==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/INHIBITOR 03-APR-13 4JZZ . COMPND 2 MOLECULE: HIV-1 YU2 GP120 GLYCOPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR P.ACHARYA,P.D.KWONG . 362 5 9 6 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17135.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 105 29.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 3 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 . 32 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 1 2 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 1 7 6 2 0 1 0 0 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 1 2 1 0 0 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 A V 0 0 157 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.4 -50.5 12.1 -12.8 2 45 A W - 0 0 90 334,-0.1 2,-0.3 1,-0.0 336,-0.1 -0.563 360.0-141.1 -74.0 131.4 -49.4 15.4 -11.2 3 46 A K E -A 337 0A 138 334,-0.6 334,-2.8 -2,-0.3 -1,-0.0 -0.690 22.8 -98.2 -97.4 147.2 -46.9 17.2 -13.4 4 47 A E E +A 336 0A 90 -2,-0.3 2,-0.3 332,-0.3 332,-0.3 -0.317 54.2 171.9 -58.8 142.0 -43.8 19.1 -12.3 5 48 A A - 0 0 28 330,-2.0 2,-0.4 -3,-0.0 330,-0.2 -0.986 31.6-118.1-153.8 158.8 -44.6 22.8 -12.1 6 49 A T + 0 0 98 -2,-0.3 2,-0.3 50,-0.0 330,-0.0 -0.853 41.1 144.8-102.2 133.9 -43.2 26.1 -11.0 7 50 A T - 0 0 35 -2,-0.4 2,-0.9 330,-0.0 -2,-0.0 -0.939 56.7 -88.4-149.6 170.5 -44.8 28.3 -8.3 8 51 A T - 0 0 111 -2,-0.3 2,-0.1 52,-0.0 49,-0.0 -0.781 43.3-154.2 -84.2 111.7 -43.6 30.5 -5.6 9 52 A L - 0 0 6 -2,-0.9 2,-0.3 94,-0.1 94,-0.2 -0.481 11.9-131.3 -73.3 154.4 -43.1 28.3 -2.6 10 53 A F E -E 102 0B 88 92,-2.0 92,-3.3 -2,-0.1 2,-0.3 -0.758 18.2-126.2-104.2 159.2 -43.4 30.1 0.8 11 54 A a E -Ef 101 31B 7 19,-0.5 21,-2.4 -2,-0.3 2,-0.3 -0.771 18.2-166.6-107.9 154.6 -40.9 29.7 3.5 12 55 A A E +Ef 100 32B 0 88,-2.1 88,-3.0 -2,-0.3 2,-0.3 -0.973 16.6 154.0-136.7 146.6 -41.3 28.8 7.2 13 56 A S E - f 0 33B 6 19,-2.2 21,-1.2 -2,-0.3 86,-0.1 -0.971 52.6-109.3-161.9 172.2 -38.9 29.0 10.1 14 57 A D + 0 0 103 84,-0.5 85,-0.1 -2,-0.3 10,-0.1 0.049 61.7 153.0 -97.5 23.0 -38.5 29.3 13.9 15 58 A A - 0 0 23 17,-0.2 2,-0.4 83,-0.2 -2,-0.1 -0.154 36.3-139.8 -52.3 145.6 -37.3 32.9 13.5 16 59 A K > - 0 0 85 1,-0.1 3,-1.4 3,-0.1 12,-0.2 -0.941 8.9-144.7-115.7 135.0 -37.9 35.2 16.4 17 60 A A T 3 S+ 0 0 89 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.617 102.0 56.4 -71.6 -13.9 -39.0 38.8 16.1 18 61 A Y T 3 S+ 0 0 182 2,-0.0 2,-0.6 6,-0.0 -1,-0.3 