==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/IMMUNE SYSTEM 20-NOV-06 2NY7 . COMPND 2 MOLECULE: ENVELOPE GLYCOPROTEIN GP120; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR T.ZHOU,L.XU,B.DEY,A.J.HESSELL,D.VAN RYK,S.H.XIANG,X.YANG,M.Y . 735 5 13 7 6 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34196.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 471 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 257 35.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 83 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.7 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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 6 6 11 5 8 8 2 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 5 1 1 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 83 G E 0 0 208 0, 0.0 80,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 -14.2 122.6 168.4 274.0 2 84 G V - 0 0 119 77,-0.1 78,-1.1 1,-0.0 2,-0.4 -0.256 360.0-135.7 -77.0 167.4 121.7 171.8 275.3 3 85 G V B +A 79 0A 70 76,-0.2 2,-0.3 -2,-0.0 76,-0.2 -0.988 28.0 157.2-134.7 129.6 118.2 173.4 275.1 4 86 G L - 0 0 125 74,-0.6 74,-0.4 -2,-0.4 3,-0.1 -0.983 19.2-150.0-145.7 158.2 117.0 176.8 274.1 5 87 G V + 0 0 79 -2,-0.3 72,-0.1 72,-0.1 3,-0.1 -0.019 56.5 97.4-108.6-152.1 113.7 178.3 272.7 6 88 G N S S+ 0 0 163 1,-0.1 2,-0.3 70,-0.1 -1,-0.1 0.699 78.2 90.4 71.7 22.1 112.5 181.2 270.5 7 89 G V - 0 0 83 69,-0.5 2,-0.3 -3,-0.1 71,-0.2 -0.874 63.2-153.7-150.2 113.6 112.3 178.8 267.5 8 90 G T - 0 0 87 -2,-0.3 2,-0.3 69,-0.1 68,-0.2 -0.646 12.1-176.1 -92.0 143.5 109.2 176.9 266.6 9 91 G E E -D 75 0B 66 66,-1.8 66,-1.1 -2,-0.3 2,-0.3 -1.000 23.7-121.5-140.6 138.4 109.2 173.6 264.7 10 92 G N E -D 74 0B 111 -2,-0.3 2,-0.3 64,-0.2 62,-0.0 -0.604 27.9-166.0 -83.3 136.5 106.4 171.4 263.4 11 93 G F E +D 73 0B 7 62,-3.0 62,-1.6 -2,-0.3 2,-0.1 -0.883 18.0 173.8-120.9 151.0 106.1 167.7 264.6 12 94 G N E > -D 72 0B 58 -2,-0.3 4,-2.4 60,-0.2 60,-0.2 -0.558 10.1-170.8-156.8 88.9 104.1 164.7 263.4 13 95 G W T 4 S+ 0 0 26 58,-1.5 5,-0.2 271,-0.2 59,-0.1 0.536 87.0 55.4 -60.6 -5.5 104.9 161.4 265.1 14 96 G a T >4 S+ 0 0 41 57,-0.1 3,-0.9 2,-0.1 -1,-0.2 0.921 111.0 35.8 -91.9 -59.2 102.8 159.7 262.4 15 97 G K T 34 S+ 0 0 175 1,-0.3 2,-0.3 -3,-0.1 -2,-0.2 0.840 124.2 48.6 -61.4 -33.3 104.3 160.8 259.1 16 98 G N T 3< S+ 0 0 70 -4,-2.4 2,-0.6 270,-0.1 -1,-0.3 -0.372 74.7 170.2-106.9 52.0 107.7 160.7 260.8 17 99 G D X - 0 0 39 -3,-0.9 3,-0.5 -2,-0.3 -3,-0.1 -0.509 13.0-169.6 -65.1 112.2 107.5 157.2 262.5 18 100 G M T 3 S+ 0 0 6 -2,-0.6 3,-0.3 1,-0.2 -1,-0.2 0.394 78.5 67.1 -96.7 4.9 111.0 156.7 263.7 19 101 G V T > S+ 0 0 12 1,-0.2 3,-1.5 2,-0.1 -1,-0.2 0.593 88.1 74.3 -85.3 -13.9 110.9 153.1 264.7 20 102 G E T < S+ 0 0 132 -3,-0.5 -2,-0.2 1,-0.3 -1,-0.2 0.559 98.2 45.5 -70.8 -9.6 110.4 152.7 260.9 21 103 G Q T 3 S+ 0 0 81 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.1 -0.148 95.1 77.7-123.8 36.6 114.2 153.5 260.7 22 104 G M < + 0 0 33 -3,-1.5 2,-0.8 31,-0.1 -1,-0.1 -0.233 53.4 134.5-131.7 41.9 115.2 151.2 263.6 23 105 G H + 0 0 160 -3,-0.2 2,-0.2 3,-0.0 3,-0.1 -0.336 23.3 141.8 -98.4 53.3 115.1 147.9 261.6 24 106 G E - 0 0 147 -2,-0.8 5,-0.1 1,-0.1 -2,-0.0 -0.588 59.3 -82.3 -90.1 156.7 118.3 146.2 262.6 25 107 G D > - 0 0 75 -2,-0.2 3,-1.8 1,-0.1 4,-0.3 -0.113 34.5-116.2 -61.4 153.0 118.6 142.4 263.2 26 108 G I G >> S+ 0 0 25 202,-0.4 3,-1.8 1,-0.3 4,-0.5 0.798 108.8 70.9 -59.2 -30.7 117.6 140.9 266.6 27 109 G b G 34 S+ 0 0 37 1,-0.3 -1,-0.3 201,-0.2 201,-0.1 0.542 96.0 53.1 -69.0 -5.3 121.2 139.7 267.2 28 110 G S G <4 S+ 0 0 44 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.446 95.6 65.5-107.6 -4.4 122.3 143.3 267.8 29 111 G L T <4 S+ 0 0 33 -3,-1.8 20,-2.1 -4,-0.3 2,-0.4 0.552 105.6 52.7 -86.4 -10.6 119.6 144.1 270.4 30 112 G W E < -E 48 0C 10 -4,-0.5 2,-0.3 18,-0.2 -1,-0.1 -0.981 67.1-166.0-127.8 136.3 121.3 141.6 272.6 31 113 G D E -E 47 0C 110 16,-1.7 16,-2.0 -2,-0.4 2,-0.4 -0.913 35.6-101.2-116.3 150.5 125.0 141.3 273.6 32 114 G Q E -E 46 0C 111 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.553 41.9-128.8 -70.0 123.8 126.6 138.3 275.3 33 115 G S - 0 0 25 12,-2.8 12,-0.5 -2,-0.4 -1,-0.1 -0.559 19.4-167.2 -80.8 136.5 126.9 139.0 279.0 34 116 G L + 0 0 148 -2,-0.3 -1,-0.1 10,-0.1 3,-0.1 0.282 36.9 144.7-101.9 7.0 130.3 138.5 280.7 35 117 G K - 0 0 140 1,-0.1 2,-0.4 2,-0.1 -2,-0.1 -0.275 63.6-111.2 -48.0 113.2 128.7 138.7 284.2 36 118 G P - 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.339 25.7-158.2 -52.5 105.5 130.8 136.3 286.3 37 119 G c 0 0 78 -2,-0.4 -2,-0.1 1,-0.2 -3,-0.0 0.570 360.0 360.0 -66.2 -7.5 128.1 133.6 286.9 38 120 G V 0 0 178 3,-0.0 -1,-0.2 0, 0.0 -3,-0.0 0.958 360.0 360.0 -74.2 360.0 130.3 132.7 289.9 39 ! 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 40 204 G A 0 0 138 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -57.3 123.2 126.2 288.3 41 205 G c - 0 0 75 2,-0.0 2,-0.3 1,-0.0 3,-0.0 -0.694 360.0-130.5-100.9 146.7 124.7 128.4 285.5 42 206 G P - 0 0 46 0, 0.0 -5,-0.1 0, 0.0 3,-0.1 -0.728 23.2-125.5 -86.3 146.1 124.0 128.6 281.8 43 207 G K S S+ 0 0 205 -2,-0.3 2,-0.4 1,-0.2 -2,-0.0 0.944 94.4 15.9 -56.5 -54.4 127.0 128.5 279.4 44 208 G V S S- 0 0 51 180,-0.1 2,-0.3 -3,-0.0 -1,-0.2 -0.959 72.5-167.9-122.5 143.3 126.2 131.7 277.7 45 209 G S - 0 0 32 -12,-0.5 -12,-2.8 -2,-0.4 2,-0.4 -0.933 8.6-143.2-129.2 155.4 123.8 134.5 278.8 46 210 G F E -E 32 0C 29 177,-0.4 -14,-0.2 -2,-0.3 177,-0.1 -0.920 5.8-162.4-123.2 142.1 122.3 137.5 277.1 47 211 