==== 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 05-FEB-13 4J3E . COMPND 2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE MDM2; . SOURCE 2 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS; . AUTHOR B.J.GRAVES,C.M.LUKACS,R.U.KAMMLOTT,R.CROWTHER . 86 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5693.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 59 68.6 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 11.6 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 . 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 . 4 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 3.5 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 2 0 0 0 0 0 1 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 20 A M 0 0 231 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 164.9 29.0 22.2 27.2 2 21 A E - 0 0 92 24,-0.0 2,-0.2 25,-0.0 24,-0.0 -0.943 360.0-111.8-121.3 143.3 25.3 21.7 26.4 3 22 A K - 0 0 172 -2,-0.4 2,-0.6 1,-0.1 24,-0.4 -0.511 25.2-136.8 -72.9 136.4 23.8 20.3 23.3 4 23 A L - 0 0 103 -2,-0.2 22,-0.3 22,-0.1 2,-0.2 -0.851 25.4-162.7 -96.8 119.4 21.8 22.8 21.2 5 24 A V B -A 25 0A 16 20,-3.8 20,-2.1 -2,-0.6 79,-0.0 -0.573 14.1-133.4-105.9 166.0 18.6 21.2 20.0 6 25 A Q - 0 0 97 79,-0.3 79,-3.1 18,-0.2 18,-0.2 -0.869 16.9-144.3-128.2 95.8 16.2 22.2 17.3 7 26 A P B -B 84 0B 6 0, 0.0 77,-0.3 0, 0.0 74,-0.1 -0.292 22.3-118.7 -60.4 139.6 12.4 22.3 18.1 8 27 A T > - 0 0 35 75,-2.4 4,-2.7 1,-0.0 5,-0.3 -0.215 44.1 -81.3 -71.8 170.9 10.1 21.2 15.2 9 28 A P H > S+ 0 0 108 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.831 124.0 43.0 -51.1 -50.5 7.6 23.8 13.9 10 29 A L H > S+ 0 0 64 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.969 117.6 44.6 -62.8 -53.6 4.7 23.6 16.5 11 30 A L H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.923 113.3 52.4 -55.1 -45.8 7.0 23.5 19.6 12 31 A L H X S+ 0 0 31 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.884 106.0 54.6 -57.9 -38.7 9.1 26.3 18.2 13 32 A S H X S+ 0 0 58 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.2 0.881 108.6 47.7 -66.1 -37.2 5.9 28.4 17.6 14 33 A L H X S+ 0 0 9 -4,-1.8 4,-1.1 -3,-0.2 -1,-0.2 0.880 111.1 51.4 -70.0 -36.8 4.9 28.0 21.2 15 34 A L H <>S+ 0 0 0 -4,-2.1 5,-2.4 1,-0.2 3,-0.3 0.920 111.2 47.2 -65.6 -42.8 8.4 28.9 22.4 16 35 A K H ><5S+ 0 0 85 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.834 106.2 57.0 -70.5 -31.9 8.5 32.1 20.3 17 36 A S H 3<5S+ 0 0 81 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.787 105.2 54.3 -66.9 -25.1 5.0 33.1 21.4 18 37 A A T 3<5S- 0 0 27 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.511 136.4 -87.1 -84.2 -7.1 6.5 33.0 24.9 19 38 A G T < 5S+ 0 0 48 -3,-1.1 -3,-0.2 1,-0.3 -2,-0.1 0.310 76.6 147.6 121.7 -8.3 9.3 35.3 23.9 20 39 A A < - 0 0 4 -5,-2.4 -1,-0.3 -6,-0.1 10,-0.0 -0.284 24.2-171.6 -61.9 146.1 12.0 33.0 22.4 21 40 A Q + 0 0 170 -6,-0.0 2,-0.1 0, 0.0 -1,-0.1 0.559 53.6 56.6-118.8 -14.3 14.0 34.6 19.6 22 41 A K - 0 0 91 2,-0.1 3,-0.1 1,-0.1 -6,-0.0 -0.427 69.8-123.9-115.8-172.3 16.2 31.8 18.1 23 42 A E S S+ 0 0 103 1,-0.2 2,-0.4 -2,-0.1 -1,-0.1 0.601 89.4 50.7-111.0 -19.0 15.9 28.4 16.4 24 43 A T + 0 0 60 -18,-0.2 2,-0.3 -20,-0.0 -18,-0.2 -0.972 63.0 170.5-124.5 145.0 18.2 26.3 18.6 25 44 A F B -A 5 0A 0 -20,-2.1 -20,-3.8 -2,-0.4 2,-0.1 -0.943 