==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 28-MAY-02 1LVM . COMPND 2 MOLECULE: CATALYTIC DOMAIN OF THE NUCLEAR INCLUSION . SOURCE 2 ORGANISM_SCIENTIFIC: TOBACCO ETCH VIRUS; . AUTHOR J.PHAN,A.ZDANOV,A.G.EVDOKIMOV,J.E.TROPEA,H.K.PETERS III, . 467 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19667.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 307 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 167 35.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.7 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 . 8 1.7 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 . 47 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 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 RESIDUES PER ALPHA HELIX . 4 3 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 . 2 2 12 10 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 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 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 G 0 0 62 0, 0.0 2,-0.6 0, 0.0 334,-0.1 0.000 360.0 360.0 360.0 -11.4 15.3 64.2 0.8 2 -7 A H - 0 0 118 332,-0.1 2,-0.7 2,-0.0 356,-0.4 -0.851 360.0-159.9-107.1 124.6 19.0 63.8 0.1 3 -6 A H - 0 0 42 -2,-0.6 2,-0.1 356,-0.1 356,-0.1 -0.903 27.4-132.4 -96.1 116.6 20.7 60.5 0.2 4 -5 A H + 0 0 10 -2,-0.7 2,-0.3 399,-0.1 8,-0.0 -0.380 32.2 167.2 -71.1 151.9 24.4 61.1 0.7 5 -4 A H + 0 0 112 -2,-0.1 399,-0.0 1,-0.1 -2,-0.0 -0.975 53.8 25.1-156.3 162.6 27.2 59.5 -1.4 6 -3 A H S S+ 0 0 195 -2,-0.3 -1,-0.1 1,-0.1 2,-0.0 0.797 92.0 160.2 48.0 36.4 31.0 59.7 -2.2 7 -2 A H - 0 0 59 396,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.136 47.0-133.9 -87.5 173.5 31.3 61.4 1.3 8 -1 A H > - 0 0 144 395,-0.1 3,-2.0 1,-0.1 4,-0.3 -0.905 33.6-116.9-119.4 148.2 33.9 62.1 4.0 9 1 A G G > S+ 0 0 31 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.878 117.0 59.4 -56.9 -35.8 33.0 61.3 7.6 10 2 A E G 3 S+ 0 0 87 1,-0.3 -1,-0.3 -3,-0.0 363,-0.1 0.623 89.7 72.1 -68.7 -11.3 33.3 65.0 8.3 11 3 A S G < S+ 0 0 58 -3,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.556 76.8 107.2 -82.5 -5.4 30.6 65.8 5.7 12 4 A L S < S- 0 0 10 -3,-1.5 360,-0.2 -4,-0.3 3,-0.1 -0.270 83.7 -90.0 -71.8 160.2 27.9 64.5 8.0 13 5 A F B -a 372 0A 41 358,-2.4 360,-3.2 1,-0.1 -1,-0.1 -0.355 57.1 -87.2 -67.1 148.9 25.4 66.6 9.8 14 6 A K - 0 0 86 358,-0.2 341,-2.3 1,-0.1 -1,-0.1 -0.262 45.3-124.6 -59.8 143.9 26.4 67.8 13.3 15 7 A G - 0 0 18 339,-0.2 340,-0.2 1,-0.2 338,-0.1 0.048 54.7 -37.1 -75.4-171.1 25.6 65.5 16.1 16 8 A P - 0 0 24 0, 0.0 2,-0.4 0, 0.0 338,-0.3 -0.156 57.6-166.5 -56.3 136.8 23.7 66.2 19.3 17 9 A R B -B 353 0B 70 336,-1.6 336,-2.2 -3,-0.1 2,-0.8 -0.950 22.8-124.1-123.1 146.0 24.2 69.7 20.7 18 10 A D + 0 0 43 -2,-0.4 334,-0.2 334,-0.2 4,-0.2 -0.815 30.3 173.7 -92.7 112.6 23.1 70.8 24.2 19 11 A Y >> + 0 0 11 -2,-0.8 4,-2.9 332,-0.5 3,-0.6 0.373 55.4 96.6 -97.7 1.6 20.9 73.8 23.8 20 12 A N H 3> S+ 0 0 7 331,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.842 74.9 60.6 -62.8 -31.3 19.9 74.0 27.4 21 13 A P H 34 S+ 0 0 76 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.850 113.0 39.5 -65.0 -31.5 22.6 76.6 28.2 22 14 A I H X4 S+ 0 0 17 -3,-0.6 3,-1.9 -4,-0.2 4,-0.5 0.930 116.6 47.6 -78.4 -49.1 20.8 78.9 25.8 23 15 A S H >< S+ 0 0 0 -4,-2.9 3,-1.3 1,-0.3 -3,-0.2 0.846 102.7 64.2 -64.7 -26.1 17.2 78.0 26.7 24 16 A S T 3< S+ 0 0 32 -4,-2.7 44,-0.4 1,-0.3 -1,-0.3 0.676 102.7 50.5 -70.8 -12.3 18.0 78.4 30.4 25 17 A T T < S+ 0 0 2 -3,-1.9 19,-2.7 -4,-0.2 -1,-0.3 0.505 85.4 109.9-100.5 -4.4 18.6 82.1 29.7 26 18 A I E < -D 43 0C 0 -3,-1.3 2,-0.4 -4,-0.5 17,-0.2 -0.483 48.2-168.0 -76.1 136.9 15.4 82.8 27.8 27 19 A C E -D 42 0C 0 15,-2.4 15,-2.5 -2,-0.2 2,-0.5 -0.952 19.8-130.9-121.5 151.8 12.8 84.9 29.5 28 20 A H E -DE 41 66C 41 38,-2.4 38,-3.0 -2,-0.4 2,-0.4 -0.892 28.2-160.3-101.7 130.2 9.2 85.6 28.6 29 21 A L E -DE 40 65C 0 11,-3.6 11,-2.1 -2,-0.5 2,-0.5 -0.917 13.7-174.4-118.5 131.8 8.4 89.3 28.7 30 22 A T E -DE 39 64C 24 34,-2.1 34,-2.5 -2,-0.4 2,-0.8 -0.960 5.3-166.7-126.1 114.7 5.1 91.0 28.9 31 23 A N E -DE 38 63C 3 7,-3.1 7,-2.1 -2,-0.5 2,-0.6 -0.865 10.2-172.7-100.5 110.9 4.8 94.8 28.6 32 24 A E E +DE 37 62C 111 30,-2.0 30,-2.1 -2,-0.8 2,-0.3 -0.893 21.2 142.9-107.9 117.8 1.4 95.9 29.8 33 25 A S E > -D 36 0C 5 3,-2.0 3,-2.0 -2,-0.6 28,-0.2 -0.974 57.4 -1.8-157.3 136.7 0.7 99.5 29.2 34 26 A D T 3 S- 0 0 96 26,-0.4 3,-0.1 -2,-0.3 27,-0.1 0.784 127.8 -49.0 60.3 32.7 -2.3 101.8 28.2 35 27 A G T 3 S+ 0 0 87 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.451 121.0 104.6 86.7 -4.2 -4.8 99.0 27.7 36 28 A H E < -D 33 0C 98 -3,-2.0 -3,-2.0 2,-0.0 2,-0.4 -0.738 50.6-164.0-109.4 159.2 -2.3 97.0 25.6 37 29 A T E -D 32 0C 86 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.959 3.7-172.8-143.4 126.6 -0.2 94.0 26.3 38 30 A T E -D 31 0C 34 -7,-2.1 -7,-3.1 -2,-0.4 2,-0.4 -0.983 6.9-174.5-120.7 124.6 2.7 92.9 24.2 39 31 A S E +D 30 0C 46 -2,-0.5 2,-0.3 -9,-0.2 120,-0.2 -0.938 21.0 126.0-122.1 144.1 4.4 89.5 25.0 40 32 A L E -D 29 0C 1 -11,-2.1 -11,-3.6 -2,-0.4 2,-0.2 -0.933 49.0 -81.3-171.9-176.3 7.6 88.1 23.4 41 33 A Y E -D 28 0C 27 118,-3.1 11,-0.5 -2,-0.3 2,-0.3 -0.629 27.6-169.1-108.8 163.8 10.9 86.7 24.5 42 34 A G E -DF 27 51C 0 -15,-2.5 -15,-2.4 -2,-0.2 2,-0.5 -0.917 21.5-123.9-140.1 167.9 14.3 87.9 25.5 43 35 A I E -DF 