==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 01-OCT-08 3EQS . COMPND 2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE MDM2; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.PAZGIER,W.LU . 95 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5902.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 70 73.7 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 . 11 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 . 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 . 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 . 5 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 3.2 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 2 0 0 1 1 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 . 2 1 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 . 1 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 26 A T 0 0 161 0, 0.0 24,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 124.4 -7.8 -17.7 -3.4 2 27 A L E -A 24 0A 107 22,-0.2 2,-0.3 23,-0.1 22,-0.2 -0.660 360.0-159.6 -80.5 143.1 -6.7 -15.8 -6.5 3 28 A V E -A 23 0A 25 20,-3.5 20,-1.9 -2,-0.3 81,-0.1 -0.829 9.7-139.5-120.7 160.7 -9.2 -13.3 -8.0 4 29 A R - 0 0 114 79,-0.3 79,-3.4 -2,-0.3 18,-0.2 -0.886 18.2-139.1-128.3 99.5 -9.3 -11.9 -11.5 5 30 A P B -B 82 0B 8 0, 0.0 77,-0.3 0, 0.0 74,-0.1 -0.217 17.6-120.9 -59.4 142.0 -10.2 -8.2 -11.9 6 31 A K > - 0 0 85 75,-2.8 4,-2.7 1,-0.1 5,-0.2 -0.237 44.6 -86.5 -68.1 171.5 -12.5 -7.1 -14.7 7 32 A P H > S+ 0 0 108 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.857 123.6 47.1 -59.9 -44.0 -11.0 -4.6 -17.1 8 33 A L H > S+ 0 0 65 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.936 116.0 45.6 -64.8 -42.6 -11.8 -1.3 -15.4 9 34 A L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.904 111.3 53.9 -66.6 -36.7 -10.5 -2.5 -12.1 10 35 A L H X S+ 0 0 33 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.918 105.6 53.2 -61.2 -40.6 -7.5 -4.0 -13.9 11 36 A K H X S+ 0 0 145 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.906 108.1 51.3 -59.3 -43.7 -6.8 -0.5 -15.4 12 37 A L H X S+ 0 0 0 -4,-2.1 4,-0.7 2,-0.2 3,-0.3 0.948 111.5 46.4 -59.7 -49.2 -6.8 0.9 -11.8 13 38 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 3,-1.2 0.932 111.3 51.8 -61.2 -42.8 -4.3 -1.7 -10.6 14 39 A K H ><5S+ 0 0 107 -4,-2.9 3,-1.4 1,-0.2 -1,-0.2 0.828 97.9 67.9 -61.8 -28.0 -2.1 -1.2 -13.6 15 40 A S H 3<5S+ 0 0 75 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.766 104.7 41.7 -69.4 -22.1 -2.1 2.6 -12.9 16 41 A V T <<5S- 0 0 38 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.325 131.5 -92.1-100.5 4.0 -0.1 2.0 -9.7 17 42 A G T < 5 + 0 0 48 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.564 