==== 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 17-JAN-03 1NPD . COMPND 2 MOLECULE: HYPOTHETICAL SHIKIMATE 5-DEHYDROGENASE-LIKE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.BENACH,A.P.KUZIN,I.LEE,B.ROST,Y.CHIANG,T.B.ACTON, . 575 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24514.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 434 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 3.5 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 57 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.4 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 1 0 2 3 0 2 2 2 4 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 2 6 2 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 PARALLEL BRIDGES PER LADDER . 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 3 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 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 13 0, 0.0 2,-0.5 0, 0.0 37,-0.0 0.000 360.0 360.0 360.0 143.0 -21.5 -56.9 8.6 2 2 A D - 0 0 97 29,-0.0 2,-0.2 288,-0.0 310,-0.1 -0.825 360.0-154.8-122.1 90.9 -22.8 -60.5 7.9 3 3 A V + 0 0 4 -2,-0.5 2,-0.2 308,-0.1 312,-0.2 -0.452 19.3 172.1 -71.6 131.8 -23.6 -60.9 4.3 4 4 A T > - 0 0 39 -2,-0.2 3,-1.6 325,-0.1 325,-0.4 -0.722 52.5 -85.6-127.4 178.0 -26.1 -63.6 3.4 5 5 A A T 3 S+ 0 0 3 303,-0.6 303,-0.1 1,-0.3 300,-0.1 0.511 121.5 66.2 -64.7 -4.4 -28.0 -64.7 0.2 6 6 A K T 3 S+ 0 0 124 302,-0.1 -1,-0.3 301,-0.1 2,-0.1 0.667 76.5 102.2 -93.5 -18.0 -30.6 -62.0 1.1 7 7 A Y < - 0 0 36 -3,-1.6 2,-0.3 30,-0.1 30,-0.3 -0.368 61.2-144.0 -69.9 142.5 -28.4 -59.0 0.6 8 8 A E E -a 37 0A 69 28,-2.3 30,-2.1 -2,-0.1 2,-0.3 -0.770 20.9-111.8-103.7 155.6 -28.7 -56.9 -2.5 9 9 A L E -a 38 0A 0 -2,-0.3 53,-3.0 51,-0.2 54,-0.9 -0.657 25.8-177.9 -94.3 142.3 -25.8 -55.2 -4.3 10 10 A I E -ab 39 63A 2 28,-2.3 30,-2.7 -2,-0.3 54,-0.3 -0.984 20.9-167.7-133.5 118.2 -25.0 -51.6 -4.6 11 11 A G E -ab 40 64A 0 52,-1.8 54,-3.1 -2,-0.4 2,-0.3 -0.331 23.0-142.6-102.9-175.7 -21.9 -50.8 -6.6 12 12 A L E -ab 41 65A 10 28,-0.7 30,-3.3 52,-0.3 2,-0.7 -0.934 18.3-159.2-144.8 115.8 -19.6 -48.0 -7.4 13 13 A X E +ab 42 66A 0 52,-2.8 54,-1.9 -2,-0.3 57,-0.3 -0.898 41.9 99.7-108.9 111.9 -18.2 -47.9 -11.0 14 14 A A E -a 43 0A 1 28,-1.8 30,-2.2 -2,-0.7 3,-0.1 -0.963 58.4 -99.4-170.2 177.0 -15.1 -45.9 -11.5 15 15 A Y S S+ 0 0 121 53,-2.6 2,-0.2 1,-0.4 28,-0.0 -0.796 99.6 27.6-170.0 124.6 -11.3 -46.1 -11.9 16 16 A P S S+ 0 0 100 0, 0.0 -1,-0.4 0, 0.0 28,-0.0 0.577 85.4 130.7 -64.7 162.1 -9.1 -45.7 -9.9 17 17 A I > + 0 0 9 -2,-0.2 3,-2.9 -3,-0.1 -2,-0.1 0.447 31.0 97.9-156.6 -24.1 -11.4 -46.7 -7.1 18 18 A R T 3 S+ 0 0 42 1,-0.3 23,-0.0 276,-0.1 277,-0.0 0.589 91.6 51.0 -54.5 -8.6 -9.8 -49.3 -4.8 19 19 A H T 3 S+ 0 0 157 274,-0.1 -1,-0.3 273,-0.1 275,-0.1 0.335 83.6 123.8-110.6 6.5 -8.8 -46.5 -2.5 20 20 A S < - 0 0 40 -3,-2.9 273,-0.6 1,-0.1 4,-0.3 -0.228 52.6-150.6 -66.9 154.8 -12.3 -44.8 -2.2 21 21 A L S > S+ 0 0 88 2,-0.1 4,-2.4 1,-0.1 5,-0.2 0.506 77.9 89.8-103.1 -9.7 -14.0 -44.2 1.1 22 22 A S H > S+ 0 0 21 1,-0.2 4,-3.3 2,-0.2 5,-0.4 0.922 83.8 55.9 -55.3 -45.6 -17.5 -44.5 -0.2 23 23 A P H > S+ 0 0 0 0, 0.0 4,-3.4 0, 0.0 5,-0.3 0.954 112.2 39.5 -51.4 -57.9 -17.7 -48.2 0.4 24 24 A E H > S+ 0 0 74 -4,-0.3 4,-2.7 1,-0.2 5,-0.3 0.928 117.2 50.6 -59.6 -44.6 -16.8 -48.1 4.1 25 25 A X H X S+ 0 0 2 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.937 116.3 40.2 -58.7 -49.9 -18.9 -45.0 4.6 26 26 A Q H X S+ 0 0 1 -4,-3.3 4,-2.5 -5,-0.2 -2,-0.2 0.884 116.9 49.6 -68.9 -39.8 -22.0 -46.5 2.9 27 27 A N H X S+ 0 0 7 -4,-3.4 4,-2.2 -5,-0.4 5,-0.2 0.826 109.2 52.3 -71.1 -28.1 -21.4 -50.0 4.5 28 28 A K H X S+ 0 0 54 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.933 112.8 45.9 -69.3 -43.3 -21.0 -48.4 8.0 29 29 A A H X S+ 0 0 0 -4,-2.0 4,-1.1 -5,-0.3 -2,-0.2 0.903 113.9 48.2 -64.6 -42.5 -24.3 -46.6 7.4 30 30 A L H ><>S+ 0 0 2 -4,-2.5 5,-2.5 2,-0.2 3,-0.7 0.942 113.0 45.6 -65.1 -49.3 -26.0 -49.7 6.1 31 31 A E H ><5S+ 0 0 90 -4,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.899 106.2 62.5 -61.6 -36.9 -24.9 -52.0 8.9 32 32 A K H 3<5S+ 0 0 112 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.832 111.7 37.2 -56.8 -32.9 -25.8 -49.2 11.3 33 33 A A T <<5S- 0 0 49 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.307 111.1-120.7-102.6 11.1 -29.4 -49.6 10.2 34 34 A G T < 5 + 0 0 55 -3,-1.8 -3,-0.2 -4,-0.2 -2,-0.1 0.859 53.4 168.3 55.7 34.7 -29.2 -53.4 9.8 35 35 A L < - 0 0 21 -5,-2.5 2,-2.6 -6,-0.1 -1,-0.2 -0.678 43.5-123.7 -87.5 133.1 -30.1 -53.0 6.1 36 36 A P S