==== 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 4JCF . COMPND 2 MOLECULE: MAJOR CAPSID PROTEIN VP1; . SOURCE 2 ORGANISM_SCIENTIFIC: JC POLYOMAVIRUS; . AUTHOR T.STEHLE,L.J.STROH . 1287 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45480.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 781 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 447 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 . 96 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 139 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 1.0 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 . 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 0 0 PARALLEL BRIDGES PER LADDER . 35 10 10 0 10 5 5 10 0 0 0 3 2 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 25 C E 0 0 155 0, 0.0 256,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 102.5 27.0 22.1 65.3 2 26 C V E +A 256 0A 55 254,-0.2 254,-0.2 1,-0.1 2,-0.1 -0.774 360.0 173.1 -96.1 127.3 27.6 18.3 65.1 3 27 C L E - 0 0 50 252,-2.8 -1,-0.1 -2,-0.5 253,-0.1 -0.043 39.7 -28.7-112.5-145.0 28.7 16.5 68.2 4 28 C E E - 0 0 85 250,-0.1 251,-2.5 1,-0.1 2,-0.3 -0.273 55.3-110.4 -80.3 159.8 29.2 12.8 69.0 5 29 C V E -A 254 0A 48 249,-0.2 2,-0.4 -2,-0.0 249,-0.2 -0.631 30.3-126.5 -79.4 135.2 27.6 9.6 67.7 6 30 C K - 0 0 74 247,-2.5 247,-0.4 -2,-0.3 2,-0.2 -0.736 29.1-164.8 -84.1 131.8 25.3 7.7 70.0 7 31 C T + 0 0 127 -2,-0.4 3,-0.1 245,-0.1 2,-0.1 -0.490 35.5 81.8-105.0 179.1 26.2 4.0 70.4 8 32 C G S > S- 0 0 52 -2,-0.2 3,-1.7 1,-0.2 4,-0.2 -0.320 90.6 -61.8 107.1 167.4 24.3 1.1 71.8 9 33 C V G > S+ 0 0 106 1,-0.3 3,-0.8 2,-0.1 -1,-0.2 0.887 131.1 48.9 -52.6 -47.6 21.6 -1.3 70.6 10 34 C D G 3 S+ 0 0 76 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.439 92.6 82.0 -72.8 -1.2 19.0 1.4 70.0 11 35 C S G < S+ 0 0 10 -3,-1.7 242,-2.3 241,-0.1 2,-0.3 0.501 81.2 58.8 -97.6 -5.7 21.3 3.7 68.1 12 36 C I E < +B 252 0A 118 -3,-0.8 2,-0.3 -4,-0.2 240,-0.2 -0.889 53.3 170.3-121.5 153.9 21.3 2.4 64.5 13 37 C T E -B 251 0A 42 238,-2.0 238,-2.8 -2,-0.3 2,-0.4 -0.957 17.9-140.4-152.1 170.8 18.5 1.8 62.0 14 38 C E E -B 250 0A 97 -2,-0.3 2,-0.4 236,-0.2 236,-0.2 -0.993 2.4-156.0-143.7 139.2 18.2 0.9 58.4 15 39 C V E +B 249 0A 14 234,-2.5 234,-2.3 -2,-0.4 2,-0.4 -0.946 14.3 179.1-116.3 138.8 16.0 1.9 55.5 16 40 C E E +B 248 0A 74 -2,-0.4 2,-0.3 232,-0.2 232,-0.2 -0.998 18.3 125.7-141.7 130.8 15.4 -0.3 52.5 17 41 C C E -B 247 0A 27 230,-2.2 230,-2.9 -2,-0.4 2,-0.4 -0.990 44.4-115.1-169.9 174.2 13.2 0.4 49.5 18 42 C F E -B 246 0A 75 -2,-0.3 