==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/ANTAGONIST 09-JAN-13 4IPF . COMPND 2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE MDM2; . SOURCE 2 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS; . AUTHOR B.J.GRAVES,C.LUKACS,R.U.KAMMLOTT,R.CROWTHER . 85 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5629.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 58 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 11.8 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 1.2 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 . 6 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.4 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 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 21 A E 0 0 202 0, 0.0 2,-0.4 0, 0.0 24,-0.0 0.000 360.0 360.0 360.0 150.4 -4.4 12.3 26.0 2 22 A K - 0 0 171 1,-0.0 2,-0.7 0, 0.0 24,-0.4 -0.622 360.0-142.3 -81.7 131.5 -2.4 13.6 23.1 3 23 A L - 0 0 96 -2,-0.4 22,-0.3 22,-0.1 2,-0.2 -0.842 20.4-158.5 -95.3 118.1 -0.3 11.1 21.2 4 24 A V B -A 24 0A 17 20,-3.6 20,-2.2 -2,-0.7 81,-0.1 -0.561 10.5-134.9 -95.9 162.6 3.0 12.7 20.1 5 25 A Q - 0 0 86 79,-0.3 79,-3.0 18,-0.2 18,-0.2 -0.864 16.0-144.1-123.9 96.8 5.3 11.6 17.3 6 26 A P B -B 83 0B 6 0, 0.0 77,-0.3 0, 0.0 74,-0.1 -0.266 21.6-120.4 -58.6 139.0 9.1 11.4 18.0 7 27 A T > - 0 0 35 75,-2.2 4,-2.9 4,-0.1 5,-0.3 -0.226 43.3 -79.0 -72.7 169.9 11.4 12.4 15.2 8 28 A P H > S+ 0 0 112 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.827 124.9 40.5 -36.5 -63.4 14.0 9.9 13.8 9 29 A L H > S+ 0 0 66 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.955 118.4 45.7 -59.5 -52.8 16.8 10.1 16.4 10 30 A L H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.927 112.8 51.3 -56.8 -46.1 14.6 10.3 19.5 11 31 A L H X S+ 0 0 29 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.898 105.8 55.9 -58.3 -41.6 12.4 7.4 18.2 12 32 A S H X S+ 0 0 72 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.882 108.2 47.9 -58.3 -40.3 15.5 5.3 17.6 13 33 A L H X S+ 0 0 9 -4,-1.7 4,-1.2 -3,-0.3 -1,-0.2 0.882 111.0 50.7 -69.7 -38.7 16.5 5.7 21.2 14 34 A L H <>S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 3,-0.3 0.921 111.2 47.9 -65.5 -43.7 13.0 4.9 22.5 15 35 A K H ><5S+ 0 0 96 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.856 106.0 57.4 -66.6 -33.6 12.8 1.7 20.4 16 36 A S H 3<5S+ 0 0 69 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.830 107.0 50.7 -65.3 -28.5 16.3 0.6 21.6 17 37 A A T 3<5S- 0 0 26 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.468 137.4 -81.6 -86.9 -3.3 14.9 0.8 25.1 18 38 A G T < 5S+ 0 0 44 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.331 77.8 145.3 123.9 -9.9 11.9 -1.3 24.2 19 39 A A < - 0 0 6 -5,-2.5 -1,-0.3 -6,-0.1 10,-0.0 -0.350 23.9-173.1 -61.9 141.1 9.3 1.0 22.6 20 40 A Q + 0 0 186 -2,-0.0 2,-0.2 0, 0.0 -1,-0.1 0.119 54.7 55.4-125.6 21.7 7.3 -0.7 19.9 21 41 A K S S- 0 0 92 1,-0.1 3,-0.1 0, 0.0 -6,-0.0 -0.833 70.8-123.4-142.2-179.4 5.2 2.0 18.2 22 42 A E S S+ 0 0 124 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 0.623 90.6 48.3-103.8 -19.6 5.5 5.4 16.5 23 43 A T + 0 0 59 -18,-0.2 2,-0.3 -20,-0.0 -18,-0.2 -0.963 62.8 166.3-126.2 144.8 3.2 7.5 18.6 24 44 A F B -A 4 0A 0 -20,-2.2 -20,-3.6 -2,-0.4 2,-0.2 -0.937 39.2-103.3-147.2 