==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/IMMUNE SYSTEM 26-NOV-12 4I3S . COMPND 2 MOLECULE: OUTER DOMAIN OF HIV-1 GP120 (KER2018 OD4.2.2); . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS; . AUTHOR M.G.JOYCE,C.BIERTUMPFEL,G.J.NABEL,P.D.KWONG . 610 5 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29075.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 374 61.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 217 35.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 . 64 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 4 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 6 12 2 5 6 2 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 4 1 0 2 0 1 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 1 252 G K 0 0 171 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 105.7 36.3 -31.8 26.3 2 253 G P - 0 0 116 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.092 360.0 -88.6 -85.8-156.2 37.0 -31.7 22.4 3 254 G V + 0 0 67 2,-0.0 2,-0.4 235,-0.0 175,-0.0 -0.977 35.9 174.6-125.2 131.9 34.5 -31.7 19.5 4 255 G V + 0 0 37 -2,-0.4 2,-0.3 2,-0.0 173,-0.1 -0.974 22.8 116.3-133.9 124.1 32.9 -34.5 17.5 5 256 G S + 0 0 11 -2,-0.4 2,-0.3 92,-0.1 92,-0.1 -0.966 20.0 169.9-165.1 161.5 30.3 -34.4 14.7 6 257 G T - 0 0 29 169,-0.6 169,-0.4 171,-0.3 151,-0.2 -0.933 36.5-126.5-165.7 161.8 29.5 -35.1 11.0 7 258 G Q S S+ 0 0 0 88,-0.4 150,-1.5 85,-0.3 2,-0.4 0.872 99.4 37.2 -68.4 -43.8 26.7 -35.3 8.4 8 259 G L E S-A 156 0A 4 148,-0.2 2,-0.5 89,-0.1 148,-0.3 -0.942 78.8-135.6-116.2 133.3 27.5 -38.8 7.2 9 260 G L E -A 155 0A 29 146,-2.9 145,-2.2 -2,-0.4 146,-2.0 -0.798 29.6-159.1 -89.4 124.9 28.7 -41.7 9.4 10 261 G L E -A 153 0A 49 -2,-0.5 143,-0.2 143,-0.2 3,-0.1 -0.817 51.7 -4.7-114.0 152.4 31.6 -43.6 7.8 11 262 G N S S+ 0 0 108 141,-2.1 -1,-0.1 -2,-0.3 142,-0.1 0.540 95.0 114.2 50.2 24.3 33.3 -47.0 8.2 12 263 G G S S- 0 0 50 140,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.193 72.1 -44.3 -94.3-147.2 31.2 -48.2 11.1 13 264 G S - 0 0 72 -3,-0.1 2,-0.3 1,-0.0 24,-0.2 -0.649 51.0-143.4 -91.1 146.2 28.6 -51.0 11.5 14 265 G L - 0 0 71 -2,-0.3 24,-0.2 22,-0.1 141,-0.1 -0.774 24.0 -99.3-109.5 152.3 25.8 -51.8 8.9 15 266 G A - 0 0 8 22,-2.1 4,-0.1 -2,-0.3 -1,-0.1 -0.353 