2,-0.5 228,-0.2 228,-0.2 -0.971 16.9-149.6-123.4 136.5 12.8 0.7 45.7 19 43 C L E -B 245 0A 10 226,-2.5 226,-2.2 -2,-0.4 38,-0.1 -0.952 18.9-138.8-102.6 125.4 12.0 3.8 43.7 20 44 C T - 0 0 28 -2,-0.5 204,-0.1 224,-0.2 2,-0.1 -0.487 23.7-108.4 -79.7 149.4 10.0 3.2 40.6 21 45 C P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 11,-0.2 -0.419 17.1-148.1 -74.9 156.7 11.0 5.1 37.4 22 46 C E B +F 55 0B 13 33,-0.6 33,-2.8 1,-0.1 12,-0.0 -0.746 34.4 153.2-128.0 82.2 8.7 7.8 36.0 23 47 C M S S- 0 0 1 -2,-0.4 12,-0.2 31,-0.2 217,-0.2 0.599 72.3 -84.7 -92.1 -15.6 9.2 7.7 32.3 24 48 C G - 0 0 24 10,-0.2 10,-0.2 -3,-0.1 28,-0.1 -0.068 41.9-138.8 137.7 -35.5 5.9 9.1 31.2 25 49 C D - 0 0 43 8,-2.2 6,-0.2 5,-0.4 9,-0.2 0.941 18.3-168.0 52.3 67.6 3.5 6.1 31.3 26 50 C P + 0 0 34 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.721 63.5 2.6 -67.6 -22.1 1.6 6.9 28.1 27 51 C D S > S- 0 0 74 24,-0.1 3,-1.6 8,-0.0 -3,-0.0 -0.918 86.4 -85.3-151.1-176.7 -1.1 4.3 28.7 28 52 C E T 3 S+ 0 0 150 1,-0.3 3,-0.2 -2,-0.3 897,-0.1 0.583 125.1 45.2 -70.1 -13.9 -2.4 1.7 31.2 29 53 C H T 3 S+ 0 0 44 1,-0.1 880,-0.3 895,-0.0 -1,-0.3 0.425 100.6 69.9-101.5 -3.1 -0.0 -1.0 29.7 30 54 C L X + 0 0 23 -3,-1.6 3,-2.4 878,-0.1 -5,-0.4 -0.017 53.1 155.3-121.1 30.5 3.1 1.1 29.5 31 55 C R T 3 S+ 0 0 31 1,-0.3 3,-0.1 -6,-0.2 -9,-0.1 -0.362 75.5 25.5 -55.6 123.8 4.4 1.7 33.0 32 56 C G T 3 S+ 0 0 0 1,-0.4 210,-2.6 -11,-0.2 2,-0.3 0.363 108.2 90.0 96.5 -3.8 8.2 2.3 32.7 33 57 C F B < -H 241 0C 0 -3,-2.4 -8,-2.2 208,-0.2 -1,-0.4 -0.840 67.5-134.1-112.4 157.1 8.1 3.5 29.1 34 58 C S - 0 0 0 206,-1.8 18,-0.2 -2,-0.3 -10,-0.2 -0.563 38.0 -84.8 -89.7 167.5 7.6 7.0 27.7 35 59 C K - 0 0 84 16,-3.1 205,-0.4 -12,-0.2 -1,-0.1 -0.410 65.3 -80.6 -52.4 144.5 5.3 8.1 25.0 36 60 C S - 0 0 37 203,-0.1 2,-0.4 -2,-0.1 203,-0.2 -0.276 55.6-111.5 -51.8 139.2 7.0 7.6 21.6 37 61 C I - 0 0 2 201,-2.9 201,-0.4 -3,-0.1 2,-0.3 -0.662 35.1-171.1 -84.0 127.8 9.3 10.5 20.9 38 62 C S - 0 0 84 -2,-0.4 2,-0.4 199,-0.1 585,-0.1 -0.842 17.8-128.4-112.4 158.0 8.3 12.9 18.2 39 63 C I - 0 0 34 -2,-0.3 573,-0.2 582,-0.1 572,-0.1 -0.892 21.9-118.3-109.9 131.9 10.4 15.8 16.9 40 64 C S - 0 0 16 571,-2.9 573,-0.3 -2,-0.4 6,-0.1 -0.252 18.3-124.9 -64.3 154.4 9.3 19.4 16.6 41 65 C D S S+ 0 0 124 4,-0.2 2,-0.3 572,-0.1 -1,-0.1 0.702 90.2 2.7 -72.8 -25.6 9.1 21.1 13.1 42 66 C T S S- 0 0 49 1,-0.1 571,-0.2 713,-0.0 572,-0.1 -0.925 79.1-101.6-151.1 174.9 11.4 23.9 14.3 43 67 C F S > S+ 0 0 21 -2,-0.3 3,-1.0 1,-0.2 87,-0.1 0.883 117.8 50.4 -72.4 -41.0 13.3 25.1 17.3 44 