G E E -E 31 0C 78 -16,-2.0 -16,-1.7 -2,-0.4 2,-0.3 -0.967 23.0-123.4-119.4 138.8 121.4 141.0 278.3 48 212 G P E -E 30 0C 23 0, 0.0 -18,-0.2 0, 0.0 -19,-0.1 -0.587 18.2-140.0 -77.5 138.3 119.1 143.4 276.5 49 213 G I - 0 0 60 -20,-2.1 3,-0.1 -2,-0.3 38,-0.1 -0.891 34.9 -99.5 -97.6 128.4 120.5 146.8 275.5 50 214 G P - 0 0 58 0, 0.0 2,-0.3 0, 0.0 38,-0.2 -0.133 41.9-110.7 -48.6 134.3 118.0 149.7 276.1 51 215 G I B +F 87 0D 8 36,-2.2 36,-2.3 35,-0.1 2,-0.3 -0.539 56.2 143.0 -74.6 128.5 116.3 150.6 272.8 52 216 G H - 0 0 81 -2,-0.3 2,-0.4 34,-0.2 33,-0.1 -0.969 40.3-128.5-156.7 164.5 117.3 154.0 271.5 53 217 G Y - 0 0 26 -2,-0.3 31,-2.8 32,-0.0 2,-0.4 -0.987 14.8-163.1-126.0 130.4 118.0 155.9 268.3 54 218 G d B -G 83 0E 48 -2,-0.4 29,-0.3 29,-0.3 28,-0.1 -0.924 26.9-114.8-111.9 137.6 121.0 157.9 267.4 55 219 G A - 0 0 5 27,-4.5 3,-0.1 -2,-0.4 6,-0.1 -0.535 30.0-128.4 -72.9 126.4 121.1 160.4 264.5 56 220 G P > - 0 0 66 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.198 45.7 -68.3 -65.1 164.4 123.6 159.4 261.7 57 221 G A T 3 S+ 0 0 99 1,-0.3 3,-0.1 3,-0.0 234,-0.0 -0.254 124.4 27.6 -56.9 139.5 126.1 162.0 260.5 58 222 G G T 3 S+ 0 0 47 1,-0.2 233,-2.3 -3,-0.1 2,-0.3 0.349 112.4 83.1 88.1 -5.4 124.6 164.9 258.7 59 223 G F E < -B 290 0A 89 -3,-1.8 2,-0.3 231,-0.2 -1,-0.2 -0.938 56.6-164.7-129.9 152.7 121.3 164.5 260.6 60 224 G A E -B 289 0A 16 229,-2.2 229,-2.4 -2,-0.3 2,-0.5 -0.961 20.5-123.0-133.8 153.4 120.1 165.7 264.1 61 225 G I E -BC 288 81A 0 20,-2.1 20,-2.3 -2,-0.3 2,-0.5 -0.857 18.8-148.5 -99.2 124.5 117.2 164.7 266.3 62 226 G L E -BC 287 80A 21 225,-3.1 225,-1.1 -2,-0.5 2,-0.6 -0.790 12.1-159.1 -89.2 128.8 114.8 167.4 267.4 63 227 G K E -BC 286 79A 35 16,-3.0 16,-1.0 -2,-0.5 2,-0.6 -0.933 9.5-143.5-115.8 115.4 113.3 166.8 270.9 64 228 G e E - C 0 78A 0 221,-2.9 14,-0.2 -2,-0.6 5,-0.1 -0.646 11.6-169.4 -76.0 118.2 110.0 168.5 271.9 65 229 G N + 0 0 49 12,-3.4 2,-0.9 -2,-0.6 13,-0.1 0.292 47.2 119.2 -95.5 8.7 110.2 169.4 275.6 66 230 G N - 0 0 67 11,-0.5 -2,-0.1 1,-0.2 12,-0.0 -0.680 55.1-153.4 -75.1 107.3 106.6 170.3 276.0 67 231 G K S S+ 0 0 138 -2,-0.9 2,-1.1 1,-0.2 -1,-0.2 0.928 84.9 51.1 -48.4 -64.0 105.4 167.8 278.6 68 232 G T S S+ 0 0 77 -3,-0.1 2,-0.3 34,-0.1 -1,-0.2 -0.682 79.5 139.3 -80.1 99.9 101.7 167.7 277.5 69 233 G F - 0 0 13 -2,-1.1 4,-0.1 -5,-0.1 215,-0.0 -0.928 49.5-149.9-152.0 117.5 102.0 167.1 273.8 70 234 G N - 0 0 93 -2,-0.3 40,-0.2 2,-0.2 3,-0.1 0.531 53.1-106.8 -67.6 -6.2 99.9 164.8 271.6 71 235 G G S S+ 0 0 0 1,-0.3 -58,-1.5 38,-0.1 2,-0.3 0.124 92.7 74.3 102.7 -19.8 102.9 164.1 269.3 72 236 G T E S+D 12 0B 59 -60,-0.2 -1,-0.3 -59,-0.1 -60,-0.2 -0.803 71.1 37.1-125.6 166.0 101.6 166.2 266.5 73 237 G G E S-D 11 0B 27 -62,-1.6 -62,-3.0 -2,-0.3 2,-0.1 -0.513 97.2 -22.9 92.0-164.9 101.2 169.9 265.6 74 238 G P E -D 10 0B 99 0, 0.0 2,-0.3 0, 0.0 -64,-0.2 -0.371 51.7-160.4 -80.6 160.4 103.6 172.7 266.5 75 239 G e E -D 9 0B 3 -66,-1.1 -66,-1.8 1,-0.1 3,-0.1 -0.953 12.1-176.9-145.7 121.8 106.2 172.7 269.4 76 240 G T S S+ 0 0 93 -2,-0.3 2,-1.2 -68,-0.2 -69,-0.5 0.932 74.5 63.0 -84.4 -51.2 107.8 175.8 270.9 77 241 G N S S+ 0 0 53 -72,-0.1 -12,-3.4 -71,-0.1 -11,-0.5 -0.653 73.5 160.8 -81.5 97.3 110.2 174.2 273.5 78 242 G V E - C 0 64A 13 -2,-1.2 -74,-0.6 -74,-0.4 2,-0.3 -0.770 17.8-173.5-117.0 159.7 112.6 172.2 271.3 79 243 G S E -AC 3 63A 9 -16,-1.0 -16,-3.0 -2,-0.3 2,-0.5 -0.974 21.9-120.4-148.3 162.5 116.1 170.8 271.8 80 244 G T E + C 0 62A 73 -78,-1.1 2,-0.3 -2,-0.3 -18,-0.2 -0.922 35.7 158.0-111.9 124.5 118.9 169.1 269.8 81 245 G V E - C 0 61A 30 -20,-2.3 -20,-2.1 -2,-0.5 3,-0.1 -0.904 38.2-143.7-133.0 164.3 120.2 165.6 270.7 82 246 G Q S S+ 0 0 120 -2,-0.3 -27,-4.5 1,-0.2 2,-0.3 0.680 87.7 36.0 -98.2 -22.8 122.0 162.9 268.8 83 247 G d B S-G 54 0E 49 -29,-0.3 -29,-0.3 -22,-0.1 -1,-0.2 -0.966 74.5-129.4-132.1 146.5 120.2 160.0 270.5 84 248 G T - 0 0 9 -31,-2.8 2,-0.2 -2,-0.3 3,-0.1 -0.398 47.8 -81.0 -81.2 168.1 116.7 159.4 271.9 85 249 G H - 0 0 59 197,-0.2 -1,-0.1 1,-0.1 -32,-0.0 -0.501 53.4 -96.4 -78.2 140.5 116.3 158.1 275.5 86 250 G G - 0 0 40 -2,-0.2 2,-0.5 -34,-0.1 -34,-0.2 -0.200 33.3-139.6 -57.1 139.0 116.7 154.4 276.1 87 251 G I B -F 51 0D 11 -36,-2.3 -36,-2.2 -38,-0.1 -1,-0.1 -0.908 20.1-147.7-108.0 122.8 113.6 152.3 276.2 88 252 G R S S+ 0 0 116 -2,-0.5 2,-0.1 -38,-0.2 97,-0.1 -0.989 75.5 35.8-143.6 129.3 113.3 149.6 278.8 89 253 G P S S- 0 0 9 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 0.481 76.9-147.7 -78.3 161.3 111.9 146.9 278.8 90 254 G V S S+ 0 0 6 -2,-0.1 2,-0.4 96,-0.1 189,-0.1 0.759 83.5 34.7 -72.1 -29.4 112.7 146.2 275.1 91 255 G V + 0 0 8 93,-0.2 93,-1.2 187,-0.1 2,-0.2 -0.982 60.8 154.6-124.0 145.0 109.5 144.2 274.6 92 256 G S B -H 183 0F 4 -2,-0.4 186,-0.2 183,-0.4 91,-0.2 -0.695 16.0-172.0-167.6 107.8 106.1 144.9 276.2 93 257 G S S S- 0 0 2 89,-2.0 179,-0.7 -2,-0.2 88,-0.1 0.838 76.6 -4.9 -81.0 -35.6 103.0 143.8 274.5 94 258 G Q S S+ 0 0 0 1,-0.3 159,-2.9 177,-0.2 177,-0.4 0.698 120.2 49.1-127.1 -65.4 100.1 145.3 276.5 95 259 G L E S-L 252 0G 0 157,-0.2 2,-0.5 175,-0.1 -1,-0.3 -0.499 72.7-134.8 -78.3 153.8 101.1 147.2 279.6 96 260 G L E -L 251 0G 13 155,-3.1 154,-3.2 -2,-0.2 155,-1.4 -0.967 25.5-164.6-113.4 123.5 103.9 149.8 279.5 97 261 G L E +L 249 0G 7 -2,-0.5 152,-0.2 152,-0.3 -9,-0.2 -0.782 58.3 2.8-113.8 149.8 106.4 149.6 282.3 98 262 G N S S+ 0 0 80 150,-2.5 -1,-0.2 -2,-0.3 -10,-0.2 0.658 91.3 137.1 55.9 21.2 109.1 151.9 283.7 99 263 G G - 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