==== 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 ISOMERASE 04-APR-02 1LBM . COMPND 2 MOLECULE: PHOSPHORIBOSYL ANTHRANILATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR M.HENNIG,R.STERNER,K.KIRSCHNER . 194 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9688.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 20.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.1 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 1 0.5 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 . 13 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 0 0 0 1 1 0 4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 5 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 . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 M 0 0 149 0, 0.0 2,-0.1 0, 0.0 192,-0.1 0.000 360.0 360.0 360.0 142.2 -4.0 18.0 52.2 2 2 A V - 0 0 11 190,-0.3 2,-0.2 1,-0.1 164,-0.2 -0.412 360.0-128.9 -73.7 142.3 -1.8 20.1 54.4 3 3 A R E -a 166 0A 116 162,-2.5 164,-1.6 -2,-0.1 2,-0.4 -0.625 18.8-147.0 -88.3 150.4 0.1 23.1 53.1 4 4 A V E -a 167 0A 1 18,-0.3 20,-2.0 -2,-0.2 21,-1.4 -0.973 11.3-170.6-126.9 125.9 3.9 23.6 53.8 5 5 A K E -ab 168 25A 13 162,-2.1 164,-1.3 -2,-0.4 2,-0.6 -0.922 9.5-155.9-113.4 134.7 5.8 26.8 54.3 6 6 A I E -ab 169 26A 0 19,-1.7 21,-2.1 -2,-0.4 3,-0.3 -0.965 22.3-161.3-108.9 116.8 9.6 26.8 54.4 7 7 A C + 0 0 8 162,-2.8 21,-0.1 -2,-0.6 18,-0.0 -0.547 57.2 37.0-102.8 169.0 10.8 29.8 56.4 8 8 A G + 0 0 0 1,-0.2 2,-0.4 -2,-0.2 20,-0.2 0.925 67.6 173.3 62.8 43.9 14.1 31.7 56.6 9 9 A I + 0 0 0 18,-2.7 20,-0.2 -3,-0.3 -1,-0.2 -0.726 10.2 170.7 -79.7 133.3 15.1 31.4 53.0 10 10 A T + 0 0 46 168,-0.5 2,-0.3 -2,-0.4 -1,-0.1 0.412 56.3 41.8-125.0 -0.2 18.2 33.4 52.2 11 11 A N S > S- 0 0 44 1,-0.1 4,-1.7 167,-0.1 3,-0.4 -0.999 72.4-121.2-149.9 154.2 19.1 32.4 48.7 12 12 A L H > S+ 0 0 52 -2,-0.3 4,-2.5 1,-0.2 3,-0.4 0.933 106.8 57.1 -56.2 -54.4 17.6 31.6 45.4 13 13 A E H > S+ 0 0 130 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.849 108.2 48.6 -51.6 -37.3 18.8 28.1 45.0 14 14 A D H > S+ 0 0 1 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.901 111.7 49.8 -71.0 -37.3 17.1 27.0 48.3 15 15 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 -3,-0.4 -2,-0.2 0.952 111.3 46.7 -64.6 -49.7 13.9 28.7 47.4 16 16 A L H X S+ 0 0 51 -4,-2.5 4,-2.5 1,-0.3 5,-0.2 0.915 110.5 53.0 -60.9 -44.6 13.6 27.1 43.9 17 17 A F H X S+ 0 0 64 -4,-1.9 4,-1.2 -5,-0.3 -1,-0.3 0.900 107.8 53.2 -56.7 -40.3 14.5 23.7 45.3 18 18 A S H >X>S+ 0 0 0 -4,-1.8 5,-2.0 2,-0.2 3,-0.6 0.940 109.1 47.7 -60.3 -49.0 11.7 24.2 47.8 19 19 A V H ><5S+ 0 0 23 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.927 110.1 50.9 -56.9 -51.0 9.1 25.0 45.1 20 20 A E H 3<5S+ 0 0 157 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.702 107.9 55.3 -61.4 -24.7 10.0 22.0 42.9 21 21 A S H <<5S- 0 0 34 