==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 02-JAN-12 3VBR . COMPND 2 MOLECULE: GENOME POLYPROTEIN, CAPSID PROTEIN VP1; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN ENTEROVIRUS 71; . AUTHOR X.WANG,W.PENG,J.REN,Z.HU,J.XU,Z.LOU,X.LI,W.YIN,X.SHEN,C.PORT . 694 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29684.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 406 58.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 184 26.5 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 . 1 0.1 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 . 1 0.1 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 . 74 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 2 3 1 0 1 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 1 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 PARALLEL BRIDGES PER LADDER . 5 4 2 2 7 4 1 1 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 2 1 1 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 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 73 A H 0 0 228 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -19.2 30.5 -7.7 116.4 2 74 A S - 0 0 80 1,-0.1 3,-0.1 681,-0.0 0, 0.0 -0.645 360.0-170.8 -92.5 146.5 34.0 -9.1 115.8 3 75 A T + 0 0 55 -2,-0.3 499,-0.1 1,-0.1 3,-0.1 -0.294 45.3 121.9-128.6 47.6 35.3 -12.4 117.0 4 76 A A S > S+ 0 0 64 1,-0.2 3,-1.3 2,-0.1 6,-0.3 0.862 71.8 59.4 -76.7 -35.8 39.0 -12.3 116.3 5 77 A E T 3 S+ 0 0 66 1,-0.3 -1,-0.2 679,-0.2 -2,-0.1 0.738 96.0 61.7 -66.1 -23.8 39.9 -12.8 119.9 6 78 A T T 3 S+ 0 0 1 678,-0.1 495,-1.7 -3,-0.1 496,-0.5 0.158 81.2 110.6 -90.4 20.1 38.2 -16.2 120.2 7 79 A T B <> S-A 500 0A 38 -3,-1.3 4,-1.9 493,-0.3 493,-0.2 -0.448 79.6-114.2 -88.3 166.1 40.3 -17.8 117.5 8 80 A L H > S+ 0 0 5 491,-1.6 4,-2.3 2,-0.2 3,-0.3 0.982 116.2 48.8 -63.0 -57.1 42.9 -20.5 118.3 9 81 A D H > S+ 0 0 75 171,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.874 112.1 49.9 -49.7 -43.2 45.9 -18.4 117.3 10 82 A S H 4 S+ 0 0 27 -6,-0.3 3,-0.4 1,-0.2 -1,-0.2 0.901 111.1 49.9 -61.8 -42.5 44.6 -15.5 119.5 11 83 A F H < S+ 0 0 4 -4,-1.9 -2,-0.2 -3,-0.3 -1,-0.2 0.853 119.0 36.1 -63.9 -41.1 44.1 -17.9 122.4 12 84 A F H < S+ 0 0 3 -4,-2.3 165,-0.9 -5,-0.1 -1,-0.2 0.350 93.4 99.5 -99.4 