==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE, TRANSFERASE 06-DEC-10 3PVC . COMPND 2 MOLECULE: TRNA 5-METHYLAMINOMETHYL-2-THIOURIDINE BIOSYNTHES . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR J.KIM,S.C.ALMO,NEW YORK STRUCTURAL GENOMICS RESEARCH CONSORT . 635 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25647.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 428 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 43 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 2 2 0 3 2 2 2 1 0 0 2 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 4 1 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 PARALLEL BRIDGES PER LADDER . 1 4 3 3 2 1 2 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 2 0 0 1 0 1 0 0 1 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 29 A F 0 0 263 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 102.8 28.3 -31.5 41.5 2 30 A S - 0 0 91 1,-0.1 6,-0.2 0, 0.0 0, 0.0 -0.379 360.0-136.9-106.7-175.0 31.3 -29.1 41.9 3 31 A N S > S+ 0 0 48 -2,-0.1 3,-1.3 5,-0.1 6,-0.3 0.430 80.2 95.8-114.9 -7.4 31.7 -25.3 42.4 4 32 A E T 3 S+ 0 0 82 1,-0.3 -1,-0.0 2,-0.1 0, 0.0 0.674 76.2 54.9 -68.9 -28.8 34.7 -25.0 39.9 5 33 A D T 3 S- 0 0 46 1,-0.0 -1,-0.3 83,-0.0 -2,-0.1 0.667 100.7-131.1 -78.3 -16.6 32.8 -24.0 36.7 6 34 A G S <> S+ 0 0 8 -3,-1.3 4,-2.0 1,-0.0 5,-0.1 0.512 75.3 115.5 82.8 6.0 31.2 -21.0 38.6 7 35 A L H > S+ 0 0 11 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.901 75.8 46.8 -73.4 -43.1 27.7 -21.8 37.4 8 36 A E H > S+ 0 0 99 2,-0.2 4,-2.4 -6,-0.2 -1,-0.2 0.903 111.5 53.8 -65.9 -40.5 26.2 -22.6 40.8 9 37 A E H > S+ 0 0 92 -6,-0.3 4,-3.3 2,-0.2 5,-0.3 0.983 107.9 48.8 -50.0 -64.0 27.8 -19.4 42.1 10 38 A T H X>S+ 0 0 11 -4,-2.0 4,-2.0 1,-0.3 5,-1.1 0.870 111.8 50.0 -44.3 -49.9 26.2 -17.3 39.4 11 39 A H H <>S+ 0 0 42 -4,-2.0 5,-2.8 3,-0.2 4,-0.5 0.924 115.4 43.2 -61.5 -39.1 22.9 -18.9 40.2 12 40 A H H <>S+ 0 0 51 -4,-2.4 5,-0.7 -3,-0.3 -2,-0.2 0.931 119.6 39.2 -73.0 -50.2 23.3 -18.2 43.9 13 41 A V H <5S+ 0 0 9 -4,-3.3 -3,-0.2 3,-0.2 -2,-0.2 0.975 131.3 19.5 -64.9 -51.6 24.6 -14.7 43.8 14 42 A F T X5S+ 0 0 9 -4,-2.0 4,-0.7 -5,-0.3 -3,-0.2 0.884 129.5 33.9 -99.0 -41.4 22.5 -13.3 41.0 15 43 A L T 4XS+ 0 0 0 -5,-1.1 5,-3.5 -4,-0.5 3,-0.4 0.965 126.8 35.6 -79.1 -57.1 19.4 -15.3 40.4 16 44 A K T >45 - 0 0 38 -3,-1.8 4,-2.2 1,-0.3 -3,-0.2 0.668 65.4-175.6 81.6 16.5 14.4 -14.1 44.3 20 48 A F T 4< + 0 0 4 -5,-3.5 -1,-0.3 1,-0.2 -2,-0.1 -0.803 51.6 15.2 -97.7 149.9 14.6 -16.2 41.1 21 49 A P T >> S+ 0 0 60 0, 0.0 3,-1.6 0, 0.0 4,-0.7 -0.980 124.5 55.7 -90.8 -6.0 13.3 -18.6 39.9 22 50 A A H >> S+ 0 0 79 1,-0.3 3,-1.1 2,-0.2 4,-1.0 0.858 102.4 60.9 -45.9 -40.5 10.4 -18.3 42.3 23 51 A R H 3X S+ 0 0 44 -4,-2.2 4,-1.2 1,-0.3 -1,-0.3 0.707 89.8 68.2 -67.7 -24.4 9.8 -14.6 41.2 24 52 A F H <4 S+ 0 0 0 -3,-1.6 40,-0.4 1,-0.2 -1,-0.3 0.896 101.9 48.8 -56.5 -40.0 9.1 -15.6 37.6 25 53 A A H << S+ 0 0 69 -3,-1.1 38,-0.3 -4,-0.7 -1,-0.2 0.827 116.0 38.7 -77.3 -37.2 5.9 -17.2 38.7 26 54 A S H < S+ 0 0 89 -4,-1.0 -1,-0.2 36,-0.1 -2,-0.2 0.544 83.4 126.6 -86.6 -7.2 4.6 -14.4 40.8 27 55 A H < - 0 0 8 -4,-1.2 37,-0.5 -5,-0.2 36,-0.2 -0.290 50.6-152.2 -63.9 127.7 5.7 -11.6 38.4 28 56 A P + 0 0 89 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.545 65.6 65.8 -85.2 -7.2 2.7 -9.5 37.6 29 57 A Q S S- 0 0 89 2,-0.2 36,-0.1 1,-0.1 -2,-0.0 -0.756 82.0-117.2-112.2 165.6 3.7 -8.2 34.1 30 58 A Q S S+ 0 0 92 -2,-0.3 35,-2.9 34,-0.2 36,-2.2 0.770 100.2 39.2 -67.3 -27.1 4.2 -9.8 30.7 31 59 A S E -a 66 0A 23 34,-0.2 2,-0.4 33,-0.2 36,-0.2 -0.893 65.4-155.4-127.2 156.0 7.9 -8.8 30.7 32 60 A C E -a 67 0A 0 34,-1.6 36,-2.7 -2,-0.3 2,-0.5 -0.997 14.9-145.0-127.4 136.5 10.6 -8.6 33.3 33 61 A I E -a 68 0A 2 -2,-0.4 112,-2.1 110,-0.3 113,-1.5 -0.892 15.7-177.2-113.7 120.7 13.6 -6.3 33.0 34 62 A F E -ab 69 146A 0 34,-3.1 36,-2.9 -2,-0.5 2,-0.4 -0.905 4.3-166.7-109.9 151.0 17.1 -7.2 34.1 35 63 A A E -ab 70 147A 0 111,-2.0 113,-3.2 -2,-0.4 2,-0.4 -0.986 3.1-170.7-138.1 147.0 20.1 -4.9 34.0 36 64 A E E -ab 71 148A 2 34,-3.0 36,-1.9 -2,-0.4 2,-0.6 -0.992 22.2-139.9-139.2 136.7 23.7 -5.8 34.5 37 65 A T E S+ab 72 149A 0 111,-1.9 113,-0.6 -2,-0.4 36,-0.1 -0.885 86.9 8.2 -91.9 120.6 27.0 -3.9 34.9 38 66 A G - 0 0 16 34,-2.8 34,-0.4 -2,-0.6 35,-0.1 -0.304 58.6-159.8 92.7 167.6 29.5 -5.8 32.8 39 67 A F > + 0 0 10 32,-0.1 3,-2.3 36,-0.1 5,-0.4 0.198 21.9 167.9-151.1 -45.4 28.7 -8.7 30.5 40 68 A G T 3 S- 0 0 29 1,-0.3 37,-0.4 2,-0.2 42,-0.1 -0.440 78.3 -15.1 67.2-115.0 32.0 -10.5 30.0 41 69 A T T 3 S- 0 0 31 -2,-0.3 -1,-0.3 35,-0.1 45,-0.0 0.418 100.1-101.7-102.7 -1.7 31.3 -13.8 28.3 42 70 A G S <> S+ 0 0 0 -3,-2.3 4,-3.3 3,-0.1 5,-0.3 0.553 73.7 144.0 96.4 11.8 27.6 -13.7 29.1 43 71 A L H > S+ 0 0 26 -4,-0.3 4,-2.2 1,-0.2 5,-0.2 0.883 74.5 42.1 -51.8 -42.3 27.7 -16.1 32.0 44 72 A N H > S+ 0 0 8 -5,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.907 116.5 47.9 -74.9 -41.4 25.0 -14.2 33.9 45 73 A F H > S+ 0 0 1 -6,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.925 113.4 46.1 -61.7 -50.4 22.8 -13.6 30.9 46 74 A L H X S+ 0 0 0 -4,-3.3 4,-3.0 2,-0.2 -2,-0.2 0.925 112.4 51.2 -61.2 -41.2 23.0 -17.3 29.7 47 75 A T H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.903 112.2 46.7 -63.2 -41.4 22.3 -18.6 33.1 48 76 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 5,-0.2 0.955 111.6 51.2 -65.1 -47.3 19.3 -16.4 33.4 49 77 A W H X S+ 0 0 9 -4,-3.0 4,-3.3 1,-0.2 5,-0.2 0.943 107.4 53.1 -53.1 -52.5 18.0 -17.4 30.0 50 78 A R H X S+ 0 0 71 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.920 112.5 44.4 -51.2 -50.0 18.3 -21.0 30.8 51 79 A D H X S+ 0 0 19 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.818 