,-0.2 3,-1.3 0.985 114.2 39.1 -63.1 -61.7 -6.1 -5.0 -8.7 78 135 A H H 3< S+ 0 0 0 -4,-1.4 13,-0.7 1,-0.2 5,-0.2 0.541 97.0 79.9 -70.1 -8.9 -3.2 -6.3 -6.3 79 136 A R T 3< S+ 0 0 66 -4,-1.2 -1,-0.2 11,-0.2 -2,-0.1 0.780 116.9 16.5 -61.9 -28.8 -5.8 -7.9 -3.9 80 137 A S T <4 S+ 0 0 93 -3,-1.3 2,-0.3 -4,-0.4 -2,-0.2 0.637 124.9 64.6-110.4 -31.9 -5.8 -10.8 -6.6 81 138 A T S < S- 0 0 37 -4,-2.0 2,-0.3 -5,-0.1 -1,-0.0 -0.687 90.2-107.4 -90.6 149.4 -2.5 -10.0 -8.6 82 139 A S - 0 0 1 -2,-0.3 8,-0.2 1,-0.1 3,-0.1 -0.566 19.5-166.2 -81.0 137.3 1.0 -10.2 -7.0 83 140 A V S S+ 0 0 10 6,-1.4 2,-0.6 -2,-0.3 -1,-0.1 0.946 85.5 50.8 -75.1 -58.8 3.1 -7.1 -6.1 84 141 A S S S- 0 0 39 5,-0.3 2,-1.5 3,-0.2 5,-0.3 -0.769 87.1-140.5 -89.7 115.0 6.4 -9.0 -5.5 85 142 A R S S+ 0 0 161 -2,-0.6 3,-0.1 1,-0.1 -1,-0.1 -0.546 83.2 53.8 -89.2 81.5 7.0 -11.3 -8.6 86 143 A N S S+ 0 0 161 -2,-1.5 2,-0.3 1,-0.5 -1,-0.1 -0.098 114.7 21.2-160.3 -77.7 8.4 -14.6 -7.2 87 144 A Q S S- 0 0 148 -3,-0.0 2,-0.6 1,-0.0 -1,-0.5 -0.798 94.8-104.3 -97.1 146.6 5.9 -15.9 -4.5 88 145 A Q + 0 0 149 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.1 -0.608 44.9 174.2 -79.4 112.3 2.3 -14.5 -4.7 89 146 A I - 0 0 44 -2,-0.6 -6,-1.4 -5,-0.3 -5,-0.3 -0.986 9.8-169.1-124.2 127.1 1.7 -11.8 -1.9 90 147 A F - 0 0 45 -2,-0.4 2,-0.6 -8,-0.2 -11,-0.2 -0.618 27.8 -96.6-119.9 168.3 -1.6 -9.8 -1.8 91 148 A L + 0 0 0 -13,-0.7 2,-0.3 -16,-0.2 -66,-0.2 -0.782 41.7 179.4 -90.4 115.3 -3.3 -6.8 -0.1 92 149 A R B -d 25 0B 77 -68,-2.2 -66,-1.2 -2,-0.6 -70,-0.1 -0.898 29.8-104.1-117.2 147.7 -5.5 -7.7 3.0 93 150 A D - 0 0 57 -2,-0.3 -91,-0.1 -68,-0.2 -71,-0.1 -0.297 36.3-107.9 -74.1 152.2 -7.5 -5.3 5.3 94 151 A I 0 0 24 -68,-0.4 -1,-0.1 1,-0.1 -77,-0.1 -0.176 360.0 360.0 -72.9 164.4 -6.4 -4.2 8.9 95 152 A E 0 0 129 -94,-0.1 -93,-0.1 -73,-0.1 -1,-0.1 0.884 360.0 360.0 -87.2 360.0 -7.9 -5.2 12.3