==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER APOPTOSIS 19-FEB-13 2M5B . COMPND 2 MOLECULE: BCL-2 HOMOLOGOUS ANTAGONIST/KILLER; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.MOLDOVEANU,C.R.GRACE,R.W.KRIWACKI,D.R.GREEN . 191 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10029.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 70.2 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 . 0 0.0 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 . 4 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 51.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 1 1 0 0 0 3 0 0 1 0 0 0 0 0 1 0 0 0 0 1 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 18 A A 0 0 96 0, 0.0 51,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-168.6 14.4 15.9 -6.0 2 19 A L - 0 0 142 1,-0.1 159,-0.1 2,-0.1 0, 0.0 -0.590 360.0-102.7 -95.4 157.9 12.4 19.0 -6.9 3 20 A P S S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 156,-0.0 -0.084 81.0 37.2 -69.8 173.8 9.0 20.1 -5.4 4 21 A S - 0 0 115 1,-0.1 2,-0.3 151,-0.1 -2,-0.1 0.291 62.7-166.3 63.3 160.9 5.6 19.8 -7.1 5 22 A A - 0 0 30 150,-0.1 2,-0.2 154,-0.1 154,-0.2 -0.893 12.5-134.4-178.3 148.1 4.7 16.8 -9.3 6 23 A S >> - 0 0 76 -2,-0.3 4,-2.4 1,-0.1 3,-0.7 -0.694 36.5-102.7-109.9 163.7 2.0 15.7 -11.8 7 24 A E H 3> S+ 0 0 49 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.840 119.1 65.0 -51.0 -35.8 0.1 12.4 -12.2 8 25 A E H 3> S+ 0 0 165 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.939 110.6 33.7 -53.4 -52.6 2.5 11.5 -14.9 9 26 A Q H <> S+ 0 0 52 -3,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.785 111.7 65.6 -74.8 -28.3 5.4 11.3 -12.6 10 27 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.902 98.2 53.3 -60.1 -43.0 3.2 10.1 -9.8 11 28 A A H X S+ 0 0 15 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.945 110.2 46.1 -57.8 -51.6 2.5 6.8 -11.6 12 29 A Q H X S+ 0 0 109 -4,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.926 115.2 46.5 -58.0 -47.6 6.2 6.1 -12.1 13 30 A D H X S+ 0 0 17 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.829 109.3 57.7 -64.7 -32.3 7.0 6.9 -8.5 14 31 A T H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.965 109.8 40.7 -62.8 -54.8 4.0 4.8 -7.4 15 32 A E H X S+ 0 0 56 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.911 119.5 46.9 -60.8 -44.2 5.1 1.6 -9.0 16 33 A E H X S+ 0 0 60 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.959 116.2 42.5 -63.0 -53.1 8.7 2.2 -7.9 17 34 A V H X S+ 0 0 0 -4,-3.1 4,-3.1 1,-0.2 5,-0.2 0.833 112.0 57.7 -63.1 -32.9 7.8 3.1 -4.3 18 35 A F H X S+ 0 0 8 -4,-2.5 4,-2.5 -5,-0.3 5,-0.3 0.952 110.1 41.0 -62.8 -51.8 5.3 0.2 -4.3 19 36 A R H X S+ 0 0 91 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.928 119.6 45.3 -62.8 -46.8 7.9 -2.4 -5.1 20 37 A S H X S+ 0 0 4 