==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-JUN-12 4AWH . COMPND 2 MOLECULE: POLYMERASE PA; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA VIRUS; . AUTHOR E.KOWALINSKI,C.ZUBIETA,A.WOLKERSTORFER,O.H.SZOLAR,R.W.RUIGRO . 764 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37124.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 525 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 . 38 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 319 41.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.7 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 2 2 4 0 0 3 1 3 1 4 0 0 4 1 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 4 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 3 15 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 . 0 4 0 4 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 M 0 0 102 0, 0.0 2,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 121.8 5.4 17.8 -19.0 2 0 A A > - 0 0 36 1,-0.1 4,-2.0 4,-0.0 5,-0.1 -0.293 360.0-112.6 -71.7 163.3 7.8 20.7 -19.1 3 1 A M H > S+ 0 0 7 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.963 118.5 59.2 -64.3 -46.2 11.5 20.0 -18.7 4 2 A E H > S+ 0 0 65 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.816 107.6 45.5 -49.8 -35.9 11.5 21.8 -15.3 5 3 A D H > S+ 0 0 87 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.886 110.5 53.3 -77.7 -39.8 8.8 19.3 -14.1 6 4 A F H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 3,-0.4 0.927 104.8 55.4 -56.0 -47.0 10.7 16.4 -15.4 7 5 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.940 107.8 48.9 -53.1 -47.6 13.9 17.5 -13.6 8 6 A R H < S+ 0 0 106 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.769 116.4 42.0 -68.9 -25.6 12.1 17.5 -10.3 9 7 A Q H < S+ 0 0 139 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.758 118.5 45.3 -86.4 -26.7 10.6 14.1 -10.8 10 8 A C H < S+ 0 0 14 -4,-2.7 2,-0.3 -5,-0.2 -2,-0.2 0.843 107.2 56.4 -87.7 -36.9 13.8 12.5 -12.2 11 9 A F S < S- 0 0 7 -4,-2.5 31,-0.0 -5,-0.3 5,-0.0 -0.767 90.2-100.6-106.0 143.5 16.5 13.7 -9.8 12 10 A N >> - 0 0 79 -2,-0.3 4,-2.2 1,-0.1 3,-0.5 -0.259 37.2-118.5 -51.7 139.6 16.8 13.4 -6.0 13 11 A P H 3> S+ 0 0 52 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.720 112.7 57.7 -63.5 -18.4 15.7 16.7 -4.3 14 12 A M H 3> S+ 0 0 9 2,-0.2 4,-2.4 3,-0.1 5,-0.2 0.885 107.1 47.7 -74.5 -39.7 19.1 17.2 -2.8 15 13 A I H <> S+ 0 0 7 -3,-0.5 4,-3.1 2,-0.2 5,-0.2 0.930 110.5 52.3 -61.7 -46.0 20.7 17.1 -6.2 16 14 A V H X S+ 0 0 7 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.888 111.2 47.1 -59.0 -41.0 18.1 19.5 -7.5 17 15 A E H X S+ 0 0 5 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.906 113.3 46.7 -68.7 -42.4 18.9 21.9 -4.6 18 16 A L H X S+ 0 0 5 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.934 115.1 48.4 -65.1 -39.2 22.7 21.7 -5.1 19 17 A A H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.903 110.8 50.2 -66.5 -40.9 22.1 22.2 -8.8 20 18 A E H X S+ 0 0 23 