==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 12-OCT-09 3K7B . COMPND 2 MOLECULE: PROTEIN A33; . SOURCE 2 ORGANISM_SCIENTIFIC: VACCINIA VIRUS WR; . AUTHOR H.P.SU,D.N.GARBOCZI . 171 4 4 2 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10004.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 19.3 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 . 2 1.2 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 . 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 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 14.0 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+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 4 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 1 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 98 A E 0 0 222 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 7.5 -5.8 1.9 4.8 2 99 A S + 0 0 104 2,-0.1 2,-0.8 1,-0.0 0, 0.0 0.008 360.0 112.8 -85.3 29.3 -7.1 -1.4 6.1 3 100 A a - 0 0 18 2,-0.1 2,-1.8 8,-0.0 4,-0.1 -0.860 47.4-168.1-107.4 101.8 -10.7 -0.6 5.2 4 101 A N S S+ 0 0 92 -2,-0.8 2,-0.3 2,-0.1 -2,-0.1 -0.552 71.4 24.6 -86.5 72.8 -12.0 -2.9 2.4 5 102 A G S S- 0 0 8 -2,-1.8 2,-0.4 91,-0.1 91,-0.3 -0.951 113.6 -14.9 168.6-151.1 -15.1 -0.8 1.8 6 103 A L E -A 13 0A 0 7,-2.1 7,-3.7 -2,-0.3 2,-0.5 -0.683 53.7-162.6 -84.8 128.4 -16.4 2.7 2.2 7 104 A Y E +A 12 0A 113 -2,-0.4 2,-0.3 87,-0.3 5,-0.2 -0.954 21.9 154.7-112.9 123.9 -14.3 4.9 4.5 8 105 A Y E > -A 11 0A 54 3,-2.9 3,-1.0 -2,-0.5 -2,-0.0 -0.921 61.8 -10.1-155.1 124.9 -16.0 8.0 5.8 9 106 A Q T 3 S- 0 0 151 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.940 127.3 -50.8 55.4 52.6 -15.5 10.2 8.9 10 107 A G T 3 S+ 0 0 21 1,-0.2 75,-3.3 74,-0.1 2,-0.3 0.636 119.0 109.1 63.5 13.6 -13.2 7.8 10.6 11 108 A S E < -AB 8 84A 23 -3,-1.0 -3,-2.9 73,-0.3 2,-0.5 -0.924 59.6-141.9-123.7 149.6 -15.6 4.9 10.1 12 109 A a E -AB 7 83A 9 71,-3.0 71,-1.5 -2,-0.3 2,-0.7 -0.948 8.4-156.5-114.7 121.4 -15.5 1.9 7.8 13 110 A Y E -AB 6 82A 8 -7,-3.7 -7,-2.1 -2,-0.5 2,-0.6 -0.866 10.8-163.5 -98.1 111.8 -18.7 0.7 6.1 14 111 A I E - B 0 81A 61 67,-2.6 67,-2.5 -2,-0.7 2,-0.3 -0.859 15.2-131.5-102.3 123.3 -18.4 -3.0 5.1 15 112 A L E - B 0 80A 23 -2,-0.6 2,-0.6 65,-0.2 65,-0.2 -0.540 14.6-165.1 -75.8 130.0 -20.9 -4.3 2.6 16 113 A H E - B 0 79A 30 63,-2.5 63,-1.5 -2,-0.3 -1,-0.0 -0.941 2.3-167.2-115.1 104.8 -22.7 -7.6 3.4 17 114 A S E + 0 0 41 -2,-0.6 2,-0.3 61,-0.2 -1,-0.1 0.534 53.7 104.1 -72.0 -9.6 -24.3 -8.8 0.1 18 115 A D E S- 0 0 60 61,-0.1 2,-0.3 1,-0.1 59,-0.1 -0.602 75.3-122.5 -77.9 132.9 -26.6 -11.5 1.7 19 116 A Y E + 0 0 143 -2,-0.3 2,-0.3 59,-0.1 59,-0.2 -0.586 41.7 170.2 -74.0 130.5 -30.2 -10.4 1.9 20 117 A Q E - B 0 77A 53 57,-2.4 57,-2.2 -2,-0.3 2,-0.1 -0.962 39.2-106.2-141.0 156.9 -31.5 -10.5 5.4 21 118 A X > - 0 0 69 -2,-0.3 4,-2.0 55,-0.2 3,-0.4 -0.470 50.5-101.2 -73.8 157.4 -34.6 -9.5 7.4 22 119 A F H > S+ 0 0 55 53,-0.5 4,-2.9 50,-0.3 5,-0.2 0.900 118.9 52.5 -47.6 -54.4 -33.8 -6.4 9.5 23 120 A S H > S+ 0 0 86 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.875 110.9 47.6 -52.2 -43.4 -33.3 -8.2 12.8 24 121 A D H > S+ 0 0 76 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.873 112.0 49.2 -68.3 -37.8 -30.9 -10.7 11.4 25 122 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.947 112.0 49.9 -65.2 -46.3 -28.9 -7.9 9.7 26 123 A A H X S+ 0 0 26 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.916 112.6 45.6 -56.9 -48.7 -28.8 -6.0 13.0 27 124 A A H X S+ 0 0 54 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.896 109.2 56.7 -64.4 -40.4 -27.6 -9.0 15.0 28 125 A N H X S+ 0 0 60 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.923 110.1 44.1 -58.2 -44.4 -25.0 -9.8 12.3 29 126 A b H ><>S+ 0 0 1 -4,-2.3 5,-3.0 1,-0.2 3,-0.6 0.902 111.2 53.7 -67.1 -40.3 -23.5 -6.3 12.7 30 127 A T H ><5S+ 0 0 103 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.886 104.6 56.9 -59.8 -37.9 -23.7 -6.5 16.5 31 128 A A H 3<5S+ 0 0 81 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.793 106.3 48.7 -64.3 -29.8 -21.7 -9.8 16.2 32 129 A E T <<5S- 0 0 92 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.036 124.1-104.0 -98.3 25.6 -18.9 -8.1 14.4 33 130 A S T < 5S+ 0 0 91 -3,-1.6 2,-0.2 1,-0.2 -3,-0.2 0.889 88.0 111.0 55.2 42.1 -18.8 -5.3 17.0 34 131 A S < - 0 0 14 -5,-3.0 2,-0.3 -8,-0.1 -1,-0.2 -0.750 55.6-140.8-134.5-179.1 -20.6 -3.0 14.5 35 132 A T B -C 82 0A 83 47,-1.6 47,-3.5 -2,-0.2 3,-0.1 -0.882 31.5 -97.3-137.7 168.0 -23.9 -1.2 13.9 36 133 A L - 0 0 7 -2,-0.3 45,-0.1 45,-0.2 