==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER APOPTOSIS 29-NOV-06 2O1Y . COMPND 2 MOLECULE: APOPTOSIS REGULATOR BCL-X; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.BRUNCKO,T.K.OOST,B.A.BELLI,H.DING,M.K.JOSEPH,A.KUNZER, . 181 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13754.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 77.3 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 . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 21.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 51.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.8 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 1 0 0 1 0 1 0 0 1 0 2 0 0 0 0 2 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 . 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 1 A M 0 0 243 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.3 -33.7 3.4 -6.8 2 2 A S - 0 0 113 2,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.790 360.0-173.6-150.4-168.1 -30.0 2.7 -7.2 3 3 A M - 0 0 156 -2,-0.2 2,-0.2 2,-0.0 0, 0.0 -0.872 2.8-172.7 171.2 156.9 -26.7 4.3 -8.1 4 4 A A - 0 0 76 -2,-0.2 2,-0.2 1,-0.0 -2,-0.0 -0.510 20.2-114.0-139.6-152.5 -23.0 3.7 -8.8 5 5 A M - 0 0 92 1,-0.3 134,-0.0 -2,-0.2 -1,-0.0 -0.668 36.0 -70.6-139.9-165.8 -19.7 5.6 -9.4 6 6 A S - 0 0 66 -2,-0.2 -1,-0.3 1,-0.1 4,-0.1 0.042 28.7-132.3 -80.6-166.5 -17.0 6.2 -12.0 7 7 A Q S >> S+ 0 0 140 2,-0.1 4,-1.7 3,-0.0 3,-0.6 0.479 78.5 98.2-126.2 -14.5 -14.4 3.7 -13.3 8 8 A S H >> S+ 0 0 63 1,-0.3 4,-1.2 2,-0.2 3,-0.6 0.910 81.9 55.5 -40.0 -61.5 -11.3 5.9 -13.2 9 9 A N H >> S+ 0 0 5 1,-0.3 4,-1.2 2,-0.2 3,-1.1 0.877 105.0 53.7 -40.2 -51.3 -10.2 4.4 -9.9 10 10 A R H X> S+ 0 0 144 -3,-0.6 4,-1.8 1,-0.3 3,-0.6 0.921 100.1 60.3 -52.4 -48.5 -10.4 0.9 -11.4 11 11 A E H X>S+ 0 0 16 -4,-2.4 3,-1.8 -5,-0.4 5,-1.2 0.961 111.4 46.7 -73.7 -54.7 4.0 -7.0 -12.3 22 22 A S H ><5S+ 0 0 56 -4,-3.7 3,-2.0 1,-0.3 -2,-0.2 0.898 105.4 61.3 -54.1 -43.0 6.4 -5.9 -15.0 23 23 A Q T 3<5S+ 0 0 107 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.751 106.9 47.1 -56.2 -23.2 8.8 -4.6 -12.3 24 24 A K T <45S- 0 0 111 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.532 126.6-102.8 -94.9 -9.7 8.9 -8.2 -11.2 25 25 A G T <<5S+ 0 0 64 -3,-2.0 -3,-0.2 -4,-0.6 -2,-0.1 0.005 87.8 109.6 112.2 -28.0 9.5 -9.5 -14.8 26 26 A Y < + 0 0 81 -5,-1.2 -1,-0.3 -6,-0.1 2,-0.1 0.093 24.8 142.0 -67.9-173.0 5.9 -10.7 -15.4 27 27 A S + 0 0 75 -3,-0.1 -1,-0.1 -6,-0.1 -5,-0.1 -0.405 15.1 174.6 176.0 -89.6 3.5 -9.1 -17.8 28 28 A W + 0 0 200 -2,-0.1 2,-0.3 1,-0.1 -6,-0.1 0.557 18.7 137.1 62.7 140.0 1.1 -11.1 -20.0 29 29 A S - 0 0 113 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.932 35.0-118.7-179.9-158.7 -1.6 -9.5 -22.1 30 30 A Q - 0 0 178 -2,-0.3 2,-0.2 2,-0.0 0, 0.0 -0.946 13.3-126.7-158.6 175.7 -3.3 -9.5 -25.5 31 31 A F + 0 0 202 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.733 23.3 165.2-126.4 175.7 -4.0 -7.5 -28.7 32 32 A S - 0 0 105 -2,-0.2 2,-0.3 0, 0.0 -2,-0.0 -0.957 29.4-101.6-171.1-175.8 -7.0 -6.4 -30.8 33 33 A D + 0 0 158 -2,-0.3 -2,-0.0 1,-0.1 2,-0.0 -0.944 39.1 141.8-128.5 149.7 -8.2 -4.1 -33.5 34 34 A V - 0 0 129 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.123 52.5 -80.2-143.7 -97.0 -10.3 -0.9 -33.4 35 35 A E + 0 0 177 2,-0.0 2,-0.3 -2,-0.0 -2,-0.0 -0.532 57.5 120.6 170.5 118.7 -9.9 2.2 -35.6 36 36 A E - 0 0 146 -2,-0.2 2,-0.2 2,-0.0 -2,-0.1 -0.973 28.5-153.0-175.2 166.7 -7.5 5.2 -35.6 37 37 A N - 0 0 145 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.642 6.7-168.8-136.3-167.0 -4.8 7.1 -37.5 38 38 A R + 0 0 192 -2,-0.2 -2,-0.0 2,-0.0 2,-0.0 -0.890 14.5 172.6 176.2 154.2 -1.8 9.3 -37.0 39 39 A T + 0 0 143 -2,-0.3 -1,-0.0 2,-0.0 -2,-0.0 -0.297 58.2 67.4-176.5 80.7 0.6 11.6 -38.8 40 40 A E S S- 0 0 169 -2,-0.0 -2,-0.0 0, 0.0 0, 0.0 0.110 101.1 -42.3-159.2 -73.8 3.1 13.7 -36.8 41 41 A A - 0 0 46 2,-0.1 2,-0.1 0, 0.0 -2,-0.0 -0.449 48.5-144.1 179.9 99.1 5.9 11.9 -34.9 42 42 A P + 0 0 118 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.380 38.2 133.7 -70.1 145.7 5.6 8.7 -32.8 43 43 A E - 0 0 149 1,-0.2 -2,-0.1 -2,-0.1 0, 0.0 -0.971 66.9 -70.8-177.8 169.8 7.6 8.3 -29.6 44 44 A G + 0 0 75 -2,-0.3 -1,-0.2 2,-0.0 0, 0.0 0.901 62.3 174.1 -37.8 -67.3 7.6 7.3 -26.0 45 45 A T - 0 0 104 1,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.677 11.5-158.4 58.4 130.2 5.6 10.3 -24.8 46 46 A E - 0 0 148 1,-0.1 -1,-0.1 2,-0.0 -2,-0.0 -0.952 8.4-135.8-139.3 158.2 4.4 10.4 -21.2 47 47 A S - 0 0 59 -2,-0.3 -1,-0.1 2,-0.0 -2,-0.0 0.125 10.6-138.0 -91.5-151.8 1.8 12.1 -19.1 48 48 A E + 0 0 131 113,-0.1 2,-0.2 114,-0.0 112,-0.0 -0.053 63.7 79.7-170.5 50.3 2.0 