==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 08-APR-08 2VRI . COMPND 2 MOLECULE: NON-STRUCTURAL PROTEIN 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN CORONAVIRUS NL63; . AUTHOR Y.PIOTROWSKI,J.R.MESTERS,R.MOLL,R.HILGENFELD . 173 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8884.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 2 1.2 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 . 1 0.6 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 . 18 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 0 0 0 2 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 0 0 PARALLEL BRIDGES PER LADDER . 0 1 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 -9 A K 0 0 174 0, 0.0 31,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 141.1 5.0 31.5 8.3 2 -8 A A - 0 0 44 29,-0.3 8,-0.3 1,-0.2 3,-0.1 -0.441 360.0-152.1 -62.4 135.9 8.5 32.7 8.9 3 -7 A G S S- 0 0 63 6,-3.2 2,-0.3 1,-0.4 7,-0.2 0.895 80.4 -55.6 -66.0 -48.6 9.1 34.4 12.3 4 -6 A S E > -A 9 0A 70 5,-0.9 5,-1.9 28,-0.2 -1,-0.4 -0.830 62.6-125.3-163.4-150.2 11.8 36.2 10.2 5 -5 A A E 5 +A 8 0A 53 3,-0.3 2,-0.3 -2,-0.3 28,-0.0 -0.412 43.9 158.1-179.1 86.0 14.7 35.1 8.1 6 -4 A A T 5S- 0 0 107 1,-1.0 -1,-0.0 -2,-0.1 0, 0.0 -0.385 128.4 -11.2 -88.0 54.0 18.5 35.6 7.7 7 -3 A A T 5S- 0 0 57 -2,-0.3 -1,-1.0 2,-0.0 27,-0.2 0.133 122.0 -79.9 98.2 122.4 17.5 32.3 6.1 8 -2 A P E 5 +A 5 0A 44 0, 0.0 26,-0.5 0, 0.0 2,-0.3 -0.100 54.0 173.5 -61.9 151.7 13.8 31.6 7.2 9 -1 A F E < +A 4 0A 110 -5,-1.9 -6,-3.2 24,-0.2 -5,-0.9 -0.981 8.1 177.3-150.6 155.2 12.8 30.2 10.6 10 0 A T - 0 0 32 -2,-0.3 -8,-0.1 -8,-0.3 22,-0.0 -0.932 45.6 -78.2-148.0 166.1 9.7 29.5 12.5 11 1 A K - 0 0 189 -2,-0.3 2,-0.1 2,-0.0 -2,-0.0 -0.578 41.7-145.1 -73.2 119.9 8.8 27.9 15.8 12 2 A P - 0 0 42 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.461 12.4-134.2 -68.5 154.4 9.0 24.1 15.6 13 3 A F S S+ 0 0 46 8,-2.8 2,-0.3 1,-0.3 9,-0.2 0.644 88.6 7.0 -82.9 -14.7 6.4 22.4 17.9 14 4 A A E -B 21 0B 13 7,-1.0 7,-2.9 2,-0.0 2,-0.4 -0.966 62.4-165.3-161.3 149.4 9.2 20.1 19.1 15 5 A V E -B 20 0B 77 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.996 3.9-177.7-135.3 137.4 13.0 19.7 18.8 16 6 A Y E > -B 19 0B 70 3,-2.6 3,-3.1 -2,-0.4 -2,-0.0 -0.936 64.1 -62.5-136.0 116.3 15.0 16.7 19.7 17 7 A K T 3 S- 0 0 173 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.240 126.0 -4.7 45.0-111.0 18.8 17.2 19.2 18 8 A N T 3 S+ 0 0 58 131,-0.2 135,-2.0 -3,-0.1 2,-0.6 0.604 117.6 90.3 -81.6 -12.8 19.1 17.8 15.4 19 9 A V E < -Bc 16 153B 2 -3,-3.1 -3,-2.6 133,-0.2 2,-0.4 -0.766 50.7-173.6-101.5 120.2 15.5 17.2 14.5 20 10 A K E -Bc 15 154B 84 133,-2.7 135,-3.3 -2,-0.6 2,-0.4 -0.919 12.2-151.9-107.5 138.4 12.9 20.1 14.4 21 11 A F E -Bc 14 155B 0 -7,-2.9 -8,-2.8 -2,-0.4 -7,-1.0 -0.917 11.1-171.8-117.0 138.7 9.2 19.3 13.8 22 12 A Y E - c 0 156B 7 133,-2.6 135,-2.3 -2,-0.4 2,-0.6 -0.941 22.0-139.2-129.3 145.2 6.6 21.6 12.3 23 13 A L E + c 0 157B 75 -2,-0.4 2,-0.3 133,-0.2 135,-0.2 -0.928 61.5 95.4-100.1 115.1 2.9 21.4 11.8 24 14 A G S S- 0 0 15 133,-2.5 2,-0.2 -2,-0.6 -2,-0.1 -0.910 74.6 -83.3 169.5 156.4 2.2 22.7 8.3 25 15 A D >> - 0 0 77 -2,-0.3 4,-3.1 1,-0.1 3,-0.8 -0.570 37.3-129.3 -75.1 140.8 1.6 22.2 4.6 26 16 A I H 3> S+ 0 0 0 1,-0.2 4,-1.9 -2,-0.2 5,-0.1 0.828 109.5 62.3 -61.6 -29.4 4.8 21.7 2.6 27 17 A S H 34 S+ 0 0 47 1,-0.2 -1,-0.2 2,-0.2 4,-0.0 0.807 114.5 33.7 -66.3 -30.6 3.5 24.5 0.2 28 18 A H H X4 S+ 0 0 70 -3,-0.8 3,-2.4 2,-0.1 4,-0.3 0.887 113.6 57.6 -84.9 -49.8 3.6 26.8 3.2 29 19 A L H >X S+ 0 0 5 -4,-3.1 4,-1.6 1,-0.3 3,-1.4 0.739 88.5 72.9 -62.5 -24.6 6.6 25.5 5.0 30 20 A V T 3< S+ 0 0 12 -4,-1.9 -1,-0.3 1,-0.3 5,-0.1 0.701 105.6 42.2 -61.7 -14.5 9.0 25.9 2.1 31 21 A N T <4 S+ 0 0 110 -3,-2.4 -29,-0.3 -5,-0.1 -1,-0.3 0.474 113.3 54.5-103.0 -2.1 8.6 29.6 3.0 32 22 A C T <4 S+ 0 0 0 -3,-1.4 -29,-0.3 -4,-0.3 2,-0.3 0.691 105.5 37.0-101.4 -29.6 8.9 29.1 6.8 33 23 A V S < S- 0 0 2 -4,-1.6 2,-0.4 -24,-0.2 -24,-0.2 -0.849 76.6-106.7-131.4 163.6 12.1 27.2 7.3 34 24 A S + 0 0 40 -26,-0.5 2,-0.3 -2,-0.3 -3,-0.1 -0.793 49.7 146.0 -93.3 134.0 15.6 26.9 6.1 35 25 A F - 0 0 42 -2,-0.4 3,-0.1 -5,-0.1 86,-0.0 -0.977 45.6-144.6-163.2 154.4 16.5 23.8 4.0 36 26 A D S S+ 0 0 94 86,-3.1 56,-0.4 1,-0.3 2,-0.3 0.731 86.7 5.7 -97.1 -30.2 18.6 22.7 1.1 37 27 A F E -d 123 0B 3 85,-1.7 87,-2.0 54,-0.1 2,-0.4 -0.984 66.8-125.8-149.6 157.5 16.2 20.2 -0.4 38 28 A V E -de 124 93B 2 54,-2.3 56,-2.9 -2,-0.3 2,-0.5 -0.839 23.7-134.0-102.6 144.2 12.7 19.0 0.0 39 29 A V E - e 0 94B 0 85,-3.0 2,-0.5 -2,-0.4 56,-0.2 -0.877 12.1-157.3-100.9 128.2 12.0 15.3 0.5 40 30 A N E - e 0 95B 0 54,-2.7 56,-2.6 -2,-0.5 2,-1.4 -0.915 15.7-139.0 -99.5 124.2 9.2 13.8 -1.5 41 31 A A E - e 0 96B 35 -2,-0.5 12,-0.4 54,-0.2 56,-0.2 -0.715 45.6-177.9 -79.0 93.4 7.7 10.6 0.0 42 32 A A E - e 0 97B 4 54,-2.0 56,-0.5 -2,-1.4 2,-0.2 -0.342 29.5-122.0 -97.0 168.7 7.5 9.0 -3.4 43 33 A N > - 0 0 49 4,-0.2 3,-1.7 54,-0.1 35,-0.2 -0.657 40.1-100.1 -99.8 169.3 6.3 5.8 -4.9 44 34 A E T 3 S+ 0 0 31 1,-0.3 34,-2.1 -2,-0.2 53,-0.1 0.824 122.3 49.4 -60.7 -34.1 8.6 3.5 -6.9 45 35 A N T 3 S- 0 0 82 32,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.463 105.8-125.9 -86.9 -1.4 7.3 4.7 -10.2 46 36 A L < + 0 0 0 -3,-1.7 2,-0.7 1,-0.2 -2,-0.1 0.908 51.5 158.7 55.7 44.6 7.6 8.4 -9.3 47 37 A L - 0 0 