==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 21-FEB-13 4JCD . COMPND 2 MOLECULE: MAJOR CAPSID PROTEIN VP1; . SOURCE 2 ORGANISM_SCIENTIFIC: JC POLYOMAVIRUS; . AUTHOR T.STEHLE,L.J.STROH . 1285 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45682.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 786 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 446 34.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 0.8 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 . 98 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 142 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 0.9 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 . 5 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 . 35 10 10 0 10 5 5 10 0 0 0 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 10 0 0 5 0 5 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 24 A V 0 0 119 0, 0.0 2,-0.5 0, 0.0 256,-0.0 0.000 360.0 360.0 360.0 118.6 78.2 -1.0 35.6 2 25 A E - 0 0 125 256,-0.8 256,-2.6 0, 0.0 2,-0.4 -0.910 360.0-140.6 -92.5 126.1 78.2 -1.4 39.4 3 26 A V E +A 257 0A 48 -2,-0.5 254,-0.2 254,-0.2 2,-0.1 -0.732 26.1 171.2 -97.7 129.5 76.0 1.3 40.9 4 27 A L E - 0 0 51 252,-3.0 -1,-0.1 -2,-0.4 253,-0.1 -0.036 41.1 -25.7-114.0-144.7 76.9 3.2 44.1 5 28 A E E - 0 0 75 250,-0.1 251,-2.6 1,-0.1 2,-0.3 -0.308 54.8-115.2 -77.4 155.3 75.6 6.2 45.9 6 29 A V E -A 255 0A 47 249,-0.2 2,-0.3 -2,-0.1 249,-0.2 -0.611 32.4-121.8 -76.1 136.6 73.6 9.2 44.6 7 30 A K - 0 0 63 247,-2.8 247,-0.3 -2,-0.3 2,-0.2 -0.631 30.8-160.5 -77.6 143.6 75.4 12.6 44.9 8 31 A T + 0 0 129 -2,-0.3 3,-0.1 245,-0.1 2,-0.1 -0.637 39.0 75.4-116.0-178.5 73.6 15.2 47.0 9 32 A G S > S- 0 0 51 -2,-0.2 3,-1.2 1,-0.1 4,-0.1 -0.314 92.1 -66.2 101.6 170.5 73.8 19.0 47.2 10 33 A V G > S+ 0 0 145 1,-0.2 3,-0.9 2,-0.1 -1,-0.1 0.874 130.6 53.9 -62.5 -40.9 72.6 21.8 45.0 11 34 A D G 3 S+ 0 0 72 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.510 90.9 80.7 -69.5 -7.9 75.0 20.9 42.1 12 35 A S G < S+ 0 0 9 -3,-1.2 242,-1.9 241,-0.1 2,-0.3 0.453 83.3 61.2 -90.6 -1.8 73.8 17.3 42.0 13 36 A I E < +B 253 0A 106 -3,-0.9 2,-0.3 240,-0.2 240,-0.2 -0.900 53.0 177.5-126.8 153.2 70.6 17.7 39.9 14 37 A T E -B 252 0A 36 238,-2.1 238,-2.9 -2,-0.3 2,-0.4 -0.963 16.2-139.8-149.4 165.5 69.7 18.8 36.4 15 38 A E E -B 251 0A 87 -2,-0.3 