13.8 -15.7 49 89 A A S > S- 0 0 48 113,-0.0 4,-3.0 112,-0.0 5,-0.2 -0.425 98.5 -32.9-135.7-149.5 -1.0 12.9 -13.5 50 90 A V H > S+ 0 0 17 1,-0.2 4,-3.8 2,-0.2 5,-0.4 0.904 128.3 59.0 -41.4 -57.3 -2.3 10.1 -11.3 51 91 A K H > S+ 0 0 93 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.911 115.2 31.8 -38.1 -72.2 -0.6 7.4 -13.5 52 92 A Q H > S+ 0 0 50 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.933 123.4 49.5 -55.1 -50.7 2.9 8.7 -13.1 53 93 A A H X S+ 0 0 1 -4,-3.0 4,-2.1 1,-0.2 5,-0.3 0.972 108.5 50.8 -53.3 -63.6 2.3 10.0 -9.5 54 94 A L H X S+ 0 0 13 -4,-3.8 4,-2.0 -5,-0.2 -1,-0.2 0.906 111.5 49.0 -40.3 -59.9 0.7 6.8 -8.2 55 95 A R H >X S+ 0 0 69 -4,-2.0 4,-1.8 -5,-0.4 3,-1.2 0.955 109.9 49.4 -46.2 -69.7 3.6 4.7 -9.5 56 96 A E H >X S+ 0 0 102 -4,-2.0 4,-2.5 1,-0.3 3,-0.7 0.888 110.3 50.1 -35.5 -66.4 6.4 6.8 -8.0 57 97 A A H 3X S+ 0 0 23 -4,-2.1 4,-1.9 1,-0.3 -1,-0.3 0.843 108.7 55.9 -44.5 -39.6 4.8 7.0 -4.6 58 98 A G H < S+ 0 0 106 -4,-0.5 3,-0.7 -5,-0.2 -2,-0.2 0.946 117.5 27.0 -82.2 -55.9 11.7 2.2 0.1 64 104 A R H 3< S+ 0 0 182 -4,-2.8 3,-0.2 1,-0.2 -2,-0.2 0.887 136.6 33.6 -73.8 -40.7 10.9 4.3 3.2 65 105 A Y T 3X S+ 0 0 136 -4,-3.4 4,-2.0 -5,-0.4 5,-0.3 -0.320 72.4 143.4-110.7 48.0 8.5 1.8 4.7 66 106 A R H <> S+ 0 0 168 -3,-0.7 4,-1.7 1,-0.2 -1,-0.2 0.859 83.7 34.9 -53.7 -37.5 10.3 -1.4 3.5 67 107 A R H > S+ 0 0 215 -3,-0.2 4,-2.4 2,-0.2 5,-0.4 0.895 111.4 58.9 -83.9 -45.6 9.3 -3.0 6.8 68 108 A A H 4 S+ 0 0 54 1,-0.2 -2,-0.2 2,-0.2 4,-0.2 0.769 116.5 38.3 -55.0 -26.0 6.0 -1.3 7.3 69 109 A F H >X S+ 0 0 26 -4,-2.0 4,-2.4 2,-0.1 3,-1.1 0.913 112.8 51.8 -89.7 -55.4 5.0 -2.9 3.9 70 110 A S H 3X S+ 0 0 54 -4,-1.7 4,-1.3 -5,-0.3 -2,-0.2 0.927 109.0 51.3 -46.6 -56.3 6.7 -6.3 4.1 71 111 A D H 3< S+ 0 0 106 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.1 0.784 111.7 51.3 -54.3 -27.7 5.1 -7.0 7.5 72 112 A L H X4 S+ 0 0 43 -3,-1.1 3,-3.5 -5,-0.4 4,-0.5 0.963 103.2 53.1 -74.8 -55.3 1.8 -6.1 5.9 73 113 A T H 3< S+ 0 0 22 -4,-2.4 3,-0.4 1,-0.3 -1,-0.2 0.710 107.5 56.9 -53.3 -19.7 2.0 -8.3 2.8 74 114 A S T 3< S+ 0 0 96 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.283 91.0 72.8 -95.3 8.9 2.6 -11.1 5.3 75 115 A Q S < S+ 0 0 126 -3,-3.5 2,-0.4 1,-0.2 -1,-0.2 0.598 101.3 39.5 -96.1 -15.3 -0.7 -10.3 7.2 76 116 A L - 0 0 15 -4,-0.5 2,-0.8 -3,-0.4 -1,-0.2 -0.967 63.1-161.1-141.1 122.7 -2.9 -11.8 4.4 77 117 A H - 0 0 112 -2,-0.4 -3,-0.1 -3,-0.1 -4,-0.0 -0.822 20.9-147.8-105.1 94.9 -2.3 -14.9 2.4 78 118 A I + 0 0 15 -2,-0.8 48,-0.1 4,-0.1 -2,-0.0 -0.321 28.8 158.1 -62.8 140.2 -4.5 -14.7 -0.7 79 119 A T > - 0 0 52 1,-0.1 3,-1.8 47,-0.1 39,-0.0 -0.966 56.0 -95.3-156.1 166.2 -5.8 -18.0 -2.1 80 120 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.837 127.2 46.1 -55.7 -34.8 -8.6 -19.4 -4.3 81 121 A G T 3 S+ 0 0 73 2,-0.1 2,-0.1 -3,-0.0 -3,-0.0 0.476 88.0 119.0 -87.8 -2.2 -10.7 -20.1 -1.2 82 122 A T < - 0 0 25 -3,-1.8 2,-0.4 1,-0.1 -4,-0.1 -0.407 61.2-133.5 -66.5 136.7 -9.9 -16.7 0.2 83 123 A A >> - 0 0 57 1,-0.1 3,-0.9 -2,-0.1 4,-0.9 -0.771 14.0-126.1 -96.0 136.2 -13.0 -14.6 0.8 84 124 A Y H 3> S+ 0 0 89 -2,-0.4 4,-2.3 1,-0.3 3,-0.4 0.764 110.8 65.5 -47.9 -25.4 -13.1 -10.9 -0.3 85 125 A Q H 3> S+ 0 0 131 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.964 91.9 56.3 -63.0 -54.0 -14.0 -10.3 3.4 86 126 A S H <> S+ 0 0 42 -3,-0.9 4,-1.2 1,-0.2 -1,-0.2 0.732 112.0 48.8 -50.9 -21.8 -10.7 -11.4 4.7 87 127 A F H X S+ 0 0 6 -4,-0.9 4,-2.1 -3,-0.4 5,-0.3 0.954 105.8 49.5 -82.7 -60.8 -9.3 -8.8 2.4 88 128 A E H X S+ 0 0 44 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.708 110.4 59.7 -52.7 -18.8 -11.4 -5.7 3.2 89 129 A Q H >X S+ 0 0 125 -4,-1.8 4,-1.7 -5,-0.2 3,-0.9 0.986 104.7 41.5 -73.4 -64.5 -10.6 -6.6 6.8 90 130 A V H 3X S+ 0 0 28 -4,-1.2 4,-1.6 1,-0.3 -2,-0.2 0.878 116.7 50.4 -51.4 -43.0 -6.8 -6.3 6.7 91 131 A V H 3< S+ 0 0 0 -4,-2.1 4,-0.4 1,-0.2 -1,-0.3 0.787 104.7 61.0 -67.5 -26.8 -7.0 -3.2 4.5 92 132 A N H X< S+ 0 0 58 -3,-0.9 3,-1.1 -4,-0.7 4,-0.3 0.951 102.5 47.8 -64.9 -51.6 -9.5 -1.7 7.0 93 133 A E H >X S+ 0 0 110 -4,-1.7 3,-2.2 1,-0.3 4,-0.6 0.946 109.5 52.1 -55.0 -52.0 -7.1 -1.8 10.0 94 134 A L T 3< S+ 0 0 39 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.677 119.5 39.1 -59.0 -15.1 -4.3 -0.1 8.0 95 135 A F T <4 S+ 0 0 6 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.3 0.293 88.0 98.3-115.2 4.4 -7.0 2.4 7.2 96 136 A R T <4 S+ 0 0 171 -3,-2.2 2,-2.2 -4,-0.3 -2,-0.2 0.911 70.5 69.7 -59.2 -45.1 -8.6 2.5 10.6 97 137 A D S < S- 0 0 99 -4,-0.6 -1,-0.2 1,-0.1 -4,-0.0 -0.491 119.5 -84.1 -77.2 76.5 -6.7 5.7 11.6 98 138 A G - 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