66.8 157.6 101.0 13.5 2.2 -0.6 -11.3 18 43 A A < - 0 0 5 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.0 -0.449 22.9-164.6 -66.7 139.4 0.5 -3.9 -10.6 19 44 A Q + 0 0 181 -2,-0.1 2,-0.3 -6,-0.0 -1,-0.1 0.222 52.2 73.4-117.5 17.2 1.8 -6.3 -13.2 20 45 A K - 0 0 89 -10,-0.1 3,-0.1 1,-0.1 -6,-0.0 -0.820 64.0-139.4-128.7 166.8 -0.6 -9.2 -13.2 21 46 A D S S+ 0 0 84 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.502 92.3 46.7-103.3 -4.6 -4.1 -10.2 -14.2 22 47 A T + 0 0 26 -18,-0.2 2,-0.3 -20,-0.0 -18,-0.2 -0.989 63.4 156.7-133.7 149.1 -4.7 -12.2 -11.0 23 48 A Y E -A 3 0A 7 -20,-1.9 -20,-3.5 -2,-0.3 2,-0.2 -0.945 43.2 -93.2-154.6 164.2 -4.1 -11.4 -7.3 24 49 A T E > -A 2 0A 44 -2,-0.3 4,-2.5 -22,-0.2 5,-0.2 -0.497 41.6-110.2 -75.9 165.6 -5.3 -12.3 -3.9 25 50 A M H > S+ 0 0 30 -24,-0.6 4,-2.7 1,-0.2 5,-0.2 0.908 121.0 56.9 -65.3 -36.6 -8.0 -10.1 -2.4 26 51 A K H > S+ 0 0 135 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.918 108.0 47.3 -57.8 -42.9 -5.4 -8.8 0.1 27 52 A E H > S+ 0 0 69 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.924 108.8 52.8 -66.3 -42.7 -3.3 -7.6 -2.9 28 53 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.937 111.7 47.6 -57.2 -46.8 -6.3 -6.0 -4.6 29 54 A L H X S+ 0 0 1 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.915 110.0 52.3 -60.3 -42.7 -7.0 -4.1 -1.4 30 55 A F H X S+ 0 0 116 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.942 112.6 44.6 -58.3 -49.7 -3.3 -3.1 -1.1 31 56 A Y H X S+ 0 0 53 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.898 111.0 53.2 -63.8 -40.8 -3.3 -1.7 -4.6 32 57 A L H X S+ 0 0 1 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.913 109.1 49.8 -58.6 -42.0 -6.6 0.0 -4.2 33 58 A G H X S+ 0 0 6 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.907 109.7 51.5 -63.9 -41.7 -5.3 1.8 -1.1 34 59 A Q H X S+ 0 0 91 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.908 110.0 50.5 -60.5 -40.4 -2.1 2.8 -3.0 35 60 A Y H X S+ 0 0 8 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.938 109.6 48.9 -63.1 -48.4 -4.4 4.3 -5.7 36 61 A I H X>S+ 0 0 1 -4,-2.5 5,-2.1 2,-0.2 4,-0.7 0.909 115.1 44.7 -59.9 -42.0 -6.5 6.3 -3.3 37 62 A M H ><5S+ 0 0 77 -4,-2.3 3,-1.2 2,-0.2 -2,-0.2 0.964 111.7 52.8 -67.3 -44.2 -3.4 7.7 -1.6 38 63 A T H 3<5S+ 0 0 102 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.894 116.4 38.8 -57.1 -44.8 -1.6 8.4 -4.9 39 64 A K H 3<5S- 0 0 100 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.493 105.3-131.8 -84.7 -3.6 -4.7 10.4 -6.2 40 65 A R T <<5 + 0 0 201 -3,-1.2 -3,-0.2 -4,-0.7 4,-0.1 0.909 51.5 153.3 51.9 51.3 -5.3 11.9 -2.7 41 66 A L < + 0 0 25 -5,-2.1 10,-2.8 -6,-0.2 2,-0.2 0.581 45.2 85.9 -86.4 -6.2 -8.9 11.0 -2.9 42 67 A Y B S-C 50 0C 34 -6,-0.5 2,-0.3 8,-0.2 8,-0.2 -0.620 90.3-101.8 -93.0 153.1 -9.2 10.9 0.9 43 68 A D - 0 0 64 6,-2.3 6,-0.2 3,-0.5 -2,-0.1 -0.586 21.5-143.8 -72.6 127.6 -9.9 13.9 3.1 44 69 A E S S+ 0 0 136 -2,-0.3 3,-0.3 1,-0.2 -1,-0.1 0.826 98.3 46.8 -59.5 -34.7 -6.7 15.1 4.8 45 70 A K S S+ 0 0 182 1,-0.3 2,-0.6 2,-0.0 -1,-0.2 0.963 127.3 19.6 -75.9 -55.0 -8.7 16.0 8.0 46 71 A Q S > S- 0 0 104 1,-0.1 3,-2.0 3,-0.1 -3,-0.5 -0.912 78.3-163.2-119.2 98.2 -10.8 12.9 8.6 47 72 A Q T 3 S+ 0 0 32 -2,-0.6 -1,-0.1 39,-0.5 -3,-0.1 0.369 77.1 70.2 -80.7 7.6 -8.9 10.3 6.5 48 73 A H T 3 S+ 0 0 22 -6,-0.1 20,-2.9 43,-0.1 2,-0.5 0.544 79.8 96.0 -88.5 -11.9 -11.7 7.7 6.3 49 74 A I E < - D 0 67C 67 -3,-2.0 -6,-2.3 -6,-0.2 2,-0.5 -0.698 55.7-173.7 -84.6 122.6 -13.6 10.0 4.0 50 75 A V E -CD 42 66C 0 16,-2.8 16,-2.2 -2,-0.5 2,-0.5 -0.972 11.0-165.4-118.4 130.0 -13.1 9.2 0.2 51 76 A Y E + D 0 65C 140 -10,-2.8 14,-0.3 -2,-0.5 7,-0.1 -0.965 20.4 159.0-112.7 117.6 -14.5 11.4 -2.5 52 77 A C > + 0 0 1 12,-2.2 3,-2.1 -2,-0.5 6,-0.9 0.230 14.9 142.1-127.2 9.5 -14.3 9.6 -5.9 53 78 A S T 3 S+ 0 0 45 11,-1.4 3,-0.1 1,-0.3 4,-0.1 -0.326 80.0 9.1 -59.4 137.7 -16.9 11.3 -8.2 54 79 A N T 3 S+ 0 0 160 1,-0.3 2,-0.3 2,-0.1 -1,-0.3 0.620 106.9 112.7 63.6 16.5 -15.6 11.6 -11.8 55 80 A D S X> S- 0 0 15 -3,-2.1 4,-1.9 1,-0.1 3,-0.6 -0.850 84.2-112.3-107.7 154.4 -12.6 9.4 -10.9 56 81 A L H 3> S+ 0 0 33 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.877 121.5 57.0 -43.1 -42.5 -12.1 5.9 -12.4 57 82 A L H 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.908 102.7 52.4 -63.7 -40.4 -12.7 4.7 -8.8 58 83 A G H <>>S+ 0 0 6 -6,-0.9 4,-2.4 -3,-0.6 5,-0.7 0.866 107.1 53.3 -61.3 -37.8 -16.1 6.4 -8.7 59 84 A D H <5S+ 0 0 108 -4,-1.9 -2,-0.2 -7,-0.2 -1,-0.2 0.904 108.7 49.6 -64.0 -41.1 -17.0 4.6 -11.9 60 85 A L H <5S+ 0 0 10 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.908 119.0 37.9 -59.6 -45.5 -16.1 1.2 -10.3 61 86 A F H <5S- 0 0 6 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.778 95.4-138.3 -74.6 -33.2 -18.1 2.0 -7.2 62 87 A G T <5S+ 0 0 67 -4,-2.4 -3,-0.2 1,-0.3 -4,-0.1 0.710 73.0 96.7 72.6 21.2 -21.0 3.7 -8.9 63 88 A V S -D 49 0C 22 -2,-0.3 3,-2.3 -18,-0.2 -18,-0.2 -0.874 23.3-129.3-100.0 142.4 -16.2 6.1 4.1 68 93 A V T 3 S+ 0 0 1 -20,-2.9 -1,-0.1 -2,-0.4 -19,-0.1 0.758 108.3 70.0 -57.5 -22.6 -13.4 3.5 4.5 69 94 A K T 3 S+ 0 0 123 -21,-0.2 2,-1.8 1,-0.2 -1,-0.3 0.628 74.5 89.7 -68.4 -14.7 -15.5 2.3 7.5 70 95 A E <> + 0 0 67 -3,-2.3 4,-2.2 1,-0.2 5,-0.2 -0.549 51.1 163.8 -84.2 73.1 -18.2 0.9 5.0 71 96 A H H > + 0 0 70 -2,-1.8 4,-2.9 1,-0.2 5,-0.3 0.903 69.5 52.9 -66.9 -39.0 -16.6 -2.5 4.6 72 97 A R H > S+ 0 0 