==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 08-AUG-11 3ZX9 . COMPND 2 MOLECULE: CAPSID PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: TURNIP CRINKLE VIRUS; . AUTHOR S.E.BAKKER,J.ROBOTTOM,A.R.PEARSON,P.G.STOCKLEY,N.A.RANSON . 828 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44858.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 40.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 104 12.6 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 . 3 0.4 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 . 4 0.5 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 . 105 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 0.7 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+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 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 . 31 9 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 3 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 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 81 A G 0 0 64 0, 0.0 155,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 166.3 -13.7 40.2 127.2 2 82 A I - 0 0 47 153,-0.3 2,-0.2 154,-0.0 154,-0.0 0.032 360.0-152.5-104.5-106.2 -15.4 43.4 127.7 3 83 A T - 0 0 50 151,-0.1 2,-0.2 152,-0.1 151,-0.2 -0.994 9.4-161.2 147.9-175.2 -13.1 47.0 128.4 4 84 A R - 0 0 86 149,-0.9 2,-0.3 -2,-0.2 35,-0.0 -0.867 11.2-136.8-161.8-168.3 -13.1 50.5 130.0 5 85 A S - 0 0 83 -2,-0.2 147,-0.4 147,-0.2 145,-0.1 -0.925 35.0 -94.9-165.9 144.3 -11.5 54.0 130.1 6 86 A G + 0 0 15 145,-3.3 144,-0.2 -2,-0.3 48,-0.0 0.267 45.7 141.8 -59.0-174.4 -10.5 56.2 133.1 7 87 A S + 0 0 70 142,-1.0 2,-0.3 1,-0.0 143,-0.1 0.424 33.6 125.2 130.4 82.0 -12.1 59.0 135.1 8 88 A E - 0 0 25 28,-0.1 141,-0.4 29,-0.1 2,-0.3 -0.871 49.4-139.2-145.8 162.8 -11.3 58.9 138.8 9 89 A L - 0 0 90 -2,-0.3 2,-1.4 139,-0.2 139,-0.3 -0.712 15.3-158.7-136.0 84.0 -9.8 61.3 141.2 10 90 A I - 0 0 16 -2,-0.3 138,-0.1 25,-0.1 24,-0.0 -0.117 45.4 -77.1 -57.1 39.0 -7.5 59.4 143.5 11 91 A T - 0 0 58 -2,-1.4 2,-0.2 136,-0.2 136,-0.2 0.203 54.5-109.4 70.3 152.9 -7.1 61.9 147.1 12 92 A T - 0 0 67 1,-0.3 134,-0.1 134,-0.1 2,-0.1 -0.708 12.6-111.7-126.4 175.6 -4.9 65.0 147.4 13 93 A L - 0 0 21 132,-0.4 -1,-0.3 -2,-0.2 2,-0.2 0.119 20.4-146.7-109.3-163.8 -2.5 66.1 148.6 14 94 A K - 0 0 182 1,-0.6 129,-0.1 122,-0.1 122,-0.1 -0.755 43.5 -75.3-167.9 115.0 -2.1 68.8 151.4 15 95 A K - 0 0 70 127,-0.9 -1,-0.6 -2,-0.2 121,-0.1 0.282 32.4-162.2 21.0-154.0 0.7 71.4 151.8 16 96 A N + 0 0 14 -3,-0.1 2,-7.5 121,-0.1 4,-0.3 0.210 9.8 179.3 158.6 10.5 4.0 70.2 153.1 17 97 A