68 C E T 3 S+ 0 0 114 1,-0.2 -1,-0.2 87,-0.1 88,-0.1 0.749 106.6 56.5 -69.2 -24.3 10.8 27.6 18.5 45 69 C S T 3 + 0 0 50 86,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.227 69.3 136.9 -96.1 14.7 7.9 25.1 18.3 46 70 C D < + 0 0 3 -3,-1.0 86,-3.0 -6,-0.1 566,-0.1 -0.465 18.2 156.8 -62.6 121.0 9.4 22.5 20.6 47 71 C S - 0 0 67 -2,-0.3 86,-0.1 564,-0.2 -1,-0.1 -0.510 22.2-163.9-151.0 74.1 6.5 21.4 22.8 48 72 C P - 0 0 7 0, 0.0 2,-0.2 0, 0.0 5,-0.1 -0.327 21.7-120.7 -66.3 139.3 6.9 17.9 24.3 49 73 C N > - 0 0 99 1,-0.1 3,-1.8 84,-0.1 4,-0.4 -0.495 25.6-111.9 -72.3 152.1 3.8 16.2 25.8 50 74 C R G > S+ 0 0 107 1,-0.3 3,-2.0 2,-0.2 -1,-0.1 0.887 115.3 54.9 -50.9 -49.7 3.9 15.3 29.4 51 75 C D G 3 S+ 0 0 47 1,-0.3 -16,-3.1 -17,-0.1 -1,-0.3 0.515 102.4 59.9 -72.5 0.3 3.9 11.5 28.8 52 76 C M G < S+ 0 0 4 -3,-1.8 -1,-0.3 -18,-0.2 -2,-0.2 0.528 91.2 82.7 -96.2 -8.8 7.0 12.0 26.6 53 77 C L S < S- 0 0 3 -3,-2.0 -1,-0.1 -4,-0.4 2,-0.0 -0.851 70.2-145.4-107.1 107.9 9.1 13.5 29.4 54 78 C P - 0 0 9 0, 0.0 112,-2.3 0, 0.0 113,-0.4 -0.388 24.6-159.0 -61.2 148.5 10.9 11.3 31.9 55 79 C C B -FG 22 165B 7 -33,-2.8 -33,-0.6 110,-0.3 2,-0.1 -0.846 22.2 -88.7-128.7 164.0 11.0 12.9 35.4 56 80 C Y - 0 0 0 108,-2.4 106,-0.7 -2,-0.3 107,-0.5 -0.475 37.9-137.6 -68.3 140.6 13.0 12.6 38.6 57 81 C S E +I 224 0C 5 167,-2.9 167,-2.0 104,-0.2 2,-0.3 -0.783 24.9 178.4 -95.9 146.6 11.8 10.0 41.2 58 82 C V E -I 223 0C 22 -2,-0.3 2,-0.4 165,-0.2 165,-0.2 -0.986 13.1-173.0-149.1 138.1 11.8 10.9 44.9 59 83 C A E -I 222 0C 24 163,-2.9 163,-3.1 -2,-0.3 2,-0.6 -0.999 12.3-154.5-129.0 133.6 10.8 9.2 48.0 60 84 C R E -I 221 0C 135 -2,-0.4 161,-0.2 161,-0.2 -2,-0.0 -0.958 18.8-160.2-101.8 115.7 10.7 10.7 51.5 61 85 C I E -I 220 0C 37 159,-3.0 159,-2.5 -2,-0.6 2,-0.1 -0.875 12.5-132.5-105.3 119.4 11.1 7.9 54.0 62 86 C P E -I 219 0C 94 0, 0.0 157,-0.2 0, 0.0 156,-0.1 -0.459 24.2-155.4 -67.9 138.3 9.9 8.5 57.7 63 87 C L - 0 0 17 155,-3.0 3,-0.1 154,-0.2 -48,-0.0 -0.685 38.3 -64.9-109.9 165.8 12.5 7.4 60.3 64 88 C P - 0 0 62 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.280 66.3-103.2 -52.7 129.5 12.1 6.3 63.9 65 89 C N 0 0 148 1,-0.2 153,-0.1 -3,-0.1 152,-0.0 -0.335 360.0 360.0 -60.9 124.5 10.8 9.3 65.7 66 90 C L 0 0 74 -2,-0.1 3,-0.3 3,-0.1 -1,-0.2 0.214 360.0 360.0-101.2 360.0 13.5 11.0 67.8 67 ! 