==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-MAR-11 3QY9 . COMPND 2 MOLECULE: DIHYDRODIPICOLINATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR T.S.GIRISH,B.GOPAL . 962 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41199.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 692 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 157 16.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 9.4 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 . 4 0.4 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 . 69 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 237 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 0 0 0 1 0 3 1 4 4 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 13 7 4 0 4 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 4 2 4 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 4 0 0 2 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 0 A S 0 0 108 0, 0.0 2,-0.3 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 175.6 -10.9 26.7 -5.4 2 1 A M - 0 0 9 18,-0.1 24,-2.5 51,-0.0 2,-0.6 -0.794 360.0-133.7-119.0 153.4 -14.4 28.1 -5.8 3 2 A K E -a 26 0A 70 -2,-0.3 50,-3.4 48,-0.2 51,-1.2 -0.940 38.9-157.2-100.1 118.1 -16.4 31.3 -5.1 4 3 A I E -ab 27 54A 0 22,-3.0 24,-1.8 -2,-0.6 25,-1.2 -0.818 18.1-155.5-110.2 133.5 -19.6 30.1 -3.4 5 4 A L E -ab 29 55A 0 49,-2.8 51,-2.8 -2,-0.4 2,-0.6 -0.912 16.9-149.8 -98.8 129.3 -23.0 31.6 -3.0 6 5 A L E -ab 30 56A 0 23,-2.8 25,-2.6 -2,-0.5 2,-0.7 -0.894 3.3-158.5-103.1 115.6 -24.9 30.4 0.0 7 6 A I E S+ab 31 57A 4 49,-1.8 51,-2.0 -2,-0.6 25,-0.2 -0.859 74.3 5.2 -91.1 116.2 -28.7 30.3 -0.3 8 7 A G - 0 0 5 23,-3.4 23,-0.2 -2,-0.7 50,-0.2 0.191 68.4-139.0 82.8 148.4 -30.0 30.4 3.3 9 8 A Y + 0 0 31 21,-0.1 -1,-0.1 48,-0.1 50,-0.1 -0.306 49.1 130.9-141.0 54.4 -27.7 30.8 6.3 10 9 A G S > S- 0 0 38 48,-0.6 4,-1.8 1,-0.0 5,-0.2 -0.109 80.4 -65.7 -84.6-166.9 -28.9 28.5 9.0 11 10 A A H > S+ 0 0 66 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.852 132.9 52.7 -50.9 -40.8 -26.8 26.0 11.0 12 11 A M H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.919 109.4 44.3 -70.6 -46.5 -26.0 24.0 7.9 13 12 A N H > S+ 0 0 0 45,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.744 109.3 59.5 -70.8 -20.6 -24.7 26.8 5.6 14 13 A Q H X S+ 0 0 95 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.880 107.3 46.3 -65.8 -41.0 -22.8 28.1 8.6 15 14 A R H X S+ 0 0 69 -4,-1.7 4,-3.1 2,-0.2 5,-0.3 0.928 111.7 51.3 -63.1 -46.5 -21.0 24.7 8.6 16 15 A V H X S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.909 108.9 51.8 -56.8 -45.2 -20.6 25.0 4.9 17 16 A A H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.945 113.5 42.7 -57.2 -53.2 -19.0 28.4 5.3 18 17 A R H X S+ 0 0 100 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.925 120.3 42.5 -58.3 -48.5 -16.5 27.2 8.0 19 18 A L H X S+ 0 0 12 -4,-3.1 4,-0.9 2,-0.2 -2,-0.2 0.833 112.7 52.1 -72.4 -34.8 -15.7 24.0 6.0 20 19 A A H ><>S+ 0 0 0 -4,-3.2 5,-2.2 -5,-0.3 3,-0.6 0.927 110.6 48.1 -66.7 -44.9 -15.5 25.7 2.6 21 20 A E H ><5S+ 0 0 97 -4,-2.2 3,-1.4 -5,-0.3 -2,-0.2 0.873 107.1 56.5 -63.3 -38.6 -13.1 28.4 3.9 22 21 A E H 3<5S+ 0 0 147 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.752 106.3 52.0 -62.1 -26.2 -10.9 25.6 5.4 23 22 A K T <<5S- 0 0 107 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.441 126.2-101.8 -89.0 -3.8 -10.7 24.1 1.9 24 23 A G T < 5S+ 0 0 49 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.393 82.1 127.5 97.4 -2.1 -9.6 27.4 0.4 25 24 A H < - 0 0 14 -5,-2.2 2,-0.4 -6,-0.2 -1,-0.3 -0.358 49.8-136.9 -75.9 164.1 -12.9 28.3 -1.1 26 25 A E E -a 3 0A 107 -24,-2.5 -22,-3.0 -3,-0.1 2,-0.8 -0.990 7.9-132.3-128.4 138.3 -14.5 31.7 -0.5 27 26 A I E +a 4 0A 13 -2,-0.4 14,-0.3 -24,-0.2 -22,-0.2 -0.787 26.8 176.5 -83.1 109.3 -18.1 32.7 0.4 28 27 A V E + 0 0 31 -24,-1.8 2,-0.3 -2,-0.8 -23,-0.2 0.623 60.5 1.0 -91.4 -15.5 -18.8 35.6 -2.0 29 28 A G E -a 5 0A 0 -25,-1.2 -23,-2.8 11,-0.1 2,-0.4 -0.976 51.1-150.7-170.3 154.9 -22.5 36.0 -1.1 30 29 A V E -ac 6 42A 0 11,-2.5 13,-2.6 -2,-0.3 2,-0.5 -0.997 5.9-159.5-130.7 134.7 -25.4 35.0 1.1 31 30 A I E +a 7 0A 5 -25,-2.6 -23,-3.4 -2,-0.4 2,-0.3 -0.977 30.2 167.8-113.4 120.0 -29.2 35.2 0.2 32 31 A E - 0 0 35 -2,-0.5 27,-0.0 11,-0.5 -2,-0.0 -0.810 45.7-126.6-133.0 161.6 -31.2 35.1 3.4 33 32 A N S S+ 0 0 87 1,-0.3 -1,-0.1 -2,-0.3 0, 0.0 0.985 107.0 5.6 -70.4 -64.5 -34.7 35.6 4.8 34 33 A T S S- 0 0 80 2,-0.0 -1,-0.3 0, 0.0 0, 0.0 -0.914 90.3-142.8-123.6 101.5 -33.8 38.1 7.6 35 34 A P 0 0 71 0, 0.0 7,-0.0 0, 0.0 -4,-0.0 -0.179 360.0 360.0 -61.5 154.7 -30.1 39.0 7.3 36 35 A K 0 0 201 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.173 360.0 360.0-104.4 360.0 -27.7 39.6 10.2 37 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 38 38 A T 0 0 49 0, 0.0 4,-0.1 0, 0.0 -8,-0.0 0.000 360.0 360.0 360.0 123.6 -23.3 37.3 9.2 39 39 A P + 0 0 103 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.373 360.0 83.5 -87.5 4.4 -19.8 38.2 7.9 40 40 A Y S S- 0 0 43 1,-0.1 2,-0.2 -11,-0.0 -12,-0.1 -0.583 88.6 -84.1-109.3 168.6 -20.6 37.9 4.2 41 41 A Q - 0 0 48 -14,-0.3 -11,-2.5 -2,-0.2 2,-0.4 -0.509 43.4-132.1 -73.4 133.8 -22.1 40.1 1.5 42 42 A Q B -c 30 0A 62 -2,-0.2 2,-0.3 -13,-0.2 -11,-0.2 -0.747 26.6-178.7 -95.2 128.9 -25.9 40.1 1.3 43 43 A Y - 0 0 60 -13,-2.6 -11,-0.5 -2,-0.4 3,-0.1 -0.870 27.6-162.4-124.4 158.7 -27.8 39.6 -2.0 44 44 A Q S S+ 0 0 130 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.540 81.9 39.1-109.8 -17.7 -31.5 39.5 -3.0 45 45 A H > - 0 0 75 1,-0.1 4,-0.5 25,-0.0 3,-0.4 -0.990 67.6-137.5-140.4 144.7 -30.8 37.8 -6.4 46 46 A I T >4 