==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 03-DEC-09 3KXE . COMPND 2 MOLECULE: TOXIN PROTEIN PARE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: CAULOBACTER CRESCENTUS NA1000; . AUTHOR S.CROSSON,K.DALTON . 337 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16484.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 15.1 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 15 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 47.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 1 0 0 1 1 1 0 0 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 0 4 2 0 1 1 2 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 1 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 2 A K 0 0 185 0, 0.0 2,-0.1 0, 0.0 44,-0.1 0.000 360.0 360.0 360.0 -70.2 -15.7 -36.0 26.5 2 3 A P + 0 0 69 0, 0.0 76,-0.6 0, 0.0 2,-0.3 -0.372 360.0 161.1 -81.0 142.1 -19.2 -34.5 27.1 3 4 A Y E -a 78 0A 18 248,-0.3 250,-0.3 74,-0.1 2,-0.2 -0.959 32.6-125.2-142.3 158.1 -20.5 -31.3 25.5 4 5 A R E -a 79 0A 58 74,-2.6 76,-2.0 -2,-0.3 2,-0.3 -0.656 21.0-154.1 -98.3 163.5 -24.0 -29.9 25.1 5 6 A L E -aB 80 250A 0 245,-1.9 245,-2.4 -2,-0.2 76,-0.1 -0.945 14.4-126.9-149.1 111.4 -25.2 -28.9 21.6 6 7 A S E > - B 0 249A 0 74,-2.4 4,-2.6 -2,-0.3 243,-0.2 -0.229 17.7-125.4 -67.7 149.7 -27.8 -26.3 20.9 7 8 A R H > S+ 0 0 148 241,-1.6 4,-2.9 2,-0.2 5,-0.2 0.917 114.6 51.5 -59.7 -42.0 -30.8 -27.2 18.8 8 9 A R H > S+ 0 0 58 236,-0.3 4,-2.6 240,-0.3 -1,-0.2 0.951 107.9 52.1 -58.3 -49.0 -30.0 -24.2 16.5 9 10 A A H > S+ 0 0 0 72,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.899 109.5 49.5 -52.1 -46.0 -26.4 -25.5 16.2 10 11 A K H X S+ 0 0 57 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.897 107.7 53.4 -62.8 -38.9 -27.9 -28.9 15.3 11 12 A A H X S+ 0 0 30 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.871 105.1 58.1 -59.3 -33.9 -30.1 -27.1 12.7 12 13 A D H X S+ 0 0 11 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.909 105.0 46.7 -62.5 -43.6 -26.8 -25.6 11.5 13 14 A L H X S+ 0 0 5 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.881 110.8 54.1 -64.1 -38.1 -25.3 -29.1 10.8 14 15 A D H X S+ 0 0 41 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.897 112.7 42.3 -60.3 -44.2 -28.5 -30.0 9.1 15 16 A D H X S+ 0 0 92 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.841 112.7 54.0 -74.6 -36.6 -28.2 -27.0 6.8 16 17 A I H X S+ 0 0 16 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.950 110.0 47.3 -62.2 -42.2 -24.6 -27.6 6.4 17 18 A W H X S+ 0 0 3 -4,-3.0 4,-2.7 2,-0.2 5,-0.3 0.920 110.2 53.4 -64.4 -43.1 -25.3 -31.1 5.3 18 19 A T H X