==== 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 4I3R . 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 . 626 3 9 8 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29733.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 400 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 219 35.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 76 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 1 3 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 5 6 8 3 6 6 2 1 1 1 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 1 6 1 1 2 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 1 252 G K 0 0 177 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 94.5 59.8 -35.8 1.8 2 253 G P - 0 0 114 0, 0.0 2,-0.9 0, 0.0 0, 0.0 -0.641 360.0-142.9 -75.1 122.6 58.8 -37.8 -1.3 3 254 G V - 0 0 33 -2,-0.4 2,-1.2 2,-0.1 244,-0.0 -0.772 11.9-165.6 -90.0 104.0 60.1 -36.2 -4.5 4 255 G V + 0 0 75 -2,-0.9 180,-1.7 2,-0.0 2,-0.3 -0.735 47.8 103.0 -94.8 94.1 57.5 -36.6 -7.2 5 256 G S + 0 0 12 -2,-1.2 2,-0.2 178,-0.2 178,-0.1 -0.948 38.7 165.0-167.4 154.6 59.5 -35.8 -10.3 6 257 G T - 0 0 19 -2,-0.3 3,-0.1 176,-0.2 90,-0.1 -0.840 41.2-122.7-158.2-177.6 61.0 -37.8 -13.1 7 258 G Q S S+ 0 0 0 1,-0.4 155,-2.2 -2,-0.2 2,-0.4 0.680 98.1 27.6-106.6 -61.0 62.5 -38.0 -16.5 8 259 G L E S-A 161 0A 3 153,-0.2 2,-0.5 151,-0.0 -1,-0.4 -0.808 72.2-142.9-101.0 141.2 60.2 -40.5 -18.2 9 260 G L E -A 160 0A 51 151,-3.1 150,-2.6 -2,-0.4 151,-1.4 -0.901 22.3-154.8 -96.8 133.7 56.6 -41.1 -17.2 10 261 G L E -A 158 0A 50 -2,-0.5 148,-0.2 148,-0.2 151,-0.0 -0.870 61.0 -5.3-113.0 144.0 55.5 -44.7 -17.5 11 262 G N S S+ 0 0 105 146,-2.8 -1,-0.2 -2,-0.4 147,-0.1 0.694 92.8 134.7 52.6 29.6 52.1 -46.3 -18.0 12 263 G G - 0 0 37 145,-0.3 -1,-0.1 1,-0.2 2,-0.1 -0.154 62.7 -60.6 -91.5-170.5 50.2 -43.0 -17.8 13 264 G S - 0 0 53 -2,-0.1 2,-0.3 1,-0.0 -1,-0.2 -0.389 50.3-138.2 -71.5 153.8 47.4 -41.6 -20.0 14 265 G L - 0 0 71 22,-0.1 24,-0.2 -3,-0.1 2,-0.1 -0.851 16.7-112.0-112.4 149.0 48.1 -41.0 -23.7 15 266 G A - 0 0 4 22,-2.6 4,-0.1 -2,-0.3 5,-0.0 -0.489 32.6-121.2 -77.3 154.7 47.0 -38.0 -25.9 16 267 G E S S- 0 0 187 -2,-0.1 -1,-0.1 1,-0.1 3,-0.1 0.881 84.5 -11.1 -75.5 -45.9 44.4 -38.9 -28.5 17 268 G K S S+ 0 0 186 1,-0.4 2,-0.3 2,-0.0 -1,-0.1 0.620 126.0 18.8-129.4 -28.6 45.8 -38.1 -32.0 18 269 G E S S- 0 0 106 19,-0.1 -1,-0.4 20,-0.1 -2,-0.0 -0.955 87.0 -81.7-141.5 163.6 49.0 -36.1 -31.5 19 270 G I - 0 0 7 -2,-0.3 2,-0.4 49,-0.1 18,-0.2 -0.244 42.4-144.1 -58.5 148.2 51.6 -35.3 -28.9 20 