==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 23-DEC-02 1NI9 . COMPND 2 MOLECULE: PROTEIN GLPX; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.SANISHVILI,J.BRUNZELLE,A.SAVCHENKO,A.M.EDWARDS, . 291 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12973.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 21.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 2 0.7 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 . 20 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 0 2 0 1 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 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 PARALLEL BRIDGES PER LADDER . 1 1 2 0 1 1 3 0 0 1 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 1 0 1 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 -1 A G 0 0 118 0, 0.0 78,-0.1 0, 0.0 79,-0.0 0.000 360.0 360.0 360.0-158.6 45.3 0.4 50.2 2 0 A H - 0 0 104 1,-0.1 2,-0.3 76,-0.1 76,-0.1 0.786 360.0-136.8-136.5 156.0 44.7 3.3 49.9 3 1 A M - 0 0 0 244,-0.2 -1,-0.1 76,-0.1 100,-0.1 -0.593 41.4-122.9 -71.3 136.0 43.4 5.9 47.3 4 2 A R > - 0 0 99 -2,-0.3 3,-1.0 1,-0.1 4,-0.1 -0.393 7.9-124.9 -69.3 155.2 45.4 9.1 47.5 5 3 A R G > S+ 0 0 161 1,-0.2 3,-1.5 2,-0.1 -1,-0.1 0.758 102.4 71.8 -68.1 -30.8 44.0 12.5 48.2 6 4 A E G 3 S+ 0 0 125 1,-0.3 3,-0.4 2,-0.1 4,-0.4 0.573 79.3 78.7 -67.9 -13.3 45.4 14.1 45.1 7 5 A L G <> + 0 0 12 -3,-1.0 4,-1.6 1,-0.2 -1,-0.3 0.563 68.4 92.6 -74.3 -3.2 42.9 12.1 42.9 8 6 A A H <> S+ 0 0 8 -3,-1.5 4,-2.2 1,-0.2 3,-0.3 0.889 82.4 45.4 -58.4 -57.7 40.1 14.6 43.7 9 7 A I H > S+ 0 0 85 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.812 108.8 59.9 -58.9 -32.4 40.4 17.0 40.9 10 8 A E H > S+ 0 0 55 -4,-0.4 4,-0.8 2,-0.2 -1,-0.2 0.855 106.4 46.0 -64.4 -39.7 40.7 14.1 38.5 11 9 A F H X S+ 0 0 1 -4,-1.6 4,-1.6 -3,-0.3 3,-0.5 0.879 106.5 59.2 -68.1 -37.4 37.3 12.8 39.6 12 10 A S H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.901 100.9 55.3 -61.2 -36.7 35.9 16.3 39.3 13 11 A R H X S+ 0 0 85 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.841 103.6 58.1 -60.8 -30.6 36.8 16.3 35.6 14 12 A V H X S+ 0 0 1 -4,-0.8 4,-2.1 -3,-0.5 -1,-0.2 0.910 109.8 39.4 -67.8 -48.6 34.9 13.0 35.2 15 13 A T H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.880 112.9 56.7 -71.9 -30.8 31.6 14.4 36.4 16 14 A E H X S+ 0 0 10 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.929 109.7 46.3 -60.3 -45.6 32.2 17.7 34.5 17 15 A S H X S+ 0 0 28 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.926 111.2 50.7 -63.0 -46.5 32.6 15.8 31.3 18 16 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.944 113.1 47.7 -54.4 -47.5 29.4 13.6 32.0 19 17 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.919 