==== 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 TRANSFERASE 20-NOV-98 1QPN . COMPND 2 MOLECULE: PROTEIN (QUINOLINATE PHOSPHORIBOSYL TRANSFERASE); . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS H37RV; . AUTHOR V.SHARMA,C.GRUBMEYER,J.C.SACCHETTINI,TB STRUCTURAL GENOMICS . 1704 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59102.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1286 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 150 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 146 8.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 136 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 163 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 629 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.1 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 3 9 12 0 0 2 10 6 0 6 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 6 RESIDUES PER ALPHA HELIX . 6 0 18 6 6 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 6 0 6 6 0 6 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 . 6 0 6 0 0 6 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 2 A G 0 0 82 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.5 -5.1 24.8 33.0 2 3 A L - 0 0 29 4,-0.1 2,-0.1 2,-0.0 145,-0.0 -0.625 360.0-136.7 -77.0 130.5 -7.2 23.7 30.0 3 4 A S > - 0 0 48 -2,-0.3 4,-3.6 1,-0.1 5,-0.2 -0.462 31.2-101.9 -79.3 162.7 -10.9 23.4 30.8 4 5 A D H > S+ 0 0 141 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.853 126.8 52.1 -56.9 -30.5 -12.7 20.4 29.5 5 6 A W H > S+ 0 0 86 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.924 113.4 42.8 -69.9 -44.2 -14.1 22.6 26.7 6 7 A E H > S+ 0 0 8 1,-0.2 4,-3.3 2,-0.2 -2,-0.2 0.896 108.7 59.6 -67.9 -38.4 -10.6 23.8 25.8 7 8 A L H X S+ 0 0 50 -4,-3.6 4,-2.4 1,-0.2 -1,-0.2 0.870 106.7 47.1 -59.0 -36.3 -9.2 20.3 26.1 8 9 A A H X S+ 0 0 50 -4,-1.5 4,-3.0 -5,-0.2 -1,-0.2 0.901 110.8 50.4 -72.7 -41.4 -11.6 19.1 23.4 9 10 A A H X S+ 0 0 11 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.951 110.2 52.5 -61.1 -43.7 -10.7 22.0 21.1 10 11 A A H X S+ 0 0 0 -4,-3.3 4,-3.6 1,-0.2 5,-0.3 0.957 110.5 46.5 -54.4 -54.5 -7.0 21.1 21.8 11 12 A R H X S+ 0 0 122 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.906 112.6 50.2 -55.0 -46.4 -7.6 17.5 20.8 12 13 A A H X S+ 0 0 33 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.943 113.4 46.2 -60.2 -43.0 -9.5 18.6 17.7 13 14 A A H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.963 112.9 47.3 -65.0 -51.2 -6.8 20.9 16.7 14 15 A I H X S+ 0 0 1 -4,-3.6 4,-2.7 1,-0.2 5,-0.2 0.915 112.6 52.0 -60.4 -37.0 -4.0 18.4 17.3 15 16 A A H X S+ 0 0 47 -4,-3.0 4,-2.5 -5,-0.3 -1,-0.2 0.937 110.3 46.3 -64.6 -46.2 -6.0 15.8 15.3 16 17 A R H X S+ 0 0 61 -4,-2.6 4,-2.0 -5,-0.2 412,-0.3 0.932 112.4 52.5 -61.7 -43.6 -6.5 18.1 12.3 17 18 A G H X S+ 0 0 2 -4,-2.8 4,-1.7 -5,-0.2 -2,-0.2 0.954 110.4 45.8 -56.8 -49.8 -2.8 19.0 12.4 18 19 A L H X S+ 0 0 16 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.905 108.9 56.1 -62.5 -40.1 -1.6 15.4 12.4 19 20 A D H X S+ 0 0 85 -4,-2.5 4,-1.3 -5,-0.2 -1,-0.2 0.903 104.8 52.3 -62.0 -35.9 -4.0 14.5 9.7 20 21 A E H < S+ 0 0 14 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.919 114.8 42.7 -66.1 -38.5 -2.5 17.2 7.4 21 22 A D H < S+ 0 0 0 -4,-1.7 428,-1.6 1,-0.2 429,-0.8 0.829 120.3 39.6 -73.2 -39.5 1.0 15.9 8.0 22 23 A L H >< S+ 0 0 67 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.498 88.3 94.4 -91.6 -3.5 0.3 12.2 7.7 23 24 A R T 3< S+ 0 0 89 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.1 0.806 91.3 41.4 -57.0 -32.6 -2.2 12.6 4.8 24 25 A Y T 3 S- 0 0 80 1,-0.4 -1,-0.3 -3,-0.4 -2,-0.1 0.417 128.5 -68.0 -99.8 2.0 0.6 11.9 2.3 25 26 A G < - 0 0 21 -3,-1.3 425,-0.6 2,-0.0 -1,-0.4 -0.548 59.7 -62.0 132.1 164.1 2.4 9.2 4.1 26 27 A P - 0 0 78 0, 0.0 2,-2.3 0, 0.0 3,-0.1 -0.218 67.9 -80.1 -75.4 166.3 4.5 8.4 7.2 27 28 A D >> - 0 0 10 1,-0.2 4,-2.2 70,-0.1 3,-0.7 -0.470 52.0-174.6 -70.1 85.8 7.8 9.9 7.9 28 29 A V H 3> S+ 0 0 25 -2,-2.3 4,-2.2 421,-0.2 -1,-0.2 0.816 76.7 56.6 -54.2 -29.5 9.6 7.5 5.5 29 30 A T H 3> S+ 0 0 0 2,-0.2 4,-1.8 423,-0.2 -1,-0.2 0.850 106.9 43.9 -77.8 -34.5 12.9 8.9 6.5 30 31 A T H <> S+ 0 0 0 -3,-0.7 4,-3.8 2,-0.2 -2,-0.2 0.932 113.4 54.6 -71.4 -44.2 12.7 8.3 10.3 31 32 A L H < S+ 0 0 76 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.920 111.8 44.3 -50.0 -48.0 11.3 4.9 9.5 32 33 A A H < S+ 0 0 39 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.869 126.4 27.6 -69.5 -36.3 14.3 4.2 7.4 33 34 A T H < S+ 0 0 14 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.2 0.700 110.1 64.2-102.3 -21.4 17.0 5.5 9.8 34 35 A V S < S- 0 0 6 -4,-3.8 -1,-0.1 -5,-0.2 2,-0.1 -0.917 72.7-129.7-117.7 126.3 15.6 5.2 13.3 35 36 A P > - 0 0 68 0, 0.0 3,-1.6 0, 0.0 62,-0.3 -0.358 17.9-125.3 -66.7 146.3 14.8 2.0 15.2 36 37 A A T 3 S+ 0 0 54 1,-0.3 61,-0.1 -5,-0.1 -5,-0.0 0.747 109.9 58.0 -63.9 -24.4 11.5 1.5 16.9 37 38 A S T 3 S+ 0 0 112 58,-0.1 -1,-0.3 59,-0.1 2,-0.1 0.603 81.5 117.8 -83.3 -8.1 13.3 0.7 20.2 38 39 A A < - 0 0 25 -3,-1.6 58,-1.0 57,-0.1 59,-0.4 -0.324 40.6-177.1 -66.0 139.7 15.0 4.0 20.2 39 40 A T E -A 95 0A 91 56,-0.3 2,-0.3 57,-0.1 56,-0.2 -0.994 1.5-179.6-139.0 137.1 14.3 6.4 23.0 40 41 A T E -A 94 0A 32 54,-3.0 54,-2.6 -2,-0.4 2,-0.5 -0.841 30.6-124.1-132.0 171.1 15.6 10.0 23.6 41 42 A T E -A 93 0A 64 -2,-0.3 2,-0.3 52,-0.3 52,-0.3 -0.966 39.7-179.4-114.6 124.4 15.5 12.8 26.0 42 43 A A E -A 92 0A 0 50,-2.6 50,-2.8 -2,-0.5 2,-0.4 -0.908 14.1-151.4-126.1 158.4 14.3 15.9 24.1 43 44 A S E -AB 91 283A 26 240,-2.6 240,-3.5 -2,-0.3 2,-0.7 -0.969 14.3-137.9-133.5 141.5 13.7 19.4 25.2 44 45 A L E -AB 90 282A 2 46,-2.5 45,-2.5 -2,-0.4 46,-0.9 -0.932 37.2-179.7 -92.3 113.5 11.3 22.1 23.9 45 46 A V E -AB 88 281A 7 236,-2.8 236,-3.0 -2,-0.7 43,-0.2 -0.979 24.9-124.5-124.3 139.8 13.5 25.2 24.0 46 47 A T E - B 0 280A 0 41,-1.8 234,-0.3 -2,-0.4 3,-0.1 -0.465 5.6-159.0 -75.1 140.2 12.7 28.7 23.0 47 48 A R S S+ 0 0 56 232,-3.4 1319,-0.3 -2,-0.2 2,-0.3 0.440 81.7 22.1 -92.5 -6.0 