0.358 87.3 92.1 -98.7 4.6 -36.9 39.7 19.1 19 62 A D < - 0 0 65 -3,-1.4 -3,-0.1 1,-0.1 -4,-0.0 -0.885 57.9-163.0-104.2 122.0 -33.7 38.4 17.6 20 63 A T + 0 0 111 -2,-0.6 73,-0.4 4,-0.1 -1,-0.1 0.493 50.9 122.6 -85.1 -2.0 -31.6 40.9 15.7 21 64 A E S > S- 0 0 11 1,-0.1 4,-2.2 71,-0.1 73,-0.2 -0.348 71.9-121.3 -60.8 141.3 -29.5 38.2 14.0 22 65 A V H > S+ 0 0 13 71,-2.5 4,-2.4 1,-0.2 5,-0.2 0.783 107.4 51.1 -69.9 -32.9 -30.0 38.8 10.3 23 66 A H H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.904 112.9 49.8 -63.7 -41.6 -31.5 35.5 9.2 24 67 A N H > S+ 0 0 11 2,-0.2 4,-1.9 -3,-0.2 -2,-0.2 0.925 110.9 48.6 -59.9 -45.4 -34.0 35.9 11.9 25 68 A V H X S+ 0 0 72 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.928 113.5 46.6 -63.2 -44.4 -34.8 39.4 10.8 26 69 A W H >X S+ 0 0 7 -4,-2.4 4,-2.6 1,-0.2 3,-0.7 0.941 114.2 46.6 -63.1 -47.7 -35.2 38.4 7.2 27 70 A A H 3X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.790 101.2 66.9 -68.5 -27.3 -37.4 35.4 8.0 28 71 A T H 3< S+ 0 0 65 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.864 116.1 27.6 -62.3 -33.6 -39.6 37.4 10.4 29 72 A H H << S+ 0 0 114 -4,-1.1 -2,-0.2 -3,-0.7 -1,-0.2 0.811 129.0 40.7 -94.4 -29.8 -40.8 39.4 7.4 30 73 A A H < S+ 0 0 43 -4,-2.6 -19,-0.5 -5,-0.2 2,-0.2 0.692 111.0 48.8 -93.5 -20.9 -40.4 36.8 4.6 31 74 A a E < -f 11 0B 19 -4,-2.3 -19,-0.3 -5,-0.2 3,-0.1 -0.707 65.3-131.1-124.2 166.1 -41.6 33.5 6.3 32 75 A V E -f 12 0B 67 -21,-2.4 -19,-2.2 -2,-0.2 -17,-0.2 -0.574 50.2 -73.2-102.4 172.7 -44.4 32.0 8.3 33 76 A P E -f 13 0B 103 0, 0.0 -19,-0.2 0, 0.0 -1,-0.1 -0.380 63.2 -84.2 -67.1 150.0 -43.9 29.9 11.5 34 77 A T - 0 0 31 -21,-1.2 -21,-0.0 1,-0.2 -23,-0.0 -0.203 64.2 -81.9 -49.1 138.5 -42.6 26.4 11.1 35 78 A D - 0 0 41 1,-0.2 -1,-0.2 -3,-0.1 96,-0.0 -0.256 39.6-162.7 -50.5 115.8 -45.4 24.0 10.4 36 79 A P S S+ 0 0 105 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.603 87.3 35.9 -76.3 -10.9 -47.1 23.2 13.7 37 80 A N S S- 0 0 112 2,-0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.466 79.4-173.4-141.8 62.8 -48.8 20.1 12.2 38 81 A P - 0 0 92 0, 0.0 2,-0.4 0, 0.0 91,-0.0 -0.287 4.0-168.1 -62.1 143.9 -46.5 18.5 9.6 39 82 A Q - 0 0 113 92,-0.1 91,-0.7 2,-0.0 2,-0.5 -0.979 10.5-171.9-139.3 121.5 -48.0 15.6 7.6 40 83 A E E -B 129 0A 103 -2,-0.4 2,-0.5 89,-0.2 89,-0.2 -0.974 8.8-168.0-112.2 125.8 -46.2 13.2 5.4 41 84 A V E -B 128 0A 79 87,-2.0 87,-2.4 -2,-0.5 2,-0.2 -0.963 16.9-135.0-117.1 121.4 -48.4 10.9 3.3 42 85 A K E -B 