==== 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 ISOMERASE 13-SEP-96 1NSJ . COMPND 2 MOLECULE: PHOSPHORIBOSYL ANTHRANILATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR M.HENNIG,J.N.J.JANSONIUS . 205 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10154.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 20.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.0 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 . 1 0.5 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 . 15 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 27.8 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 2 0 2 1 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 4 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 . 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 0 159 0, 0.0 202,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 144.9 -3.9 17.6 51.8 2 2 A V - 0 0 9 200,-0.3 2,-0.3 1,-0.1 174,-0.2 -0.357 360.0-128.0 -78.5 150.4 -1.7 19.9 53.9 3 3 A R E -a 176 0A 119 172,-2.2 174,-1.9 -2,-0.1 2,-0.4 -0.713 21.8-148.5 -92.7 152.9 0.1 23.1 52.6 4 4 A V E -a 177 0A 1 -2,-0.3 20,-2.2 18,-0.2 21,-1.1 -0.984 11.3-169.7-129.8 125.6 3.8 23.4 53.3 5 5 A K E -ab 178 25A 14 172,-2.2 174,-1.7 -2,-0.4 2,-0.6 -0.940 9.7-155.7-112.0 132.4 5.8 26.6 53.8 6 6 A I E -ab 179 26A 0 19,-2.0 21,-2.3 -2,-0.4 3,-0.3 -0.958 22.7-163.6-106.8 114.9 9.6 26.5 53.9 7 7 A C + 0 0 9 172,-3.1 21,-0.1 -2,-0.6 18,-0.0 -0.533 57.5 42.8 -98.2 167.7 10.8 29.6 55.9 8 8 A G + 0 0 0 1,-0.2 2,-0.4 -2,-0.2 20,-0.2 0.815 66.8 171.1 71.1 31.2 14.1 31.3 56.2 9 9 A I + 0 0 0 18,-2.5 20,-0.3 -3,-0.3 -1,-0.2 -0.599 9.8 166.5 -74.8 128.0 15.0 31.1 52.5 10 10 A T + 0 0 45 178,-0.6 2,-0.3 -2,-0.4 -1,-0.1 0.427 56.7 44.7-121.3 -3.9 18.1 33.2 51.8 11 11 A N S > S- 0 0 41 177,-0.1 4,-1.8 1,-0.1 3,-0.4 -0.997 73.5-120.9-147.6 150.4 19.0 32.0 48.3 12 12 A L H > S+ 0 0 58 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.876 107.8 53.6 -52.8 -48.5 17.5 31.3 44.9 13 13 A E H > S+ 0 0 126 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.861 109.1 48.5 -60.7 -37.9 18.6 27.7 44.6 14 14 A D H > S+ 0 0 0 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.905 113.2 49.7 -67.4 -39.5 17.0 26.7 47.9 15 15 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.952 112.4 45.0 -63.9 -49.4 13.8 28.5 46.9 16 16 A L H X S+ 0 0 46 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.878 111.9 51.9 -63.9 -38.5 13.6 26.8 43.5 17 17 A F H X S+ 0 0 63 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.929 109.2 52.1 -63.7 -40.5 14.3 23.4 44.9 18 18 A S H X>S+ 0 0 0 -4,-2.1 5,-2.9 2,-0.2 4,-0.6 0.927 111.2 46.3 -58.5 -49.2 11.5 24.0 47.5 19 19 A V H ><5S+ 0 0 21 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.946 113.7 47.7 -60.0 -49.7 9.0 24.9 44.7 20 20 A E H 3<5S+ 0 0 158 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.745 109.2 54.4 -66.0 -25.9 10.0 21.9 42.5 21 