==== 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 4JZW . COMPND 2 MOLECULE: HIV-1 YU2 GP120 GLYCOPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR P.ACHARYA,P.D.KWONG . 727 10 18 12 6 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33950.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 480 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 213 29.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 81 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 15.3 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 2 0 0 0 0 5 1 0 0 0 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 . 10 3 9 16 4 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 3 3 0 0 0 0 0 0 2 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 0 149 0, 0.0 649,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 119.7 17.8 -6.4 28.9 2 45 A W - 0 0 81 337,-0.1 2,-0.3 334,-0.1 336,-0.1 -0.339 360.0-141.0 -48.0 125.9 16.8 -8.2 25.7 3 46 A K E -A 337 0A 46 334,-0.5 334,-2.7 1,-0.1 -1,-0.1 -0.689 22.0 -96.8 -97.9 148.8 14.2 -6.0 23.9 4 47 A E E +A 336 0A 91 -2,-0.3 2,-0.3 332,-0.3 332,-0.3 -0.318 53.9 179.4 -59.3 143.0 11.2 -7.3 22.0 5 48 A A - 0 0 26 330,-2.2 2,-0.5 -3,-0.0 330,-0.1 -0.997 31.4-126.1-152.5 149.9 11.9 -7.6 18.3 6 49 A T + 0 0 97 -2,-0.3 2,-0.2 50,-0.0 330,-0.0 -0.865 43.8 151.2 -96.8 125.8 10.4 -8.6 15.1 7 50 A T - 0 0 24 -2,-0.5 2,-1.2 330,-0.0 328,-0.0 -0.774 54.7 -71.6-139.9-170.3 12.4 -11.2 13.1 8 51 A T - 0 0 112 -2,-0.2 2,-0.2 52,-0.0 -2,-0.0 -0.725 50.9-165.3 -89.3 92.4 12.0 -14.0 10.6 9 52 A L - 0 0 14 -2,-1.2 2,-0.3 94,-0.1 94,-0.2 -0.548 4.3-151.6 -77.7 143.5 10.4 -16.8 12.6 10 53 A F E -E 102 0B 85 92,-2.1 92,-3.3 -2,-0.2 2,-0.3 -0.814 8.4-128.7-112.5 160.6 10.5 -20.3 11.1 11 54 A a E -Ef 101 31B 5 19,-0.5 21,-2.5 -2,-0.3 2,-0.3 -0.731 15.5-164.4-108.5 156.5 8.0 -23.1 11.5 12 55 A A E +Ef 100 32B 1 88,-2.2 88,-3.0 -2,-0.3 2,-0.3 -0.981 17.8 154.2-137.0 145.4 8.5 -26.7 12.5 13 56 A S E - f 0 33B 4 19,-2.4 21,-1.2 -2,-0.3 86,-0.1 -0.975 52.8-111.1-160.9 170.5 6.2 -29.6 12.2 14 57 A D + 0 0 106 84,-0.5 85,-0.1 -2,-0.3 10,-0.1 -0.009 61.4 153.4 -97.2 26.2 5.8 -33.4 11.9 15 58 A A - 0 0 22 17,-0.2 2,-0.4 83,-0.1 -2,-0.1 -0.191 35.8-139.6 -54.2 145.2 4.5 -32.9 8.3 16 59 A K > - 0 0 81 1,-0.1 3,-1.3 3,-0.1 12,-0.2 -0.936 9.8-144.6-116.6 135.3 5.1 -35.9 6.0 17 60 A A T 3 S+ 0 0 94 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.650 102.8 54.8 -68.4 -15.8 6.2 -35.6 2.3 18 61 A Y T 3 S+ 