==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 17-AUG-11 3TGQ . COMPND 2 MOLECULE: HIV-1 YU2 GP120; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR Y.D.KWON,P.D.KWONG . 1344 16 28 16 12 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61620.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 894 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 370 27.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 8 0.6 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 . 217 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 3 0 0 4 0 0 0 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 4 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 . 17 8 20 24 4 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 4 2 8 0 0 1 4 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 45 A W 0 0 122 0, 0.0 2,-0.3 0, 0.0 337,-0.2 0.000 360.0 360.0 360.0 140.9 -85.5 -65.7 2.8 2 46 A K E -A 337 0A 173 335,-1.1 335,-3.3 337,-0.1 2,-0.6 -0.927 360.0-108.2-121.8 148.8 -83.7 -67.6 5.5 3 47 A E E +A 336 0A 101 -2,-0.3 2,-0.3 333,-0.3 333,-0.2 -0.624 47.3 170.3 -77.2 116.8 -80.1 -69.0 5.6 4 48 A A - 0 0 34 -2,-0.6 2,-0.7 331,-0.5 331,-0.1 -0.819 35.7-116.4-124.4 164.4 -80.2 -72.8 5.4 5 49 A T + 0 0 101 -2,-0.3 2,-0.2 50,-0.0 -2,-0.0 -0.895 46.1 158.0-105.6 111.7 -77.6 -75.6 4.9 6 50 A T - 0 0 24 -2,-0.7 2,-1.0 97,-0.0 329,-0.0 -0.558 50.3 -83.0-121.2-176.0 -78.1 -77.5 1.6 7 51 A T - 0 0 115 -2,-0.2 -2,-0.0 52,-0.0 0, 0.0 -0.799 49.3-155.1 -94.9 98.4 -76.1 -79.7 -0.8 8 52 A L - 0 0 22 -2,-1.0 2,-0.4 94,-0.1 94,-0.2 -0.230 1.8-145.9 -68.5 158.8 -74.2 -77.3 -3.0 9 53 A F E -E 101 0B 75 92,-1.2 92,-2.1 22,-0.0 2,-0.2 -0.998 12.5-134.9-128.4 134.4 -73.1 -78.2 -6.5 10 54 A a E -Ef 100 30B 4 19,-0.5 21,-1.2 -2,-0.4 2,-0.3 -0.589 12.8-156.3 -90.3 148.1 -69.9 -76.9 -8.1 11 55 A A E +Ef 99 31B 1 88,-5.0 88,-3.5 19,-0.2 2,-0.3 -0.902 19.3 162.9-119.9 152.2 -69.5 -75.5 -11.6 12 56 A S E -Ef 98 32B 5 19,-2.9 21,-0.9 -2,-0.3 2,-0.3 -0.983 46.4-120.7-159.9 165.3 -66.3 -75.4 -13.7 13 57 A D + 0 0 67 84,-0.5 2,-0.4 -2,-0.3 14,-0.1 -0.533 54.2 158.5-108.3 61.1 -64.8 -75.0 -17.2 14 58 A A - 0 0 22 -2,-0.3 2,-0.4 12,-0.2 -2,-0.1 -0.746 36.2-138.0 -94.2 130.0 -63.0 -78.3 -17.1 15 59 A K - 0 0 64 -2,-0.4 3,-0.5 1,-0.1 12,-0.1 -0.706 5.2-146.0 -85.6 132.6 -61.9 -80.0 -20.3 16 60 A A S S+ 0 0 86 -2,-0.4 -1,-0.1 1,-0.2 11,-0.0 0.746 98.3 54.6 -70.2 -24.2 -62.5 -83.7 -20.4 17 61 A Y S S+ 0 0 40 412,-0.1 