==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 17-OCT-05 2BBD . COMPND 2 MOLECULE: COAT PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS TURRETED ICOSAHEDRAL VIRUS; . AUTHOR R.KHAYAT . 1292 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55204.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 989 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 513 39.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.6 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 . 193 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.1 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 1 3 3 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 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 . 9 15 0 4 6 16 5 1 4 4 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 4 1 1 0 0 4 0 0 1 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 2 A G 0 0 47 0, 0.0 2,-0.3 0, 0.0 158,-0.2 0.000 360.0 360.0 360.0-164.1 172.1 2.6 37.6 2 3 A E E -A 158 0A 94 156,-0.7 156,-2.6 155,-0.1 2,-0.4 -0.555 360.0-148.6 -74.2 127.3 175.0 3.2 35.2 3 4 A I E +A 157 0A 72 -2,-0.3 2,-0.3 154,-0.2 154,-0.2 -0.829 26.0 159.5-101.6 132.2 178.1 4.7 36.9 4 5 A Y E -A 156 0A 26 152,-1.8 152,-3.5 -2,-0.4 2,-0.4 -0.985 26.0-138.3-149.8 158.2 180.4 7.0 35.0 5 6 A T E +AB 155 977A 28 972,-3.0 972,-3.0 -2,-0.3 2,-0.3 -0.932 17.7 174.8-124.2 141.6 183.0 9.7 35.6 6 7 A E E -A 154 0A 24 148,-2.4 148,-3.2 -2,-0.4 2,-0.5 -0.999 24.7-130.9-144.9 147.3 183.7 13.0 34.0 7 8 A T E -A 153 0A 80 -2,-0.3 146,-0.3 146,-0.3 968,-0.1 -0.847 30.6-116.4 -99.5 127.1 186.2 15.9 34.7 8 9 A L - 0 0 28 144,-2.5 144,-0.3 -2,-0.5 -1,-0.0 -0.293 13.0-138.7 -60.9 141.8 184.8 19.4 34.8 9 10 A Q S S+ 0 0 186 142,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.873 83.6 80.0 -68.5 -39.3 186.2 21.7 32.0 10 11 A Q - 0 0 125 142,-0.0 142,-0.4 141,-0.0 2,-0.3 -0.557 64.4-170.5 -75.8 129.6 186.5 24.6 34.5 11 12 A T - 0 0 62 -2,-0.3 2,-0.5 140,-0.1 140,-0.2 -0.736 14.8-133.5-115.4 166.1 189.6 24.6 36.7 12 13 A Y E -C 150 0A 29 138,-1.8 138,-3.6 -2,-0.3 8,-0.0 -0.976 17.5-128.9-128.5 121.9 190.5 26.7 39.7 13 14 A A E -C 149 0A 62 -2,-0.5 2,-0.6 136,-0.3 136,-0.3 -0.325 22.6-120.2 -67.0 146.0 193.9 28.3 