==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-SEP-00 1FTH . COMPND 2 MOLECULE: ACYL CARRIER PROTEIN SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR N.CHIRGADZE,S.BRIGGS,K.MCALLISTER,A.FISCHL,G.ZHAO . 346 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 68.8 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 . 78 22.5 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 . 3 0.9 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-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 . 14 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 1 3 0 1 0 4 1 0 0 0 0 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 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 3 0 0 0 3 3 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 . 3 3 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 1003 A M 0 0 109 0, 0.0 115,-1.9 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 122.5 36.4 4.7 19.4 2 1004 A I E +A 115 0A 5 113,-0.2 113,-0.2 1,-0.1 3,-0.1 -0.575 360.0 178.8 -78.7 141.1 32.6 5.3 19.4 3 1005 A V E - 0 0 48 111,-2.5 2,-0.2 1,-0.4 112,-0.2 0.240 59.9 -5.6-128.4 13.3 31.4 8.7 20.5 4 1006 A G E -A 114 0A 2 110,-0.7 110,-2.4 212,-0.0 -1,-0.4 -0.795 48.4-160.8 165.2 152.6 27.6 8.6 20.1 5 1007 A H E +A 113 0A 10 57,-0.3 2,-0.3 58,-0.2 108,-0.2 -0.972 14.2 169.2-153.4 135.8 24.5 6.6 18.8 6 1008 A G E -A 112 0A 0 106,-2.0 106,-2.5 -2,-0.3 2,-0.3 -0.999 7.9-172.0-149.5 150.7 20.9 7.5 17.9 7 1009 A I E -A 111 0A 15 -2,-0.3 2,-0.3 104,-0.2 104,-0.2 -0.910 1.7-171.1-137.5 165.7 17.7 6.1 16.3 8 1010 A D E -A 110 0A 10 102,-1.8 102,-2.0 -2,-0.3 2,-0.4 -0.980 7.5-167.4-159.0 145.3 14.2 7.2 15.1 9 1011 A I E -A 109 0A 16 -2,-0.3 2,-0.3 100,-0.2 100,-0.2 -1.000 15.0-179.8-135.6 135.2 10.9 5.7 13.8 10 1012 A E E -A 108 0A 41 98,-2.2 98,-1.7 -2,-0.4 2,-0.5 -0.993 27.8-121.7-141.2 144.3 8.0 7.7 12.2 11 1013 A E E >> -A 107 0A 79 -2,-0.3 3,-1.0 96,-0.2 4,-0.9 -0.706 17.9-143.7 -84.7 127.0 4.5 7.1 10.7 12 1014 A L H 3> S+ 0 0 23 94,-1.9 4,-2.0 -2,-0.5 3,-0.4 0.806 96.2 64.1 -58.6 -34.4 4.1 8.3 7.1 13 1015 A A H 3> S+ 0 0 45 93,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.837 98.5 56.1 -60.0 -33.9 0.5 9.5 7.6 14 1016 A S H <> S+ 0 0 55 -3,-1.0 4,-1.3 1,-0.2 -1,-0.2 0.856 108.4 46.2 -67.3 -37.9 1.7 12.1 10.0 15 1017 A I H X S+ 0 0 4 -4,-0.9 4,-1.4 -3,-0.4 -2,-0.2 0.859 111.1 52.9 -73.2 -35.5 4.1 13.6 7.5 16 1018 A E H X S+ 0 0 112 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.906 107.4 50.6 -67.4 -39.9 1.5 13.6 4.7 17 1019 A S H X S+ 0 0 64 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.885 106.5 56.0 -64.9 -38.6 -1.1 15.5 6.9 18 1020 A A H <>S+ 0 0 7 -4,-1.3 5,-0.6 1,-0.2 7,-0.4 0.865 110.0 44.8 -61.3 -39.0 1.5 18.2 7.7 19 1021 A V H ><5S+ 0 0 50 -4,-1.4 3,-1.7 1,-0.2 5,-0.2 0.907 110.6 52.5 -72.0 -44.1 2.2 18.9 4.0 20 1022 A T H 3<5S+ 0 0 113 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.837 96.2 71.5 -60.7 -32.3 -1.5 18.9 3.0 21 1023 A R T 3<5S- 0 0 160 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.657 97.7-138.2 -59.0 -19.6 -2.0 21.5 5.8 22 1024 A H T < 5 + 0 0 172 -3,-1.7 -3,-0.1 -4,-0.2 -2,-0.1 0.965 59.0 132.3 57.8 57.5 -0.2 24.1 3.7 23 1025 A E S S+ 0 0 45 -5,-0.2 4,-1.2 -6,-0.1 -5,-0.1 0.704 73.2 145.0 91.1 22.8 5.3 25.7 5.2 25 1027 A F H >> + 0 0 16 -7,-0.4 4,-1.8 1,-0.2 3,-0.8 0.948 69.4 46.9 -57.3 -57.2 6.5 22.4 6.6 26 1028 A A H 3> S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.883 109.4 54.6 -55.4 -42.7 8.7 21.3 3.7 27 1029 A K H 34 S+ 0 0 167 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.796 110.3 47.7 -63.5 -28.4 10.4 24.7 3.5 28 1030 A R H << S+ 0 0 125 -4,-1.2 45,-0.2 -3,-0.8 -1,-0.2 0.839 116.5 40.3 -81.6 -34.7 11.4 24.5 7.2 29 1031 A V H < S+ 0 0 0 -4,-1.8 2,-0.3 44,-0.1 -2,-0.2 0.797 108.6 59.9 -85.4 -32.6 12.8 21.0 7.1 30 1032 A L S < S- 0 0 6 -4,-2.2 44,-0.1 -5,-0.2 47,-0.1 -0.744 71.3-131.0-106.1 149.3 14.7 20.9 3.8 31 1033 A T > - 0 0 16 -2,-0.3 4,-2.0 45,-0.1 5,-0.1 -0.169 39.6 -95.6 -79.8-179.1 17.7 23.0 2.4 32 1034 A A H > S+ 0 0 79 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.949 125.9 46.1 -64.3 -49.9 17.6 24.5 -1.1 33 1035 A L H > S+ 0 0 85 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.894 112.9 49.2 -59.8 -43.7 19.5 21.6 -2.6 34 1036 A E H >> S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 3,-0.7 0.900 107.4 57.3 -63.1 -38.8 17.3 19.0 -0.9 35 1037 A M H 3X S+ 0 0 62 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.851 97.3 61.0 -60.2 -37.7 14.3 20.9 -2.1 36 1038 A E H 3X S+ 0 0 132 -4,-1.5 4,-0.5 1,-0.2 -1,-0.2 0.843 106.8 45.9 -59.6 -34.5 15.4 20.6 -5.7 37 1039 A R H XX S+ 0 0 127 -4,-0.9 3,-0.7 -3,-0.7 4,-0.5 0.884 107.7 57.6 -74.7 -40.7 15.1 16.8 -5.4 38 1040 A F H >< S+ 0 0 19 -4,-1.7 3,-0.8 1,-0.2 -2,-0.2 0.868 104.1 51.2 -58.1 -43.0 11.7 16.9 -3.7 39 1041 A T H 3< S+ 0 0 90 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.690 102.4 59.9 -72.5 -19.2 10.0 18.8 -6.5 40 1042 A S H << S+ 0 0 83 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.607 94.5 81.1 -84.6 -11.1 11.2 16.4 -9.2 41 1043 A L << - 0 0 37 -3,-0.8 2,-0.3 -4,-0.5 -3,-0.0 -0.464 64.1-150.4 -93.7 165.9 9.4 13.4 -7.6 42 1044 A K >> - 0 0 151 -2,-0.1 3,-0.9 4,-0.0 4,-0.7 -0.937 45.3 -15.9-135.4 154.6 5.8 12.3 -7.8 43 1045 A G H >> S- 0 0 50 -2,-0.3 4,-1.1 1,-0.2 3,-0.7 -0.134 120.0 -9.9 63.9-145.1 3.2 10.4 -5.7 44 1046 A R H 3> S+ 0 0 173 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.831 131.3 62.2 -62.2 -32.6 4.2 8.3 -2.7 45 1047 A R H <> S+ 0 0 179 -3,-0.9 4,-1.4 1,-0.2 -1,-0.2 0.876 99.7 56.5 -63.0 -31.5 7.9 8.5 -3.6 46 1048 A Q H S+ 0 0 8 -4,-1.7 5,-1.8 1,-0.2 6,-1.4 0.844 107.2 49.7 -64.0 -34.3 20.7 15.0 17.1 62 1064 A K H <5S+ 0 0 71 -4,-1.3 -57,-0.3 1,-0.2 -1,-0.2 0.840 105.4 57.5 -72.2 -32.9 20.1 12.1 19.6 63 1065 A A H <5S+ 0 0 9 -4,-1.4 -58,-0.2 1,-0.2 -1,-0.2 0.804 108.6 46.6 -65.4 -29.3 23.6 10.7 18.8 64 1066 A M H <5S- 0 0 74 -4,-1.3 -1,-0.2 -60,-0.1 -2,-0.2 0.638 111.5-128.2 -84.8 -17.1 25.0 14.1 19.8 65 1067 A G T <5S+ 0 0 27 -4,-0.6 138,-0.2 -3,-0.2 -3,-0.2 0.697 83.6 95.2 78.0 22.8 22.8 14.0 22.9 66 1068 A T S - 0 0 40 -2,-0.3 3,-1.2 -3,-0.2 4,-0.1 -0.162 24.3-110.3 -73.4 170.6 17.5 23.8 13.5 73 1075 A F G > S+ 0 0 20 1,-0.2 3,-1.6 -45,-0.2 -42,-0.1 0.742 110.2 73.7 -69.7 -23.1 17.1 21.5 10.5 74 1076 A Q G 3 S+ 0 0 108 1,-0.3 -1,-0.2 -46,-0.2 -45,-0.1 0.554 85.8 65.5 -69.7 -5.8 18.8 24.0 8.2 75 1077 A D G < S+ 0 0 86 -3,-1.2 2,-0.3 -44,-0.0 -1,-0.3 0.485 98.9 58.6 -93.9 -3.7 22.2 23.2 9.8 76 1078 A L < - 0 0 2 -3,-1.6 2,-0.3 15,-0.1 15,-0.2 -0.907 61.2-172.5-125.3 152.6 22.2 19.6 8.5 77 1079 A E E -C 90 0B 20 13,-1.6 12,-1.8 -2,-0.3 13,-1.3 -0.979 7.7-164.4-149.9 135.0 22.0 18.2 4.9 78 1080 A V E +C 88 0B 0 -2,-0.3 10,-0.2 10,-0.2 2,-0.2 -0.958 19.3 160.8-123.6 115.0 21.7 14.7 3.4 79 1081 A L E -C 87 0B 48 8,-1.8 8,-2.2 -2,-0.5 2,-0.4 -0.466 39.4 -97.8-116.2-171.1 22.5 13.9 -0.3 80 1082 A N E -C 86 0B 72 6,-0.2 5,-0.0 -2,-0.2 -2,-0.0 -0.960 32.6-139.4-118.3 130.1 23.3 10.7 -2.3 81 1083 A N > - 0 0 66 4,-2.4 3,-2.2 -2,-0.4 -1,-0.0 -0.033 40.0 -81.5 -77.6-177.3 26.8 9.6 -3.2 82 1084 A E T 