==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 03-NOV-11 3J0R . COMPND 2 MOLECULE: PROTEIN MXIH; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI; . AUTHOR T.FUJII,M.CHEUNG,A.BLANCO,T.KATO,A.J.BLOCKER,K.NAMBA . 82 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6015.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 63 76.8 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 . 5 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 65.9 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 2 A S 0 0 124 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-144.7 10.5 -8.1 -34.0 2 3 A V > + 0 0 108 1,-0.2 4,-1.0 2,-0.2 0, 0.0 0.883 360.0 65.5 -63.9 -36.8 8.0 -6.8 -31.6 3 4 A T H >> S+ 0 0 89 1,-0.2 4,-1.3 2,-0.2 3,-0.9 0.867 92.7 58.3 -59.0 -42.3 7.5 -10.4 -30.7 4 5 A V H >> S+ 0 0 77 1,-0.3 4,-1.6 2,-0.2 3,-1.2 0.944 103.3 48.4 -58.3 -53.1 11.0 -10.9 -29.3 5 6 A P H 3> S+ 0 0 50 0, 0.0 4,-3.2 0, 0.0 -1,-0.3 0.735 102.3 68.0 -64.8 -18.0 10.9 -8.2 -26.6 6 7 A N H > - 0 0 66 -3,-0.3 4,-0.9 1,-0.2 3,-0.7 -0.717 63.7-167.6 -91.2 113.0 5.6 -25.6 21.8 43 44 A P H 3> S+ 0 0 87 0, 0.0 4,-3.0 0, 0.0 6,-0.2 0.715 80.8 73.6 -65.3 -23.9 7.2 -28.4 20.0 44 45 A Q H 3> S+ 0 0 114 1,-0.3 4,-3.7 2,-0.3 5,-0.3 0.915 92.3 53.6 -63.3 -39.6 4.8 -28.0 17.2 45 46 A L H <> S+ 0 0 32 -3,-0.7 4,-2.2 1,-0.3 -1,-0.3 0.924 112.5 45.3 -59.9 -41.1 6.6 -24.9 16.1 46 47 A L H X S+ 0 0 82 -4,-0.9 4,-2.8 2,-0.2 -1,-0.3 0.903 110.0 54.6 -63.6 -41.0 9.7 -27.0 16.1 47 48 A A H < S+ 0 0 45 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.946 113.7 40.7 -61.9 -43.9 7.9 -29.8 14.3 48 49 A E H < S+ 0 0 89 -4,-3.7 -1,-0.3 1,-0.2 -2,-0.2 0.873 108.6 65.8 -63.8 -35.6 6.9 -27.3 11.7 49 50 A Y H < S+ 0 0 57 -4,-2.2 15,-0.8 -5,-0.3 2,-0.7 0.927 106.5 39.9 -58.2 -48.2 10.4 -26.0 12.0 50 51 A Q S < S+ 0 0 126 -4,-2.8 2,-0.3 14,-0.1 -1,-0.2 -0.879 83.8 110.4-106.7 119.6 11.8 -29.2 10.7 51 52 A S - 0 0 43 -2,-0.7 10,-0.4 10,-0.3 2,-0.2 -0.976 61.1-105.4-165.7 168.2 10.1 -30.9 7.9 52 53 A K - 0 0 106 -2,-0.3 2,-0.6 8,-0.1 7,-0.2 -0.600 35.8-129.7 -85.1 161.0 10.4 -31.8 4.3 53 54 A L - 0 0 35 -2,-0.2 2,-0.3 5,-0.1 7,-0.1 -0.927 20.6-174.6-114.1 112.6 8.3 -29.9 1.9 54 55 A S - 0 0 47 -2,-0.6 4,-0.1 1,-0.2 6,-0.0 -0.722 36.9-121.8 -80.8 153.8 6.2 -31.7 -0.5 55 56 A E S S+ 0 0 174 -2,-0.3 -1,-0.2 2,-0.1 5,-0.1 0.999 101.8 19.0 -64.3 -60.9 4.7 -29.1 -2.6 56 57 A Y S S+ 0 0 199 1,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.990 133.6 37.2 -70.4 -56.6 1.1 -29.9 -1.9 57 58 A T S S+ 0 0 87 -4,-0.1 -1,-0.1 2,-0.1 -2,-0.1 0.941 106.1 62.9 -67.2 -49.7 