0 0 183 2,-0.0 2,-0.6 6,-0.0 -1,-0.3 0.357 87.0 93.4-101.7 3.7 4.0 -38.6 1.5 19 62 A D < - 0 0 58 -3,-1.3 -3,-0.1 1,-0.1 -4,-0.0 -0.883 58.7-162.7 -98.2 117.3 0.9 -37.1 3.0 20 63 A T + 0 0 114 -2,-0.6 73,-0.3 4,-0.1 -1,-0.1 0.534 51.5 121.8 -79.7 -3.7 -1.2 -35.3 0.4 21 64 A E S > S- 0 0 11 1,-0.1 4,-2.4 71,-0.1 73,-0.2 -0.314 72.2-121.2 -61.7 144.0 -3.2 -33.4 3.1 22 65 A V H > S+ 0 0 12 71,-2.6 4,-2.5 1,-0.3 5,-0.2 0.795 108.0 50.5 -72.4 -31.4 -2.8 -29.7 2.5 23 66 A H H > S+ 0 0 0 2,-0.2 4,-2.9 70,-0.2 -1,-0.3 0.908 113.2 49.7 -65.2 -40.6 -1.2 -28.7 5.8 24 67 A N H > S+ 0 0 11 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.912 111.3 48.1 -61.9 -44.8 1.3 -31.5 5.3 25 68 A V H X S+ 0 0 77 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.945 115.0 45.2 -63.3 -45.6 2.0 -30.3 1.8 26 69 A W H >X S+ 0 0 10 -4,-2.5 4,-2.7 1,-0.2 3,-0.8 0.945 114.9 46.8 -62.7 -50.2 2.5 -26.7 2.9 27 70 A A H 3X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.802 101.6 66.1 -62.8 -32.6 4.6 -27.6 5.9 28 71 A T H 3< S+ 0 0 59 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.860 116.5 27.1 -59.4 -33.1 6.8 -29.9 3.9 29 72 A H H << S+ 0 0 172 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.790 129.7 40.3 -93.9 -34.5 8.0 -26.9 1.9 30 73 A A H < S+ 0 0 41 -4,-2.7 -19,-0.5 -5,-0.2 2,-0.3 0.724 111.0 50.4 -91.7 -21.7 7.6 -24.1 4.5 31 74 A a E < -f 11 0B 18 -4,-2.5 -19,-0.3 -5,-0.2 3,-0.1 -0.752 66.2-131.6-122.6 160.2 8.7 -25.8 7.7 32 75 A V E -f 12 0B 65 -21,-2.5 -19,-2.4 -2,-0.3 -17,-0.2 -0.501 49.5 -74.9 -95.0 170.4 11.6 -27.8 9.2 33 76 A P E -f 13 0B 106 0, 0.0 -19,-0.2 0, 0.0 -1,-0.1 -0.393 63.9 -82.9 -63.8 149.7 11.1 -31.0 11.2 34 77 A T - 0 0 30 -21,-1.2 -21,-0.0 1,-0.2 -23,-0.0 -0.194 64.2 -82.7 -48.5 139.6 9.9 -30.6 14.8 35 78 A D - 0 0 36 1,-0.2 -1,-0.2 -3,-0.1 96,-0.0 -0.301 40.5-162.2 -50.2 115.2 12.8 -29.8 17.1 36 79 A P S S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.627 86.0 37.8 -77.4 -10.1 14.4 -33.2 17.9 37 80 A N S S- 0 0 109 2,-0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.446 79.5-172.3-139.6 64.0 16.1 -31.7 20.9 38 81 A P - 0 0 93 0, 0.0 2,-0.4 0, 0.0 91,-0.0 -0.195 1.8-166.7 -63.0 150.0 13.9 -29.2 22.7 39 82 A Q - 0 0 109 92,-0.1 2,-0.5 2,-0.0 91,-0.5 -0.953 8.6-171.8-143.0 112.3 15.4 -27.1 25.5 40 83 A E E -B 129 0A 105 -2,-0.4 2,-0.5 89,-0.2 89,-0.2 -0.947 10.7-165.9-105.1 127.7 13.5 -25.0 28.0 41 84 A V E -B 128 0A 73 87,-2.2 87,-2.4 -2,-0.5 2,-0.3 -0.962 15.4-136.9-119.0 119.1 