S+ 0 0 56 0, 0.0 -28,-2.3 0, 0.0 2,-0.3 -0.295 75.2 104.1 -70.7 58.1 -29.7 -56.1 3.7 37 37 A F E -a 8 0A 19 -2,-2.6 2,-0.4 -30,-0.3 -28,-0.2 -0.980 51.7-157.7-139.3 150.9 -27.4 -54.3 1.3 38 38 A T E -a 9 0A 0 -30,-2.1 -28,-2.3 -2,-0.3 2,-0.5 -0.988 10.1-149.2-132.8 127.1 -23.7 -54.3 0.5 39 39 A Y E +a 10 0A 1 -2,-0.4 2,-0.4 -16,-0.2 -28,-0.2 -0.805 24.3 175.2 -93.8 126.9 -21.9 -51.4 -1.2 40 40 A X E -a 11 0A 0 -30,-2.7 -28,-0.7 -2,-0.5 2,-0.3 -0.989 25.6-130.7-137.2 145.7 -18.9 -52.5 -3.3 41 41 A A E -a 12 0A 0 -2,-0.4 2,-0.4 251,-0.3 -28,-0.2 -0.717 19.2-164.5 -94.0 140.1 -16.5 -50.7 -5.6 42 42 A F E -a 13 0A 3 -30,-3.3 -28,-1.8 -2,-0.3 2,-1.1 -0.990 24.5-123.8-126.8 132.3 -15.8 -52.1 -9.1 43 43 A E E +a 14 0A 52 -2,-0.4 2,-0.4 304,-0.4 -28,-0.2 -0.626 51.7 154.7 -75.2 102.2 -12.9 -51.0 -11.2 44 44 A V - 0 0 1 -30,-2.2 2,-0.2 -2,-1.1 26,-0.2 -0.991 19.6-178.9-135.2 132.4 -14.7 -49.9 -14.4 45 45 A D > - 0 0 60 -2,-0.4 4,-2.1 -31,-0.1 3,-0.4 -0.538 53.0 -75.0-118.1-172.6 -13.7 -47.4 -17.1 46 46 A N T 4 S+ 0 0 75 1,-0.2 -1,-0.0 2,-0.2 24,-0.0 0.874 129.0 52.3 -51.6 -39.6 -15.4 -46.1 -20.2 47 47 A D T 4 S+ 0 0 143 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.880 116.4 36.1 -68.9 -36.6 -14.7 -49.4 -22.1 48 48 A S T > S+ 0 0 28 -3,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.660 94.6 89.0 -90.6 -11.8 -16.2 -51.7 -19.4 49 49 A F H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.881 84.7 52.2 -52.2 -46.8 -19.0 -49.3 -18.4 50 50 A P H > S+ 0 0 42 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.939 114.3 43.9 -57.5 -45.5 -21.5 -50.7 -21.1 51 51 A G H > S+ 0 0 4 -4,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.873 110.2 56.5 -65.8 -36.1 -20.9 -54.2 -19.9 52 52 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.909 104.7 51.2 -63.0 -41.6 -21.0 -53.1 -16.2 53 53 A I H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.894 106.6 55.3 -65.0 -35.1 -24.5 -51.7 -16.8 54 54 A E H X S+ 0 0 87 -4,-1.5 4,-2.8 -5,-0.2 -1,-0.2 0.895 109.2 47.6 -63.0 -38.3 -25.6 -55.0 -18.3 55 55 A G H X S+ 0 0 0 -4,-1.9 4,-3.5 2,-0.2 5,-0.4 0.951 105.8 58.0 -67.0 -44.4 -24.4 -56.7 -15.1 56 56 A L H <>S+ 0 0 0 -4,-2.7 5,-2.8 1,-0.2 4,-0.3 0.908 115.6 36.2 -50.2 -45.8 -26.3 -54.1 -13.0 57 57 A K H ><5S+ 0 0 