36.2-108.5-142.5 156.3 18.2 26.0 22.4 26 45 A T > - 0 0 13 -2,-0.3 4,-2.3 -22,-0.3 5,-0.1 -0.478 44.8-107.6 -73.6 163.4 19.7 24.0 25.2 27 46 A M H > S+ 0 0 38 -24,-0.4 4,-2.7 1,-0.2 5,-0.2 0.876 123.2 57.4 -62.1 -35.1 17.1 21.7 26.9 28 47 A K H > S+ 0 0 138 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.889 107.9 46.7 -59.1 -41.1 17.2 24.1 29.9 29 48 A E H > S+ 0 0 64 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.888 110.5 51.9 -70.6 -40.0 16.2 26.9 27.5 30 49 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.967 112.6 45.6 -57.0 -53.4 13.4 24.9 25.9 31 50 A L H X S+ 0 0 49 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.893 111.1 53.1 -59.0 -42.6 12.0 24.0 29.3 32 51 A Y H X S+ 0 0 136 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.948 112.4 42.8 -60.3 -50.2 12.2 27.6 30.6 33 52 A H H X S+ 0 0 36 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.856 112.5 54.1 -65.6 -35.2 10.3 29.1 27.6 34 53 A L H X S+ 0 0 6 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.905 108.4 49.7 -66.4 -39.2 7.8 26.3 27.7 35 54 A G H X S+ 0 0 30 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.882 109.7 51.5 -64.0 -37.2 7.2 27.0 31.3 36 55 A Q H X S+ 0 0 78 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.891 107.9 52.3 -67.4 -39.2 6.8 30.7 30.4 37 56 A Y H X S+ 0 0 7 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.930 108.8 50.1 -58.2 -47.4 4.2 29.8 27.7 38 57 A I H X>S+ 0 0 15 -4,-2.2 5,-2.2 1,-0.2 4,-0.6 0.902 112.2 47.0 -61.6 -41.6 2.2 27.7 30.3 39 58 A M H ><5S+ 0 0 97 -4,-2.2 3,-0.8 3,-0.2 -1,-0.2 0.935 112.6 49.8 -63.3 -46.1 2.2 30.7 32.7 40 59 A A H 3<5S+ 0 0 78 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.872 114.8 42.9 -61.1 -40.0 1.2 33.1 30.0 41 60 A K H 3<5S- 0 0 97 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.513 105.6-129.6 -84.7 -6.0 -1.7 30.9 28.8 42 61 A Q T <<5 + 0 0 115 -3,-0.8 -3,-0.2 -4,-0.6 -4,-0.1 0.904 55.8 149.5 57.0 44.9 -2.7 30.2 32.4 43 62 A L < + 0 0 19 -5,-2.2 10,-3.2 -6,-0.1 -4,-0.1 0.620 35.7 102.4 -83.9 -13.3 -2.8 26.4 31.6 44 63 A Y B S-C 52 0C 56 -6,-0.5 8,-0.2 8,-0.2 2,-0.2 -0.358 84.6 -98.7 -72.6 152.5 -1.8 25.5 35.2 45 64 A D - 0 0 38 6,-2.8 6,-0.2 3,-0.5 -1,-0.1 -0.513 23.6-139.3 -72.6 133.9 -4.5 24.2 37.5 46 65 A E S S+ 0 0 142 -2,-0.2 3,-0.3 1,-0.2 -1,-0.1 0.877 99.7 32.5 -61.2 -39.5 -5.8 26.9 39.9 47 66 A K S S+ 0 0 158 1,-0.3 2,-0.6 2,-0.0 -1,-0.2 0.856 130.0 31.5 -92.6 -40.6 -5.9 24.5 42.9 48 67 A Q S > S- 0 0 118 1,-0.1 3,-2.2 3,-0.1 -3,-0.5 -0.845 75.2-171.2-117.5 93.0 -3.0 22.2 42.3 49 68 A Q T 3 S+ 0 0 135 -2,-0.6 -1,-0.1 1,-0.3 -3,-0.1 0.517 76.0 67.2 -75.6 -7.0 -0.6 24.5 40.4 50 69 A H T 3 S+ 0 0 59 -6,-0.1 20,-2.9 19,-0.1 2,-0.4 0.583 85.2 91.4 -80.9 -11.3 1.9 21.8 39.4 51 70 A I E < - D 0 69C 38 -3,-2.2 -6,-2.8 18,-0.2 2,-0.5 -0.713 65.7-154.7 -87.9 133.9 -0.8 20.3 37.1 52 71 A V E -CD 44 68C 2 16,-3.3 16,-1.6 -2,-0.4 2,-0.6 -0.941 3.1-149.7-114.2 125.4 -0.9 21.6 33.5 53 72 A H E + D 0 67C 63 -10,-3.2 14,-0.2 -2,-0.5 6,-0.1 -0.828 25.0 163.0 -96.1 121.5 -4.1 21.5 31.5 54 73 A C > + 0 0 1 12,-3.0 3,-2.0 -2,-0.6 6,-0.7 0.481 48.8 97.1-113.8 -9.6 -3.6 21.0 27.7 55 74 A S T 3 S+ 0 0 65 11,-0.9 -1,-0.1 1,-0.3 12,-0.1 0.712 92.5 38.5 -60.6 -23.5 -7.0 19.9 26.6 56 75 A N T 3 S+ 0 0 155 10,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.207 