21 A S H 3<5S- 0 0 35 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.558 130.3 -91.7 -84.2 -7.9 9.7 19.5 45.5 22 22 A G T <<5 + 0 0 25 -3,-1.3 -18,-0.2 -4,-0.6 -3,-0.2 0.535 68.6 155.0 115.1 5.9 6.2 20.7 46.2 23 23 A A < - 0 0 5 -5,-2.9 -1,-0.3 -6,-0.2 -18,-0.2 -0.428 29.5-157.2 -67.6 141.6 6.4 23.6 48.7 24 24 A D S S+ 0 0 48 -20,-2.2 31,-2.2 1,-0.2 2,-0.3 0.507 72.7 18.2 -95.5 -11.2 3.4 25.9 48.5 25 25 A A E -bc 5 55A 12 -21,-1.1 -19,-2.0 29,-0.2 2,-0.4 -0.978 60.3-150.9-157.1 149.7 5.1 29.0 50.1 26 26 A V E -bc 6 56A 0 29,-2.7 31,-2.6 -2,-0.3 2,-0.4 -0.954 18.0-144.2-122.6 146.3 8.5 30.3 50.8 27 27 A G E - c 0 57A 0 -21,-2.3 -18,-2.5 -2,-0.4 2,-0.4 -0.943 8.0-162.7-117.4 137.6 9.3 32.6 53.6 28 28 A F E - c 0 58A 0 29,-2.4 31,-3.0 -2,-0.4 2,-0.7 -0.970 18.5-138.9-114.8 125.4 11.8 35.6 53.8 29 29 A V E +dc 37 59A 15 7,-0.6 9,-1.8 -2,-0.4 31,-0.1 -0.773 20.5 179.5 -89.8 116.8 12.8 36.8 57.3 30 30 A F + 0 0 8 29,-2.6 31,-0.1 -2,-0.7 -1,-0.1 0.117 44.5 116.6-104.6 23.1 13.0 40.6 57.4 31 31 A Y > - 0 0 76 1,-0.1 3,-2.2 28,-0.1 5,-0.1 -0.828 59.8-147.9 -93.8 111.1 13.9 40.7 61.1 32 32 A P T 3 S+ 0 0 82 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.754 93.3 56.4 -48.7 -35.9 17.5 42.3 61.2 33 33 A K T 3 S+ 0 0 175 3,-0.1 2,-0.3 -3,-0.0 -3,-0.0 0.393 85.7 103.5 -82.8 2.8 18.6 40.3 64.3 34 34 A S X - 0 0 32 -3,-2.2 3,-1.4 1,-0.1 -5,-0.0 -0.664 69.7-141.3 -86.7 144.2 17.8 37.0 62.7 35 35 A K T 3 S+ 0 0 153 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.659 107.5 56.1 -72.2 -17.4 20.7 34.8 61.4 36 36 A R T 3 S+ 0 0 42 -5,-0.1 -7,-0.6 2,-0.0 -1,-0.3 0.086 81.9 141.7 -99.0 19.4 18.3 34.0 58.5 37 37 A Y B < -d 29 0A 92 -3,-1.4 2,-0.4 -5,-0.1 -7,-0.2 -0.367 28.2-174.5 -65.3 139.9 17.9 37.7 57.6 38 38 A I - 0 0 7 -9,-1.8 -2,-0.0 -2,-0.1 -27,-0.0 -1.000 26.1-117.6-136.7 129.9 17.6 38.7 53.9 39 39 A S > - 0 0 19 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.297 26.1-115.4 -64.5 152.3 17.5 42.3 52.6 40 40 A P H > S+ 0 0 22 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.841 118.1 54.2 -56.7 -32.0 14.4 43.4 50.7 41 41 A E H > S+ 0 0 94 2,-0.2 4,-1.5 1,-0.2 -2,-0.0 0.930 109.8 43.7 -69.4 -44.3 16.6 43.9 47.7 42 42 A D H > S+ 0 0 78 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.850 115.5 50.3 -67.5 -35.7 18.0 40.3 47.8 43 43 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 3,-0.3 0.891 103.8 57.7 -69.5 -41.5 14.5 39.0 48.5 44 44 A R H X S+ 0 0 89 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.905 102.5 55.7 -55.3 -42.0 13.0 40.9 45.5 45 45 A R H X S+ 0 0 169 -4,-1.5 4,-0.8 1,-0.2 -1,-0.2 0.863 112.9 41.7 -56.2 -43.6 15.5 39.2 43.1 46 46 A I H X S+ 0 0 10 -4,-1.0 4,-1.1 -3,-0.3 3,-0.5 0.918 112.5 52.5 -72.4 -46.0 14.3 35.8 44.3 47 47 A S H >< S+ 0 0 1 -4,-2.8 3,-0.6 1,-0.2 -2,-0.2 0.901 107.2 52.3 -57.2 -46.9 10.6 36.6 44.4 48 48 A V H 3< S+ 0 0 76 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.815 