3 S+ 0 0 186 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.501 131.3 50.9 -66.7 -1.4 28.2 8.0 -6.4 83 1085 A R T 3 S- 0 0 224 2,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.357 120.8-107.5-110.6 -1.7 26.9 4.6 -5.4 84 1086 A G S < S+ 0 0 53 -3,-2.2 -2,-0.1 1,-0.3 -4,-0.0 0.523 74.2 133.1 89.0 7.5 23.4 5.9 -4.6 85 1087 A A - 0 0 44 1,-0.1 -4,-2.4 215,-0.0 -1,-0.3 -0.709 59.1-108.3 -96.1 143.3 23.5 5.8 -0.8 86 1088 A P E +C 80 0B 39 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.367 45.2 165.6 -67.3 142.5 22.4 8.6 1.5 87 1089 A Y E -C 79 0B 96 -8,-2.2 -8,-1.8 11,-0.1 2,-0.8 -0.990 42.3 -96.0-155.6 154.9 25.1 10.5 3.5 88 1090 A F E +C 78 0B 26 -2,-0.3 -10,-0.2 9,-0.2 3,-0.1 -0.651 33.5 173.5 -79.9 110.5 25.7 13.7 5.5 89 1091 A S E S+ 0 0 30 -12,-1.8 2,-0.3 -2,-0.8 -1,-0.2 0.639 75.3 30.9 -87.1 -17.9 27.1 16.5 3.3 90 1092 A Q E S+C 77 0B 119 -13,-1.3 -13,-1.6 2,-0.0 -1,-0.2 -0.985 74.1 127.3-143.1 130.9 26.8 19.1 6.1 91 1093 A A - 0 0 32 -2,-0.3 2,-1.4 -15,-0.2 -15,-0.1 -0.907 60.6-106.4-175.9 150.8 27.0 18.6 9.9 92 1094 A P S S+ 0 0 62 0, 0.0 2,-0.3 0, 0.0 -16,-0.0 -0.442 85.9 93.3 -87.5 63.8 28.9 19.9 13.0 93 1095 A F - 0 0 53 -2,-1.4 -2,-0.1 2,-0.1 4,-0.1 -0.985 54.6-160.1-154.3 143.6 31.3 16.9 13.4 94 1096 A S + 0 0 121 -2,-0.3 3,-0.1 2,-0.1 -1,-0.0 0.485 68.8 72.2-109.4 -6.5 34.8 16.1 12.2 95 1097 A G S S- 0 0 28 1,-0.1 2,-0.4 21,-0.1 21,-0.2 -0.013 96.4 -59.2 -93.8-159.9 34.9 12.3 12.5 96 1098 A K E -B 115 0A 92 19,-2.4 19,-2.0 2,-0.0 2,-0.5 -0.709 44.1-158.3 -86.1 137.4 33.2 9.5 10.6 97 1099 A I E -B 114 0A 47 -2,-0.4 2,-0.6 17,-0.2 -9,-0.2 -0.952 1.6-161.3-118.2 114.0 29.4 9.4 10.4 98 1100 A W E +B 113 0A 57 15,-2.4 15,-1.9 -2,-0.5 2,-0.3 -0.868 18.3 177.2 -97.5 120.6 27.7 6.0 9.7 99 1101 A L E +B 112 0A 27 -2,-0.6 2,-0.3 -13,-0.2 13,-0.2 -0.957 12.9 176.5-128.4 142.8 24.0 6.3 8.4 100 1102 A S E -B 111 0A 8 11,-1.5 11,-1.8 -2,-0.3 2,-0.3 -0.995 5.2-171.1-145.0 138.6 21.3 3.9 7.2 101 1103 A I E +B 110 0A 28 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.970 7.7 171.1-130.7 144.3 17.6 4.4 6.2 102 1104 A S E -B 109 0A 10 7,-2.0 7,-2.5 -2,-0.3 2,-0.3 -0.991 4.6-178.6-149.6 155.8 14.7 2.0 5.4 103 1105 A H E -B 108 0A 103 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.995 16.3-165.7-156.2 162.1 10.9 2.0 4.8 104 1106 A T - 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