==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RNA-BINDING PROTEIN 03-NOV-06 2J97 . COMPND 2 MOLECULE: REPLICASE POLYPROTEIN 1AB; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN CORONAVIRUS 229E; . AUTHOR R.PONNUSAMY,J.R.MESTERS,R.MOLL,R.HILGENFELD . 98 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6307.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 71 72.4 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 . 40 40.8 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 2.0 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 . 11 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 15.3 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+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 0 0 0 0 0 0 0 1 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 0 0 3 2 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 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 8 A K 0 0 226 0, 0.0 24,-0.4 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 137.3 97.6 12.2 108.9 2 9 A M - 0 0 30 22,-0.1 2,-0.3 85,-0.1 22,-0.2 -0.364 360.0-169.9 -69.6 139.6 100.3 14.8 108.2 3 10 A K E -A 23 0A 115 20,-3.0 20,-2.5 -2,-0.1 2,-0.4 -0.823 12.8-137.3-125.8 163.7 99.8 18.4 109.2 4 11 A V E +A 22 0A 54 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.970 18.4 178.7-124.8 142.2 101.6 21.6 108.4 5 12 A K E -A 21 0A 70 16,-2.1 16,-3.1 -2,-0.4 2,-0.1 -0.991 35.4-110.4-144.2 130.3 102.4 24.5 110.8 6 13 A A E +A 20 0A 73 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.399 47.2 175.8 -62.5 135.7 104.3 27.7 110.2 7 14 A T E -A 19 0A 7 12,-2.6 12,-1.8 -2,-0.1 2,-0.4 -0.988 28.8-121.3-148.7 144.4 107.7 27.5 111.9 8 15 A K E -AB 18 43A 107 35,-0.5 35,-1.8 -2,-0.3 2,-0.3 -0.748 26.3-168.1 -93.5 136.3 110.8 29.7 112.2 9 16 A G E -AB 17 42A 2 8,-2.4 8,-2.1 -2,-0.4 2,-0.3 -0.778 1.0-166.2-116.1 164.3 114.3 28.3 111.2 10 17 A E E +AB 16 41A 51 31,-2.3 30,-2.8 6,-0.3 31,-1.8 -0.994 9.6 167.3-151.4 147.8 117.8 29.7 111.8 11 18 A G E > - B 0 39A 7 4,-2.4 3,-1.5 -2,-0.3 4,-0.3 -0.660 48.1 -21.5-138.6-159.5 121.3 29.1 110.5 12 19 A D G > S+ 0 0 122 26,-0.7 3,-1.0 1,-0.2 -1,-0.2 -0.151 123.4 18.9 -54.3 140.3 124.8 30.5 110.5 13 20 A G G 3 S- 0 0 85 1,-0.2 -1,-0.2 -3,-0.1 0, 0.0 0.575 126.2 -77.1 76.6 9.2 125.2 34.2 111.2 14 21 A G G < S+ 0 0 42 -3,-1.5 2,-0.3 1,-0.3 -1,-0.2 0.637 80.0 160.0 75.4 16.2 121.7 34.3 112.7 15 22 A I < - 0 0 95 -3,-1.0 -4,-2.4 -4,-0.3 -1,-0.3 -0.561 22.7-160.2 -71.4 128.3 119.9 34.2 109.4 16 23 A T E -A 10 0A 55 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.3 -0.669 9.3-162.4-108.7 165.5 116.3 33.1 110.0 17 24 A S E -A 9 0A 3 -8,-2.1 -8,-2.4 -2,-0.2 2,-0.4 -0.960 13.7-140.0-139.5 159.3 113.6 31.6 107.7 18 25 A E E +A 8 0A 121 -2,-0.3 17,-0.5 -10,-0.2 2,-0.3 -0.968 42.1 136.1-118.3 142.2 109.9 31.2 107.8 19 26 A G E -A 7 0A 12 -12,-1.8 -12,-2.6 -2,-0.4 2,-0.5 -0.906 52.3 -77.8-164.9-176.9 108.6 27.9 106.5 20 27 A N E -AC 6 33A 77 13,-2.4 13,-2.5 -2,-0.3 2,-0.4 -0.920 31.4-152.2-104.7 123.6 106.2 25.0 106.9 21 28 A A E -AC 5 32A 0 -16,-3.1 -16,-2.1 -2,-0.5 2,-0.5 -0.775 10.8-146.9 -86.0 136.4 106.9 22.2 109.4 22 29 A L E +AC 4 31A 4 9,-2.8 8,-3.1 -2,-0.4 9,-1.5 -0.914 35.5 152.6-102.3 129.3 105.3 18.9 108.5 23 30 A Y E -AC 3 29A 37 -20,-2.5 -20,-3.0 -2,-0.5 2,-0.3 -0.910 36.9-129.7-149.1 171.6 104.4 17.0 111.6 24 31 A N E C 0 28A 23 4,-1.8 4,-2.7 -2,-0.3 -22,-0.1 -0.980 360.0 360.0-131.0 145.2 102.0 14.4 113.1 25 32 A N 0 0 137 -24,-0.4 -2,-0.1 -2,-0.3 4,-0.0 -0.518 360.0 360.0 68.7 360.0 99.9 14.5 116.3 26 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 27 37 A A 0 0 43 0, 0.0 2,-0.6 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 103.4 103.3 16.6 118.0 28 38 A F E -C 24 0A 132 -4,-2.7 -4,-1.8 2,-0.0 2,-0.3 -0.863 360.0-141.6-108.3 116.9 106.4 15.1 116.2 29 39 A M E +C 23 0A 17 -2,-0.6 -6,-0.3 -6,-0.2 3,-0.1 -0.587 22.1 174.0 -79.3 136.6 108.0 17.2 113.5 30 40 A Y E - 0 0 25 -8,-3.1 47,-2.3 1,-0.4 2,-0.3 0.698 59.4 -9.2-106.9 -35.8 109.3 15.4 110.5 31 41 A A E -CD 22 76A 0 -9,-1.5 -9,-2.8 45,-0.2 2,-0.4 -0.979 50.3-135.7-163.7 168.3 110.5 18.0 108.1 32 42 A Y E -CD 21 75A 0 43,-2.2 43,-3.3 -2,-0.3 2,-0.5 -0.999 10.4-162.9-140.3 130.9 110.7 21.7 107.2 33 43 A V E +CD 20 74A 32 -13,-2.5 -13,-2.4 -2,-0.4 41,-0.2 -0.980 26.9 145.2-118.5 126.3 110.1 23.4 103.9 34 44 A T E - D 0 73A 4 39,-2.3 39,-2.4 -2,-0.5 -15,-0.1 -0.713 54.1-105.6-145.3-167.9 111.3 27.0 103.3 35 45 A T S S+ 0 0 87 -17,-0.5 36,-0.1 -2,-0.2 -16,-0.1 0.325 89.4 62.0-113.1 3.7 112.8 29.4 100.7 36 46 A K - 0 0 65 37,-0.2 3,-0.4 0, 0.0 -2,-0.1 -0.973 68.0-131.5-134.7 150.6 116.4 29.6 101.8 37 47 A P S S+ 0 0 71 0, 0.0 -2,-0.1 0, 0.0 -26,-0.1 -0.255 79.0 53.4 -79.7 172.3 119.5 27.3 102.2 38 48 A G + 0 0 34 1,-0.3 -26,-0.7 -2,-0.1 2,-0.2 0.436 62.7 146.0 87.7 -0.8 121.7 27.1 105.2 39 49 A M E +B 11 0A 7 -3,-0.4 -28,-0.3 -28,-0.2 -1,-0.3 -0.535 20.9 179.8 -76.4 140.4 119.1 26.6 108.0 40 50 A K E + 0 0 93 -30,-2.8 15,-2.7 1,-0.3 2,-0.3 0.612 58.9 2.2-111.9 -27.0 120.4 24.4 110.8 41 51 A Y E -BE 10 54A 63 -31,-1.8 -31,-2.3 13,-0.3 -1,-0.3 -0.986 56.7-136.2-155.2 163.6 117.6 24.1 113.2 42 52 A V E -BE 9 53A 0 11,-2.1 11,-2.7 -2,-0.3 2,-0.8 -0.920 21.3-126.4-121.5 154.5 114.0 25.1 114.0 43 53 A K E -BE 8 52A 93 -35,-1.8 -35,-0.5 -2,-0.3 2,-0.5 -0.891 36.5-157.4 -96.6 103.5 112.4 26.4 117.1 44 54 A W E - E 0 51A 6 7,-3.5 7,-2.9 -2,-0.8 5,-0.1 -0.800 13.1-120.3-103.5 114.3 109.5 24.0 117.5 45 55 A E + 0 0 71 -2,-0.5 2,-0.3 5,-0.2 5,-0.1 -0.170 43.0 157.8 -31.4 135.0 106.4 24.8 119.5 46 56 A H - 0 0 80 4,-0.0 2,-0.6 0, 0.0 3,-0.4 -0.918 51.5 -96.1-143.3 162.4 105.6 22.6 122.4 47 57 A D S S+ 0 0 153 -2,-0.3 -2,-0.0 1,-0.2 2,-0.0 -0.975 118.7 