109.5 50.7 -61.6 -28.1 10.6 37.9 40.8 49 49 A E H 3< S+ 0 0 119 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.658 91.5 95.0 -83.7 -24.1 12.3 34.7 39.6 50 50 A L S << S- 0 0 9 -4,-1.1 4,-0.1 -3,-0.6 -34,-0.0 -0.378 79.3-108.2 -71.6 151.8 9.8 32.3 41.3 51 51 A P - 0 0 46 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 -0.171 36.9 -95.2 -75.5 167.7 6.8 30.9 39.4 52 52 A P S S+ 0 0 88 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.297 103.9 50.3 -73.4 174.3 3.2 31.9 40.1 53 53 A F S S+ 0 0 200 1,-0.2 2,-0.4 -2,-0.0 0, 0.0 0.707 87.6 101.5 68.6 21.4 1.0 29.8 42.5 54 54 A V S S- 0 0 12 -3,-0.5 -29,-0.2 -4,-0.1 -1,-0.2 -0.981 71.7-128.2-136.3 118.0 3.7 29.9 45.2 55 55 A F E -c 25 0A 88 -31,-2.2 -29,-2.7 -2,-0.4 2,-0.6 -0.439 10.1-153.8 -70.5 138.1 3.2 32.3 48.1 56 56 A R E -c 26 0A 27 -31,-0.2 22,-3.1 -2,-0.1 23,-1.4 -0.980 19.7-170.0-109.5 116.3 6.0 34.7 49.1 57 57 A V E -ce 27 79A 3 -31,-2.6 -29,-2.4 -2,-0.6 2,-0.5 -0.903 11.5-148.4-112.3 138.2 5.6 35.5 52.7 58 58 A G E -ce 28 80A 0 21,-2.0 23,-3.1 -2,-0.4 2,-0.6 -0.932 9.5-145.0-106.5 130.6 7.5 38.1 54.6 59 59 A V E +ce 29 81A 8 -31,-3.0 -29,-2.6 -2,-0.5 2,-0.3 -0.861 22.0 177.5 -99.1 119.1 8.4 37.7 58.3 60 60 A F E - e 0 82A 3 21,-2.4 23,-3.0 -2,-0.6 2,-0.5 -0.901 17.7-158.3-119.6 146.4 8.3 40.8 60.5 61 61 A V S S- 0 0 29 -2,-0.3 21,-0.1 21,-0.2 -2,-0.0 -0.946 78.0 -34.6-127.7 102.6 8.9 41.2 64.2 62 62 A N S S+ 0 0 81 -2,-0.5 2,-0.2 1,-0.2 -1,-0.1 0.852 89.1 162.8 54.0 40.0 7.4 44.4 65.7 63 63 A E - 0 0 37 1,-0.1 -1,-0.2 2,-0.1 21,-0.1 -0.619 47.2-100.5 -86.3 148.8 8.2 46.4 62.6 64 64 A E >> - 0 0 105 -2,-0.2 4,-1.4 1,-0.1 3,-1.0 -0.542 33.9-116.9 -72.3 138.7 6.4 49.6 62.1 65 65 A P H 3> S+ 0 0 42 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.756 109.0 54.1 -41.7 -45.3 3.4 49.4 59.7 66 66 A E H 3> S+ 0 0 130 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.897 109.0 48.8 -64.5 -40.5 4.6 51.7 57.0 67 67 A K H <> S+ 0 0 91 -3,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.838 108.6 54.2 -65.7 -36.7 7.9 49.8 56.6 68 68 A I H X S+ 0 0 0 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.941 110.1 47.1 -62.1 -47.6 6.1 46.5 56.4 69 69 A L H X S+ 0 0 40 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.845 111.0 51.4 -65.9 -33.8 3.9 47.7 53.5 70 70 A D H X S+ 0 0 89 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.918 111.3 45.9 -70.5 -41.9 6.8 49.2 51.6 71 71 A V H X S+ 0 0 13 -4,-2.1 4,-3.1 1,-0.2 5,-0.3 0.917 111.5 55.1 -66.5 -38.3 8.8 46.0 51.8 72 72 A A H X>S+ 0 0 6 -4,-2.3 5,-2.2 1,-0.2 4,-0.8 0.883 112.1 40.2 -62.1 -44.8 5.7 44.0 50.7 73 73 A S H <5S+ 0 0 86 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.901 118.2 49.3 -73.8 -35.4 5.0 46.0 47.6 74 74 A Y H <5S+ 0 0 107 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.939 120.2 33.7 -66.7 -50.9 8.8 46.2 46.7 75 75 A V H <5S- 0 0 1 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.594 