113.0 46.4 -61.8 -45.8 27.4 16.8 32.6 20 18 A L H < S+ 0 0 37 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.826 113.7 49.1 -69.2 -38.3 28.7 18.6 29.5 21 19 A A H < S+ 0 0 33 -4,-2.5 4,-0.4 -5,-0.2 -1,-0.2 0.813 119.1 38.8 -61.0 -41.3 28.1 15.6 27.3 22 20 A G H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 5,-0.2 0.774 94.0 80.7 -81.3 -31.2 24.6 15.1 28.7 23 21 A Y H X S+ 0 0 48 -4,-2.2 4,-1.9 1,-0.2 -1,-0.1 0.790 93.6 44.4 -61.5 -39.5 23.2 18.7 29.0 24 22 A K H > S+ 0 0 105 -4,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.911 115.2 48.4 -67.5 -44.5 22.1 19.5 25.4 25 23 A W H 4>S+ 0 0 92 -4,-0.4 5,-1.9 1,-0.2 -2,-0.2 0.898 114.4 46.4 -63.8 -36.3 20.5 16.1 24.9 26 24 A L H ><5S+ 0 0 18 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.825 109.3 55.4 -73.7 -32.2 18.7 16.5 28.2 27 25 A G H 3<5S+ 0 0 67 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.802 105.7 51.5 -66.0 -31.3 17.8 20.1 27.1 28 26 A R T 3<5S- 0 0 149 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.376 118.3-114.7 -82.6 7.0 16.2 18.6 23.9 29 27 A G T < 5S+ 0 0 61 -3,-1.0 2,-1.8 1,-0.2 -3,-0.2 0.515 74.7 136.8 67.5 4.1 14.2 16.2 26.1 30 28 A D >< + 0 0 70 -5,-1.9 4,-2.4 -6,-0.2 -1,-0.2 -0.585 24.7 171.3 -79.2 77.1 16.1 13.2 24.6 31 29 A K H > S+ 0 0 60 -2,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.883 71.2 49.3 -61.3 -42.5 16.6 11.4 27.9 32 30 A N H > S+ 0 0 146 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.912 112.4 49.8 -63.5 -37.8 18.0 8.1 26.6 33 31 A T H > S+ 0 0 63 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.937 108.6 52.7 -63.2 -42.1 20.5 10.0 24.4 34 32 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.880 109.9 48.6 -61.1 -41.2 21.6 12.1 27.4 35 33 A D H X S+ 0 0 47 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.952 111.5 47.2 -68.9 -50.2 22.2 9.1 29.5 36 34 A G H X S+ 0 0 42 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.890 115.5 47.9 -52.7 -44.1 24.3 7.3 26.8 37 35 A A H X S+ 0 0 25 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.947 113.1 46.1 -69.2 -42.4 26.2 10.5 26.3 38 36 A A H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.885 114.0 49.5 -64.9 -44.4 26.9 11.1 29.9 39 37 A V H X S+ 0 0 10 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.866 110.1 49.4 -60.2 -47.8 27.9 7.5 30.5 40 38 A N H X S+ 0 0 55 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.940 112.5 47.6 -61.6 -46.8 30.3 7.4 27.5 41 39 A A H X S+ 0 0 14 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.896 109.9 52.8 -62.5 -41.8 32.0 10.6 28.6 42 40 A M H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.929 110.3 48.5 -58.7 -44.6 32.2 9.3 32.2 43 41 A