26 50C 0 7,-2.7 7,-3.0 -2,-0.3 -17,-0.2 -0.972 24.8-138.4-119.3 120.7 17.8 86.4 26.1 44 36 A G E + F 0 49C 0 -19,-2.7 2,-0.3 -2,-0.5 5,-0.2 -0.505 27.2 165.8 -82.2 144.6 19.5 86.9 29.5 45 37 A F E > - F 0 48C 2 3,-2.5 3,-2.6 1,-0.3 59,-0.2 -0.813 65.0 -48.3-157.4 108.4 23.2 87.7 29.7 46 38 A G T 3 S- 0 0 1 57,-2.2 56,-2.9 1,-0.3 -1,-0.3 -0.347 124.3 -19.1 60.0-134.5 24.6 89.0 33.0 47 39 A P T 3 S+ 0 0 33 0, 0.0 48,-3.2 0, 0.0 -1,-0.3 0.409 124.7 91.9 -85.2 5.8 22.4 91.9 34.2 48 40 A F E < -FG 45 94C 9 -3,-2.6 -3,-2.5 46,-0.2 2,-0.4 -0.643 57.1-159.0-104.6 157.3 21.0 92.3 30.7 49 41 A I E -FG 44 93C 0 44,-2.0 44,-2.7 -5,-0.2 2,-0.5 -0.993 16.5-152.3-129.0 123.6 18.0 90.9 28.7 50 42 A I E +FG 43 92C 1 -7,-3.0 -7,-2.7 -2,-0.4 2,-0.2 -0.848 36.4 138.9 -97.9 127.1 18.5 91.2 24.9 51 43 A T E -FG 42 91C 0 40,-2.3 40,-2.8 -2,-0.5 2,-0.3 -0.842 52.8 -54.4-154.5-172.9 15.1 91.4 23.1 52 44 A N > - 0 0 0 -11,-0.5 3,-1.6 -2,-0.2 38,-0.3 -0.567 34.8-137.9 -78.1 139.8 13.2 93.1 20.3 53 45 A K G > S+ 0 0 13 -2,-0.3 3,-2.3 1,-0.3 159,-0.1 0.854 101.0 69.3 -62.0 -31.5 13.1 96.9 20.2 54 46 A H G > S+ 0 0 12 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.617 74.8 82.0 -69.5 -5.8 9.3 96.7 19.4 55 47 A L G X S+ 0 0 1 -3,-1.6 3,-0.5 1,-0.3 -1,-0.3 0.820 91.5 55.2 -57.7 -31.1 8.7 95.5 22.9 56 48 A F G < + 0 0 0 -3,-2.3 156,-1.8 -4,-0.3 -1,-0.3 -0.059 60.1 122.3 -97.3 30.7 8.8 99.2 23.6 57 49 A R G < S+ 0 0 38 -3,-1.5 2,-0.3 154,-0.2 -1,-0.2 0.891 93.6 25.1 -51.8 -37.7 6.2 100.4 21.1 58 50 A R < - 0 0 32 -3,-0.5 2,-0.1 -4,-0.2 -1,-0.1 -0.919 66.5-178.2-124.7 153.0 4.8 101.6 24.4 59 51 A N + 0 0 8 -2,-0.3 -3,-0.1 153,-0.1 -26,-0.1 -0.553 54.0 93.4-150.2 78.6 6.7 102.5 27.6 60 52 A N S S+ 0 0 100 -2,-0.1 -26,-0.4 2,-0.1 2,-0.2 -0.018 79.2 36.8-162.1 35.7 4.3 103.6 30.3 61 53 A G S S- 0 0 15 -28,-0.2 16,-3.0 -3,-0.1 17,-0.3 -0.474 89.5 -41.7-156.1-134.2 3.3 100.5 32.4 62 54 A T E -E 32 0C 31 -30,-2.1 -30,-2.0 14,-0.2 2,-0.5 -0.799 31.7-145.6-119.9 156.4 4.7 97.3 33.8 63 55 A L E -EH 31 74C 0 11,-1.9 11,-2.9 -2,-0.3 2,-0.5 -0.959 9.0-160.4-124.3 117.5 7.1 94.6 32.6 64 56 A L E -EH 30 73C 53 -34,-2.5 -34,-2.1 -2,-0.5 2,-0.6 -0.832 10.5-165.9 -93.9 130.2 6.5 91.0 33.7 65 57 A V E -EH 29 72C 0 7,-3.6 7,-2.5 -2,-0.5 2,-0.5 -0.944 5.1-168.2-123.1 110.5 9.6 88.9 33.3 66 58 A Q E +EH 28 71C 66 -38,-3.0 -38,-2.4 -2,-0.6 5,-0.2 -0.870 25.3 148.3 -97.2 123.4 9.3 85.1 33.5 67 59 A S E > - H 0 70C 6 3,-3.2 3,-1.5 -2,-0.5 -40,-0.1 -0.766 63.3 -79.2-140.0-171.2 12.7 83.3 33.8 68 60 A L T 3 S+ 0 0 82 -44,-0.4 3,-0.1 1,-0.3 61,-0.1 0.831 127.6 53.3 -62.9 -34.1 14.4 80.2 35.3 69 61 A H T 3 S- 0 0 104 1,-0.3 2,-0.3 