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.918 113.6 50.4 -63.6 -44.9 10.6 -0.9 -2.8 21 38 A Y H X S+ 0 0 0 -4,-3.1 4,-2.6 -5,-0.2 3,-0.2 0.975 113.8 42.2 -57.4 -59.9 8.1 -0.4 -0.0 22 39 A V H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 5,-0.3 0.824 112.4 58.0 -57.4 -32.2 6.7 -4.0 -0.1 23 40 A F H X S+ 0 0 57 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.928 110.1 41.0 -64.6 -46.6 10.3 -5.2 -0.5 24 41 A Y H X S+ 0 0 58 -4,-2.4 4,-2.6 -3,-0.2 5,-0.3 0.942 114.1 51.9 -67.2 -49.2 11.5 -3.5 2.7 25 42 A R H X S+ 0 0 4 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.927 118.1 37.7 -53.1 -50.0 8.4 -4.5 4.7 26 43 A H H X S+ 0 0 2 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.816 111.6 62.3 -72.2 -31.3 8.8 -8.1 3.7 27 44 A Q H < S+ 0 0 87 -4,-2.0 4,-0.5 -5,-0.3 3,-0.3 0.960 109.2 38.2 -58.6 -55.0 12.6 -7.9 4.0 28 45 A Q H >X S+ 0 0 101 -4,-2.6 4,-0.8 1,-0.2 3,-0.6 0.784 114.3 57.8 -67.4 -27.4 12.6 -7.1 7.7 29 46 A E H 3X S+ 0 0 23 -4,-1.2 4,-2.8 -5,-0.3 -1,-0.2 0.829 89.5 71.6 -71.8 -32.8 9.7 -9.5 8.1 30 47 A Q H 3< S+ 0 0 66 -4,-2.1 -1,-0.2 -3,-0.3 -2,-0.2 0.798 95.8 55.2 -52.8 -29.6 11.8 -12.4 6.7 31 48 A E H <4 S+ 0 0 165 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.948 116.9 32.0 -69.9 -50.5 13.8 -12.2 9.9 32 49 A A H < S- 0 0 82 -4,-0.8 2,-0.2 -3,-0.1 -2,-0.2 0.978 135.6 -11.3 -71.1 -58.9 10.8 -12.7 12.2 33 50 A E < - 0 0 100 -4,-2.8 -1,-0.1 2,-0.1 0, 0.0 -0.714 51.1-134.3-132.8-176.7 8.6 -14.9 10.0 34 51 A G > + 0 0 50 -2,-0.2 3,-1.7 3,-0.1 2,-0.2 0.094 45.8 148.1-130.7 22.1 8.4 -16.1 6.4 35 52 A V T 3 S- 0 0 31 1,-0.3 -2,-0.1 -6,-0.2 -6,-0.0 -0.411 83.2 -9.7 -63.3 127.1 4.7 -15.6 5.6 36 53 A A T 3 S- 0 0 13 -2,-0.2 -1,-0.3 1,-0.1 87,-0.1 0.849 96.6-178.1 51.3 37.2 4.3 -14.8 2.0 37 54 A A < - 0 0 23 -3,-1.7 -1,-0.1 1,-0.1 -3,-0.1 -0.147 25.5-101.1 -63.2 161.0 8.0 -14.4 1.7 38 55 A P - 0 0 34 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.126 45.8 -81.3 -69.8-169.9 9.7 -13.4 -1.6 39 56 A A S S- 0 0 20 1,-0.3 5,-0.3 5,-0.2 6,-0.1 -0.195 78.5 -93.2 -90.9 42.2 11.4 -15.7 -4.1 40 57 A D - 0 0 107 -2,-0.4 2,-1.6 1,-0.1 -1,-0.3 0.340 60.8 -55.0 62.9 157.9 14.6 -15.8 -2.1 41 58 A P S S+ 0 0 129 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.485 100.5 98.2 -69.8 87.0 17.6 -13.4 -2.6 42 59 A E S > S- 0 0 135 -2,-1.6 3,-2.5 -3,-0.0 -3,-0.1 -0.789 94.4 -60.7-151.4-167.0 18.2 -14.0 -6.3 43 60 A M T 3 S+ 0 0 162 1,-0.3 -3,-0.1 -2,-0.2 -4,-0.0 0.778 131.0 59.1 -57.8 -26.4 17.6 -12.7 -9.8 44 61 A V T 3 S+ 0 0 68 -5,-0.3 -1,-0.3 -4,-0.1 -5,-0.2 0.553 88.2 105.4 -79.6 -8.0 13.9 -13.2 -9.1 45 62 A T S < S- 0 0 52 -3,-2.5 -22,-0.0 -6,-0.1 -2,-0.0 0.219 89.7 -87.1 -57.8-170.9 14.2 -10.8 -6.2 46 63 A L - 0 0 31 -27,-0.1 2,-1.9 -23,-0.0 -1,-0.1 -0.754 37.9-163.4-109.2 85.3 12.9 -7.3 -6.3 47 64 A P + 0 0 106 0, 0.0 -27,-0.1 