20,-0.1 -0.451 56.1 -85.5 -81.5 162.6 -26.0 -0.5 10.9 37 134 A P - 0 0 2 0, 0.0 20,-2.4 0, 0.0 2,-0.5 -0.291 38.8-124.5 -66.9 158.0 -25.6 2.9 9.2 38 135 A N >> - 0 0 65 18,-0.2 3,-1.5 1,-0.1 4,-1.5 -0.909 10.8-135.5-104.0 128.2 -27.7 5.8 10.6 39 136 A K H 3> S+ 0 0 47 -2,-0.5 4,-2.0 1,-0.3 -1,-0.1 0.844 105.3 54.7 -49.7 -37.0 -29.8 7.6 8.0 40 137 A S H 34 S+ 0 0 108 1,-0.2 -1,-0.3 2,-0.2 0, 0.0 0.764 104.7 52.5 -71.4 -25.6 -28.7 11.0 9.4 41 138 A D H <4 S+ 0 0 79 -3,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.817 117.3 36.2 -79.0 -30.8 -25.0 10.2 9.0 42 139 A V H >< S+ 0 0 0 -4,-1.5 3,-0.8 -3,-0.1 6,-0.7 0.712 88.0 97.7 -97.8 -24.3 -25.2 9.2 5.3 43 140 A X T 3< S+ 0 0 37 -4,-2.0 3,-0.1 1,-0.3 21,-0.1 -0.417 92.5 25.2 -62.2 144.3 -27.8 11.6 3.8 44 141 A I T 3 S+ 0 0 164 1,-0.3 2,-0.3 20,-0.1 -1,-0.3 0.889 108.0 98.2 67.6 38.2 -26.0 14.4 2.1 45 142 A T S X S- 0 0 20 -3,-0.8 3,-1.3 1,-0.0 4,-0.3 -0.969 87.9-109.3-147.9 160.7 -22.8 12.4 1.6 46 143 A W T > S+ 0 0 44 -2,-0.3 3,-0.8 1,-0.3 4,-0.4 0.701 112.7 72.0 -66.3 -14.9 -21.3 10.4 -1.3 47 144 A L T >> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 3,-1.7 0.807 75.2 79.1 -70.2 -29.0 -22.2 7.3 0.7 48 145 A I H <> S+ 0 0 15 -3,-1.3 4,-1.7 -6,-0.7 -1,-0.2 0.781 85.8 59.7 -51.0 -32.0 -25.9 7.7 0.1 49 146 A D H <4 S+ 0 0 43 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.815 112.7 39.0 -67.5 -30.6 -25.6 6.2 -3.4 50 147 A Y H <4 S+ 0 0 22 -3,-1.7 -2,-0.2 -4,-0.4 -1,-0.2 0.858 119.7 42.9 -86.7 -39.4 -24.2 3.0 -1.9 51 148 A V H >< S+ 0 0 0 -4,-2.1 3,-2.2 -9,-0.1 11,-0.5 0.644 80.4 114.3 -85.7 -15.7 -26.3 2.6 1.2 52 149 A E B 3< S+d 62 0B 37 -4,-1.7 11,-0.2 -5,-0.3 3,-0.1 -0.305 84.6 19.6 -58.2 141.2 -29.8 3.5 -0.2 53 150 A D T 3 S+ 0 0 87 9,-3.2 25,-0.4 1,-0.3 2,-0.3 0.478 103.7 106.8 75.4 5.5 -32.1 0.5 -0.0 54 151 A T S < S- 0 0 11 -3,-2.2 8,-2.2 8,-0.2 -1,-0.3 -0.838 85.3 -74.6-110.1 153.2 -29.9 -1.2 2.6 55 152 A W B -E 61 0C 2 23,-1.9 25,-0.4 -2,-0.3 2,-0.2 -0.128 43.3-155.4 -51.3 129.5 -31.0 -1.5 6.2 56 153 A G > - 0 0 0 4,-2.5 3,-1.6 -20,-0.1 -18,-0.2 -0.634 33.1-105.5 -98.5 163.3 -30.7 1.6 8.4 57 154 A S T 3 S+ 0 0 54 -20,-2.4 -19,-0.1 1,-0.3 -1,-0.1 0.642 115.9 65.1 -64.8 -13.4 -30.4 1.3 12.2 58 155 A D T 3 S- 0 0 93 2,-0.3 -1,-0.3 1,-0.0 -20,-0.1 0.236 120.6-100.0 -93.7 12.9 -34.0 2.4 12.6 59 156 A G S < S+ 0 0 17 -3,-1.6 -37,-0.1 1,-0.3 -2,-0.1 0.518 92.7 100.3 85.2 1.9 -35.5 -0.7 11.0 60 157 A N S S- 0 0 71 -6,-0.1 -4,-2.5 -38,-0.1 -1,-0.3 -0.866 80.3-101.0-120.2 156.3 -36.1 0.9 7.6 61 158 A P B -E 55 0C 19 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.418 47.4-105.3 -69.1 152.7 -34.2 0.9 4.4 62 159 A I B -d 52 0B 1 -8,-2.2 -9,-3.2 -11,-0.5 2,-0.3 -0.646 45.0-176.1 -81.1 135.0 -32.1 4.0 3.9 63 160 A T - 0 0 40 -2,-0.3 -20,-0.0 2,-0.3 -15,-0.0 -0.939 38.8-124.5-132.4 155.7 -33.5 6.5 1.3 64 161 A K S S+ 0 0 112 -2,-0.3 -20,-0.1 -21,-0.1 -1,-0.1 0.836 97.6 64.1 -63.6 -32.9 -32.4 9.8 -0.3 65 162 A T S S- 0 0 83 1,-0.0 -2,-0.3 -22,-0.0 2,-0.1 -0.112 89.0-120.0 -82.3-177.8 -35.7 11.2 0.9 66 163 A T + 0 0 110 2,-0.0 -2,-0.1 -2,-0.0 -1,-0.0 -0.540 50.6 174.6-122.5 59.2 -37.0 11.7 4.4 67 164 A S 0 0 88 1,-0.1 -4,-0.0 -2,-0.1 0, 0.0 0.305 360.0 360.0 -55.0-173.3 -40.1 9.5 4.0 68 165 A D 0 0 186 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.900 360.0 360.0-115.5 360.0 -42.7 8.5 6.6 69 ! 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 70 169 A S 0 0 133 0, 0.0 2,-0.7 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 136.8 -44.8 1.1 4.4 71 170 A D + 0 0 119 1,-0.2 3,-0.0 2,-0.1 0, 0.0 -0.528 360.0 151.3 -67.4 108.8 -44.9 -2.4 5.7 72 171 A V > + 0 0 19 -2,-0.7 3,-1.4 1,-0.1 -50,-0.3 0.260 40.9 98.5-122.7 6.7 -41.2 -3.5 5.5 73 172 A S T 3 S+ 0 0 76 1,-0.3 -51,-0.1 -52,-0.1 -1,-0.1 0.729 86.1 50.2 -68.5 -21.3 -41.1 -6.0 8.3 74 173 A Q T 3 S+ 0 0 150 -53,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.284 94.9 101.1 -99.3 10.6 -41.5 -8.8 5.8 75 174 A E < - 0 0 55 -3,-1.4 -53,-0.5 -55,-0.0 2,-0.4 -0.548 56.4-150.6 -96.7 161.1 -38.7 -7.5 3.5 76 175 A V + 0 0 75 -2,-0.2 2,-0.3 -55,-0.2 -55,-0.2 -0.978 24.2 160.7-127.9 140.9 -35.1 -8.7 3.1 77 176 A R E -B 20 0A 52 -57,-2.2 -57,-2.4 -2,-0.4 -23,-0.1 -0.952 39.5 -97.3-151.9 168.7 -32.2 -6.4 2.0 78 177 A K E - 0 0 51 -25,-0.4 -23,-1.9 -2,-0.3 2,-0.3 -0.263 41.8-165.1 -80.1 176.5 -28.5 -6.1 2.0 79 178 A Y E -B 16 0A 0 -63,-1.5 -63,-2.5 -25,-0.2 2,-0.4 -0.986 19.0-130.1-162.5 158.5 -26.8 -4.0 4.7 80 179 A F E -B 15 0A 3 -25,-0.4 2,-0.6 -2,-0.3 -65,-0.2 -0.936 18.0-144.0-114.2 134.7 -23.5 -2.4 5.7 81 180 A b E -B 14 0A 2 -67,-2.5 -67,-2.6 -2,-0.4 2,-0.4 -0.892 19.5-151.1-101.1 128.2 -21.9 -2.9 9.1 82 181 A V E +BC 13 35A 13 -47,-3.5 -47,-1.6 -2,-0.6 2,-0.3 -0.822 19.7 170.0-104.5 140.4 -20.2 0.2 10.4 83 182 A K E -B 12 0A 104 -71,-1.5 -71,-3.0 -2,-0.4 2,-0.1 -0.996 35.1-111.6-147.9 138.9 -17.2 0.3 12.7 84 183 A T E -B 11 0A 109 -2,-0.3 -73,-0.3 -73,-0.2 -74,-0.1 -0.458 36.7-141.8 -70.9 143.1 -14.9 3.1 13.9 85 184 A X 0 0 44 -75,-3.3 -1,-0.1 -2,-0.1 -74,-0.0 0.077 360.0 360.0 -89.0-159.1 -11.3 2.9 12.6 86 185 A N 0 0 217 -75,-0.0 0, 0.0 -2,-0.0 0, 0.0 0.019 360.0 360.0 78.1 360.0 -7.9 3.7 14.1 87 !* 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 88 96 B H 0 0 143 0, 0.0 4,-0.1 0, 0.0 86,-0.0 0.000 360.0 360.0 360.0 93.6 -2.7 9.4 -3.0 89 97 B K + 0 0 201 2,-0.1 2,-0.1 0, 0.0 0, 0.0 0.628 360.0 80.1-120.3 -29.7 -3.5 12.8 -1.5 90 98 B E S S- 0 0 109 1,-0.1 2,-0.2 84,-0.1 0, 0.0 -0.405 89.4 -91.3 -82.1 160.0 -6.9 13.7 -3.1 91 99 B S - 0 0 100 -2,-0.1 2,-0.7 1,-0.1 -1,-0.1 -0.490 27.8-158.1 -72.6 133.1 -10.2 12.5 -1.9 92 100 B c - 0 0 21 -2,-0.2 2,-2.0 2,-0.1 4,-0.1 -0.886 5.3-168.4-111.6 95.5 -11.6 9.3 -3.5 93 101 B N + 0 0 76 -2,-0.7 11,-0.3 2,-0.1 2,-0.3 -0.507 70.0 30.1 -86.0 70.8 -15.3 9.5 -2.9 94 102 B G S S- 0 0 6 -2,-2.0 2,-0.4 9,-0.1 -87,-0.3 -0.921 114.6 -23.8 173.4-152.6 -15.9 5.9 -3.9 95 103 B L E -F 102 0D 0 7,-2.1 7,-3.5 -2,-0.3 2,-0.5 -0.694 52.9-159.9 -88.6 131.4 -14.0 2.7 -3.8 96 104 B Y E +F 101 0D 87 -2,-0.4 2,-0.4 -91,-0.3 5,-0.2 -0.945 16.2 168.8-112.2 125.3 -10.2 2.9 -3.7 97 105 B Y - 0 0 61 3,-2.4 3,-0.4 -2,-0.5 -2,-0.0 -0.910 65.3 -36.7-142.1 111.5 -8.2 -0.1 -4.8 98 106 B Q S S- 0 0 154 -2,-0.4 3,-0.1 1,-0.2 -1,-0.0 0.886 126.2 -33.0 42.1 62.4 -4.5 -0.0 -5.4 99 107 B G S S+ 0 0 30 1,-0.2 2,-0.4 75,-0.0 -1,-0.2 0.702 118.0 100.7 75.2 19.9 -4.2 3.4 -6.9 100 108 B S - 0 0 29 -3,-0.4 -3,-2.4 74,-0.1 2,-0.5 -0.998 57.0-148.5-138.2 133.6 -7.6 3.5 -8.7 101 109 B c E -FG 96 172D 5 71,-3.2 71,-2.0 -2,-0.4 2,-0.7 -0.888 5.5-154.9-106.2 129.3 -10.7 5.2 -7.6 102 110 B Y E -FG 95 171D 16 -7,-3.5 -7,-2.1 -2,-0.5 2,-0.6 -0.902 11.8-163.8-101.9 111.1 -14.1 3.7 -8.5 103 111 B I E - 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