==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN, RNA BINDING PROTEIN 05-NOV-08 2KAF . COMPND 2 MOLECULE: NON-STRUCTURAL PROTEIN 3; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR M.A.JOHNSON,B.MOHANTY,B.PEDRINI,P.SERRANO,A.CHATTERJEE,T.HER . 67 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4687.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 49 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 31.3 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 . 4 6.0 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 . 9 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 70 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 140.3 -6.2 -13.2 1.3 2 2 A S H > + 0 0 74 2,-0.2 4,-1.0 1,-0.2 0, 0.0 0.926 360.0 40.6 -56.1 -54.7 -2.8 -12.6 -0.3 3 3 A E H >> S+ 0 0 49 2,-0.2 4,-1.4 1,-0.2 3,-1.0 0.946 115.3 52.3 -63.7 -46.1 -3.1 -8.9 -0.9 4 4 A E H 3> S+ 0 0 95 1,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.897 104.4 57.2 -56.2 -41.8 -4.9 -8.4 2.5 5 5 A H H 3X S+ 0 0 118 -4,-2.6 4,-2.6 1,-0.2 -1,-0.3 0.775 101.0 57.9 -65.6 -26.0 -2.0 -10.2 4.2 6 6 A F H S+ 0 0 2 -4,-1.9 4,-2.0 1,-0.2 5,-1.0 0.896 105.5 59.1 -65.5 -36.9 3.2 -3.8 7.0 11 11 A S H <5S+ 0 0 50 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.884 103.4 52.1 -56.3 -39.5 0.9 -2.8 9.9 12 12 A L H <5S+ 0 0 141 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.873 117.8 36.5 -70.6 -35.3 2.9 -5.0 12.3 13 13 A A H <5S- 0 0 77 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.676 98.3-138.8 -79.6 -21.6 6.2 -3.4 11.2 14 14 A G T <5S+ 0 0 35 -4,-2.0 7,-2.6 -5,-0.2 2,-0.3 0.619 80.7 40.1 64.9 14.2 4.5 0.1 10.9 15 15 A S E < -A 20 0A 47 -5,-1.0 2,-0.3 5,-0.3 5,-0.3 -0.976 69.5-138.1-174.0 166.5 6.7 0.3 7.7 16 16 A Y E > S-A 19 0A 64 3,-0.9 3,-3.1 -2,-0.3 2,-1.6 -0.932 70.7 -41.2-147.3 132.5 8.1 -1.5 4.6 17 17 A R T 3 S- 0 0 181 -2,-0.3 50,-0.1 1,-0.3 46,-0.0 -0.389 131.2 -21.7 51.2 -82.0 11.7 -1.2 3.2 18 18 A D T 3 S+ 0 0 114 -2,-1.6 -1,-0.3 48,-0.4 2,-0.1 0.230 120.3 96.0-135.1 -2.5 12.1 2.6 3.7 19 19 A W E < -A 16 0A 10 -3,-3.1 -3,-0.9 16,-0.1 2,-0.4 -0.429 65.0-128.8 -92.1 174.5 8.4 3.6 3.8 20 20 A S E -AB 15 34A 68 14,-2.7 14,-3.2 -5,-0.3 -5,-0.3 -0.951 18.9-123.1-126.3 133.0 6.0 4.2 6.8 21 21 A Y + 0 0 64 -7,-2.6 12,-0.2 -2,-0.4 11,-0.1 -0.172 30.5 