31,-0.1 -1,-0.3 0.422 121.6 -95.9 -88.5 6.6 14.6 82.0 38.6 70 62 A G E < -H 67 0C 29 -3,-1.5 -3,-3.2 2,-0.0 2,-0.5 -0.816 56.1 -39.0 120.7-159.6 10.9 82.7 38.7 71 63 A V E -H 66 0C 36 -2,-0.3 396,-3.0 394,-0.3 2,-0.4 -0.930 50.6-179.0-114.7 128.4 8.6 85.6 37.8 72 64 A F E -Hi 65 467C 15 -7,-2.5 -7,-3.6 -2,-0.5 2,-0.5 -0.949 12.5-149.5-127.6 146.2 9.6 89.3 38.5 73 65 A K E -Hi 64 468C 47 394,-2.8 396,-2.6 -2,-0.4 2,-0.6 -0.970 5.7-149.8-124.1 128.3 7.6 92.4 37.9 74 66 A V E -H 63 0C 4 -11,-2.9 -11,-1.9 -2,-0.5 3,-0.2 -0.841 12.5-155.1 -89.4 121.6 9.0 95.8 37.0 75 67 A K S S+ 0 0 112 -2,-0.6 2,-0.4 1,-0.3 -1,-0.1 0.814 80.1 22.9 -71.1 -32.2 6.5 98.3 38.4 76 68 A N > - 0 0 68 1,-0.1 3,-2.1 -13,-0.1 4,-0.3 -0.892 63.6-161.1-139.8 106.9 7.3 101.2 36.1 77 69 A T G > S+ 0 0 0 -16,-3.0 3,-1.7 -2,-0.4 132,-0.4 0.753 85.7 72.8 -59.0 -24.7 8.9 100.4 32.8 78 70 A T G 3 S+ 0 0 48 -17,-0.3 -1,-0.3 1,-0.3 132,-0.1 0.627 89.8 62.3 -67.3 -12.4 10.2 104.0 32.4 79 71 A T G < S+ 0 0 63 -3,-2.1 2,-0.4 129,-0.1 -1,-0.3 0.575 80.1 105.4 -85.8 -11.1 12.7 103.3 35.1 80 72 A L S < S- 0 0 3 -3,-1.7 129,-0.6 -4,-0.3 2,-0.2 -0.560 71.5-128.6 -75.8 127.8 14.4 100.6 33.0 81 73 A Q E -JK 94 208C 86 13,-0.6 13,-2.8 -2,-0.4 2,-0.4 -0.493 30.7-167.8 -71.1 137.4 17.8 101.4 31.4 82 74 A Q E -JK 93 207C 0 125,-3.2 125,-2.4 11,-0.2 2,-0.5 -0.967 19.6-159.1-130.2 142.6 17.8 100.6 27.7 83 75 A H E -JK 92 206C 18 9,-2.6 9,-2.5 -2,-0.4 2,-0.3 -0.969 21.9-145.2-122.6 115.6 20.6 100.4 25.0 84 76 A L E -J 91 0C 53 -2,-0.5 2,-0.8 121,-0.5 7,-0.2 -0.608 5.5-140.5 -82.9 139.3 19.3 100.8 21.5 85 77 A I > - 0 0 11 5,-1.9 3,-2.0 -2,-0.3 5,-0.5 -0.871 36.4-116.1 -99.2 108.5 20.8 98.9 18.6 86 78 A D T 3 S- 0 0 156 -2,-0.8 3,-0.1 1,-0.3 5,-0.0 -0.146 86.3 -6.3 -46.8 125.1 20.8 101.4 15.7 87 79 A G T 3 S+ 0 0 32 1,-0.2 133,-0.4 132,-0.0 2,-0.3 0.487 113.6 96.6 69.2 5.5 18.6 100.6 12.8 88 80 A R S < S- 0 0 34 -3,-2.0 2,-2.0 2,-0.2 -3,-0.3 -0.867 84.0-112.8-125.0 155.3 17.7 97.0 14.0 89 81 A D S S+ 0 0 0 -2,-0.3 2,-0.4 -36,-0.1 99,-0.2 -0.406 84.4 106.1 -82.6 65.6 14.7 95.6 15.9 90 82 A M + 0 0 0 -2,-2.0 -5,-1.9 -5,-0.5 2,-0.3 -0.999 39.1 167.4-147.4 140.3 17.0 94.9 18.9 91 83 A I E -GJ 51 84C 0 -40,-2.8 -40,-2.3 -2,-0.4 2,-0.5 -0.982 25.8-134.8-147.8 155.2 17.4 96.5 22.3 92 84 A I E -GJ 50 83C 4 -9,-2.5 -9,-2.6 -2,-0.3 2,-0.4 -0.978 15.7-157.8-117.3 128.0 19.2 95.6 25.5 93 85 A I E -GJ 49 82C 0 -44,-2.7 -44,-2.0 -2,-0.5 2,-0.7 -0.868 9.1-145.6 -97.8 133.0 17.4 96.1 28.9 94 86 A R E -GJ 48 81C 83 -13,-2.8 -13,-0.6 -2,-0.4 -46,-0.2 -0.889 20.5-143.5 -96.6 119.8 19.6 96.5 32.0 95 87 A M - 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