==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 15-JUL-01 1JL5 . 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) . 16345.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 17.8 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 . 28 7.9 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 . 0 1 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 . 1 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 1034 A K 0 0 139 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 145.1 129.5 85.4 -8.9 2 1035 A S > - 0 0 58 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.403 360.0-107.4 -81.2 163.5 129.2 87.2 -12.2 3 1036 A K H > S+ 0 0 104 1,-0.2 4,-4.2 2,-0.2 5,-0.2 0.930 122.2 57.3 -56.3 -43.4 125.9 87.6 -13.9 4 1037 A T H > S+ 0 0 80 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.892 104.1 50.6 -54.8 -43.7 126.9 84.9 -16.3 5 1038 A E H > S+ 0 0 101 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.923 115.0 43.7 -62.4 -41.6 127.5 82.5 -13.5 6 1039 A Y H X S+ 0 0 11 -4,-2.1 4,-3.7 2,-0.2 -2,-0.2 0.964 114.5 49.5 -66.2 -49.7 124.0 83.3 -12.2 7 1040 A Y H X S+ 0 0 33 -4,-4.2 4,-3.0 1,-0.2 -2,-0.2 0.919 116.5 42.1 -52.7 -49.1 122.5 83.2 -15.7 8 1041 A N H X S+ 0 0 93 -4,-3.3 4,-2.5 -5,-0.2 -1,-0.2 0.875 113.4 51.2 -68.8 -38.4 124.1 79.9 -16.4 9 1042 A A H X S+ 0 0 34 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.941 115.7 44.7 -62.8 -42.2 123.4 78.5 -13.0 10 1043 A W H X S+ 0 0 0 -4,-3.7 4,-3.2 2,-0.2 -2,-0.2 0.881 112.3 49.1 -69.1 -39.7 119.8 79.6 -13.6 11 1044 A S H X S+ 0 0 24 -4,-3.0 4,-2.8 -5,-0.2 -1,-0.2 0.865 112.0 50.2 -68.0 -34.0 119.7 78.2 -17.1 12 1045 A E H X S+ 0 0 94 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.938 112.4 46.6 -66.9 -45.9 121.1 75.0 -15.8 13 1046 A W H < S+ 0 0 15 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.932 111.9 52.1 -60.0 -44.8 118.4 75.0 -13.1 14 1047 A E H >< S+ 0 0 55 -4,-3.2 3,-1.8 1,-0.3 -2,-0.2 0.929 108.2 49.9 -57.3 -47.1 115.9 75.9 -15.8 15 1048 A R H 3< S+ 0 0 162 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.763 104.3 60.6 -63.0 -26.6 117.0 72.9 -18.0 16 1049 A N T 3< S+ 0 0 94 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.391 72.4 133.6 -82.8 4.0 116.7 70.7 -14.9 17 1050 A A S < S- 0 0 24 -3,-1.8 3,-0.1 -4,-0.1 5,-0.1 -0.365 73.9-105.5 -55.0 121.6 113.0 71.5 -14.7 18 1051 A P > - 0 0 41 0, 0.0 3,-2.0 0, 0.0 5,-0.4 -0.328 45.4-107.7 -52.1 121.0 111.4 68.1 -14.2 19 1052 A P T 3 S+ 0 0 124 0, 0.0 -4,-0.0 0, 0.0 -3,-0.0 -0.262 98.2 9.1 -55.8 135.0 109.9 67.5 -17.7 20 1053 A G T 3 S+ 0 0 83 3,-0.1 -3,-0.0 1,-0.1 0, 0.0 0.326 92.6 113.3 79.4 -8.6 106.1 67.8 -17.7 21 1054 A N S < S- 0 0 106 -3,-2.0 3,-0.1 