==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 30-MAR-07 2PCQ . COMPND 2 MOLECULE: PUTATIVE DIHYDRODIPICOLINATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR J.JEYAKANTHAN,S.P.KANAUJIA,C.VASUKI RANJANI,K.SEKAR,Y.KITAMU . 283 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12351.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 1 0.4 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 . 18 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 1 1 0 1 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 4 1 2 1 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 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 . 0 0 0 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 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 1 A X 0 0 62 0, 0.0 191,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 171.8 63.1 29.2 0.0 2 2 A I E +a 192 0A 2 189,-0.2 31,-2.0 191,-0.1 32,-0.7 -0.987 360.0 169.9-124.6 118.2 62.9 27.2 3.3 3 3 A L E -a 193 0A 3 189,-2.2 191,-1.0 -2,-0.5 194,-0.2 -0.989 22.2-141.5-130.0 137.8 60.5 24.4 3.5 4 4 A P - 0 0 0 0, 0.0 32,-2.0 0, 0.0 2,-1.3 -0.781 15.2-130.6-101.5 144.5 60.2 21.8 6.3 5 5 A P E -b 36 0A 1 0, 0.0 32,-0.2 0, 0.0 193,-0.1 -0.749 35.8-146.5 -87.6 94.4 59.4 18.1 5.6 6 6 A I E -b 37 0A 0 -2,-1.3 32,-0.5 30,-1.1 33,-0.4 -0.368 10.1-120.6 -66.8 138.2 56.6 17.8 8.2 7 7 A P - 0 0 0 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.308 19.3-120.7 -73.0 161.9 56.3 14.5 10.0 8 8 A T - 0 0 0 33,-0.3 2,-0.1 29,-0.0 10,-0.1 -0.935 32.0-128.0-107.2 113.6 53.0 12.5 9.9 9 9 A P + 0 0 0 0, 0.0 8,-2.4 0, 0.0 2,-0.3 -0.348 30.0 174.0 -65.8 136.2 51.6 12.0 13.4 10 10 A F B -I 16 0B 1 244,-0.4 244,-2.8 242,-0.3 6,-0.2 -0.943 31.0-120.5-132.9 149.3 50.6 8.5 14.7 11 11 A D > - 0 0 38 4,-1.9 3,-1.8 -2,-0.3 243,-0.1 -0.262 46.9 -84.4 -80.0-178.0 49.5 7.9 18.3 12 12 A R T 3 S+ 0 0 131 1,-0.3 -1,-0.1 2,-0.1 249,-0.0 0.769 131.2 55.0 -59.5 -26.9 51.6 5.4 20.4 13 13 A E T 3 S- 0 0 120 2,-0.1 -1,-0.3 243,-0.1 243,-0.0 0.524 121.9-104.6 -84.6 -6.2 49.6 2.5 18.9 14 14 A G < + 0 0 5 -3,-1.8 2,-0.4 1,-0.3 -2,-0.1 0.587 69.0 148.0 95.9 10.6 50.4 3.5 15.3 15 15 A R - 0 0 143 1,-0.1 -4,-1.9 241,-0.0 -1,-0.3 -0.648 55.2-110.3 -82.2 132.9 47.1 5.0 14.4 16 16 A L B -I 10 0B 17 -2,-0.4 2,-0.8 -6,-0.2 -6,-0.3 -0.395 27.1-149.6 -60.1 132.9 47.2 7.9 11.9 17 17 A D > + 0 0 53 -8,-2.4 4,-2.2 1,-0.2 5,-0.1 -0.812 19.2 177.1-111.4 90.8 46.2 11.0 13.8 18 18 A E H > S+ 0 0 55 -2,-0.8 4,-2.3 1,-0.2 5,-0.2 0.880 80.3 52.6 -58.2 -44.2 44.5 13.3 11.2 19 19 A E H > S+ 0 0 110 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.930 111.6 46.1 -59.9 -46.7 43.6 16.0 13.7 20 20 A A H > S+ 0 0 9 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.893 109.6 55.6 -63.0 -40.0 47.2 16.2 14.9 21 21 A F H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.934 110.5 44.6 -58.1 -48.4 48.5 16.2 11.3 22 22 A R H X S+ 0 0 79 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.902 114.2 48.6 -64.5 -42.9 46.3 19.3 10.5 23 23 A E H X S+ 0 0 109 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.894 110.6 51.5 -65.6 -40.2 47.3 21.1 13.7 24 24 A L H X S+ 0 0 0 -4,-2.7 4,-1.2 227,-0.3 3,-0.2 0.927 109.7 49.1 -62.6 -46.1 51.0 20.5 13.2 