40.2 14 15 A W + 0 0 18 134,-2.8 134,-0.4 -2,-0.0 2,-0.3 -0.788 41.3 162.6 -88.9 123.1 195.7 27.9 43.4 15 16 A T - 0 0 69 -2,-0.6 3,-0.5 3,-0.1 122,-0.2 -0.972 44.7 -92.3-135.6 146.3 196.4 31.2 45.2 16 17 A A S S+ 0 0 39 -2,-0.3 123,-0.2 1,-0.2 122,-0.1 -0.228 99.6 1.2 -61.3 146.7 197.3 31.5 48.9 17 18 A G S S+ 0 0 48 121,-2.2 2,-0.4 1,-0.2 -1,-0.2 0.898 93.6 143.7 39.9 63.2 194.6 32.0 51.5 18 19 A T - 0 0 48 -3,-0.5 119,-2.9 120,-0.2 2,-0.8 -0.997 48.2-140.6-134.2 131.5 191.7 32.0 49.0 19 20 A N E -L 136 0B 98 -2,-0.4 117,-0.3 117,-0.3 115,-0.0 -0.820 21.5-166.6 -92.1 113.5 188.2 30.6 49.4 20 21 A I E -L 135 0B 16 115,-3.4 115,-2.6 -2,-0.8 2,-0.5 -0.853 4.1-159.6-106.3 102.6 187.3 29.0 46.1 21 22 A P E -L 134 0B 81 0, 0.0 2,-0.5 0, 0.0 113,-0.2 -0.702 10.2-167.9 -83.0 122.4 183.5 28.2 45.8 22 23 A I E -L 133 0B 0 111,-2.4 111,-3.1 -2,-0.5 2,-0.4 -0.946 14.3-139.6-114.2 126.1 183.0 25.5 43.1 23 24 A K E -L 132 0B 104 -2,-0.5 109,-0.2 109,-0.2 107,-0.0 -0.705 15.9-142.9 -84.5 129.8 179.5 24.7 41.8 24 25 A I E -L 131 0B 2 107,-3.1 107,-0.5 -2,-0.4 2,-0.1 -0.823 18.1-122.7 -95.7 125.1 178.9 21.0 41.3 25 26 A P - 0 0 44 0, 0.0 2,-0.6 0, 0.0 3,-0.3 -0.423 10.3-144.6 -67.1 138.1 176.8 20.1 38.3 26 27 A R + 0 0 91 1,-0.2 3,-0.1 -2,-0.1 4,-0.0 -0.416 48.6 138.9-101.3 55.9 173.6 18.1 39.0 27 28 A N S S- 0 0 80 -2,-0.6 2,-0.3 1,-0.1 -1,-0.2 0.785 77.5 -32.1 -68.5 -31.0 173.6 15.9 35.9 28 29 A N S S- 0 0 35 -3,-0.3 130,-0.2 130,-0.1 97,-0.2 -0.892 95.6 -41.2-166.5-170.4 172.6 12.8 37.8 29 30 A F E -D 157 0A 3 128,-1.5 128,-2.3 -2,-0.3 2,-0.5 -0.407 61.4-134.1 -66.4 151.0 173.0 11.2 41.2 30 31 A I E +DE 156 123A 0 93,-2.2 93,-2.0 126,-0.2 126,-0.3 -0.947 28.3 176.7-117.3 125.4 176.6 11.6 42.5 31 32 A R E S- 0 0 89 124,-2.4 89,-2.4 -2,-0.5 90,-0.4 0.789 70.7 -12.6 -92.3 -34.1 178.7 8.8 44.0 32 33 A K E -DE 155 119A 45 123,-1.5 123,-3.0 87,-0.2 2,-0.4 -0.999 48.8-139.4-163.8 164.2 181.8 10.8 44.5 33 34 A I E -DE 154 118A 0 85,-1.9 85,-2.6 -2,-0.3 2,-0.4 -0.997 18.0-157.4-129.3 130.2 183.9 14.0 43.8 34 35 A R E -DE 153 117A 58 119,-3.7 119,-3.0 -2,-0.4 2,-0.4 -0.903 4.2-166.5-111.4 138.0 187.6 13.9 43.1 35 36 A V E -DE 152 116A 0 81,-3.0 81,-2.2 -2,-0.4 2,-0.4 -0.987 