108.8-125.1 -80.4 -11.3 9.5 42.5 47.1 76 76 A Q T <5 - 0 0 103 -4,-0.8 -3,-0.2 -5,-0.3 -4,-0.1 0.963 39.9-174.4 61.8 55.1 6.0 41.6 45.9 77 77 A L < - 0 0 13 -5,-2.2 -20,-0.2 -6,-0.1 -1,-0.1 -0.432 25.4-153.8 -76.7 154.4 5.0 39.5 48.9 78 78 A N S S+ 0 0 60 -22,-3.1 21,-0.6 1,-0.3 2,-0.3 0.594 77.7 10.7-102.7 -18.8 1.7 37.7 48.9 79 79 A A E -ef 57 99A 0 -23,-1.4 -21,-2.0 19,-0.1 2,-0.4 -0.987 63.9-135.4-157.9 156.5 1.3 37.7 52.7 80 80 A V E -ef 58 100A 0 19,-2.7 21,-2.8 -2,-0.3 2,-0.6 -0.941 12.4-154.2-117.8 131.6 2.9 39.2 55.8 81 81 A Q E -ef 59 101A 2 -23,-3.1 -21,-2.4 -2,-0.4 2,-0.9 -0.964 8.3-154.9-108.1 110.3 3.6 37.0 58.9 82 82 A L E +ef 60 102A 0 19,-2.7 21,-2.5 -2,-0.6 -21,-0.2 -0.808 20.7 170.5 -90.3 103.8 3.6 39.2 62.0 83 83 A H + 0 0 49 -23,-3.0 -22,-0.2 -2,-0.9 -1,-0.1 0.030 50.7 69.3-103.7 21.3 5.8 37.2 64.4 84 84 A G S S- 0 0 10 -24,-0.2 -23,-0.1 -21,-0.1 -2,-0.0 0.113 107.0 -72.5-108.3-133.9 6.2 39.8 67.3 85 85 A E + 0 0 134 19,-0.1 -2,-0.1 -2,-0.1 -24,-0.1 -0.243 67.0 166.5-122.0 39.9 3.7 41.0 69.8 86 86 A E - 0 0 1 1,-0.1 2,-0.1 2,-0.1 -4,-0.0 -0.359 34.5-124.5 -60.0 129.1 1.8 43.1 67.3 87 87 A P >> - 0 0 62 0, 0.0 4,-2.0 0, 0.0 3,-1.1 -0.432 25.0-106.6 -74.4 154.3 -1.6 44.3 68.6 88 88 A I H 3> S+ 0 0 38 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.748 119.3 62.4 -52.0 -28.4 -4.8 43.5 66.6 89 89 A E H 3> S+ 0 0 125 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.920 106.1 42.9 -63.5 -45.8 -5.0 47.1 65.6 90 90 A L H <> S+ 0 0 31 -3,-1.1 4,-2.4 2,-0.2 5,-0.2 0.927 115.5 51.2 -64.7 -43.2 -1.7 46.9 63.8 91 91 A C H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.882 110.0 48.9 -60.1 -43.7 -2.8 43.6 62.3 92 92 A R H X S+ 0 0 117 -4,-2.8 4,-0.5 2,-0.2 -1,-0.2 0.805 109.9 51.6 -67.7 -32.2 -6.1 45.0 61.1 93 93 A K H >< S+ 0 0 90 -4,-1.7 3,-1.1 2,-0.2 4,-0.4 0.943 112.3 44.9 -71.4 -46.2 -4.3 48.0 59.5 94 94 A I H >X S+ 0 0 0 -4,-2.4 3,-2.3 1,-0.2 4,-1.8 0.944 107.0 61.4 -61.3 -43.3 -1.9 45.8 57.6 95 95 A A H 3< S+ 0 0 40 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.639 88.3 71.6 -59.6 -16.9 -4.8 43.5 56.6 96 96 A E T << S+ 0 0 129 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.769 114.6 23.2 -69.1 -27.7 -6.5 46.3 54.7 97 97 A R T <4 S+ 0 0 194 -3,-2.3 2,-0.3 -4,-0.4 -2,-0.2 0.717 131.2 12.7-109.0 -31.4 -3.8 46.0 52.1 98 98 A I S < S- 0 0 25 -4,-1.8 -1,-0.3 -18,-0.0 -19,-0.1 -0.986 85.3 -87.2-148.8 150.8 -2.3 42.5 52.2 99 99 A L E -f 79 0A 83 -21,-0.6 -19,-2.7 -2,-0.3 2,-0.4 -0.367 44.1-154.1 -61.5 133.3 -3.1 39.2 53.8 100 100 A V E -f 80 0A 3 -21,-0.2 2,-0.5 -2,-0.1 -19,-0.2 -0.924 13.7-164.8-118.0 136.1 -1.7 38.8 57.4 101 101 A I E -f 81 0A 21 -21,-2.8 -19,-2.7 -2,-0.4 2,-0.6 -0.980 17.4-147.2-112.1 123.8 -0.8 35.6 59.3 102 102 A K E -fg 82 123A 0 20,-2.2 22,-2.7 -2,-0.5 2,-0.4 -0.885 8.9-152.4 -97.2 121.9 -0.4 36.2 63.0 103 103 A A E - 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