==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-MAR-11 3R5C . COMPND 2 MOLECULE: TETRAHYDRODIPICOLINATE N-SUCCINYLETRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR T.SANDALOVA,R.SCHNELL,G.SCHNEIDER . 1010 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37327.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 764 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 145 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 148 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 114 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 16.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 0.9 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 1 2 2 7 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 27 12 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 . 6 3 3 7 6 5 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 2 0 6 2 0 0 0 0 0 0 3 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 0 A H 0 0 243 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 159.9 -18.8 78.6 -20.0 2 1 A M - 0 0 181 1,-0.2 48,-0.0 48,-0.0 0, 0.0 -0.375 360.0 -35.8-114.9-170.9 -16.1 76.0 -20.6 3 2 A S S S- 0 0 71 -2,-0.1 -1,-0.2 1,-0.1 47,-0.1 -0.265 70.9-154.4 -57.8 136.3 -15.1 72.8 -18.7 4 3 A Q - 0 0 94 -3,-0.1 2,-0.6 47,-0.1 -1,-0.1 0.154 26.4 -78.4 -98.0-160.6 -15.5 73.3 -14.8 5 4 A S - 0 0 82 91,-0.1 30,-0.1 34,-0.0 31,-0.1 -0.962 64.2-122.6-106.1 110.2 -14.2 72.1 -11.4 6 5 A L - 0 0 3 -2,-0.6 90,-0.3 28,-0.2 91,-0.1 0.028 13.9-142.0 -71.3 154.6 -16.0 68.8 -10.9 7 6 A F S S- 0 0 27 88,-1.7 26,-2.7 1,-0.3 2,-0.3 0.905 83.8 -19.2 -69.2 -46.3 -18.4 67.5 -8.3 8 7 A S E -AB 32 95A 0 87,-1.9 87,-2.8 24,-0.2 2,-0.3 -0.993 53.5-172.5-158.0 156.3 -16.9 64.0 -8.4 9 8 A L E +AB 31 94A 0 22,-1.7 22,-2.2 -2,-0.3 2,-0.3 -0.959 10.8 172.0-150.4 145.7 -14.9 61.6 -10.5 10 9 A A E - B 0 93A 0 83,-1.9 83,-2.2 -2,-0.3 2,-0.6 -0.972 27.8-136.1-153.5 140.1 -14.1 57.9 -10.1 11 10 A F E - B 0 92A 1 -2,-0.3 17,-0.6 18,-0.3 18,-0.4 -0.857 38.2-175.9 -96.2 122.4 -12.5 55.2 -12.1 12 11 A G E -CB 27 91A 0 79,-2.8 79,-2.3 -2,-0.6 2,-0.4 -0.831 29.7-152.8-124.4 155.9 -14.5 52.0 -11.8 13 12 A V E +CB 26 90A 4 13,-2.1 13,-2.3 -2,-0.3 77,-0.2 -0.999 34.9 158.3-123.0 128.9 -14.6 48.4 -12.8 14 13 A G E -C 25 0A 0 75,-2.2 2,-0.4 -2,-0.4 11,-0.2 -0.579 35.5 -98.9-136.8-166.2 -18.1 46.9 -13.1 15 14 A T E -C 24 0A 11 9,-1.9 8,-2.9 -2,-0.2 9,-1.1 -0.980 24.2-162.5-133.4 139.8 -20.0 44.1 -14.7 16 15 A Q E -C 22 0A 70 -2,-0.4 6,-0.2 6,-0.2 129,-0.1 -0.848 15.9-128.6-117.9 153.5 -22.2 43.9 -17.8 17 16 A N > - 0 0 21 4,-2.1 3,-2.1 -2,-0.3 -1,-0.0 -0.287 44.8 -84.9 -88.6-178.2 -24.9 41.4 -18.9 18 17 A R T 3 S+ 0 0 168 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.786 132.3 52.5 -61.9 -28.2 -25.0 39.7 -22.3 19 18 A Q T 3 S- 0 0 143 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.133 