S+ 0 0 70 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.980 110.8 43.8 -56.1 -62.3 -28.0 -30.0 2.9 19 20 A Y H X S+ 0 0 133 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.909 117.5 46.7 -47.8 -50.4 -25.8 -27.4 1.0 20 21 A S H X S+ 0 0 7 -4,-2.2 4,-2.6 -5,-0.2 5,-0.3 0.844 111.4 48.9 -60.8 -43.1 -22.8 -29.9 0.8 21 22 A E H X S+ 0 0 59 -4,-2.7 4,-2.2 3,-0.2 -1,-0.2 0.878 116.1 45.8 -67.0 -36.4 -24.8 -32.9 -0.3 22 23 A Q H < S+ 0 0 157 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.920 118.9 39.0 -73.1 -45.0 -26.4 -30.7 -3.0 23 24 A R H < S+ 0 0 135 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.824 140.2 6.5 -73.9 -32.4 -23.2 -29.0 -4.1 24 25 A W H < S- 0 0 71 -4,-2.6 4,-0.5 -5,-0.2 -3,-0.2 0.409 99.4-105.8-137.8 -2.0 -21.0 -32.2 -3.9 25 26 A G X - 0 0 29 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 -0.180 47.5 -66.1 94.5 170.2 -22.9 -35.5 -3.1 26 27 A V H > S+ 0 0 45 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.911 124.8 58.9 -67.7 -47.6 -23.1 -37.6 0.1 27 28 A E H > S+ 0 0 137 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.951 114.2 38.3 -41.2 -62.6 -19.5 -38.8 0.3 28 29 A Q H > S+ 0 0 49 -4,-0.5 4,-2.9 1,-0.2 5,-0.2 0.892 113.8 54.8 -62.0 -44.7 -18.2 -35.2 0.4 29 30 A A H X S+ 0 0 2 -4,-2.0 4,-1.6 -9,-0.2 -1,-0.2 0.902 112.0 46.0 -49.8 -45.5 -21.1 -34.0 2.7 30 31 A A H X S+ 0 0 3 -4,-3.3 4,-2.2 2,-0.2 -2,-0.2 0.905 110.9 51.7 -69.6 -43.3 -20.1 -36.9 5.1 31 32 A D H X S+ 0 0 44 -4,-2.7 4,-1.5 -5,-0.3 -2,-0.2 0.954 110.6 47.9 -55.6 -50.0 -16.4 -36.0 4.9 32 33 A Y H X S+ 0 0 16 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.877 110.2 53.8 -62.9 -36.8 -17.0 -32.3 5.7 33 34 A A H X S+ 0 0 7 -4,-1.6 4,-3.0 -5,-0.2 -1,-0.2 0.890 103.0 54.2 -65.0 -42.8 -19.3 -33.3 8.6 34 35 A R H X S+ 0 0 114 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.855 107.0 54.6 -60.4 -30.9 -16.7 -35.6 10.2 35 36 A E H X S+ 0 0 29 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.897 107.9 46.6 -70.5 -39.5 -14.4 -32.5 10.1 36 37 A L H X S+ 0 0 2 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.945 112.2 52.8 -64.3 -40.9 -17.0 -30.5 12.0 37 38 A Q H X S+ 0 0 20 -4,-3.0 4,-3.8 2,-0.2 5,-0.2 0.939 109.9 47.0 -55.6 -49.8 -17.2 -33.4 14.3 38 39 A A H X S+ 0 0 27 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.927 111.6 50.2 -62.7 -46.6 -13.4 -33.5 14.9 39 40 A T H X S+ 0 0 4 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.886 116.1 43.4 -52.4 -44.7 -13.3 -29.7 15.5 40 41 A I H >X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 3,-1.0 0.963 111.1 52.2 -73.3 -50.8 -16.1 -30.0 17.9 41 42 A