172.5 -62.1 167.0 2.6 2.7 7.3 22 22 A S - 0 0 47 9,-0.4 10,-0.2 11,-0.0 -1,-0.1 -0.055 17.8-163.5-140.6-111.0 -0.5 5.0 7.8 23 23 A G + 0 0 28 8,-1.7 2,-0.9 1,-0.3 9,-0.1 0.441 34.4 143.9 126.2 9.2 -4.1 3.8 7.9 24 24 A Q - 0 0 116 7,-0.2 7,-2.6 8,-0.1 -1,-0.3 -0.688 42.0-145.3 -78.0 103.4 -6.1 7.0 7.4 25 25 A R E +C 30 0A 182 -2,-0.9 5,-0.3 5,-0.3 2,-0.2 -0.525 29.8 164.7 -60.8 138.9 -9.1 6.1 5.3 26 26 A T E > -C 29 0A 58 3,-2.7 3,-1.1 -2,-0.2 -1,-0.0 -0.746 56.7 -78.9-135.8-170.8 -10.1 8.9 2.9 27 27 A E T 3 S+ 0 0 193 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.828 127.1 55.5 -54.9 -33.4 -12.3 9.1 -0.2 28 28 A L T 3 S- 0 0 119 1,-0.1 2,-0.4 15,-0.0 -1,-0.2 0.193 124.6 -81.0-101.9 15.7 -9.5 7.4 -2.3 29 29 A G E < S-C 26 0A 14 -3,-1.1 -3,-2.7 12,-0.1 2,-0.4 -0.965 73.2 -45.4 128.4-143.4 -9.0 4.2 -0.3 30 30 A V E -CD 25 42A 9 12,-2.2 12,-1.7 -2,-0.4 -5,-0.3 -0.991 60.6-106.0-122.8 139.2 -6.9 4.0 2.9 31 31 A E E + D 0 41A 41 -7,-2.6 -8,-1.7 -2,-0.4 -9,-0.4 -0.498 48.5 172.0 -60.8 121.9 -3.5 5.7 3.1 32 32 A F E + 0 0 0 8,-3.3 2,-0.5 1,-0.3 9,-0.1 0.655 49.5 3.3 -98.5-113.0 -0.9 2.8 3.0 33 33 A L E - 0 0 0 -12,-0.2 7,-3.1 -11,-0.1 2,-0.4 -0.773 63.1-165.6 -84.9 122.8 2.8 3.2 2.7 34 34 A K E +BD 20 39A 76 -14,-3.2 -14,-2.7 -2,-0.5 2,-0.3 -0.920 15.3 165.0-104.9 135.9 4.1 6.8 2.8 35 35 A R E > - D 0 38A 93 3,-2.5 3,-2.8 -2,-0.4 -16,-0.1 -0.903 67.4 -50.2-148.9 123.7 7.7 7.6 1.7 36 36 A G T 3 S- 0 0 70 -2,-0.3 -1,-0.1 1,-0.3 -17,-0.0 -0.305 125.5 -18.4 44.9-119.7 8.6 11.2 1.0 37 37 A D T 3 S+ 0 0 139 -3,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.380 115.0 104.6 -86.6 -6.7 5.9 12.4 -1.4 38 38 A K E < -D 35 0A 71 -3,-2.8 -3,-2.5 14,-0.1 2,-0.5 -0.749 46.2-177.7 -90.6 121.7 4.8 8.9 -2.4 39 39 A I E -D 34 0A 43 -2,-0.5 14,-0.9 -5,-0.2 2,-0.3 -0.968 9.4-160.2-120.8 108.8 1.5 7.8 -0.9 40 40 A V E - E 0 52A 0 -7,-3.1 -8,-3.3 -2,-0.5 2,-0.3 -0.679 11.1-161.9 -78.8 144.2 0.4 4.2 -1.7 41 41 A Y E -DE 31 51A 49 10,-2.3 10,-2.3 -2,-0.3 2,-0.3 -0.805 4.8-161.8-113.2 162.4 -3.3 3.6 -1.1 42 42 A H E -DE 30 50A 18 -12,-1.7 -12,-2.2 -2,-0.3 8,-0.2 -0.976 23.3-112.7-136.8 154.5 -5.1 0.3 -0.8 43 43 A T - 0 0 29 6,-1.0 -14,-0.0 -2,-0.3 -15,-0.0 -0.516 15.8-134.4 -78.0 150.8 -8.8 -0.5 -1.1 44 44 A L S S+ 0 0 124 -2,-0.2 -1,-0.1 2,-0.1 2,-0.1 0.911 89.1 51.7 -66.2 -44.0 -10.8 -1.6 1.9 45 45 A E S S- 0 0 162 2,-0.1 4,-0.4 1,-0.1 -2,-0.2 -0.386 95.8 -47.0 -98.1 172.3 -12.4 -4.5 -0.0 46 46 A S S S+ 0 0 86 2,-0.2 2,-0.2 -2,-0.1 -1,-0.1 -0.614 110.8 36.7-100.6 155.1 -10.9 -7.3 -2.2 47 47 A P S S- 0 0 88 0, 0.0 2,-1.0 0, 0.0 -2,-0.1 0.624 94.3-128.8 -64.6 145.9 -9.0 -7.8 -4.3 48 48 A V - 0 0 9 -2,-0.2 2,-0.8 -4,-0.1 -2,-0.2 -0.617 19.9-154.1 -75.3 105.1 -7.0 -5.2 -2.6 49 49 A E - 0 0 98 -2,-1.0 -6,-1.0 -4,-0.4 2,-0.4 -0.748 7.3-156.4 -79.8 110.2 -6.1 -2.8 -5.3 50 50 A F E -E 42 0A 2 -2,-0.8 7,-2.9 7,-0.5 2,-0.3 -0.761 15.0-172.3 -79.8 140.6 -3.0 -1.1 -4.2 51 51 A H E -EF 41 56A 42 -10,-2.3 -10,-2.3 -2,-0.4 2,-0.3 -0.934 14.7-167.5-128.1 159.5 -2.5 2.3 -5.9 52 52 A L E > S-EF 40 55A 19 3,-2.2 3,-2.6 -2,-0.3 2,-1.3 -0.901 73.7 -29.4-146.3 123.3 0.3 4.9 -6.0 53 53 A D T 3 S- 0 0 147 -14,-0.9 3,-0.1 -2,-0.3 -13,-0.1 -0.022 130.5 -41.8 68.2 -22.6 0.0 8.5 -7.3 54 54 A G T 3 S+ 0 0 70 -2,-1.3 2,-0.7 1,-0.3 -1,-0.3 0.175 113.9 111.9 149.6 -7.8 -2.7 7.2 -9.7 55 55 A E E < -F 52 0A 146 -3,-2.6 -3,-2.2 0, 0.0 2,-0.4 -0.818 60.7-143.0 -88.0 112.2 -1.2 3.9 -10.9 56 56 A V E -F 51 0A 83 -2,-0.7 -5,-0.3 -5,-0.3 2,-0.2 -0.675 29.8-163.0 -63.0 127.5 -3.2 0.9 -9.7 57 57 A L - 0 0 15 -7,-2.9 -7,-0.5 -2,-0.4 2,-0.3 -0.447 13.9-119.7-104.3 179.9 -0.4 -1.6 -9.0 58 58 A S > - 0 0 78 -2,-0.2 4,-3.1 -9,-0.1 5,-0.1 -0.803 30.4-107.5-120.5 166.3 -0.4 -5.4 -8.5 59 59 A L H > S+ 0 0 37 -2,-0.3 4,-1.5 1,-0.2 -1,-0.1 0.877 117.7 43.9 -66.1 -42.9 0.8 -7.2 -5.3 60 60 A D H > S+ 0 0 134 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.892 116.7 47.9 -70.9 -39.1 4.1 -8.6 -6.8 61 61 A K H > S+ 0 0 142 2,-0.2 4,-2.3 1,-0.2 3,-0.4 0.955 104.0 61.9 -60.2 -54.9 4.9 -5.3 -8.5 62 62 A L H X S+ 0 0 1 -4,-3.1 4,-2.2 1,-0.3 3,-0.2 0.865 102.7 48.8 -45.3 -53.6 4.2 -3.3 -5.3 63 63 A K H X S+ 0 0 82 -4,-1.5 4,-0.8 1,-0.3 -1,-0.3 0.913 113.4 47.2 -53.7 -47.8 6.9 -5.0 -3.4 64 64 A S H < S+ 0 0 92 -4,-1.2 3,-0.4 -3,-0.4 -1,-0.3 0.858 113.8 48.6 -60.2 -39.7 9.4 -4.3 -6.2 65 65 A L H < S+ 0 0 88 -4,-2.3 -1,-0.2 -3,-0.2 -2,-0.2 0.747 102.0 62.1 -72.6 -30.5 8.2 -0.7 -6.5 66 66 A L H < 0 0 0 -4,-2.2 -48,-0.4 -5,-0.3 -1,-0.2 0.670 360.0 360.0 -73.6 -18.7 8.5 -0.1 -2.7 67 67 A S < 0 0 83 -4,-0.8 -2,-0.2 -3,-0.4 -1,-0.1 0.986 360.0 360.0 -63.1 360.0 12.3 -0.8 -3.1