==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 25-MAR-11 3R9R . COMPND 2 MOLECULE: PHOSPHORIBOSYLAMINOIMIDAZOLE-SUCCINOCARBOXAMIDE S . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM ABSCESSUS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 295 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13684.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 18.6 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 19 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 24.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 0 0 0 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 0 130 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 18.3 38.1 5.6 15.7 2 0 A S - 0 0 67 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.325 360.0 -84.0 -62.5 145.4 37.9 9.4 15.5 3 1 A M - 0 0 101 1,-0.1 -1,-0.1 77,-0.0 0, 0.0 -0.292 51.2-118.5 -56.9 129.3 40.3 11.0 18.0 4 2 A R - 0 0 67 -3,-0.1 76,-0.1 1,-0.1 -1,-0.1 -0.465 26.2-120.3 -72.4 139.4 38.7 11.2 21.4 5 3 A P - 0 0 31 0, 0.0 78,-0.5 0, 0.0 2,-0.3 -0.298 26.1-106.9 -73.0 163.3 38.1 14.7 22.8 6 4 A S > - 0 0 67 76,-0.1 3,-1.7 1,-0.1 4,-0.3 -0.637 21.5-123.7 -84.3 150.6 39.5 15.8 26.1 7 5 A L G > S+ 0 0 16 1,-0.3 3,-1.6 -2,-0.3 -1,-0.1 0.835 112.5 66.5 -62.6 -31.1 37.2 16.2 29.0 8 6 A S G 3 S+ 0 0 104 1,-0.3 -1,-0.3 3,-0.1 4,-0.1 0.671 87.5 68.7 -62.4 -19.4 38.4 19.8 29.2 9 7 A D G < S+ 0 0 110 -3,-1.7 -1,-0.3 2,-0.1 2,-0.3 0.668 94.3 69.4 -71.8 -18.0 36.7 20.4 25.8 10 8 A Y S < S- 0 0 33 -3,-1.6 2,-0.6 -4,-0.3 14,-0.2 -0.688 89.3-111.5-100.2 156.2 33.3 20.0 27.5 11 9 A Q E -A 23 0A 124 12,-1.4 12,-3.2 -2,-0.3 2,-0.3 -0.757 24.1-130.6 -91.2 123.8 31.6 22.3 30.0 12 10 A H E +A 22 0A 100 -2,-0.6 10,-0.2 10,-0.2 3,-0.1 -0.589 33.9 169.9 -71.8 130.3 31.2 21.0 33.4 13 11 A V E + 0 0 72 8,-2.4 2,-0.3 1,-0.4 9,-0.2 0.667 55.3 5.7-123.1 -31.0 27.6 21.6 34.4 14 12 A A E -A 21 0A 47 7,-1.6 7,-2.5 2,-0.0 2,-0.4 -0.990 51.2-156.8-157.8 158.1 27.0 19.8 37.6 15 13 A S E +A 20 0A 78 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.997 14.0 179.6-138.6 125.7 28.7 17.8 40.3 16 14 A G - 0 0 43 3,-3.0 5,-0.0 -2,-0.4 -2,-0.0 -0.337 49.3 -79.3-107.9-164.9 27.2 15.3 42.7 17 15 A K S S- 0 0 61 1,-0.2 20,-0.1 -2,-0.1 19,-0.0 0.930 123.5 -3.4 -67.2 -48.0 28.6 13.1 45.5 18 16 A V S S+ 0 0 14 18,-0.1 16,-2.6 17,-0.0 2,-0.3 0.285 126.1 69.2-127.0 7.0 30.1 10.4 43.2 19 17 A R E - B 0 33A 67 14,-0.2 -3,-3.0 16,-0.1 2,-0.3 -0.851 53.9-161.6-128.8 161.8 29.0 11.7 39.7 20 18 A E E -AB 15 32A 40 12,-2.2 12,-2.8 -2,-0.3 2,-0.4 -0.967 