0, 0.0 2,-0.1 -0.468 21.2 179.8 -69.8 83.6 15.7 -5.1 -7.8 48 65 A L - 0 0 26 -2,-1.9 3,-0.1 -29,-0.1 -31,-0.1 -0.291 33.4-118.3 -81.3 169.7 14.4 -1.7 -6.7 49 66 A Q > + 0 0 139 1,-0.1 3,-1.4 -33,-0.1 6,-0.4 -0.685 39.6 162.6-112.5 77.2 16.1 1.6 -7.5 50 67 A P T 3 + 0 0 74 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 0.558 61.1 87.8 -69.7 -7.4 16.9 3.1 -4.0 51 68 A S T 3 S+ 0 0 109 -3,-0.1 2,-0.2 4,-0.1 -2,-0.0 0.649 81.9 72.4 -66.4 -14.0 19.4 5.4 -5.8 52 69 A S S X> S- 0 0 40 -3,-1.4 3,-2.1 1,-0.1 4,-0.5 -0.630 99.9-106.5-101.4 161.1 16.4 7.8 -6.2 53 70 A T H >> S+ 0 0 39 1,-0.3 4,-0.8 -2,-0.2 3,-0.8 0.768 117.7 69.0 -54.8 -25.7 14.6 9.9 -3.6 54 71 A M H >> S+ 0 0 8 1,-0.2 4,-1.8 2,-0.2 3,-0.5 0.826 83.7 71.1 -63.4 -31.9 11.8 7.3 -3.8 55 72 A G H <> S+ 0 0 5 -3,-2.1 4,-1.2 -6,-0.4 -1,-0.2 0.870 99.6 46.0 -52.5 -40.3 14.0 4.8 -2.2 56 73 A Q H X S+ 0 0 3 -4,-2.2 4,-2.3 1,-0.2 3,-1.1 0.940 112.0 52.3 -53.8 -52.3 9.7 5.4 5.8 61 78 A L H 3X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.3 -1,-0.2 0.894 105.8 54.9 -51.7 -44.1 6.2 4.2 4.7 62 79 A A H 3< S+ 0 0 0 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.798 109.5 49.3 -61.0 -28.7 7.1 0.7 5.9 63 80 A I H XX S+ 0 0 45 -4,-1.3 3,-1.6 -3,-1.1 4,-0.6 0.959 110.7 45.1 -75.4 -54.4 8.0 2.2 9.3 64 81 A I H 3< S+ 0 0 16 -4,-2.3 4,-0.3 1,-0.3 -2,-0.2 0.771 126.7 34.6 -60.8 -25.7 4.8 4.3 9.8 65 82 A G T 3X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.3 0.174 92.8 98.9-114.2 16.0 2.9 1.2 8.6 66 83 A D H <> S+ 0 0 20 -3,-1.6 4,-2.1 2,-0.2 5,-0.4 0.999 91.2 31.4 -64.6 -69.2 5.1 -1.4 10.1 67 84 A D H X S+ 0 0 83 -4,-0.6 4,-2.6 1,-0.2 5,-0.2 0.926 120.4 54.2 -55.5 -48.4 3.3 -2.3 13.3 68 85 A I H > S+ 0 0 15 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.921 111.2 46.0 -52.4 -49.0 -0.1 -1.5 11.7 69 86 A N H X S+ 0 0 6 -4,-2.0 4,-0.8 1,-0.2 3,-0.4 0.993 116.3 40.8 -58.1 -69.7 0.7 -4.0 8.8 70 87 A R H X S+ 0 0 129 -4,-2.1 4,-1.1 1,-0.2 3,-0.3 0.805 112.2 62.5 -49.8 -31.0 2.0 -6.9 10.9 71 88 A R H < S+ 0 0 176 -4,-2.6 4,-0.3 -5,-0.4 -1,-0.2 0.974 119.4 21.1 -60.1 -58.2 -0.9 -6.1 13.3 72 89 A Y H X S+ 0 0 59 -4,-2.2 4,-1.0 -3,-0.4 -1,-0.2 0.155 109.3 86.2 -97.2 17.6 -3.7 -6.7 10.8 73 90 A D H X S+ 0 0 10 -4,-0.8 4,-2.1 -3,-0.3 5,-0.3 0.906 80.1 56.8 -82.0 -46.6 -1.4 -8.9 8.6 74 91 A S H X S+ 0 0 66 -4,-1.1 4,-0.9 1,-0.2 -2,-0.1 0.893 116.4 37.6 -51.7 -43.9 -1.9 -12.2 10.5 75 92 A E H > S+ 0 0 106 -4,-0.3 4,-2.3 2,-0.2 5,-0.4 0.819 106.7 68.2 -78.1 -32.6 -5.7 -11.9 9.9 76 93 A F H X S+ 0 0 9 -4,-1.0 4,-2.4 1,-0.2 -2,-0.2 0.935 105.5 40.2 -51.3 -53.0 -5.2 -10.4 6.4 77 94 A Q H X S+ 0 0 33 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.841 109.2 63.6 -66.4 -33.7 -3.8 -13.7 5.1 78 95 A T H < S+ 0 0 70 -4,-0.9 4,-0.4 -5,-0.3 -2,-0.2 0.948 114.1 30.3 -55.3 -53.8 -6.4 -15.6 7.1 79 