103 1,-0.1 2,-0.4 21,-0.1 3,-0.3 -0.903 22.0-169.1 -97.8 109.6 4.0 9.1 -10.1 48 38 A H + 0 0 2 -2,-0.7 9,-0.2 1,-0.2 17,-0.1 -0.271 40.8 126.6-102.8 47.0 3.3 12.2 -8.2 49 39 A G + 0 0 64 -2,-0.4 2,-0.3 8,-0.1 -1,-0.2 0.661 70.0 21.8 -79.9 -17.0 -0.4 12.4 -8.6 50 40 A G S >> S+ 0 0 46 -3,-0.3 4,-1.1 4,-0.0 3,-0.6 -0.877 97.6 12.5-145.1 168.7 -1.3 12.7 -4.9 51 41 A G H 3> S- 0 0 64 -2,-0.3 4,-1.9 1,-0.2 3,-0.4 -0.146 116.6 -21.3 65.8-151.8 -0.1 13.7 -1.4 52 42 A V H 3> S+ 0 0 20 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.812 135.0 64.0 -62.9 -33.6 3.1 15.5 -0.7 53 43 A A H <> S+ 0 0 6 -3,-0.6 4,-2.8 -12,-0.4 -1,-0.2 0.904 104.8 43.7 -54.9 -46.7 4.3 14.4 -4.1 54 44 A R H X S+ 0 0 142 -4,-1.1 4,-3.1 -3,-0.4 5,-0.2 0.893 111.4 54.4 -67.5 -41.5 1.6 16.4 -5.9 55 45 A A H X S+ 0 0 19 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.947 113.5 42.5 -55.0 -49.7 2.2 19.4 -3.6 56 46 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 8,-0.2 0.930 112.2 52.7 -66.5 -44.3 5.9 19.3 -4.6 57 47 A D H <>S+ 0 0 25 -4,-2.8 5,-2.5 -5,-0.2 6,-0.4 0.959 111.5 47.3 -54.7 -47.2 5.2 18.7 -8.2 58 48 A I H ><5S+ 0 0 88 -4,-3.1 3,-2.1 1,-0.2 -2,-0.2 0.936 108.9 54.2 -61.3 -44.0 2.9 21.7 -8.2 59 49 A L H 3<5S+ 0 0 48 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.868 111.7 45.1 -52.3 -39.8 5.5 23.8 -6.4 60 50 A T T ><5S- 0 0 1 -4,-2.3 3,-2.0 -3,-0.2 -1,-0.3 0.258 114.9-120.6 -89.7 10.1 7.9 22.9 -9.2 61 51 A E T < 5S- 0 0 144 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.1 0.858 74.6 -46.7 55.4 40.0 5.3 23.6 -11.8 62 52 A G T 3> S+ 0 0 39 -3,-2.0 4,-3.0 -6,-0.4 5,-0.3 0.900 72.0 56.7 -65.0 -38.5 9.1 19.9 -13.4 64 54 A L H > S+ 0 0 0 -7,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.950 110.1 43.9 -57.4 -50.0 9.3 17.2 -10.8 65 55 A Q H > S+ 0 0 33 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.856 114.6 49.4 -64.4 -35.0 7.0 14.9 -12.8 66 56 A S H X S+ 0 0 63 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.941 113.2 45.6 -74.4 -40.5 8.8 15.6 -16.1 67 57 A L H X S+ 0 0 54 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.878 112.2 53.9 -64.5 -35.7 12.2 15.0 -14.5 68 58 A S H X S+ 0 0 1 -4,-2.4 4,-2.9 -5,-0.3 -2,-0.2 0.897 104.4 52.8 -64.9 -44.1 10.7 11.8 -12.9 69 59 A K H X S+ 0 0 141 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.932 112.1 47.1 -56.1 -44.6 9.5 10.5 -16.3 70 60 A D H X S+ 0 0 103 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.932 111.8 50.1 -61.6 -47.0 13.0 10.9 -17.7 71 61 A Y H X>S+ 0 0 53 -4,-2.5 4,-3.2 1,-0.2 5,-0.5 0.932 112.9 46.2 -58.9 -47.8 14.6 9.3 -14.7 72 62 A I H X5S+ 0 0 43 -4,-2.9 4,-2.2 3,-0.2 -1,-0.2 0.928 109.2 54.2 -61.6 -44.3 12.2 6.3 -14.9 73 63 A S H <5S+ 0 0 108 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.896 121.0 32.6 -57.3 -40.3 12.8 5.9 -18.7 74 64 A S H <5S+ 0 0 100 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.835 136.2 18.2 -83.1 -36.0 16.5 5.7 -18.1 75 65 A N H <5S- 0 0 100 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.547 92.6-130.0-119.7 -17.2 16.8 4.0 -14.7 76 66 A G << - 0 0 20 -4,-2.2 -1,-0.1 -5,-0.5 -2,-0.1 -0.098 52.6 -25.7 84.5 170.8 13.6 2.2 -13.8 77 67 A P S S- 0 0 77 0, 0.0 -32,-0.2 0, 0.0 2,-0.2 -0.173 72.1-104.6 -58.0 145.9 11.5 2.4 -10.6 78 68 A L - 0 0 8 -34,-2.1 2,-0.2 -35,-0.2 -32,-0.1 -0.544 34.9-115.7 -66.9 139.6 13.2 3.3 -7.4 79 69 A K > - 0 0 170 -2,-0.2 3,-2.3 1,-0.1 18,-0.4 -0.499 40.1 -94.8 -68.8 141.2 13.8 0.4 -5.1 80 70 A V T 3 S+ 0 0 31 1,-0.3 18,-0.2 -2,-0.2 -1,-0.1 -0.435 118.6 30.6 -53.9 130.1 11.9 0.7 -1.8 81 71 A G T 3 S+ 0 0 7 16,-3.3 34,-0.3 1,-0.4 -1,-0.3 0.227 103.7 101.0 99.6 -14.2 14.5 2.3 0.6 82 72 A A < - 0 0 32 -3,-2.3 15,-2.4 15,-0.1 -1,-0.4 -0.646 49.6-166.1-105.5 162.2 16.2 4.2 -2.2 83 73 A G E -F 96 0B 24 13,-0.2 2,-0.4 -2,-0.2 13,-0.3 -0.956 7.9-156.7-140.7 161.1 16.0 7.9 -3.2 84 74 A V E -F 95 0B 24 11,-2.1 11,-2.7 -2,-0.3 2,-0.5 -0.992 18.4-132.4-140.4 132.3 17.0 10.0 -6.1 85 75 A M E -F 94 0B 38 -2,-0.4 2,-0.5 9,-0.3 9,-0.3 -0.724 19.8-168.7 -80.6 128.3 17.6 13.8 -6.1 86 76 A L E -F 93 0B 18 7,-3.1 7,-2.6 -2,-0.5 2,-0.8 -0.979 14.4-144.0-120.6 117.5 15.9 15.6 -9.0 87 77 A E E -F 92 0B 142 -2,-0.5 5,-0.2 5,-0.2 2,-0.1 -0.735 23.0-177.3 -92.3 111.4 17.0 19.2 -9.4 88 78 A C - 0 0 16 3,-2.6 -28,-0.0 -2,-0.8 -1,-0.0 -0.368 42.6 -91.1 -97.1-177.2 14.2 21.4 -10.4 89 79 A E S S+ 0 0 138 -29,-0.2 3,-0.1 1,-0.2 -29,-0.1 0.920 119.6 12.0 -64.4 -45.7 14.3 25.0 -11.2 90 80 A K S S+ 0 0 146 1,-0.2 2,-0.3 -31,-0.1 -1,-0.2 0.509 130.0 36.6-108.6 -12.5 13.5 26.3 -7.7 91 81 A F - 0 0 35 -31,-0.1 -3,-2.6 -5,-0.0 2,-0.5 -0.998 62.5-138.5-145.2 138.6 13.8 23.2 -5.6 92 82 A N E - F 0 87B 59 -56,-0.4 -54,-2.3 -2,-0.3 2,-0.5 -0.914 31.0-159.6 -91.4 127.7 16.0 20.2 -5.3 93 83 A V E -eF 38 86B 0 -7,-2.6 -7,-3.1 -2,-0.5 2,-0.7 -0.956 10.6-155.9-117.6 121.1 13.6 17.4 -4.6 94 84 A F E -eF 39 85B 1 -56,-2.9 -54,-2.7 -2,-0.5 2,-0.6 -0.860 13.3-156.9 -95.5 115.9 14.9 14.2 -3.0 95 85 A N E +eF 40 84B 0 -11,-2.7 -11,-2.1 -2,-0.7 2,-0.4 -0.843 17.3 177.2 -99.2 118.5 12.4 11.5 -3.9 96 86 A V E -eF 41 83B 0 -56,-2.6 -54,-2.0 -2,-0.6 2,-0.7 -0.943 24.0-137.5-129.0 141.3 12.6 8.6 -1.5 97 87 A V E -e 42 0B 0 -15,-2.4 -16,-3.3 -2,-0.4 -54,-0.1 -0.869 16.0-163.8-105.8 113.1 10.5 5.5 -1.3 98 88 A G - 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