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.513 128.5 -90.1 -87.3 -9.2 9.7 19.7 45.9 22 22 A G T <<5 + 0 0 25 -3,-1.5 -18,-0.3 -4,-0.5 -3,-0.2 0.511 68.5 154.6 118.5 0.8 6.1 20.8 46.8 23 23 A A < - 0 0 7 -5,-2.0 -1,-0.3 -6,-0.2 -18,-0.2 -0.415 28.8-160.0 -64.4 136.4 6.4 23.8 49.1 24 24 A D S S+ 0 0 47 -20,-2.0 31,-2.1 1,-0.2 2,-0.3 0.584 71.7 19.6 -93.5 -16.9 3.3 26.1 49.0 25 25 A A E -bc 5 55A 13 -21,-1.4 -19,-1.7 29,-0.2 2,-0.3 -0.993 59.5-154.6-151.5 157.1 5.0 29.1 50.5 26 26 A V E -bc 6 56A 0 29,-2.7 31,-2.5 -2,-0.3 2,-0.3 -0.966 17.7-149.9-133.4 143.5 8.4 30.5 51.1 27 27 A G E - c 0 57A 0 -21,-2.1 -18,-2.7 -2,-0.3 2,-0.4 -0.916 10.3-159.8-124.3 151.2 9.4 33.0 53.8 28 28 A F E - c 0 58A 0 29,-2.3 31,-2.8 -2,-0.3 2,-0.8 -0.987 18.9-137.3-125.3 131.3 11.9 35.8 54.5 29 29 A V E -dc 37 59A 20 7,-0.6 9,-1.6 -2,-0.4 31,-0.1 -0.779 18.9-179.4 -93.6 110.2 12.8 37.0 58.0 30 30 A F + 0 0 9 29,-2.3 31,-0.2 -2,-0.8 -1,-0.1 0.007 45.6 117.6 -96.2 27.7 13.0 40.8 58.0 31 31 A Y > - 0 0 76 1,-0.1 3,-2.5 29,-0.1 6,-0.1 -0.860 60.6-147.4 -98.1 111.3 14.0 40.9 61.7 32 32 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.728 93.7 56.1 -53.7 -29.9 17.5 42.5 61.9 33 33 A K T 3 S+ 0 0 173 -3,-0.1 2,-0.2 3,-0.1 -3,-0.0 0.401 85.1 102.7 -87.0 4.8 18.5 40.4 64.8 34 34 A S X - 0 0 29 -3,-2.5 3,-1.2 1,-0.1 -5,-0.0 -0.610 68.9-140.9 -86.0 148.2 17.9 37.0 63.2 35 35 A K T 3 S+ 0 0 157 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.788 108.2 57.0 -73.4 -24.9 20.7 34.9 61.9 36 36 A R T 3 S+ 0 0 43 -5,-0.1 -7,-0.6 2,-0.0 -1,-0.3 0.222 82.6 141.5 -88.6 16.4 18.3 34.1 59.0 37 37 A Y B < -d 29 0A 94 -3,-1.2 2,-0.3 -5,-0.1 -7,-0.2 -0.246 27.3-176.9 -60.8 142.8 17.9 37.8 58.2 38 38 A I - 0 0 9 -9,-1.6 -2,-0.0 -27,-0.0 -27,-0.0 -1.000 25.1-117.0-140.3 139.5 17.7 39.0 54.6 39 39 A S > - 0 0 20 -2,-0.3 4,-2.4 1,-0.1 5,-0.3 -0.472 25.2-116.7 -76.9 147.8 17.5 42.5 53.2 40 40 A P H > S+ 0 0 24 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.880 115.9 53.1 -46.1 -43.2 14.5 43.7 51.2 41 41 A E H > S+ 0 0 92 1,-0.2 4,-1.7 2,-0.2 -3,-0.0 0.970 110.8 44.1 -62.4 -51.9 16.7 44.2 48.1 42 42 A D H > S+ 0 0 77 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.825 115.1 51.1 -60.2 -30.6 18.1 40.6 48.3 43 43 A A H X S+ 0 0 0 -4,-2.4 4,-3.4 2,-0.2 -1,-0.2 0.882 102.8 58.9 -72.8 -40.8 14.6 39.3 48.9 44 44 A R H X S+ 0 0 95 -4,-2.8 4,-2.7 -5,-0.3 5,-0.2 0.926 102.8 53.2 -53.5 -47.4 13.2 41.2 46.0 45 45 A R H X S+ 0 0 168 -4,-1.7 4,-0.9 1,-0.2 -1,-0.2 0.893 114.3 41.6 -56.1 -43.1 15.6 39.4 43.6 46 46 A I H >X S+ 0 0 10 -4,-1.2 3,-0.9 2,-0.2 4,-0.5 0.969 113.9 51.5 -71.4 -51.5 14.4 36.1 45.0 47 47 A S H >< S+ 0 0 0 -4,-3.4 3,-1.9 1,-0.3 -2,-0.2 0.932 108.7 51.8 -46.4 -55.6 10.7 37.0 45.1 48 48 A V H 3< S+ 0 0 68 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.762 106.8 52.3 -57.5 -31.2 10.7 38.2 41.5 49 49 A E H << S+ 0 0 124 