==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-JAN-99 1EAM . COMPND 2 MOLECULE: PROTEIN (VP39); . SOURCE 2 ORGANISM_SCIENTIFIC: VACCINIA VIRUS; . AUTHOR G.HU,A.E.HODEL,P.D.GERSHON,F.A.QUIOCHO . 286 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13540.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 7.3 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 . 0 0.0 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 . 20 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 0 0 0 0 0 1 1 0 1 0 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 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 PARALLEL BRIDGES PER LADDER . 2 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 0 199 0, 0.0 2,-2.0 0, 0.0 235,-0.1 0.000 360.0 360.0 360.0 136.7 20.2 30.3 41.4 2 2 A D + 0 0 66 233,-0.3 235,-2.5 234,-0.0 2,-0.1 -0.439 360.0 177.3 -79.5 69.4 19.8 30.8 37.6 3 3 A V E +a 237 0A 76 -2,-2.0 2,-0.3 233,-0.2 235,-0.2 -0.443 6.1 155.7 -80.8 148.9 18.1 34.2 37.9 4 4 A V E -a 238 0A 43 233,-2.7 235,-1.9 -2,-0.1 236,-0.8 -0.972 37.3-123.9-162.0 164.1 17.1 36.4 34.9 5 5 A S - 0 0 82 -2,-0.3 2,-0.3 233,-0.2 233,-0.1 -0.983 32.3-179.2-118.3 129.3 14.8 39.2 33.7 6 6 A L - 0 0 35 -2,-0.4 -2,-0.0 1,-0.1 234,-0.0 -0.980 29.0-155.7-133.2 147.6 12.5 38.5 30.7 7 7 A D S S- 0 0 140 1,-0.4 -1,-0.1 -2,-0.3 0, 0.0 0.907 82.5 -19.4 -80.7 -52.2 10.0 40.5 28.8 8 8 A K S S- 0 0 114 247,-0.0 -1,-0.4 0, 0.0 2,-0.1 -0.961 71.4-105.0-153.6 159.5 8.1 37.5 27.4 9 9 A P - 0 0 1 0, 0.0 2,-0.5 0, 0.0 240,-0.0 -0.373 45.2 -90.6 -85.9 171.1 8.7 33.8 27.0 10 10 A F + 0 0 19 1,-0.2 3,-0.1 -2,-0.1 4,-0.0 -0.758 45.5 177.6 -78.3 121.9 9.4 32.1 23.6 11 11 A M + 0 0 24 -2,-0.5 176,-2.9 1,-0.2 2,-0.3 0.741 62.5 32.4 -96.6 -31.3 5.8 31.2 22.5 12 12 A Y B >> S-C 186 0B 48 174,-0.2 3,-1.9 1,-0.1 4,-0.6 -0.915 83.6-112.0-128.2 154.2 6.7 29.6 19.1 13 13 A F G >4 S+ 0 0 16 172,-2.2 3,-1.6 -2,-0.3 -1,-0.1 0.875 113.3 62.1 -47.6 -48.5 9.7 27.7 17.8 14 14 A E G 34 S+ 0 0 108 1,-0.3 -1,-0.3 171,-0.1 170,-0.0 0.672 94.6 63.9 -54.1 -24.1 10.8 30.5 15.5 15 15 A E G <4 + 0 0 85 -3,-1.9 -1,-0.3 2,-0.0 -2,-0.2 0.791 69.9 109.5 -75.2 -30.2 11.3 32.8 18.5 16 16 A I << - 0 0 5 -3,-1.6 210,-0.1 -4,-0.6 209,-0.0 -0.293 52.1-165.4 -53.5 115.1 14.1 30.7 20.0 17 17 A D + 0 0 106 -2,-0.1 2,-0.3 208,-0.1 -1,-0.1 -0.088 58.9 35.5 -97.3 32.7 17.2 33.0 