==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-SEP-08 3EG4 . COMPND 2 MOLECULE: 2,3,4,5-TETRAHYDROPYRIDINE-2,6-DICARBOXYLATE N- . SOURCE 2 ORGANISM_SCIENTIFIC: BRUCELLA SUIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE . 279 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14365.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 19.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 24 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 17.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 2 1 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 15 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 0 PARALLEL BRIDGES PER LADDER . 1 1 1 1 0 0 0 0 1 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 . 2 0 0 0 2 0 0 0 1 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 6 A L > 0 0 120 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 142.5 0.2 -6.1 -10.4 2 7 A A H > + 0 0 65 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.854 360.0 51.3 -68.9 -39.9 -3.1 -7.5 -9.5 3 8 A S H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.888 110.0 50.5 -62.8 -42.7 -3.7 -9.6 -12.7 4 9 A L H > S+ 0 0 25 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.944 109.3 51.4 -60.5 -46.9 -0.3 -11.2 -12.4 5 10 A E H X S+ 0 0 66 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.896 110.1 49.8 -57.3 -44.8 -1.0 -12.1 -8.8 6 11 A K H X S+ 0 0 137 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.914 111.0 47.8 -61.8 -44.4 -4.4 -13.7 -9.7 7 12 A T H X S+ 0 0 26 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.918 113.9 48.1 -64.6 -45.2 -2.9 -15.8 -12.6 8 13 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.893 109.0 52.2 -63.1 -42.9 -0.0 -17.0 -10.3 9 14 A E H X S+ 0 0 61 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.965 114.4 42.4 -61.8 -44.7 -2.3 -18.0 -7.4 10 15 A K H X S+ 0 0 128 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.936 115.2 50.2 -67.0 -46.1 -4.6 -20.1 -9.6 11 16 A A H >< S+ 0 0 2 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.872 107.4 53.9 -57.0 -44.4 -1.7 -21.6 -11.5 12 17 A F H >< S+ 0 0 16 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.896 106.8 50.6 -63.2 -37.3 0.1 -22.6 -8.2 13 18 A D H 3< S+ 0 0 123 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.697 118.6 40.0 -71.3 -19.1 -3.0 -24.4 -6.9 14 19 A E T X< S+ 0 0 106 -4,-0.9 3,-2.4 -3,-0.6 -1,-0.3 0.037 81.0 127.4-105.6 16.2 -3.0 -26.2 -10.4 15 20 A R G X + 0 0 87 -3,-1.3 3,-1.8 1,-0.3 -2,-0.1 0.674 55.2 73.8 -58.2 -23.3 0.8 -26.6 -10.4 16 21 A D G 3 S+ 0 0 147 1,-0.3 -1,-0.3 -4,-0.2 -4,-0.1 0.752 98.4 48.2 -62.6 -25.3 0.8 -30.3 -11.1 17 22 A G G < S+ 0 0 58 -3,-2.4 2,-0.5 -6,-0.2 -1,-0.3 0.083 91.9 96.7 -99.3 22.5 -0.3 -29.6 -14.7 18 23 A I < + 0 0 20 -3,-1.8 2,-0.2 -7,-0.1 51,-0.0 -0.952 50.3 141.5-106.6 128.3 2.4 -26.9 -15.2 19 24 A N > - 0 0 80 -2,-0.5 3,-1.6 50,-0.1 49,-0.1 -0.824 66.4 -68.6-153.9-173.4 5.6 -28.2 -16.9 20 25 A T T 3 S+ 0 0 82 1,-0.3 49,-0.1 -2,-0.2 48,-0.0 0.700 127.6 55.0 -62.8 -17.0 8.3 -27.3 -19.5 21 26 A A T 3 S+ 0 0 77 49,-0.1 -1,-0.3 2,-0.0 48,-0.1 0.601 81.2 113.7 -95.4 -11.0 5.7 -27.5 -22.3 22 27 A T < + 0 0 24 -3,-1.6 2,-0.1 1,-0.1 -4,-0.1 -0.296 36.4 158.3 -56.1 135.9 3.3 -24.9 -20.7 23 28 A R > + 0 0 190 4,-0.1 4,-1.7 5,-0.0 3,-0.5 -0.319 29.6 62.6-132.3-138.5 2.9 -21.7 -22.6 24 29 A G H > S- 0 0 57 1,-0.2 4,-2.3 2,-0.2 5,-0.2 -0.049 109.5 -16.6 52.4-146.6 0.2 -19.0 -22.7 25 30 A E H > S+ 0 0 149 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.813 134.1 54.8 -67.9 -37.2 -0.8 -16.8 -19.8 26 31 A V H > S+ 0 0 32 -3,-0.5 4,-2.3 2,-0.2 5,-0.3 0.946 110.6 44.6 -61.9 -51.3 0.8 -18.9 -17.1 27 32 A R H X S+ 0 0 38 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.942 116.7 48.1 -57.7 -44.0 4.3 -18.9 -18.8 28 33 A E H X S+ 0 0 118 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.913 111.9 47.3 -64.6 -44.5 4.0 -15.2 -19.4 29 34 A A H X S+ 0 0 6 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.913 113.9 46.8 -63.7 -44.9 2.9 -14.3 -15.8 30 35 A V H X S+ 0 0 3 -4,-2.3 4,-2.0 -5,-0.2 5,-0.2 0.969 114.8 48.5 -61.0 -46.2 5.6 -16.4 -14.2 31 36 A E H X S+ 0 0 82 -4,-2.4 4,-1.7 -5,-0.3 -2,-0.2 0.904 113.5 45.7 -56.2 -52.2 8.2 -14.8 -16.6 32 37 A Q H X S+ 0 0 29 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.903 110.3 55.1 -58.4 -43.0 7.0 -11.3 -16.0 33 38 A S H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.907 109.3 45.2 -60.9 -44.8 6.9 -11.9 -12.2 34 39 A L H X S+ 0 0 11 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.799 111.2 54.6 -71.7 -31.6 10.5 -13.0 -12.1 35 40 A I H X S+ 0 0 64 -4,-1.7 4,-1.5 -5,-0.2 -2,-0.2 0.931 108.4 48.5 -63.9 -47.1 11.5 -10.1 -14.3 36 41 A L H <>S+ 0 0 36 -4,-2.7 5,-1.9 1,-0.2 6,-1.1 0.872 112.3 48.8 -59.8 -40.8 9.8 -7.7 -11.8 37 42 A L H ><5S+ 0 0 4 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.934 108.2 54.3 -59.9 -45.9 11.7 -9.5 -9.0 38 43 A D H 3<5S+ 0 0 10 -4,-2.6 81,-0.5 1,-0.3 -2,-0.2 0.796 111.9 44.7 -59.3 -33.3 15.0 -9.2 -11.0 39 44 A R T 3<5S- 0 0 139 -4,-1.5 -1,-0.3 79,-0.2 -2,-0.2 0.346 