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.901 110.6 48.6 -61.4 -44.0 19.8 25.2 -8.3 21 19 A K H X S+ 0 0 74 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.905 111.7 50.7 -66.2 -37.9 22.3 26.9 -5.9 22 20 A A H X S+ 0 0 8 -4,-2.2 4,-3.8 1,-0.2 -2,-0.2 0.939 109.2 50.9 -64.0 -44.8 25.1 26.3 -8.5 23 21 A M H <>S+ 0 0 0 -4,-2.6 5,-2.9 2,-0.2 4,-0.3 0.885 111.0 48.0 -58.2 -42.2 23.1 27.8 -11.3 24 22 A K H ><5S+ 0 0 140 -4,-2.0 3,-1.4 3,-0.2 -1,-0.2 0.950 114.2 44.8 -67.7 -45.2 22.3 30.8 -9.3 25 23 A E H 3<5S+ 0 0 61 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.951 112.6 53.2 -60.2 -43.3 25.9 31.3 -8.3 26 24 A Y T 3<5S- 0 0 99 -4,-3.8 -1,-0.3 -5,-0.2 -2,-0.2 0.508 122.1-113.0 -66.8 -9.6 26.8 30.6 -12.0 27 25 A G T < 5S+ 0 0 66 -3,-1.4 2,-0.3 -4,-0.3 -3,-0.2 0.577 73.1 121.9 89.6 12.4 24.3 33.4 -13.0 28 26 A E < - 0 0 66 -5,-2.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.800 60.3-123.0-112.8 156.2 21.5 31.4 -14.7 29 27 A D >> - 0 0 42 -2,-0.3 4,-3.5 1,-0.1 3,-1.5 -0.825 12.6-159.5 -99.1 109.8 17.8 31.1 -14.1 30 28 A P T 34 S+ 0 0 8 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 0.769 92.9 56.3 -56.5 -30.8 16.7 27.4 -13.6 31 29 A K T 34 S+ 0 0 145 1,-0.1 3,-0.2 2,-0.1 -27,-0.1 0.647 119.9 30.5 -82.6 -12.6 13.1 28.3 -14.4 32 30 A I T <4 S+ 0 0 104 -3,-1.5 2,-1.6 1,-0.1 3,-0.2 0.768 117.9 51.2-103.7 -50.6 14.2 29.8 -17.8 33 31 A E X + 0 0 96 -4,-3.5 4,-2.2 1,-0.2 -1,-0.1 -0.524 68.9 158.1 -91.4 70.3 17.2 27.8 -18.8 34 32 A T H > + 0 0 24 -2,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.779 67.8 50.1 -72.6 -31.4 15.5 24.5 -18.2 35 33 A N H > S+ 0 0 22 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.871 111.0 50.2 -74.6 -38.6 17.7 22.3 -20.5 36 34 A K H > S+ 0 0 85 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.936 108.8 54.1 -59.3 -43.1 20.8 23.7 -18.8 37 35 A F H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.920 109.2 46.5 -58.9 -47.6 19.2 22.9 -15.4 38 36 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.867 113.2 50.3 -57.8 -42.4 18.7 19.3 -16.4 39 37 A A H X S+ 0 0 19 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.914 110.4 48.6 -65.6 -43.0 22.3 19.1 -17.7 40 38 A I H X S+ 0 0 17 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.916 112.0 49.4 -64.7 -44.6 23.7 20.6 -14.4 41 39 A C H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.903 113.3 47.2 -56.4 -46.6 21.7 18.1 -12.4 42 40 A T H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.945 113.2 47.2 -63.7 -49.7 22.9 15.2 -14.6 43 41 A H H X S+ 0 0 25 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.890 112.6 49.4 -57.4 -45.3 26.5 16.3 -14.4 44 42 A L H X S+ 0 0 2 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.936 111.1 49.1 -63.4 -46.3 26.4 16.8 -10.7 45 43 A E H X S+ 0 0 28 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.899 109.5 52.1 -59.6 -38.2 24.9 13.4 -10.2 46 44 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.903 107.8 52.8 -65.0 -41.8 27.5 11.8 -12.4 47 45 A C H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.943 111.2 46.2 -58.4 -47.3 30.2 13.6 -10.3 48 46 A F H X S+ 0 0 12 -4,-2.6 4,-2.0 1,-0.2 3,-0.3 0.908 112.3 50.8 -58.4 -44.3 28.7 12.0 -7.1 49 47 A M H < S+ 0 0 17 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.852 104.1 57.8 -64.0 -36.0 28.4 8.6 -8.8 50 48 A Y H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.870 113.3 40.0 -58.5 -41.6 32.1 8.6 -9.9 51 49 A S H >< S+ 0 0 0 -4,-1.3 3,-1.7 -3,-0.3 27,-0.3 0.796 88.9 111.9 -80.8 -33.8 33.1 9.0 -6.3 52 50 A D T 3< S+ 0 0 29 -4,-2.0 3,-0.1 1,-0.2 14,-0.0 -0.117 86.8 4.0 -44.4 132.6 30.6 6.6 -4.6 53 51 A F T 3 S+ 0 0 60 1,-0.2 12,-2.4 11,-0.1 2,-0.5 0.408 97.2 116.8 78.3 0.1 32.1 3.5 -3.1 54 52 A H E < +A 64 0A 2 -3,-1.7 23,-2.2 10,-0.2 24,-0.5 -0.888 38.5 165.4-106.6 125.4 35.8 4.3 -3.8 55 53 A F E -AB 63 76A 25 8,-2.8 8,-2.5 -2,-0.5 2,-0.5 -0.890 38.6-126.6-137.2 164.0 38.1 4.7 -0.8 56 54 A I E -AB 62 75A 30 19,-3.2 19,-0.8 -2,-0.3 6,-0.2 -0.969 34.0-143.2-108.0 120.3 41.6 4.9 0.4 57 55 A D > - 0 0 37 4,-2.7 3,-1.7 -2,-0.5 489,-0.0 -0.139 31.5 -95.7 -75.5 176.1 42.3 2.4 3.2 58 56 A E T 3 S+ 0 0 142 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.684 126.4 60.0 -69.3 -16.7 44.6 3.0 6.2 59 57 A R T 3 S- 0 0 143 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.139 120.7-109.9 -91.8 13.9 47.4 1.2 4.2 60 58 A G S < S+ 0 0 55 -3,-1.7 2,-0.3 1,-0.2 -2,-0.1 0.476 74.5 134.4 75.5 4.5 47.1 3.9 1.5 61 59 A E - 0 0 109 1,-0.0 -4,-2.7 -5,-0.0 2,-0.6 -0.634 58.7-119.0 -94.1 144.1 45.5 1.5 -1.1 62 60 A S E +A 56 0A 34 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.692 43.9 166.3 -81.3 118.6 42.5 2.2 -3.3 63 61 A I E -A 55 0A 57 -8,-2.5 -8,-2.8 -2,-0.6 2,-0.4 -0.867 32.2-120.5-130.5 164.5 39.7 -0.2 -2.6 64 62 A I E +A 54 0A 86 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.877 25.5 175.3-109.0 138.3 36.0 -0.6 -3.4 65 63 A V + 0 0 16 -12,-2.4 -12,-0.1 -2,-0.4 -2,-0.0 -0.902 9.8 169.1-146.9 108.4 33.3 -0.8 -0.7 66 64 A E + 0 0 80 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.766 53.8 95.5 -96.0 -32.7 29.6 -0.8 -1.7 67 65 A S S S- 0 0 55 1,-0.1 2,-2.0 -14,-0.1 5,-0.0 -0.474 79.0-133.5 -54.3 122.3 28.1 -1.8 1.7 68 66 A G - 0 0 72 -2,-0.2 -1,-0.1 3,-0.0 -2,-0.1 -0.580 37.6-168.7 -76.3 73.6 27.1 1.6 3.3 69 67 A D > - 0 0 13 -2,-2.0 3,-0.7 1,-0.1 472,-0.0 -0.559 27.6-143.9 -76.6 125.1 28.7 0.4 6.5 70 68 A P T 3 S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 297,-0.1 0.760 107.4 43.7 -55.4 -27.8 28.1 2.5 9.6 71 69 A N T 3 S+ 0 0 2 471,-0.1 2,-1.5 296,-0.1 473,-0.2 0.637 85.0 103.9 -92.0 -14.4 31.7 1.7 10.7 72 70 A A < + 0 0 13 -3,-0.7 2,-0.1 472,-0.1 471,-0.1 -0.514 38.5 150.7 -65.3 91.5 33.1 2.3 7.2 73 71 A L + 0 0 8 -2,-1.5 2,-0.2 294,-0.1 -1,-0.1 -0.489 21.6 141.3-126.3 59.6 34.6 5.7 8.0 74 72 A L - 0 0 25 136,-0.2 2,-0.3 1,-0.1 -17,-0.1 -0.510 59.5 -87.9 -99.3 163.8 37.5 5.8 5.6 75 73 A K E -B 56 0A 88 -19,-0.8 -19,-3.2 -2,-0.2 