4.5-175.2-123.4 128.1 189.9 16.9 43.6 36 37 A Q E -DE 151 115A 35 115,-2.2 115,-2.8 -2,-0.4 2,-0.8 -0.987 14.2-157.8-128.1 122.8 193.4 17.1 42.2 37 38 A L E +DE 150 114A 0 77,-2.8 77,-2.3 -2,-0.4 2,-0.4 -0.893 29.6 174.3 -97.2 109.8 195.8 19.9 42.9 38 39 A I E +DE 149 113A 54 111,-2.5 111,-2.1 -2,-0.8 2,-0.3 -0.974 24.6 69.1-128.2 134.5 198.2 19.7 40.0 39 40 A G E S-DE 148 112A 22 73,-2.4 73,-2.8 -2,-0.4 2,-0.3 -0.876 71.6 -62.7 166.9-131.3 201.1 21.9 38.9 40 41 A S E -DE 147 111A 22 107,-2.4 107,-3.3 -2,-0.3 2,-0.4 -0.951 20.9-134.1-149.1 166.4 204.5 22.8 40.3 41 42 A I E -DE 146 110A 0 69,-2.2 69,-2.2 -2,-0.3 2,-0.3 -0.996 30.4-160.4-123.7 126.4 206.4 24.3 43.2 42 43 A S E -DE 145 109A 30 103,-2.9 103,-2.5 -2,-0.4 2,-0.5 -0.840 15.6-158.2-116.4 151.5 209.2 26.7 42.3 43 44 A N E + E 0 108A 4 65,-2.7 64,-1.2 62,-0.3 65,-0.7 -0.973 15.2 169.6-125.9 112.7 212.3 28.1 44.1 44 45 A S + 0 0 115 -2,-0.5 -1,-0.1 99,-0.3 62,-0.1 0.334 50.8 104.7-103.1 5.5 213.7 31.4 42.7 45 46 A G S S- 0 0 33 98,-0.4 62,-0.4 2,-0.2 -2,-0.1 0.050 82.5-110.0 -72.9-171.2 216.0 31.8 45.7 46 47 A T S S+ 0 0 142 60,-0.1 2,-0.3 2,-0.1 60,-0.2 0.592 96.0 54.8 -99.1 -16.0 219.8 31.2 45.8 47 48 A A S S- 0 0 61 58,-0.1 -2,-0.2 57,-0.0 60,-0.2 -0.892 92.1-101.0-120.5 151.6 219.7 28.1 48.0 48 49 A A - 0 0 59 -2,-0.3 2,-0.4 58,-0.1 -2,-0.1 -0.435 38.8-139.5 -66.5 142.1 217.9 24.8 47.6 49 50 A V E -T 104 0C 32 55,-2.6 55,-3.5 -2,-0.1 2,-0.7 -0.896 1.2-142.6-110.1 133.8 214.8 24.6 49.8 50 51 A T E -T 103 0C 99 -2,-0.4 53,-0.3 53,-0.3 52,-0.1 -0.855 27.3-127.5 -92.9 118.2 213.8 21.5 51.7 51 52 A L - 0 0 3 51,-4.0 50,-0.5 -2,-0.7 92,-0.0 -0.273 35.9 -90.3 -62.7 152.1 210.0 21.3 51.6 52 53 A P - 0 0 54 0, 0.0 49,-1.7 0, 0.0 50,-0.3 0.011 40.5-103.8 -59.8 167.3 208.3 20.9 55.0 53 54 A S > - 0 0 63 47,-0.3 3,-1.9 1,-0.2 48,-0.1 -0.146 65.1 -22.4 -80.6-177.5 207.5 17.7 56.7 54 55 A A T 3 S+ 0 0 12 1,-0.3 171,-0.5 46,-0.1 172,-0.3 -0.265 116.5 48.1 -57.5 153.3 204.0 16.1 56.9 55 56 A P T >> S+ 0 0 22 0, 0.0 4,-1.1 0, 0.0 3,-1.0 -0.936 95.0 126.1 -76.6 14.2 201.2 17.1 56.7 56 57 A F T <4 + 0 0 0 -3,-1.9 40,-0.0 1,-0.3 -5,-0.0 -0.515 65.0 27.3 -68.1 146.0 202.6 18.8 53.6 57 58 A P T >4 S+ 0 0 2 