==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 03-JUL-12 4FXH . COMPND 2 MOLECULE: MRNA INTERFERASE RELE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.E.BRODERSEN,A.BOGGILD,N.SOFOS . 182 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11387.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 18.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 0.5 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 . 21 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 28.0 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 0 0 2 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 . 2 0 0 1 0 2 0 1 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 2 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 A 0 0 106 0, 0.0 2,-0.4 0, 0.0 33,-0.2 0.000 360.0 360.0 360.0 -8.9 -4.5 -8.5 -1.4 2 3 A Y - 0 0 47 31,-1.8 64,-0.2 64,-0.0 2,-0.2 -0.844 360.0-126.4-100.9 139.2 -2.4 -8.8 -4.6 3 4 A F E -a 66 0A 142 62,-2.7 64,-3.8 -2,-0.4 2,-0.3 -0.512 24.9-127.6 -75.7 150.3 -4.0 -8.9 -8.1 4 5 A L E +a 67 0A 74 62,-0.2 2,-0.3 -2,-0.2 64,-0.2 -0.791 30.6 168.1-101.8 143.5 -3.1 -11.9 -10.4 5 6 A D E -a 68 0A 74 62,-2.1 64,-2.8 -2,-0.3 2,-0.4 -0.981 18.9-146.2-151.4 145.1 -1.8 -11.6 -13.9 6 7 A F E -a 69 0A 33 -2,-0.3 2,-0.2 62,-0.2 64,-0.2 -0.914 19.0-122.4-115.9 138.2 -0.3 -14.2 -16.2 7 8 A D > - 0 0 16 62,-3.2 4,-2.4 -2,-0.4 5,-0.2 -0.585 31.4-123.3 -68.2 139.5 2.4 -13.8 -18.8 8 9 A E H > S+ 0 0 163 1,-0.2 4,-2.1 -2,-0.2 5,-0.1 0.851 112.4 50.4 -60.1 -36.5 0.9 -14.9 -22.1 9 10 A R H > S+ 0 0 133 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.905 112.7 48.0 -64.8 -39.9 3.5 -17.6 -22.7 10 11 A A H > S+ 0 0 0 2,-0.2 4,-2.1 59,-0.2 -2,-0.2 0.808 109.0 52.6 -70.9 -32.1 2.9 -18.8 -19.2 11 12 A L H X S+ 0 0 58 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.889 110.2 48.7 -69.2 -39.5 -0.9 -18.9 -19.7 12 13 A K H < S+ 0 0 131 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.895 112.1 49.0 -61.6 -41.6 -0.3 -20.9 -22.9 13 14 A E H >< S+ 0 0 49 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.878 107.8 55.9 -62.1 -38.6 2.0 -23.2 -20.7 14 15 A W H >< S+ 0 0 28 -4,-2.1 3,-1.2 1,-0.3 4,-0.4 0.834 98.1 60.7 -64.8 -35.5 -0.8 -23.4 -18.1 15 16 A R T 3< S+ 0 0 139 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.326 107.3 47.3 -77.3 8.9 -3.3 -24.7 -20.7 16 17 A K T < S+ 0 0 172 -3,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.237 83.4 88.5-132.6 11.1 -1.1 -27.7 -21.3 17 18 A L S < S- 0 0 46 -3,-1.2 4,-0.2 1,-0.2 2,-0.1 0.795 92.9-115.8 -79.4 -30.1 -0.3 -28.9 -17.8 18 19 A G > - 0 0 30 -4,-0.4 4,-1.3 1,-0.1 -1,-0.2 -0.424 27.2 -72.0 114.3 168.4 -3.4 -31.1 -17.5 19 20 A S T 4 S+ 0 0 106 1,-0.2 4,-0.2 2,-0.2 -1,-0.1 0.955 124.3 49.0 -61.0 -54.1 -6.5 -31.2 -15.4 20 21 A T T >> S+ 0 0 116 1,-0.2 4,-1.2 2,-0.1 3,-0.6 0.857 113.9 42.8 -58.4 -43.8 -4.9 -32.4 -12.2 21 22 A V H >> S+ 0 0 50 1,-0.2 4,-2.5 -4,-0.2 3,-0.5 0.976 102.6 58.3 -73.9 -58.5 -2.1 -29.8 -12.0 22 23 A R H 3< S+ 0 0 65 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.397 109.3 52.0 -61.3 8.3 -3.6 -26.4 -13.0 23 24 A E H <> S+ 0 0 101 -3,-0.6 4,-2.0 -4,-0.2 -1,-0.3 0.757 109.3 43.2-105.8 -49.5 -6.0 -26.9 -10.0 24 25 A Q H S+ 0 0 136 -5,-0.4 4,-2.0 1,-0.2 -2,-0.2 0.864 109.4 50.1 -59.4 -37.5 -4.5 -22.6 -8.8 27 28 A K H X S+ 0 0 119 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.942 112.1 44.0 -65.9 -50.4 -5.0 -23.3 -5.1 28 29 A K H X S+ 0 0 51 -4,-1.5 4,-1.3 1,-0.2 -2,-0.2 0.764 113.0 54.8 -69.0 -25.1 -1.4 -22.5 -4.1 29 30 A L H X S+ 0 0 4 -4,-2.0 4,-1.5 2,-0.2 3,-0.2 0.950 105.7 48.1 -73.3 -51.9 -1.4 -19.4 -6.3 30 31 A V H < S+ 0 0 82 -4,-2.0 4,-0.4 1,-0.3 -2,-0.2 0.822 111.1 54.3 -59.3 -30.3 -4.5 -17.8 -4.8 31 32 A E H >X S+ 0 0 122 -4,-1.5 3,-1.1 1,-0.2 4,-0.6 0.887 104.8 53.8 -67.2 -39.7 -2.9 -18.5 -1.4 32 33 A V H >< S+ 0 0 6 -4,-1.3 3,-0.6 1,-0.2 -2,-0.2 0.798 93.0 72.7 -63.6 -30.6 0.3 -16.7 -2.6 33 34 A L T 3< S+ 0 0 24 -4,-1.5 -31,-1.8 1,-0.2 -1,-0.2 0.718 89.5 60.9 -60.9 -22.7 -1.8 -13.6 -3.5 34 35 A E T <4 S- 0 0 148 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.911 131.2 -1.6 -70.2 -44.4 -2.3 -12.8 0.2 35 36 A S S << S+ 0 0 78 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.1 -0.669 70.7 176.9-151.5 87.8 1.5 -12.4 0.9 36 37 A P + 0 0 5 0, 0.0 2,-1.5 0, 0.0 -3,-0.1 0.796 59.7 83.5 -69.0 -36.3 3.6 -13.0 -2.3 37 38 A R + 0 0 83 13,-0.1 2,-0.7 -5,-0.0 3,-0.1 -0.564 55.4 168.1 -77.5 91.3 7.1 -12.3 -0.9 38 39 A I > - 0 0 60 -2,-1.5 3,-2.7 1,-0.1 4,-0.5 -0.911 27.4-154.9-108.8 108.5 8.0 -15.6 0.7 39 40 A E G > S+ 0 0 186 -2,-0.7 3,-0.8 1,-0.3 -1,-0.1 0.796 94.3 58.8 -50.6 -34.1 11.7 -15.6 1.7 40 41 A A G 3 S+ 0 0 90 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.573 112.1 40.8 -75.4 -7.7 11.7 -19.4 1.5 41 42 A N G < S+ 0 0 33 -3,-2.7 10,-2.2 2,-0.1 2,-0.4 0.310 82.5 123.8-121.0 6.3 10.6 -19.3 -2.2 42 43 A K B < -B 50 0A 79 -3,-0.8 8,-0.3 -4,-0.5 3,-0.1 -0.560 63.3-120.1 -76.4 127.4 12.7 -16.4 -3.5 43 44 A L > - 0 0 2 6,-2.2 3,-1.3 -2,-0.4 6,-0.2 -0.337 39.5 -92.7 -62.9 145.0 14.9 -17.2 -6.5 44 