271 G R E -B 36 0A 99 16,-1.7 16,-2.5 2,-0.0 2,-0.6 -0.982 7.3-156.6-123.2 130.6 50.7 -32.6 -26.4 21 272 G I E -B 35 0A 30 -2,-0.4 2,-0.4 14,-0.2 14,-0.2 -0.921 20.6-174.4-102.3 118.8 53.1 -30.1 -24.9 22 273 G K E +B 34 0A 56 12,-2.9 12,-3.1 -2,-0.6 2,-0.3 -0.937 14.9 148.4-121.7 137.2 51.8 -28.8 -21.5 23 274 G S - 0 0 38 -2,-0.4 3,-0.3 10,-0.2 10,-0.1 -0.947 50.8-125.7-160.3 143.2 53.2 -26.0 -19.2 24 275 G E S S- 0 0 102 8,-0.3 2,-0.2 1,-0.3 9,-0.1 0.769 111.4 -1.5 -60.5 -25.8 51.7 -23.5 -16.8 25 276 G D > - 0 0 40 7,-0.2 3,-0.6 3,-0.2 -1,-0.3 -0.768 66.5-159.1-163.6 118.4 53.6 -20.9 -18.9 26 277 G I T 3 S+ 0 0 33 -3,-0.3 -2,-0.1 1,-0.2 5,-0.1 0.827 93.0 57.4 -76.3 -26.0 55.8 -22.1 -21.8 27 278 G S T 3 S+ 0 0 59 -4,-0.1 2,-0.8 2,-0.1 -1,-0.2 0.696 87.5 87.9 -75.1 -19.5 57.9 -18.9 -21.8 28 279 G D X - 0 0 2 -3,-0.6 3,-1.3 1,-0.2 -3,-0.2 -0.739 62.7-163.8 -88.7 111.4 58.9 -19.5 -18.2 29 280 G N T 3 S+ 0 0 2 -2,-0.8 136,-0.4 1,-0.3 -1,-0.2 0.641 87.3 61.0 -72.8 -9.9 62.0 -21.6 -18.2 30 281 G A T 3 S+ 0 0 0 134,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.589 89.5 83.7 -93.3 -12.3 61.5 -22.4 -14.6 31 282 G K S < S- 0 0 5 -3,-1.3 134,-0.3 -6,-0.3 2,-0.1 -0.709 89.7 -99.6 -94.2 145.8 58.1 -24.0 -15.1 32 283 G N - 0 0 28 -2,-0.3 2,-0.7 151,-0.1 -8,-0.3 -0.312 21.2-145.1 -70.3 141.0 57.9 -27.7 -16.2 33 284 G I E - C 0 163A 3 130,-3.3 130,-2.7 -10,-0.1 2,-0.5 -0.903 18.7-165.7-103.2 108.1 57.4 -28.8 -19.8 34 285 G I E -BC 22 162A 29 -12,-3.1 -12,-2.9 -2,-0.7 2,-0.5 -0.817 3.6-158.5 -96.6 128.3 55.3 -32.0 -19.8 35 286 G V E -BC 21 161A 0 126,-3.4 126,-1.1 -2,-0.5 2,-0.7 -0.886 1.9-164.0-104.0 127.0 55.1 -34.1 -23.0 36 287 G Q E -BC 20 160A 19 -16,-2.5 -16,-1.7 -2,-0.5 124,-0.2 -0.924 16.9-146.4-110.4 107.5 52.1 -36.5 -23.4 37 288 G L E - 0 0 2 122,-2.3 -22,-2.6 -2,-0.7 -19,-0.1 -0.131 8.3-150.8 -67.7 166.3 52.9 -39.0 -26.2 38 289 G T E S+ 0 0 31 1,-0.5 -1,-0.1 -24,-0.2 -24,-0.1 0.737 88.4 29.5-109.4 -32.7 50.2 -40.3 -28.5 39 290 G K E S- 0 0 167 120,-0.0 -1,-0.5 -25,-0.0 2,-0.1 -0.998 93.1-126.0-125.6 132.8 51.7 -43.7 -29.2 40 291 G P E - 0 0 36 0, 0.0 2,-0.6 0, 0.0 119,-0.2 -0.426 6.7-132.5 -86.2 152.4 53.8 -45.1 -26.4 41 292 G V E - C 0 158A 0 117,-1.4 117,-3.3 -2,-0.1 2,-0.2 -0.914 25.7-129.8-103.1 121.3 57.4 -46.4 -26.6 42 293 G L E - C 0 157A 60 -2,-0.6 16,-0.6 115,-0.2 2,-0.4 -0.458 21.2-167.4 -73.3 136.7 57.9 -49.7 -25.0 43 294 G I E -DC 57 156A 3 113,-3.0 113,-2.0 -2,-0.2 2,-0.6 -0.973 2.3-166.3-128.7 118.5 60.8 -50.1 -22.5 44 295 G N E -DC 56 155A 62 