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 -0.992 120.1 56.4 -86.7 -1.7 201.6 18.6 50.8 58 59 A Y G X4 S+ 0 0 8 -3,-1.0 3,-1.3 1,-0.3 -2,-0.2 0.811 97.8 65.0 -59.7 -31.2 198.0 18.0 52.0 59 60 A N G 3< S+ 0 0 61 -4,-1.1 80,-0.4 1,-0.3 -1,-0.3 0.303 71.7 92.7 -77.3 12.2 198.0 21.2 54.1 60 61 A L G < S+ 0 0 0 -3,-1.8 78,-2.5 -5,-0.2 2,-0.5 0.582 88.0 56.0 -75.6 -9.8 198.3 23.2 50.8 61 62 A V E < S-M 137 0B 1 -3,-1.3 18,-0.7 76,-0.3 19,-0.3 -0.996 74.0-165.5-119.8 123.3 194.5 23.2 51.3 62 63 A Q E - 0 0 112 74,-1.9 17,-1.5 -2,-0.5 18,-0.4 0.972 67.8 -7.6 -73.5 -57.1 193.4 24.6 54.6 63 64 A T E -MN 136 78B 54 73,-1.6 73,-2.5 15,-0.3 2,-0.4 -0.993 52.0-149.4-145.2 151.1 189.8 23.3 54.5 64 65 A F E -MN 135 77B 1 13,-3.9 13,-2.1 -2,-0.3 2,-0.4 -0.966 15.5-173.6-115.6 132.7 187.2 21.6 52.3 65 66 A N E -MN 134 76B 48 69,-2.4 69,-3.6 -2,-0.4 2,-0.6 -0.964 2.9-174.6-131.3 117.2 183.6 22.3 52.6 66 67 A L E +MN 133 75B 0 9,-2.2 8,-3.0 -2,-0.4 9,-1.7 -0.948 22.9 146.3-113.1 120.4 180.9 20.4 50.7 67 68 A S E -MN 132 73B 14 65,-2.2 65,-3.6 -2,-0.6 2,-0.3 -0.958 27.5-158.2-148.4 164.7 177.4 21.6 51.0 68 69 A Y E > S+ N 0 72B 11 4,-2.0 4,-2.0 -2,-0.3 63,-0.2 -0.949 73.4 25.4-142.8 159.7 174.0 21.9 49.2 69 70 A E T 4 S- 0 0 68 60,-3.0 2,-2.1 -2,-0.3 61,-0.2 0.793 116.2 -85.0 54.8 29.8 170.9 24.1 49.6 70 71 A G T 4 S+ 0 0 65 60,-0.7 -1,-0.2 59,-0.2 60,-0.0 -0.237 124.0 43.1 74.3 -50.5 173.1 26.6 51.4 71 72 A S T 4 S+ 0 0 102 -2,-2.1 2,-0.7 -3,-0.2 -1,-0.2 0.492 84.0 97.8-109.8 -3.5 172.9 25.1 54.9 72 73 A K E < -N 68 0B 64 -4,-2.0 -4,-2.0 2,-0.0 2,-0.5 -0.787 55.7-157.7 -96.2 117.6 173.4 21.4 54.5 73 74 A T E +N 67 0B 56 -2,-0.7 -6,-0.2 -6,-0.2 3,-0.1 -0.797 25.4 167.1 -99.4 123.9 176.9 20.1 55.1 74 75 A L E S+ 0 0 2 -8,-3.0 111,-2.6 -2,-0.5 2,-0.3 0.778 77.6 16.8 -95.9 -37.8 178.2 16.8 53.7 75 76 A Y E +No 66 185B 13 -9,-1.7 -9,-2.2 109,-0.2 -1,-0.4 -1.000 50.3 167.0-141.2 140.5 181.9 17.5 54.5 76 77 A S E +No 65 186B 44 109,-2.2 111,-2.8 -2,-0.3 2,-0.3 -0.754 35.8 134.0-150.8 91.4 183.7 19.9 56.7 77 78 A V E -N 64 0B 4 -13,-2.1 -13,-3.9 -2,-0.2 2,-0.1 -0.976 53.3-109.1-144.1 156.5 187.4 18.8 56.9 78 79 A S E > -N 63 0B 17 -2,-0.3 4,-1.9 -15,-0.3 -15,-0.3 -0.368 33.2-115.7 -78.7 162.1 