80 -4,-2.1 3,-0.6 3,-0.2 -1,-0.2 0.939 119.1 47.8 -73.9 -48.4 -29.5 -55.1 -14.6 58 58 A A H 3<5S+ 0 0 12 -4,-2.8 -2,-0.2 1,-0.3 282,-0.2 0.848 116.4 42.6 -64.0 -37.0 -28.8 -58.8 -15.1 59 59 A L T 3<5S- 0 0 0 -4,-3.5 272,-0.3 -5,-0.2 -1,-0.3 0.522 109.7-126.2 -85.2 -6.8 -27.7 -59.3 -11.4 60 60 A K T < 5 - 0 0 81 -3,-0.6 -51,-0.2 -5,-0.4 -3,-0.2 0.937 37.5-174.0 61.9 47.8 -30.5 -57.1 -10.3 61 61 A X < - 0 0 3 -5,-2.8 -51,-0.2 -6,-0.3 -1,-0.1 -0.392 31.7-126.4 -66.5 156.0 -28.3 -54.8 -8.4 62 62 A R S S- 0 0 55 -53,-3.0 34,-2.4 1,-0.3 2,-0.3 0.752 70.8 -69.1 -74.5 -24.7 -30.2 -52.2 -6.4 63 63 A G E -bC 10 95A 0 -54,-0.9 -52,-1.8 32,-0.3 2,-0.3 -0.970 49.6-121.9 162.4-166.3 -28.2 -49.5 -8.1 64 64 A T E -bC 11 94A 0 30,-2.1 30,-2.2 -2,-0.3 -52,-0.3 -0.970 12.9-121.1-166.4 153.1 -24.7 -48.1 -8.1 65 65 A G E -bC 12 93A 1 -54,-3.1 -52,-2.8 -2,-0.3 2,-0.4 -0.671 28.3-149.7 -94.5 157.9 -22.7 -45.0 -7.6 66 66 A V E +b 13 0A 3 26,-2.2 2,-0.2 -2,-0.3 -52,-0.2 -0.998 21.9 161.2-133.6 132.9 -20.6 -43.6 -10.5 67 67 A S > + 0 0 49 -54,-1.9 3,-2.3 -2,-0.4 4,-0.1 -0.714 40.3 8.7-136.0-175.4 -17.4 -41.7 -10.4 68 68 A X T 3 S+ 0 0 121 1,-0.3 -53,-2.6 -2,-0.2 -1,-0.2 -0.107 121.0 5.7 -44.5 132.5 -14.5 -40.8 -12.7 69 69 A P T 3 S+ 0 0 58 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 -0.809 124.4 57.9-107.9 32.5 -14.4 -41.3 -15.6 70 70 A N S <> S+ 0 0 0 -3,-2.3 4,-2.8 -57,-0.3 -2,-0.2 0.427 72.0 101.1-100.5 1.6 -17.9 -42.6 -16.1 71 71 A K T 4 S+ 0 0 53 2,-0.2 20,-2.3 1,-0.2 4,-0.5 0.873 91.0 34.5 -55.9 -44.7 -20.0 -39.6 -14.8 72 72 A Q T >4 S+ 0 0 118 18,-0.2 3,-1.4 -3,-0.2 4,-0.4 0.952 118.2 50.2 -76.4 -49.9 -20.8 -38.2 -18.2 73 73 A L G >4 S+ 0 0 54 -4,-0.4 3,-2.1 1,-0.3 4,-0.4 0.860 98.2 70.3 -56.0 -37.3 -21.1 -41.5 -20.1 74 74 A A G >< S+ 0 0 0 -4,-2.8 3,-1.6 1,-0.3 -1,-0.3 0.802 86.0 67.2 -52.1 -33.5 -23.5 -42.9 -17.4 75 75 A C G X S+ 0 0 13 -3,-1.4 3,-0.8 -4,-0.5 -1,-0.3 0.809 95.5 56.4 -57.9 -30.1 -26.2 -40.4 -18.5 76 76 A E G < S+ 0 0 151 -3,-2.1 -1,-0.3 -4,-0.4 -2,-0.2 0.578 104.0 54.4 -80.4 -8.7 -26.5 -42.4 -21.8 77 77 A Y G < S+ 0 0 85 -3,-1.6 2,-0.3 -4,-0.4 -1,-0.2 0.222 90.9 84.3-110.1 13.7 -27.2 -45.7 -20.0 78 78 A V < - 0 0 22 -3,-0.8 24,-0.2 -4,-0.1 3,-0.1 -0.764 69.0-136.9-112.7 164.8 -30.1 -44.7 -17.8 79 79 A