==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/IMMUNE SYSTEM 23-JUL-13 4LSS . COMPND 2 MOLECULE: ENVELOPE GLYCOPROTEIN GP120; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR T.ZHOU,S.MOQUIN,P.D.KWONG . 767 6 13 9 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34549.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 497 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 273 35.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 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 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 . 82 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 0 1 0 1 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 . 7 5 12 10 7 8 1 0 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 . 1 0 6 3 0 2 0 0 0 0 1 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 44 G V 0 0 140 0, 0.0 337,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 160.4 -19.8 33.7 36.6 2 45 G W E -A 337 0A 74 335,-0.2 2,-0.3 3,-0.0 335,-0.2 -0.883 360.0-142.8-136.2 169.0 -17.0 31.5 38.0 3 46 G K E -A 336 0A 111 333,-0.9 333,-1.6 -2,-0.3 2,-0.3 -0.949 41.8 -88.3-127.9 153.4 -14.2 29.2 36.8 4 47 G N E -A 335 0A 101 -2,-0.3 2,-0.3 331,-0.2 331,-0.2 -0.467 59.1-179.8 -59.3 121.6 -12.9 26.0 38.3 5 48 G A - 0 0 29 329,-0.7 2,-0.5 -2,-0.3 329,-0.2 -0.874 27.9-141.4-128.2 157.9 -10.2 27.2 40.7 6 49 G E + 0 0 151 -2,-0.3 2,-0.3 50,-0.0 329,-0.0 -0.979 37.4 146.0-120.3 118.5 -7.8 25.6 43.2 7 50 G T - 0 0 36 -2,-0.5 2,-0.3 329,-0.0 327,-0.0 -0.915 51.2 -83.2-142.7 171.0 -7.1 27.4 46.4 8 51 G T - 0 0 105 -2,-0.3 2,-0.2 1,-0.0 49,-0.1 -0.600 41.9-153.7 -77.7 133.2 -6.4 26.8 50.1 9 52 G L - 0 0 15 -2,-0.3 2,-0.3 94,-0.1 94,-0.2 -0.532 5.6-136.1 -94.1 168.2 -9.3 26.0 52.3 10 53 G F E -E 102 0B 89 92,-2.1 92,-3.4 -2,-0.2 2,-0.3 -0.918 15.6-128.5-122.3 156.7 -9.7 26.6 56.0 11 54 G a E -E 101 0B 10 19,-0.4 21,-2.1 -2,-0.3 2,-0.3 -0.798 18.3-169.7-106.5 146.2 -11.1 24.3 58.6 12 55 G A E +Ef 100 32B 3 88,-2.2 88,-2.9 -2,-0.3 2,-0.3 -0.970 13.6 159.0-130.2 146.7 -13.8 25.0 61.2 13 56 G S E - f 0 33B 5 19,-2.1 21,-0.6 -2,-0.3 86,-0.1 -0.969 46.7-116.3-158.8 169.3 -14.9 22.8 64.1 14 57 G D + 0 0 109 84,-0.5 14,-0.1 -2,-0.3 85,-0.1 -0.204 54.7 159.4-106.2 40.6 -16.6 23.0 67.5 15 58 G A - 0 0 21 17,-0.2 2,-0.4 12,-0.1 19,-0.1 -0.210 39.1-124.8 -63.1 151.9 -13.6 21.9 69.5 16 59 G K - 0 0 72 1,-0.1 3,-0.4 2,-0.0 