E H 3X S+ 0 0 83 -4,-3.8 4,-1.7 1,-0.3 -1,-0.2 0.811 110.9 50.5 -55.8 -27.0 -14.8 -33.1 19.7 42 43 A X H 3X S+ 0 0 19 -4,-2.0 4,-3.0 -5,-0.2 -1,-0.3 0.765 106.0 53.3 -83.4 -24.3 -11.5 -31.2 20.1 43 44 A I H << S+ 0 0 2 -4,-1.1 -2,-0.2 -3,-1.0 -1,-0.2 0.893 108.1 52.9 -70.9 -41.6 -13.2 -28.2 21.6 44 45 A A H < S+ 0 0 12 -4,-2.5 -2,-0.2 2,-0.1 -1,-0.2 0.934 117.3 37.4 -56.6 -49.3 -14.8 -30.6 24.0 45 46 A E H < S+ 0 0 105 -4,-1.7 -2,-0.2 1,-0.2 3,-0.2 0.986 131.3 26.1 -67.2 -60.1 -11.3 -32.0 25.0 46 47 A H >< + 0 0 30 -4,-3.0 3,-1.6 1,-0.2 4,-0.5 -0.634 69.0 164.0-111.5 74.9 -9.3 -28.8 24.8 47 48 A P G > S+ 0 0 43 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.898 70.5 61.9 -60.4 -43.0 -11.8 -26.1 25.5 48 49 A G G 3 S+ 0 0 38 1,-0.2 -5,-0.1 -3,-0.2 -2,-0.1 0.535 89.3 71.7 -62.2 -10.5 -9.1 -23.5 26.3 49 50 A X G < S+ 0 0 20 -3,-1.6 -1,-0.2 -7,-0.2 -6,-0.1 0.803 71.7 98.1 -79.3 -32.6 -7.6 -23.6 22.8 50 51 A G S < S- 0 0 4 -3,-1.3 13,-0.2 -4,-0.5 112,-0.1 -0.281 87.7-107.6 -52.9 139.0 -10.4 -21.9 21.0 51 52 A Q E -C 62 0A 71 11,-1.5 11,-2.7 110,-0.1 -1,-0.1 -0.566 36.8-125.0 -69.9 125.1 -9.6 -18.2 20.4 52 53 A P E -C 61 0A 73 0, 0.0 9,-0.3 0, 0.0 3,-0.1 -0.440 20.6-169.1 -65.8 148.9 -11.8 -16.0 22.8 53 54 A D >> + 0 0 28 7,-3.0 4,-1.9 4,-0.3 3,-0.6 -0.527 22.1 158.4-130.8 71.9 -14.0 -13.3 21.5 54 55 A E T 34 S+ 0 0 123 1,-0.3 -1,-0.1 2,-0.2 7,-0.1 0.740 72.7 55.1 -67.2 -29.0 -14.9 -11.5 24.7 55 56 A N T 34 S+ 0 0 64 37,-0.1 38,-0.3 1,-0.1 -1,-0.3 0.772 106.7 53.5 -74.3 -26.4 -15.8 -8.2 22.9 56 57 A L T <4 S- 0 0 5 -3,-0.6 2,-0.3 1,-0.3 -2,-0.2 0.991 134.1 -26.5 -67.4 -60.8 -18.2 -10.1 20.7 57 58 A R S >< S- 0 0 75 -4,-1.9 3,-1.7 3,-0.1 -1,-0.3 -0.977 78.1 -88.1-156.3 139.2 -20.1 -11.7 23.5 58 59 A A T 3 S+ 0 0 66 -2,-0.3 -4,-0.1 1,-0.2 -3,-0.1 -0.189 107.5 7.4 -50.3 130.2 -19.2 -12.6 27.1 59 60 A G T 3 S+ 0 0 40 1,-0.2 15,-0.6 14,-0.1 2,-0.3 0.458 95.5 143.6 84.0 4.7 -17.7 -16.1 27.6 60 61 A Y E < + D 0 73A 2 -3,-1.7 -7,-3.0 -7,-0.3 2,-0.3 -0.552 26.4 179.5 -93.4 140.2 -17.3 -16.9 23.9 61 62 A R E -CD 52 72A 72 11,-3.4 11,-3.0 -9,-0.3 2,-0.4 -0.974 12.1-152.1-128.6 147.8 -14.7 -18.8 21.9 62 63 A R E -CD 51 71A 20 -11,-2.7 -11,-1.5 -2,-0.3 2,-0.3 -0.923 10.7-178.8-120.0 146.7 -14.5 -19.5 18.2 63 64 A C E - D 0 70A 7 7,-1.5 7,-2.3 -2,-0.4 99,-0.2 -0.925 23.0-135.9-144.8 115.0 -12.8 -22.5 16.5 64 65 A A E -ED 161 69A 6 97,-3.1 97,-2.5 -2,-0.3 2,-0.3 -0.352 19.6-178.4 -79.0 150.8 -12.8 -22.7 12.7 65 66 A S E > -ED 160 68A 3 3,-3.1 3,-2.9 95,-0.2 2,-0.4 -0.913 59.7 -52.7-148.6 119.5 -13.5 -25.8 10.5 66 67 A G E 3 S-E 159 0A 5 93,-1.7 93,-2.4 -2,-0.3 