120.1-111.4 -90.0 16.0 -26.8 42.8 -23.8 20 19 A E < + 0 0 148 -3,-2.1 2,-0.2 1,-0.2 -2,-0.1 0.546 66.6 149.0 63.9 12.5 -24.1 45.0 -22.4 21 20 A A - 0 0 47 1,-0.1 -4,-2.1 2,-0.0 2,-0.4 -0.549 52.6-115.2 -68.4 136.9 -26.3 46.7 -19.8 22 21 A W E +C 16 0A 43 -2,-0.2 -6,-0.2 -6,-0.2 3,-0.1 -0.631 34.5 176.6 -73.0 127.9 -24.3 47.7 -16.7 23 22 A L E - 0 0 4 -8,-2.9 2,-0.3 -2,-0.4 -1,-0.2 0.705 65.5 -9.1 -91.5 -30.2 -25.4 45.8 -13.6 24 23 A E E -C 15 0A 0 -9,-1.1 -9,-1.9 119,-0.1 -1,-0.4 -0.994 52.2-153.1-171.0 143.0 -22.9 47.2 -11.2 25 24 A V E -C 14 0A 0 -2,-0.3 2,-0.5 -11,-0.2 -11,-0.3 -0.998 8.0-156.2-136.7 140.9 -19.8 49.4 -10.8 26 25 A F E -C 13 0A 6 -13,-2.3 -13,-2.1 -2,-0.3 2,-0.6 -0.969 5.7-167.5-115.1 123.4 -17.1 49.3 -8.1 27 26 A Y E -C 12 0A 0 -2,-0.5 -15,-0.2 -15,-0.2 -2,-0.0 -0.956 4.1-171.5-113.1 114.4 -15.0 52.4 -7.5 28 27 A A S S+ 0 0 24 -17,-0.6 -1,-0.1 -2,-0.6 -16,-0.1 0.871 83.2 17.8 -72.2 -39.1 -11.9 51.7 -5.3 29 28 A L S S- 0 0 80 -18,-0.4 -18,-0.3 47,-0.1 -1,-0.2 -0.642 77.6-175.2-137.7 71.3 -10.9 55.3 -4.8 30 29 A P - 0 0 8 0, 0.0 2,-0.5 0, 0.0 -20,-0.2 -0.505 15.3-141.3 -75.3 142.7 -13.8 57.7 -5.6 31 30 A L E -A 9 0A 37 -22,-2.2 -22,-1.7 -2,-0.2 2,-0.5 -0.896 7.8-154.5-109.3 130.2 -13.0 61.5 -5.4 32 31 A L E S-A 8 0A 60 -2,-0.5 -24,-0.2 1,-0.2 -25,-0.1 -0.904 86.1 -4.3 -91.2 129.8 -15.2 64.3 -4.1 33 32 A K S S- 0 0 164 -26,-2.7 -1,-0.2 -2,-0.5 -26,-0.2 0.956 87.6-152.8 52.6 63.1 -14.2 67.6 -5.8 34 33 A P - 0 0 9 0, 0.0 -28,-0.2 0, 0.0 -1,-0.1 -0.320 22.8 -96.7 -66.1 150.6 -11.2 66.3 -7.8 35 34 A S > - 0 0 47 1,-0.1 4,-1.8 -30,-0.1 3,-0.3 -0.254 23.8-120.0 -69.6 153.8 -8.5 68.8 -8.6 36 35 A S H > S+ 0 0 71 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.775 113.4 62.2 -64.1 -25.0 -8.5 70.6 -11.9 37 36 A E H > S+ 0 0 117 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.911 103.8 45.9 -65.8 -45.4 -5.1 69.1 -12.5 38 37 A I H > S+ 0 0 8 -3,-0.3 4,-1.4 1,-0.2 -2,-0.2 0.929 115.7 46.6 -61.6 -43.7 -6.4 65.5 -12.4 39 38 A V H X S+ 0 0 8 -4,-1.8 4,-3.1 1,-0.2 -2,-0.2 0.891 109.2 52.9 -69.9 -39.8 -9.3 66.4 -14.7 40 39 A A H < S+ 0 0 68 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.895 111.2 47.8 -64.2 -40.3 -7.2 68.2 -17.2 41 40 A A H < S+ 0 0 25 -4,-1.7 4,-0.4 -5,-0.2 -1,-0.2 0.809 121.3 35.3 -65.1 -33.4 -4.9 65.2 -17.5 42 41 A V H X S+ 0 0 0 -4,-1.4 4,-2.2 -5,-0.1 5,-0.3 0.814 99.2 73.7 -97.1 -34.1 -7.7 62.7 -17.9 43 42 A A H X>S+ 0 0 14 -4,-3.1 4,-2.4 1,-0.2 5,-2.3 0.872 95.9 49.1 -55.6 -47.0 -10.4 64.5 -19.9 44 43 A P H 45S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.898 113.1 47.4 -63.6 -38.8 -8.7 64.4 -23.3 45 44 A I H 45S+ 0 0 43 -4,-0.4 -2,-0.2 -3,-0.2 -3,-0.1 0.899 118.0 41.6 -67.4 -40.4 -7.9 60.7 -23.1 46 45 A L H <5S- 0 0 15 -4,-2.2 -1,-0.2 2,-0.1 -3,-0.2 0.778 109.0-122.1 -75.8 -28.1 -11.4 59.8 -22.0 47 46 A G T <5 + 0 0 57 -4,-2.4 2,-0.7 -5,-0.3 -4,-0.1 0.870 48.9 167.5 81.6 41.7 -13.1 62.2 -24.4 48 47 A Y < + 0 0 14 -5,-2.3 -1,-0.2 1,-0.2 3,-0.1 -0.831 9.0 167.0 -92.3 114.5 -14.9 64.1 -21.6 49 48 A A - 0 0 84 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.918 54.9 -41.3 -88.7 -61.5 -16.4 67.3 -23.1 50 49 A A S S+ 0 0 56 -47,-0.1 -1,-0.3 44,-0.1 2,-0.1 -0.992 90.0 16.1-166.2 160.2 -18.7 68.6 -20.4 51 50 A G S S- 0 0 32 -2,-0.3 45,-1.0 -3,-0.1 2,-0.6 -0.387 99.9 -11.8 75.1-140.4 -21.4 67.9 -17.8 52 51 A N E S+D 95 0A 40 43,-0.2 2,-0.4 -2,-0.1 43,-0.2 -0.898 71.9 173.5-114.9 117.4 -22.2 64.5 -16.3 53 52 A Q E -D 94 0A 77 41,-3.3 41,-2.1 -2,-0.6 2,-0.6 -0.940 35.8-161.9-139.3 139.0 -20.7 61.5 -18.0 54 53 A A E -D 93 0A 39 -2,-0.4 2,-0.7 39,-0.2 39,-0.2 -0.849 30.2-175.0-115.5 92.2 -20.3 57.7 -17.8 55 54 A L E -D 92 0A 31 37,-3.2 37,-3.3 -2,-0.6 -7,-0.1 -0.792 15.7-145.6-103.9 111.8 -17.4 57.1 -20.2 56 55 A T E -D 91 0A 91 -2,-0.7 2,-0.3 35,-0.3 35,-0.2 -0.314 24.0-171.6 -65.1 153.2 -16.3 53.5 -20.9 57 56 A F E -D 90 0A 11 33,-1.3 33,-0.7 3,-0.0 2,-0.1 -0.995 15.2-119.5-155.2 156.5 -12.6 53.0 -21.5 58 57 A T > - 0 0 67 -2,-0.3 4,-2.4 31,-0.1 5,-0.1 -0.389 30.5-107.3 -94.8 162.8 -10.1 50.4 -22.6 59 58 A S H > S+ 0 0 51 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.903 123.0 51.7 -47.5 -47.7 -7.2 48.7 -21.0 60 59 A Q H > S+ 0 0 138 1,-0.2 4,-2.4 2,-0.2 3,-0.2 0.954 109.6 48.6 -59.6 -50.5 -4.9 50.8 -23.4 61 60 A Q H > S+ 0 0 43 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.859 106.0 59.4 -55.9 -37.3 -6.7 54.0 -22.2 62 61 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.922 107.8 44.2 -59.7 -44.9 -6.2 52.7 -18.6 63 62 A Y H X S+ 0 0 106 -4,-2.0 4,-2.6 -3,-0.2 -2,-0.2 0.926 113.1 51.8 -62.0 -46.6 -2.4 52.7 -19.1 64 63 A Q H X S+ 0 0 98 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.917 111.4 47.2 -55.7 -46.1 -2.5 56.1 -20.9 65 64 A L H X S+ 0 0 0 -4,-3.1 4,-1.8 2,-0.2 -1,-0.2 0.897 109.6 53.2 -65.1 -40.5 -4.5 57.5 -17.9 66 65 A A H X S+ 0 0 7 -4,-2.3 4,-0.9 -5,-0.2 -2,-0.2 0.916 110.8 47.6 -59.8 -44.4 -2.0 55.9 -15.4 67 66 A D H >< S+ 0 0 104 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.958 110.7 50.6 -59.6 -51.7 0.9 57.6 -17.2 68 67 A A H 3< S+ 0 0 32 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.814 113.3 46.0 -59.0 -32.1 -0.8 61.0 -17.4 69 68 A L H >X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.1 3,-2.5 0.541 81.7 114.4 -92.0 -9.5 -1.6 60.9 -13.6 70 69 A K T << S+ 0 0 128 -3,-1.0 4,-0.1 -4,-0.9 -3,-0.0 -0.451 90.7 13.9 -56.0 123.9 1.9 59.8 -12.6 71 70 A G T 34 S+ 0 0 86 -2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.468 124.3 65.9 79.4 -0.2 3.3 62.8 -10.7 72 71 A I T <4 S- 0 0 78 -3,-2.5 2,-0.4 1,-0.1 -2,-0.2 0.703 121.6 -1.8-110.2 -57.3 -0.2 64.3 -10.4 73 72 A D X - 0 