1,-0.1 -1,-0.1 0.279 82.1-125.4 -80.8 15.2 105.9 69.3 -14.2 22 1055 A G + 0 0 59 1,-0.2 2,-0.2 -4,-0.1 -1,-0.1 0.640 50.7 163.6 53.8 14.9 104.7 72.6 -15.6 23 1056 A E - 0 0 24 -5,-0.4 2,-1.0 1,-0.1 3,-0.3 -0.478 33.9-147.3 -65.9 129.5 107.5 74.3 -13.7 24 1057 A Q > + 0 0 96 24,-4.0 4,-2.3 -2,-0.2 -1,-0.1 -0.477 43.3 146.7 -97.8 62.0 107.9 77.8 -15.2 25 1058 A R H > + 0 0 7 -2,-1.0 4,-4.5 2,-0.2 5,-0.3 0.828 66.7 62.3 -67.1 -30.7 111.6 78.0 -14.7 26 1059 A E H > S+ 0 0 140 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.953 108.9 41.1 -59.8 -47.7 112.0 80.0 -17.9 27 1060 A M H > S+ 0 0 63 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.917 116.0 51.5 -64.1 -42.6 109.8 82.7 -16.3 28 1061 A A H X S+ 0 0 0 -4,-2.3 4,-4.0 2,-0.2 -2,-0.2 0.957 110.6 47.0 -58.5 -51.3 111.6 82.2 -13.1 29 1062 A V H X S+ 0 0 4 -4,-4.5 4,-3.7 1,-0.2 5,-0.3 0.918 111.6 52.4 -56.7 -42.3 115.0 82.5 -14.8 30 1063 A S H X S+ 0 0 61 -4,-2.7 4,-2.7 -5,-0.3 -1,-0.2 0.916 113.1 43.6 -59.0 -43.0 113.6 85.6 -16.5 31 1064 A R H X S+ 0 0 68 -4,-2.8 4,-3.1 2,-0.2 -2,-0.2 0.924 114.5 50.8 -67.1 -45.0 112.6 86.9 -13.1 32 1065 A L H X S+ 0 0 0 -4,-4.0 4,-3.2 2,-0.2 -2,-0.2 0.943 113.2 44.6 -56.9 -51.0 115.9 85.9 -11.6 33 1066 A R H X S+ 0 0 84 -4,-3.7 4,-4.1 2,-0.2 5,-0.3 0.947 114.1 48.4 -60.1 -51.6 117.9 87.6 -14.4 34 1067 A D H X S+ 0 0 63 -4,-2.7 4,-3.5 -5,-0.3 6,-0.4 0.922 113.7 48.6 -55.8 -44.1 115.8 90.7 -14.2 35 1068 A C H X>S+ 0 0 4 -4,-3.1 5,-1.6 2,-0.2 4,-0.9 0.946 115.0 44.3 -60.3 -49.2 116.2 90.7 -10.5 36 1069 A L H <5S+ 0 0 17 -4,-3.2 3,-0.3 3,-0.2 -2,-0.2 0.953 118.4 43.5 -59.6 -51.9 120.0 90.2 -10.8 37 1070 A D H <5S+ 0 0 50 -4,-4.1 -2,-0.2 1,-0.3 -3,-0.2 0.919 118.0 42.9 -61.2 -48.6 120.3 92.8 -13.6 38 1071 A R H <5S- 0 0 169 -4,-3.5 -1,-0.3 -5,-0.3 -2,-0.2 0.626 103.0-134.2 -73.0 -11.8 118.1 95.4 -12.0 39 1072 A Q T <5 - 0 0 158 -4,-0.9 -3,-0.2 -5,-0.3 -4,-0.1 0.821 42.4-173.5 59.2 27.4 119.9 94.5 -8.7 40 1073 A A < - 0 0 34 -5,-1.6 21,-0.2 -6,-0.4 -1,-0.2 -0.156 33.3-135.1 -57.0 145.2 116.3 94.5 -7.5 41 1074 A H S S+ 0 0 122 19,-0.2 20,-3.3 -3,-0.1 21,-2.9 0.876 87.9 50.2 -68.1 -38.9 115.6 94.1 -3.8 42 1075 A E E -a 62 0A 99 19,-0.2 2,-0.5 18,-0.2 21,-0.2 -0.807 59.3-164.7-111.9 146.8 112.8 91.6 -4.5 43 1076 A L E -a 63 0A 2 19,-2.9 21,-3.7 -2,-0.3 2,-0.6 -0.996 13.1-165.4-123.5 120.1 112.6 88.4 -6.6 44 1077 A E E +a 64 0A 67 -2,-0.5 21,-0.2 19,-0.2 19,-0.1 -0.921 23.0 158.4-116.2 110.4 109.0 87.3 -7.2 45 1078 A L > + 0 0 0 19,-4.3 3,-0.8 -2,-0.6 5,-0.3 -0.261 23.0 165.3-120.2 42.1 108.6 83.7 -8.5 46 1079 A N T 3 - 0 0 51 1,-0.2 21,-0.2 18,-0.2 22,-0.1 -0.334 63.1 -3.9 -67.5 140.8 105.0 83.2 -7.4 47 1080 A N T 3 S+ 0 0 114 19,-2.7 -1,-0.2 40,-0.2 21,-0.2 0.855 84.4 131.9 47.6 48.3 103.0 80.3 -8.8 48 1081 A L S < S- 0 0 5 -3,-0.8 -24,-4.0 18,-0.3 20,-0.2 0.269 72.3-122.0-107.4 8.3 105.8 79.2 -11.2 49 1082 A G + 0 0 22 18,-0.9 2,-0.3 -26,-0.2 19,-0.2 0.724 48.8 173.3 58.5 23.0 105.4 75.6 -10.1 50 1083 A L - 0 0 0 -5,-0.3 19,-2.6 17,-0.2 -1,-0.2 -0.468 26.8-167.8 -68.0 121.8 109.1 75.6 -9.1 51 1084 A S S S+ 0 0 31 -2,-0.3 20,-0.9 1,-0.2 21,-0.3 0.509 79.6 3.9 -85.0 -5.3 110.1 72.4 -7.3 52 1085 A S - 0 0 39 18,-0.2 -1,-0.2 19,-0.1 21,-0.1 -0.970 69.6-128.2-167.4 162.9 113.3 74.2 -6.4 53 1086 A L - 0 0 12 -2,-0.3 3,-0.1 19,-0.2 2,-0.0 -0.942 23.3-133.7-119.8 143.0 114.9 77.6 -6.7 54 1087 A P - 0 0 12 0, 0.0 -44,-0.1 0, 0.0 -48,-0.0 -0.217 58.8 -49.6 -82.3-175.4 118.4 78.0 -8.1 55 1088 A E S S- 0 0 76 1,-0.1 21,-0.1 -49,-0.1 -42,-0.1 -0.299 70.9-121.6 -54.7 138.6 120.9 80.2 -6.3 56 1089 A L - 0 0 4 19,-0.5 -1,-0.1 1,-0.2 7,-0.0 -0.440 35.1 -79.7 -85.0 156.3 119.2 83.5 -5.6 57 1090 A P > - 0 0 5 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 -0.314 53.2-114.1 -51.8 139.6 120.4 86.9 -6.8 58 1091 A P T 3 S+ 0 0 43 0, 0.0 21,-0.3 0, 0.0 20,-0.2 0.780 107.2 33.4 -46.9 -43.3 123.3 87.8 -4.3 59 1092 A H T 3 S+ 0 0 142 -19,-0.1 2,-0.1 18,-0.1 0, 0.0 -0.001 78.6 153.1-112.2 32.9 121.7 90.8 -2.6 60 1093 A L < + 0 0 1 -3,-1.5 19,-0.2 1,-0.2 -18,-0.2 -0.368 18.9 179.6 -61.3 131.9 118.1 89.8 -2.7 61 1094 A E S S+ 0 0 49 -20,-3.3 20,-4.2 1,-0.3 21,-3.3 0.679 71.9 37.4-104.8 -27.9 116.3 91.4 0.2 62 1095 A S E -ab 42 82A 11 -21,-2.9 -19,-2.9 19,-0.2 2,-0.7 -0.964 62.4-170.4-132.5 117.6 112.9 89.9 -0.6 63 1096 A L E -ab 43 83A 0 19,-3.5 21,-3.9 -2,-0.4 2,-0.7 -0.919 6.4-180.0-106.9 112.1 112.3 86.4 -1.9 64 1097 A V E +ab 44 84A 7 -21,-3.7 -19,-4.3 -2,-0.7 -18,-0.2 -0.916 21.8 145.8-113.2 101.6 108.7 85.9 -3.0 65 1098 A A + 0 0 0 19,-2.9 5,-0.2 -2,-0.7 3,-0.2 -0.273 23.7 159.7-129.1 43.7 108.4 82.4 -4.2 66 1099 A S + 0 0 10 18,-0.3 -19,-2.7 1,-0.2 -18,-0.3 -0.262 55.4 22.9 -66.6 155.1 104.8 81.7 -3.1 67 1100 A C S S+ 0 0 48 19,-2.4 -18,-0.9 -21,-0.2 -19,-0.2 0.946 90.7 115.2 52.6 63.3 102.8 79.0 -4.6 68 1101 A N S S- 0 0 10 19,-2.0 -17,-0.2 18,-0.2 -1,-0.2 -0.641 76.8-104.6-136.5-166.6 105.5 76.7 -6.0 69 1102 A S + 0 0 48 -19,-2.6 2,-0.2 -2,-0.2 19,-0.1 -0.101 56.3 158.8-117.8 32.1 106.5 73.1 -5.1 70 1103 A L + 0 0 0 -5,-0.2 19,-2.7 17,-0.2 -18,-0.2 -0.375 16.3 170.6 -60.3 124.6 109.6 74.1 -3.2 71 1104 A T S S+ 0 0 78 -20,-0.9 20,-0.9 1,-0.3 21,-0.4 0.497 75.7 24.4-107.8 -13.2 110.6 71.3 -0.8 72 1105 A E S S- 0 0 119 -21,-0.3 -1,-0.3 18,-0.2 -19,-0.2 -0.962 76.0-133.6-146.3 155.9 113.8 73.1 -0.1 73 1106 A L - 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