109.9-121.1 -91.7 1.0 14.4 -5.4 -11.3 40 45 A G T < 5S+ 0 0 13 -3,-1.9 -3,-0.2 -4,-0.2 -2,-0.1 0.640 77.1 127.7 67.6 11.8 13.4 -5.0 -7.6 41 46 A E S - 0 0 95 4,-3.4 3,-1.6 -2,-0.5 2,-0.4 -0.518 30.5 -99.6 -92.4 162.1 5.3 -2.3 6.6 49 54 A A T 3 S+ 0 0 102 1,-0.3 -1,-0.0 2,-0.2 3,-0.0 -0.795 120.5 66.0 -76.0 135.4 4.6 0.9 8.7 50 55 A D T 3 S- 0 0 115 -2,-0.4 -1,-0.3 -3,-0.0 3,-0.1 -0.077 121.9-112.0 110.4 -20.1 4.0 -1.1 11.8 51 56 A G S < S+ 0 0 28 -3,-1.6 2,-0.3 1,-0.2 -2,-0.2 0.731 78.3 115.1 65.1 28.5 7.7 -1.8 11.2 52 57 A N - 0 0 83 -4,-0.2 -4,-3.4 -6,-0.1 2,-0.5 -0.891 66.3-110.1-128.2 161.8 7.5 -5.5 10.4 53 58 A W E -A 47 0A 56 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.767 27.9-161.3 -97.2 127.2 8.2 -7.5 7.3 54 59 A H E -A 46 0A 86 -8,-2.8 -8,-2.1 -2,-0.5 2,-0.3 -0.937 16.1-128.0-109.8 132.4 5.3 -9.1 5.4 55 60 A V E -A 45 0A 16 -2,-0.4 2,-1.1 -10,-0.2 -10,-0.3 -0.532 3.9-147.3 -77.4 130.8 5.7 -11.9 2.9 56 61 A N >> - 0 0 27 -12,-3.9 3,-1.2 -2,-0.3 4,-1.0 -0.812 20.8-172.9 -94.5 85.3 4.3 -11.6 -0.6 57 62 A Q H 3> S+ 0 0 80 -2,-1.1 4,-2.1 1,-0.2 3,-0.3 0.844 75.4 64.9 -53.2 -40.4 3.5 -15.3 -0.9 58 63 A W H 3> S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.880 99.4 55.5 -56.0 -31.1 2.4 -15.1 -4.6 59 64 A L H <> S+ 0 0 1 -3,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.910 106.2 48.4 -70.2 -41.4 6.0 -14.1 -5.4 60 65 A K H X S+ 0 0 0 -4,-1.0 4,-2.3 -3,-0.3 -1,-0.2 0.871 111.1 52.9 -58.6 -35.7 7.4 -17.3 -3.7 61 66 A K H X S+ 0 0 31 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.882 106.0 52.4 -69.0 -40.6 4.7 -19.2 -5.8 62 67 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.911 110.2 48.9 -55.9 -48.4 6.0 -17.6 -9.1 63 68 A V H X S+ 0 0 0 -4,-2.0 4,-0.8 1,-0.2 3,-0.3 0.938 111.0 49.6 -58.5 -47.3 9.6 -18.7 -8.2 64 69 A L H X S+ 0 0 16 -4,-2.3 4,-0.5 1,-0.2 3,-0.4 0.816 109.7 51.6 -62.2 -32.2 8.3 -22.3 -7.4 65 70 A L H >X S+ 0 0 1 -4,-1.8 4,-2.0 1,-0.2 3,-0.9 0.835 99.4 64.4 -72.5 -31.7 6.4 -22.4 -10.8 66 71 A S H 3X S+ 0 0 5 -4,-1.6 4,-1.7 1,-0.3 -1,-0.2 0.768 94.6 60.1 -65.6 -28.2 9.5 -21.4 -12.6 67 72 A F H 3< S+ 0 0 56 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.831 110.0 42.8 -64.1 -32.6 11.1 -24.7 -11.5 68 73 A R H << S+ 0 0 93 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.2 0.803 115.2 48.1 -83.6 -35.9 8.3 -26.5 -13.3 69 74 A L H < S+ 0 0 3 -4,-2.0 -2,-0.2 -49,-0.1 -1,-0.2 0.757 104.6 68.4 -71.1 -31.7 8.4 -24.2 -16.4 70 75 A N S < S- 0 0 50 -4,-1.7 2,-0.1 -5,-0.2 -50,-0.1 -0.824 75.3-139.8-107.8 133.6 12.2 -24.4 -16.9 71 76 A P - 0 0 57 0, 0.0 2,-0.2 0, 0.0 15,-0.1 -0.431 24.6-103.3 -82.9 151.8 14.0 -27.6 -17.9 72 77 A M + 0 0 78 -2,-0.1 2,-0.3 13,-0.1 15,-0.2 -0.552 56.1 171.0 -55.9 136.5 17.3 -28.9 -16.7 73 78 A E E -B 86 0B 109 13,-1.9 13,-1.6 -2,-0.2 2,-0.4 -0.976 41.3 -92.7-151.0 163.6 19.8 -28.1 -19.4 74 79 A V E -B 85 0B 86 -2,-0.3 2,-0.6 11,-0.2 11,-0.2 -0.677 39.3-157.9 -77.2 128.8 23.5 -28.1 -20.2 75 80 A I E -B 84 0B 50 9,-2.6 9,-3.0 -2,-0.4 3,-0.2 -0.930 10.9-141.9-119.2 114.2 24.9 -24.7 -19.3 76 81 A K E +B 83 0B 185 -2,-0.6 7,-0.2 7,-0.2 6,-0.1 -0.079 64.6 72.2 -71.5 168.9 28.1 -23.8 -21.1 77 82 A G + 0 0 61 5,-0.6 6,-0.2 1,-0.2 -1,-0.2 0.533 56.8 129.7 108.9 11.3 31.1 -22.0 -19.7 78 83 A G S > S- 0 0 10 4,-2.6 3,-0.6 -3,-0.2 4,-0.4 -0.224 70.8 -57.6 -82.2 179.0 32.9 -24.3 -17.3 79 84 A P G > S+ 0 0 110 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 -0.271 122.1 10.5 -63.1 143.3 36.7 -25.1 -17.3 80 85 A G G 3 S- 0 0 67 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.907 135.2 -59.3 52.7 51.1 38.1 -26.6 -20.6 81 86 A Q G < S+ 0 0 189 -3,-0.6 -1,-0.2 1,-0.1 2,-0.1 0.737 102.5 143.7 50.8 28.3 34.9 -25.9 -22.5 82 87 A S < - 0 0 52 -3,-1.1 -4,-2.6 -4,-0.4 -5,-0.6 -0.320 36.7-133.4 -87.9 177.2 33.0 -28.1 -20.0 83 88 A S E -B 76 0B 53 -6,-0.2 -7,-0.2 -7,-0.2 2,-0.2 -0.767 4.3-129.9-135.4 165.6 29.4 -27.5 -18.8 84 89 A W E -B 75 0B 145 -9,-3.0 -9,-2.6 -2,-0.2 2,-0.4 -0.621 18.1-137.5-106.7 178.6 27.0 -27.3 -15.8 85 90 A W E +B 74 0B 172 -11,-0.2 2,-0.3 -2,-0.2 -11,-0.2 -0.887 48.4 112.0-146.3 100.2 23.6 -28.9 -15.4 86 91 A D E -B 73 0B 47 -13,-1.6 -13,-1.9 -2,-0.4 -2,-0.1 -0.950 58.1-127.6-162.1 172.3 20.8 -26.8 -13.9 87 92 A K S S+ 0 0 69 -2,-0.3 -15,-0.1 -15,-0.2 -17,-0.1 0.177 79.3 84.4-121.9 13.3 17.5 -25.2 -14.6 88 93 A V - 0 0 15 44,-0.0 2,-0.1 26,-0.0 -1,-0.0 -0.974 68.2-140.3-118.0 120.7 18.0 -21.6 -13.4 89 94 A P - 0 0 54 0, 0.0 26,-2.8 0, 0.0 2,-0.1 -0.427 27.2 -95.4 -78.2 155.9 19.7 -19.1 -15.7 90 95 A S B > -C 114 0C 52 24,-0.2 3,-2.2 1,-0.1 24,-0.3 -0.398 25.9-126.1 -57.1 138.1 22.2 -16.4 -14.7 91 96 A K T 3 S+ 0 0 7 22,-3.4 -1,-0.1 1,-0.3 23,-0.1 0.810 114.0 55.0 -46.0 -36.3 20.7 -13.0 -14.0 92 97 A F T > S+ 0 0 37 21,-0.5 3,-2.2 2,-0.1 -1,-0.3 0.236 73.6 141.6 -91.6 7.1 23.3 -11.8 -16.6 93 98 A D T < S- 0 0 126 -3,-2.2 0, 0.0 1,-0.3 0, 0.0 -0.365 84.6 -5.7 -54.7 118.3 22.1 -14.1 -19.4 94 99 A G T 3 S+ 0 0 68 1,-0.2 -1,-0.3 -2,-0.1 2,-0.1 0.482 94.7 153.9 71.7 7.2 22.4 -12.1 -22.6 95 100 A W < - 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