==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 01-MAR-00 1DZL . COMPND 2 MOLECULE: LATE MAJOR CAPSID PROTEIN L1; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN PAPILLOMAVIRUS TYPE 16; . AUTHOR X.J.CHEN,B.GARCEA,I.GOLDBERGE,S.C.HARRISON . 455 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25917.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 57.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 22.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 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 . 50 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 9.2 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 2 1 1 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 4 1 2 2 2 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 2 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 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 20 A K 0 0 143 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.9 46.6 -84.6 -33.9 2 21 A V - 0 0 43 373,-0.0 2,-0.3 220,-0.0 221,-0.0 -0.545 360.0-163.8 -95.8 162.6 49.9 -83.1 -32.7 3 22 A V - 0 0 54 -2,-0.2 5,-0.1 220,-0.0 297,-0.0 -0.996 29.1 -87.7-149.0 153.9 50.5 -79.7 -31.1 4 23 A S > - 0 0 31 -2,-0.3 3,-2.9 1,-0.1 4,-0.5 -0.277 38.3-121.9 -58.6 138.1 53.3 -77.2 -30.3 5 24 A T G >> S+ 0 0 0 295,-2.6 4,-3.9 1,-0.3 3,-0.9 0.857 108.8 76.1 -47.5 -39.7 54.9 -77.9 -27.0 6 25 A D G 34 S+ 0 0 81 294,-0.3 -1,-0.3 1,-0.3 5,-0.1 0.762 86.3 65.0 -45.2 -28.4 53.9 -74.4 -26.1 7 26 A E G <4 S+ 0 0 139 -3,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.963 121.2 13.1 -61.6 -54.9 50.4 -75.9 -25.6 8 27 A Y T <4 S+ 0 0 28 -3,-0.9 2,-0.5 -4,-0.5 355,-0.4 0.669 112.6 87.1 -97.3 -21.7 51.3 -78.1 -22.7 9 28 A V < - 0 0 7 -4,-3.9 2,-0.4 -5,-0.2 353,-0.2 -0.718 63.2-151.9 -91.0 126.9 54.6 -76.7 -21.8 10 29 A A E -A 361 0A 33 351,-3.3 351,-1.5 -2,-0.5 2,-0.4 -0.769 11.0-139.7 -95.8 135.3 54.8 -73.8 -19.4 11 30 A R E -A 360 0A 81 -2,-0.4 349,-0.2 349,-0.2 2,-0.1 -0.806 14.5-154.5 -99.5 132.6 57.7 -71.4 -19.6 12 31 A T E - 0 0 18 347,-2.4 -1,-0.0 -2,-0.4 348,-0.0 -0.354 27.4-119.2 -94.8 177.2 59.4 -70.0 -16.5 13 32 A N E S+ 0 0 136 -2,-0.1 2,-0.5 345,-0.1 347,-0.1 0.178 82.4 110.1 -99.8 16.1 61.4 -66.8 -15.9 14 33 A I E + 0 0 56 345,-0.3 345,-2.2 2,-0.0 2,-0.4 -0.795 44.3 179.1 -98.9 132.6 64.3 -69.0 -15.0 15 34 A Y E -A 358 0A 61 -2,-0.5 2,-0.3 343,-0.2 343,-0.2 -0.964 4.8-172.1-132.6 147.8 67.3 -69.2 -17.2 16 35 A Y E -A 357 0A 23 341,-2.5 341,-3.0 -2,-0.4 2,-0.3 -0.972 12.4-141.7-139.0 152.8 70.6 -71.1 -16.9 17 36 A H E +AB 356 437A 8 420,-2.3 420,-1.3 -2,-0.3 2,-0.3 -0.860 22.0 165.1-114.2 