12,-0.2 -0.870 6.9-150.3-102.3 133.5 -13.4 22.7 73.2 17 60 G A S S+ 0 0 86 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.652 96.2 53.4 -79.2 -15.5 -10.3 24.5 74.4 18 61 G Y S S+ 0 0 179 2,-0.0 -1,-0.2 6,-0.0 2,-0.1 0.663 87.9 101.2 -89.5 -17.5 -10.4 22.9 77.9 19 62 G K - 0 0 96 -3,-0.4 -4,-0.0 1,-0.1 0, 0.0 -0.429 57.7-157.9 -76.2 141.0 -10.4 19.4 76.5 20 63 G T + 0 0 111 -2,-0.1 73,-0.3 4,-0.1 -1,-0.1 0.517 54.3 119.0 -95.1 -9.0 -7.2 17.4 76.5 21 64 G E S > S- 0 0 11 1,-0.1 4,-2.5 71,-0.1 3,-0.4 -0.368 70.9-124.3 -62.6 136.9 -8.3 15.0 73.7 22 65 G V H > S+ 0 0 12 71,-2.3 4,-2.4 1,-0.3 5,-0.2 0.811 105.9 51.5 -59.8 -41.3 -6.0 15.2 70.7 23 66 G H H > S+ 0 0 2 70,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.892 114.0 46.5 -61.8 -39.8 -8.5 16.0 68.0 24 67 G N H > S+ 0 0 12 -3,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.928 110.8 51.8 -66.3 -45.8 -9.9 18.8 70.1 25 68 G V H X S+ 0 0 71 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.921 113.1 44.7 -57.9 -45.6 -6.4 20.1 70.9 26 69 G W H >X S+ 0 0 12 -4,-2.4 4,-2.4 1,-0.2 3,-0.9 0.917 112.8 48.7 -66.5 -46.7 -5.5 20.3 67.3 27 70 G A H 3X S+ 0 0 2 -4,-2.1 4,-1.3 1,-0.3 -1,-0.2 0.764 103.4 63.8 -67.9 -24.3 -8.7 21.8 66.0 28 71 G T H 3< S+ 0 0 63 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.833 118.3 24.5 -66.5 -30.7 -8.4 24.4 68.8 29 72 G H H << S+ 0 0 112 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.2 0.611 129.1 41.2-111.1 -17.5 -5.2 25.8 67.2 30 73 G A H < S+ 0 0 42 -4,-2.4 -19,-0.4 -5,-0.1 2,-0.3 0.526 114.3 47.7-109.2 -10.7 -5.5 24.8 63.6 31 74 G a S < S- 0 0 17 -4,-1.3 -19,-0.2 -5,-0.3 3,-0.1 -0.840 73.2-123.6-127.5 166.3 -9.2 25.6 63.0 32 75 G V E -f 12 0B 70 -21,-2.1 -19,-2.1 -2,-0.3 -17,-0.2 -0.677 44.3 -82.8-102.1 159.8 -11.6 28.3 63.7 33 76 G P E -f 13 0B 112 0, 0.0 -19,-0.2 0, 0.0 -1,-0.1 -0.230 53.2-105.6 -54.4 150.5 -14.9 28.1 65.6 34 77 G T - 0 0 38 -21,-0.6 -23,-0.0 -22,-0.1 -21,-0.0 -0.471 24.6-116.6 -76.1 152.3 -17.9 26.8 63.5 35 78 G D - 0 0 97 -2,-0.1 -1,-0.1 1,-0.1 -21,-0.0 -0.829 20.6-146.8 -84.2 121.4 -20.6 29.0 62.4 36 79 G P S S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.707 91.3 49.0 -65.2 -17.1 -23.7 27.7 64.1 37 80 G N S S- 0 0 116 -3,-0.0 0, 0.0 2,-0.0 0, 0.0 -0.558 80.5-161.8-126.9 67.7 -25.9 28.7 61.1 38 81 G P - 0 0 92 0, 0.0 2,-0.3 0, 0.0 -4,-0.0 -0.182 16.4-131.0 -50.2 132.0 -24.3 27.4 58.0 39 