==== 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 4LSQ . COMPND 2 MOLECULE: ENVELOPE GLYCOPROTEIN GP120 WITH LOOP D AND V5 FR . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR T.ZHOU,S.MOQUIN,P.D.KWONG . 775 7 12 7 5 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35253.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 497 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 260 33.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.6 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 . 5 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 . 88 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 1 0 0 1 1 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 . 5 5 15 6 9 5 2 0 1 1 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 6 2 0 2 0 0 0 1 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 44 G V 0 0 119 0, 0.0 345,-2.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 152.4 25.1 -15.7 32.3 2 45 G W E -A 345 0A 69 343,-0.2 2,-0.3 105,-0.0 343,-0.2 -0.915 360.0-135.5-155.0 171.9 21.9 -13.8 32.9 3 46 G K E -A 344 0A 106 341,-1.6 341,-3.2 -2,-0.3 0, 0.0 -0.994 35.0 -94.0-140.1 148.2 19.4 -11.4 31.3 4 47 G D E +A 343 0A 101 -2,-0.3 2,-0.3 339,-0.2 339,-0.2 -0.318 60.2 154.5 -54.9 136.8 17.7 -8.2 32.4 5 48 G A - 0 0 20 337,-1.5 2,-0.4 2,-0.0 337,-0.2 -0.989 39.1-126.4-161.4 160.8 14.3 -9.1 33.9 6 49 G D + 0 0 111 -2,-0.3 2,-0.3 50,-0.1 337,-0.0 -0.924 33.6 157.7-112.2 142.2 11.6 -8.0 36.3 7 50 G T - 0 0 34 -2,-0.4 2,-0.6 336,-0.0 335,-0.0 -0.943 49.3 -79.8-149.6 174.0 10.2 -10.1 39.1 8 51 G T - 0 0 111 -2,-0.3 2,-0.1 52,-0.0 49,-0.1 -0.686 48.0-158.8 -79.6 115.4 8.4 -9.7 42.4 9 52 G L - 0 0 14 -2,-0.6 2,-0.3 94,-0.1 94,-0.2 -0.393 2.8-144.5 -83.8 167.6 10.9 -8.8 45.1 10 53 G F E -E 102 0B 93 92,-2.3 92,-2.6 -2,-0.1 2,-0.3 -0.948 13.6-127.5-127.5 157.6 10.3 -9.3 48.8 11 54 G a E -E 101 0B 3 19,-0.5 21,-2.1 -2,-0.3 2,-0.3 -0.753 17.9-168.1-106.8 153.3 11.5 -7.1 51.7 12 55 G A E +Ef 100 32B 3 88,-2.1 88,-2.8 -2,-0.3 2,-0.3 -0.959 14.4 160.8-133.1 150.8 13.5 -8.0 54.8 13 56 G S E - f 0 33B 6 19,-2.3 21,-1.0 -2,-0.3 86,-0.1 -0.969 49.2-112.6-159.8 175.2 14.2 -5.9 57.9 14 57 G D + 0 0 119 84,-0.5 85,-0.1 -2,-0.3 10,-0.1 -0.054 58.3 158.1-105.6 29.6 15.3 -5.9 61.5 15 58 G A - 0 0 26 17,-0.2 2,-0.6 83,-0.1 -2,-0.1 -0.137 42.9-124.7 -51.5 145.3 11.8 -4.8 62.7 16 59 G K > - 0 0 107 1,-0.1 3,-1.0 2,-0.0 12,-0.2 -0.874 10.7-153.6 -97.7 122.0 10.8 -5.5 66.2 17 60 G A T 3 S+ 0 0 82 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.1 0.615 94.3 53.0 -71.7 -12.6 7.6 -7.5 66.4 18 