413,-2.5 609,-0.1 2,-0.4 0.720 85.7 95.1 -82.9 -22.6 -59.3 -84.3 -22.5 18 62 A D B -i 430 0C 10 -3,-0.5 413,-0.1 411,-0.2 410,-0.0 -0.568 59.3-161.4 -72.3 126.7 -57.1 -82.6 -20.0 19 63 A T + 0 0 54 411,-0.6 73,-0.4 -2,-0.4 2,-0.3 0.281 49.7 125.6 -94.0 9.6 -55.5 -85.1 -17.6 20 64 A E S >> S- 0 0 6 1,-0.1 4,-1.6 71,-0.1 3,-0.8 -0.587 71.5-122.7 -66.9 128.3 -54.6 -82.4 -15.1 21 65 A V H 3> S+ 0 0 14 71,-1.5 4,-2.6 -2,-0.3 5,-0.2 0.737 107.6 51.8 -52.5 -35.2 -56.2 -83.7 -11.9 22 66 A H H 3> S+ 0 0 3 70,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.918 110.5 48.5 -68.1 -43.3 -58.4 -80.6 -11.3 23 67 A N H <> S+ 0 0 3 -3,-0.8 4,-0.8 1,-0.2 -2,-0.2 0.785 114.5 47.7 -63.1 -29.8 -59.8 -80.8 -14.8 24 68 A V H < S+ 0 0 68 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.866 112.5 46.5 -79.5 -40.8 -60.4 -84.5 -14.2 25 69 A W H >X S+ 0 0 10 -4,-2.6 4,-3.0 1,-0.2 3,-0.8 0.861 113.6 49.8 -67.3 -36.7 -62.1 -84.0 -10.8 26 70 A A H 3X S+ 0 0 2 -4,-2.4 4,-1.1 1,-0.3 -1,-0.2 0.746 104.9 56.2 -77.8 -24.5 -64.2 -81.2 -12.1 27 71 A T H 3< S+ 0 0 64 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.433 118.5 37.2 -81.4 0.9 -65.4 -83.2 -15.1 28 72 A H H <4 S+ 0 0 149 -3,-0.8 -2,-0.2 -4,-0.1 -3,-0.1 0.711 129.5 25.0-115.1 -43.0 -66.5 -85.7 -12.6 29 73 A A H < S+ 0 0 48 -4,-3.0 -19,-0.5 -5,-0.1 2,-0.2 0.425 116.7 55.9-108.8 -2.0 -67.9 -83.7 -9.6 30 74 A a E < -f 10 0B 19 -4,-1.1 -19,-0.2 -5,-0.3 68,-0.0 -0.611 66.7-129.9-124.0-176.8 -68.9 -80.5 -11.4 31 75 A V E -f 11 0B 64 -21,-1.2 -19,-2.9 -2,-0.2 2,-0.1 -0.920 38.3 -84.8-132.5 156.1 -71.0 -79.1 -14.2 32 76 A P E -f 12 0B 121 0, 0.0 -19,-0.2 0, 0.0 -5,-0.0 -0.425 52.6-117.4 -60.7 133.5 -70.3 -76.7 -17.1 33 77 A T - 0 0 33 -21,-0.9 -23,-0.0 -2,-0.1 -3,-0.0 -0.136 25.5-101.7 -68.3 166.1 -70.7 -73.1 -16.1 34 78 A D - 0 0 79 1,-0.1 -1,-0.1 -23,-0.0 96,-0.1 -0.826 19.7-151.4 -92.6 121.9 -73.3 -70.7 -17.4 35 79 A P S S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.660 94.5 40.3 -66.6 -16.1 -71.8 -68.3 -20.0 36 80 A N S S- 0 0 117 2,-0.0 2,-0.2 -3,-0.0 0, 0.0 -0.604 78.3-172.1-134.3 75.2 -74.5 -65.7 -19.0 37 81 A P - 0 0 75 0, 0.0 2,-1.1 0, 0.0 91,-0.0 -0.467 21.5-133.3 -69.4 133.9 -75.0 -65.7 -15.2 38 82 A Q - 0 0 143 -2,-0.2 2,-0.7 2,-0.0 89,-0.0 -0.728 23.0-174.2 -95.8 92.1 -78.0 -63.6 -14.1 39 83 A E - 0 0 94 -2,-1.1 2,-0.6 89,-0.1 89,-0.2 -0.766 7.4-164.2 -85.3 113.9 -76.9 -61.4 -11.2 40 84 A V E -B 127 0A 80 87,-1.7 87,-2.0 -2,-0.7 