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.451 88.3 101.6 -88.5 0.2 12.3 35.0 40.1 50 50 A L S << S- 0 0 11 -3,-1.9 4,-0.1 -4,-0.5 6,-0.0 -0.548 76.9-109.8 -87.5 153.0 9.8 32.6 41.7 51 51 A P - 0 0 47 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 -0.197 39.2 -99.8 -68.1 169.0 6.9 31.1 39.8 52 52 A P S S+ 0 0 87 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.173 101.8 54.8 -75.6-176.7 3.3 32.2 40.5 53 53 A F S S+ 0 0 202 1,-0.1 2,-0.4 -2,-0.0 0, 0.0 0.729 86.7 100.6 61.7 24.4 1.1 30.0 42.8 54 54 A V S S- 0 0 13 -3,-0.3 -29,-0.2 -4,-0.1 2,-0.1 -0.968 73.0-127.3-140.0 120.3 3.7 30.1 45.6 55 55 A F E -c 25 0A 90 -31,-2.1 -29,-2.7 -2,-0.4 2,-0.6 -0.448 11.3-151.1 -72.7 142.1 3.2 32.5 48.5 56 56 A R E -c 26 0A 28 -31,-0.2 22,-3.2 -2,-0.1 23,-1.4 -0.967 20.1-172.5-113.0 114.5 5.9 34.9 49.5 57 57 A V E -ce 27 79A 3 -31,-2.5 -29,-2.3 -2,-0.6 2,-0.5 -0.886 12.2-154.1-112.9 142.8 5.7 35.7 53.2 58 58 A G E -ce 28 80A 0 21,-1.3 23,-2.1 -2,-0.4 2,-0.5 -0.959 9.3-145.5-120.1 121.3 7.7 38.3 55.2 59 59 A V E +ce 29 81A 8 -31,-2.8 -29,-2.3 -2,-0.5 2,-0.4 -0.718 20.4 179.6 -87.7 122.7 8.3 38.0 58.9 60 60 A F E - e 0 82A 3 21,-2.2 23,-2.1 -2,-0.5 2,-0.6 -0.954 16.8-153.3-121.5 141.6 8.4 41.2 60.9 61 61 A V S S- 0 0 34 -2,-0.4 21,-0.1 -31,-0.2 -2,-0.0 -0.942 75.4 -36.0-117.5 111.1 8.9 41.6 64.7 62 62 A N S S+ 0 0 82 -2,-0.6 2,-0.2 1,-0.1 -1,-0.1 0.886 89.7 159.5 42.7 51.1 7.4 44.7 66.2 63 63 A E - 0 0 46 1,-0.1 -1,-0.1 2,-0.0 21,-0.1 -0.658 48.0 -97.6 -96.2 160.1 8.1 46.8 63.2 64 64 A E >> - 0 0 105 -2,-0.2 4,-1.6 1,-0.1 3,-0.9 -0.601 34.1-114.2 -81.9 142.2 6.1 50.0 62.5 65 65 A P H 3> S+ 0 0 43 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.753 111.5 54.0 -49.1 -38.6 3.2 49.6 60.1 66 66 A E H 3> S+ 0 0 128 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.934 107.7 49.4 -65.8 -44.5 4.6 51.9 57.4 67 67 A K H <> S+ 0 0 97 -3,-0.9 4,-2.4 1,-0.2 5,-0.3 0.900 109.6 53.4 -61.0 -38.3 7.9 49.9 57.1 68 68 A I H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.953 110.2 47.8 -59.7 -48.6 5.8 46.7 56.9 69 69 A L H X S+ 0 0 36 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.827 112.2 48.1 -65.0 -33.2 3.8 48.1 54.0 70 70 A D H X S+ 0 0 93 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.931 110.6 48.2 -75.1 -45.1 6.8 49.4 52.1 71 71 A V H X S+ 0 0 12 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.925 111.4 55.9 -60.2 -37.0 8.9 46.2 52.3 72 72 A A H <>S+ 0 0 9 -4,-2.0 5,-2.9 -5,-0.3 4,-0.4 0.839 111.0 38.8 -65.1 -41.2 5.7 44.4 51.2 73 73 A S H <5S+ 0 0 91 -4,-1.5 -1,-0.2 3,-0.2 -2,-0.2 0.850 117.6 51.4 -79.4 -34.3 5.1 46.3 48.0 74 74 A Y H <5S+ 0 0 102 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.930 119.4 33.5 -64.1 -51.6 8.8 46.5 47.2 75 75 A V T <5S- 0 0 0 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.557 110.3-123.9 -81.0 -10.3 9.5 42.7 47.6 76 