6.7-153.0-139.3 150.0 29.7 14.5 37.3 21 19 A L E -AB 14 31A 43 -7,-2.5 -8,-2.4 -2,-0.3 -7,-1.6 -0.993 10.6-170.8-128.7 132.9 27.7 15.8 34.4 22 20 A Y E -AB 12 30A 23 8,-2.3 8,-2.7 -2,-0.4 2,-0.5 -0.966 24.4-123.9-122.8 143.3 29.2 17.7 31.3 23 21 A R E +AB 11 29A 71 -12,-3.2 -12,-1.4 -2,-0.4 6,-0.2 -0.730 27.1 175.3 -79.6 128.3 27.5 19.5 28.5 24 22 A V - 0 0 24 4,-2.5 2,-0.2 1,-0.5 5,-0.2 0.826 67.1 -36.4 -97.9 -51.0 28.6 18.0 25.2 25 23 A D S S- 0 0 64 3,-1.7 -1,-0.5 -14,-0.0 3,-0.4 -0.828 81.7 -66.2-152.3-165.9 26.3 20.1 23.0 26 24 A D S S+ 0 0 109 -2,-0.2 3,-0.0 1,-0.2 -3,-0.0 0.758 132.8 28.7 -59.7 -31.3 22.9 21.6 23.2 27 25 A E S S+ 0 0 120 66,-0.1 67,-2.9 1,-0.0 2,-0.3 0.428 114.9 65.1-112.3 -1.5 21.1 18.3 23.1 28 26 A H E - C 0 93A 43 -3,-0.4 -4,-2.5 65,-0.3 -3,-1.7 -0.947 50.2-172.2-135.2 147.5 23.7 16.0 24.7 29 27 A L E -BC 23 92A 17 63,-2.4 63,-2.8 -2,-0.3 2,-0.5 -0.866 23.1-130.3-127.8 158.5 25.4 15.4 28.0 30 28 A L E -BC 22 91A 0 -8,-2.7 -8,-2.3 -2,-0.3 2,-0.6 -0.983 21.1-156.3-113.1 118.5 28.3 13.2 29.3 31 29 A F E -BC 21 90A 29 59,-2.8 59,-2.2 -2,-0.5 2,-0.5 -0.889 14.8-166.7-101.9 110.8 27.2 11.3 32.4 32 30 A V E -BC 20 89A 0 -12,-2.8 -12,-2.2 -2,-0.6 2,-0.4 -0.889 12.9-156.9-113.3 125.8 30.4 10.4 34.4 33 31 A A E -B 19 0A 7 55,-3.2 -14,-0.2 -2,-0.5 2,-0.2 -0.841 15.6-155.5 -93.5 134.5 30.7 7.9 37.3 34 32 A T - 0 0 10 -16,-2.6 -16,-0.0 -2,-0.4 51,-0.0 -0.521 27.8-113.8 -98.9 174.3 33.7 8.4 39.7 35 33 A D S S+ 0 0 46 -2,-0.2 13,-2.8 16,-0.2 16,-0.2 0.370 75.9 124.0 -87.9 3.7 35.4 5.8 41.9 36 34 A R - 0 0 74 11,-0.2 2,-0.4 -18,-0.2 -2,-0.1 -0.315 44.7-160.5 -63.9 147.2 34.2 7.7 45.0 37 35 A I - 0 0 0 7,-0.3 7,-2.5 9,-0.2 2,-0.4 -0.986 4.1-148.1-132.3 143.1 32.1 5.7 47.5 38 36 A S E +E 43 0B 40 -2,-0.4 2,-0.3 5,-0.3 5,-0.2 -0.878 16.6 173.4-113.8 140.9 29.8 7.0 50.3 39 37 A A E > S-E 42 0B 5 3,-2.4 3,-1.5 -2,-0.4 -2,-0.0 -0.985 70.7 -0.4-144.5 140.8 29.1 5.4 53.7 40 38 A F T 3 S- 0 0 87 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.866 130.8 -58.0 46.5 40.0 27.1 6.7 56.6 41 39 A D T 3 S+ 0 0 163 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.786 115.1 113.1 61.5 31.5 26.4 9.9 54.6 42 40 A F E < -E 39 0B 71 -3,-1.5 -3,-2.4 220,-0.0 2,-0.7 -0.998 68.8-131.5-124.2 133.9 30.1 10.7 54.1 43 41 A V E -E 38 0B 65 -2,-0.4 -5,-0.3 -5,-0.2 2,-0.0 -0.791 40.8-127.6 -76.8 117.9 31.9 10.6 50.9 44 42 A L - 0 0 9 -7,-2.5 -7,-0.3 -2,-0.7 -1,-0.0 -0.329 3.3-126.3 -72.5 150.8 35.0 8.6 52.0 45 43 A D S S+ 0 0 114 218,-0.3 -1,-0.1 219,-0.1 -2,-0.0 0.780 92.0 73.7 -60.0 -31.4 