151.7 73.9 -71.3 -18.7 18 37 A A E +A 355 0A 0 337,-1.8 337,-3.2 -2,-0.3 2,-0.3 -0.966 3.2 158.4-161.0 146.1 76.0 -74.3 -19.4 19 38 A G E -A 354 0A 7 -2,-0.3 335,-0.2 335,-0.3 -2,-0.0 -0.939 40.3 -95.0-171.1 148.4 78.9 -75.0 -21.7 20 39 A T - 0 0 11 333,-0.6 3,-0.1 -2,-0.3 412,-0.0 -0.201 30.4-128.2 -62.8 158.6 81.9 -77.3 -22.3 21 40 A S S S- 0 0 95 1,-0.1 2,-0.1 331,-0.1 -1,-0.1 0.989 76.2 -48.7 -70.6 -62.5 85.3 -76.3 -21.0 22 41 A R - 0 0 157 2,-0.0 330,-0.2 330,-0.0 2,-0.2 -0.543 57.1-143.0-178.6 105.5 87.1 -76.8 -24.3 23 42 A L E +C 351 0A 22 328,-2.3 328,-3.0 -2,-0.1 2,-0.3 -0.544 21.1 180.0 -81.8 141.3 86.8 -79.9 -26.4 24 43 A L E +C 350 0A 97 -2,-0.2 2,-0.3 326,-0.2 326,-0.2 -1.000 8.9 176.0-142.6 141.4 89.8 -81.3 -28.3 25 44 A A E -C 349 0A 26 324,-1.5 324,-2.1 -2,-0.3 2,-0.4 -0.972 3.1-179.9-148.8 130.2 90.4 -84.2 -30.6 26 45 A V E +C 348 0A 92 -2,-0.3 2,-0.2 322,-0.2 322,-0.2 -0.992 23.3 108.0-135.0 138.7 93.5 -85.3 -32.5 27 46 A G E -C 347 0A 1 320,-1.9 320,-2.0 -2,-0.4 18,-0.3 -0.874 63.6 -31.0-172.1-156.0 94.2 -88.2 -34.8 28 47 A H B -g 45 0B 19 16,-2.7 18,-2.4 -2,-0.2 318,-0.2 -0.770 40.0-144.3 -94.0 125.8 94.8 -89.4 -38.3 29 48 A P S S+ 0 0 2 0, 0.0 20,-0.1 0, 0.0 -1,-0.1 0.547 96.5 27.4 -58.5 -14.7 93.1 -87.6 -41.2 30 49 A Y S S- 0 0 34 1,-0.4 15,-0.1 315,-0.2 17,-0.1 0.683 126.4 -14.6-122.8 -30.4 92.5 -90.7 -43.2 31 50 A F S S- 0 0 101 13,-0.1 -1,-0.4 15,-0.1 15,-0.2 -0.982 71.2 -82.9-168.9 162.5 92.3 -93.7 -40.9 32 51 A P - 0 0 54 0, 0.0 2,-0.7 0, 0.0 -5,-0.0 -0.353 33.5-132.6 -74.6 153.4 92.9 -95.0 -37.4 33 52 A I E +H 43 0C 48 10,-4.0 10,-2.9 -2,-0.1 9,-1.3 -0.906 40.1 157.8-110.7 104.9 96.3 -96.2 -36.3 34 53 A K E -H 41 0C 105 -2,-0.7 7,-0.2 7,-0.3 6,-0.1 -0.834 50.5 -75.6-125.0 163.6 96.0 -99.5 -34.5 35 54 A K - 0 0 104 5,-1.1 -1,-0.1 -2,-0.3 6,-0.0 -0.333 40.4-130.0 -58.0 132.5 98.3 -102.4 -33.7 36 55 A P S S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.904 108.0 26.0 -49.6 -50.9 98.9 -104.6 -36.9 37 56 A N S S+ 0 0 136 2,-0.0 -2,-0.1 0, 0.0 -3,-0.0 0.918 128.1 48.0 -79.0 -50.2 98.1 -107.8 -35.0 38 57 A N S S- 0 0 79 2,-0.1 -4,-0.1 1,-0.1 3,-0.0 0.480 72.2-142.7 -68.1-147.3 95.9 -106.3 -32.4 39 58 A N + 0 0 92 -6,-0.1 2,-0.1 0, 0.0 -1,-0.1 0.306 52.8 126.9-160.1 -20.3 93.0 -103.8 -32.9 40 59 A K - 0 0 155 1,-0.1 -5,-1.1 -6,-0.1 2,-0.8 -0.333 66.3-120.9 -54.8 119.9 93.2 -101.4 -30.0 41 60 A I E +H 34 0C 91 -7,-0.2 -7,-0.3 1,-0.2 -1,-0.1 -0.535 32.5 179.4 -70.7 104.9 93.3 -98.0 -31.6 42 61 A L E S+ 0 0 145 -9,-1.3 -8,-0.2 -2,-0.8 -1,-0.2 0.925 82.1 17.9 -68.9 -43.0 96.5 -96.3 -30.5 43 62 A V E S-H 33 0C 23 -10,-2.9 -10,-4.0 -3,-0.1 -1,-0.3 -0.995 82.4-139.4-132.1 133.6 95.5 -93.3 -32.7 44 63 A P - 0 0 63 0, 0.0 -16,-2.7 0, 0.0 2,-0.3 -0.535 28.1 -98.7 -91.8 156.4 92.0 -92.6 -34.0 45 64 A K B -g 28 0B 42 -18,-0.3 2,-0.3 -2,-0.2 -19,-0.0 -0.543 44.8-180.0 -70.9 132.8 90.9 -91.3 -37.4 46 65 A V + 0 0 10 -18,-2.4 2,-0.3 -2,-0.3 -19,-0.3 -0.841 10.4 152.0-143.3 103.1 90.3 -87.5 -37.1 47 66 A S > - 0 0 3 -2,-0.3 3,-2.0 132,-0.1 273,-0.1 -0.944 54.3-119.0-132.3 153.6 89.2 -85.4 -40.1 48 67 A G T 3 S+ 0 0 3 -2,-0.3 268,-0.6 1,-0.3 4,-0.1 0.499 112.0 66.1 -66.6 -0.1 87.3 -82.3 -40.6 49 68 A L T 3 S+ 0 0 21 -20,-0.1 133,-1.8 266,-0.1 2,-0.4 0.224 74.3 108.9-105.6 12.7 84.9 -84.4 -42.6 50 69 A Q B < S-I 181 0D 15 -3,-2.0 2,-0.7 131,-0.2 266,-0.3 -0.739 78.9-114.5 -90.2 136.4 83.7 -86.5 -39.6 51 70 A Y - 0 0 3 129,-3.0 128,-3.3 -2,-0.4 2,-0.8 -0.604 28.9-143.0 -71.3 112.4 80.2 -85.8 -38.5 52 71 A R E -K 314 0E 20 262,-2.5 262,-3.4 -2,-0.7 2,-0.5 -0.694 24.8-179.4 -82.9 112.5 80.6 -84.3 -35.1 53 72 A V E -K 313 0E 0 -2,-0.8 375,-2.1 260,-0.2 2,-0.5 -0.951 8.7-164.2-118.5 129.0 77.7 -85.5 -32.9 54 73 A F E -Kl 312 428E 0 258,-2.7 258,-1.5 -2,-0.5 2,-1.1 -0.934 15.3-159.1-119.6 126.7 77.2 -84.6 -29.3 55 74 A R E -Kl 311 429E 17 373,-3.1 375,-2.4 -2,-0.5 2,-0.7 -0.813 24.2-160.9 -97.9 92.0 75.0 -86.3 -26.8 56 75 A I E - l 0 430E 0 254,-1.4 2,-0.4 -2,-1.1 254,-0.3 -0.686 2.4-152.7 -82.4 115.1 74.6 -83.4 -24.4 57 76 A H E - l 0 431E 47 373,-3.3 375,-1.4 -2,-0.7 376,-0.3 -0.743 10.1-165.7 -92.0 130.5 73.5 -84.6 -21.0 58 77 A L - 0 0 8 250,-2.8 2,-0.2 -2,-0.4 375,-0.1 -0.827 25.3-106.3-115.0 153.1 71.5 -82.3 -18.7 59 78 A P - 0 0 13 0, 0.0 5,-0.1 0, 0.0 3,-0.1 -0.515 45.5 -97.6 -75.4 141.5 70.7 -82.5 -15.0 60 79 A D > - 0 0 37 -2,-0.2 4,-1.9 1,-0.2 20,-0.1 -0.435 28.2-151.7 -63.3 120.9 67.1 -83.5 -14.1 61 80 A P T 4 S+ 0 0 0 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.963 97.4 47.4 -56.8 -53.9 65.2 -80.2 -13.4 62 81 A N T 4 S+ 0 0 35 17,-0.4 -2,-0.1 1,-0.3 18,-0.1 0.879 116.9 44.1 -55.4 -39.4 62.8 -82.0 -11.0 63 82 A K T 4 S+ 0 0 184 16,-0.1 -1,-0.3 2,-0.1 -3,-0.1 0.705 95.4 103.5 -78.8 -20.8 65.8 -83.7 -9.3 64 83 A F S < S- 0 0 61 -4,-1.9 2,-0.8 -3,-0.5 0, 0.0 -0.283 75.5-123.9 -63.8 146.6 67.8 -80.5 -9.3 65 84 A G - 0 0 67 4,-0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.817 34.5-172.8 -98.0 105.0 68.1 -78.5 -6.0 66 85 A F - 0 0 31 -2,-0.8 3,-0.1 1,-0.1 0, 0.0 -0.481 30.4-128.8 -95.0 164.5 66.9 -75.0 -6.5 67 86 A P S S+ 0 0 118 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.990 98.8 24.2 -71.0 -68.5 66.9 -72.0 -4.2 68 87 A D + 0 0 92 1,-0.1 -2,-0.0 2,-0.0 0, 0.0 -0.779 60.5 