14.8 30.5 20.4 48 49 A E S S- 0 0 48 231,-0.8 2,-0.3 37,-0.4 39,-0.2 -0.852 90.3 -85.5-148.7 178.5 13.5 33.8 21.9 49 50 A A + 0 0 57 -2,-0.3 2,-0.3 37,-0.1 230,-0.1 -0.755 62.0 104.2 -95.7 153.0 12.0 35.4 24.9 50 51 A G E -D 83 0B 12 33,-1.9 33,-3.4 -2,-0.3 2,-0.4 -0.922 67.9 -62.7 175.3-156.5 8.3 35.4 25.7 51 52 A V E -D 82 0B 5 63,-0.4 67,-0.3 -2,-0.3 2,-0.3 -0.970 50.4-129.2-122.9 130.4 5.5 34.0 27.8 52 53 A V + 0 0 0 29,-2.1 28,-3.2 -2,-0.4 2,-0.3 -0.641 33.6 163.1 -87.2 142.0 4.8 30.4 27.4 53 54 A A + 0 0 0 57,-0.3 61,-0.3 -2,-0.3 62,-0.1 -0.969 51.4 38.3-153.9 143.1 1.4 29.0 26.7 54 55 A G > + 0 0 0 -2,-0.3 4,-1.0 59,-0.2 56,-0.1 0.618 58.8 136.6 94.3 18.4 0.1 25.7 25.4 55 56 A L H >> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 3,-0.6 0.885 73.6 54.8 -65.4 -38.1 2.4 23.2 27.0 56 57 A D H 3> S+ 0 0 42 1,-0.3 4,-3.1 2,-0.2 -1,-0.2 0.882 102.1 58.6 -63.2 -35.2 -0.4 20.8 27.9 57 58 A V H 3> S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.867 103.0 53.6 -61.7 -31.0 -1.3 20.9 24.2 58 59 A A H XX S+ 0 0 0 -4,-1.0 4,-1.6 -3,-0.6 3,-0.5 0.973 109.7 46.1 -67.4 -52.2 2.3 19.6 23.6 59 60 A L H >X S+ 0 0 23 -4,-2.0 4,-2.4 1,-0.2 3,-0.7 0.947 109.7 55.5 -53.3 -48.3 1.7 16.7 26.0 60 61 A L H 3X S+ 0 0 21 -4,-3.1 4,-1.7 1,-0.3 -1,-0.2 0.804 104.8 53.5 -54.5 -34.6 -1.7 16.0 24.4 61 62 A T H S+ 0 0 0 -4,-1.6 4,-4.0 -3,-0.7 5,-0.9 0.914 106.2 55.8 -72.0 -41.3 2.3 13.1 22.4 63 64 A N H X5S+ 0 0 38 -4,-2.4 4,-1.5 1,-0.3 -2,-0.2 0.934 109.8 48.2 -55.3 -43.6 -0.5 11.2 24.0 64 65 A E H <5S+ 0 0 114 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.803 122.0 32.7 -68.3 -31.8 -2.0 11.0 20.6 65 66 A V H <5S+ 0 0 42 -4,-1.2 -2,-0.2 -3,-0.3 -3,-0.2 0.854 134.5 21.4 -96.8 -35.7 1.2 9.8 18.9 66 67 A L H <5S- 0 0 29 -4,-4.0 -3,-0.2 -5,-0.1 -2,-0.2 0.522 108.7-107.3-108.4 -9.9 2.9 7.7 21.5 67 68 A G ><< - 0 0 33 -4,-1.5 3,-3.1 -5,-0.9 4,-0.3 0.182 44.4 -72.8 89.9 144.1 0.1 6.8 23.8 68 69 A T T 3 S+ 0 0 95 1,-0.3 3,-0.3 -5,-0.2 -1,-0.2 0.742 136.3 34.6 -39.9 -40.5 -0.5 8.2 27.3 69 70 A N T 3 S+ 0 0 156 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 -0.119 87.8 102.0-110.1 32.5 2.4 6.3 28.7 70 71 A G S < S+ 0 0 27 -3,-3.1 25,-0.9 -8,-0.1 2,-0.3 0.482 86.5 32.2 -93.2 0.5 4.6 6.4 25.7 71 72 A Y E -C 94 0A 42 -3,-0.3 2,-0.4 -4,-0.3 23,-0.2 -0.935 67.8-137.3-148.2 168.6 6.8 9.2 27.2 72 73 A R E -C 93 0A 130 21,-2.9 21,-3.1 -2,-0.3 2,-0.7 -0.997 13.8-142.6-136.7 126.3 8.0 10.5 30.5 73 74 A V E +C 92 0A 54 -2,-0.4 19,-0.3 19,-0.2 3,-0.1 -0.824 19.3 177.0 -91.3 115.8 8.1 14.2 31.4 74 75 A L E - 0 0 66 17,-2.3 2,-0.3 -2,-0.7 18,-0.2 0.803 68.7 -7.6 -85.4 -34.5 11.3 14.9 33.4 75 76 A D E +C 91 0A 101 16,-2.2 16,-3.9 2,-0.0 -1,-0.3 -0.982 60.7 175.1-164.4 147.8 10.6 18.5 33.7 76 77 A R E -C 90 0A 55 -2,-0.3 14,-0.3 14,-0.3 2,-0.2 -0.991 24.1-126.7-154.2 158.1 8.3 21.3 32.6 77 78 A V - 0 0 29 12,-2.8 2,-0.3 -2,-0.3 12,-0.0 -0.524 37.8-101.5-100.0 163.8 7.7 25.0 33.1 78 79 A E > - 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