190.9 20.3 56.7 79 80 A G H > S+ 0 0 0 -17,-1.5 4,-1.6 -18,-0.7 -17,-0.2 0.875 117.5 54.5 -66.0 -33.1 193.0 19.4 53.7 80 81 A T H > S+ 0 0 18 -18,-0.4 4,-2.4 -19,-0.3 5,-0.2 0.955 108.9 43.9 -62.8 -55.2 195.3 17.7 56.2 81 82 A G H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.907 115.7 45.7 -60.1 -46.9 192.7 15.4 57.8 82 83 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.861 112.6 54.0 -65.3 -34.1 191.1 14.3 54.5 83 84 A G H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.3 -2,-0.2 0.893 107.8 47.8 -66.5 -42.2 194.5 13.8 53.1 84 85 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.897 110.2 53.5 -66.9 -36.0 195.5 11.5 55.9 85 86 A L H X S+ 0 0 13 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.909 108.2 50.6 -63.9 -38.6 192.2 9.7 55.4 86 87 A X H X S+ 0 0 13 -4,-2.1 4,-1.2 1,-0.2 6,-0.3 0.916 105.5 56.7 -63.6 -42.7 193.2 9.2 51.8 87 88 A Y H <>S+ 0 0 45 -4,-2.3 5,-3.7 1,-0.2 3,-0.5 0.940 113.2 39.7 -53.2 -51.2 196.6 7.9 52.7 88 89 A Y H ><5S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.923 114.9 50.0 -66.9 -46.2 195.0 5.1 54.8 89 90 A T H 3<5S+ 0 0 60 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.558 113.3 47.2 -72.7 -8.1 192.1 4.3 52.5 90 91 A T T ><5S- 0 0 35 -4,-1.2 3,-1.5 -3,-0.5 -1,-0.3 0.239 115.9-110.5-113.7 9.9 194.5 4.0 49.5 91 92 A K T < 5S- 0 0 68 -3,-1.4 -3,-0.2 1,-0.3 173,-0.1 0.869 76.1 -56.9 62.0 37.3 197.0 1.8 51.3 92 93 A G T 3 - 0 0 53 1,-0.1 3,-1.6 -2,-0.1 -48,-0.1 -0.310 38.0 -86.2 -65.1 150.8 206.7 14.0 49.3 100 101 A P T 3 S+ 0 0 59 0, 0.0 -47,-0.3 0, 0.0 -1,-0.1 -0.209 116.2 28.5 -54.9 146.6 207.5 15.9 52.5 101 102 A G T 3 S+ 0 0 43 -49,-1.7 -48,-0.1 -50,-0.5 2,-0.1 0.498 84.6 148.6 79.6 0.2 211.1 16.9 52.9 102 103 A T < - 0 0 43 -3,-1.6 -51,-4.0 -50,-0.3 2,-0.4 -0.422 45.2-124.7 -68.4 145.7 211.6 17.0 49.1 103 104 A S E -T 50 0C 58 -53,-0.3 -53,-0.3 -3,-0.1 6,-0.1 -0.771 12.6-154.8 -97.4 135.2 214.2 19.6 48.0 104 105 A V E -T 49 0C 0 -55,-3.5 -55,-2.6 -2,-0.4 3,-0.1 -0.939 26.0-129.1-108.0 112.0 213.4 22.3 45.4 105 106 A P > - 0 0 65 0, 0.0 3,-2.3 0, 0.0 -62,-0.3 -0.208 32.0 -90.8 -58.9 148.4 216.7 23.3 43.7 106 107 A A T 3 S+ 0 0 37 1,-0.3 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