177.5 -97.8 142.3 63.3 -71.0 -4.5 69 88 A T > + 0 0 81 -2,-0.4 3,-0.8 -3,-0.1 -1,-0.1 0.225 56.1 97.5-126.8 9.8 60.8 -73.7 -5.4 70 89 A S T 3 + 0 0 84 1,-0.2 -1,-0.0 3,-0.1 -2,-0.0 0.924 59.7 82.3 -65.0 -48.7 57.6 -71.7 -5.2 71 90 A F T 3 S+ 0 0 55 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.601 101.7 23.1 -32.8 -26.1 57.3 -70.9 -8.9 72 91 A Y S < S- 0 0 31 -3,-0.8 7,-0.0 5,-0.0 3,-0.0 -0.950 73.2-118.0-145.0 167.3 55.7 -74.3 -9.5 73 92 A N >> - 0 0 64 -2,-0.3 3,-1.9 1,-0.1 4,-1.5 -0.908 10.2-165.9-113.7 112.7 53.7 -77.2 -8.0 74 93 A P T 34 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.566 90.1 66.7 -67.4 -10.3 55.4 -80.6 -7.9 75 94 A D T 34 S+ 0 0 95 1,-0.1 3,-0.1 310,-0.0 313,-0.0 0.401 116.4 23.7 -91.8 3.1 52.0 -82.1 -7.1 76 95 A T T <4 S+ 0 0 60 -3,-1.9 288,-3.2 1,-0.3 2,-0.3 0.466 122.5 26.8-142.6 -11.1 50.7 -81.1 -10.5 77 96 A Q E < -D 363 0A 12 -4,-1.5 2,-0.3 286,-0.3 -1,-0.3 -0.957 55.7-134.0-152.5 170.1 53.6 -80.7 -12.9 78 97 A R E -D 362 0A 27 284,-1.1 284,-1.4 -2,-0.3 2,-0.3 -0.878 28.0-116.6-124.3 157.5 57.1 -81.8 -13.9 79 98 A L E -D 361 0A 0 -2,-0.3 -17,-0.4 282,-0.2 2,-0.4 -0.720 28.0-173.1 -98.6 146.2 60.0 -79.7 -14.9 80 99 A V E -D 360 0A 2 280,-3.4 280,-1.4 -2,-0.3 2,-0.4 -0.988 23.1-119.5-138.8 149.3 61.7 -79.8 -18.3 81 100 A W E -DE 359 305A 1 224,-0.6 224,-1.4 -2,-0.4 2,-0.4 -0.684 25.3-171.1 -89.6 135.7 64.7 -78.2 -19.8 82 101 A A E -DE 358 304A 0 276,-1.6 276,-3.4 -2,-0.4 2,-0.3 -0.988 13.9-143.6-129.0 122.6 64.3 -76.0 -22.8 83 102 A C E +D 357 0A 2 220,-1.5 274,-0.3 -2,-0.4 3,-0.1 -0.616 27.9 161.7 -83.5 147.4 67.3 -74.7 -24.8 84 103 A V E + 0 0 12 272,-2.9 210,-2.1 1,-0.4 2,-0.4 0.474 61.7 38.7-136.8 -21.9 67.0 -71.2 -26.1 85 104 A G E +DF 356 293A 0 271,-1.6 271,-2.2 208,-0.2 -1,-0.4 -0.998 56.7 170.1-141.1 138.8 70.5 -70.2 -26.9 86 105 A V E -DF 355 292A 3 206,-1.8 206,-2.7 -2,-0.4 2,-0.4 -0.999 9.6-172.7-147.2 144.8 73.5 -72.0 -28.4 87 106 A E E -DF 354 291A 17 267,-2.3 267,-0.8 -2,-0.3 2,-0.6 -0.993 15.8-145.7-138.8 128.5 77.0 -71.1 -29.6 88 107 A V E -D 353 0A 0 202,-0.8 201,-2.5 -2,-0.4 2,-0.6 -0.840 13.8-146.8 -98.8 121.5 79.4 -73.4 -31.4 89 108 A G E -D 352 0A 11 263,-3.6 263,-1.2 -2,-0.6 2,-0.6 -0.757 15.8-178.2 -92.4 123.0 83.0 -72.8 -30.6 90 109 A R E +D 351 0A 7 -2,-0.6 261,-0.2 261,-0.2 -2,-0.0 -0.972 4.4 175.4-118.0 112.6 85.5 -73.5 -33.4 91 110 A G + 0 0 36 259,-1.5 -1,-0.1 -2,-0.6 260,-0.1 0.780 44.3 92.5 -92.2 -29.8 89.1 -72.9 -32.2 92 111 A Q S S- 0 0 63 258,-0.4 2,-0.1 1,-0.1 3,-0.1 -0.308 83.5-101.5 -67.7 150.2 91.4 -74.0 -35.0 93 112 A P - 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