T + 0 0 94 122,-0.2 122,-0.3 120,-0.1 2,-0.2 0.205 57.4 99.9 -30.0 49.4 5.6 73.5 154.2 18 98 A D S S- 0 0 83 -2,-7.5 120,-0.2 120,-1.3 0, 0.0 -0.889 81.2-117.0-141.1 167.2 8.5 71.1 155.2 19 99 A T S S+ 0 0 133 -2,-0.2 -2,-0.1 118,-0.1 118,-0.1 0.124 93.7 58.6-101.2 22.7 12.1 70.0 153.7 20 100 A E S S- 0 0 104 -4,-0.3 116,-0.1 118,-0.1 118,-0.1 -0.996 88.8-116.8-141.2 119.4 11.5 66.2 153.2 21 101 A P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 116,-0.1 -0.178 22.3-149.6 -55.2-162.0 8.7 65.0 150.9 22 102 A K - 0 0 105 63,-0.0 114,-0.6 112,-0.0 2,-0.2 -0.806 12.0-143.2-172.6 121.4 5.9 63.0 152.2 23 103 A Y B -A 135 0A 49 -2,-0.3 112,-0.2 60,-0.2 110,-0.0 -0.660 24.1-168.4-107.7 150.1 4.0 60.3 150.2 24 104 A T - 0 0 54 110,-1.3 108,-0.1 -2,-0.2 111,-0.1 0.159 28.1-167.8-113.8 9.7 0.4 59.0 149.8 25 105 A T - 0 0 34 109,-0.2 2,-0.4 1,-0.1 108,-0.3 0.416 5.3-161.9 -5.0 117.9 1.4 56.0 147.8 26 106 A A B -B 132 0B 13 106,-0.8 106,-5.3 104,-0.0 2,-0.2 -0.979 12.8-122.9-123.1 132.5 -1.9 54.6 146.4 27 107 A V - 0 0 35 -2,-0.4 2,-0.5 104,-0.3 104,-0.2 -0.489 15.9-142.2 -85.7 143.9 -2.3 51.0 145.1 28 108 A L + 0 0 2 102,-0.2 102,-0.2 -2,-0.2 50,-0.1 -0.913 41.8 120.4-113.8 120.8 -3.4 49.9 141.6 29 109 A N S S- 0 0 2 -2,-0.5 3,-0.3 99,-0.1 99,-0.1 -0.895 73.5 -99.1-169.5 143.4 -5.6 46.9 140.8 30 110 A P S S+ 0 0 9 0, 0.0 2,-0.5 0, 0.0 5,-0.1 0.796 120.7 37.5 -42.8 -28.9 -9.0 46.7 139.2 31 111 A S S S+ 0 0 41 1,-0.1 87,-0.3 9,-0.1 6,-0.1 -0.815 77.4 102.5-132.5 95.4 -10.4 46.4 142.7 32 112 A E - 0 0 71 -2,-0.5 4,-0.2 -3,-0.3 -1,-0.1 -0.393 52.7-159.4-160.0 66.1 -8.7 48.5 145.4 33 113 A P S > S+ 0 0 16 0, 0.0 2,-4.7 0, 0.0 3,-4.5 0.646 83.4 80.8 -44.2 -37.4 -11.1 51.4 145.8 34 114 A G T 3 S+ 0 0 16 1,-0.3 -7,-0.1 2,-0.1 3,-0.1 0.223 113.4 25.6 -51.2 27.0 -8.5 53.6 147.3 35 115 A T T 3 S+ 0 0 3 -2,-4.7 -1,-0.3 -3,-0.1 -25,-0.1 0.209 132.5 31.7-176.0 15.8 -7.8 53.9 143.5 36 116 A F < + 0 0 3 -3,-4.5 -4,-0.3 -4,-0.2 3,-0.3 -0.367 44.0 163.2 173.3 98.5 -11.1 53.2 141.8 37 117 A N S S+ 0 0 99 1,-0.2 2,-0.1 2,-0.1 -3,-0.1 0.404 83.6 48.6-100.9 -3.8 -14.5 54.0 143.2 38 118 A Q S S+ 0 0 120 -5,-0.1 -1,-0.2 1,-0.0 0, 0.0 -0.581 114.0 34.4-139.2 71.3 -16.2 53.6 139.8 39 119 A L S > S+ 0 0 6 -3,-0.3 3,-0.8 -2,-0.1 -2,-0.1 0.161 89.6 88.7 163.6 -7.3 -15.1 50.4 138.3 40 120 A I T 3 S+ 0 0 47 1,-0.2 -9,-0.1 2,-0.1 -4,-0.0 0.036 83.7 66.5 -92.6 20.9 -14.7 48.3 141.4 41 121 A K T 3 S+ 0 0 142 1,-0.0 -1,-0.2 2,-0.0 -10,-0.1 0.234 98.1 47.6-123.1 1.4 -18.4 47.6 140.6 42 122 A E S < S+ 0 0 46 -3,-0.8 -2,-0.1 1,-0.1 -1,-0.0 -0.098 95.0 71.3-137.5 32.7 -17.8 45.7 137.4 43 123 A A S S+ 0 0 21 118,-0.1 117,-0.1 2,-0.1 74,-0.1 -0.010 75.4 82.8-133.7 18.0 -15.0 43.3 138.5 44 124 A A S S+ 0 0 30 1,-0.1 117,-6.2 115,-0.1 3,-0.1 0.032 96.4 45.2-106.5 16.1 -17.4 41.3 140.6 45 125 A Q S S+ 0 0 106 115,-0.4 114,-3.6 114,-0.1 2,-0.2 0.233 118.1 35.0-140.3 -0.2 -18.3 39.5 137.4 46 126 A Y B -C 158 0C 41 112,-0.3 114,-0.3 113,-0.2 111,-0.2 -0.798 57.8-150.5-143.3-175.3 -14.8 38.9 136.0 47 127 A E + 0 0 62 109,-1.5 2,-0.2 110,-0.7 69,-0.1 -0.517 60.1 43.6-170.6 94.6 -11.2 38.2 137.0 48 128 A K - 0 0 41 -2,-0.1 2,-0.3 79,-0.1 108,-0.3 -0.454 58.7-160.8 140.1 149.1 -8.2 39.3 135.0 49 129 A Y B -D 115 0D 3 66,-2.2 66,-1.5 106,-0.2 106,-0.2 -0.980 24.8-157.6-178.4 171.9 -7.0 42.4 133.2 50 130 A R - 0 0 55 104,-0.4 63,-0.2 -2,-0.3 103,-0.2 0.803 12.5-155.7 -94.4 -82.8 -5.3 44.5 131.1 51 131 A F + 0 0 7 59,-0.1 102,-0.2 61,-0.1 3,-0.1 0.546 18.0 167.1 68.8 133.9 -4.6 48.2 131.2 52 132 A T S S+ 0 0 89 100,-1.0 2,-0.3 1,-0.4 101,-0.1 0.300 72.4 28.5-146.3 -20.9 -3.9 49.8 127.8 53 133 A S B +E 152 0E 35 99,-0.8 99,-1.4 96,-0.0 -1,-0.4 -0.978 65.0 138.5-150.9 133.7 -4.3 53.4 128.9 54 134 A L + 0 0 5 -2,-0.3 54,-0.9 97,-0.3 2,-0.3 -0.649 10.6 154.3 179.2 119.0 -3.7 55.0 132.3 55 135 A R B -F 107 0F 109 95,-0.2 95,-4.5 -2,-0.2 2,-0.5 -0.971 30.4-133.7-147.6 154.1 -2.1 58.3 133.2 56 136 A F - 0 0 0 50,-0.9 2,-0.4 -2,-0.3 50,-0.4 -0.963 17.8-160.7-118.9 127.4 -2.4 60.7 136.2 57 137 A R - 0 0 109 -2,-0.5 2,-1.7 48,-0.2 91,-0.3 -0.860 18.4-137.9-108.4 138.3 -2.7 64.4 135.7 58 138 A Y B -G 104 0G 1 46,-2.2 46,-0.9 -2,-0.4 89,-0.2 -0.748 26.6-150.1 -90.2 81.5 -2.0 67.1 138.3 59 139 A S - 0 0 24 87,-1.8 2,-0.4 -2,-1.7 87,-0.2 -0.123 15.2-130.9 -40.0 154.6 -4.8 69.0 137.4 60 140 A P + 0 0 68 0, 0.0 2,-0.2 0, 0.0 85,-0.1 -0.771 46.8 148.3-118.0 89.8 -3.6 72.3 138.3 61 141 A M + 0 0 113 -2,-0.4 82,-0.1 83,-0.2 40,-0.1 -0.421 48.4 79.6-124.2 59.8 -6.1 74.5 140.6 62 142 A S S S- 0 0 17 38,-0.2 4,-0.2 -2,-0.2 82,-0.0 -0.822 77.8-108.1-165.8 122.1 -3.9 76.7 142.8 63 143 A P - 0 0 103 0, 0.0 3,-0.5 0, 0.0 39,-0.1 0.121 27.6-112.2 -54.2 167.4 -2.1 80.0 141.9 64 144 A S S S+ 0 0 78 1,-0.3 37,-0.1 37,-0.2 38,-0.0 0.617 101.8 90.9 -76.2 -18.5 1.7 80.4 141.5 65 145 A T S S+ 0 0 141 36,-0.0 2,-0.3 2,-0.0 -1,-0.3 0.432 90.5 61.9 -58.3 6.2 1.9 82.6 144.6 66 146 A T S S+ 0 0 9 -3,-0.5 2,-0.3 -4,-0.2 35,-0.2 -0.921 72.0 159.4-130.3 153.6 2.5 79.0 145.9 67 147 A G + 0 0 29 73,-0.3 72,-0.7 -2,-0.3 73,-0.5 -0.979 19.6 104.2-165.9 176.7 5.3 76.6 145.0 68 148 A G - 0 0 45 -2,-0.3 2,-0.3 70,-0.2 70,-0.2 -0.950 69.3 -62.8 