==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 28-NOV-00 1G9U . COMPND 2 MOLECULE: OUTER PROTEIN YOPM; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR A.G.EVDOKIMOV,D.E.ANDERSON,K.M.ROUTZAHN,D.S.WAUGH . 353 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17324.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 17.6 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 . 26 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 15 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 1 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 34 A K 0 0 148 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 133.5 22.5 47.8 60.8 2 35 A S > - 0 0 53 1,-0.1 4,-2.7 4,-0.0 5,-0.1 -0.478 360.0-106.2 -93.0 165.0 24.1 48.7 64.2 3 36 A K H > S+ 0 0 99 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.931 123.7 52.4 -50.8 -49.0 26.9 46.9 66.2 4 37 A T H > S+ 0 0 85 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.867 107.2 51.1 -59.9 -41.6 24.2 45.8 68.6 5 38 A E H > S+ 0 0 89 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.912 113.3 45.8 -65.5 -38.3 22.1 44.4 65.7 6 39 A Y H X S+ 0 0 29 -4,-2.7 4,-3.3 2,-0.2 -2,-0.2 0.977 113.4 48.6 -61.2 -54.9 25.1 42.5 64.4 7 40 A Y H X S+ 0 0 43 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.780 114.8 46.0 -51.9 -38.3 26.1 41.2 67.9 8 41 A N H X S+ 0 0 98 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.933 109.9 51.3 -77.3 -47.3 22.5 40.1 68.6 9 42 A A H X S+ 0 0 7 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.911 111.5 51.7 -54.3 -42.9 22.0 38.4 65.2 10 43 A W H X S+ 0 0 0 -4,-3.3 4,-2.2 -5,-0.3 -1,-0.2 0.913 107.6 49.6 -67.3 -33.0 25.3 36.6 65.9 11 44 A S H X S+ 0 0 22 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.965 109.2 53.2 -72.0 -36.3 24.1 35.5 69.4 12 45 A E H X S+ 0 0 96 -4,-2.7 4,-1.1 2,-0.2 3,-0.3 0.971 111.6 45.8 -52.8 -55.7 20.8 34.2 67.8 13 46 A W H >< S+ 0 0 10 -4,-2.5 3,-0.9 1,-0.3 4,-0.4 0.932 109.4 54.9 -58.6 -42.7 22.8 32.1 65.2 14 47 A E H >< S+ 0 0 60 -4,-2.2 3,-1.3 1,-0.3 -1,-0.3 0.930 108.0 47.9 -59.4 -37.5 25.1 30.8 67.9 15 48 A R H 3< S+ 0 0 184 -4,-2.1 -1,-0.3 -3,-0.3 -2,-0.2 0.714 103.3 65.9 -75.6 -12.3 22.2 29.5 69.9 16 49 A N T << S+ 0 0 107 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.458 71.1 130.0 -85.8 -3.9 20.9 28.0 66.7 17 50 A A S < S- 0 0 26 -3,-1.3 5,-0.1 -4,-0.4 33,-0.0 -0.212 78.1 -99.4 -43.0 130.4 23.8 25.6 66.6 18 51 A P - 0 0 46 0, 0.0 5,-0.4 0, 0.0 4,-0.2 -0.472 48.6-117.3 -61.5 129.3 22.6 22.0 66.0 19 52 A P S S+ 0 0 132 0, 0.0 3,-0.3 0, 0.0 -2,-0.1 0.837 97.4 15.8 -46.5 -64.4 22.8 21.0 69.6 20 53 A G S S+ 0 0 73 1,-0.2 2,-2.9 2,-0.1 -3,-0.0 0.933 92.8 111.9 -72.1 -46.7 25.4 18.2 69.7 21 54 A N S S- 0 0 104 1,-0.2 -1,-0.2 -4,-0.0 -4,-0.0 0.022 82.1-120.1 -12.7 -13.9 26.8 18.8 66.3 22 55 A G + 0 0 59 -2,-2.9 -1,-0.2 -3,-0.3 2,-0.1 0.371 56.0 155.7 78.0 -0.2 30.3 20.1 67.4 23 56 A E - 0 0 21 -5,-0.4 2,-1.1 26,-0.1 3,-0.3 -0.323 40.7-142.9 -60.2 126.3 30.0 23.5 65.7 24 57 A Q > + 0 0 74 24,-3.6 4,-2.6 1,-0.2 5,-0.1 -0.330 43.7 148.1 -93.6 60.9 32.1 26.1 67.3 25 58 A R H > + 0 0 11 -2,-1.1 4,-4.0 2,-0.2 5,-0.3 0.889 69.6 56.6 -61.0 -37.1 29.7 29.0 66.9 26 59 A E H > S+ 0 0 129 -3,-0.3 4,-3.0 2,-0.3 -1,-0.2 0.951 109.5 46.4 -58.1 -45.4 31.0 30.7 70.2 27 60 A M H > S+ 0 0 89 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.945 114.6 48.6 -59.8 -44.3 34.4 30.8 68.7 28 61 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.3 0.927 108.6 52.7 -65.0 -39.3 32.8 32.0 65.5 29 62 A V H X S+ 0 0 5 -4,-4.0 4,-2.3 1,-0.2 -1,-0.2 0.888 107.0 53.3 -69.3 -30.7 30.9 34.7 67.4 30 63 A S H X S+ 0 0 71 -4,-3.0 4,-2.6 -5,-0.3 5,-0.3 0.942 109.5 47.7 -64.6 -37.6 34.1 35.9 69.0 31 64 A R H X S+ 0 0 89 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.888 111.1 49.9 -71.7 -38.2 35.8 36.3 65.6 32 65 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.927 112.5 50.1 -60.5 -42.5 32.9 38.2 64.0 33 66 A R H X S+ 0 0 69 -4,-2.3 4,-4.0 2,-0.2 5,-0.3 0.957 114.3 39.9 -62.7 -54.5 32.9 40.4 67.1 34 67 A D H X S+ 0 0 68 -4,-2.6 4,-3.3 1,-0.2 6,-0.3 0.891 115.3 55.2 -63.9 -34.2 36.5 41.3 67.1 35 68 A C H X>S+ 0 0 2 -4,-2.5 5,-2.4 -5,-0.3 4,-0.7 0.932 115.4 36.6 -63.4 -43.2 36.4 41.5 63.4 36 69 A L H <5S+ 0 0 14 -4,-2.8 -2,-0.2 3,-0.2 -1,-0.2 0.842 120.3 50.1 -69.5 -39.6 33.5 44.1 63.5 37 70 A D H <5S+ 0 0 74 -4,-4.0 -2,-0.2 -5,-0.2 -3,-0.2 0.767 119.5 34.7 -73.5 -29.5 35.1 45.6 66.6 38 71 A R H <5S- 0 0 188 -4,-3.3 -1,-0.2 -5,-0.3 -2,-0.2 0.574 104.2-134.1 -95.4 -8.4 38.5 45.9 65.0 39 72 A Q T <5 - 0 0 91 -4,-0.7 -3,-0.2 -5,-0.3 -4,-0.1 0.890 38.7-166.8 54.0 43.7 36.8 46.6 61.6 40 73 A A < - 0 0 15 -5,-2.4 3,-0.1 -6,-0.3 -1,-0.1 -0.039 31.1-130.9 -58.7 162.8 39.2 44.1 60.1 41 74 A H S S+ 0 0 136 1,-0.2 20,-3.3 19,-0.1 21,-1.9 0.779 91.2 35.5 -74.9 -46.7 39.9 43.6 56.4 42 75 A E E -a 62 0A 77 19,-0.2 2,-0.5 18,-0.2 -1,-0.2 -0.980 64.5-152.0-133.6 138.9 39.5 39.8 56.7 43 76 A L E -a 63 0A 2 19,-2.4 21,-3.4 -2,-0.4 2,-0.7 -0.941 11.7-161.0-111.1 119.2 37.4 37.5 58.7 44 77 A E E +a 64 0A 86 -2,-0.5 21,-0.2 19,-0.2 -13,-0.1 -0.834 26.8 152.9-103.7 103.3 38.8 34.0 59.4 45 78 A L > + 0 0 0 19,-4.3 3,-0.6 -2,-0.7 5,-0.3 -0.106 25.0 158.9-119.7 40.8 36.3 31.3 60.4 46 79 A N T 3 - 0 0 37 1,-0.2 21,-0.2 18,-0.2 22,-0.1 -0.376 58.8 -3.0 -74.2 143.9 