0 48 -4,-2.5 4,-2.2 1,-0.1 5,-0.2 -0.896 61.0-168.6-136.5 110.4 -2.0 61.8 -8.1 74 73 A A H > S+ 0 0 78 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.939 87.2 50.1 -63.9 -49.9 0.0 58.7 -7.1 75 74 A A H > S+ 0 0 49 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.934 113.1 45.3 -52.1 -55.2 -2.9 56.7 -5.7 76 75 A Q H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.886 112.5 52.2 -58.9 -43.6 -5.1 57.2 -8.8 77 76 A S H X S+ 0 0 14 -4,-2.2 4,-2.2 -8,-0.3 -1,-0.2 0.951 109.7 48.4 -55.6 -53.6 -2.2 56.4 -11.1 78 77 A A H X S+ 0 0 57 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.851 110.7 51.8 -57.2 -37.5 -1.5 53.2 -9.3 79 78 A L H X S+ 0 0 12 -4,-2.1 4,-3.3 -5,-0.2 -1,-0.2 0.925 108.4 50.4 -66.4 -44.9 -5.2 52.2 -9.4 80 79 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.888 106.0 56.6 -61.8 -39.0 -5.4 52.8 -13.2 81 80 A S H X S+ 0 0 52 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.948 112.5 41.8 -53.4 -50.8 -2.3 50.6 -13.6 82 81 A R H >X S+ 0 0 90 -4,-1.9 3,-1.7 1,-0.2 4,-0.8 0.935 112.0 54.2 -61.5 -49.3 -4.2 47.8 -11.8 83 82 A L H >< S+ 0 0 2 -4,-3.3 3,-1.0 1,-0.3 -1,-0.2 0.856 99.1 64.3 -54.1 -37.5 -7.4 48.6 -13.7 84 83 A A H 3< S+ 0 0 1 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.735 101.6 49.9 -58.8 -26.3 -5.5 48.2 -17.0 85 84 A E H << S+ 0 0 103 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.696 88.4 120.5 -84.0 -20.6 -4.9 44.5 -16.2 86 85 A S << - 0 0 20 -3,-1.0 412,-0.2 -4,-0.8 411,-0.1 -0.000 55.6-153.3 -56.5 152.6 -8.5 43.8 -15.4 87 86 A Q S S+ 0 0 159 410,-1.9 -1,-0.1 409,-0.1 411,-0.1 0.789 76.8 78.3 -87.7 -32.4 -10.6 41.3 -17.3 88 87 A K S S- 0 0 56 409,-0.5 -73,-0.1 408,-0.3 2,-0.1 -0.311 94.0 -86.9 -82.9 158.4 -13.8 43.2 -16.5 89 88 A P - 0 0 36 0, 0.0 -75,-2.2 0, 0.0 2,-0.3 -0.379 40.3-139.9 -72.5 143.1 -15.1 46.4 -18.3 90 89 A L E -BD 13 57A 11 -33,-0.7 -33,-1.3 -77,-0.2 2,-0.3 -0.704 16.2-173.3-103.8 149.0 -14.0 49.8 -17.1 91 90 A V E -BD 12 56A 1 -79,-2.3 -79,-2.8 -2,-0.3 2,-0.6 -0.981 12.9-156.6-139.6 131.9 -16.0 53.1 -16.7 92 91 A A E -BD 11 55A 0 -37,-3.3 -37,-3.2 -2,-0.3 2,-0.6 -0.933 15.3-164.6-102.4 121.9 -14.8 56.6 -15.9 93 92 A T E -BD 10 54A 0 -83,-2.2 -83,-1.9 -2,-0.6 2,-0.5 -0.955 7.7-178.0-114.1 118.5 -17.6 58.6 -14.4 94 93 A L E -BD 9 53A 0 -41,-2.1 -41,-3.3 -2,-0.6 2,-0.6 -0.978 4.8-168.9-119.2 122.7 -17.1 62.4 -14.3 95 94 A L E -BD 8 52A 0 -87,-2.8 -87,-1.9 -2,-0.5 -88,-1.7 -0.955 13.5-174.7-119.2 112.4 -19.8 64.5 -12.8 96 95 A A S S+ 0 0 13 -45,-1.0 2,-0.3 -2,-0.6 -1,-0.2 0.896 77.6 23.3 -69.0 -39.8 -19.5 68.3 -13.2 97 96 A E S S- 0 0 127 -91,-0.1 2,-1.1 -3,-0.1 -1,-0.1 -0.856 78.0-114.5-128.1 160.1 -22.5 68.7 -11.0 98 97 A D + 0 0 57 -2,-0.3 2,-0.3 -91,-0.1 -46,-0.0 -0.796 66.0 137.3 -86.4 90.0 -24.4 67.0 -8.2 99 98 A A - 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