15.7 -22.9 30.2 42 85 A K E -B 127 0A 88 -2,-0.5 2,-1.0 85,-0.2 85,-0.3 -0.558 13.1-142.8 -68.7 128.9 14.3 -21.2 33.3 43 86 A L E > -B 126 0A 32 83,-2.8 3,-1.3 -2,-0.3 83,-0.5 -0.828 23.7-143.1 -95.1 96.3 15.4 -17.7 33.6 44 87 A E T 3 S+ 0 0 140 -2,-1.0 3,-0.1 1,-0.2 81,-0.1 -0.328 74.1 2.8 -66.3 137.2 15.9 -17.4 37.3 45 88 A N T 3 S+ 0 0 169 1,-0.2 2,-0.5 79,-0.2 -1,-0.2 0.691 96.5 135.2 62.6 21.7 15.1 -14.1 39.0 46 89 A V < - 0 0 27 -3,-1.3 80,-0.5 78,-0.2 2,-0.4 -0.869 35.2-171.1-100.8 133.9 13.8 -12.6 35.8 47 90 A T - 0 0 96 -2,-0.5 2,-0.4 -3,-0.1 77,-0.2 -0.995 12.9-176.2-118.6 130.3 10.6 -10.6 35.6 48 91 A E E -H 123 0C 21 75,-2.3 75,-1.9 -2,-0.4 2,-0.3 -0.991 23.3-127.4-133.6 131.3 9.4 -9.8 32.0 49 92 A N E -H 122 0C 103 -2,-0.4 2,-0.3 73,-0.2 71,-0.0 -0.580 27.7-169.4 -74.6 135.6 6.5 -7.7 30.7 50 93 A F E -H 121 0C 8 71,-2.4 71,-2.1 -2,-0.3 2,-0.2 -0.835 14.6-171.1-117.6 159.5 4.3 -9.5 28.2 51 94 A N E > -H 120 0C 66 -2,-0.3 3,-1.7 69,-0.2 69,-0.2 -0.654 3.3-175.5-151.5 93.2 1.5 -8.0 26.0 52 95 A M T 3 S+ 0 0 2 67,-2.8 3,-0.4 1,-0.3 68,-0.1 0.686 83.4 62.3 -63.5 -18.9 -0.4 -10.7 24.2 53 96 A W T 3 S+ 0 0 26 1,-0.3 -1,-0.3 66,-0.2 2,-0.2 0.554 108.8 40.2 -86.5 -9.9 -2.4 -8.0 22.3 54 97 A K S < S+ 0 0 130 -3,-1.7 2,-0.4 4,-0.0 -1,-0.3 -0.653 79.8 133.7-138.2 76.4 0.7 -6.6 20.6 55 98 A N >> - 0 0 4 -3,-0.4 3,-2.0 -2,-0.2 4,-0.7 -0.950 44.4-155.6-136.9 107.8 2.7 -9.6 19.6 56 99 A N H 3> S+ 0 0 48 -2,-0.4 4,-2.4 1,-0.3 5,-0.2 0.711 90.6 74.8 -59.6 -21.5 4.2 -9.8 16.1 57 100 A M H 3> S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.878 94.8 53.1 -55.4 -36.3 4.3 -13.6 16.4 58 101 A V H <> S+ 0 0 0 -3,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.892 107.8 48.4 -65.8 -42.4 0.5 -13.4 15.9 59 102 A E H X S+ 0 0 72 -4,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.889 111.7 50.6 -66.5 -39.5 0.9 -11.4 12.7 60 103 A Q H X S+ 0 0 35 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.934 110.9 47.2 -65.1 -46.2 3.5 -13.8 11.4 61 104 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.917 109.8 54.6 -61.0 -42.6 1.4 -16.8 12.0 62 105 A H H X S+ 0 0 8 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.948 108.1 48.6 -56.1 -50.8 -1.6 -15.1 10.4 63 106 A E H X S+ 0 0 127 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.884 111.8 51.0 -56.3 -40.9 0.4 -14.4 7.2 64 107 A D H X S+ 0 0 42 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.917 110.6 45.8 -65.7 -43.8 1.5 -18.1 7.2 65 108 