28.5-134.3 -66.2 144.5 22.2 -53.0 9.4 16 267 G E S S- 0 0 166 2,-0.2 -1,-0.1 -2,-0.0 3,-0.1 0.950 82.3 -18.5 -68.7 -52.6 21.6 -56.7 8.9 17 268 G K S S+ 0 0 142 1,-0.4 2,-0.3 2,-0.0 21,-0.1 0.699 127.2 26.2-121.1 -60.1 18.4 -56.8 6.6 18 269 G E S S- 0 0 118 1,-0.1 -1,-0.4 19,-0.1 -2,-0.2 -0.807 89.0 -86.8-114.8 155.7 16.5 -53.5 6.8 19 270 G I - 0 0 18 -2,-0.3 2,-0.3 49,-0.1 18,-0.2 -0.181 45.2-139.8 -55.4 142.5 17.5 -49.8 7.5 20 271 G R E -B 36 0A 129 16,-2.2 16,-2.4 2,-0.0 2,-0.4 -0.812 12.4-155.8-114.9 154.8 17.6 -48.7 11.2 21 272 G I E -B 35 0A 45 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.926 18.1-171.7-129.0 98.3 16.5 -45.5 13.2 22 273 G K E +B 34 0A 80 12,-3.2 12,-2.9 -2,-0.4 2,-0.2 -0.765 20.4 133.3 -98.5 140.5 18.3 -45.1 16.5 23 274 G S - 0 0 44 -2,-0.3 3,-0.2 10,-0.2 10,-0.1 -0.924 58.0-121.3-175.4 158.8 17.4 -42.3 19.2 24 275 G E S S- 0 0 119 8,-0.4 2,-0.2 1,-0.3 9,-0.1 0.741 109.4 -1.3 -80.3 -27.2 16.7 -41.7 22.9 25 276 G D > - 0 0 40 3,-0.2 3,-1.4 7,-0.2 -1,-0.3 -0.724 64.5-157.5-165.7 107.2 13.2 -40.3 22.1 26 277 G I T 3 S+ 0 0 36 1,-0.3 -2,-0.0 -3,-0.2 7,-0.0 0.724 96.6 54.3 -63.0 -24.0 12.1 -40.2 18.4 27 278 G S T 3 S+ 0 0 68 1,-0.1 2,-0.8 2,-0.0 -1,-0.3 0.480 88.9 93.0 -88.6 -3.8 9.4 -37.5 19.2 28 279 G D X - 0 0 3 -3,-1.4 3,-1.0 1,-0.2 -3,-0.2 -0.815 55.0-172.1 -95.3 99.3 12.1 -35.3 20.8 29 280 G N T 3 S+ 0 0 2 -2,-0.8 131,-0.2 1,-0.3 -1,-0.2 0.843 86.6 60.2 -60.3 -34.1 13.5 -32.9 18.1 30 281 G A T 3 S+ 0 0 0 129,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.773 94.9 80.8 -62.6 -29.5 16.3 -31.7 20.6 31 282 G K S < S- 0 0 16 -3,-1.0 129,-0.3 -6,-0.2 2,-0.2 -0.584 89.7-116.5 -80.9 141.9 17.4 -35.4 20.6 32 283 G N - 0 0 20 -2,-0.2 -8,-0.4 127,-0.1 2,-0.3 -0.579 19.9-139.2 -80.0 138.5 19.6 -36.6 17.6 33 284 G I E - C 0 158A 4 125,-2.8 125,-1.5 -2,-0.2 2,-0.5 -0.741 11.0-150.4 -95.6 146.0 18.3 -39.3 15.2 34 285 G I E -BC 22 157A 19 -12,-2.9 -12,-3.2 -2,-0.3 2,-0.4 -0.979 4.7-157.9-123.9 117.9 20.8 -42.0 13.9 35 286 G V E -BC 21 156A 4 121,-3.3 121,-1.6 -2,-0.5 2,-0.5 -0.815 5.4-164.2 -94.5 130.5 20.3 -43.6 10.5 36 287 G Q E -BC 20 155A 17 -16,-2.4 -16,-2.2 -2,-0.4 119,-0.2 -0.985 13.4-141.0-119.6 120.3 21.8 -47.1 9.9 37 288 G L E - 0 0 2 117,-2.1 -22,-2.1 -2,-0.5 -19,-0.1 -0.568 12.1-153.0 -86.8 145.8 22.2 -48.3 6.3 38 289 G T E S+ 0 0 42 -2,-0.2 -1,-0.1 -24,-0.2 -24,-0.1 0.887 89.4 33.5 -77.9 -44.6 21.7 -51.8 4.9 39 290 G K E S- 0 0 148 -25,-0.0 2,-0.4 26,-0.0 -1,-0.2 -0.947 90.7-118.4-116.3 131.6 24.1 -51.4 1.9 40 291 G P E - 0 0 45 0, 0.0 2,-0.5 0, 0.0 114,-0.2 -0.587 19.8-144.4 -76.8 125.5 27.2 -49.2 2.1 41 292 G V E - C 0 153A 3 112,-1.4 112,-3.5 -2,-0.4 2,-0.2 -0.767 23.2-126.3 -86.1 123.9 27.3 -46.3 -0.3 42 293 G L E - C 0 152A 64 -2,-0.5 2,-0.5 110,-0.2 16,-0.4 -0.481 18.6-157.2 -76.8 142.4 30.9 -45.7 -1.5 43 294 G I E - C 0 151A 4 108,-3.4 108,-2.4 -2,-0.2 2,-0.4 -0.969 8.5-173.7-125.7 115.9 32.6 -42.3 -1.2 44 295 G N E -DC 56 150A 76 12,-2.0 12,-4.0 -2,-0.5 2,-0.3 -0.927 3.6-173.3-110.5 129.4 35.5 -41.2 -3.4 45 296 G a E -DC 55 149A 8 104,-2.6 104,-2.3 -2,-0.4 2,-0.3 -0.869 2.0-175.3-119.7 156.7 37.5 -38.0 -3.0 46 297 G A E -DC 54 148A 12 8,-2.4 8,-2.4 -2,-0.3 102,-0.2 -0.982 20.6-170.2-153.8 138.5 40.2 -36.4 -5.1 47 298 G R E + C 0 147A 3 100,-2.8 100,-0.9 -2,-0.3 6,-0.2 -0.793 26.1 157.3-123.2 77.9 42.5 -33.3 -4.8 48 299 G P - 0 0 40 0, 0.0 97,-0.6 0, 0.0 2,-0.3 0.811 61.0 -0.8 -78.9 -30.2 44.1 -33.2 -8.4 49 300 G S S S- 0 0 57 3,-1.0 2,-0.6 95,-0.2 3,-0.5 -0.884 93.4 -47.2-148.2 177.7 45.1 -29.5 -8.5 50 301 G N S S- 0 0 102 1,-0.4 94,-0.0 -2,-0.3 3,-0.0 -0.865 123.4 -7.6 -93.2 116.9 45.2 -26.1 -6.8 51 302 G N S S+ 0 0 85 -2,-0.6 2,-0.6 84,-0.0 -1,-0.4 -0.646 104.4 111.3-118.8 51.2 42.6 -25.5 -5.6 52 303 G T + 0 0 61 -3,-0.5 -3,-1.0 82,-0.1 2,-0.3 -0.731 30.2 154.5 -86.5 117.6 40.4 -28.3 -7.0 53 304 G Q + 0 0 14 -2,-0.6 80,-1.5 80,-0.4 2,-0.3 -0.980 14.4 171.2-138.9 132.5 39.2 -30.9 -4.4 54 330 G Y E -DE 46 132A 88 -8,-2.4 -8,-2.4 -2,-0.3 2,-0.4 -0.970 27.4-143.7-147.7 161.9 36.0 -32.9 -4.8 55 331 G a E -DE 45 131A 0 76,-1.5 76,-3.2 -2,-0.3 2,-0.5 -0.996 20.0-154.2-128.3 119.5 33.9 -35.8 -3.3 56 332 G V E +DE 44 130A 46 -12,-4.0 -12,-2.0 -2,-0.4 2,-0.3 -0.902 14.9 174.5-111.2 127.9 32.0 -38.2 -5.7 57 333 G V E - E 0 129A 2 72,-1.8 72,-1.5 -2,-0.5 2,-0.4 -0.839 37.4-106.1-117.2 152.7 28.8 -40.2 -4.8 58 334 G N > - 0 0 52 -16,-0.4 4,-1.3 -2,-0.3 5,-0.1 -0.698 21.1-153.5 -83.8 131.5 26.7 -42.4 -7.1 59 335 G R H > S+ 0 0 123 -2,-0.4 4,-2.4 2,-0.2 5,-0.2 