135,-0.2 -0.576 48.0-116.3 -71.8 130.6 39.0 8.6 3.5 76 74 A H E -B 55 0A 14 133,-2.2 -21,-0.3 -2,-0.3 38,-0.1 -0.416 8.9-137.4 -64.5 140.4 37.3 8.9 0.1 77 75 A R S S+ 0 0 12 -23,-2.2 37,-3.3 -26,-0.3 2,-0.3 0.858 90.7 42.7 -65.6 -35.8 39.4 8.2 -3.0 78 76 A F E -C 113 0B 2 -24,-0.5 2,-0.4 -27,-0.3 35,-0.2 -0.810 69.7-151.8-110.5 150.5 37.9 11.2 -4.7 79 77 A E E -C 112 0B 13 33,-1.9 33,-1.9 -2,-0.3 2,-0.5 -0.949 22.9-132.9-109.8 144.5 37.1 14.6 -3.4 80 78 A I E +C 111 0B 0 -2,-0.4 31,-0.3 31,-0.2 30,-0.1 -0.865 30.2 169.2-102.1 128.0 34.2 16.4 -5.2 81 79 A I > + 0 0 4 29,-3.6 3,-1.5 -2,-0.5 30,-0.2 0.800 54.6 87.2-100.8 -40.9 34.7 19.9 -6.3 82 80 A E T 3 S+ 0 0 21 28,-1.7 3,-0.1 1,-0.2 28,-0.1 -0.262 86.7 34.6 -61.0 144.7 31.5 20.4 -8.4 83 81 A G T 3 S+ 0 0 13 1,-0.4 -1,-0.2 -65,-0.1 2,-0.2 0.028 94.0 108.2 92.9 -22.2 28.4 21.5 -6.5 84 82 A R S < S- 0 0 18 -3,-1.5 -1,-0.4 1,-0.1 133,-0.0 -0.549 76.3-110.9 -80.9 150.6 30.4 23.6 -4.1 85 83 A D > - 0 0 29 -2,-0.2 4,-3.1 -3,-0.1 5,-0.2 -0.307 38.0 -98.1 -75.0 166.1 30.3 27.3 -4.3 86 84 A R H > S+ 0 0 127 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.878 121.6 52.3 -56.9 -41.9 33.4 29.1 -5.6 87 85 A I H > S+ 0 0 111 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.947 117.4 38.3 -58.9 -47.5 34.6 30.0 -2.1 88 86 A M H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.847 111.7 57.7 -77.4 -32.3 34.4 26.5 -0.9 89 87 A A H X S+ 0 0 2 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.928 110.7 44.0 -61.3 -46.6 35.6 24.9 -4.1 90 88 A W H X S+ 0 0 80 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.845 109.0 57.7 -66.5 -37.4 38.9 26.9 -3.9 91 89 A T H X S+ 0 0 23 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.929 111.4 42.1 -52.9 -47.5 39.2 26.1 -0.2 92 90 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.904 113.4 50.6 -71.1 -41.4 39.1 22.5 -1.1 93 91 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.931 111.6 50.1 -63.3 -41.3 41.4 22.8 -4.2 94 92 A N H X S+ 0 0 72 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.898 111.3 48.1 -60.6 -42.1 43.9 24.7 -2.0 95 93 A S H X S+ 0 0 23 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.912 111.1 50.7 -64.3 -45.4 43.8 22.0 0.7 96 94 A I H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 6,-0.4 0.924 109.9 49.1 -58.8 -47.9 44.3 19.3 -1.8 97 95 A C H X S+ 0 0 16 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.861 114.5 46.4 -62.8 -37.2 47.3 21.1 -3.3 98 96 A N H < S+ 0 0 148 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.915 115.0 45.5 -62.9 -51.2 48.8 21.6 0.2 99 97 A T H < S+ 0 0 90 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.679 128.6 23.6 -70.5 -21.7 48.2 18.0 1.3 100 98 A T H < S- 0 0 40 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.553 91.2-127.5-123.1 -18.5 49.4 16.3 -1.9 101 99 A G < + 0 0 64 -4,-1.6 -4,-0.1 -5,-0.3 -3,-0.1 0.477 55.5 147.7 77.1 3.9 51.8 18.7 -3.6 102 100 A V - 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