25 25 A A H X S+ 0 0 6 -4,-2.1 4,-2.6 1,-0.2 3,-0.4 0.897 111.0 50.2 -61.0 -41.3 50.9 21.8 9.6 26 26 A Q H < S+ 0 0 111 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.780 108.3 53.5 -68.9 -27.7 49.0 25.0 10.8 27 27 A A H < S+ 0 0 40 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.718 119.1 32.6 -80.2 -21.9 51.6 25.6 13.5 28 28 A L H >< S+ 0 0 2 -4,-1.2 3,-1.7 -3,-0.4 4,-0.5 0.810 99.3 75.0-103.3 -38.0 54.5 25.5 11.2 29 29 A E G >< S+ 0 0 9 -4,-2.6 3,-1.3 1,-0.3 -3,-0.1 0.800 90.6 58.6 -47.7 -40.2 53.4 26.8 7.8 30 30 A P G 3 S+ 0 0 89 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.809 104.5 53.1 -62.6 -27.4 53.4 30.5 8.9 31 31 A L G < S+ 0 0 56 -3,-1.7 2,-0.2 -4,-0.1 -2,-0.2 0.537 111.5 47.5 -84.9 -7.7 57.1 30.3 9.8 32 32 A V S < S- 0 0 9 -3,-1.3 -29,-0.2 -4,-0.5 3,-0.1 -0.780 83.4-111.5-130.8 172.9 58.1 28.9 6.4 33 33 A D S S- 0 0 56 -31,-2.0 2,-0.3 -2,-0.2 -30,-0.2 0.714 91.6 -36.4 -76.2 -22.1 57.7 29.5 2.6 34 34 A G - 0 0 0 -32,-0.7 2,-0.3 29,-0.1 -1,-0.2 -0.963 63.6 -97.4 176.9 175.7 55.8 26.3 2.2 35 35 A L - 0 0 0 29,-0.4 31,-2.9 -2,-0.3 2,-0.6 -0.855 11.6-146.4-118.7 152.6 55.4 22.7 3.4 36 36 A L E > -bc 5 66A 0 -32,-2.0 -30,-1.1 -2,-0.3 3,-0.5 -0.970 21.6-159.3-114.5 111.6 56.6 19.4 2.0 37 37 A V E 3 S+bc 6 67A 0 29,-3.3 31,-3.4 -2,-0.6 5,-0.0 -0.788 73.2 7.4 -94.1 134.8 54.0 16.7 2.9 38 38 A Y T 3 S+ 0 0 7 -32,-0.5 -1,-0.2 -2,-0.4 29,-0.1 0.889 88.0 157.0 63.4 41.6 55.1 13.1 2.9 39 39 A G X > - 0 0 1 -3,-0.5 3,-1.8 -33,-0.4 5,-0.7 -0.131 66.2 -77.3 -80.1-172.3 58.8 13.9 2.5 40 40 A S T 3 5S+ 0 0 24 1,-0.3 3,-0.5 2,-0.2 5,-0.1 0.786 138.4 47.0 -61.7 -26.0 61.5 11.4 3.6 41 41 A N T 3 5S+ 0 0 31 1,-0.2 -33,-0.3 2,-0.1 -1,-0.3 0.429 97.8 76.9 -92.3 1.0 60.9 12.5 7.2 42 42 A G T < 5S- 0 0 0 -3,-1.8 -1,-0.2 -35,-0.2 -2,-0.2 0.376 95.1-128.5 -93.3 4.4 57.1 12.2 6.7 43 43 A E T > 5 + 0 0 10 -3,-0.5 3,-1.6 -4,-0.2 4,-0.1 0.803 51.0 154.6 53.3 35.6 56.8 8.4 6.9 44 44 A G G > - 0 0 68 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.461 40.2-100.8 -81.9 162.9 48.6 2.3 3.1 49 49 A P H > S+ 0 0 80 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.867 125.5 52.4 -53.1 -36.2 47.2 4.0 0.0 50 50 A E H > S+ 0 0 97 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.930 111.7 43.3 -66.1 -47.3 44.0 4.6 2.0 51 51 A E H > S+ 0 0 25 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.884 110.8 57.8 -66.1 -37.8 45.7 6.3 4.9 52 52 A R H X S+ 0 0 27 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.923 111.2 40.9 -57.2 -48.3 47.9 8.3 2.4 53 53 A A H X S+ 0 0 11 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.893 115.8 51.0 -68.3 -40.8 44.8 9.8 0.8 54 54 A R H X S+ 0 0 60 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.923 108.1 52.2 -63.6 -45.6 43.1 10.3 4.1 55 55 A G H < S+ 0 0 0 -4,-3.4 3,-0.4 1,-0.2 4,-0.4 0.906 110.9 46.2 -58.5 -44.2 46.1 12.1 5.6 56 56 A L H >< S+ 0 0 10 -4,-1.6 3,-1.1 1,-0.2 -1,-0.2 0.856 107.4 57.0 -69.0 -35.4 46.4 14.6 2.8 57 57 A R H 3< S+ 0 0 144 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.737 99.6 61.7 -66.6 -22.7 42.6 15.3 2.8 58 58 A A T 3< S+ 0 0 8 -4,-1.1 -1,-0.3 -3,-0.4 2,-0.2 0.674 93.5 82.4 -77.1 -17.3 42.9 16.3 6.4 59 59 A L < - 0 0 3 -3,-1.1 -37,-0.1 -4,-0.4 -36,-0.0 -0.562 51.1-175.1 -91.9 154.8 45.3 19.1 5.5 60 60 A R - 0 0 169 -2,-0.2 -3,-0.1 -38,-0.2 -1,-0.0 -0.525 14.9-167.6-144.7 68.8 44.5 22.6 4.3 61 61 A P - 0 0 33 0, 0.0 4,-0.1 0, 0.0 -35,-0.1 -0.306 12.8-162.0 -60.4 141.9 47.8 24.4 3.5 62 62 A R S S+ 0 0 214 2,-0.1 -36,-0.0 -36,-0.0 3,-0.0 0.580 75.3 57.4 -98.8 -15.9 47.5 28.1 2.9 63 63 A K S S- 0 0 67 1,-0.1 -28,-0.2 0, 0.0 -29,-0.1 -0.803 106.7 -79.6-114.0 156.0 50.8 28.3 1.1 64 64 A P - 0 0 86 0, 0.0 -29,-0.4 0, 0.0 2,-0.3 -0.309 60.2-169.2 -53.6 129.5 52.0 26.5 -2.0 65 65 A F - 0 0 10 23,-0.3 25,-2.5 -31,-0.2 26,-0.8 -0.827 19.1-135.9-126.1 163.9 53.1 23.0 -0.9 66 66 A L E -cd 36 91A 5 -31,-2.9 -29,-3.3 -2,-0.3 2,-0.4 -0.840 11.3-151.3-114.8 151.9 54.8 19.9 -2.2 67 67 A V E -cd 37 92A 7 24,-1.8 26,-1.8 -2,-0.3 2,-0.2 -0.990 15.4-132.5-126.8 126.3 53.8 16.3 -1.8 68 68 A G E - d 0 93A 8 -31,-3.4 2,-0.5 -2,-0.4 26,-0.2 -0.557 17.2-162.1 -76.5 138.8 56.4 13.5 -1.7 69 69 A L E + d 0 94A 3 24,-2.6 26,-1.6 -2,-0.2 2,-0.5 -0.945 14.9 170.1-126.1 108.4 55.6 10.5 -4.0 70 70 A X + 0 0 28 -2,-0.5 2,-0.3 24,-0.2 24,-0.1 -0.854 19.3 140.0-123.1 95.4 57.4 7.3 -3.2 71 71 A E - 0 0 34 -2,-0.5 3,-0.1 24,-0.4 -2,-0.1 -0.849 49.4-136.6-129.5 165.8 56.1 4.3 -5.1 72 72 A E S S+ 0 0 59 -2,-0.3 2,-0.3 25,-0.2 28,-0.1 0.670 84.2 25.8 -96.2 -22.5 57.6 1.3 -6.8 73 73 A T S > S- 0 0 59 1,-0.1 4,-2.0 24,-0.1 5,-0.1 -0.933 74.9-113.7-141.5 164.1 55.5 1.3 -9.9 74 74 A L H > S+ 0 0 73 -2,-0.3 4,-2.5 2,-0.2 -1,-0.1 0.915 114.5 55.1 -64.2 -43.9 53.5 3.5 -12.2 75 75 A P H > S+ 0 0 101 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.921 113.2 42.4 -57.0 -41.4 50.2 1.8 -11.3 76 76 A Q H > S+ 0 0 95 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.839 113.6 53.7 -71.4 -33.4 50.8 2.5 -7.6 77 77 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.837 93.2 72.3 -69.6 -34.7 52.0 6.0 -8.4 78 78 A E H X S+ 0 0 127 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.894 99.2 44.2 -49.5 -50.4 48.9 6.9 -10.4 79 79 A G H X S+ 0 0 20 -4,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.906 112.1 52.4 -63.7 -42.1 46.6 7.2 -7.3 80 80 A A H X S+ 0 0 9 -4,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.910 111.7 47.1 -60.0 -42.9 49.2 9.1 -5.3 81 81 A L H X S+ 0 0 7 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.930 110.8 50.3 -65.9 -45.9 49.6 11.6 -8.1 82 82 A L H X S+ 0 0 98 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.892 111.7 49.5 -59.4 -40.5 45.8 12.1 -8.5 83 83 A E H X S+ 0 0 52 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.914 111.1 48.5 -64.2 -44.9 45.4 12.6 -4.8 84 84 A A H X>S+ 0 0 0 -4,-2.1 5,-2.2 1,-0.2 4,-0.5 0.900 112.2 49.3 -63.0 -42.1 48.2 15.2 -4.7 85 85 A K H ><5S+ 0 0 124 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.904 109.5 50.9 -65.0 -42.2 46.8 17.0 -7.7 86 86 A A H 3<5S+ 0 0 93 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.776 105.4 57.6 -66.5 -26.7 43.3 17.1 -6.2 87 87 A A H 3<5S- 0 0 43 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.616 119.3-111.5 -79.2 -12.9 44.8 18.5 -3.0 88 88 A G T <<5 + 0 0 54 -3,-1.1 -23,-0.3 -4,-0.5 -3,-0.2 0.685 50.9 177.2 91.1 20.4 46.2 21.5 -4.9 89 89 A A < - 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