D S S+ 0 0 85 22,-2.4 2,-0.3 1,-0.3 23,-0.2 0.780 87.3 17.7 -86.5 -28.9 -33.8 -44.6 -18.7 80 80 A E E -d 102 0A 95 21,-1.6 23,-3.1 2,-0.0 2,-0.3 -0.996 63.1-162.9-148.6 140.1 -34.6 -41.3 -16.9 81 81 A L E -d 103 0A 47 -2,-0.3 23,-0.1 21,-0.2 10,-0.0 -0.855 24.5-114.5-121.4 154.4 -32.6 -38.4 -15.7 82 82 A T > - 0 0 34 21,-1.0 4,-2.4 -2,-0.3 5,-0.2 -0.584 34.0-107.8 -86.4 151.4 -33.5 -35.6 -13.2 83 83 A P H > S+ 0 0 95 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.878 122.6 48.6 -43.6 -47.7 -33.7 -31.9 -14.4 84 84 A A H > S+ 0 0 7 1,-0.2 4,-3.5 2,-0.2 5,-0.4 0.960 107.6 53.8 -60.1 -51.2 -30.4 -31.2 -12.6 85 85 A A H >>S+ 0 0 0 1,-0.3 4,-3.2 2,-0.2 5,-0.7 0.892 108.6 50.6 -51.3 -41.5 -28.7 -34.2 -14.1 86 86 A K H <5S+ 0 0 140 -4,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.894 113.6 44.7 -65.5 -37.7 -29.7 -33.0 -17.6 87 87 A L H <5S+ 0 0 13 -4,-1.9 -2,-0.2 -3,-0.3 -1,-0.2 0.933 117.7 43.3 -69.7 -47.8 -28.3 -29.5 -16.8 88 88 A V H <5S- 0 0 11 -4,-3.5 -2,-0.2 -5,-0.1 -3,-0.2 0.889 97.5-143.3 -64.0 -40.6 -25.1 -30.9 -15.3 89 89 A G T <5 + 0 0 31 -4,-3.2 2,-0.3 -5,-0.4 -14,-0.2 0.673 69.1 72.5 83.4 16.1 -24.7 -33.5 -18.0 90 90 A A < - 0 0 10 -5,-0.7 2,-0.3 -16,-0.1 -18,-0.2 -0.990 60.2-153.8-157.5 155.7 -23.4 -36.1 -15.6 91 91 A I - 0 0 0 -20,-2.3 14,-0.2 -2,-0.3 -17,-0.2 -0.948 15.5-173.1-134.0 154.6 -24.6 -38.4 -12.9 92 92 A N S S+ 0 0 7 12,-1.7 -26,-2.2 -2,-0.3 2,-0.4 0.296 75.2 58.9-123.9 2.5 -23.0 -40.0 -9.9 93 93 A T E -CE 65 104A 0 11,-1.7 11,-2.1 -28,-0.3 2,-0.4 -0.997 53.1-177.3-139.2 137.9 -26.0 -42.1 -8.9 94 94 A I E -CE 64 103A 0 -30,-2.2 -30,-2.1 -2,-0.4 2,-0.4 -1.000 7.2-165.2-133.5 134.7 -28.0 -44.8 -10.6 95 95 A V E -CE 63 102A 4 7,-2.0 7,-2.8 -2,-0.4 2,-0.7 -0.976 10.6-148.9-119.7 131.9 -31.1 -46.5 -9.0 96 96 A N E - E 0 101A 11 -34,-2.4 2,-0.7 -2,-0.4 5,-0.2 -0.912 12.0-173.6-107.1 113.7 -32.4 -49.6 -10.6 97 97 A D E > S- E 0 100A 45 3,-3.1 3,-2.0 -2,-0.7 -35,-0.1 -0.881 73.4 -47.8-109.0 95.0 -36.2 -50.0 -10.1 98 98 A D T 3 S- 0 0 150 -2,-0.7 -1,-0.1 1,-0.3 3,-0.1 0.802 124.8 -32.6 47.2 39.8 -37.2 -53.4 -11.4 99 99 A G T 3 S+ 0 0 32 1,-0.3 2,-0.5 -42,-0.0 -1,-0.3 0.248 117.0 105.2 107.4 -15.8 -35.1 -52.9 -14.6 100 100 A Y E < - 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