38.6 9.7 51.4 46 44 A T S S- 0 0 18 218,-0.2 -9,-0.2 -9,-0.1 -2,-0.1 -0.795 74.5-144.4 -97.0 119.5 39.5 6.4 49.7 47 45 A P - 0 0 74 0, 0.0 -11,-0.2 0, 0.0 -2,-0.0 -0.439 16.4-124.9 -74.9 152.7 38.2 5.7 46.1 48 46 A I > - 0 0 0 -13,-2.8 3,-2.2 -2,-0.1 4,-0.3 -0.891 35.4-114.6 -96.9 113.5 37.2 2.1 45.2 49 47 A P T 3 S- 0 0 57 0, 0.0 -13,-0.0 0, 0.0 -1,-0.0 -0.243 92.3 -0.7 -58.7 130.4 39.3 1.2 42.1 50 48 A D T 3> S+ 0 0 41 1,-0.1 4,-2.7 3,-0.0 5,-0.2 0.381 89.7 127.7 74.3 1.1 37.1 0.7 39.0 51 49 A K H <> S+ 0 0 1 -3,-2.2 4,-3.0 1,-0.2 5,-0.3 0.897 73.1 50.7 -51.3 -46.4 33.8 1.3 40.8 52 50 A G H > S+ 0 0 1 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.913 112.8 45.8 -58.3 -44.0 32.8 3.9 38.3 53 51 A R H > S+ 0 0 35 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.903 113.8 48.6 -66.7 -42.1 33.5 1.5 35.4 54 52 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.927 112.8 46.8 -68.1 -42.9 31.7 -1.3 37.1 55 53 A L H X S+ 0 0 4 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.853 111.3 52.0 -70.4 -32.2 28.6 0.8 38.0 56 54 A T H X S+ 0 0 10 -4,-2.1 4,-2.6 -5,-0.3 5,-0.2 0.946 108.7 50.5 -62.5 -47.8 28.5 2.1 34.5 57 55 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 30,-0.3 -2,-0.2 0.896 110.3 51.6 -56.1 -40.6 28.6 -1.4 33.1 58 56 A M H X S+ 0 0 3 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.924 109.6 47.8 -63.5 -47.0 25.7 -2.3 35.5 59 57 A S H X S+ 0 0 3 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.903 111.7 50.3 -59.3 -45.0 23.5 0.6 34.3 60 58 A V H X S+ 0 0 31 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.909 109.3 52.1 -61.7 -42.1 24.2 -0.3 30.7 61 59 A F H X S+ 0 0 37 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.941 112.4 44.6 -57.6 -51.0 23.3 -3.9 31.3 62 60 A F H X S+ 0 0 1 -4,-2.4 4,-2.5 155,-0.3 -2,-0.2 0.871 108.2 56.1 -66.6 -37.9 19.9 -2.9 33.0 63 61 A F H < S+ 0 0 7 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.881 110.8 47.1 -57.5 -39.1 19.0 -0.3 30.3 64 62 A G H < S+ 0 0 67 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.894 111.5 50.6 -67.2 -42.7 19.4 -3.2 27.8 65 63 A L H < S+ 0 0 40 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.889 102.1 71.8 -61.5 -42.3 17.3 -5.6 29.9 66 64 A L S < S- 0 0 10 -4,-2.5 115,-0.0 -5,-0.1 0, 0.0 -0.420 70.4-147.4 -80.3 150.5 14.4 -3.1 30.3 67 65 A T + 0 0 107 -2,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.651 64.3 105.0 -91.6 -15.4 12.1 -2.2 27.5 68 66 A V S S- 0 0 17 1,-0.1 144,-0.1 109,-0.1 -2,-0.1 -0.307 82.1 -97.2 -69.6 146.3 11.4 1.4 28.5 69 67 