166.8 3.1 7.9 22.4 25 45 A T > - 0 0 14 -2,-0.3 4,-2.3 -22,-0.3 3,-0.3 -0.545 46.7-107.6 -84.3 162.5 1.7 10.0 25.2 26 46 A M H > S+ 0 0 33 -24,-0.4 4,-2.6 1,-0.2 5,-0.2 0.872 122.2 58.9 -60.6 -33.8 4.3 12.2 26.7 27 47 A K H > S+ 0 0 164 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.898 107.3 45.8 -60.8 -40.8 4.3 9.9 29.8 28 48 A E H > S+ 0 0 61 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.907 110.6 52.5 -69.0 -42.6 5.3 7.0 27.6 29 49 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.954 113.0 45.1 -56.7 -50.2 8.0 8.9 25.8 30 50 A L H X S+ 0 0 44 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.888 110.5 53.5 -62.2 -41.7 9.5 9.9 29.1 31 51 A Y H X S+ 0 0 135 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.944 111.8 45.2 -59.0 -48.7 9.3 6.4 30.5 32 52 A H H X S+ 0 0 29 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.863 110.9 52.5 -64.9 -35.9 11.1 5.0 27.5 33 53 A L H X S+ 0 0 6 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.904 108.8 51.6 -66.9 -37.8 13.8 7.7 27.6 34 54 A G H X S+ 0 0 28 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.918 108.8 50.3 -62.5 -42.9 14.3 6.9 31.3 35 55 A Q H X S+ 0 0 78 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.880 108.5 52.9 -62.1 -38.0 14.7 3.2 30.4 36 56 A Y H X S+ 0 0 5 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.930 108.2 50.5 -61.7 -46.6 17.2 4.2 27.7 37 57 A I H <>S+ 0 0 12 -4,-2.4 5,-2.2 1,-0.2 6,-0.5 0.892 112.9 45.3 -60.1 -41.6 19.2 6.1 30.3 38 58 A M H ><5S+ 0 0 95 -4,-2.1 3,-0.8 3,-0.2 -1,-0.2 0.923 113.4 50.5 -68.4 -43.3 19.3 3.2 32.7 39 59 A A H 3<5S+ 0 0 71 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.879 115.2 41.9 -61.4 -40.9 20.2 0.8 29.9 40 60 A K T 3<5S- 0 0 86 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.449 105.9-128.8 -86.1 -2.4 23.1 2.9 28.7 41 61 A Q T < 5 + 0 0 115 -3,-0.8 -3,-0.2 -4,-0.4 -4,-0.1 0.889 56.2 149.5 54.4 43.8 24.2 3.7 32.2 42 62 A L < + 0 0 20 -5,-2.2 10,-3.0 -6,-0.2 -4,-0.1 0.663 35.7 100.6 -80.8 -17.1 24.2 7.4 31.5 43 63 A Y B S-C 51 0C 53 -6,-0.5 8,-0.2 8,-0.2 2,-0.2 -0.354 85.1 -98.5 -70.7 151.0 23.3 8.4 35.0 44 64 A D - 0 0 38 6,-2.7 6,-0.1 3,-0.6 -1,-0.1 -0.458 23.2-136.7 -69.5 136.5 26.1 9.6 37.3 45 65 A E S S+ 0 0 142 1,-0.2 3,-0.3 -2,-0.2 -1,-0.1 0.877 101.4 30.3 -62.0 -40.3 27.4 7.0 39.8 46 66 A K S S+ 0 0 168 1,-0.3 2,-0.6 2,-0.0 -1,-0.2 0.819 130.1 34.4 -89.5 -38.4 27.5 9.4 42.8 47 67 A Q S > S- 0 0 118 1,-0.1 3,-2.2 3,-0.1 -3,-0.6 -0.802 73.6-173.3-120.3 84.8 24.6 11.7 42.0 48 68 A Q T 3 S+ 0 0 135 -2,-0.6 -1,-0.1 -3,-0.3 -3,-0.1 0.535 75.9 66.5 -59.4 -11.7 22.2 9.4 40.3 49 69 A H T 3 S+ 0 0 64 -6,-0.1 20,-2.7 19,-0.1 2,-0.4 0.645 84.9 90.9 -84.2 -13.3 19.8 12.1 39.2 50 70 A I E < - D 0 68C 37 -3,-2.2 -6,-2.7 18,-0.2 2,-0.5 -0.670 65.9-155.0 -85.4 131.7 22.4 13.6 36.9 51 71 A V E -CD 43 67C 1 16,-3.2 16,-1.6 -2,-0.4 2,-0.5 -0.939 4.3-148.6-111.9 122.7 22.4 12.2 33.3 52 72 A H E + D 0 66C 63 -10,-3.0 14,-0.2 -2,-0.5 6,-0.1 -0.792 25.7 163.1 -91.6 122.9 25.6 12.4 31.3 53 73 A C > + 0 0 0 12,-2.3 3,-1.7 -2,-0.5 6,-0.7 0.484 49.1 95.9-116.6 -7.3 25.1 12.8 27.6 54 74 A S T 3 S+ 0 0 61 11,-0.5 -1,-0.1 1,-0.3 12,-0.1 0.734 93.9 38.4 -58.4 -24.7 28.6 13.9 26.4 55 75 A N T 3 S+ 0 0 157 10,-0.1 -1,-0.3 -13,-0.1 -2,-0.1 