==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER APOPTOSIS 03-SEP-12 2LXW . COMPND 2 MOLECULE: XIAP-ASSOCIATED FACTOR 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.TSE,C.CHO,X.GUAN,K.SZE . 55 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6270.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 24 43.6 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 . 3 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.8 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 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 27.3 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+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 0 0 0 0 0 0 0 0 1 0 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 123 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.8 20.8 -17.6 0.5 2 2 A S + 0 0 119 2,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.122 360.0 136.0-130.9 28.9 18.9 -14.8 2.4 3 3 A E - 0 0 150 1,-0.1 2,-0.2 3,-0.0 3,-0.1 -0.087 40.4-139.5 -64.5 174.8 21.5 -14.1 5.2 4 4 A F S S+ 0 0 175 1,-0.1 -1,-0.1 2,-0.0 -2,-0.0 -0.699 71.5 55.2-130.5 179.7 22.6 -10.6 6.4 5 5 A T S S+ 0 0 151 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 0.884 76.9 112.2 57.8 41.7 25.9 -8.8 7.5 6 6 A S + 0 0 91 -3,-0.1 -1,-0.1 2,-0.1 -3,-0.0 0.135 51.3 89.6-129.1 15.2 27.5 -9.8 4.1 7 7 A S S S- 0 0 89 1,-0.0 2,-0.3 0, 0.0 -3,-0.0 -0.777 85.3 -87.5-119.1 156.1 27.9 -6.4 2.4 8 8 A P + 0 0 135 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.500 62.0 143.2 -69.0 127.7 30.7 -3.7 2.3 9 9 A R - 0 0 182 -2,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.948 51.4 -67.5-155.2 166.3 30.4 -1.2 5.3 10 10 A G - 0 0 73 -2,-0.3 2,-0.4 1,-0.1 -1,-0.0 -0.152 46.3-123.8 -59.6 156.5 32.7 0.8 7.7 11 11 A D + 0 0 168 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.893 41.2 144.1-111.6 131.4 34.8 -1.0 10.4 12 12 A K - 0 0 132 -2,-0.4 3,-0.1 0, 0.0 0, 0.0 -0.950 43.6-141.2-154.1 168.2 34.6 -0.2 14.2 13 13 A A S S+ 0 0 100 -2,-0.3 -2,-0.0 1,-0.1 3,-0.0 0.016 94.0 61.7-124.2 21.9 34.8 -1.9 17.6 14 14 A A >> + 0 0 37 2,-0.1 4,-1.5 1,-0.0 3,-0.8 0.153 59.8 111.5-134.2 12.5 32.0 0.0 19.5 15 15 A Y T 34 S+ 0 0 181 1,-0.2 -2,-0.0 2,-0.2 -1,-0.0 0.560 73.9 64.5 -68.2 -7.6 28.9 -0.8 17.4 16 16 A D T 34 S+ 0 0 128 1,-0.1 -1,-0.2 3,-0.1 -2,-0.1 0.761 104.2 41.8 -86.1 -30.7 27.6 -2.9 20.4 17 17 A I T <4 S+ 0 0 97 -3,-0.8 -2,-0.2 2,-0.0 -1,-0.1 0.886 105.3 76.4 -82.4 -42.1 27.2 0.2 22.8 18 18 A L S < S- 0 0 46 -4,-1.5 2,-0.3 9,-0.1 12,-0.1 -0.265 71.8-147.9 -62.2 154.3 25.7 2.5 20.1 19 19 A R E -A 28 0A 154 9,-2.5 9,-2.3 2,-0.0 2,-0.3 -0.969 8.9-159.2-126.6 143.8 22.1 2.1 19.0 20 20 A R E -A 27 0A 176 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.865 14.4-129.3-124.7 155.1 20.6 2.7 15.5 21 21 A C >> - 0 0 29 5,-1.1 4,-2.8 -2,-0.3 3,-1.4 -0.924 6.9-148.6-113.7 117.2 17.0 3.4 14.2 22 22 A S T 34 S+ 0 0 134 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.612 101.3 38.2 -60.8 -14.3 15.7 1.3 11.3 23 23 A Q T 34 S+ 0 0 167 3,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.430 125.5 34.4-115.3 -2.1 13.6 4.3 10.0 24 24 A C T <4 S- 0 0 56 -3,-1.4 -2,-0.2 2,-0.1 3,-0.1 0.603 82.0-144.3-128.1 -27.4 