45 A R T 3 S+ 0 0 123 1,-0.3 -1,-0.1 3,-0.0 6,-0.0 -0.363 105.9 0.6 -65.2 132.6 18.6 -16.7 -6.0 45 46 A G T 3 S+ 0 0 75 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.1 0.345 105.6 114.0 74.4 -7.5 19.9 -13.3 -7.0 46 47 A M < - 0 0 53 -3,-1.3 3,-0.2 3,-0.1 -1,-0.2 -0.870 49.1-166.8-103.7 113.7 16.4 -12.3 -8.0 47 48 A P S S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.748 88.3 23.5 -68.7 -26.5 14.8 -9.5 -5.9 48 49 A D S S+ 0 0 51 2,-0.0 12,-3.0 -11,-0.0 2,-0.4 0.311 99.6 97.4-125.3 5.2 11.2 -9.9 -7.2 49 50 A X E + C 0 59A 9 -3,-0.2 -6,-2.2 10,-0.2 2,-0.3 -0.843 43.4 172.8-109.6 136.6 11.0 -13.5 -8.4 50 51 A Y E -BC 42 58A 11 8,-2.5 8,-2.1 -2,-0.4 2,-0.3 -0.865 20.3-126.6-135.5 165.2 9.6 -16.4 -6.4 51 52 A K E - C 0 57A 17 -10,-2.2 2,-0.4 -2,-0.3 6,-0.2 -0.835 6.5-160.2-117.4 153.4 8.7 -20.1 -6.9 52 53 A I E C 0 56A 0 4,-2.9 4,-2.7 -2,-0.3 -23,-0.0 -1.000 360.0 360.0-124.6 132.7 5.7 -22.3 -6.4 53 54 A K 0 0 146 -2,-0.4 -2,-0.0 2,-0.2 4,-0.0 -0.893 360.0 360.0-107.6 360.0 6.2 -26.1 -6.2 54 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 55 61 A R 0 0 67 0, 0.0 18,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 168.4 7.5 -25.6 -10.7 56 62 A L E -CD 52 72A 0 -4,-2.7 -4,-2.9 16,-0.2 2,-0.4 -0.989 360.0-160.4-124.5 142.5 5.8 -22.2 -11.1 57 63 A V E -CD 51 71A 0 14,-3.8 13,-2.2 -2,-0.4 14,-1.7 -0.975 10.8-179.5-122.4 135.6 7.7 -18.8 -11.1 58 64 A Y E -CD 50 69A 0 -8,-2.1 -8,-2.5 -2,-0.4 2,-0.5 -0.949 20.6-136.1-132.2 156.0 6.1 -15.4 -10.5 59 65 A Q E -CD 49 68A 50 9,-3.0 9,-3.1 -2,-0.3 2,-0.6 -0.932 17.3-137.6-111.6 130.1 7.3 -11.8 -10.3 60 66 A V E - D 0 67A 1 -12,-3.0 2,-0.7 -2,-0.5 7,-0.2 -0.776 15.8-169.6 -89.3 120.4 6.1 -9.5 -7.6 61 67 A I E >>> + D 0 66A 17 5,-2.6 5,-2.2 -2,-0.6 3,-1.2 -0.832 7.8 178.3-113.4 91.6 5.2 -6.0 -8.9 62 68 A D T 345S+ 0 0 69 -2,-0.7 3,-0.2 1,-0.3 -1,-0.2 0.856 76.4 65.6 -61.5 -38.3 4.7 -3.8 -5.9 63 69 A E T 345S+ 0 0 159 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.733 120.3 22.6 -59.0 -23.5 4.1 -0.7 -8.0 64 70 A K T <45S- 0 0 111 -3,-1.2 -1,-0.3 2,-0.2 -2,-0.2 0.430 102.5-124.6-117.2 -6.9 0.9 -2.3 -9.2 65 71 A V T <5 + 0 0 55 -4,-1.2 -62,-2.7 1,-0.2 2,-0.4 0.905 64.1 146.8 54.4 44.7 0.4 -4.8 -6.4 66 72 A V E < -aD 3 61A 16 -5,-2.2 -5,-2.6 -64,-0.2 2,-0.7 -0.929 49.4-147.2-116.8 130.3 0.3 -7.5 -9.0 67 73 A V E -aD 4 60A 0 -64,-3.8 -62,-2.1 -2,-0.4 2,-0.8 -0.881 22.5-159.2 -89.7 114.6 1.6 -11.1 -8.9 68 74 A F E -aD 5 59A 34 -9,-3.1 -9,-3.0 -2,-0.7 2,-0.5 -0.832 6.6-150.5-105.4 101.1 2.8 -11.8 -12.4 69 