50.0 -86.1 111.1 103.8 22.6 125.6 48 58 A S S S- 0 0 104 -2,-0.6 -1,-0.2 3,-0.0 2,-0.2 0.098 116.5 -83.9 177.0 161.7 106.3 23.3 126.6 49 59 A G S S- 0 0 41 -3,-0.4 2,-0.1 -5,-0.1 -5,-0.0 -0.320 70.3 -26.5-116.6-101.2 108.0 25.3 125.6 50 60 A V - 0 0 103 -2,-0.2 2,-0.4 -5,-0.1 -5,-0.2 -0.358 44.7-168.2 -80.6 132.0 110.5 25.6 122.8 51 61 A V E -E 44 0A 61 -7,-2.9 -7,-3.5 -2,-0.1 2,-0.6 -0.941 18.1-136.6-112.6 137.3 112.4 22.6 121.5 52 62 A T E -E 43 0A 87 -2,-0.4 2,-0.5 -9,-0.2 -9,-0.2 -0.835 20.4-163.8 -90.8 123.6 115.3 23.0 119.1 53 63 A V E -E 42 0A 26 -11,-2.7 -11,-2.1 -2,-0.6 2,-0.2 -0.951 12.3-136.7-115.4 122.7 115.1 20.5 116.3 54 64 A E E -E 41 0A 111 -2,-0.5 24,-2.5 -13,-0.2 2,-0.4 -0.522 19.2-145.6 -81.0 143.8 118.3 20.0 114.2 55 65 A L B -G 77 0B 12 -15,-2.7 22,-0.2 22,-0.2 -24,-0.0 -0.848 8.3-126.2-110.6 145.3 118.0 19.8 110.4 56 66 A E - 0 0 56 20,-3.1 3,-0.1 -2,-0.4 20,-0.1 -0.514 52.6 -79.2 -74.3 154.3 119.8 17.8 107.8 57 67 A P - 0 0 117 0, 0.0 19,-0.3 0, 0.0 -1,-0.1 -0.271 68.3 -96.6 -53.9 140.8 121.3 19.7 104.9 58 68 A P - 0 0 46 0, 0.0 2,-0.7 0, 0.0 17,-0.2 -0.200 14.3-131.9 -78.6 157.0 118.5 20.6 102.5 59 69 A C E -F 74 0A 57 15,-2.8 15,-2.8 -3,-0.1 2,-0.4 -0.903 28.1-150.6 -93.9 109.5 117.1 19.1 99.3 60 70 A R E +F 73 0A 156 -2,-0.7 2,-0.3 13,-0.2 13,-0.2 -0.698 23.6 169.8 -82.5 136.3 116.7 22.0 96.9 61 71 A F E -F 72 0A 46 11,-2.5 11,-3.0 -2,-0.4 2,-0.3 -0.983 27.1-130.5-150.1 139.2 113.9 21.5 94.4 62 72 A V E -F 71 0A 73 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.624 18.5-172.0 -83.7 139.4 112.2 23.8 91.8 63 73 A I E -F 70 0A 16 7,-2.3 7,-2.8 -2,-0.3 2,-0.2 -0.978 27.9-114.7-122.9 148.7 108.5 24.1 91.5 64 74 A D + 0 0 130 -2,-0.4 35,-0.0 5,-0.2 3,-0.0 -0.534 39.0 175.7 -73.4 144.2 106.7 26.0 88.7 65 75 A T > - 0 0 29 -2,-0.2 3,-2.1 3,-0.1 34,-0.0 -0.949 47.7 -99.9-142.0 166.0 104.8 29.2 89.8 66 76 A P T 3 S+ 0 0 137 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.746 126.1 49.0 -59.7 -24.7 102.9 31.9 87.9 67 77 A T T 3 S- 0 0 122 1,-0.4 -3,-0.0 -3,-0.0 0, 0.0 0.369 127.6 -89.7 -92.7 3.7 106.0 34.1 88.3 68 78 A G S < S- 0 0 25 -3,-2.1 -1,-0.4 2,-0.0 -5,-0.1 -0.573 73.3 -20.3 115.6-177.6 108.4 31.4 87.0 69 79 A P - 0 0 98 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.323 60.3-164.3 -65.5 142.9 110.3 28.6 88.6 70 80 A Q E - F 0 63A 74 -7,-2.8 -7,-2.3 -9,-0.0 2,-0.5 -0.993 15.6-128.5-129.8 137.9 111.0 29.0 92.4 71 81 A I E - F 0 62A 60 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.732 24.7-172.2 -91.4 127.1 113.5 27.1 94.5 72 82 A K E - F 0 61A 40 -11,-3.0 -11,-2.5 -2,-0.5 2,-0.5 -0.780 13.5-142.1-109.3 158.1 112.2 25.4 97.7 73 83 A Y E -DF 34 60A 33 -39,-2.4 -39,-2.3 -2,-0.3 2,-0.5 -0.982 9.1-161.9-126.6 119.6 114.4 23.8 100.3 74 84 A L E -DF 33 59A 2 -15,-2.8 -15,-2.8 -2,-0.5 2,-0.5 -0.890 7.3-170.5-100.8 123.9 113.2 20.6 102.1 75 