2,-0.5 236,-0.2 236,-0.2 -0.981 3.2-160.2-129.2 137.0 66.6 19.2 34.2 16 39 A V E +B 250 0A 13 234,-2.8 234,-2.7 -2,-0.4 2,-0.4 -0.982 16.3 176.2-114.8 130.2 66.1 18.5 30.5 17 40 A E E +B 249 0A 81 -2,-0.5 2,-0.3 232,-0.2 232,-0.2 -0.996 20.3 117.4-134.4 128.2 63.0 20.2 28.9 18 41 A C E -B 248 0A 30 230,-2.2 230,-2.7 -2,-0.4 2,-0.4 -0.980 46.8-115.6-169.7 175.4 62.2 20.0 25.2 19 42 A F E -B 247 0A 73 -2,-0.3 2,-0.5 228,-0.2 228,-0.2 -0.958 13.9-145.3-127.8 149.9 59.8 18.9 22.5 20 43 A L E -B 246 0A 11 226,-2.5 226,-2.0 -2,-0.4 38,-0.1 -0.972 19.2-139.9-111.0 122.7 60.1 16.3 19.7 21 44 A T - 0 0 32 -2,-0.5 2,-0.1 224,-0.2 224,-0.1 -0.491 26.0-107.2 -77.9 150.4 58.3 17.2 16.5 22 45 A P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 11,-0.2 -0.459 18.0-147.5 -76.6 156.8 56.5 14.4 14.7 23 46 A E B +F 56 0B 14 33,-0.6 33,-2.7 1,-0.1 12,-0.0 -0.749 35.6 152.0-124.6 81.2 57.9 13.0 11.4 24 47 A M S S- 0 0 2 -2,-0.4 12,-0.2 31,-0.2 217,-0.2 0.652 72.0 -86.8 -90.2 -17.1 54.9 11.9 9.4 25 48 A G - 0 0 23 10,-0.2 10,-0.2 -3,-0.1 28,-0.1 -0.084 39.4-139.3 136.3 -37.3 56.3 12.4 6.0 26 49 A D - 0 0 36 8,-2.4 6,-0.2 5,-0.4 9,-0.2 0.931 19.4-169.0 50.6 65.2 55.8 16.1 5.1 27 50 A P + 0 0 30 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.706 63.1 3.4 -63.6 -26.2 54.8 15.5 1.4 28 51 A D S > S- 0 0 78 24,-0.1 3,-1.4 8,-0.0 4,-0.0 -0.891 87.5 -85.4-148.7-176.3 54.9 19.2 0.5 29 52 A E T 3 S+ 0 0 151 -2,-0.3 377,-0.2 1,-0.3 3,-0.1 0.475 124.3 46.7 -75.3 -2.2 55.7 22.7 1.9 30 53 A H T 3 S+ 0 0 46 1,-0.1 360,-0.3 376,-0.0 -1,-0.3 0.370 101.7 66.8-113.2 2.5 52.2 23.1 3.4 31 54 A L X + 0 0 23 -3,-1.4 3,-2.2 358,-0.1 -5,-0.4 0.031 53.1 152.9-126.9 27.8 51.9 19.7 5.1 32 55 A R T 3 S+ 0 0 25 1,-0.3 3,-0.1 -6,-0.2 -9,-0.1 -0.364 76.5 29.5 -49.6 127.3 54.4 19.4 7.9 33 56 A G T 3 S+ 0 0 0 1,-0.4 210,-2.6 -11,-0.2 2,-0.3 0.350 108.7 87.6 95.6 -6.8 52.8 16.9 10.4 34 57 A F B < -H 242 0C 0 -3,-2.2 -8,-2.4 208,-0.2 -1,-0.4 -0.862 68.5-133.8-115.7 158.0 51.0 15.0 7.8 35 58 A S - 0 0 0 206,-1.7 18,-0.3 -2,-0.3 -10,-0.2 -0.551 39.6 -85.2 -93.0 169.3 52.0 12.1 5.6 36 59 A K - 0 0 83 16,-2.6 205,-0.4 -12,-0.2 -1,-0.1 -0.383 66.2 -79.8 -60.4 151.1 51.4 11.8 1.8 37 60 A S - 0 0 35 203,-0.1 2,-0.4 1,-0.1 203,-0.2 -0.322 56.2-110.0 -53.3 144.1 47.9 10.4 1.1 38 61 A I - 0 0 4 201,-2.7 201,-0.4 