12,-1.9 12,-2.3 -2,-0.4 2,-0.3 -0.897 8.6-176.0-107.0 117.9 62.0 -53.5 -21.2 45 296 G a E +DC 55 154A 6 109,-1.8 109,-2.3 -2,-0.6 2,-0.3 -0.844 9.8 162.0-113.7 150.5 64.3 -53.7 -18.2 46 297 G A E -DC 54 153A 23 8,-2.1 8,-1.6 -2,-0.3 107,-0.2 -0.997 34.7-139.1-165.1 158.5 65.9 -56.7 -16.7 47 298 G R E + C 0 152A 24 105,-2.4 105,-1.6 -2,-0.3 6,-0.2 -0.905 18.0 175.6-126.3 101.0 68.6 -58.2 -14.4 48 299 G P E - 0 0 56 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.945 67.2 -17.5 -67.1 -52.7 70.3 -61.4 -15.7 49 300 G S E > S-D 52 0A 61 3,-0.5 3,-1.0 1,-0.1 2,-0.2 -0.583 96.0 -45.3-136.6-165.9 72.9 -61.9 -13.0 50 301 G N T 3 S+ 0 0 103 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.518 122.3 5.2 -69.3 140.2 74.6 -60.1 -10.2 51 302 G N T 3 S+ 0 0 136 -2,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.694 106.6 106.5 58.7 23.9 75.9 -56.6 -11.1 52 303 G T E < +D 49 0A 54 -3,-1.0 -3,-0.5 2,-0.0 2,-0.3 -0.907 34.8 139.5-135.4 104.5 74.3 -56.7 -14.5 53 304 G Q E + 0 0 19 85,-0.4 85,-1.7 -2,-0.4 2,-0.3 -0.983 13.0 153.1-138.3 150.6 71.2 -54.6 -15.2 54 330 G Y E -DE 46 137A 93 -8,-1.6 -8,-2.1 -2,-0.3 2,-0.3 -0.960 30.6-130.3-163.5 164.2 70.1 -52.6 -18.2 55 331 G a E -DE 45 136A 0 81,-2.7 81,-2.6 -2,-0.3 2,-0.4 -0.891 17.6-150.4-113.3 151.2 67.1 -51.3 -20.1 56 332 G V E +DE 44 135A 39 -12,-2.3 -12,-1.9 -2,-0.3 2,-0.4 -0.977 15.4 174.1-123.7 140.7 66.3 -51.6 -23.8 57 333 G V E -DE 43 134A 1 77,-1.8 77,-2.9 -2,-0.4 -14,-0.1 -0.994 42.3-103.2-137.4 137.4 64.3 -49.3 -26.0 58 334 G N > - 0 0 63 -16,-0.6 4,-1.5 -2,-0.4 5,-0.1 -0.424 27.4-146.6 -61.7 131.9 64.0 -49.6 -29.7 59 335 G R H > S+ 0 0 52 2,-0.2 4,-2.9 3,-0.2 5,-0.2 0.921 92.9 45.6 -63.1 -48.2 66.2 -46.9 -31.2 60 336 G T H > S+ 0 0 80 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.943 113.2 47.2 -66.2 -52.6 64.1 -46.2 -34.3 61 337 G Q H > S+ 0 0 83 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.880 115.8 48.2 -55.2 -40.5 60.7 -45.9 -32.5 62 338 G W H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.949 113.5 44.4 -65.6 -51.9 62.4 -43.7 -29.9 63 339 G N H X S+ 0 0 49 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.880 112.5 51.8 -62.4 -40.9 64.1 -41.4 -32.3 64 340 G D H X S+ 0 0 90 -4,-3.0 4,-1.9 -5,-0.2 -1,-0.2 0.883 110.5 51.3 -63.7 -36.2 61.0 -41.2 -34.4 65 341 G T H X S+ 0 0 10 -4,-1.7 4,-1.7 -5,-0.3 -2,-0.2 0.954 106.2 52.6 -59.6 -53.0 59.2 -40.3 -31.2 66 342 G L H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.883 108.7 52.4 -52.6 -41.0 61.7 -37.5 -30.4 67 343 G G H X