==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN, HYDROLASE 28-JUL-03 1Q31 . COMPND 2 MOLECULE: NUCLEAR INCLUSION PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: TOBACCO ETCH VIRUS; . AUTHOR C.M.NUNN,S.DJORDJEVIC,R.R.GEORGE,G.T.URQUHART,L.H.CHAO,Y.TSU . 453 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21583.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 155 34.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.3 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 1.8 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 . 49 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 3.5 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 0 2 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 . 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 9 2 10 5 2 2 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 . 2 0 0 0 0 0 0 0 0 2 0 0 0 0 1 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 4 A L 0 0 215 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.4 -22.9 27.6 57.4 2 5 A F - 0 0 167 1,-0.1 2,-0.1 0, 0.0 154,-0.0 -0.098 360.0 -90.9 -46.8 145.4 -20.3 29.6 59.3 3 6 A K - 0 0 141 1,-0.1 3,-0.1 3,-0.0 -1,-0.1 -0.340 42.7-118.1 -68.3 141.8 -19.8 28.2 62.8 4 7 A G - 0 0 50 1,-0.2 -1,-0.1 -3,-0.1 2,-0.0 0.297 59.2 -34.0 -62.5-168.7 -21.9 29.5 65.7 5 8 A P - 0 0 148 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.325 61.1-168.2 -56.4 129.8 -20.8 31.3 68.9 6 9 A R - 0 0 93 -3,-0.1 2,-0.7 -2,-0.0 152,-0.0 -0.969 18.8-129.9-122.8 135.3 -17.4 30.0 70.2 7 10 A D + 0 0 103 -2,-0.4 4,-0.2 1,-0.1 0, 0.0 -0.776 28.2 171.3 -89.7 111.1 -16.0 30.8 73.6 8 11 A Y > + 0 0 30 -2,-0.7 4,-2.7 1,-0.2 3,-0.3 0.398 53.9 95.6 -99.5 3.6 -12.4 32.1 73.4 9 12 A N H > S+ 0 0 89 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.876 80.2 57.6 -63.4 -34.4 -12.0 33.2 77.0 10 13 A P H > S+ 0 0 74 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.907 112.3 42.5 -62.6 -35.4 -10.4 29.8 78.0 11 14 A I H >4 S+ 0 0 19 -3,-0.3 3,-0.6 -4,-0.2 -2,-0.2 0.912 117.2 44.3 -75.8 -44.1 -7.7 30.5 75.4 12 15 A S H >< S+ 0 0 4 -4,-2.7 3,-3.5 1,-0.2 -3,-0.2 0.911 98.8 68.9 -71.5 -37.3 -7.1 34.1 76.1 13 16 A S H 3< S+ 0 0 49 -4,-2.7 44,-0.6 1,-0.3 -1,-0.2 0.816 100.1 53.8 -49.6 -27.9 -7.1 33.8 79.8 14 17 A T T << S+ 0 0 3 -3,-0.6 19,-2.3 -4,-0.5 -1,-0.3 0.522 84.2 111.3 -84.2 -6.8 -3.8 32.0 79.2 15 18 A I E < -A 32 0A 0 -3,-3.5 2,-0.3 17,-0.2 17,-0.2 -0.498 48.0-170.5 -72.7 136.0 -2.3 34.8 77.2 16 19 A C E -A 31 0A 0 15,-2.4 15,-1.4 -2,-0.2 2,-0.5 -0.890 20.3-132.3-124.4 155.0 0.7 36.6 78.8 17 20 A H E -AB 30 55A 33 38,-1.1 38,-1.1 -2,-0.3 2,-0.4 -0.931 26.6-160.8-108.5 129.4 2.5 39.8 77.8 18 21 A L E -AB 29 54A 0 11,-4.1 11,-1.8 -2,-0.5 2,-0.4 -0.888 13.0-176.4-116.0 144.6 6.3 39.5 77.9 19 22 A T E -AB 28 53A 29 34,-0.7 34,-2.9 -2,-0.4 2,-0.6 -0.951 6.8-164.3-140.5 114.3 9.0 42.1 78.1 20 23 A N E -AB 27 52A 2 7,-3.9 7,-2.0 -2,-0.4 2,-0.6 -0.880 4.1-172.5-102.2 121.6 12.7 41.4 78.0 21 24 A E E +AB 26 51A 108 30,-2.7 30,-1.3 -2,-0.6 2,-0.3 -0.802 20.5 153.3-118.1 90.7 15.0 44.1 79.1 22 25 A S E - B 0 50A 2 3,-0.7 28,-0.2 -2,-0.6 3,-0.1 -0.814 62.8 -13.2-115.9 156.9 18.6 43.3 78.5 23 26 A D S S- 0 0 104 26,-0.8 2,-1.1 -2,-0.3 -1,-0.2 0.658 123.3 -52.7 19.6 56.0 21.7 45.5 77.9 24 27 A G S S+ 0 0 68 1,-0.2 -1,-0.2 -3,-0.1 0, 0.0 -0.555 119.1 74.4 96.4 -74.6 19.7 48.7 77.3 25 28 A H - 0 0 126 -2,-1.1 -3,-0.7 -3,-0.1 2,-0.3 -0.021 66.4-141.4 -69.5 177.5 17.0 47.9 74.6 26 29 A T E -A 21 0A 72 -5,-0.2 2,-0.4 -3,-0.1 -5,-0.2 -0.975 11.9-160.5-152.1 138.0 13.9 45.9 75.1 27 30 A T E +A 20 0A 38 -7,-2.0 -7,-3.9 -2,-0.3 2,-0.3 -0.912 17.9 174.1-113.1 137.4 11.7 43.3 73.3 28 31 A S E +A 19 0A 44 -2,-0.4 2,-0.2 -9,-0.3 -9,-0.2 -0.997 14.6 126.3-147.6 141.0 8.1 42.7 74.3 29 32 A L E -A 18 0A 0 -11,-1.8 -11,-4.1 -2,-0.3 120,-0.2 -0.842 50.6 -70.1-166.2-164.3 5.4 40.5 72.8 30 33 A Y E -A 17 0A 33 118,-2.5 11,-0.5 -2,-0.2 2,-0.3 -0.452 31.8-172.9-105.9 176.5 2.9 37.8 73.8 31 34 A G E -AC 16 40A 0 -15,-1.4 -15,-2.4 9,-0.2 2,-0.5 -0.966 25.6-119.2-161.8 158.8 3.1 34.2 74.8 32 35 A I E -AC 15 39A 1 7,-2.7 7,-4.0 -2,-0.3 2,-0.4 -0.926 27.9-138.5-108.1 126.3 0.6 31.4 75.5 33 36 A G E + C 0 38A 1 -19,-2.3 2,-0.3 -2,-0.5 5,-0.3 -0.723 27.3 168.8 -88.8 135.8 0.8 29.9 79.0 34 37 A F E > - C 0 37A 5 3,-3.2 3,-2.4 -2,-0.4 59,-0.2 -0.913 58.5 -48.2-148.0 116.4 0.5 26.1 79.3 35 38 A G T 3 S- 0 0 1 57,-2.8 56,-2.0 -2,-0.3 153,-0.1 -0.410 124.5 -18.0 60.4-129.9 1.2 24.2 82.5 36 39 A P T 3 S+ 0 0 44 0, 0.0 48,-1.9 0, 0.0 2,-0.3 0.294 127.5 84.1 -87.9 7.1 4.6 25.4 83.9 37 40 A F E < -CD 34 83A 8 -3,-2.4 -3,-3.2 46,-0.2 2,-0.4 -0.767 61.5-151.6-115.6 159.2 5.5 26.8 80.5 38 41 A I E -CD 33 82A 0 44,-1.9 44,-1.9 -2,-0.3 2,-0.6 -0.999 19.8-150.7-121.5 123.5 5.0 30.0 78.4 39 42 A I E +CD 32 81A 1 -7,-4.0 -7,-2.7 -2,-0.4 42,-0.2 -0.863 38.2 137.7 -95.7 117.5 5.0 29.3 74.6 40 43 A T E -CD 31 80A 0 40,-1.8 40,-1.4 -2,-0.6 2,-0.7 -0.549 52.0 -48.3-140.2-155.0 6.3 32.3 72.7 41 44 A N > - 0 0 0 -11,-0.5 3,-3.1 38,-0.2 4,-0.3 -0.767 33.5-141.4 -96.3 112.2 8.4 33.7 69.9 42 45 A K G > S+ 0 0 14 -2,-0.7 3,-1.0 36,-0.5 37,-0.2 0.704 101.6 69.6 -37.6 -20.7 12.0 32.5 69.7 43 46 A H G > + 0 0 8 35,-0.4 3,-0.7 1,-0.2 -1,-0.3 0.335 69.9 88.7 -88.1 13.2 12.7 36.1 68.8 44 47 A L G < S+ 0 0 0 -3,-3.1 3,-0.4 1,-0.2 -1,-0.2 0.742 85.2 59.4 -73.8 -24.3 12.0 37.3 72.3 45 48 A F G < + 0 0 0 -3,-1.0 156,-2.2 -4,-0.3 -1,-0.2 -0.199 52.9 133.3-102.1 41.3 15.6 36.6 72.9 46 49 A R S < S+ 0 0 37 -3,-0.7 2,-0.3 154,-0.2 -1,-0.2 0.805 95.5 13.2 -57.1 -24.4 17.2 38.9 70.4 47 50 A R S S- 0 0 81 -3,-0.4 -1,-0.1 152,-0.1 -20,-0.1 -0.928 71.9-169.2-143.3 155.0 19.3 39.6 73.6 48 51 A N + 0 0 11 -2,-0.3 19,-0.1 150,-0.1 -3,-0.1 -0.363 51.8 99.8-151.1 64.0 19.2 37.5 76.8 49 52 A N S S+ 0 0 85 17,-0.1 -26,-0.8 2,-0.1 2,-0.2 -0.259 76.4 28.9-145.5 52.4 21.0 39.4 79.6 50 53 A G E S-B 22 0A 16 -28,-0.2 16,-2.6 -27,-0.1 2,-0.3 -0.524 90.1 -24.3-163.1-127.3 18.4 41.0 81.8 51 54 A T E -B 21 0A 29 -30,-1.3 -30,-2.7 14,-0.2 2,-0.5 -0.897 35.7-148.2-119.9 146.0 14.9 40.8 83.2 52 55 A L E -BE 20 63A 0 11,-1.8 11,-3.3 -2,-0.3 2,-0.9 -0.954 8.5-157.6-116.5 119.8 11.7 39.2 81.9 53 56 A L E -BE 19 62A 50 -34,-2.9 -34,-0.7 -2,-0.5 2,-0.3 -0.812 11.6-170.1 -99.6 101.0 8.4 40.9 82.8 54 57 A V E -BE 18 61A 0 7,-1.1 7,-1.5 -2,-0.9 2,-0.4 -0.702 3.5-168.9 -89.3 140.6 5.6 38.4 82.6 55 58 A Q E +BE 17 60A 51 -38,-1.1 -38,-1.1 -2,-0.3 5,-0.2 -0.737 17.9 157.6-136.3 89.4 2.0 39.7 82.8 56 59 A S E > - E 0 59A 8 3,-0.8 3,-1.5 -2,-0.4 -40,-0.1 -0.287 61.8 -92.0 -97.2-175.9 -0.7 37.1 83.2 57 60 A L T 3 S+ 0 0 76 -44,-0.6 3,-0.1 1,-0.3 -43,-0.1 0.682 125.5 67.5 -73.0 -12.4 -4.2 37.5 84.6 58 61 A H T 3 S- 0 0 112 1,-0.2 2,-0.4 31,-0.1 -1,-0.3 0.602 117.8-106.0 -77.5 -14.5 -2.6 36.5 87.9 59 62 A G E < -E 56 0A 33 -3,-1.5 -3,-0.8 2,-0.0 2,-0.5 -0.970 56.9 -29.1 129.4-141.5 -0.8 39.8 87.9 60 63 A V E +E 55 0A 93 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.952 49.1 179.3-128.4 115.6 2.8 40.7 87.1 61 64 A F E -E 54 0A 37 -7,-1.5 -7,-1.1 -2,-0.5 2,-0.4 -0.692 13.0-155.7-103.3 157.9 5.7 38.4 87.8 62 65 A K E -E 53 0A 108 -2,-0.3 2,-0.7 -9,-0.2 -9,-0.2 -0.996 10.3-143.3-141.0 133.4 9.3 39.5 87.0 63 66 A V E -E 52 0A 6 -11,-3.3 -11,-1.8 -2,-0.4 3,-0.3 -0.876 7.2-159.7 -99.8 114.1 12.3 37.3 86.3 64 67 A K S S+ 0 0 166 -2,-0.7 2,-0.3 1,-0.2 -1,-0.1 0.742 82.1 29.8 -63.1 -26.1 15.4 38.9 87.8 65 68 A N > - 0 0 76 1,-0.1 3,-2.0 -13,-0.1 4,-0.3 -0.777 58.8-170.5-143.7 99.9 17.8 37.0 85.5 66 69 A T G > S+ 0 0 0 -16,-2.6 3,-3.3 -2,-0.3 132,-0.3 0.872 83.7 70.1 -49.6 -47.4 16.8 35.8 82.0 67 70 A T G 3 S+ 0 0 49 1,-0.3 -1,-0.3 -17,-0.2 132,-0.1 0.614 92.8 59.5 -50.0 -15.9 19.9 33.6 81.6 68 71 A T G < S+ 0 0 73 -3,-2.0 2,-0.4 129,-0.1 -1,-0.3 0.632 78.4 112.6 -90.1 -13.7 18.5 31.2 84.3 69 72 A L < - 0 0 4 -3,-3.3 129,-0.6 -4,-0.3 2,-0.4 -0.459 69.4-131.8 -68.7 115.2 15.4 30.5 82.2 70 73 A Q E -FG 83 197A 79 13,-0.6 13,-2.8 -2,-0.4 2,-0.4 -0.518 34.6-173.5 -65.1 120.8 15.3 26.9 81.0 71 74 A Q E -FG 82 196A 0 125,-3.7 125,-1.5 -2,-0.4 2,-0.5 -0.969 21.3-159.9-130.0 138.3 14.4 27.2 77.3 72 75 A H E -F 81 0A 15 9,-2.5 9,-2.5 -2,-0.4 2,-0.2 -0.958 18.0-144.6-117.6 115.7 13.7 24.7 74.6 73 76 A L E -F 80 0A 41 -2,-0.5 2,-0.7 121,-0.4 7,-0.2 -0.528 5.6-138.7 -81.8 142.3 14.1 25.7 71.0 74 77 A I > - 0 0 10 5,-1.4 3,-1.7 3,-0.3 5,-0.5 -0.872 32.5-117.0 -97.9 111.0 11.8 24.5 68.2 75 78 A D T 3 S+ 0 0 139 -2,-0.7 3,-0.1 1,-0.2 5,-0.0 -0.189 88.2 1.1 -56.8 135.6 13.9 23.7 65.1 76 79 A G T 3 S+ 0 0 40 1,-0.2 133,-0.9 131,-0.1 2,-0.3 0.526 113.2 98.0 68.5 8.7 13.4 25.7 62.0 77 80 A R S < S- 0 0 36 -3,-1.7 2,-1.4 2,-0.2 -3,-0.3 -0.939 80.4-124.8-130.1 150.8 10.7 27.9 63.6 78 81 A D S S+ 0 0 0 -2,-0.3 -36,-0.5 -3,-0.1 -35,-0.4 -0.191 83.2 107.1 -82.0 47.2 10.5 31.3 65.2 79 82 A M + 0 0 4 -2,-1.4 -5,-1.4 -5,-0.5 2,-0.3 -0.867 41.6 168.4-124.6 157.5 9.0 29.4 68.2 80 83 A I E -DF 40 73A 0 -40,-1.4 -40,-1.8 -2,-0.3 2,-0.4 -0.985 25.3-130.0-162.4 156.7 10.4 28.5 71.6 81 84 A I E -DF 39 72A 4 -9,-2.5 -9,-2.5 -2,-0.3 2,-0.4 -0.938 15.9-159.0-118.6 140.2 9.3 27.1 75.0 82 85 A I E -DF 38 71A 0 -44,-1.9 -44,-1.9 -2,-0.4 2,-0.8 -0.968 9.6-149.9-117.6 130.2 10.1 28.7 78.3 83 86 A R E -DF 37 70A 79 -13,-2.8 -13,-0.6 -2,-0.4 -46,-0.2 -0.887 27.6-138.8 -97.4 108.5 10.0 26.8 81.6 84 87 A M - 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