127 0A 110 -2,-0.5 2,-0.9 85,-0.2 85,-0.3 -0.553 15.6-135.3 -72.4 136.7 -46.9 7.9 1.5 43 86 A L > - 0 0 34 83,-2.8 3,-1.4 -2,-0.2 83,-0.5 -0.830 24.6-138.3 -95.3 101.4 -48.1 7.6 -2.1 44 87 A E T 3 S- 0 0 143 -2,-0.9 3,-0.1 1,-0.2 81,-0.1 -0.353 77.2 -0.6 -65.9 132.5 -48.9 3.9 -2.5 45 88 A N T 3 S+ 0 0 172 1,-0.2 2,-0.5 79,-0.2 -1,-0.2 0.671 97.6 138.3 67.0 19.1 -47.9 2.1 -5.7 46 89 A V < - 0 0 49 -3,-1.4 80,-0.5 80,-0.2 2,-0.4 -0.845 33.2-173.9-101.1 127.7 -46.4 5.4 -7.1 47 90 A T - 0 0 99 -2,-0.5 2,-0.4 -3,-0.1 77,-0.2 -0.983 13.9-175.1-114.1 133.3 -43.2 5.6 -9.0 48 91 A E E -H 123 0C 28 75,-2.1 75,-2.3 -2,-0.4 2,-0.3 -0.990 22.0-127.9-133.3 135.7 -42.0 9.1 -9.8 49 92 A N E -H 122 0C 105 -2,-0.4 2,-0.3 73,-0.2 71,-0.0 -0.617 26.9-170.6 -78.6 139.0 -39.1 10.5 -11.8 50 93 A F E -H 121 0C 8 71,-2.0 71,-2.0 -2,-0.3 2,-0.2 -0.863 15.2-170.2-121.8 159.3 -36.9 13.1 -10.2 51 94 A N E > -H 120 0C 72 -2,-0.3 3,-1.7 69,-0.2 69,-0.2 -0.670 2.4-175.6-149.8 94.5 -34.1 15.4 -11.6 52 95 A M T 3 S+ 0 0 2 67,-2.7 3,-0.3 1,-0.3 68,-0.1 0.679 83.8 61.1 -63.7 -18.5 -32.2 17.2 -8.9 53 96 A W T 3 S+ 0 0 24 1,-0.3 -1,-0.3 66,-0.2 2,-0.2 0.567 108.6 41.8 -87.8 -11.4 -30.2 19.1 -11.6 54 97 A K S < S+ 0 0 161 -3,-1.7 2,-0.4 4,-0.0 -1,-0.3 -0.703 80.2 133.4-135.4 78.9 -33.3 20.7 -13.1 55 98 A N >> - 0 0 8 -3,-0.3 3,-1.9 -2,-0.2 4,-0.8 -0.941 45.6-154.9-139.3 109.5 -35.3 21.8 -10.1 56 99 A N H 3> S+ 0 0 59 -2,-0.4 4,-2.4 1,-0.3 5,-0.2 0.707 91.8 73.6 -60.5 -20.2 -36.9 25.2 -9.7 57 100 A M H 3> S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.887 95.5 52.4 -57.6 -36.9 -36.9 24.9 -6.0 58 101 A V H <> S+ 0 0 0 -3,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.910 108.5 49.1 -64.5 -44.2 -33.1 25.4 -6.2 59 102 A E H X S+ 0 0 75 -4,-0.8 4,-2.2 1,-0.2 -2,-0.2 0.897 111.4 49.4 -65.9 -39.6 -33.5 28.6 -8.2 60 103 A Q H X S+ 0 0 27 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.924 111.5 48.4 -66.3 -44.7 -36.1 30.0 -5.8 61 104 A M H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 5,-0.3 0.931 109.6 53.9 -59.0 -44.3 -33.9 29.2 -2.8 62 105 A H H X S+ 0 0 6 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.936 109.3 46.9 -56.0 -49.0 -30.9 30.9 -4.5 63 106 A E H X S+ 0 0 107 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.887 111.6 52.6 -63.2 -36.6 -32.9 34.1 -5.1 64 107 A D H X S+ 0 0 34 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.909 110.1 45.9 -64.8 -42.7 -34.1 34.1 -1.5 65 108 