38.2 28.3 59.3 47 80 A N T 3 S+ 0 0 113 19,-2.5 -1,-0.2 1,-0.1 21,-0.2 0.811 81.3 125.5 55.9 46.8 37.5 24.8 60.6 48 81 A L S < S- 0 0 9 -3,-0.6 -24,-3.6 19,-0.3 20,-0.1 0.142 78.8-114.3-116.6 16.3 34.8 25.5 63.2 49 82 A G + 0 0 27 18,-0.8 19,-0.2 -26,-0.2 -26,-0.1 0.733 49.5 178.1 58.9 24.7 32.3 23.0 61.7 50 83 A L - 0 0 0 -5,-0.3 19,-3.1 17,-0.2 -1,-0.2 -0.328 24.3-168.9 -70.3 133.7 29.9 25.7 60.8 51 84 A S S S- 0 0 35 1,-0.2 20,-0.5 17,-0.2 2,-0.3 0.479 78.2 -0.4 -89.8 -0.8 26.9 24.4 59.0 52 85 A S - 0 0 43 18,-0.1 -1,-0.2 19,-0.1 21,-0.1 -0.969 67.1-126.5-169.4 169.6 26.0 28.0 58.2 53 86 A L - 0 0 16 -2,-0.3 3,-0.1 19,-0.1 12,-0.0 -0.971 19.8-134.2-123.9 146.5 27.1 31.6 58.6 54 87 A P - 0 0 10 0, 0.0 2,-0.1 0, 0.0 -44,-0.1 -0.008 58.2 -52.0 -79.7-166.7 25.1 34.6 60.0 55 88 A E - 0 0 76 -49,-0.1 21,-0.1 1,-0.1 -45,-0.0 -0.500 68.3-125.0 -64.5 139.9 25.1 38.0 58.2 56 89 A L - 0 0 9 19,-0.6 3,-0.1 -2,-0.1 -1,-0.1 -0.550 26.2 -89.2 -89.9 155.3 28.7 39.1 57.6 57 90 A P > - 0 0 0 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.271 52.3-112.7 -56.3 134.9 30.4 42.4 58.8 58 91 A P T 3 S+ 0 0 39 0, 0.0 3,-0.1 0, 0.0 18,-0.0 -0.353 94.8 24.8 -69.8 164.2 29.9 44.9 56.0 59 92 A H T 3 S+ 0 0 130 1,-0.2 2,-0.1 -3,-0.1 0, 0.0 0.659 79.5 149.3 58.9 21.3 32.9 46.2 54.1 60 93 A L < - 0 0 0 -3,-1.0 -1,-0.2 1,-0.2 19,-0.2 -0.595 32.2-163.0 -80.7 160.5 34.9 43.1 54.7 61 94 A E + 0 0 80 -20,-3.3 20,-3.5 1,-0.3 21,-2.6 0.775 69.8 33.7-105.2 -32.5 37.3 42.4 51.8 62 95 A S E -ab 42 82A 12 -21,-1.9 -19,-2.4 19,-0.2 2,-0.5 -0.986 58.0-165.9-131.3 131.1 38.2 38.8 52.5 63 96 A L E -ab 43 83A 0 19,-2.4 21,-2.3 -2,-0.4 2,-0.6 -0.955 2.8-172.9-111.7 118.1 36.2 35.9 54.0 64 97 A V E +ab 44 84A 19 -21,-3.4 -19,-4.3 -2,-0.5 -18,-0.2 -0.925 28.6 141.8-108.9 100.0 38.2 32.8 55.0 65 98 A A + 0 0 0 19,-2.3 3,-0.2 -2,-0.6 2,-0.1 -0.301 23.2 143.8-129.9 40.9 35.5 30.2 56.0 66 99 A S + 0 0 12 1,-0.2 -19,-2.5 18,-0.2 21,-0.2 -0.513 51.9 36.6 -88.9 159.5 37.0 27.0 54.7 67 100 A C S S+ 0 0 48 19,-1.9 -18,-0.8 20,-0.4 -19,-0.3 0.988 89.9 108.4 65.3 57.9 36.7 23.6 56.3 68 101 A N S S- 0 0 12 19,-1.4 -17,-0.2 18,-0.2 -1,-0.1 -0.502 79.2-101.9-133.5-149.0 33.2 24.0 57.6 69 102 A S + 0 0 46 -19,-3.1 2,-0.3 -2,-0.2 19,-0.1 -0.144 54.8 156.4-138.0 39.1 29.9 22.4 56.4 70 103 A L + 0 0 0 1,-0.2 19,-1.7 17,-0.1 -18,-0.1 -0.442 21.1 170.9 -75.9 137.7 28.3 25.0 54.4 71 104 A T S S+ 0 0 81 -20,-0.5 20,-0.8 1,-0.4 21,-0.4 0.606 79.1 26.6-108.3 -17.9 25.8 24.1 51.8 72 105 A E S S- 0 0 153 -21,-0.3 -1,-0.4 18,-0.1 -19,-0.1 -0.951 74.0-137.2-139.6 157.9 24.8 27.7 51.3 73 106 A L - 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