2,-0.2 -0.883 12.0-139.5-106.0 114.0 -80.0 -59.6 -9.9 41 85 A K E -B 126 0A 90 -2,-0.6 2,-0.5 85,-0.3 85,-0.3 -0.509 19.9-128.7 -71.0 132.4 -79.3 -56.6 -7.6 42 86 A L > - 0 0 29 83,-3.4 3,-0.6 -2,-0.2 83,-0.5 -0.717 19.9-134.6 -87.6 128.0 -81.8 -56.5 -4.7 43 87 A E T 3 S- 0 0 149 -2,-0.5 3,-0.1 1,-0.2 81,-0.1 -0.661 75.8 -9.4 -88.7 131.8 -83.5 -53.1 -4.2 44 88 A N T 3 S+ 0 0 172 -2,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.742 99.3 133.4 60.8 28.1 -83.9 -51.5 -0.8 45 89 A V < - 0 0 36 -3,-0.6 2,-0.4 78,-0.2 80,-0.4 -0.919 35.7-172.7-116.7 134.2 -82.6 -54.6 1.0 46 90 A T - 0 0 84 -2,-0.4 2,-0.3 -3,-0.1 77,-0.2 -0.992 13.1-176.3-125.1 127.9 -80.1 -55.0 3.8 47 91 A E E -J 122 0D 41 75,-1.0 75,-0.8 -2,-0.4 2,-0.4 -0.816 26.0-113.8-123.9 157.6 -78.9 -58.4 5.0 48 92 A N E -J 121 0D 112 -2,-0.3 2,-0.4 73,-0.2 71,-0.0 -0.785 31.0-168.8 -91.0 132.2 -76.6 -59.9 7.6 49 93 A F E -J 120 0D 7 71,-2.5 71,-1.3 -2,-0.4 2,-0.3 -0.935 12.2-178.6-120.3 145.1 -73.4 -61.6 6.5 50 94 A N E > +J 119 0D 68 -2,-0.4 3,-0.9 283,-0.2 69,-0.2 -0.803 8.2 177.3-143.8 100.8 -71.0 -63.8 8.5 51 95 A M G > S+ 0 0 1 67,-0.8 3,-0.9 -2,-0.3 6,-0.1 0.738 82.9 62.4 -70.8 -23.8 -67.9 -65.2 6.8 52 96 A W G 3 S+ 0 0 19 1,-0.2 -1,-0.2 66,-0.1 67,-0.1 0.555 112.5 34.7 -83.5 -8.2 -66.7 -66.7 10.0 53 97 A K G < S+ 0 0 143 -3,-0.9 2,-0.4 4,-0.0 -1,-0.2 -0.125 85.1 138.3-134.5 37.2 -69.7 -69.0 10.2 54 98 A N < - 0 0 5 -3,-0.9 4,-0.5 1,-0.1 3,-0.4 -0.705 43.2-154.4 -88.8 134.2 -70.4 -69.7 6.6 55 99 A N S >> S+ 0 0 46 -2,-0.4 4,-2.1 1,-0.2 3,-0.8 0.784 89.8 68.1 -76.4 -28.6 -71.3 -73.3 5.6 56 100 A M H 3> S+ 0 0 1 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.784 93.0 60.2 -63.6 -27.8 -70.1 -72.9 2.0 57 101 A V H 3> S+ 0 0 0 -3,-0.4 4,-1.8 2,-0.2 -1,-0.3 0.853 107.6 47.1 -65.0 -34.2 -66.5 -72.7 3.4 58 102 A E H <> S+ 0 0 60 -3,-0.8 4,-2.6 -4,-0.5 5,-0.3 0.960 111.7 46.1 -71.9 -54.1 -67.1 -76.2 4.9 59 103 A Q H X S+ 0 0 41 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.808 115.2 48.7 -63.0 -31.2 -68.6 -77.9 1.8 60 104 A M H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.929 109.8 52.7 -68.8 -46.3 -65.8 -76.4 -0.3 61 105 A H H X S+ 0 0 6 -4,-1.8 4,-2.2 1,-0.3 -2,-0.2 0.895 110.1 46.4 -56.9 -45.3 -63.2 -77.6 2.2 62 106 A E H X S+ 0 0 103 -4,-2.6 4,-2.5 1,-0.2 -1,-0.3 0.802 111.1 54.1 -68.2 -29.6 -64.5 -81.2 2.1 63 107 A D H X S+ 0 0 46 -4,-1.1 4,-1.7 -5,-0.3 -2,-0.2 0.865 109.0 47.2 -71.1 -37.5 -64.6 -81.0 -1.7 64 108 A I H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.886 113.3 49.0 -70.3 -39.5 -61.0 -80.0 -1.8 65 109 A I H X S+ 0 0 22 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.944 112.8 46.5 -61.9 -49.2 -60.1 -82.7 0.6 66 110 A S H < S+ 0 0 40 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.828 111.5 54.4 -62.7 -32.2 -62.0 -85.3 -1.4 67 111 A L H >X S+ 0 0 1 -4,-1.7 4,-1.7 1,-0.2 3,-1.6 0.961 109.3 45.4 -63.1 -53.2 -60.3 -83.8 -4.5 68 112 A W H 3X S+ 0 0 10 -4,-2.7 4,-0.8 1,-0.3 -2,-0.2 0.771 105.0 62.2 -63.3 -28.6 -56.8 -84.3 -3.0 69 113 A D H 3< S+ 0 0 62 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.577 115.8 32.5 -75.6 -8.8 -57.7 -87.9 -1.9 70 114 A Q H <4 S+ 0 0 102 -3,-1.6 -2,-0.2 -4,-0.3 -1,-0.2 0.548 127.9 39.7-114.7 -20.7 -58.2 -88.8 -5.5 71 115 A S H < S+ 0 0 11 -4,-1.7 2,-1.2 1,-0.2 -3,-0.2 0.921 112.9 41.8 -96.1 -68.1 -55.6 -86.5 -7.0 72 116 A L S < S- 0 0 14 -4,-0.8 -1,-0.2 -5,-0.1 18,-0.1 -0.706 70.3-170.6 -90.0 93.1 -52.5 -86.4 -4.9 73 117 A K - 0 0 78 -2,-1.2 2,-0.2 16,-0.4 -4,-0.1 -0.749 12.5-147.8 -85.9 112.4 -51.9 -90.0 -3.8 74 118 A P - 0 0 10 0, 0.0 12,-0.3 0, 0.0 210,-0.3 -0.507 14.0-133.3 -80.8 149.5 -49.1 -90.1 -1.2 75 119 A b S S+ 0 0 0 208,-3.0 11,-1.4 1,-0.3 2,-0.4 0.875 96.1 17.8 -66.8 -40.1 -46.7 -93.1 -0.9 76 120 A V E -KL 85 283E 2 207,-1.2 207,-2.6 9,-0.2 2,-0.5 -0.981 67.1-172.2-136.8 123.0 -47.2 -93.2 2.8 77 121 A K E -KL 84 282E 29 7,-3.5 7,-3.2 -2,-0.4 2,-0.6 -0.971 7.4-169.4-115.9 125.0 -50.0 -91.6 4.8 78 122 A L E +KL 83 281E 72 203,-3.4 203,-2.1 -2,-0.5 2,-0.2 -0.898 13.0 163.3-122.2 104.2 -49.7 -91.7 8.6 79 123 A T E > -KL 82 280E 20 3,-1.6 3,-1.7 -2,-0.6 2,-0.5 -0.682 62.7 -39.1-108.2 171.0 -52.7 -90.8 10.8 80 124 A G T 3 S- 0 0 87 199,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.071 122.5 -33.7 -35.0 79.0 -53.2 -91.5 14.5 81 198 A G T 3 S+ 0 0 81 -2,-0.5 2,-0.4 1,-0.2 -1,-0.3 0.263 117.3 101.3 92.8 -12.1 -51.8 -95.0 14.8 82 199 A S E < -K 79 0E 57 -3,-1.7 -3,-1.6 2,-0.0 2,-0.5 -0.866 56.8-149.2-111.4 143.3 -52.9 -96.2 11.3 83 200 A V E -K 78 0E 81 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.934 9.1-171.6-116.6 126.5 -50.6 -96.5 8.3 84 201 A I E +K 77 0E 68 -7,-3.2 -7,-3.5 -2,-0.5 2,-0.4 -0.940 9.6 175.3-119.7 111.4 -51.8 -96.1 4.7 85 202 A T E +K 76 0E 54 -2,-0.5 2,-0.3 -9,-0.2 -9,-0.2 -0.924 13.7 137.4-115.8 141.3 -49.4 -97.0 1.9 86 203 A Q - 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