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.874 110.2 55.2 -70.9 -34.1 -1.9 -19.6 7.5 66 109 A I H X S+ 0 0 20 -4,-2.5 4,-3.1 -5,-0.3 -1,-0.2 0.943 110.8 46.1 -57.9 -43.4 -3.2 -17.1 4.9 67 110 A S H X S+ 0 0 34 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.901 110.2 52.8 -68.1 -40.3 -0.5 -18.5 2.6 68 111 A L H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.938 115.3 41.1 -58.4 -47.7 -1.3 -22.1 3.5 69 112 A W H X S+ 0 0 2 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.925 113.1 53.2 -67.2 -45.0 -5.0 -21.5 2.6 70 113 A D H < S+ 0 0 59 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.876 116.8 38.4 -62.0 -38.1 -4.2 -19.5 -0.5 71 114 A Q H < S+ 0 0 111 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.734 126.7 36.2 -78.8 -24.9 -2.0 -22.3 -1.9 72 115 A S H < S+ 0 0 15 -4,-1.4 2,-0.8 -5,-0.2 -2,-0.2 0.874 111.3 47.7-102.0 -49.8 -4.1 -25.1 -0.7 73 116 A L < - 0 0 11 -4,-2.9 -1,-0.2 -5,-0.2 18,-0.1 -0.826 68.9-172.4-105.3 93.5 -7.8 -24.3 -0.9 74 117 A K - 0 0 78 -2,-0.8 2,-0.2 16,-0.3 -4,-0.1 -0.774 12.2-145.9 -91.5 119.8 -8.5 -22.8 -4.3 75 118 A P - 0 0 8 0, 0.0 210,-0.3 0, 0.0 12,-0.2 -0.505 16.7-128.9 -76.2 153.2 -12.0 -21.4 -5.0 76 119 A b S S+ 0 0 20 208,-2.0 11,-1.6 1,-0.2 2,-0.3 0.831 96.0 16.5 -67.9 -32.7 -13.5 -21.7 -8.4 77 120 A V E -IJ 86 284D 45 207,-1.4 207,-2.6 9,-0.2 2,-0.4 -0.997 68.8-170.1-144.6 140.1 -14.3 -18.0 -8.4 78 121 A K E -IJ 85 283D 51 7,-2.5 7,-2.4 -2,-0.3 2,-0.5 -0.999 4.2-163.2-136.8 135.6 -13.0 -15.2 -6.2 79 122 A L E +IJ 84 282D 62 203,-3.2 203,-2.3 -2,-0.4 2,-0.4 -0.976 20.2 155.6-125.3 114.0 -14.2 -11.7 -5.9 80 123 A T E > S-I 83 0D 35 3,-2.0 3,-1.8 -2,-0.5 201,-0.1 -0.980 72.4 -8.1-135.9 128.4 -12.1 -9.0 -4.4 81 124 A G T 3 S- 0 0 85 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.889 125.1 -58.0 56.6 44.4 -12.4 -5.3 -5.1 82 198 A G T 3 S+ 0 0 73 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.399 113.9 115.1 70.0 -3.6 -14.8 -5.8 -8.0 83 199 A S E < -I 80 0D 64 -3,-1.8 -3,-2.0 2,-0.0 2,-0.4 -0.850 52.9-151.6-103.3 135.4 -12.3 -8.0 -9.8 84 200 A V E -I 79 0D 91 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.863 11.3-174.2-111.1 136.2 -13.1 -11.6 -10.5 85 201 A I E -I 78 0D 91 -7,-2.4 -7,-2.5 -2,-0.4 2,-0.3 -0.980 4.4-169.9-121.2 138.4 -10.6 -14.5 -10.8 86 202 A T E +I 77 0D 105 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.964 16.9 149.8-126.3 151.3 -11.6 -18.0 -11.7 87 203 A Q - 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