112.6 51.0 -62.2 -40.4 16.2 -20.6 34.0 52 80 A F H X S+ 0 0 7 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.873 109.7 51.3 -68.6 -36.3 13.7 -18.4 32.2 53 81 A A H X S+ 0 0 25 -4,-3.3 4,-1.7 -5,-0.2 -2,-0.2 0.924 109.1 49.4 -65.3 -43.2 13.4 -21.0 29.5 54 82 A L H X S+ 0 0 84 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.928 111.7 51.3 -58.8 -40.3 12.7 -23.8 32.0 55 83 A F H X S+ 0 0 12 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.867 107.9 50.3 -67.0 -35.9 10.1 -21.6 33.6 56 84 A R H < S+ 0 0 46 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.780 109.5 52.0 -72.1 -29.1 8.3 -21.0 30.3 57 85 A Q H < S+ 0 0 151 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.924 115.2 42.0 -66.9 -45.4 8.2 -24.7 29.6 58 86 A Q H < S+ 0 0 152 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.742 126.6 28.4 -77.2 -27.0 6.7 -25.4 33.0 59 87 A S >< + 0 0 30 -4,-1.9 3,-1.8 -5,-0.2 -1,-0.2 -0.502 60.5 162.8-136.0 70.7 4.2 -22.5 33.1 60 88 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.675 80.8 50.9 -64.4 -14.9 3.2 -21.6 29.5 61 89 A N T 3 S+ 0 0 155 -3,-0.1 4,-0.1 4,-0.0 -5,-0.1 0.365 81.6 116.7-104.3 0.3 0.1 -19.8 30.9 62 90 A A S < S- 0 0 21 -3,-1.8 -36,-0.1 2,-0.1 -37,-0.1 -0.272 76.3-113.8 -62.8 156.4 1.9 -17.6 33.5 63 91 A T S S+ 0 0 77 -38,-0.3 2,-0.2 -36,-0.2 -1,-0.1 0.971 95.9 82.7 -54.9 -54.5 1.8 -13.8 33.1 64 92 A L + 0 0 0 -37,-0.5 -34,-0.2 -40,-0.4 -33,-0.2 -0.305 43.6 148.4 -64.2 119.8 5.5 -13.4 32.4 65 93 A R + 0 0 106 -35,-2.9 2,-0.4 1,-0.2 -34,-0.2 0.519 55.8 47.4-121.7 -17.4 6.3 -14.2 28.7 66 94 A R E -a 31 0A 26 -36,-2.2 -34,-1.6 191,-0.0 2,-0.4 -0.965 56.2-155.1-139.4 150.8 9.3 -11.9 27.9 67 95 A L E -ac 32 120A 4 52,-3.1 54,-2.2 -2,-0.4 2,-0.4 -0.954 3.4-166.9-128.6 135.6 12.6 -10.9 29.2 68 96 A H E -ac 33 121A 6 -36,-2.7 -34,-3.1 -2,-0.4 2,-0.4 -0.994 9.5-169.4-118.3 134.3 14.5 -7.8 28.5 69 97 A Y E -ac 34 122A 0 52,-3.0 54,-3.4 -2,-0.4 2,-0.5 -0.980 4.0-166.2-129.9 126.7 18.1 -7.6 29.6 70 98 A I E -ac 35 123A 0 -36,-2.9 -34,-3.0 -2,-0.4 2,-0.4 -0.937 12.4-179.0-119.4 123.9 20.2 -4.5 29.6 71 99 A S E -ac 36 124A 0 52,-2.9 54,-3.7 -2,-0.5 2,-0.6 -0.976 20.3-152.1-131.0 142.4 23.9 -4.7 29.9 72 100 A F E +ac 37 125A 2 -36,-1.9 -34,-2.8 -34,-0.4 2,-0.5 -0.920 20.5 175.0-112.3 111.7 26.8 -2.3 30.1 73 101 A E E + c 0 126A 23 52,-2.7 54,-1.9 -2,-0.6 -2,-0.0 -0.963 18.5 179.7-125.1 121.2 30.2 -3.5 28.8 74 102 A K S S+ 0 0 87 -2,-0.5 -1,-0.1 1,-0.2 54,-0.1 0.800 86.5 39.8 -83.3 -35.2 33.3 -1.3 28.5 75 103 A Y S S- 0 0 158 52,-0.1 2,-0.4 51,-0.0 -1,-0.2 -0.718 79.6-165.4-118.2 76.6 35.5 -4.1 27.1 76 104 A P - 0 0 30 0, 0.0 -35,-0.1 0, 0.0 50,-0.0 -0.485 15.2-137.3 -63.6 124.0 33.4 -6.1 24.6 77 105 A L - 0 0 58 -37,-0.4 2,-0.2 -2,-0.4 -37,-0.0 -0.178 19.1-104.8 -70.7 163.1 35.1 -9.5 23.8 78 106 A