111.9 67.1-110.2 15.0 -8.1 23.4 25.5 57 76 A D S X S- 0 0 13 -3,-2.0 3,-2.3 1,-0.1 4,-0.5 -0.948 85.4-114.3-138.4 151.2 -4.7 24.5 24.1 58 77 A P T >> S+ 0 0 60 0, 0.0 4,-2.3 0, 0.0 3,-0.8 0.752 110.3 75.2 -57.3 -23.8 -2.4 23.6 21.1 59 78 A L H 3> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.4 0.839 87.9 63.3 -54.5 -30.5 0.1 22.4 23.6 60 79 A G H <>>S+ 0 0 11 -3,-2.3 4,-1.6 -6,-0.7 5,-0.8 0.875 105.2 41.9 -63.9 -38.2 -2.3 19.4 23.9 61 80 A E H <45S+ 0 0 140 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.2 0.936 113.2 54.7 -70.1 -48.0 -1.7 18.4 20.3 62 81 A L H <5S+ 0 0 12 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.1 0.937 119.5 29.5 -51.4 -59.8 2.0 19.0 20.5 63 82 A F H <5S- 0 0 4 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.893 101.6-129.7 -71.2 -41.7 2.6 16.8 23.5 64 83 A G T <5 + 0 0 61 -4,-1.6 2,-0.2 -5,-0.4 -3,-0.2 0.756 70.0 99.4 94.2 29.3 -0.2 14.4 22.8 65 84 A V < - 0 0 32 -5,-0.8 -1,-0.3 -6,-0.3 3,-0.1 -0.753 64.7-141.4-133.7 179.7 -1.7 14.5 26.3 66 85 A Q S S+ 0 0 131 1,-0.5 -12,-3.0 -2,-0.2 -11,-0.9 0.697 85.0 7.3-113.1 -43.7 -4.5 16.1 28.2 67 86 A E E +D 53 0C 77 -14,-0.2 -1,-0.5 -13,-0.2 2,-0.3 -0.991 59.4 171.0-136.7 150.2 -2.8 16.8 31.5 68 87 A F E -D 52 0C 7 -16,-1.6 -16,-3.3 -2,-0.3 2,-0.4 -0.978 26.7-127.3-147.6 156.5 0.7 16.5 33.0 69 88 A S E > -D 51 0C 10 -2,-0.3 3,-2.4 -18,-0.2 -18,-0.2 -0.837 19.7-129.5-100.8 140.6 2.4 17.5 36.2 70 89 A V T 3 S+ 0 0 69 -20,-2.9 -19,-0.1 -2,-0.4 -1,-0.1 0.501 108.0 71.1 -66.1 -0.7 5.6 19.6 36.2 71 90 A K T 3 S+ 0 0 149 -21,-0.3 2,-1.6 1,-0.2 -1,-0.3 0.647 77.1 82.4 -83.7 -17.9 6.8 16.9 38.6 72 91 A E <> + 0 0 77 -3,-2.4 4,-2.2 1,-0.2 5,-0.2 -0.533 53.2 160.2 -88.7 73.0 7.0 14.4 35.7 73 92 A H H > S+ 0 0 124 -2,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.847 70.5 51.1 -69.5 -35.2 10.3 15.4 34.4 74 93 A R H > S+ 0 0 225 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.898 111.9 48.3 -68.5 -38.8 11.0 12.2 32.4 75 94 A R H > S+ 0 0 78 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.913 112.6 48.2 -65.7 -42.3 7.6 12.5 30.7 76 95 A I H X S+ 0 0 17 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.904 111.0 50.2 -66.5 -41.7 8.2 16.1 29.9 77 96 A Y H X S+ 0 0 106 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.886 110.7 50.6 -61.2 -39.3 11.6 15.4 28.5 78 97 A A H X S+ 0 0 41 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.914 108.3 51.4 -66.2 -41.8 10.2 12.6 26.4 79 98 A M H < S+ 0 0 2 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.889 112.3 47.3 -63.9 -37.8 7.4 14.8 25.0 80 99 A I H >< S+ 0 0 0 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.916 106.7 55.8 -67.4 -43.5 10.1 17.4 24.0 81 100 A S H >< S+ 0 0 66 -4,-2.4 3,-1.1 1,-0.3 -1,-0.2 0.814 100.5 59.7 -62.9 -29.7 12.4 14.9 22.4 82 101 A R T 3< S+ 0 0 141 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.670 106.5 51.3 -67.1 -15.7 9.5 13.8 20.1 83 102 A N T < S+ 0 0 23 -3,-2.0 -75,-2.4 -4,-0.3 2,-0.4 -0.128 88.1 97.0-120.2 36.1 9.4 17.4 18.9 84 103 A L B < S-B 7 0B 29 -3,-1.1 2,-0.3 -77,-0.3 -79,-0.0 -0.945 83.1-102.9-117.3 145.1 13.1 18.0 18.0 85 104 A V 0 0 72 -79,-3.1 -79,-0.3 -2,-0.4 -2,-0.1 -0.525 360.0 360.0 -61.5 123.3 14.5 17.7 14.5 86 105 A S 0 0 179 -2,-0.3 -1,-0.0 -4,-0.1 -4,-0.0 -0.321 360.0 360.0 -91.9 360.0 16.3 14.4 14.4