A P - 0 0 76 0, 0.0 144,-2.4 0, 0.0 2,-0.3 -0.349 47.3-168.4 -58.1 144.8 13.0 4.3 26.5 70 68 A N B -f 213 0C 32 142,-0.2 144,-0.2 2,-0.2 133,-0.0 -0.841 33.6-106.5-136.0 169.7 16.2 5.6 28.2 71 69 A H + 0 0 7 142,-2.0 22,-2.8 -2,-0.3 143,-0.1 0.481 69.8 126.9 -80.8 -2.8 18.5 8.6 27.9 72 70 A L B -D 92 0A 45 20,-0.2 20,-0.3 1,-0.1 -2,-0.2 -0.343 32.0-179.7 -58.6 129.5 21.4 6.7 26.2 73 71 A A + 0 0 34 18,-3.0 19,-0.2 1,-0.2 -1,-0.1 0.410 62.4 2.0-112.4 -2.5 22.5 8.6 23.0 74 72 A G S S- 0 0 22 17,-0.8 -1,-0.2 4,-0.1 17,-0.2 -0.958 86.9 -71.7-168.5 176.3 25.4 6.3 21.9 75 73 A P > - 0 0 66 0, 0.0 3,-2.0 0, 0.0 16,-0.3 -0.190 51.6 -99.3 -75.7 169.8 27.3 3.1 22.7 76 74 A P T 3 S+ 0 0 36 0, 0.0 11,-0.6 0, 0.0 13,-0.2 0.684 125.8 46.9 -67.2 -16.3 29.7 2.8 25.6 77 75 A D T 3 S+ 0 0 86 9,-0.1 4,-0.1 10,-0.1 13,-0.1 0.246 78.9 153.0-104.3 12.8 32.6 3.4 23.2 78 76 A D X - 0 0 15 -3,-2.0 3,-2.3 1,-0.2 -4,-0.1 -0.092 53.5-124.2 -42.4 132.0 31.1 6.4 21.4 79 77 A P T 3 S+ 0 0 57 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.659 107.4 70.4 -58.2 -19.2 33.9 8.6 20.0 80 78 A R T 3 S+ 0 0 74 -76,-0.1 -2,-0.1 2,-0.1 -77,-0.0 0.572 79.5 95.3 -72.2 -10.2 32.5 11.6 21.9 81 79 A I S < S- 0 0 0 -3,-2.3 5,-0.1 -4,-0.1 -74,-0.1 -0.712 81.5-123.1 -85.5 121.6 33.7 9.9 25.1 82 80 A P > - 0 0 1 0, 0.0 3,-1.1 0, 0.0 4,-0.3 -0.298 15.4-122.3 -62.3 150.0 37.1 11.1 26.3 83 81 A E G > S+ 0 0 92 -78,-0.5 3,-1.6 1,-0.3 -77,-0.1 0.883 108.5 64.6 -57.1 -40.8 39.8 8.5 26.8 84 82 A E G 3 S+ 0 0 121 1,-0.3 -1,-0.3 212,-0.1 -78,-0.1 0.768 112.2 31.7 -55.7 -35.0 40.1 9.6 30.4 85 83 A V G X S+ 0 0 0 -3,-1.1 3,-2.3 210,-0.1 4,-0.4 0.159 83.0 147.1-113.1 16.3 36.6 8.5 31.4 86 84 A L T < S+ 0 0 8 -3,-1.6 -9,-0.1 -4,-0.3 4,-0.1 -0.323 74.0 16.0 -57.7 130.0 36.2 5.5 28.9 87 85 A G T 3 S+ 0 0 1 -11,-0.6 -30,-0.3 2,-0.4 -1,-0.3 0.204 124.3 61.7 88.4 -14.2 34.1 2.8 30.5 88 86 A R S < S+ 0 0 51 -3,-2.3 -55,-3.2 -32,-0.1 2,-0.3 0.176 94.6 65.1-128.2 19.0 32.8 5.2 33.2 89 87 A A E -C 32 0A 1 -4,-0.4 -2,-0.4 -57,-0.2 2,-0.4 -0.999 59.3-159.9-143.5 141.5 31.0 7.8 31.1 90 88 A L E -C 31 0A 7 -59,-2.2 -59,-2.8 -2,-0.3 2,-0.6 -0.955 20.4-128.0-124.8 145.2 28.0 7.7 28.8 91 89 A L E +C 30 0A 0 -2,-0.4 -18,-3.0 -16,-0.3 -17,-0.8 -0.796 43.5 174.5 -85.1 120.4 26.8 9.9 26.1 92 90 A V E -CD 29 72A 1 -63,-2.8 -63,-2.4 -2,-0.6 2,-0.3 -0.873 32.9-103.4-132.3 163.4 23.1 10.8 26.8 93 91 A R E -C 28 0A 75 -22,-2.8 2,-0.3 -2,-0.3 -65,-0.3 -0.627 36.3-117.3 -83.3 140.9 20.3 13.0 25.6 94 92 A R - 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