2.5 47.6 -19.4 122.2 13 85 A S < + 0 0 45 -4,-1.0 164,-0.3 -3,-0.4 3,-0.1 0.383 45.5 88.0 -64.8-147.2 49.7 -16.3 121.2 14 86 A R S S- 0 0 68 1,-0.1 2,-0.8 162,-0.1 163,-0.6 0.663 80.0-106.3 59.8 130.4 51.6 -14.5 123.9 15 87 A A E -B 176 0B 9 458,-3.0 161,-0.3 161,-0.2 2,-0.2 -0.806 43.5-167.8 -90.3 112.8 55.1 -15.6 124.8 16 88 A G E -B 175 0B 13 159,-1.7 159,-2.4 -2,-0.8 2,-0.6 -0.611 27.8-101.5-100.8 163.0 54.9 -17.3 128.2 17 89 A L E +B 174 0B 56 157,-0.2 157,-0.2 -2,-0.2 3,-0.1 -0.722 47.6 157.2 -83.2 122.9 57.7 -18.3 130.5 18 90 A V E + 0 0 9 155,-3.0 2,-0.3 -2,-0.6 22,-0.2 0.461 58.0 33.8-122.8 -6.8 58.3 -22.0 130.2 19 91 A G E -B 173 0B 9 154,-1.5 154,-2.8 20,-0.1 2,-0.3 -1.000 46.4-175.4-153.6 152.8 61.9 -22.3 131.5 20 92 A E E -B 172 0B 102 -2,-0.3 2,-0.4 152,-0.3 152,-0.2 -0.902 12.0-162.4-151.0 116.1 64.5 -21.0 133.9 21 93 A I E -B 171 0B 13 150,-2.8 150,-1.6 -2,-0.3 2,-0.5 -0.805 5.1-155.2-101.2 137.6 68.1 -22.1 134.2 22 94 A D E +B 170 0B 62 -2,-0.4 148,-0.2 148,-0.2 12,-0.1 -0.953 14.1 176.6-115.0 130.1 70.3 -21.4 137.2 23 95 A L E +B 169 0B 9 146,-3.5 146,-2.4 -2,-0.5 7,-0.1 -0.594 16.4 175.8-130.8 69.3 74.0 -21.2 136.8 24 96 A P - 0 0 37 0, 0.0 9,-0.2 0, 0.0 3,-0.2 -0.169 32.3-134.5 -68.0 166.4 75.3 -20.3 140.3 25 97 A L S S+ 0 0 74 1,-0.4 2,-0.6 141,-0.1 8,-0.1 0.910 97.5 29.1 -86.9 -56.9 79.1 -20.1 141.1 26 98 A K S S+ 0 0 178 2,-0.0 -1,-0.4 0, 0.0 2,-0.3 -0.921 98.9 111.5-103.2 124.0 79.0 -22.0 144.4 27 99 A G S S- 0 0 44 -2,-0.6 0, 0.0 -3,-0.2 0, 0.0 -0.953 72.0-126.0 175.1 164.5 76.2 -24.5 144.3 28 100 A T S S+ 0 0 136 -2,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.736 92.2 87.0 -88.2 -31.7 74.6 -27.9 144.2 29 101 A T S S- 0 0 55 1,-0.2 0, 0.0 -3,-0.1 0, 0.0 -0.571 111.3 -21.3 -77.5 127.4 72.6 -26.7 141.2 30 102 A N S > S- 0 0 60 -2,-0.3 3,-1.0 1,-0.1 -1,-0.2 0.888 72.1-174.8 34.4 69.4 74.2 -27.2 137.7 31 103 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.666 70.5 63.9 -64.2 -20.4 77.8 -27.4 139.1 32 104 A N T 3 S- 0 0 68 2,-0.3 -2,-0.1 132,-0.0 3,-0.1 0.047 110.6-109.7 -97.2 27.5 79.5 -27.5 135.7 33 105 A G S < S+ 0 0 5 -3,-1.0 126,-1.2 -9,-0.2 2,-0.3 0.848 91.1 79.4 50.7 39.0 78.4 -24.1 134.5 34 106 A Y E -H 158 0C 31 124,-0.2 2,-0.3 -4,-0.2 -2,-0.3 -0.964 55.8-163.8-162.5 165.5 76.0 -25.5 131.9 35 107 A A E -H 157 0C 5 122,-2.5 122,-2.7 -2,-0.3 2,-0.5 -0.990 13.8-140.2-158.7 151.0 72.5 -27.0 131.7 36 108 A N E -H 156 0C 53 -2,-0.3 2,-0.6 120,-0.2 120,-0.2 -0.967 16.0-171.4-118.2 124.3 70.2 -29.1 129.4 37 109 A W E -H 155 0C 38 118,-2.8 118,-1.9 -2,-0.5 2,-0.3 -0.875 13.0-151.2-120.8 101.3 66.5 -28.3 129.1 38 110 A D E -H 154 0C 73 -2,-0.6 2,-0.4 116,-0.2 116,-0.3 -0.537 42.0 -99.5 -67.9 127.4 64.3 -30.7 127.2 39 111 A I + 0 0 10 114,-2.9 2,-0.5 -2,-0.3 113,-0.4 -0.345 49.6 173.7 -58.8 111.5 61.6 -28.5 125.8 40 112 A D > - 0 0 52 -2,-0.4 3,-1.1 -22,-0.2 4,-0.1 -0.980 19.0-168.5-121.0 114.4 58.4 -28.8 127.9 41 113 A I G > S+ 0 0 17 -2,-0.5 3,-0.7 1,-0.3 6,-0.1 0.464 84.2 74.9 -83.9 -0.1 55.6 -26.4 127.0 42 114 A T G 3 + 0 0 14 1,-0.2 -1,-0.3 5,-0.1 6,-0.2 0.540 66.8 99.8 -83.3 -8.2 53.9 -27.3 130.2 43 115 A G G < + 0 0 34 -3,-1.1 2,-0.9 1,-0.1 -1,-0.2 0.724 69.7 68.6 -48.5 -27.7 56.5 -25.0 131.8 44 116 A Y S X> S- 0 0 63 -3,-0.7 3,-2.0 1,-0.2 4,-0.6 -0.893 88.2-145.0 -96.5 106.6 53.9 -22.3 131.8 45 117 A A T >4 S+ 0 0 30 -2,-0.9 3,-0.6 1,-0.3 650,-0.5 0.866 95.1 53.3 -33.5 -66.8 51.5 -23.7 134.5 46 118 A Q T 3> S+ 0 0 28 1,-0.2 4,-0.9 648,-0.1 -1,-0.3 0.698 96.5 75.6 -45.5 -29.3 48.3 -22.4 132.9 47 119 A M H X> S+ 0 0 12 -3,-2.0 4,-1.9 1,-0.2 3,-1.4 0.934 78.8 62.9 -53.6 -64.0 49.3 -24.1 129.6 48 120 A R H < S+ 0 0 8 -4,-1.9 3,-2.7 1,-0.2 2,-0.4 0.918 104.5 69.2 -73.3 -40.5 46.1 -27.4 125.2 52 124 A E T 3< S+ 0 0 26 -4,-2.6 -1,-0.2 -5,-0.4 137,-0.2 0.246 79.3 82.5 -64.6 19.7 44.5 -30.5 126.8 53 125 A L T < S+ 0 0 3 -3,-0.8 133,-3.5 -2,-0.4 -1,-0.3 0.645 93.7 50.3 -91.1 -23.4 41.2 -29.1 125.5 54 126 A F E < S-C 185 0B 0 -3,-2.7 77,-0.2 131,-0.3 130,-0.2 -0.806 70.6-145.0-116.7 157.6 42.1 -30.7 122.1 55 127 A T E S+ 0 0 0 128,-1.8 76,-1.2 129,-1.6 77,-0.7 0.878 86.8 25.1 -86.8 -43.6 43.3 -34.1 121.2 56 128 A Y E +CD 183 130B 0 127,-1.4 127,-2.1 74,-0.2 2,-0.3 -0.908 67.4 170.6-124.2 151.0 45.7 -33.1 118.3 57 129 A M E -CD 182 129B 0 72,-2.8 72,-2.1 -2,-0.3 2,-0.3 -0.949 13.7-164.7-150.9 169.2 47.6 -29.9 117.7 58 130 A R E +C 181 0B 40 123,-1.1 123,-1.8 -2,-0.3 2,-0.3 -0.964 25.5 131.2-157.7 143.0 50.2 -28.4 115.4 59 131 A F E - 0 0 5 -2,-0.3 2,-0.3 121,-0.2 120,-0.2 -0.983 43.4-109.3 179.5 171.3 52.3 -25.2 115.7 60 132 A D E -C 178 0B 42 118,-3.1 118,-3.7 -2,-0.3 2,-0.4 -0.859 29.2-140.9-116.5 152.9 55.6 -23.3 115.6 61 133 A A E -CE 177 120B 6 59,-2.2 59,-2.8 -2,-0.3 2,-0.6 -0.954 4.2-154.9-122.6 136.0 57.4 -21.9 118.6 62 134 A E E -CE 176 119B 5 114,-2.9 114,-2.7 -2,-0.4 2,-0.5 -0.934 18.1-157.5-108.3 119.1 59.2 -18.6 118.9 63 135 A F E -CE 175 118B 3 55,-3.5 55,-1.9 -2,-0.6 2,-0.4 -0.842 10.2-173.2-103.5 133.2 61.8 -18.7 121.7 64 136 A T E -CE 174 117B 2 110,-1.6 110,-2.5 -2,-0.5 2,-0.5 -0.992 13.1-146.9-127.4 128.7 63.1 -15.6 123.4 65 137 A F E -CE 173 116B 5 51,-2.2 51,-1.0 -2,-0.4 2,-0.5 -0.854 10.9-171.8-103.9 126.6 66.0 -15.8 125.9 66 138 A V E +C 172 0B 42 106,-2.7 106,-2.9 -2,-0.5 2,-0.4 -0.948 12.0 176.7-119.5 113.5 66.4 -13.6 128.9 67 139 A A E +C 171 0B 20 -2,-0.5 2,-0.3 104,-0.2 104,-0.2 -0.957 14.3 127.5-125.1 136.3 69.6 -13.8 130.8 68 140 A C E -C 170 0B 19 102,-1.8 102,-2.8 -2,-0.4 6,-0.2 -0.906 57.6 -77.9-162.4-178.6 70.9 -11.8 133.8 69 141 A T > - 0 0 7 4,-1.8 3,-3.5 -2,-0.3 4,-0.4 -0.537 61.5 -88.3 -88.0 164.6 72.4 -12.3 137.3 70 142 A P T 3 S+ 0 0 92 0, 0.0 99,-0.1 0, 0.0 -1,-0.1 0.720 130.8 53.0 -43.9 -32.8 70.0 -13.2 140.1 71 143 A T T 3 S- 0 0 117 2,-0.0 0, 0.0 1,-0.0 0, 0.0 0.373 126.0-102.7 -86.3 5.2 69.3 -9.5 140.9 72 144 A G S < S+ 0 0 51 -3,-3.5 2,-0.2 1,-0.2 -5,-0.0 0.771 70.8 156.9 79.4 29.3 68.5 -9.0 137.3 73 145 A E - 0 0 115 -4,-0.4 -4,-1.8 1,-0.0 2,-0.4 -0.494 38.5-131.5 -88.3 156.2 71.9 -7.4 136.5 74 146 A V + 0 0 92 -6,-0.2 -6,-0.1 -2,-0.2 38,-0.1 -0.908 29.3 175.3-109.0 134.0 73.6 -7.2 133.1 75 147 A V - 0 0 15 -2,-0.4 2,-2.5 2,-0.1 36,-0.4 -0.973 43.1 -97.7-140.1 154.4 77.3 -8.2 132.8 76 148 A P S S+ 0 0 106 0, 0.0 2,-0.4 0, 0.0 34,-0.0 -0.387 73.6 128.6 -69.3 72.7 79.9 -8.6 130.0 77 149 A Q - 0 0 29 -2,-2.5 34,-1.9 88,-0.0 2,-0.3 -0.996 49.6-140.2-133.2 136.4 79.6 -12.3 129.6 78 150 A L E -I 110 0C 66 -2,-0.4 82,-2.0 32,-0.2 2,-0.3 -0.698 20.7-161.4 -94.5 147.7 79.1 -14.2 126.4 79 151 A L E -IJ 109 159C 3 30,-2.0 30,-1.4 -2,-0.3 2,-0.5 -0.953 14.3-145.8-134.0 152.4 76.8 -17.3 126.2 80 152 A Q E -IJ 108 158C 13 78,-2.8 78,-1.6 -2,-0.3 2,-0.5 -0.953 9.6-170.6-117.7 