19.5 18 18 A N - 0 0 84 207,-0.1 2,-0.3 2,-0.0 211,-0.2 -0.972 60.5-147.7-174.4 159.8 20.0 30.5 20.2 19 19 A E - 0 0 84 -2,-0.3 2,-0.3 209,-0.1 206,-0.2 -0.938 1.6-158.1-139.9 162.9 21.1 26.9 19.9 20 20 A L - 0 0 51 204,-2.2 2,-0.9 -2,-0.3 207,-0.3 -0.998 35.8-102.9-141.8 143.1 23.2 24.3 21.7 21 21 A D - 0 0 113 -2,-0.3 203,-0.1 1,-0.1 -2,-0.0 -0.542 52.7-114.0 -69.4 106.5 24.9 21.1 20.5 22 22 A Y - 0 0 116 -2,-0.9 -1,-0.1 1,-0.1 202,-0.1 -0.195 26.8-145.4 -46.9 119.1 22.5 18.5 21.9 23 23 A E 0 0 112 1,-0.1 -1,-0.1 204,-0.1 -3,-0.0 -0.784 360.0 360.0 -94.3 123.0 24.1 16.4 24.6 24 24 A P 0 0 159 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.879 360.0 360.0 -65.7 360.0 23.0 12.7 24.7 25 ! 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 26 31 A A 0 0 95 0, 0.0 167,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -32.0 12.1 14.2 32.7 27 32 A K - 0 0 121 165,-0.2 164,-0.0 1,-0.1 6,-0.0 -0.995 360.0-175.9-144.4 137.8 9.3 15.5 34.9 28 33 A K S S+ 0 0 118 -2,-0.4 -1,-0.1 2,-0.1 162,-0.0 0.608 71.6 60.0 -99.3 -17.1 9.0 17.3 38.2 29 34 A L S > S- 0 0 26 161,-0.1 3,-1.0 257,-0.0 2,-0.2 -0.833 82.1-111.9-118.0 151.0 5.2 17.4 38.6 30 35 A P T 3 S+ 0 0 55 0, 0.0 -2,-0.1 0, 0.0 254,-0.0 -0.591 104.3 11.4 -79.9 142.4 2.5 14.7 38.9 31 36 A Y T >> S+ 0 0 111 -2,-0.2 4,-1.7 1,-0.1 3,-0.7 0.724 83.2 150.7 62.8 25.2 0.1 14.5 36.0 32 37 A Q H <> + 0 0 4 -3,-1.0 4,-2.9 1,-0.2 5,-0.1 0.824 64.2 58.1 -56.7 -34.6 2.5 16.9 34.2 33 38 A G H 3> S+ 0 0 34 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.856 104.8 47.3 -65.1 -39.4 1.4 15.4 30.8 34 39 A Q H <> S+ 0 0 30 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.843 114.0 50.9 -69.7 -33.4 -2.3 16.2 31.2 35 40 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.961 108.7 49.4 -65.5 -54.0 -1.1 19.7 32.3 36 41 A K H X S+ 0 0 27 -4,-2.9 4,-1.7 154,-0.3 -2,-0.2 0.919 117.3 42.6 -50.3 -49.9 1.2 20.1 29.2 37 42 A L H X S+ 0 0 10 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.865 111.6 53.4 -66.1 -42.9 -1.8 19.0 27.0 38 43 A L H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 5,-0.2 0.936 109.4 48.1 -62.7 -45.3 -4.4 21.1 28.8 39 44 A L H X S+ 0 0 1 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.932 113.7 45.7 -62.5 -48.0 -2.5 24.3 28.4 40 45 A G H X S+ 0 0 4 -4,-1.7 4,-2.6 -5,-0.2 -1,-0.2 0.914 116.2 44.3 -61.1 -45.0 -1.7 23.9 24.7 41 46 