==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/LIGASE INHIBITOR 22-MAR-13 4JSC . COMPND 2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE MDM2; . SOURCE 2 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS; . AUTHOR C.A.JANSON,C.LUKACS,B.GRAVES . 166 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10550.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 72.9 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 . 22 13.3 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 . 0 0.0 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 . 1 0.6 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 . 7 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 4.8 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 1 2 0 0 0 4 0 0 0 0 1 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 . 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 22 A K 0 0 247 0, 0.0 24,-0.3 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 121.2 -20.3 6.1 13.7 2 23 A L - 0 0 111 22,-0.1 2,-0.3 1,-0.1 22,-0.2 -0.316 360.0-131.2 -76.6 150.0 -17.3 4.9 11.7 3 24 A V B -A 23 0A 24 20,-3.2 20,-2.7 -2,-0.0 -1,-0.1 -0.762 8.5-151.6 -97.0 150.1 -17.2 4.2 8.0 4 25 A Q - 0 0 97 79,-0.5 79,-3.9 -2,-0.3 18,-0.2 -0.930 18.8-140.1-120.7 101.6 -15.8 1.1 6.5 5 26 A P B -B 82 0B 7 0, 0.0 77,-0.3 0, 0.0 74,-0.0 -0.372 20.4-111.1 -61.9 138.0 -14.4 1.7 3.0 6 27 A T > - 0 0 19 75,-2.8 4,-3.0 1,-0.1 5,-0.2 -0.293 39.4 -99.1 -51.1 153.2 -15.0 -1.0 0.3 7 28 A P H > S+ 0 0 28 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.854 125.7 52.9 -50.5 -40.6 -11.8 -2.8 -0.7 8 29 A L H >> S+ 0 0 6 2,-0.2 4,-1.6 1,-0.2 3,-0.6 0.997 112.3 40.5 -55.8 -71.8 -11.7 -0.4 -3.7 9 30 A L H 3> S+ 0 0 0 1,-0.2 4,-2.0 72,-0.2 -1,-0.2 0.810 115.2 56.6 -46.0 -33.8 -11.9 2.8 -1.8 10 31 A L H 3X S+ 0 0 24 -4,-3.0 4,-3.7 2,-0.2 5,-0.3 0.915 99.1 55.1 -70.6 -45.1 -9.6 1.3 0.8 11 32 A S H S+ 0 0 0 -4,-2.0 5,-2.5 1,-0.3 -2,-0.2 0.863 113.1 51.6 -63.6 -36.9 -6.7 5.3 1.0 14 35 A K H ><5S+ 0 0 103 -4,-3.7 3,-1.5 1,-0.2 -1,-0.3 0.915 110.6 47.1 -64.6 -42.2 -4.0 2.8 1.9 15 36 A S H 3<5S+ 0 0 88 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.677 109.6 57.8 -72.7 -13.6 -1.9 4.1 -1.0 16 37 A A T 3<5S- 0 0 20 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.349 132.5 -89.9 -93.5 4.5 -2.8 7.5 0.3 17 38 A G T < 5S+ 0 0 45 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.138 78.0 141.4 115.7 -21.7 -1.3 6.8 3.7 18 39 A A < - 0 0 6 -5,-2.5 -1,-0.3 1,-0.1 -2,-0.1 -0.255 30.7-167.2 -56.2 139.9 -4.2 5.4 5.7 19 40 A Q + 0 0 184 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.141 57.8 53.4-119.3 19.4 -3.1 2.5 8.0 20 41 A K S S- 0 0 79 -10,-0.1 3,-0.1 1,-0.0 -2,-0.0 -0.847 70.8-121.6-148.6-179.1 -6.5 1.0 9.0 21 42 A E S S+ 0 0 97 -2,-0.2 2,-0.3 1,-0.1 -11,-0.0 0.515 89.4 46.2-109.6 -10.5 -9.8 -0.4 7.9 22 43 A T + 0 0 64 -18,-0.2 2,-0.3 -20,-0.0 -18,-0.2 -0.980 65.4 168.9-139.4 149.0 -12.4 1.8 9.5 23 44 A F B -A 3 0A 2 -20,-2.7 -20,-3.2 -2,-0.3 2,-0.3 -0.884 38.5-101.3-146.7 166.7 -12.5 5.6 9.7 24 45 A T >> - 0 0 58 -2,-0.3 4,-1.8 -22,-0.2 3,-0.8 -0.723 46.6-112.1 -85.2 155.1 -14.4 8.7 10.6 25 46 A M H 3> S+ 0 0 37 -2,-0.3 4,-2.8 -24,-0.3 5,-0.2 0.891 121.1 57.8 -54.9 -39.1 -15.8 10.4 7.5 26 47 A K H 3> S+ 0 0 164 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.848 103.8 53.2 -59.8 -33.4 -13.3 13.2 8.1 27 48 A E H <> S+ 0 0 59 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.911 108.7 47.6 -70.2 -44.5 -10.5 10.6 8.0 28 49 A V H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 5,-0.3 0.974 112.9 49.3 -54.7 -56.3 -11.7 9.3 4.6 29 50 A L H X S+ 0 0 53 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.827 110.4 52.9 -52.2 -34.2 -11.9 12.9 3.3 30 51 A Y H X S+ 0 0 138 -4,-1.7 4,-0.9 -5,-0.2 -1,-0.2 0.913 113.2 39.4 -73.8 -41.4 -8.4 13.6 4.7 31 52 A H H X S+ 0 0 32 -4,-2.1 4,-1.7 -3,-0.2 3,-0.2 0.940 116.3 51.0 -73.9 -47.3 -6.7 10.7 3.0 32 53 A L H >X S+ 0 0 9 -4,-2.9 4,-2.8 1,-0.3 3,-0.6 0.935 109.4 51.0 -51.2 -52.7 -8.6 11.1 -0.3 33 54 A G H 3X S+ 0 0 29 -4,-2.0 4,-1.1 -5,-0.3 -1,-0.3 0.832 112.5 47.9 -52.7 -32.4 -7.7 14.8 -0.3 34 55 A Q H 3X S+ 0 0 89 -4,-0.9 4,-1.4 -3,-0.2 -2,-0.3 0.706 109.1 52.6 -81.6 -21.7 -4.2 13.5 0.2 35 56 A Y H S+ 0 0 17 -4,-2.8 5,-1.6 1,-0.2 6,-0.5 0.830 109.1 49.9 -69.6 -33.5 -5.7 13.8 -4.8 37 58 A M H ><5S+ 0 0 90 -4,-1.1 3,-0.9 -5,-0.2 -1,-0.2 0.880 110.7 50.1 -71.4 -39.0 -2.7 15.8 -4.0 38 59 A A H 3<5S+ 0 0 69 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.921 112.8 44.2 -65.4 -45.5 -0.4 12.9 -4.7 39 60 A K T 3<5S- 0 0 95 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.270 106.1-129.5 -82.3 10.3 -1.9 12.2 -8.1 40 61 A Q T < 5 + 0 0 165 -3,-0.9 -3,-0.2 1,-0.2 -4,-0.1 0.752 59.0 147.3 44.7 32.2 -1.9 15.9 -8.8 41 62 A L < + 0 0 18 -5,-1.6 10,-4.4 -6,-0.2 2,-0.6 0.485 45.6 85.6 -70.5 -3.6 -5.5 15.6 -9.8 42 63 A Y E -C 50 0C 58 -6,-0.5 2,-0.8 8,-0.3 8,-0.2 -0.899 55.1-168.1-117.8 115.3 -6.2 19.1 -8.6 43 64 A D E >> +C 49 0C 53 6,-1.6 5,-1.1 -2,-0.6 4,-0.7 -0.867 7.2 177.6 -95.1 105.7 -5.8 22.4 -10.3 44 65 A E T 45S+ 0 0 137 -2,-0.8 4,-0.3 4,-0.2 -1,-0.2 0.888 84.5 58.1 -65.8 -38.4 -6.1 25.2 -7.8 45 66 A K T 45S+ 0 0 188 -3,-0.2 -1,-0.1 2,-0.1 -2,-0.1 0.964 102.9 50.9 -54.4 -63.5 -5.4 27.5 -10.8 46 67 A Q T 45S- 0 0 115 1,-0.1 -2,-0.1 3,-0.1 -1,-0.1 0.912 131.9 -60.3 -37.4 -94.8 -8.3 26.4 -13.0 47 68 A Q T <5S- 0 0 150 -4,-0.7 -3,-0.1 2,-0.1 -1,-0.1 -0.003 78.2 -80.3-157.1 33.9 -11.4 26.6 -10.8 48 69 A H S + 0 0 1 12,-2.6 3,-1.0 -2,-0.6 6,-0.3 -0.063 24.3 126.5-135.1 36.2 -9.9 12.2 -12.6 53 74 A S T 3 S+ 0 0 74 11,-0.3 -1,-0.1 1,-0.2 12,-0.1 0.879 93.4 28.0 -60.0 -34.6 -10.8 11.2 -16.2 54 75 A N T 3 S+ 0 0 129 10,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 -0.002 104.3 90.1-122.0 32.1 -7.8 8.9 -16.1 55 76 A D S <> S- 0 0 10 -3,-1.0 4,-1.2 1,-0.1 37,-0.2 -0.854 82.2-115.8-115.7 156.9 -7.3 8.0 -12.4 56 77 A P H > S+ 0 0 13 0, 0.0 4,-2.6 0, 0.0 3,-0.3 0.885 114.7 65.2 -51.8 -38.8 -8.9 5.1 -10.4 57 78 A L H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.942 97.6 49.3 -48.4 -59.4 -10.6 7.8 -8.4 58 79 A G H 4>S+ 0 0 5 -6,-0.3 5,-2.1 1,-0.3 4,-0.4 0.852 112.6 49.5 -54.5 -32.8 -12.7 9.0 -11.3 59 80 A E H <5S+ 0 0 64 -4,-1.2 3,-0.4 -3,-0.3 -1,-0.3 0.892 110.7 50.3 -74.1 -37.3 -13.7 5.4 -12.0 60 81 A L H <5S+ 0 0 15 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.880 116.9 39.3 -66.8 -39.7 -14.6 5.0 -8.4 61 82 A F T <5S- 0 0 8 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.427 105.2-127.1 -89.7 -0.1 -16.8 8.1 -8.3 62 83 A G T 5S+ 0 0 65 -4,-0.4 2,-0.3 -3,-0.4 -3,-0.2 0.891 73.5 110.1 52.4 40.4 -18.2 7.5 -11.7 63 84 A V < - 0 0 28 -5,-2.1 -2,-0.2 -6,-0.2 -1,-0.2 -0.991 64.1-148.4-145.6 156.9 -17.2 11.0 -12.7 64 85 A Q S S- 0 0 125 1,-0.3 -12,-2.6 -2,-0.3 2,-0.3 0.847 83.2 -10.7 -89.6 -39.2 -14.7 12.8 -14.9 65 86 A E E -D 51 0C 93 -14,-0.2 -1,-0.3 -13,-0.2 2,-0.3 -0.989 57.5-175.1-156.3 156.2 -14.3 15.8 -12.7 66 87 A F E -D 50 0C 6 -16,-1.7 -16,-3.8 -2,-0.3 2,-0.2 -0.980 30.3-110.4-152.0 149.9 -15.7 17.7 -9.8 67 88 A S E > -D 49 0C 20 -2,-0.3 3,-1.4 -18,-0.3 -18,-0.3 -0.549 25.0-130.3 -71.0 144.9 -15.2 20.9 -7.9 68 89 A V T 3 S+ 0 0 36 -20,-2.7 -19,-0.1 1,-0.3 -1,-0.1 0.347 106.9 60.2 -79.7 8.5 -13.8 20.6 -4.4 69 90 A K T 3 S+ 0 0 126 -21,-0.2 2,-0.6 1,-0.1 -1,-0.3 0.147 74.8 88.5-123.9 12.2 -16.6 22.8 -3.3 70 91 A E X> + 0 0 90 -3,-1.4 4,-2.4 1,-0.2 3,-0.9 -0.560 53.3 160.9-101.6 63.0 -19.5 20.6 -4.3 71 92 A H H 3> + 0 0 118 -2,-0.6 4,-2.5 1,-0.3 5,-0.2 0.880 65.8 58.7 -59.3 -43.1 -19.3 18.9 -0.9 72 93 A R H 3> S+ 0 0 236 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.865 111.8 42.3 -51.7 -39.7 -22.8 17.4 -1.1 73 94 A R H <> S+ 0 0 93 -3,-0.9 4,-2.6 2,-0.2 -2,-0.2 0.891 111.0 54.6 -76.1 -39.2 -21.7 15.6 -4.3 74 95 A I H X S+ 0 0 25 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.817 108.4 51.6 -62.2 -30.1 -18.3 14.6 -2.9 75 96 A Y H X S+ 0 0 98 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.890 109.7 46.9 -74.0 -41.4 -20.2 13.0 0.0 76 97 A A H X S+ 0 0 37 -4,-1.4 4,-1.5 -5,-0.2 -2,-0.2 0.933 109.0 55.0 -66.2 -42.8 -22.5 11.0 -2.1 77 98 A M H < S+ 0 0 3 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.934 113.7 42.3 -56.9 -44.0 -19.7 9.8 -4.3 78 99 A I H >< S+ 0 0 0 -4,-1.5 3,-2.7 -5,-0.2 -1,-0.2 0.903 104.9 65.1 -66.2 -38.5 -17.9 8.5 -1.2 79 100 A S H >< S+ 0 0 67 -4,-2.3 3,-1.2 1,-0.3 -1,-0.2 0.806 95.4 56.8 -62.6 -29.6 -21.1 7.1 0.3 80 101 A R T 3< S+ 0 0 167 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.1 0.398 104.8 55.6 -81.3 6.5 -21.5 4.5 -2.4 81 102 A N T < S+ 0 0 7 -3,-2.7 -75,-2.8 -5,-0.1 2,-0.4 0.187 87.0 91.5-121.6 12.9 -18.0 3.3 -1.6 82 103 A L B < B 5 0B 34 -3,-1.2 -79,-0.0 -77,-0.3 0, 0.0 -0.911 360.0 360.0-106.6 136.6 -18.5 2.6 2.1 83 104 A V 0 0 121 -79,-3.9 -79,-0.5 -2,-0.4 -2,-0.1 -0.374 360.0 360.0 -61.3 360.0 -19.6 -0.9 3.2 84 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 85 22 B K 0 0 253 0, 0.0 2,-0.1 0, 0.0 22,-0.0 0.000 360.0 360.0 360.0 135.4 -5.5 -6.2 -31.2 86 23 B L - 0 0 96 22,-0.1 22,-0.2 1,-0.1 2,-0.2 -0.419 360.0-133.1 -82.2 146.0 -4.3 -5.0 -27.8 87 24 B V B -E 107 0D 22 20,-3.6 20,-2.6 -2,-0.1 -1,-0.1 -0.630 8.4-150.2 -90.1 154.4 -6.5 -4.2 -24.8 88 25 B Q - 0 0 89 79,-0.3 79,-3.1 -2,-0.2 2,-0.2 -0.945 17.6-137.2-125.3 107.3 -6.2 -1.1 -22.7 89 26 B P B -F 166 0E 9 0, 0.0 77,-0.3 0, 0.0 74,-0.1 -0.441 18.8-117.4 -64.1 128.1 -7.2 -1.5 -19.0 90 27 B T > - 0 0 25 75,-2.6 4,-2.4 -2,-0.2 3,-0.2 -0.256 43.4 -93.2 -46.6 152.1 -9.3 1.2 -17.4 91 28 B P H > S+ 0 0 28 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.782 122.8 55.8 -49.1 -37.5 -7.4 2.9 -14.5 92 29 B L H > S+ 0 0 13 2,-0.2 4,-2.0 -37,-0.2 5,-0.2 0.980 111.6 39.4 -62.1 -58.8 -8.9 0.5 -11.9 93 30 B L H > S+ 0 0 0 -3,-0.2 4,-3.5 72,-0.2 5,-0.2 0.892 114.2 58.0 -57.8 -37.6 -7.9 -2.7 -13.4 94 31 B L H X S+ 0 0 25 -4,-2.4 4,-3.7 2,-0.2 5,-0.2 0.945 104.2 48.6 -60.3 -51.9 -4.5 -1.1 -14.3 95 32 B S H X S+ 0 0 44 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.918 114.1 48.2 -52.2 -44.8 -3.7 -0.2 -10.7 96 33 B L H X S+ 0 0 8 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.954 113.7 46.9 -57.7 -48.0 -4.6 -3.8 -9.9 97 34 B L H <>S+ 0 0 0 -4,-3.5 5,-1.8 1,-0.2 4,-0.4 0.861 111.5 51.5 -66.5 -35.9 -2.4 -5.0 -12.7 98 35 B K H ><5S+ 0 0 111 -4,-3.7 3,-2.8 1,-0.2 -1,-0.2 0.942 103.0 56.1 -65.0 -48.3 0.4 -2.7 -11.7 99 36 B S H 3<5S+ 0 0 85 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.804 103.7 60.0 -54.8 -24.2 0.4 -3.9 -8.1 100 37 B A T 3<5S- 0 0 29 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.663 131.4 -93.4 -77.8 -17.2 0.9 -7.3 -9.7 101 38 B G T < 5S+ 0 0 49 -3,-2.8 2,-0.2 -4,-0.4 -3,-0.2 0.504 75.3 146.6 117.0 8.3 4.1 -6.2 -11.4 102 39 B A < - 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