0.263 111.4 68.7-110.5 13.4 29.6 10.4 25.4 56 76 A D S X S- 0 0 27 -3,-1.7 3,-2.3 1,-0.1 4,-0.3 -0.925 85.7-114.5-133.0 154.1 26.2 9.3 24.0 57 77 A P G > S+ 0 0 68 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.738 110.3 75.1 -58.0 -21.1 24.0 10.1 20.9 58 78 A L G > S+ 0 0 0 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.821 81.3 71.7 -59.9 -28.1 21.5 11.5 23.4 59 79 A G G X S+ 0 0 4 -3,-2.3 3,-1.1 -6,-0.7 -1,-0.3 0.742 82.0 69.6 -59.6 -23.8 23.9 14.5 23.7 60 80 A E G < S+ 0 0 161 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.721 95.8 54.8 -66.9 -20.6 22.9 15.6 20.2 61 81 A L G < S+ 0 0 9 -3,-1.9 2,-0.3 -4,-0.3 -1,-0.2 0.512 103.6 62.9 -91.9 -5.8 19.5 16.6 21.6 62 82 A F < - 0 0 14 -3,-1.1 3,-0.1 -4,-0.3 5,-0.0 -0.899 59.5-154.9-122.5 149.9 20.8 18.9 24.4 63 83 A G S S+ 0 0 73 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.947 94.7 48.9 -80.0 -60.5 22.8 22.1 24.4 64 84 A V S S- 0 0 87 1,-0.1 -1,-0.2 2,-0.1 0, 0.0 -0.701 86.4-141.2 -80.1 124.0 24.2 21.5 27.9 65 85 A Q S S+ 0 0 58 -2,-0.5 -12,-2.3 -3,-0.1 -11,-0.5 0.510 81.7 57.2 -67.7 -7.0 25.6 18.0 28.0 66 86 A E E +D 52 0C 79 -14,-0.2 2,-0.3 -13,-0.1 -14,-0.2 -0.991 61.4 169.1-127.9 132.2 24.4 17.2 31.5 67 87 A F E -D 51 0C 4 -16,-1.6 -16,-3.2 -2,-0.4 2,-0.3 -0.958 27.9-125.5-137.8 156.9 20.8 17.4 32.8 68 88 A S E > -D 50 0C 11 -2,-0.3 3,-1.8 -18,-0.2 -18,-0.2 -0.805 16.7-131.4-101.8 144.8 19.1 16.4 35.9 69 89 A V T 3 S+ 0 0 67 -20,-2.7 -19,-0.1 -2,-0.3 -1,-0.1 0.629 108.6 67.0 -67.9 -9.0 16.0 14.1 35.9 70 90 A K T 3 S+ 0 0 152 -21,-0.2 2,-1.7 1,-0.2 -1,-0.3 0.633 78.0 85.7 -82.6 -16.4 14.6 16.8 38.3 71 91 A E <> + 0 0 76 -3,-1.8 4,-2.4 1,-0.2 5,-0.2 -0.482 51.6 160.3 -85.8 68.0 14.6 19.4 35.5 72 92 A H H > S+ 0 0 125 -2,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.851 70.3 50.4 -60.7 -39.5 11.2 18.4 34.1 73 93 A R H > S+ 0 0 230 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.920 112.7 47.9 -66.6 -39.9 10.5 21.6 32.3 74 94 A R H > S+ 0 0 67 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.911 112.5 48.7 -65.2 -42.1 13.9 21.5 30.6 75 95 A I H X S+ 0 0 16 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.891 110.1 51.1 -65.6 -40.0 13.4 17.8 29.6 76 96 A Y H X S+ 0 0 101 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.881 108.1 54.0 -64.4 -36.1 10.0 18.6 28.2 77 97 A A H X S+ 0 0 45 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.925 107.7 49.5 -63.7 -43.7 11.5 21.4 26.2 78 98 A M H < S+ 0 0 0 -4,-2.0 4,-0.4 1,-0.2 3,-0.4 0.919 111.4 48.6 -61.4 -45.2 14.1 19.0 24.7 79 99 A I H >< S+ 0 0 0 -4,-2.2 3,-2.0 1,-0.2 -1,-0.2 0.918 105.4 58.2 -62.4 -42.6 11.5 16.4 23.7 80 100 A S H >< S+ 0 0 69 -4,-2.3 3,-1.0 1,-0.3 -1,-0.2 0.816 100.7 56.3 -57.2 -32.6 9.3 19.1 22.1 81 101 A R T 3< S+ 0 0 148 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.632 108.8 50.9 -73.9 -12.2 12.2 20.0 19.8 82 102 A N T < S+ 0 0 26 -3,-2.0 -75,-2.2 -4,-0.4 2,-0.4 -0.147 89.4 95.7-119.0 37.7 12.1 16.3 18.7 83 103 A L B < S-B 6 0B 27 -3,-1.0 2,-0.5 -77,-0.3 -79,-0.0 -0.959 81.7-106.0-125.7 144.5 8.5 15.8 17.9 84 104 A V 0 0 71 -79,-3.0 -79,-0.3 -2,-0.4 -2,-0.1 -0.585 360.0 360.0 -70.7 120.7 6.8 16.0 14.5 85 105 A S 0 0 178 -2,-0.5 -1,-0.2 -81,-0.1 -3,-0.0 0.929 360.0 360.0 -88.0 360.0 4.9 19.3 14.4