A E H X S+ 0 0 6 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.751 112.8 51.3 -72.6 -27.7 -5.2 22.9 23.7 42 47 A L H X S+ 0 0 0 -4,-1.8 4,-1.3 -5,-0.2 -1,-0.2 0.826 112.5 48.4 -73.9 -36.6 -6.9 25.6 25.9 43 48 A F H X S+ 0 0 14 -4,-1.9 4,-1.3 -5,-0.2 -2,-0.2 0.946 114.2 45.2 -66.0 -51.0 -4.5 28.0 24.1 44 49 A F H >X S+ 0 0 1 -4,-2.6 4,-1.8 1,-0.2 3,-0.7 0.963 115.2 45.5 -56.6 -59.6 -5.4 26.7 20.6 45 50 A L H 3X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.763 108.2 57.4 -58.0 -32.2 -9.2 26.6 21.2 46 51 A S H 3X S+ 0 0 0 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.839 105.8 52.1 -67.0 -33.8 -9.2 30.1 22.8 47 52 A K H S+ 0 0 0 -4,-1.8 5,-2.6 1,-0.2 6,-0.5 0.869 109.5 52.5 -57.5 -38.9 -10.3 29.8 17.4 49 54 A Q H ><5S+ 0 0 52 -4,-1.6 3,-1.7 1,-0.2 -1,-0.2 0.912 105.4 54.5 -62.2 -43.7 -13.0 31.3 19.6 50 55 A R H 3<5S+ 0 0 115 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.760 110.2 47.7 -61.1 -28.3 -11.3 34.7 19.1 51 56 A H T 3<5S- 0 0 102 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.381 114.1-118.4 -93.1 -1.2 -11.6 34.1 15.4 52 57 A G T < 5S+ 0 0 61 -3,-1.7 -3,-0.2 -4,-0.2 -2,-0.1 0.707 84.7 111.0 71.2 23.4 -15.3 33.1 15.6 53 58 A I < + 0 0 51 -5,-2.6 -4,-0.2 -6,-0.1 107,-0.1 0.322 59.1 68.5-112.5 13.5 -14.7 29.6 14.3 54 59 A L S > S+ 0 0 0 -6,-0.5 3,-2.2 -5,-0.1 2,-0.1 0.885 72.4 89.2 -95.0 -46.9 -15.3 27.5 17.4 55 60 A D T 3 S+ 0 0 102 1,-0.3 29,-0.2 -7,-0.1 3,-0.1 -0.319 101.8 10.8 -60.8 122.5 -19.1 27.9 18.1 56 61 A G T 3 S+ 0 0 48 27,-3.9 71,-0.5 1,-0.3 -1,-0.3 0.497 99.8 126.1 89.4 5.8 -21.1 25.2 16.3 57 62 A A < - 0 0 1 -3,-2.2 28,-1.7 26,-0.5 2,-0.5 -0.493 59.4-127.6 -94.4 162.7 -18.0 23.2 15.3 58 63 A T E -de 85 128B 1 69,-2.6 71,-2.4 26,-0.2 2,-0.7 -0.956 19.6-144.4-107.1 126.1 -17.4 19.5 16.0 59 64 A V E -de 86 129B 0 26,-3.6 28,-2.9 -2,-0.5 2,-0.8 -0.879 11.4-164.3 -94.6 113.9 -14.1 18.9 17.6 60 65 A V E -de 87 130B 0 69,-2.7 71,-2.7 -2,-0.7 2,-0.6 -0.901 7.1-174.2-101.0 105.6 -12.6 15.6 16.4 61 66 A Y E -de 88 131B 0 26,-2.4 28,-2.9 -2,-0.8 2,-0.5 -0.933 2.8-168.6-104.3 115.2 -9.9 14.6 18.8 62 67 A I E S+de 89 132B 0 69,-2.7 71,-2.4 -2,-0.6 72,-0.4 -0.924 75.4 24.5-107.6 128.3 -8.0 11.5 17.5 63 68 A G S S+ 0 0 0 26,-2.7 -1,-0.2 -2,-0.5 27,-0.2 0.885 82.0 146.2 81.3 44.4 -5.6 9.8 20.0 64 69 A S + 0 0 0 25,-0.8 6,-0.2 -3,-0.4 26,-0.1 0.520 22.8 145.5 -90.8 -12.0 -7.7 11.3 22.9 65 70 A A + 0 0 0 1,-0.2 29,-0.2 24,-0.1 2,-0.1 -0.608 67.7 9.7 -88.7 142.2 -7.4 8.6 25.6 66 71 A P S S+ 0 0 42 0, 0.0 29,-2.6 0, 0.0 -1,-0.2 -0.904 82.1 173.0 -66.8 -34.9 -7.2 8.6 28.5 67 72 A G >> + 0 0 0 27,-0.2 3,-1.4 -4,-0.1 4,-0.8 0.742 13.1 154.5 72.6 30.6 -8.1 12.3 28.1 68 73 A T H >> S+ 0 0 35 1,-0.3 3,-1.1 2,-0.2 4,-0.6 0.899 75.4 51.7 -53.6 -47.3 -8.6 13.3 31.7 69 74 A H H 3> S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.665 94.8 71.9 -65.2 -22.4 -7.7 16.9 30.9 70 75 A I H <> S+ 0 0 0 -3,-1.4 4,-2.9 1,-0.2 -1,-0.2 0.849 88.1 62.9 -64.0 -31.3 -10.3 17.0 28.1 71 76 A R H S+ 0 0 1 -4,-1.8 5,-2.2 2,-0.2 4,-0.7 0.844 116.8 55.2 -75.6 -31.8 -16.2 26.0 26.9 78 83 A Y H ><5S+ 0 0 119 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.918 109.4 47.2 -65.8 -42.3 -19.6 24.5 27.9 79 84 A N H 3<5S+ 0 0 107 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.734 107.1 58.0 -72.0 -24.5 -19.7 26.9 30.9 80 85 A L H 3<5S- 0 0 37 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.638 118.1-111.9 -77.4 -18.4 -18.8 29.8 28.6 81 86 A G T <<5 + 0 0 49 -3,-0.8 2,-0.3 -4,-0.7 -3,-0.2 0.535 67.2 145.5 99.3 5.0 -21.8 29.1 26.4 82 87 A V < - 0 0 15 -5,-2.2 2,-0.7 -27,-0.1 -1,-0.4 -0.596 46.6-135.3 -77.0 136.8 -19.9 27.9 23.3 83 88 A I + 0 0 112 -2,-0.3 -27,-3.9 -3,-0.1 -26,-0.5 -0.891 40.9 153.8 -97.3 110.8 -21.8 25.2 21.5 84 89 A I - 0 0 13 -2,-0.7 2,-0.4 -29,-0.2 -26,-0.2 -0.982 34.7-146.7-137.7 146.9 -19.3 22.4 20.6 85 90 A K E -d 58 0B 97 -28,-1.7 -26,-3.6 -2,-0.3 2,-0.4 -0.954 18.5-149.1-112.8 135.9 -19.7 18.7 19.9 86 91 A W E -df 59 104B 5 17,-3.1 19,-2.8 -2,-0.4 2,-0.4 -0.893 13.4-174.0-108.5 136.2 -16.7 16.6 20.9 87 92 A M E -df 60 105B 14 -28,-2.9 -26,-2.4 -2,-0.4 2,-0.6 -0.917 8.2-171.7-129.0 101.1 -15.8 13.4 19.1 88 93 A L E -df 61 106B 1 17,-2.9 19,-3.3 -2,-0.4 2,-0.5 -0.867 4.7-175.2-102.2 116.5 -13.0 11.6 20.9 89 94 A I E +df 62 107B 0 -28,-2.9 -26,-2.7 -2,-0.6 -25,-0.8 -0.950 19.9 132.3-116.9 126.2 -11.6 8.6 18.9 90 95 A D E - f 0 108B 0 17,-2.1 19,-1.2 -2,-0.5 20,-0.2 -0.966 55.4-127.8-163.9 153.8 -9.0 6.2 20.3 91 96 A G S S+ 0 0 20 -2,-0.3 2,-0.2 17,-0.3 19,-0.2 0.649 95.2 71.2 -79.4 -21.7 -8.5 2.5 20.4 92 97 A R S S- 0 0 125 17,-0.1 2,-0.2 1,-0.1 17,-0.2 -0.593 95.8 -96.9 -88.7 160.1 -7.8 2.8 24.2 93 98 A H - 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