96 A M H >< S+ 0 0 14 -4,-2.3 3,-1.3 1,-0.2 4,-0.4 0.860 113.9 63.5 -74.6 -37.2 -9.4 -14.1 5.2 80 97 A L H >X S+ 0 0 4 -4,-2.4 3,-1.6 -5,-0.4 4,-1.3 0.868 97.5 57.4 -54.7 -38.7 -7.4 -13.7 2.0 81 98 A Q T 3< S+ 0 0 99 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.775 99.5 59.3 -63.9 -26.1 -7.0 -17.5 1.8 82 99 A H T <4 S+ 0 0 121 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.561 103.0 56.1 -78.9 -8.5 -10.8 -17.7 1.9 83 100 A L T <4 S- 0 0 20 -3,-1.6 -2,-0.2 -4,-0.4 -1,-0.1 0.950 71.0-175.6 -85.6 -66.2 -10.9 -15.6 -1.3 84 101 A Q < - 0 0 135 -4,-1.3 -3,-0.1 2,-0.0 -4,-0.0 0.990 18.5-168.2 63.9 62.8 -8.7 -17.6 -3.8 85 102 A P - 0 0 20 0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.062 6.4-133.5 -69.7-174.9 -8.8 -15.0 -6.7 86 103 A T - 0 0 48 1,-0.0 4,-0.3 44,-0.0 7,-0.2 -0.870 23.2-109.3-138.9 171.4 -7.6 -15.6 -10.3 87 104 A A S S+ 0 0 50 -2,-0.3 4,-0.3 2,-0.2 -1,-0.0 0.684 118.1 52.9 -75.5 -18.4 -5.6 -14.0 -13.0 88 105 A E S S+ 0 0 138 1,-0.2 4,-0.2 2,-0.1 3,-0.2 0.866 122.4 26.6 -83.4 -40.6 -8.8 -13.3 -15.0 89 106 A N S > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.1 5,-0.3 0.177 88.5 114.6-106.5 14.7 -10.6 -11.6 -12.1 90 107 A A H > S+ 0 0 7 -4,-0.3 4,-2.7 1,-0.2 3,-0.2 0.928 85.8 36.4 -49.0 -53.4 -7.5 -10.4 -10.4 91 108 A Y H > S+ 0 0 114 -4,-0.3 4,-2.7 1,-0.2 5,-0.3 0.871 110.9 62.0 -69.3 -37.8 -8.3 -6.7 -11.1 92 109 A E H 4 S+ 0 0 98 -4,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.831 114.6 35.1 -57.2 -32.9 -12.0 -7.3 -10.6 93 110 A Y H >X S+ 0 0 52 -4,-2.2 4,-2.2 -3,-0.2 3,-0.5 0.919 117.8 49.0 -86.6 -52.5 -11.2 -8.4 -7.0 94 111 A F H 3X S+ 0 0 4 -4,-2.7 4,-2.4 -5,-0.3 5,-0.3 0.943 108.2 54.4 -52.3 -54.1 -8.3 -6.0 -6.2 95 112 A T H 3X S+ 0 0 45 -4,-2.7 4,-2.2 1,-0.2 -1,-0.3 0.833 109.3 51.0 -50.3 -34.9 -10.3 -3.0 -7.5 96 113 A K H <> S+ 0 0 47 -3,-0.5 4,-2.4 -4,-0.4 -1,-0.2 0.945 108.1 49.6 -69.5 -49.8 -13.0 -4.0 -5.1 97 114 A I H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.946 116.7 41.3 -54.2 -53.6 -10.7 -4.3 -2.0 98 115 A A H X S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 5,-0.5 0.964 113.4 51.9 -59.7 -55.6 -9.2 -0.8 -2.6 99 116 A T H < S+ 0 0 48 -4,-2.2 4,-0.4 -5,-0.3 -1,-0.2 0.846 112.4 48.2 -50.4 -36.9 -12.4 0.9 -3.6 100 117 A S H < S+ 0 0 51 -4,-2.4 4,-0.3 2,-0.2 -1,-0.3 0.832 115.7 44.2 -73.9 -33.4 -13.9 -0.5 -0.3 101 118 A L H >< S+ 0 0 5 -4,-1.8 3,-1.0 -3,-0.5 4,-0.3 0.966 120.6 36.7 -74.9 -56.6 -10.9 0.7 1.7 102 119 A F T 3< S+ 0 0 12 -4,-3.2 3,-0.5 1,-0.2 -1,-0.2 0.533 92.3 98.0 -73.7 -5.4 -10.5 4.2 0.2 103 120 A E T 3 S+ 0 0 142 -5,-0.5 -1,-0.2 -4,-0.4 -2,-0.2 0.860 83.5 48.8 -50.0 -39.1 -14.3 4.3 0.0 104 121 A S S < S- 0 0 109 -3,-1.0 2,-0.3 -4,-0.3 -1,-0.3 0.837 129.8 -74.7 -71.4 -33.7 -14.2 6.2 3.3 105 122 A G - 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