213 -3,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.948 111.2 48.0 -59.3 -46.7 -19.6 -4.2 3.1 73 98 A K H > S+ 0 0 87 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.918 114.0 45.7 -59.6 -44.0 -19.8 -1.5 0.5 74 99 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.943 114.2 46.9 -67.5 -48.0 -16.1 -1.7 -0.4 75 100 A Y H X S+ 0 0 77 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.914 112.1 51.9 -59.4 -41.9 -16.0 -5.5 -0.5 76 101 A T H X S+ 0 0 49 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.922 107.2 52.6 -63.5 -44.8 -19.2 -5.5 -2.7 77 102 A M H X S+ 0 0 3 -4,-2.5 4,-0.9 -5,-0.2 -1,-0.2 0.919 110.4 49.1 -49.0 -49.1 -17.6 -3.0 -5.1 78 103 A I H >< S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.967 111.0 47.8 -61.3 -51.3 -14.6 -5.2 -5.5 79 104 A Y H >< S+ 0 0 131 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.869 106.1 57.7 -59.4 -36.3 -16.6 -8.4 -6.1 80 105 A R H 3< S+ 0 0 162 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.774 108.8 49.4 -62.7 -22.1 -18.8 -6.6 -8.7 81 106 A N T << S+ 0 0 24 -3,-1.3 -75,-2.8 -4,-0.9 2,-0.3 0.029 96.1 91.9-108.5 23.3 -15.6 -5.9 -10.5 82 107 A L B < S-B 5 0B 5 -3,-1.7 2,-1.0 -77,-0.3 -79,-0.0 -0.909 74.9-126.2-114.3 148.1 -14.1 -9.5 -10.4 83 108 A V 0 0 81 -79,-3.4 -79,-0.3 -2,-0.3 -3,-0.1 -0.810 360.0 360.0 -86.9 99.0 -14.4 -12.4 -12.9 84 109 A V 0 0 174 -2,-1.0 -81,-0.1 -5,-0.1 -2,-0.0 -0.697 360.0 360.0 -97.0 360.0 -15.8 -15.0 -10.6 85 !* 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 86 1 B T 0 0 110 0, 0.0 -39,-0.5 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 123.7 -6.1 7.7 12.6 87 2 B S > - 0 0 43 1,-0.1 4,-2.4 -41,-0.1 5,-0.2 -0.392 360.0-107.5 -81.0 163.0 -4.5 7.8 9.1 88 3 B F H > S+ 0 0 2 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.929 121.9 52.4 -49.4 -47.2 -6.0 6.6 5.8 89 4 B A H > S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.882 107.0 53.4 -63.5 -37.7 -3.7 3.6 5.9 90 5 B E H > S+ 0 0 114 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.941 113.7 41.8 -61.4 -45.8 -4.8 2.7 9.4 91 6 B Y H >< S+ 0 0 44 -4,-2.4 3,-1.0 1,-0.2 4,-0.2 0.930 115.3 50.9 -64.6 -42.5 -8.5 2.8 8.4 92 7 B W H >< S+ 0 0 8 -4,-3.2 3,-2.0 1,-0.3 4,-0.3 0.874 102.2 59.7 -66.8 -36.7 -7.8 1.0 5.1 93 8 B N H >< S+ 0 0 82 -4,-2.5 3,-1.2 1,-0.3 -1,-0.3 0.713 88.9 72.7 -68.7 -18.2 -5.9 -1.8 6.7 94 9 B L T << S+ 0 0 121 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.620 83.3 72.5 -67.7 -12.4 -8.9 -2.7 8.8 95 10 B L T < 0 0 5 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.738 360.0 360.0 -71.6 -23.1 -10.4 -4.1 5.6 96 11 B S < 0 0 73 -3,-1.2 -1,-0.2 -4,-0.3 -70,-0.0 -0.848 360.0 360.0-104.0 360.0 -8.1 -7.1 5.6