R H X S+ 0 0 73 -4,-2.3 4,-2.0 2,-0.2 30,-0.3 0.944 111.3 49.4 -59.9 -45.2 33.9 6.1 31.0 44 42 A I H < S+ 0 0 66 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.907 114.4 44.1 -64.4 -41.2 36.4 7.9 28.8 45 43 A M H >< S+ 0 0 41 -4,-2.2 3,-0.8 1,-0.2 4,-0.3 0.811 108.5 55.9 -77.1 -34.8 37.5 10.3 31.5 46 44 A L H >< S+ 0 0 0 -4,-2.2 3,-1.6 -5,-0.2 28,-0.3 0.912 103.8 58.1 -60.3 -37.7 37.7 7.6 34.1 47 45 A N T 3< S+ 0 0 44 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.653 96.3 61.1 -69.0 -14.0 40.2 5.9 31.8 48 46 A Q T < S+ 0 0 111 -3,-0.8 2,-0.3 -4,-0.4 -1,-0.3 0.529 90.8 90.6 -84.0 -8.3 42.5 8.9 31.8 49 47 A V S < S- 0 0 0 -3,-1.6 25,-2.4 -4,-0.3 2,-1.9 -0.719 83.6-123.4 -93.8 138.2 43.0 8.5 35.5 50 48 A N S S+ 0 0 67 -2,-0.3 28,-0.4 23,-0.2 2,-0.3 -0.541 71.3 110.2 -81.5 76.4 45.7 6.4 37.0 51 49 A I - 0 0 0 -2,-1.9 24,-1.9 -5,-0.2 2,-0.8 -0.954 68.8-130.3-135.2 158.6 43.6 4.1 39.1 52 50 A D E -a 79 0A 55 26,-3.1 28,-2.0 -2,-0.3 2,-0.3 -0.824 47.8-177.0-105.7 87.3 42.7 0.4 38.9 53 51 A G E -aB 80 72A 0 19,-2.4 19,-2.5 -2,-0.8 2,-0.4 -0.665 23.0-165.4 -98.5 147.7 39.0 0.9 39.2 54 52 A T E -aB 81 71A 19 26,-1.9 28,-2.4 -2,-0.3 2,-0.7 -0.990 22.5-130.7-128.0 129.4 36.1 -1.4 39.4 55 53 A I E +a 82 0A 0 15,-2.5 14,-3.8 -2,-0.4 15,-0.3 -0.700 35.4 163.1 -75.3 117.3 32.5 -0.4 38.9 56 54 A V E + 0 0 34 26,-2.7 2,-0.4 -2,-0.7 27,-0.2 0.625 69.3 29.4-110.4 -22.2 30.6 -1.9 41.9 57 55 A I E S+a 83 0A 24 25,-1.8 27,-2.4 10,-0.1 -1,-0.3 -0.988 91.3 87.0-136.6 129.3 27.5 0.2 41.7 58 56 A G S S- 0 0 33 -2,-0.4 9,-0.2 25,-0.2 3,-0.1 -0.497 80.5 -6.7-170.7-125.2 26.3 1.6 38.4 59 57 A E S S- 0 0 79 7,-2.3 8,-0.2 1,-0.3 2,-0.1 0.381 96.6 -95.7 -96.8 -3.8 24.2 1.0 35.3 60 58 A G 0 0 27 6,-0.3 8,-1.1 1,-0.1 -1,-0.3 -0.341 360.0 360.0 116.2 169.0 23.4 -2.7 36.0 61 59 A E 0 0 100 6,-0.2 -1,-0.1 -2,-0.1 -3,-0.1 -0.312 360.0 360.0 149.0 360.0 24.5 -6.3 35.2 62 ! 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 63 63 A A 0 0 56 0, 0.0 4,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 136.5 24.2 -2.2 31.0 64 64 A P + 0 0 132 0, 0.0 2,-0.3 0, 0.0 3,-0.2 0.656 360.0 39.7 -84.2 -9.7 26.5 -2.3 28.0 65 65 A M S S+ 0 0 58 1,-0.2 -6,-0.1 -6,-0.1 3,-0.1 -0.997 120.7 8.9-149.3 138.0 28.6 0.4 29.7 66 66 A L S S+ 0 0 0 -2,-0.3 -7,-2.3 1,-0.2 -6,-0.3 0.953 88.1 166.6 47.7 56.8 29.7 1.1 33.3 67 67 A Y > - 0 0 97 -8,-0.2 3,-2.5 -9,-0.2 -12,-0.3 -0.612 47.4 -74.8 -91.8 160.0 28.3 -2.2 34.1 68 68 A I T 3 S+ 0 0 82 -8,-1.1 -12,-0.2 1,-0.3 -1,-0.1 -0.269 121.2 17.0 -55.7 122.1 29.0 -4.0 37.4 69 69 A G T 3 S+ 0 0 39 -14,-3.8 -1,-0.3 1,-0.3 -13,-0.1 0.299 87.8 147.4 94.9 -3.2 32.6 -5.4 37.4 70 70 A E < - 0 0 23 -3,-2.5 -15,-2.5 -15,-0.3 