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 68 99 C I 0 0 146 0, 0.0 188,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 121.0 18.7 17.1 70.0 69 100 C L E -C 255 0A 52 -3,-0.3 2,-0.3 186,-0.2 186,-0.2 -0.867 360.0-172.2-109.2 149.5 19.4 13.9 68.1 70 101 C M E -C 254 0A 33 184,-2.5 184,-2.4 -2,-0.3 2,-0.3 -0.994 29.7-110.8-137.3 145.3 19.3 13.4 64.3 71 102 C W E -C 253 0A 4 144,-0.5 144,-3.1 -2,-0.3 2,-0.5 -0.588 32.5-156.7 -71.3 129.9 19.6 10.4 62.1 72 103 C E E -CD 252 214A 0 180,-2.7 180,-2.5 -2,-0.3 2,-0.5 -0.965 11.0-135.5-112.6 125.5 22.8 10.5 60.2 73 104 C A E +C 251 0A 0 140,-2.5 178,-0.2 -2,-0.5 3,-0.1 -0.703 31.6 166.1 -82.3 125.9 23.0 8.5 56.9 74 105 C V E + 0 0 23 176,-3.2 131,-3.2 -2,-0.5 132,-0.5 0.791 54.0 19.7-112.9 -44.5 26.4 6.6 56.8 75 106 C T E -CE 250 204A 22 175,-1.2 175,-1.6 129,-0.2 2,-0.4 -0.932 54.5-161.5-134.9 158.8 26.3 4.0 54.0 76 107 C L E -CE 249 203A 0 127,-2.2 127,-3.3 -2,-0.3 2,-0.4 -0.998 5.8-171.8-139.9 131.8 24.4 3.2 50.9 77 108 C K E +C 248 0A 36 171,-2.4 171,-2.3 -2,-0.4 2,-0.3 -0.988 26.0 163.2-113.4 137.2 23.9 0.1 48.8 78 109 C T E +C 247 0A 31 -2,-0.4 2,-0.3 123,-0.3 169,-0.2 -0.993 10.9 159.6-151.7 150.6 22.1 0.6 45.5 79 110 C E E -C 246 0A 12 167,-1.1 167,-2.7 -2,-0.3 2,-0.3 -0.955 43.6 -92.5-166.5 160.4 21.5 -1.0 42.2 80 111 C V E -C 245 0A 9 116,-0.4 2,-0.5 -2,-0.3 3,-0.4 -0.578 41.1-139.8 -74.5 132.2 19.2 -1.1 39.2 81 112 C I E S+C 244 0A 6 163,-3.0 163,-0.6 -2,-0.3 871,-0.1 -0.879 78.1 19.8-101.5 123.5 16.4 -3.7 39.5 82 113 C G > + 0 0 1 -2,-0.5 3,-1.8 869,-0.2 4,-0.4 0.697 65.8 152.3 97.0 26.8 15.4 -5.8 36.5 83 114 C V G > S+ 0 0 1 -3,-0.4 3,-1.2 1,-0.3 -2,-0.1 0.812 70.2 60.5 -58.6 -31.7 18.5 -5.3 34.3 84 115 C T G > S+ 0 0 0 1,-0.3 3,-2.4 2,-0.1 -1,-0.3 0.707 82.9 79.6 -71.1 -19.4 17.8 -8.7 32.6 85 116 C S G X S+ 0 0 0 -3,-1.8 3,-1.8 1,-0.3 -1,-0.3 0.759 79.3 71.5 -59.8 -23.5 14.4 -7.6 31.4 86 117 C L G < S+ 0 0 6 -3,-1.2 19,-0.4 -4,-0.4 -1,-0.3 0.488 79.0 76.5 -73.3 -1.7 16.3 -5.8 28.6 87 118 C M G < + 0 0 5 -3,-2.4 2,-1.4 860,-0.1 -1,-0.3 0.491 64.2 108.1 -82.7 -5.0 17.1 -9.2 27.1 88 119 C N < + 0 0 7 -3,-1.8 3,-0.2 859,-0.2 -1,-0.0 -0.625 32.8 152.1 -70.5 97.7 13.6 -9.3 25.8 89 120 C V + 0 0 5 -2,-1.4 13,-2.5 1,-0.1 -1,-0.2 0.005 57.9 70.4-114.6 26.5 14.4 -8.8 22.1 90 121 C H + 0 0 3 11,-0.2 730,-3.3 729,-0.1 2,-1.0 0.272 67.4 100.9-121.5 6.3 11.3 -10.6 20.8 91 122 C S S S- 0 0 1 728,-0.2 732,-0.1 -3,-0.2 728,-0.1 -0.655 109.8 -62.6-106.6 79.0 8.5 -8.2 21.8 92 123 C N S S+ 0 0 24 -2,-1.0 142,-1.7 728,-0.3 -1,-0.1 0.816 89.3 151.0 53.9 38.9 7.5 -6.3 18.7 93 124 C G B -O 233 0D 4 140,-0.3 2,-0.6 141,-0.1 140,-0.2 -0.268 54.9 -89.6 -88.5 178.2 10.9 -4.7 18.2 94 125 C Q - 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