0.885 95.0 46.0 -72.4 -44.4 23.3 -40.8 -8.0 60 336 G T H > S+ 0 0 99 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.838 116.4 47.8 -67.5 -31.7 21.3 -44.0 -8.7 61 337 G Q H > S+ 0 0 81 2,-0.2 4,-1.5 3,-0.1 -2,-0.2 0.769 114.3 46.1 -76.8 -32.7 22.8 -45.5 -5.4 62 338 G W H X S+ 0 0 3 -4,-1.3 4,-2.9 2,-0.2 -2,-0.2 0.884 111.8 48.0 -79.4 -42.8 22.0 -42.3 -3.4 63 339 G N H X S+ 0 0 60 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.808 112.4 51.7 -65.6 -32.9 18.4 -41.9 -4.6 64 340 G D H X S+ 0 0 99 -4,-1.0 4,-1.3 -5,-0.2 -2,-0.2 0.955 113.8 44.6 -66.4 -46.8 17.8 -45.6 -3.9 65 341 G T H X S+ 0 0 22 -4,-1.5 4,-1.1 2,-0.2 3,-0.4 0.946 116.1 44.2 -58.3 -60.2 19.2 -45.1 -0.3 66 342 G L H X S+ 0 0 6 -4,-2.9 4,-2.1 1,-0.2 3,-0.4 0.859 111.0 52.9 -56.5 -45.5 17.2 -41.8 0.4 67 343 G G H X S+ 0 0 1 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.818 112.5 46.4 -61.2 -33.8 13.9 -43.1 -1.0 68 344 G Q H < S+ 0 0 85 -4,-1.3 4,-0.5 -3,-0.4 -1,-0.2 0.646 108.0 55.7 -82.1 -20.3 14.3 -46.2 1.3 69 345 G V H X S+ 0 0 8 -4,-1.1 4,-1.7 -3,-0.4 3,-0.5 0.840 106.4 52.6 -77.9 -34.6 15.2 -43.9 4.3 70 346 G A H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.849 102.7 56.9 -67.9 -36.2 11.9 -42.1 3.6 71 347 G I H < S+ 0 0 62 -4,-1.0 4,-0.4 1,-0.2 -1,-0.2 0.714 111.2 44.6 -67.7 -21.2 9.9 -45.4 3.7 72 348 G Q H 4 S+ 0 0 40 -4,-0.5 3,-0.4 -3,-0.5 -2,-0.2 0.795 110.0 52.7 -88.9 -35.8 11.4 -46.0 7.3 73 349 G L H >X S+ 0 0 2 -4,-1.7 4,-1.6 1,-0.2 3,-1.0 0.734 102.1 62.7 -70.6 -23.2 10.7 -42.4 8.5 74 350 G R T 3< S+ 0 0 20 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.841 89.1 68.7 -67.0 -35.4 7.1 -43.0 7.3 75 351 G K T 34 S+ 0 0 140 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.2 0.558 112.4 30.0 -61.9 -11.9 6.9 -45.8 10.0 76 352 G H T <4 S+ 0 0 86 -3,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.618 135.9 26.4-115.8 -33.8 7.0 -43.1 12.7 77 353 G W S < S- 0 0 40 -4,-1.6 2,-2.2 2,-0.1 -1,-0.2 -0.868 72.3-155.3-135.8 92.8 5.3 -40.2 10.8 78 356 G N + 0 0 139 -2,-0.3 2,-0.3 -3,-0.2 -4,-0.1 -0.526 62.7 97.3 -73.6 77.1 3.0 -41.5 8.1 79 357 G T S S- 0 0 48 -2,-2.2 -2,-0.1 -6,-0.1 90,-0.1 -0.922 84.4 -65.9-155.4 166.2 3.3 -38.3 6.1 80 358 G b - 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