85 A Y E -D 32 0A 0 -43,-3.3 -43,-2.2 -2,-0.5 2,-0.3 -0.957 9.6-151.8-116.0 120.6 115.0 19.8 105.4 76 86 A F E -D 31 0A 29 -2,-0.5 -20,-3.1 -19,-0.3 -45,-0.2 -0.648 29.6-108.0 -84.2 148.3 114.4 16.4 107.1 77 87 A V B > -G 55 0B 10 -47,-2.3 3,-1.7 -2,-0.3 -22,-0.2 -0.442 47.0 -80.2 -72.9 152.6 114.8 16.4 110.8 78 88 A K T 3 S+ 0 0 117 -24,-2.5 -1,-0.1 1,-0.2 -24,-0.1 -0.213 112.5 5.5 -51.2 132.7 117.8 14.7 112.4 79 89 A N T 3 S+ 0 0 137 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.570 84.1 165.6 70.0 14.4 117.5 10.9 112.6 80 90 A L < - 0 0 16 -3,-1.7 -1,-0.2 -50,-0.1 2,-0.1 -0.339 32.6-126.1 -63.2 140.9 114.2 10.7 110.7 81 91 A N > - 0 0 68 1,-0.1 4,-2.7 4,-0.0 5,-0.2 -0.360 19.4-107.4 -87.9 170.6 113.4 7.1 109.7 82 92 A N H > S+ 0 0 135 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.823 115.8 60.1 -69.4 -30.7 112.6 6.0 106.1 83 93 A L H > S+ 0 0 139 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.951 113.7 37.5 -59.8 -45.4 108.9 5.5 106.8 84 94 A R H > S+ 0 0 99 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.861 112.7 56.1 -78.3 -39.5 108.6 9.1 107.8 85 95 A R H X S+ 0 0 50 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.927 110.5 47.4 -52.8 -44.2 111.0 10.4 105.1 86 96 A G H X S+ 0 0 41 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.890 109.4 52.2 -66.9 -38.7 108.8 8.6 102.5 87 97 A A H X S+ 0 0 46 -4,-1.7 4,-2.3 -5,-0.2 -1,-0.2 0.887 109.9 50.2 -62.6 -40.8 105.6 10.1 104.0 88 98 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.936 110.7 47.8 -63.4 -49.6 107.1 13.6 103.8 89 99 A L H X S+ 0 0 95 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.890 112.7 49.4 -58.2 -42.7 108.1 13.1 100.1 90 100 A G H X S+ 0 0 47 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.901 110.7 50.1 -61.7 -43.2 104.6 11.8 99.3 91 101 A Y H X S+ 0 0 84 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.926 112.9 45.9 -63.4 -44.9 102.9 14.7 101.1 92 102 A I H X S+ 0 0 23 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.925 111.8 52.0 -65.0 -41.6 105.0 17.2 99.2 93 103 A G H X S+ 0 0 39 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.924 108.8 51.2 -56.9 -44.1 104.4 15.4 96.0 94 104 A A H < S+ 0 0 51 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.830 114.9 42.5 -64.6 -35.5 100.6 15.6 96.7 95 105 A T H >X S+ 0 0 56 -4,-1.8 3,-1.2 2,-0.1 4,-0.5 0.915 113.0 51.2 -76.0 -48.3 100.8 19.3 97.3 96 106 A V H >< S+ 0 0 53 -4,-3.1 3,-1.5 1,-0.2 -2,-0.2 0.907 101.3 61.2 -59.5 -40.4 103.1 20.2 94.4 97 107 A R T 3< S+ 0 0 193 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.1 0.736 101.7 55.4 -61.8 -20.2 101.0 18.3 91.8 98 108 A L T <4 0 0 133 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.624 360.0 360.0 -86.5 -14.5 98.0 20.7 92.5 99 109 A Q << 0 0 153 -3,-1.5 -35,-0.1 -4,-0.5 -34,-0.1 -0.339 360.0 360.0-115.1 360.0 99.7 24.0 91.9