126.0 76.0 -20.2 124.0 81 153 A Y E -IJ 107 157C 7 26,-2.3 26,-2.4 -2,-0.5 2,-0.4 -0.974 12.2-169.1-112.7 124.4 72.6 -21.6 123.5 82 154 A M E -IJ 106 156C 0 74,-3.4 74,-3.8 -2,-0.5 2,-0.6 -0.960 12.0-155.4-119.8 133.9 72.5 -24.9 121.7 83 155 A F E - J 0 155C 1 22,-3.0 72,-0.2 -2,-0.4 -2,-0.0 -0.931 7.3-164.5-106.9 117.7 69.5 -26.6 120.3 84 156 A V E - J 0 154C 1 70,-3.0 70,-2.7 -2,-0.6 3,-0.1 -0.907 19.1-135.8-104.7 111.6 69.9 -30.3 120.0 85 157 A P > - 0 0 29 0, 0.0 3,-2.1 0, 0.0 68,-0.2 -0.121 40.0 -79.4 -57.6 161.2 67.2 -31.7 117.7 86 158 A P T 3 S+ 0 0 57 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.431 123.9 31.3 -64.2 140.3 65.4 -34.8 118.9 87 159 A G T 3 S+ 0 0 87 1,-0.5 66,-0.0 -3,-0.1 -3,-0.0 0.180 96.9 108.3 98.2 -20.0 67.6 -37.8 118.1 88 160 A A S < S- 0 0 21 -3,-2.1 -1,-0.5 -4,-0.1 2,-0.4 -0.682 78.3-106.3 -89.9 148.3 70.8 -35.7 118.6 89 161 A P - 0 0 96 0, 0.0 -1,-0.0 0, 0.0 3,-0.0 -0.619 27.0-134.9 -79.8 127.5 72.9 -36.4 121.7 90 162 A K - 0 0 97 -2,-0.4 2,-0.3 1,-0.1 8,-0.1 -0.416 34.7 -93.0 -76.7 154.5 72.8 -33.8 124.5 91 163 A P - 0 0 2 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.547 28.7-165.5 -73.6 127.6 76.2 -32.8 126.1 92 164 A D S S+ 0 0 125 -2,-0.3 2,-0.3 -3,-0.0 -56,-0.0 0.700 72.9 19.8 -83.3 -20.0 77.1 -34.8 129.2 93 165 A S S > S- 0 0 24 0, 0.0 3,-1.3 0, 0.0 -1,-0.0 -0.881 86.9 -96.4-143.0 174.5 79.8 -32.3 130.2 94 166 A R T 3 S+ 0 0 16 -2,-0.3 -59,-0.0 1,-0.3 64,-0.0 0.396 126.1 38.7 -73.3 3.8 81.0 -28.8 129.8 95 167 A E T 3 S+ 0 0 131 4,-0.0 -1,-0.3 3,-0.0 67,-0.0 0.164 78.2 141.4-138.0 14.4 83.4 -30.1 127.1 96 168 A S X - 0 0 17 -3,-1.3 3,-1.3 1,-0.2 4,-0.2 -0.328 59.5-125.6 -57.4 141.8 81.3 -32.6 125.3 97 169 A L G > S+ 0 0 136 1,-0.3 3,-1.4 2,-0.2 4,-0.3 0.580 101.0 84.6 -69.5 -6.5 82.0 -32.4 121.6 98 170 A A G > S+ 0 0 12 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.864 76.5 68.0 -61.6 -35.5 78.3 -32.0 121.1 99 171 A W G < S+ 0 0 9 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.771 106.4 40.9 -55.6 -25.6 78.8 -28.3 121.7 100 172 A Q G < S+ 0 0 152 -3,-1.4 2,-0.8 -4,-0.2 -1,-0.3 0.350 80.3 119.7-106.8 6.1 80.7 -28.2 118.4 101 173 A T X - 0 0 56 -3,-1.8 3,-2.3 -4,-0.3 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