82 G Q + 0 0 129 2,-0.0 91,-0.8 0, 0.0 92,-0.4 -0.679 27.5 175.5 -89.0 139.8 -25.6 29.0 54.8 40 83 G E E -B 129 0A 96 -2,-0.3 2,-0.5 89,-0.2 89,-0.2 -0.889 4.8-174.5-145.3 116.0 -26.7 27.0 51.8 41 84 G I E -B 128 0A 99 87,-2.5 87,-3.6 -2,-0.3 2,-0.2 -0.929 18.0-138.3-111.9 129.6 -28.2 28.6 48.7 42 85 G H E -B 127 0A 100 -2,-0.5 2,-0.4 85,-0.3 85,-0.2 -0.563 16.1-143.5 -80.0 151.0 -29.6 26.6 45.8 43 86 G L E > -B 126 0A 44 83,-1.7 3,-0.6 -2,-0.2 83,-0.6 -0.970 13.5-132.8-122.1 128.8 -28.9 27.8 42.3 44 87 G E T 3 S- 0 0 168 -2,-0.4 3,-0.1 1,-0.2 81,-0.0 -0.426 76.2 -2.8 -85.9 154.0 -31.4 27.6 39.4 45 88 G N T 3 S+ 0 0 180 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.670 99.1 134.2 46.6 21.2 -31.0 26.4 35.8 46 89 G V < - 0 0 25 -3,-0.6 2,-0.3 78,-0.2 80,-0.3 -0.765 34.2-175.3-105.3 146.9 -27.3 25.8 36.7 47 90 G T - 0 0 70 -2,-0.3 2,-0.3 -3,-0.1 77,-0.2 -0.995 3.2-175.2-140.2 145.5 -25.2 22.8 35.9 48 91 G E E -H 123 0C 36 75,-1.7 75,-2.7 -2,-0.3 2,-0.5 -0.981 26.3-116.0-143.4 151.2 -21.6 22.0 36.8 49 92 G E E -H 122 0C 106 -2,-0.3 2,-0.4 73,-0.2 73,-0.2 -0.755 32.5-172.4 -87.7 126.9 -18.9 19.4 36.3 50 93 G F E +H 121 0C 4 71,-2.5 71,-2.3 -2,-0.5 2,-0.2 -0.936 15.3 167.7-118.9 143.5 -17.7 17.4 39.3 51 94 G N E > -H 120 0C 71 -2,-0.4 3,-1.8 69,-0.2 69,-0.2 -0.626 11.2-175.1-154.9 94.6 -14.9 14.9 39.7 52 95 G V G > S+ 0 0 2 67,-2.2 3,-1.8 1,-0.3 6,-0.2 0.813 85.4 63.4 -57.5 -32.9 -13.9 13.8 43.1 53 96 G W G 3 S+ 0 0 19 1,-0.3 -1,-0.3 66,-0.2 67,-0.1 0.631 111.9 36.8 -74.5 -11.9 -10.9 11.8 41.8 54 97 G K G < S+ 0 0 113 -3,-1.8 2,-0.7 4,-0.0 -1,-0.3 -0.099 91.1 125.3-121.4 32.3 -9.4 15.1 40.5 55 98 G N X> - 0 0 24 -3,-1.8 3,-2.0 1,-0.1 4,-0.7 -0.832 50.0-156.5-106.1 111.4 -10.5 17.2 43.5 56 99 G N H 3> S+ 0 0 47 -2,-0.7 4,-1.7 1,-0.3 -1,-0.1 0.631 87.9 74.3 -62.6 -15.5 -7.8 19.1 45.3 57 100 G M H 3> S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.884 92.8 55.8 -61.4 -38.2 -9.9 19.2 48.4 58 101 G V H <> S+ 0 0 2 -3,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.941 106.1 48.7 -59.8 -48.8 -9.1 15.5 48.9 59 102 G E H X S+ 0 0 73 -4,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.849 111.2 52.0 -60.4 -34.4 -5.4 16.2 48.9 60 103 G Q H X S+ 0 0 29 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.889 108.7 48.0 -71.7 -40.2 -5.8 19.0 51.3 61 104 G M H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.926 110.2 