==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 10-NOV-09 3KMA . COMPND 2 MOLECULE: A612L PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PARAMECIUM BURSARIA CHLORELLA VIRUS 1; . AUTHOR H.WEI,M.M.ZHOU . 210 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10327.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 61.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 35.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 . 8 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 5 2 2 0 8 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 . 2 4 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 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 M 0 0 22 0, 0.0 7,-2.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 122.4 -28.8 34.1 59.8 2 2 A F B -A 7 0A 119 136,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.986 360.0-157.5-168.9 170.7 -28.7 37.5 58.1 3 3 A N - 0 0 24 3,-2.5 106,-0.0 -2,-0.3 18,-0.0 -0.673 56.3 -64.5-140.3-163.4 -27.7 41.1 58.2 4 4 A D S S+ 0 0 108 -2,-0.2 3,-0.1 1,-0.2 105,-0.0 0.619 130.2 24.9 -68.9 -11.6 -28.8 44.3 56.5 5 5 A R S S+ 0 0 69 1,-0.3 16,-2.9 25,-0.1 17,-0.9 0.623 120.0 35.4-127.1 -19.2 -27.8 43.1 53.0 6 6 A V E - B 0 20A 0 14,-0.3 -3,-2.5 15,-0.2 2,-0.3 -0.970 52.6-166.6-139.1 154.8 -27.8 39.3 52.8 7 7 A I E -AB 2 19A 43 12,-2.5 12,-3.2 -2,-0.3 2,-0.5 -0.997 20.8-128.0-140.7 142.8 -29.8 36.4 54.3 8 8 A V E + B 0 18A 12 -7,-2.7 2,-0.3 -2,-0.3 10,-0.2 -0.800 40.3 152.9 -94.7 128.9 -29.1 32.7 54.4 9 9 A K E - B 0 17A 94 8,-2.0 8,-2.4 -2,-0.5 2,-0.1 -0.920 52.8 -69.8-145.5 168.7 -31.9 30.4 53.1 10 10 A K E - B 0 16A 78 -2,-0.3 6,-0.3 6,-0.2 5,-0.1 -0.421 53.8-143.5 -62.8 133.7 -32.3 27.0 51.5 11 11 A S > - 0 0 10 4,-3.4 3,-2.8 1,-0.1 -1,-0.1 -0.847 17.5-138.0-107.9 138.4 -30.9 27.1 47.9 12 12 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.753 107.7 66.3 -60.3 -20.5 -32.3 25.2 44.9 13 13 A L T 3 S- 0 0 102 1,-0.2 3,-0.1 2,-0.1 57,-0.1 0.497 126.5 -82.6 -77.9 -3.9 -28.6 24.5 44.2 14 14 A G S < S+ 0 0 42 -3,-2.8 -1,-0.2 1,-0.3 0, 0.0 0.146 86.6 3.0 109.9 135.3 -28.6 22.4 47.3 15 15 A G S S- 0 0 61 -3,-0.1 -4,-3.4 -5,-0.1 -1,-0.3 -0.281 109.8 -14.7 61.8-143.0 -28.2 23.0 51.0 16 16 A Y E +B 10 0A 130 -6,-0.3 2,-0.3 -3,-0.1 -6,-0.2 -0.602 61.5 180.0 -96.1 156.7 -27.9 26.6 52.1 17 17 A G E -B 9 0A 0 -8,-2.4 -8,-2.0 -2,-0.2 2,-0.5 -0.941 29.9-108.4-147.2 165.9 -27.2 29.7 50.0 18 18 A V E -BC 8 101A 0 83,-0.5 83,-3.3 -2,-0.3 2,-0.3 -0.890 34.7-167.1-104.4 127.7 -26.7 33.5 50.5 19 19 A F E -BC 7 100A 18 -12,-3.2 -12,-2.5 -2,-0.5 2,-0.3 -0.876 24.0-108.4-117.6 147.3 -29.5 35.7 49.1 20 20 A A E -B 6 0A 3 79,-2.4 78,-2.8 -2,-0.3 -14,-0.3 -0.521 23.0-176.5 -74.5 131.5 -29.7 39.5 48.6 21 21 A R S S+ 0 0 103 -16,-2.9 2,-0.3 -2,-0.3 -15,-0.2 0.577 77.5 23.7 -98.6 -17.1 -31.9 41.5 50.9 22 22 A K S S- 0 0 72 -17,-0.9 2,-0.2 74,-0.1 76,-0.1 -0.854 98.3 -83.1-138.1 172.2 -31.2 44.7 49.0 23 23 A S - 0 0 83 -2,-0.3 2,-0.4 73,-0.1 73,-0.2 -0.559 42.0-150.6 -80.3 146.3 -30.1 45.6 45.5 24 24 A F B -D 95 0B 6 71,-2.9 71,-2.0 -2,-0.2 2,-0.2 -0.951 3.7-139.6-121.1 139.3 -26.4 45.5 44.7 25 25 A E > - 0 0 58 -2,-0.4 3,-1.6 69,-0.2 66,-0.2 -0.494 44.1 -79.2 -88.3 163.8 -24.5 47.6 42.2 26 26 A K T 3 S+ 0 0 145 1,-0.2 66,-0.2 -2,-0.2 -1,-0.1 -0.430 117.2 12.9 -65.4 133.7 -21.8 46.0 40.1 27 27 A G T 3 S+ 0 0 40 64,-1.0 -1,-0.2 1,-0.3 65,-0.1 0.431 91.0 148.1 82.0 -0.4 -18.5 45.7 42.0 28 28 A E < - 0 0 61 -3,-1.6 63,-2.2 1,-0.1 2,-0.4 -0.375 55.2-108.8 -70.4 144.3 -20.1 46.3 45.4 29 29 A L E +E 90 0C 64 61,-0.2 61,-0.2 1,-0.2 3,-0.1 -0.607 36.8 176.3 -74.9 123.9 -18.7 44.7 48.5 30 30 A V E - 0 0 0 59,-3.4 2,-0.3 -2,-0.4 60,-0.2 0.851 64.0 -3.3 -93.6 -44.8 -21.2 42.0 49.6 31 31 A E E -E 89 0C 10 58,-1.4 58,-2.7 2,-0.0 2,-0.4 -0.996 49.4-167.4-153.8 142.8 -19.2 40.5 52.5 32 32 A E E +E 88 0C 47 -2,-0.3 2,-0.3 56,-0.2 76,-0.3 -0.995 26.5 161.8-130.9 125.8 -15.8 40.8 54.2 33 33 A C E -E 87 0C 0 54,-2.6 54,-3.0 -2,-0.4 2,-0.2 -0.965 36.6-112.2-145.4 158.3 -14.8 38.1 56.7 34 34 A L E -E 86 0C 23 -2,-0.3 28,-2.8 52,-0.2 2,-0.3 -0.540 30.3-148.4 -86.3 155.7 -11.9 36.7 58.5 35 35 A C E -G 61 0D 12 50,-2.3 2,-0.6 26,-0.2 26,-0.2 -0.922 13.2-127.2-125.2 152.1 -10.6 33.1 57.7 36 36 A I E -G 60 0D 17 24,-2.3 24,-2.5 -2,-0.3 2,-0.4 -0.890 32.3-158.6 -98.4 122.7 -9.0 30.5 59.9 37 37 A V E +G 59 0D 37 -2,-0.6 2,-0.3 22,-0.2 22,-0.2 -0.892 20.8 154.4-111.4 131.0 -5.8 29.4 58.1 38 38 A R E -G 58 0D 76 20,-2.4 20,-2.6 -2,-0.4 5,-0.1 -0.982 50.2 -78.6-149.1 158.1 -3.9 26.1 58.6 39 39 A H E > -G 57 0D 66 -2,-0.3 3,-2.7 18,-0.2 4,-0.4 -0.248 48.9-113.2 -55.1 141.7 -1.6 23.7 56.8 40 40 A N G > S+ 0 0 50 16,-2.7 3,-1.4 1,-0.3 -1,-0.1 0.825 115.5 59.9 -46.6 -39.1 -3.5 21.5 54.3 41 41 A D G 3 S+ 0 0 138 15,-0.3 -1,-0.3 1,-0.3 110,-0.2 0.578 92.4 67.4 -71.0 -8.2 -2.7 18.4 56.3 42 42 A D G < S+ 0 0 49 -3,-2.7 110,-2.6 108,-0.1 109,-0.4 0.633 87.2 85.2 -84.0 -14.2 -4.5 19.9 59.4 43 43 A W < - 0 0 30 -3,-1.4 106,-0.1 -4,-0.4 2,-0.1 -0.730 61.7-159.6 -95.9 137.8 -7.9 19.7 57.7 44 44 A G - 0 0 28 -2,-0.4 3,-0.3 104,-0.1 105,-0.2 -0.060 43.9 -83.8 -92.2-161.8 -10.1 16.6 57.6 45 45 A T S > S+ 0 0 72 103,-0.4 3,-1.4 102,-0.2 4,-0.3 0.710 105.4 92.4 -79.8 -19.9 -12.9 15.8 55.2 46 46 A A T 3 S+ 0 0 3 102,-2.5 3,-0.2 1,-0.3 -1,-0.2 0.830 100.8 18.0 -41.0 -52.3 -15.4 17.8 57.1 47 47 A L T >> S+ 0 0 4 -3,-0.3 3,-2.5 101,-0.2 4,-2.0 0.179 82.3 120.5-112.6 18.7 -15.0 21.1 55.3 48 48 A E T <4 S+ 0 0 118 -3,-1.4 -1,-0.1 1,-0.3 -2,-0.1 0.770 77.0 55.0 -55.8 -25.6 -13.3 20.1 52.0 49 49 A D T 34 S+ 0 0 122 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.513 