145.1-118.1 7.5 73.5 145.7 69 149 A K - 0 0 31 68,-0.4 68,-0.4 -2,-0.3 30,-0.2 -0.966 21.0-152.9-159.3 163.1 7.0 70.2 143.9 70 150 A V - 0 0 2 28,-1.5 66,-0.3 -2,-0.3 29,-0.1 -0.450 23.0-157.2-143.1 62.0 4.5 67.4 143.5 71 151 A A + 0 0 0 26,-0.1 64,-0.7 63,-0.1 26,-0.2 0.091 19.1 169.6 -34.5 154.3 6.4 64.2 142.7 72 152 A L + 0 0 1 62,-0.2 24,-0.6 2,-0.0 2,-0.3 -0.425 12.4 134.9 179.3 94.2 4.2 61.7 140.9 73 153 A A - 0 0 2 22,-0.2 2,-0.2 60,-0.1 22,-0.1 -0.958 40.2-131.3-153.9 134.2 5.6 58.5 139.3 74 154 A F - 0 0 8 -2,-0.3 2,-0.4 33,-0.1 58,-0.2 -0.475 8.2-154.6 -91.9 155.2 4.4 54.9 139.4 75 155 A D - 0 0 48 56,-1.4 56,-0.2 1,-0.2 4,-0.1 -0.908 16.7-139.2-131.5 100.5 6.5 51.8 140.2 76 156 A R S S+ 0 0 120 -2,-0.4 2,-3.4 1,-0.2 -1,-0.2 0.742 98.8 73.8 -17.4 -72.5 5.2 48.5 138.7 77 157 A D S S- 0 0 70 1,-0.2 2,-0.5 53,-0.2 53,-0.4 -0.227 77.8-169.9 -51.4 72.7 6.2 46.8 141.9 78 158 A A + 0 0 2 -2,-3.4 2,-0.3 51,-1.1 52,-0.3 0.221 59.5 61.2 -59.2 14.3 3.2 48.5 143.4 79 159 A A + 0 0 24 -2,-0.5 -1,-0.1 50,-0.2 -2,-0.0 -0.877 63.2 86.3-156.0 125.7 4.2 47.5 146.9 80 160 A K S S- 0 0 143 -2,-0.3 51,-0.0 3,-0.0 50,-0.0 -0.757 82.5 -60.5 156.7 153.0 7.2 48.2 149.1 81 161 A P - 0 0 105 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.253 48.2-126.5 -57.4 139.4 8.1 51.1 151.4 82 162 A P - 0 0 39 0, 0.0 3,-0.0 0, 0.0 7,-0.0 -0.375 45.5-103.0 -67.1 161.4 8.2 54.4 149.7 83 163 A P - 0 0 32 0, 0.0 -60,-0.2 0, 0.0 3,-0.1 -0.155 12.9-125.6 -67.7-156.8 11.5 55.6 150.7 84 164 A N S S+ 0 0 112 1,-0.1 2,-0.4 -3,-0.1 -61,-0.0 0.480 88.2 60.8-109.7 -36.8 12.0 57.9 153.2 85 165 A D S S- 0 0 78 1,-0.1 4,-0.5 -65,-0.1 3,-0.4 -0.906 71.4-131.9-125.7 144.2 14.0 60.1 150.9 86 166 A L S >> S+ 0 0 56 -2,-0.4 3,-4.2 2,-0.3 4,-2.3 0.876 104.9 53.8 -33.5 -87.0 13.7 62.0 147.7 87 167 A A T 34 S+ 0 0 48 1,-0.3 -1,-0.3 2,-0.3 5,-0.1 0.805 110.2 55.6 -24.3 -45.8 16.8 61.0 145.7 88 168 A S T >4 S+ 0 0 43 -3,-0.4 3,-0.5 1,-0.2 -1,-0.3 0.893 115.8 34.7 -54.7 -45.8 15.3 57.7 146.5 89 169 A L G X4 S+ 0 0 6 -3,-4.2 3,-2.1 -4,-0.5 2,-0.3 0.911 113.2 59.4 -73.4 -46.4 12.1 58.9 144.9 90 170 A Y G 3< S+ 0 0 105 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.054 103.9 54.8 -75.3 24.2 13.9 61.0 142.3 91 171 A N G < S+ 0 0 126 -3,-0.5 2,-0.7 -5,-0.4 -1,-0.3 0.374 87.2 85.3-134.1 -9.7 15.6 57.7 141.1 92 172 A I S X S- 0 0 37 -3,-2.1 3,-0.7 1,-0.3 -1,-0.1 -0.883 87.3-116.9-104.2 108.7 12.4 55.7 140.5 93 173 A E T 3 S+ 0 0 70 -2,-0.7 2,-3.1 1,-0.2 -1,-0.3 0.521 86.0 96.8 -12.6-136.6 11.1 56.3 137.0 94 174 A G T 3 - 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