75 A V E +aD 6 58A 0 -64,-2.8 -62,-3.2 -2,-0.8 -11,-0.3 -0.577 26.0 166.4 -69.8 117.8 3.0 -15.5 -13.2 70 76 A I E + 0 0 1 -13,-2.2 2,-0.4 -2,-0.5 -60,-0.2 0.792 56.5 18.8-108.4 -35.1 5.8 -15.7 -15.7 71 77 A S E + D 0 57A 1 -14,-1.7 -14,-3.8 -61,-0.1 2,-0.3 -0.998 55.3 172.8-144.8 134.7 6.8 -19.3 -16.1 72 78 A V E + D 0 56A 3 -2,-0.4 -16,-0.2 -16,-0.3 2,-0.2 -0.988 29.9 97.5-143.5 132.4 5.1 -22.6 -15.2 73 79 A G - 0 0 23 -18,-2.9 2,-0.3 -2,-0.3 3,-0.1 -0.628 58.2 -54.3-170.0-130.8 6.2 -26.1 -16.1 74 80 A K - 0 0 98 -2,-0.2 101,-0.4 2,-0.1 100,-0.2 -0.938 34.8-113.9-144.7 157.8 8.0 -29.2 -14.8 75 81 A A S S+ 0 0 39 -2,-0.3 99,-0.2 98,-0.1 2,-0.2 0.926 99.1 17.9 -59.3 -49.7 11.3 -30.4 -13.2 76 82 A E S S- 0 0 19 1,-0.1 -2,-0.1 97,-0.1 2,-0.1 -0.524 99.8 -74.5-112.3-178.7 12.4 -32.4 -16.2 77 83 A R >> - 0 0 58 -2,-0.2 4,-1.1 1,-0.1 3,-0.6 -0.429 45.3-114.7 -68.8 154.6 11.5 -32.7 -19.9 78 84 A S H 3> S+ 0 0 98 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.813 116.4 58.7 -61.9 -28.7 8.1 -34.4 -20.6 79 85 A E H 3> S+ 0 0 109 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.837 97.4 59.8 -71.3 -32.3 10.1 -37.2 -22.3 80 86 A V H <> S+ 0 0 10 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.914 107.7 43.6 -63.9 -45.1 12.1 -38.0 -19.2 81 87 A Y H X S+ 0 0 95 -4,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.902 115.7 50.0 -65.0 -41.1 9.0 -38.8 -17.1 82 88 A S H X S+ 0 0 51 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.920 112.0 46.1 -63.6 -46.5 7.6 -40.8 -20.0 83 89 A E H X S+ 0 0 84 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.821 110.1 56.1 -65.5 -31.0 10.8 -42.8 -20.6 84 90 A A H X S+ 0 0 0 -4,-1.8 4,-0.9 -5,-0.2 -1,-0.2 0.875 106.4 49.3 -68.1 -38.5 10.9 -43.4 -16.8 85 91 A V H >< S+ 0 0 51 -4,-1.9 3,-0.5 1,-0.2 4,-0.3 0.936 114.9 44.5 -64.3 -46.8 7.4 -44.9 -16.9 86 92 A K H >< S+ 0 0 103 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.888 106.4 61.2 -61.2 -41.2 8.4 -47.1 -19.8 87 93 A R H 3< S+ 0 0 73 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.766 105.4 47.2 -61.7 -25.9 11.8 -48.0 -18.1 88 94 A I T << 0 0 43 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.416 360.0 360.0 -99.0 0.7 10.0 -49.6 -15.1 89 95 A L < 0 0 165 -3,-1.6 -2,-0.2 -4,-0.3 -1,-0.2 0.903 360.0 360.0 -78.6 360.0 7.5 -51.7 -17.1 90 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 91 2 B A 0 0 117 0, 0.0 2,-0.2 0, 0.0 33,-0.2 0.000 360.0 360.0 360.0-169.3 25.8 -54.6 -5.8 92 3 B Y - 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