S+ 0 0 10 -2,-0.3 3,-0.7 1,-0.2 6,-0.2 0.814 105.8 59.2 -70.1 -32.9 -28.5 35.1 -7.7 47 47 A A T 34 S+ 0 0 67 1,-0.2 -1,-0.2 24,-0.1 25,-0.0 0.772 97.3 63.9 -65.1 -26.9 -27.7 37.0 -10.9 48 48 A D T 34 S+ 0 0 77 -3,-0.4 2,-1.1 1,-0.1 -1,-0.2 0.779 76.2 94.6 -67.9 -30.7 -26.4 39.9 -8.7 49 49 A V X< - 0 0 8 -3,-0.7 3,-1.0 -4,-0.5 -1,-0.1 -0.533 65.8-161.3 -73.4 98.3 -23.6 37.7 -7.3 50 50 A K T 3 S+ 0 0 197 -2,-1.1 -1,-0.2 1,-0.2 -4,-0.0 0.891 73.9 21.6 -48.8 -72.3 -20.7 38.7 -9.6 51 51 A G T 3 S+ 0 0 46 -23,-0.1 -1,-0.2 -47,-0.1 -48,-0.2 0.000 82.8 144.7 -97.7 29.3 -18.0 36.0 -9.5 52 52 A A < - 0 0 15 -3,-1.0 -48,-0.2 -6,-0.2 3,-0.1 -0.444 27.8-175.3 -70.2 137.1 -20.0 33.1 -8.1 53 53 A D S S- 0 0 63 -50,-3.4 2,-0.3 1,-0.4 -49,-0.2 0.670 70.4 -5.2 -97.3 -28.0 -19.0 29.6 -9.4 54 54 A V E -b 4 0A 0 -51,-1.2 -49,-2.8 20,-0.1 2,-0.4 -0.984 59.8-129.9-162.9 153.3 -21.8 27.7 -7.6 55 55 A A E -bd 5 76A 1 20,-2.2 22,-3.2 -2,-0.3 2,-0.5 -0.965 13.4-159.5-112.0 135.8 -24.6 28.1 -5.2 56 56 A I E -bd 6 77A 0 -51,-2.8 -49,-1.8 -2,-0.4 2,-0.6 -0.973 15.1-159.4-112.3 117.8 -25.1 25.8 -2.2 57 57 A D E +bd 7 78A 2 20,-3.7 22,-2.3 -2,-0.5 23,-0.3 -0.875 29.9 155.4-107.4 116.9 -28.6 25.8 -0.9 58 58 A F + 0 0 40 -51,-2.0 -48,-0.6 -2,-0.6 -45,-0.3 -0.757 51.3 88.5-128.2 84.6 -29.7 24.7 2.6 59 59 A S S S- 0 0 34 -2,-0.3 22,-0.3 -51,-0.1 23,-0.1 -0.241 72.2 -77.9-141.6-130.1 -32.9 26.7 3.1 60 60 A N >> - 0 0 69 20,-0.1 4,-2.8 -2,-0.1 3,-0.8 -0.952 36.8-101.5-146.9 161.6 -36.7 26.4 2.5 61 61 A P H 3> S+ 0 0 26 0, 0.0 4,-2.6 0, 0.0 -1,-0.1 0.879 116.0 61.0 -51.1 -45.4 -39.2 26.7 -0.4 62 62 A N H 34 S+ 0 0 142 1,-0.2 0, 0.0 2,-0.2 0, 0.0 0.816 116.7 30.9 -54.9 -36.4 -40.4 30.2 0.7 63 63 A L H <> S+ 0 0 28 -3,-0.8 4,-0.5 2,-0.1 -1,-0.2 0.865 126.8 41.4 -86.4 -43.0 -36.8 31.5 0.2 64 64 A L H >X S+ 0 0 1 -4,-2.8 4,-2.0 1,-0.2 3,-0.9 0.913 102.4 62.6 -76.5 -47.7 -35.7 29.3 -2.7 65 65 A F H 3X S+ 0 0 51 -4,-2.6 4,-1.3 1,-0.3 -1,-0.2 0.836 104.3 47.4 -53.7 -43.7 -38.7 29.0 -5.0 66 66 A P H 34 S+ 0 0 68 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.787 112.0 52.6 -68.7 -24.9 -38.9 32.8 -5.9 67 67 A L H X< S+ 0 0 14 -3,-0.9 3,-0.9 -4,-0.5 -2,-0.2 0.840 108.8 48.6 -75.2 -35.5 -35.1 32.7 -6.5 68 68 A L H 3< S+ 0 0 11 -4,-2.0 -1,-0.2 1,-0.2 4,-0.1 0.763 100.9 65.5 -72.7 -27.5 -35.3 29.8 -8.9 69 69 A D T 3< S+ 0 0 145 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.437 92.4 89.1 -75.9 0.1 -38.2 31.5 -10.8 70 70 A E S < S- 0 0 74 -3,-0.9 2,-0.8 1,-0.0 -3,-0.0 -0.428 88.8 -92.7-100.2 172.4 -35.8 34.2 -11.9 71 71 A D + 0 0 141 -2,-0.1 2,-0.3 2,-0.0 -24,-0.1 -0.755 68.6 117.5 -93.0 106.0 -33.4 34.7 -14.9 72 72 A F - 0 0 12 -2,-0.8 2,-0.4 -4,-0.1 -25,-0.1 -0.961 51.1-136.0-156.7 168.2 -29.9 33.4 -14.1 73 73 A H + 0 0 137 -2,-0.3 25,-0.1 -27,-0.1 -2,-0.0 -0.899 47.2 124.1-137.1 106.7 -27.1 30.9 -15.0 74 74 A L - 0 0 16 -2,-0.4 2,-0.1 25,-0.1 -20,-0.1 -0.955 61.4-103.0-159.1 140.1 -25.3 29.2 -12.2 75 75 A P - 0 0 21 0, 0.0 -20,-2.2 0, 0.0 2,-0.5 -0.472 43.4-153.1 -59.7 135.2 -24.5 25.6 -11.0 76 76 A L E -de 55 100A 4 23,-1.8 25,-3.4 -22,-0.2 2,-0.6 -0.971 20.5-166.5-123.0 126.5 -26.8 24.8 -8.1 77 77 A V E -de 56 101A 1 -22,-3.2 -20,-3.7 -2,-0.5 2,-0.5 -0.952 23.3-169.2-106.6 108.4 -26.3 22.4 -5.2 78 78 A V E +de 57 102A 2 23,-2.9 25,-1.7 -2,-0.6 -20,-0.1 -0.896 27.3 159.4-113.0 118.8 -29.8 22.1 -3.7 79 79 A A + 0 0 10 -22,-2.3 -21,-0.2 -2,-0.5 -1,-0.1 0.432 31.6 130.9-114.0 -4.8 -30.4 20.4 -0.4 80 80 A T - 0 0 4 -23,-0.3 -20,-0.1 1,-0.1 -22,-0.0 -0.305 37.7-167.4 -54.8 125.7 -33.8 21.9 0.5 81 81 A T + 0 0 81 -22,-0.3 3,-0.4 23,-0.1 2,-0.3 0.214 48.4 111.9-104.2 12.1 -36.2 19.1 1.5 82 82 A G S S- 0 0 24 1,-0.2 5,-0.1 -23,-0.1 -23,-0.0 -0.718 85.3 -6.5 -93.8 139.2 -39.4 21.1 1.3 83 83 A E S > S- 0 0 140 -2,-0.3 4,-2.0 1,-0.1 3,-0.4 0.908 71.2-172.9 46.9 59.7 -42.2 20.6 -1.3 84 84 A K H > S+ 0 0 52 -3,-0.4 4,-2.4 1,-0.2 5,-0.2 0.787 73.8 57.7 -52.8 -37.7 -40.2 18.0 -3.3 85 85 A E H > S+ 0 0 89 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.933 112.6 36.0 -62.5 -53.0 -42.7 17.8 -6.2 86 86 A K H > S+ 0 0 60 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.814 116.9 55.0 -71.7 -32.6 -42.8 21.5 -7.2 87 87 A L H X S+ 0 0 16 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.925 107.3 48.4 -65.8 -47.2 -39.0 21.9 -6.4 88 88 A L H X S+ 0 0 63 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.755 108.1 57.1 -66.0 -26.4 -38.0 19.0 -8.8 89 89 A N H X S+ 0 0 59 -4,-1.0 4,-1.4 2,-0.2 -1,-0.2 0.898 112.3 39.7 -67.5 -43.2 -40.3 20.5 -11.5 90 90 A K H X S+ 0 0 28 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.863 115.2 51.8 -74.6 -38.9 -38.4 23.8 -11.3 91 91 A L H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.850 107.1 54.7 -64.2 -36.8 -35.0 22.1 -11.0 92 92 A D H < S+ 0 0 93 -4,-1.6 4,-0.4 2,-0.2 -2,-0.2 0.913 110.0 46.0 -60.5 -46.6 -35.8 20.0 -14.0 93 93 A E H >< S+ 0 0 145 -4,-1.4 3,-1.1 1,-0.2 -2,-0.2 0.901 113.1 48.8 -63.4 -44.2 -36.5 23.2 -16.1 94 94 A L H >X S+ 0 0 21 -4,-2.3 3,-1.8 1,-0.2 4,-1.1 0.789 98.9 68.1 -68.2 -28.3 -33.3 24.9 -14.9 95 95 A S T 3< S+ 0 0 5 -4,-1.7 138,-0.3 1,-0.3 -1,-0.2 0.625 87.8 67.3 -68.5 -14.6 -31.2 21.8 -15.6 96 96 A Q T <4 S+ 0 0 131 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.649 114.8 28.3 -73.5 -16.4 -31.8 22.4 -19.4 97 97 A N T <4 S+ 0 0 91 -3,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.492 128.7 15.5-126.2 -11.0 -29.8 25.6 -19.0 98 98 A M S < S- 0 0 5 -4,-1.1 135,-1.4 -25,-0.1 2,-0.4 -0.974 87.4 -80.8-157.1 162.0 -27.3 25.0 -16.2 99 99 A P E - 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