80,-0.1 -0.358 124.0 -15.0 56.9-111.0 -13.3 -25.7 6.7 67 68 A S T 3 S+ 0 0 14 -2,-0.4 19,-2.3 91,-0.2 -1,-0.3 0.306 128.9 74.4 -99.6 1.4 -15.6 -22.8 5.6 68 69 A H E < -DF 65 85A 27 -3,-2.9 -3,-3.1 17,-0.3 2,-0.4 -0.654 65.2-140.8-121.3 170.9 -17.2 -22.5 9.0 69 70 A V E -DF 64 84A 6 15,-2.8 15,-2.3 -5,-0.3 2,-0.6 -0.995 13.2-141.6-134.5 132.1 -16.7 -21.3 12.5 70 71 A V E -DF 63 83A 0 -7,-2.3 -7,-1.5 -2,-0.4 2,-0.5 -0.869 15.1-159.6 -98.2 122.5 -17.8 -23.0 15.7 71 72 A F E +DF 62 82A 1 11,-2.8 10,-2.2 -2,-0.6 11,-1.3 -0.869 24.5 155.4-105.1 128.4 -18.9 -20.6 18.4 72 73 A Y E -DF 61 80A 0 -11,-3.0 -11,-3.4 -2,-0.5 2,-0.3 -0.965 25.4-164.1-146.5 160.9 -18.9 -22.0 21.9 73 74 A R E -DF 60 79A 68 6,-2.1 6,-3.4 -2,-0.3 2,-0.5 -0.928 22.1-123.3-138.2 168.4 -18.8 -21.1 25.5 74 75 A V E + F 0 78A 79 -15,-0.6 4,-0.2 -2,-0.3 2,-0.1 -0.960 37.4 148.6-123.6 118.7 -18.1 -23.0 28.7 75 76 A G S S- 0 0 45 2,-1.9 3,-0.1 -2,-0.5 4,-0.0 0.152 86.0 -31.7-105.6-130.7 -20.4 -23.2 31.7 76 77 A V S S+ 0 0 137 1,-0.1 2,-0.3 -2,-0.1 -2,-0.0 0.680 143.0 6.7 -71.9 -16.6 -20.5 -26.3 33.9 77 78 A R S S- 0 0 120 -4,-0.0 -2,-1.9 -73,-0.0 2,-0.2 -0.957 103.8 -72.4-149.1 174.3 -19.7 -28.0 30.6 78 79 A V E -aF 3 74A 8 -76,-0.6 -74,-2.6 -2,-0.3 2,-0.6 -0.408 45.3-157.8 -67.9 128.7 -18.8 -27.0 27.0 79 80 A E E -aF 4 73A 16 -6,-3.4 -6,-2.1 -76,-0.2 2,-0.8 -0.934 7.9-152.0-115.6 114.7 -21.7 -25.5 25.1 80 81 A I E +aF 5 72A 0 -76,-2.0 -74,-2.4 -2,-0.6 -8,-0.2 -0.730 22.2 173.7 -81.0 111.6 -21.7 -25.5 21.3 81 82 A I E - 0 0 0 -10,-2.2 -72,-0.5 -2,-0.8 2,-0.3 0.945 53.9 -7.9 -91.3 -55.9 -23.9 -22.5 20.4 82 83 A R E - F 0 71A 17 -11,-1.3 -11,-2.8 -74,-0.1 2,-0.5 -0.980 44.2-151.2-140.7 152.0 -23.8 -21.9 16.7 83 84 A V E + F 0 70A 3 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.971 38.2 172.9-120.1 110.7 -21.9 -23.3 13.7 84 85 A L E - F 0 69A 9 -15,-2.3 -15,-2.8 -2,-0.5 5,-0.1 -0.864 35.8 -95.5-124.8 152.0 -21.8 -20.4 11.2 85 86 A H E > - F 0 68A 53 -2,-0.3 3,-2.6 -17,-0.2 4,-0.4 -0.356 33.0-121.1 -58.4 139.4 -20.2 -19.5 7.9 86 87 A Q T 3 S+ 0 0 35 -19,-2.3 3,-0.4 1,-0.3 -1,-0.1 0.615 110.0 75.7 -54.6 -14.4 -17.0 -17.5 8.0 87 88 A S T 3 S+ 0 0 64 -20,-0.3 -1,-0.3 1,-0.2 -19,-0.1 0.666 89.0 59.8 -75.8 -13.4 -18.9 -14.9 6.0 88 89 A X S < S+ 0 0 66 -3,-2.6 -1,-0.2 148,-0.0 149,-0.2 0.766 80.8 113.3 -80.0 -29.9 -20.7 -14.1 9.2 89 90 A N + 0 0 39 -3,-0.4 2,-0.3 -4,-0.4 145,-0.1 0.020 39.6 169.9 -45.4 146.5 -17.4 -13.1 11.0 90 91 A A - 0 0 12 143,-0.1 2,-0.4 144,-0.1 -2,-0.0 -0.967 41.1 -96.1-156.5 150.7 -16.9 -9.5 12.0 91 92 A R - 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