H >> - 0 0 114 1,-0.1 4,-1.8 28,-0.0 3,-0.5 -0.540 33.5-108.9 -79.2 158.5 35.3 -11.0 20.3 79 107 A V H 3> S+ 0 0 65 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.872 119.1 57.7 -62.5 -32.2 33.0 -13.9 19.4 80 108 A A H 3> S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.849 105.1 50.7 -64.2 -34.1 35.9 -16.3 19.4 81 109 A D H <> S+ 0 0 79 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.892 110.3 50.5 -66.5 -44.7 36.7 -15.3 23.0 82 110 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.930 111.2 47.8 -54.6 -49.1 33.1 -16.0 23.9 83 111 A A H X S+ 0 0 41 -4,-2.6 4,-0.6 1,-0.2 -2,-0.2 0.892 110.3 52.8 -63.0 -39.0 33.2 -19.4 22.2 84 112 A S H >< S+ 0 0 92 -4,-2.1 3,-0.7 1,-0.2 -1,-0.2 0.903 111.9 43.0 -66.8 -42.0 36.3 -20.3 24.0 85 113 A A H >< S+ 0 0 26 -4,-2.0 3,-1.8 1,-0.2 4,-0.3 0.818 103.3 67.1 -75.6 -27.0 35.0 -19.5 27.5 86 114 A H H >< S+ 0 0 10 -4,-2.1 3,-1.3 1,-0.3 -1,-0.2 0.640 79.0 80.7 -70.6 -12.2 31.6 -21.2 26.8 87 115 A A T << S+ 0 0 82 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.811 84.8 63.2 -58.9 -27.4 33.4 -24.5 26.7 88 116 A R T < S+ 0 0 133 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.750 104.7 46.8 -67.3 -23.8 33.3 -24.4 30.5 89 117 A W X + 0 0 7 -3,-1.3 3,-2.4 -4,-0.3 4,-0.4 -0.493 58.6 161.2-124.6 67.8 29.5 -24.4 30.5 90 118 A P G > S+ 0 0 88 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.800 74.9 66.0 -58.1 -29.0 28.3 -27.2 28.1 91 119 A E G 3 S+ 0 0 90 1,-0.3 3,-0.2 -3,-0.2 4,-0.1 0.722 103.6 46.2 -67.8 -13.1 24.9 -27.1 29.8 92 120 A L G X> S+ 0 0 2 -3,-2.4 4,-2.7 -6,-0.2 3,-1.6 0.432 82.9 114.9 -98.5 0.5 24.4 -23.6 28.5 93 121 A A H <> S+ 0 0 37 -3,-1.6 4,-2.1 -4,-0.4 5,-0.2 0.731 71.8 46.6 -44.4 -48.8 25.6 -24.6 25.0 94 122 A S H 3> S+ 0 0 62 -4,-0.3 4,-0.8 2,-0.2 -1,-0.3 0.761 115.7 44.9 -74.0 -25.9 22.4 -24.1 23.1 95 123 A F H <> S+ 0 0 29 -3,-1.6 4,-2.1 2,-0.2 3,-0.5 0.919 112.7 53.3 -76.2 -44.2 21.7 -20.7 24.5 96 124 A A H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.3 -2,-0.2 0.823 105.9 52.9 -55.3 -41.8 25.3 -19.7 24.1 97 125 A E H X S+ 0 0 105 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.3 0.846 108.0 50.1 -64.1 -37.0 25.2 -20.7 20.4 98 126 A Q H X S+ 0 0 77 -4,-0.8 4,-0.6 -3,-0.5 -2,-0.2 0.901 112.8 48.1 -73.3 -37.9 22.2 -18.5 19.7 99 127 A L H >< S+ 0 0 1 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.937 111.6 47.2 -60.9 -54.8 24.0 -15.6 21.5 100 128 A R H >< S+ 0 0 64 -4,-2.8 3,-1.2 1,-0.3 -2,-0.2 0.834 102.3 67.3 -60.5 -30.4 27.3 -16.0 19.6 101 129 A A H 3< S+ 0 0 73 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.813 113.9 28.9 -62.7 -20.2 25.3 -16.3 16.3 102 130 A Q T << S+ 0 0 26 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.175 81.8 140.6-126.2 16.3 24.3 -12.6 16.8 103 131 A W < - 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