S+ 0 0 7 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.960 105.4 51.2 -61.2 -53.8 61.2 -36.0 -33.8 68 344 G Q H X S+ 0 0 100 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.789 112.4 50.0 -57.1 -27.4 57.4 -35.8 -33.5 69 345 G V H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.930 105.8 54.3 -73.1 -47.8 58.0 -34.1 -30.2 70 346 G A H X S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.800 105.7 54.5 -59.2 -28.2 60.5 -31.6 -31.7 71 347 G I H X S+ 0 0 85 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.957 107.9 48.5 -69.8 -44.9 57.8 -30.7 -34.2 72 348 G Q H >< S+ 0 0 22 -4,-1.3 3,-0.8 1,-0.2 4,-0.3 0.853 110.7 51.0 -61.0 -36.1 55.3 -29.9 -31.5 73 349 G L H >X S+ 0 0 0 -4,-2.2 3,-2.3 1,-0.2 4,-1.9 0.886 101.0 63.9 -65.8 -37.0 57.9 -27.8 -29.6 74 350 G R H 3< S+ 0 0 27 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.645 85.4 72.3 -63.9 -14.7 58.5 -25.9 -32.9 75 351 G K T << S+ 0 0 133 -3,-0.8 -1,-0.3 -4,-0.5 3,-0.2 0.779 110.3 32.2 -69.4 -22.2 55.0 -24.7 -32.7 76 352 G H T <4 S+ 0 0 93 -3,-2.3 2,-0.4 -4,-0.3 -2,-0.2 0.764 136.2 22.4 -98.2 -41.2 56.3 -22.4 -29.8 77 353 G W S < S- 0 0 43 -4,-1.9 2,-2.0 2,-0.1 -1,-0.3 -0.924 74.9-151.9-130.5 106.8 59.9 -21.8 -31.0 78 356 G N + 0 0 134 -2,-0.4 2,-0.3 -3,-0.2 -4,-0.1 -0.535 60.0 82.5 -83.8 75.0 60.3 -22.3 -34.7 79 357 G T S S- 0 0 28 -2,-2.0 95,-0.1 39,-0.1 -2,-0.1 -0.893 90.8 -47.3-149.5-170.8 64.0 -23.4 -34.8 80 358 G b - 0 0 16 93,-0.3 95,-1.5 -2,-0.3 2,-0.4 -0.439 57.1-148.4 -60.8 134.0 66.3 -26.3 -34.4 81 359 G I E -Fg 117 175B 0 36,-1.9 36,-2.8 93,-0.2 2,-0.4 -0.935 11.2-162.1-111.9 132.6 65.4 -28.1 -31.2 82 360 G I E -Fg 116 176B 31 93,-2.2 95,-3.5 -2,-0.4 2,-0.4 -0.920 8.3-156.8-117.4 137.0 68.1 -29.9 -29.1 83 361 G F E +Fg 115 177B 2 32,-2.0 32,-1.4 -2,-0.4 2,-0.3 -0.911 23.8 164.5-106.4 144.9 67.8 -32.6 -26.4 84 362 G N - 0 0 52 93,-2.1 30,-0.2 -2,-0.4 3,-0.1 -0.973 39.6 -94.2-153.5 155.9 70.5 -32.9 -23.9 85 363 G E - 0 0 88 -2,-0.3 9,-0.1 28,-0.2 25,-0.0 -0.439 57.1 -86.7 -77.0 153.3 71.2 -34.6 -20.5 86 364 G P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.196 22.2-139.0 -65.6 149.8 70.7 -32.4 -17.3 87 365 G S S S- 0 0 59 1,-0.2 2,-0.3 163,-0.2 164,-0.1 0.646 78.7 -22.3 -83.1 -15.3 73.5 -30.2 -16.0 88 366 G G S S+ 0 0 29 162,-0.1 162,-0.5 5,-0.1 2,-0.2 -0.965 73.9 114.9-175.3 176.4 72.7 -31.2 -12.4 89 367 G G - 0 0 31 -2,-0.3 159,-0.2 160,-0.2 2,-0.1 -0.719 57.7 -59.7 137.2 173.0 70.1 -32.5 -10.0 90 368 G D >> - 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