54.0 -64.5 -44.1 -7.8 16.9 53.9 62 105 G H H X S+ 0 0 11 -4,-2.3 4,-1.8 1,-0.2 5,-0.2 0.936 108.9 47.5 -55.0 -49.1 -5.2 14.2 53.6 63 106 G T H X S+ 0 0 80 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.878 112.2 50.0 -65.5 -36.2 -2.3 16.7 54.4 64 107 G D H X S+ 0 0 50 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.934 111.5 47.2 -62.9 -47.4 -4.2 18.1 57.4 65 108 G I H X S+ 0 0 6 -4,-2.6 4,-1.8 1,-0.3 -1,-0.2 0.755 109.0 53.3 -75.4 -22.8 -5.0 14.7 58.9 66 109 G I H X S+ 0 0 25 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.3 0.890 110.9 50.0 -66.7 -38.8 -1.4 13.7 58.4 67 110 G S H X S+ 0 0 44 -4,-1.7 4,-1.7 -5,-0.2 -2,-0.3 0.887 108.5 51.0 -67.2 -39.8 -0.7 16.9 60.3 68 111 G L H X S+ 0 0 4 -4,-2.5 4,-0.9 1,-0.2 5,-0.2 0.955 113.0 44.7 -63.3 -50.6 -3.1 16.0 63.1 69 112 G W H >X S+ 0 0 10 -4,-1.8 4,-1.9 1,-0.2 3,-0.6 0.894 111.5 53.1 -59.5 -42.0 -1.7 12.5 63.6 70 113 G D H 3< S+ 0 0 62 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.853 115.9 39.9 -65.7 -32.2 1.9 13.8 63.5 71 114 G Q H 3< S+ 0 0 124 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.534 122.9 40.3 -92.7 -5.4 1.2 16.4 66.2 72 115 G S H << S+ 0 0 9 -4,-0.9 -3,-0.2 -3,-0.6 -2,-0.2 0.847 93.4 72.4-112.0 -53.3 -1.0 14.2 68.4 73 116 G L < - 0 0 13 -4,-1.9 18,-0.1 -5,-0.2 21,-0.0 -0.414 59.8-155.6 -75.5 149.4 0.2 10.6 68.7 74 117 G K - 0 0 88 16,-0.2 2,-0.1 -2,-0.1 -1,-0.1 -0.718 10.7-171.8-132.7 80.2 3.2 9.9 70.8 75 118 G P - 0 0 3 0, 0.0 206,-0.3 0, 0.0 12,-0.1 -0.427 26.6-135.4 -72.6 145.8 5.1 6.7 70.0 76 119 G b S S+ 0 0 23 204,-2.3 11,-1.8 1,-0.2 2,-0.3 0.843 93.3 18.7 -69.5 -34.1 7.9 5.5 72.2 77 120 G V E -IJ 86 280D 35 203,-1.2 203,-2.5 9,-0.2 2,-0.4 -0.985 64.5-159.0-137.6 148.9 10.0 4.8 69.1 78 121 G K E -IJ 85 279D 61 7,-2.1 7,-1.5 -2,-0.3 2,-0.4 -0.866 15.4-164.3-132.3 98.1 9.8 6.0 65.6 79 122 G L E + J 0 278D 60 199,-2.2 199,-2.2 -2,-0.4 2,-0.2 -0.685 17.9 161.5 -91.6 131.1 11.6 3.8 63.0 80 123 G T - 0 0 83 -2,-0.4 2,-1.5 3,-0.3 197,-0.1 -0.754 68.8 -53.1-149.6 97.5 12.4 5.0 59.5 81 124 G G S S- 0 0 58 -2,-0.2 2,-0.3 3,-0.0 3,-0.1 -0.563 119.1 -1.4 79.1 -88.4 15.1 3.2 57.5 82 198 G G S S+ 0 0 52 -2,-1.5 -2,-0.1 1,-0.3 0, 0.0 -0.978 119.0 18.2-135.2 150.6 18.0 3.2 59.9 83 199 G S S S- 0 0 115 -2,-0.3 2,-0.3 1,-0.1 -3,-0.3 0.820 71.8-142.8 55.8 118.3 18.4 4.7 63.4 84 200 G A - 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