1098,-0.1 2,-0.3 -0.658 36.3-172.6 -85.9 128.5 48.0 6.6 1.5 39 62 A S - 0 0 83 -2,-0.4 2,-0.4 199,-0.1 1100,-0.1 -0.879 17.5-128.9-117.5 159.7 47.8 4.5 -1.6 40 63 A I - 0 0 48 -2,-0.3 1088,-0.2 1097,-0.1 1087,-0.1 -0.896 16.1-124.1-115.0 133.1 47.4 0.7 -1.7 41 64 A S B -o 1128 0D 15 1086,-3.2 1088,-0.7 -2,-0.4 1089,-0.2 -0.375 17.1-127.5 -70.2 153.4 49.5 -1.8 -3.7 42 65 A D S S+ 0 0 113 4,-0.1 2,-0.3 1087,-0.1 -1,-0.1 0.735 88.6 3.5 -65.8 -31.5 47.8 -4.3 -6.1 43 66 A T S S- 0 0 45 1,-0.1 1086,-0.3 1228,-0.0 3,-0.3 -0.930 78.1-101.9-150.1 167.9 49.6 -7.2 -4.5 44 67 A F S > S+ 0 0 9 -2,-0.3 3,-1.3 1,-0.2 -1,-0.1 0.899 119.6 56.0 -62.2 -42.6 52.0 -8.1 -1.7 45 68 A E T 3 S+ 0 0 112 1,-0.2 -1,-0.2 87,-0.1 88,-0.0 0.777 106.6 49.7 -60.6 -31.0 54.9 -8.3 -4.2 46 69 A S T 3 S+ 0 0 56 -3,-0.3 2,-0.4 86,-0.1 -1,-0.2 0.288 72.0 132.3-100.4 11.3 54.3 -4.8 -5.4 47 70 A D < + 0 0 3 -3,-1.3 86,-2.9 -4,-0.1 1081,-0.1 -0.513 20.8 156.4 -65.7 115.9 54.2 -2.9 -2.1 48 71 A S - 0 0 71 -2,-0.4 86,-0.1 1079,-0.2 -1,-0.1 -0.497 22.0-165.5-145.7 66.6 56.5 0.0 -2.6 49 72 A P - 0 0 6 0, 0.0 2,-0.1 0, 0.0 5,-0.1 -0.283 20.5-122.4 -64.4 139.3 55.6 2.9 -0.2 50 73 A N > - 0 0 99 1,-0.1 3,-1.6 84,-0.1 4,-0.3 -0.478 23.8-113.9 -75.1 152.9 57.1 6.3 -0.9 51 74 A R G > S+ 0 0 111 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.854 115.1 55.3 -55.2 -41.6 59.2 7.9 1.8 52 75 A D G 3 S+ 0 0 43 1,-0.3 -16,-2.6 -17,-0.1 -1,-0.3 0.562 101.6 59.9 -75.2 -5.5 56.8 10.8 2.4 53 76 A M G < S+ 0 0 7 -3,-1.6 -1,-0.3 -18,-0.3 -2,-0.2 0.438 92.1 82.6 -93.1 -4.1 54.0 8.2 3.0 54 77 A L < - 0 0 4 -3,-1.6 -1,-0.1 -4,-0.3 -3,-0.0 -0.863 69.4-144.3-111.9 107.3 55.9 6.6 6.0 55 78 A P - 0 0 8 0, 0.0 112,-2.5 0, 0.0 113,-0.4 -0.361 25.4-157.5 -58.3 146.7 55.8 8.1 9.5 56 79 A C B -FG 23 166B 7 -33,-2.7 -33,-0.6 110,-0.3 107,-0.1 -0.875 22.5 -91.0-124.9 157.2 59.1 7.6 11.3 57 80 A Y - 0 0 0 108,-2.8 106,-0.6 -2,-0.3 107,-0.5 -0.404 38.4-136.6 -60.5 142.0 60.3 7.5 14.9 58 81 A S E +I 225 0C 4 167,-2.7 167,-1.8 104,-0.1 2,-0.3 -0.801 27.2 175.6 -96.8 147.7 61.4 10.8 16.4 59 82 A V E -I 224 0C 10 -2,-0.3 2,-0.4 165,-0.2 165,-0.2 -0.991 16.9-169.9-152.1 142.7 64.6 11.0 18.5 60 83 A A E -I 223 0C 25 163,-2.6 163,-2.9 -2,-0.3 2,-0.6 -0.997 11.5-154.8-130.5 132.8 66.6 13.6 20.2 61 84 A R E -I 222 0C 140 -2,-0.4 161,-0.2 161,-0.2 -2,-0.0 -0.953 20.0-162.8-100.5 117.5 70.1 13.1 21.7 62 85 A I E -I 221 0C 37 159,-3.4 159,-2.7 -2,-0.6 2,-0.2 -0.914 12.5-134.8-110.3 116.6 70.4 15.8 24.4 63 86 A P E -I 220 0C 94 0, 0.0 157,-0.2 0, 0.0 156,-0.1 -0.477 21.8-153.9 -71.8 138.6 73.9 16.5 25.7 64 87 A L - 0 0 15 155,-3.6 3,-0.1 -2,-0.2 -48,-0.0 -0.681 37.5 -69.2-107.2 162.4 74.1 16.8 29.5 65 88 A P - 0 0 67 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 -0.279 67.3 -98.1 -55.0 131.5 76.6 18.8 31.7 66 89 A N 0 0 145 1,-0.2 153,-0.1 -3,-0.1 152,-0.0 -0.231 360.0 360.0 -56.4 133.8 79.9 17.1 31.4 67 90 A L 0 0 67 -3,-0.1 3,-0.2 3,-0.1 -1,-0.2 0.473 360.0 360.0-124.7 360.0 80.9 14.7 34.1 68 ! 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 69 99 A I 0 0 148 0, 0.0 188,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 119.9 83.1 8.0 37.8 70 100 A L E -C 256 0A 59 186,-0.2 2,-0.3 -3,-0.2 186,-0.2 -0.887 360.0-172.5-112.3 146.0 79.8 9.8 37.9 71 101 A M E -C 255 0A 28 184,-2.6 184,-2.7 -2,-0.4 2,-0.4 -0.982 30.0-111.3-133.7 146.1 76.8 9.5 35.5 72 102 A W E -C 254 0A 6 144,-0.5 144,-2.9 -2,-0.3 2,-0.5 -0.639 32.8-154.9 -71.6 130.8 73.6 11.4 35.1 73 103 A E E -CD 253 215A 0 180,-3.4 180,-2.2 -2,-0.4 2,-0.5 -0.950 10.6-135.4-112.7 121.1 70.6 9.2 36.2 74 104 A A E +C 252 0A 0 140,-2.6 178,-0.2 -2,-0.5 3,-0.1 -0.672 31.8 167.6 -78.6 125.8 67.2 9.9 34.8 75 105 A V E + 0 0 22 176,-3.1 131,-3.1 -2,-0.5 132,-0.6 0.809 53.2 14.1-109.3 -45.2 64.7 9.8 37.7 76 106 A T E -CE 251 205A 34 175,-1.2 175,-2.0 129,-0.2 2,-0.4 -0.976 54.9-158.2-139.3 155.8 61.3 11.2 36.6 77 107 A L E -CE 250 204A 1 127,-2.6 127,-3.4 -2,-0.3 2,-0.4 -0.990 6.5-170.3-131.6 135.1 59.5 12.2 33.4 78 108 A K E +C 249 0A 40 171,-2.4 171,-2.4 -2,-0.4 2,-0.3 -0.991 24.1 173.3-114.5 134.7 56.6 14.5 32.7 79 109 A T E +C 248 0A 32 -2,-0.4 2,-0.3 123,-0.3 169,-0.2 -0.990 10.4 175.1-144.0 150.4 55.3 14.2 29.1 80 110 A E E -C 247 0A 13 167,-1.2 167,-3.2 -2,-0.3 2,-0.4 -0.986 34.3-117.3-156.0 139.4 52.4 15.5 27.1 81 111 A V E > -C 246 0A 14 116,-0.4 3,-0.5 -2,-0.3 2,-0.5 -0.715 39.7-137.2 -75.6 127.8 51.1 15.5 23.5 82 112 A I E 3 S+C 245 0A 7 163,-2.8 163,-0.6 -2,-0.4 351,-0.1 -0.796 75.3 17.4 -98.8 124.5 51.2 19.1 22.3 83 113 A G T > + 0 0 0 -2,-0.5 3,-1.7 349,-0.2 4,-0.4 0.744 64.3 155.9 94.9 29.0 48.2 20.6 20.3 84 114 A V G X S+ 0 0 0 -3,-0.5 