16.0 7.2 10.7 25 25 A G < + 0 0 60 -4,-2.8 2,-0.1 1,-0.2 -3,-0.1 0.359 55.5 128.2 73.7 -3.4 19.6 5.8 10.1 26 26 A I - 0 0 82 -5,-0.1 -5,-1.1 1,-0.0 2,-0.4 -0.433 50.4-139.5 -77.4 156.2 21.2 7.9 13.0 27 27 A L E -A 20 0A 79 -7,-0.2 -7,-0.2 -2,-0.1 -9,-0.1 -0.985 19.8-179.2-122.5 130.7 23.4 6.4 15.8 28 28 A L E -A 19 0A 17 -9,-2.3 -9,-2.5 -2,-0.4 0, 0.0 -0.916 24.5-139.9-127.1 150.9 23.2 7.4 19.5 29 29 A P - 0 0 52 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.995 59.8 -77.2 -74.4 -67.3 25.2 6.2 22.6 30 30 A L S > S+ 0 0 121 -12,-0.1 4,-0.6 -11,-0.0 -2,-0.0 0.180 118.7 47.7-166.5 -57.1 22.6 6.0 25.5 31 31 A P T >4 S+ 0 0 88 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.902 115.4 46.6 -72.3 -36.5 21.5 9.4 27.1 32 32 A I T >> S+ 0 0 91 1,-0.2 4,-1.3 2,-0.2 3,-0.8 0.796 98.3 73.0 -72.3 -25.8 20.9 11.2 23.7 33 33 A L H 3> S+ 0 0 26 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.824 85.0 67.4 -56.2 -31.1 18.9 8.0 22.5 34 34 A N H S+ 0 0 151 -3,-0.8 4,-2.1 -4,-0.4 -1,-0.2 0.909 113.1 46.8 -63.6 -41.6 15.5 12.2 22.7 36 36 A H H X S+ 0 0 21 -4,-1.3 4,-3.1 2,-0.2 5,-0.4 0.957 110.0 53.5 -62.8 -49.2 15.3 10.0 19.6 37 37 A Q H X S+ 0 0 107 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.896 112.4 44.0 -54.5 -45.8 13.0 7.5 21.3 38 38 A E H X S+ 0 0 131 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.939 119.7 40.4 -64.9 -47.8 10.5 10.2 22.2 39 39 A K H X S+ 0 0 113 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.926 116.7 47.8 -69.8 -45.7 10.5 12.0 18.8 40 40 A C H X S+ 0 0 27 -4,-3.1 4,-2.7 -5,-0.2 -3,-0.2 0.905 114.1 49.0 -62.9 -41.9 10.6 8.8 16.7 41 41 A R H X S+ 0 0 160 -4,-1.9 4,-2.5 -5,-0.4 5,-0.2 0.920 110.3 50.7 -59.9 -47.6 7.7 7.4 18.8 42 42 A W H X S+ 0 0 181 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.939 113.7 44.7 -60.6 -46.5 5.7 10.6 18.4 43 43 A L H X S+ 0 0 92 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.944 113.8 48.9 -59.5 -50.8 6.2 10.5 14.6 44 44 A A H < S+ 0 0 61 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.862 114.5 46.2 -61.2 -36.9 5.4 6.7 14.3 45 45 A S H < S+ 0 0 103 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.905 114.6 47.0 -69.0 -42.9 2.2 7.3 16.5 46 46 A S H < S+ 0 0 77 -4,-2.5 2,-2.2 -5,-0.2 -2,-0.2 0.825 94.1 80.0 -67.7 -33.5 1.1 10.4 14.4 47 47 A K < + 0 0 175 -4,-2.4 2,-0.5 -5,-0.2 -1,-0.2 -0.376 60.4 132.9 -75.2 60.0 1.8 8.5 11.1 48 48 A G + 0 0 50 -2,-2.2 2,-0.3 -3,-0.1 3,-0.2 -0.783 23.6 144.7-121.1 82.0 -1.6 6.6 11.3 49 49 A K + 0 0 164 -2,-0.5 -2,-0.0 1,-0.1 -3,-0.0 -0.846 59.4 18.5-122.3 157.2 -3.4 6.8 7.9 50 50 A Q S S+ 0 0 173 -2,-0.3 -1,-0.1 1,-0.2 2,-0.1 0.706 85.6 165.1 52.2 25.5 -5.7 4.4 5.9 51 51 A V + 0 0 109 -3,-0.2 2,-0.3 2,-0.0 -1,-0.2 -0.411 13.0 171.3 -69.7 144.0 -6.2 2.5 9.3 52 52 A R + 0 0 227 -2,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.865 8.6 147.0-157.8 120.8 -9.1 -0.0 9.7 53 53 A N + 0 0 131 -2,-0.3 2,-0.3 0, 0.0 -2,-0.0 -0.907 10.7 144.5-157.1 128.2 -9.8 -2.5 12.6 54 54 A F 0 0 206 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.968 360.0 360.0-155.3 163.0 -13.1 -3.8 14.0 55 55 A S 0 0 195 -2,-0.3 -1,-0.1 0, 0.0 0, 0.0 0.722 360.0 360.0 -95.1 360.0 -14.7 -7.0 15.6