115.6 38.5 -84.9 -3.4 -16.2 21.6 50.0 50 50 A Y T <4 S+ 0 0 73 -3,-2.5 11,-0.3 2,-0.0 -2,-0.2 0.640 91.2 104.1-115.6 -26.2 -15.8 25.0 51.7 51 51 A L < - 0 0 29 -4,-2.0 2,-0.4 9,-0.1 9,-0.2 -0.215 54.9-148.6 -64.9 150.0 -12.1 25.4 52.0 52 52 A F E -H 59 0D 22 7,-2.0 7,-2.8 32,-0.1 2,-0.4 -0.963 20.7-160.2-116.6 133.5 -10.0 27.7 49.8 53 53 A S E +H 58 0D 81 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.920 21.8 174.5-125.8 148.3 -6.4 26.6 49.2 54 54 A R E > -H 57 0D 43 3,-2.6 3,-2.0 -2,-0.4 2,-0.1 -0.932 68.0 -43.6-147.9 117.6 -3.2 28.2 48.1 55 55 A K T 3 S- 0 0 205 -2,-0.3 -15,-0.0 1,-0.3 0, 0.0 -0.395 125.0 -17.7 59.8-126.4 0.1 26.2 48.1 56 56 A N T 3 S+ 0 0 79 -2,-0.1 -16,-2.7 -3,-0.1 2,-0.3 0.260 122.7 85.0 -95.9 14.7 0.3 24.2 51.3 57 57 A M E < -GH 39 54D 56 -3,-2.0 -3,-2.6 -18,-0.3 2,-0.3 -0.889 52.6-169.2-120.5 147.5 -2.3 26.2 53.2 58 58 A S E -GH 38 53D 7 -20,-2.6 -20,-2.4 -2,-0.3 2,-0.4 -0.954 8.1-156.5-130.0 151.4 -6.1 26.1 53.3 59 59 A A E -GH 37 52D 0 -7,-2.8 -7,-2.0 -2,-0.3 2,-0.6 -0.987 10.0-150.2-135.5 139.4 -8.5 28.6 54.8 60 60 A M E -G 36 0D 0 -24,-2.5 -24,-2.3 -2,-0.4 2,-0.3 -0.927 24.2-135.8-106.8 118.2 -12.0 28.4 56.2 61 61 A A E > -G 35 0D 0 -2,-0.6 5,-0.5 -11,-0.3 -26,-0.2 -0.570 17.8-161.0 -76.9 132.9 -14.0 31.6 55.8 62 62 A L T > 5 + 0 0 2 -28,-2.8 3,-1.3 -2,-0.3 4,-0.3 -0.069 61.8 41.0 -93.0-160.5 -16.1 32.7 58.8 63 63 A G B 3 5S-I 169 0E 3 106,-2.5 106,-2.5 1,-0.2 3,-0.2 -0.358 132.1 -39.3 57.5-136.7 -18.9 35.2 58.6 64 64 A F T >>5S+ 0 0 17 104,-0.2 3,-1.6 1,-0.1 4,-0.8 0.466 113.5 104.6 -98.3 -6.0 -21.0 34.5 55.5 65 65 A G T <45S+ 0 0 1 -3,-1.3 3,-0.4 1,-0.3 -1,-0.1 0.786 79.2 43.6 -45.9 -44.5 -18.0 33.7 53.3 66 66 A A T 34 - 0 0 45 5,-1.9 3,-2.2 -2,-0.4 5,-0.0 -0.347 42.0 -94.5 -74.3 163.8 -5.6 38.3 50.9 82 82 A A T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.883 127.4 41.3 -46.1 -52.2 -2.0 36.9 50.4 83 83 A G T 3 S- 0 0 55 1,-0.1 -1,-0.3 -46,-0.0 -29,-0.1 0.411 110.5-121.1 -80.6 4.2 -2.0 35.0 53.7 84 84 A L S < S+ 0 0 12 -3,-2.2 -2,-0.1 2,-0.2 -32,-0.1 0.586 77.4 126.1 67.3 13.1 -5.6 33.9 53.1 85 85 A K + 0 0 47 1,-0.1 -50,-2.3 -51,-0.1 2,-0.4 0.689 67.5 38.4 -75.3 -20.2 -6.5 35.6 56.4 86 86 A R E -E 34 0C 72 -52,-0.2 -5,-1.9 -25,-0.1 2,-0.4 -0.996 64.4-162.9-137.0 138.8 -9.3 37.7 54.9 87 87 A M E -EF 33 80C 0 -54,-3.0 -54,-2.6 -2,-0.4 2,-0.4 -0.955 3.5-168.9-121.4 138.6 -12.0 37.1 52.3 88 88 A R E -EF 32 79C 68 -9,-2.6 -9,-2.0 -2,-0.4 2,-0.5 -0.969 8.7-155.0-124.6 140.8 -14.1 39.5 50.4 89 89 A I E -EF 31 78C 0 -58,-2.7 -59,-3.4 -2,-0.4 -58,-1.4 -0.981 17.9-178.9-116.1 122.4 -17.1 38.8 48.2 90 90 A F E -EF 29 77C 29 -13,-2.2 -13,-2.7 -2,-0.5 -61,-0.2 -0.925 27.9-117.5-120.5 146.4 -17.8 41.4 45.5 91 91 A T E - 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