3,-1.4 1,-0.3 -2,-0.1 0.859 70.9 59.4 -56.6 -37.3 45.4 18.1 21.1 85 115 A T G > S+ 0 0 1 1,-0.3 3,-2.3 2,-0.2 -1,-0.3 0.659 82.6 80.7 -67.9 -16.7 42.7 20.6 20.4 86 116 A S G X S+ 0 0 0 -3,-1.7 3,-1.7 1,-0.3 -1,-0.3 0.776 79.0 71.8 -61.0 -22.4 43.9 21.2 16.8 87 117 A L G < S+ 0 0 7 -3,-1.4 19,-0.3 -4,-0.4 -1,-0.3 0.525 79.6 75.9 -71.6 -3.0 42.0 18.0 16.0 88 118 A M G < + 0 0 5 -3,-2.3 2,-1.6 340,-0.1 -1,-0.3 0.499 64.4 107.1 -83.1 -2.9 38.8 20.0 16.5 89 119 A N < + 0 0 7 -3,-1.7 3,-0.3 339,-0.2 -1,-0.1 -0.607 31.5 150.9 -76.9 90.9 39.3 21.6 13.1 90 120 A V + 0 0 5 -2,-1.6 13,-2.4 1,-0.2 -1,-0.2 -0.050 58.8 71.5-107.9 28.1 36.6 19.8 11.2 91 121 A H S S+ 0 0 5 11,-0.1 209,-2.9 208,-0.1 2,-0.7 0.246 71.1 94.5-125.5 12.2 36.1 22.7 8.7 92 122 A S B S-p 300 0E 2 -3,-0.3 211,-0.2 207,-0.2 209,-0.1 -0.833 111.9 -53.6-121.8 92.4 39.2 22.5 6.6 93 123 A N S S+ 0 0 24 207,-0.7 142,-1.5 -2,-0.7 143,-0.2 0.758 93.3 146.8 44.8 34.5 38.9 20.5 3.4 94 124 A G B -Q 234 0F 4 140,-0.3 2,-0.6 206,-0.1 140,-0.2 -0.259 55.3 -98.6 -87.2 178.2 37.5 17.5 5.3 95 125 A Q - 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0 0 3 -2,-0.1 2,-0.3 121,-0.1 79,-0.2 -0.021 68.0-176.1 -44.1 130.1 44.9 3.6 13.7 110 140 A S E -K 187 0C 10 77,-2.9 77,-2.6 119,-0.1 2,-0.4 -0.950 17.7-165.4-127.9 150.3 47.1 5.5 16.3 111 141 A F E -KL 186 228C 0 117,-1.7 117,-2.1 -2,-0.3 2,-0.5 -0.964 7.5-178.3-132.5 119.4 50.5 4.8 17.8 112 142 A H E +KL 185 227C 33 73,-2.3 73,-2.1 -2,-0.4 2,-0.3 -0.976 18.2 158.1-119.8 119.8 51.5 6.8 20.9 113 143 A F E +KL 184 226C 0 113,-3.1 113,-2.3 -2,-0.5 2,-0.3 -0.998 13.9 168.3-145.7 139.6 55.0 6.0 22.1 114 144 A F E -KL 183 225C 33 69,-2.5 69,-2.2 -2,-0.3 2,-0.3 -0.991 5.6-177.9-148.9 152.4 57.8 7.6 24.2 115 145 A S E -KL 182 224C 2 109,-2.2 109,-2.1 -2,-0.3 2,-0.4 -0.993 13.1-158.0-148.5 151.3 61.0 6.4 25.8 116 146 A V E +KL 181 223C 1 65,-2.3 65,-2.8 -2,-0.3 2,-0.3 -0.999 28.7 161.6-128.7 125.4 63.8 7.9 27.9 117 147 A G E -KL 180 222C 1 105,-2.3 105,-2.9 -2,-0.4 63,-0.3 -0.946 51.0-128.3-145.9 166.4 67.2 6.2 27.9 118 148 A G S S+ 0 0 0 61,-2.5 99,-1.8 -2,-0.3 2,-0.3 0.245 101.6 15.5 -92.0 8.0 70.9 6.6 28.7 119 149 A E S S- 0 0 44 60,-0.3 103,-0.2 103,-0.2 3,-0.1 -0.927 109.7 -52.5-168.9 167.3 71.7 5.4 25.2 120 150 A A - 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