76 A Q T 5 - 0 0 104 -4,-0.4 -3,-0.2 -5,-0.3 -4,-0.1 0.987 39.8-171.7 62.1 61.8 6.0 42.0 46.3 77 77 A L < - 0 0 15 -5,-2.9 -20,-0.2 1,-0.1 -1,-0.1 -0.443 26.1-157.0 -82.7 159.1 4.8 39.9 49.3 78 78 A N S S+ 0 0 64 -22,-3.2 21,-0.5 1,-0.3 2,-0.3 0.586 77.5 9.0-107.4 -17.2 1.6 38.0 49.3 79 79 A A E -ef 57 99A 0 -23,-1.4 -21,-1.3 19,-0.1 2,-0.4 -0.974 63.1-135.6-157.4 163.1 1.3 37.9 53.1 80 80 A V E -ef 58 100A 0 19,-2.2 21,-2.6 -2,-0.3 2,-0.7 -0.993 11.3-151.7-128.7 128.5 2.8 39.4 56.3 81 81 A Q E -ef 59 101A 4 -23,-2.1 -21,-2.2 -2,-0.4 2,-1.1 -0.892 7.9-154.9-104.8 111.2 3.6 37.3 59.4 82 82 A L E +ef 60 102A 0 19,-2.4 21,-2.1 -2,-0.7 -21,-0.2 -0.718 21.3 169.7 -90.8 96.1 3.4 39.4 62.5 83 83 A H + 0 0 53 -23,-2.1 -22,-0.2 -2,-1.1 -1,-0.1 0.136 49.6 67.0 -97.7 15.4 5.7 37.6 64.9 84 84 A G S S- 0 0 10 -24,-0.3 -23,-0.1 -21,-0.1 -2,-0.0 0.135 106.4 -68.0-106.9-137.0 6.1 40.1 67.8 85 85 A E + 0 0 133 19,-0.1 -2,-0.1 -2,-0.0 -24,-0.1 -0.332 68.7 165.4-115.7 48.8 3.6 41.4 70.4 86 86 A E - 0 0 1 -4,-0.1 2,-0.1 1,-0.1 -4,-0.0 -0.457 33.0-128.0 -72.3 129.3 1.5 43.4 67.9 87 87 A P >> - 0 0 63 0, 0.0 4,-2.0 0, 0.0 3,-0.7 -0.487 27.1-106.1 -74.0 151.8 -1.9 44.6 69.1 88 88 A I H 3> S+ 0 0 41 1,-0.2 4,-3.2 2,-0.2 5,-0.1 0.702 117.4 62.2 -50.3 -25.7 -5.0 43.8 67.0 89 89 A E H 3> S+ 0 0 124 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.961 105.9 43.0 -65.4 -53.1 -5.2 47.5 65.9 90 90 A L H <> S+ 0 0 30 -3,-0.7 4,-2.9 1,-0.2 5,-0.2 0.947 116.9 49.8 -56.1 -47.5 -1.8 47.3 64.2 91 91 A C H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.906 111.1 48.5 -54.5 -48.0 -2.9 43.9 62.9 92 92 A R H < S+ 0 0 120 -4,-3.2 4,-0.4 2,-0.2 -1,-0.2 0.794 111.8 49.3 -66.8 -30.7 -6.2 45.4 61.7 93 93 A K H >X S+ 0 0 97 -4,-2.5 3,-1.5 2,-0.2 4,-0.5 0.950 111.8 47.2 -74.2 -47.9 -4.5 48.3 60.0 94 94 A I H >X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.3 3,-1.7 0.929 107.0 60.4 -54.8 -45.1 -2.0 46.1 58.2 95 95 A A H 3< S+ 0 0 39 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.585 87.5 71.9 -64.0 -13.1 -4.8 43.8 57.1 96 96 A E H <4 S+ 0 0 137 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.828 113.0 26.7 -71.3 -29.8 -6.7 46.5 55.2 97 97 A R H << S+ 0 0 197 -3,-1.7 2,-0.3 -4,-0.5 -2,-0.2 0.726 132.0 6.9-101.4 -32.0 -4.0 46.4 52.5 98 98 A I S < S- 0 0 32 -4,-1.7 -1,-0.3 -18,-0.0 2,-0.3 -0.966 83.0 -84.7-150.2 163.7 -2.6 42.9 52.7 99 99 A L E -f 79 0A 84 -21,-0.5 -19,-2.2 -2,-0.3 2,-0.4 -0.521 42.2-159.9 -75.3 134.5 -3.2 39.5 54.3 100 100 A V E -f 80 0A 4 -2,-0.3 2,-0.4 -21,-0.2 -19,-0.2 -0.905 12.6-161.1-118.2 147.7 -1.7 39.0 57.8 101 101 A I E -f 81 0A 22 -21,-2.6 -19,-2.4 -2,-0.4 2,-0.5 -0.995 19.0-142.6-120.0 125.6 -0.8 35.9 59.8 102 102 A K E -fg 82 123A 0 20,-2.3 22,-2.6 -2,-0.4 2,-0.3 -0.825 9.0-150.2 -96.5 126.8 -0.4 36.4 63.5 103 103 A A E - 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