2,-0.5 -0.348 44.5-130.6 -65.8 141.2 33.7 -3.2 34.6 71 71 A K E +B 54 0A 113 -17,-0.2 2,-0.3 -3,-0.1 -17,-0.2 -0.784 31.5 173.0 -92.1 135.7 37.4 -2.1 34.8 72 72 A V E +B 53 0A 2 -19,-2.5 -19,-2.4 -2,-0.5 3,-0.2 -0.910 32.5 54.5-141.1 161.5 38.1 1.5 34.3 73 73 A G S S- 0 0 15 -2,-0.3 -26,-0.2 -30,-0.3 -23,-0.2 -0.204 98.9 -70.2 100.5 165.9 41.2 3.6 34.7 74 74 A T - 0 0 48 -25,-2.4 -1,-0.2 -28,-0.3 -22,-0.2 0.582 68.7-121.0 -67.0 -9.5 44.7 3.2 33.0 75 75 A G S S+ 0 0 42 -24,-1.9 -23,-0.2 -26,-0.4 -1,-0.1 0.359 80.5 110.5 82.6 -7.8 44.8 0.2 35.4 76 76 A R + 0 0 155 -25,-0.3 -1,-0.3 -27,-0.2 -2,-0.1 -0.317 61.9 23.0 -85.8 173.5 47.9 1.7 37.0 77 77 A G S S+ 0 0 47 -26,-0.2 -26,-0.2 -3,-0.1 -74,-0.1 0.004 104.3 3.8 66.1-162.6 48.0 3.1 40.6 78 78 A D - 0 0 29 -28,-0.4 -26,-3.1 -76,-0.1 2,-0.5 -0.058 66.7-118.4 -59.8 145.3 45.6 2.2 43.5 79 79 A A E +a 52 0A 49 -28,-0.2 25,-0.7 -78,-0.1 2,-0.3 -0.705 45.5 171.4 -81.3 126.0 42.8 -0.3 43.4 80 80 A V E -aC 53 103A 0 -28,-2.0 -26,-1.9 -2,-0.5 2,-0.4 -0.930 30.8-129.4-136.6 157.4 39.5 1.4 44.0 81 81 A D E -aC 54 102A 10 21,-2.3 21,-2.2 -2,-0.3 2,-0.4 -0.875 27.0-155.1-105.5 148.0 35.8 0.8 43.9 82 82 A I E -aC 55 101A 0 -28,-2.4 -26,-2.7 -2,-0.4 -25,-1.8 -0.947 16.5-167.3-134.4 134.0 33.4 3.0 42.0 83 83 A A E -aC 57 100A 4 17,-3.0 17,-2.5 -2,-0.4 2,-0.4 -0.986 19.3-169.1-118.4 132.8 29.8 4.0 42.1 84 84 A V E + C 0 99A 8 -27,-2.4 15,-0.2 -2,-0.4 3,-0.1 -0.924 26.7 168.5-126.9 146.3 28.3 5.9 39.2 85 85 A D E - C 0 98A 52 13,-2.3 13,-2.1 -2,-0.4 3,-0.4 -0.601 12.2-175.8-149.9 80.8 25.2 7.8 38.5 86 86 A P E S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -64,-0.1 0.786 80.1 20.5 -59.3 -34.9 25.9 9.6 35.3 87 87 A I E S+ 0 0 27 10,-0.1 2,-0.4 -3,-0.1 10,-0.2 -0.834 75.4 173.4-137.9 101.1 22.5 11.4 35.3 88 88 A E E + C 0 96A 8 8,-3.1 8,-2.4 -3,-0.4 2,-0.1 -0.851 30.6 81.4 -97.6 133.7 20.7 11.6 38.7 89 89 A G 0 0 40 -2,-0.4 6,-0.1 6,-0.2 91,-0.1 -0.354 360.0 360.0 143.8 155.3 17.5 13.5 39.2 90 90 A T 0 0 87 89,-0.6 4,-0.1 4,-0.2 3,-0.1 -0.068 360.0 360.0-118.3 360.0 13.7 13.6 38.9 91 ! 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 92 97 A Q 0 0 75 0, 0.0 3,-0.4 0, 0.0 164,-0.1 0.000 360.0 360.0 360.0 167.2 14.5 17.7 33.7 93 98 A A + 0 0 54 1,-0.2 165,-0.2 -3,-0.1 164,-0.1 -0.271 360.0 39.6 -78.7 172.0 15.6 20.1 36.5 94 99 A N S S+ 0 0 23 163,-2.5 2,-0.4 1,-0.2 87,-0.4 0.839 79.7 157.0 53.6 30.7 17.7 19.0 39.5 95 100 A A + 0 0 4 -3,-0.4 160,-2.6 162,-0.2 161,-1.1 -0.771 13.2 172.3 -87.9 135.2 19.8 16.9 37.2 96 101 A L E -CD 88 254A 5 -8,-2.4 -8,-3.1 -2,-0.4 2,-0.5 -0.986 32.0-132.8-138.4 151.4 23.4 16.0 38.4 97 102 A A E - 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