1.3 -32.0 1.1 58 59 A L S S- 0 0 57 -4,-0.1 2,-0.6 1,-0.1 -5,-0.1 -0.309 72.9-128.4 -88.5 158.0 3.9 -30.4 3.2 59 60 A Y - 0 0 174 -7,-0.2 2,-0.2 -2,-0.0 -1,-0.1 -0.892 39.6-124.0 -91.7 125.7 4.3 -27.1 4.8 60 61 A R - 0 0 35 -2,-0.6 2,-0.6 -5,-0.1 3,-0.1 -0.504 22.4-163.2 -76.3 138.5 7.6 -26.0 3.6 61 62 A N > - 0 0 4 -10,-0.4 4,-2.5 -2,-0.2 -10,-0.3 -0.968 3.7-161.4-120.4 115.5 10.0 -25.1 6.3 62 63 A A T 4 S+ 0 0 1 -2,-0.6 7,-0.5 1,-0.2 -1,-0.2 0.958 89.8 43.6 -63.3 -47.2 12.8 -23.1 4.9 63 64 A Q T 4 S+ 0 0 77 1,-0.2 -1,-0.2 -34,-0.2 3,-0.2 0.919 110.8 55.2 -66.7 -40.5 15.1 -23.6 7.7 64 65 A S T 4 S+ 0 0 32 -15,-0.8 2,-0.9 1,-0.3 -1,-0.2 0.959 115.6 38.1 -58.8 -51.7 14.4 -27.3 8.1 65 66 A N X + 0 0 35 -4,-2.5 4,-1.8 1,-0.2 -1,-0.3 -0.838 63.4 178.8-104.8 107.8 15.2 -27.9 4.5 66 67 A T H > S+ 0 0 97 -2,-0.9 4,-2.3 1,-0.2 5,-0.3 0.936 86.5 54.3 -64.4 -42.5 18.1 -25.9 3.4 67 68 A V H > S+ 0 0 72 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.890 104.8 54.0 -61.3 -39.3 17.9 -27.5 0.1 68 69 A K H > S+ 0 0 17 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.956 109.2 46.3 -61.6 -48.0 14.3 -26.5 -0.3 69 70 A V H X S+ 0 0 19 -4,-1.8 4,-0.9 -7,-0.5 3,-0.4 0.951 120.0 38.7 -61.6 -49.3 14.9 -22.8 0.4 70 71 A I H X S+ 0 0 100 -4,-2.3 4,-1.6 1,-0.2 3,-0.4 0.882 110.2 65.2 -62.6 -38.2 17.8 -22.6 -1.9 71 72 A K H X S+ 0 0 86 -4,-3.0 4,-3.3 -5,-0.3 -1,-0.2 0.858 93.0 58.4 -59.4 -41.0 16.1 -24.9 -4.3 72 73 A D H X S+ 0 0 48 -4,-1.9 4,-2.9 -3,-0.4 -1,-0.3 0.928 105.8 46.3 -61.7 -47.0 13.3 -22.6 -5.2 73 74 A V H X S+ 0 0 53 -4,-0.9 4,-1.2 -3,-0.4 -1,-0.2 0.971 120.8 36.8 -62.6 -51.2 15.3 -19.7 -6.4 74 75 A D H X S+ 0 0 58 -4,-1.6 4,-1.5 1,-0.3 3,-0.3 0.909 118.2 53.8 -65.3 -36.6 17.6 -21.8 -8.6 75 76 A A H X S+ 0 0 11 -4,-3.3 4,-3.1 -5,-0.3 -1,-0.3 0.878 98.1 65.3 -61.7 -39.3 14.6 -24.0 -9.4 76 77 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.3 -1,-0.2 0.898 101.3 46.3 -60.1 -43.9 12.7 -21.0 -10.5 77 78 A I H X S+ 0 0 85 -4,-1.2 4,-2.4 -3,-0.3 -1,-0.3 0.889 111.9 52.1 -65.0 -36.6 14.9 -20.2 -13.4 78 79 A I H X S+ 0 0 73 -4,-1.5 4,-2.8 2,-0.2 -1,-0.3 0.942 107.7 52.5 -59.9 -41.1 14.8 -23.8 -14.3 79 80 A Q H < S+ 0 0 78 -4,-3.1 -2,-0.3 1,-0.3 -1,-0.2 0.893 103.9 56.3 -60.7 -37.0 11.0 -23.4 -14.1 80 81 A N H < S+ 0 0 35 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.931 105.9 50.5 -59.6 -41.2 11.5 -20.6 -16.4 81 82 A F H < 0 0 168 -4,-2.4 -2,-0.3 1,-0.1 -1,-0.2 0.961 360.0 360.0 -60.6 -46.8 13.1 -23.1 -18.7 82 83 A R < 0 0 203 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.982 360.0 360.0 -55.7 360.0 10.2 -25.3 -18.2