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.880 110.2 54.7 -73.1 -33.6 -30.6 33.8 -0.0 66 109 A I H X S+ 0 0 18 -4,-2.4 4,-2.8 -5,-0.3 -2,-0.2 0.953 110.7 46.5 -56.8 -47.4 -29.4 36.5 -2.4 67 110 A S H X S+ 0 0 34 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.900 110.6 52.9 -63.2 -41.7 -32.1 38.7 -1.1 68 111 A L H X S+ 0 0 1 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.948 114.1 41.8 -57.2 -50.1 -31.3 37.8 2.5 69 112 A W H X S+ 0 0 5 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.894 112.2 54.3 -67.1 -40.3 -27.6 38.7 2.0 70 113 A D H < S+ 0 0 60 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.872 115.5 38.8 -64.3 -36.7 -28.3 41.8 0.1 71 114 A Q H < S+ 0 0 93 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.719 126.5 36.3 -79.2 -23.3 -30.6 43.2 2.8 72 115 A S H < S+ 0 0 15 -4,-1.3 2,-0.8 1,-0.2 -2,-0.2 0.842 111.7 45.7-105.7 -46.1 -28.4 42.0 5.7 73 116 A L < - 0 0 10 -4,-2.7 -1,-0.2 -5,-0.2 18,-0.1 -0.835 68.9-172.4-111.9 91.6 -24.7 42.2 4.9 74 117 A K - 0 0 80 -2,-0.8 2,-0.2 16,-0.3 -4,-0.1 -0.734 13.0-144.3 -88.9 121.1 -24.0 45.6 3.3 75 118 A P - 0 0 8 0, 0.0 209,-0.3 0, 0.0 12,-0.2 -0.523 14.6-130.4 -77.5 156.0 -20.5 46.1 2.0 76 119 A b S S+ 0 0 21 207,-2.1 11,-1.6 1,-0.2 2,-0.3 0.821 94.6 17.2 -71.5 -34.8 -18.9 49.6 2.3 77 120 A V E -IJ 86 283D 47 206,-1.4 206,-2.8 9,-0.2 2,-0.4 -0.995 68.5-171.9-139.9 140.7 -18.0 49.6 -1.4 78 121 A K E -IJ 85 282D 48 7,-2.4 7,-2.4 -2,-0.3 2,-0.5 -1.000 5.2-163.3-137.4 134.3 -19.3 47.4 -4.3 79 122 A L E +IJ 84 281D 71 202,-2.9 202,-2.2 -2,-0.4 2,-0.4 -0.980 19.1 159.2-121.7 116.7 -18.0 47.2 -7.8 80 123 A T E > S-I 83 0D 39 3,-2.3 3,-2.4 -2,-0.5 200,-0.1 -0.992 70.7 -12.5-137.0 130.1 -20.2 45.7 -10.5 81 124 A G T 3 S- 0 0 83 -2,-0.4 3,-0.1 198,-0.3 -1,-0.1 0.860 126.7 -53.6 49.3 46.1 -19.8 46.3 -14.2 82 198 A G T 3 S+ 0 0 72 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.416 113.8 118.5 75.4 -2.8 -17.4 49.2 -13.8 83 199 A S E < -I 80 0D 73 -3,-2.4 -3,-2.3 2,-0.0 2,-0.4 -0.844 50.7-152.4-104.0 133.6 -19.9 51.0 -11.5 84 200 A V E -I 79 0D 93 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.897 11.9-177.6-110.4 131.5 -19.1 51.8 -7.9 85 201 A I E -I 78 0D 87 -7,-2.4 -7,-2.4 -2,-0.4 2,-0.3 -0.977 3.9-170.4-122.7 137.1 -21.6 52.1 -5.0 86 202 A T E +I 77 0D 100 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.971 16.2 150.3-127.0 148.2 -20.7 53.1 -1.5 87 203 A Q - 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