61 G H T 3 S+ 0 0 155 -3,-0.0 -1,-0.2 2,-0.0 7,-0.1 0.586 87.1 102.7 -96.7 -13.2 6.8 -6.0 69.9 19 62 G E < - 0 0 68 -3,-1.0 -4,-0.0 1,-0.1 0, 0.0 -0.333 57.1-156.3 -69.6 150.7 7.2 -2.4 68.9 20 63 G T + 0 0 110 4,-0.1 73,-0.4 5,-0.0 -1,-0.1 0.494 57.9 119.3-100.6 -10.1 4.1 -0.2 68.3 21 64 G E S > S- 0 0 7 1,-0.1 4,-2.0 71,-0.1 73,-0.2 -0.346 72.4-125.8 -55.5 136.6 6.1 2.2 66.1 22 65 G V H > S+ 0 0 14 71,-2.6 4,-2.3 1,-0.2 5,-0.1 0.798 103.8 52.1 -70.5 -32.1 4.3 2.0 62.7 23 66 G H H > S+ 0 0 2 2,-0.2 4,-2.7 70,-0.2 -1,-0.2 0.910 111.5 49.3 -65.4 -41.6 7.3 1.2 60.4 24 67 G N H > S+ 0 0 11 -3,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.900 110.7 50.6 -60.5 -42.0 8.2 -1.8 62.7 25 68 G V H X S+ 0 0 70 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.930 112.3 46.5 -64.8 -43.3 4.5 -2.9 62.7 26 69 G W H >X S+ 0 0 8 -4,-2.3 4,-2.1 1,-0.2 3,-0.7 0.962 114.2 45.8 -63.4 -50.7 4.4 -2.8 58.9 27 70 G A H 3X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.775 103.5 65.4 -66.8 -27.4 7.7 -4.6 58.3 28 71 G T H 3< S+ 0 0 59 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.874 117.7 24.2 -63.9 -38.8 6.8 -7.3 60.9 29 72 G H H << S+ 0 0 117 -4,-1.1 -2,-0.2 -3,-0.7 -1,-0.2 0.674 129.4 45.0 -98.3 -17.5 4.0 -8.6 58.8 30 73 G A H < S+ 0 0 41 -4,-2.1 -19,-0.5 -5,-0.2 2,-0.3 0.610 113.4 38.8-102.7 -16.4 5.2 -7.4 55.4 31 74 G a S < S- 0 0 16 -4,-2.1 -19,-0.3 -5,-0.2 3,-0.1 -0.830 72.3-125.0-128.8 167.0 8.9 -8.4 55.4 32 75 G V E -f 12 0B 73 -21,-2.1 -19,-2.3 -2,-0.3 -17,-0.2 -0.623 45.7 -77.0-103.9 169.2 11.0 -11.3 56.6 33 76 G P E -f 13 0B 108 0, 0.0 -19,-0.2 0, 0.0 -1,-0.1 -0.294 57.8 -93.6 -63.9 152.6 14.0 -11.1 59.0 34 77 G T - 0 0 38 -21,-1.0 3,-0.0 1,-0.1 -21,-0.0 -0.294 43.4 -98.5 -62.0 148.9 17.3 -9.9 57.6 35 78 G D - 0 0 76 1,-0.1 -1,-0.1 -3,-0.1 96,-0.0 -0.611 29.1-147.7 -69.9 121.9 19.8 -12.4 56.3 36 79 G P S S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.860 90.9 29.4 -60.7 -41.0 22.4 -12.9 59.1 37 80 G N S S- 0 0 115 -3,-0.0 -2,-0.0 2,-0.0 2,-0.0 -0.669 81.9-166.0-124.1 76.3 25.3 -13.6 56.8 38 81 G P - 0 0 90 0, 0.0 2,-0.5 0, 0.0 91,-0.0 -0.333 11.3-142.3 -63.4 142.0 24.7 -11.7 53.5 39 82 G Q - 0 0 100 2,-0.0 91,-0.5 -2,-0.0 2,-0.4 -0.930 16.4-174.0-114.5 127.2 26.9 -12.8 50.6 40 83 G E E -B 129 0A 78 -2,-0.5 2,-0.5 89,-0.1 89,-0.2 -0.970 5.1-166.6-116.8 132.8 28.4 -10.5 48.0 41 84 G I E -B 128 0A 100 87,-2.1 87,-2.5 -2,-0.4 2,-0.3 -0.970 13.3-141.9-122.1 122.1 30.3 -11.8 45.0 42 85 G H E -B 127 0A 108 -2,-0.5 2,-0.7 85,-0.2 85,-0.3 -0.652 15.9-139.9 -81.7 135.5 32.5 -9.6 42.8 43 86 G L > - 0 0 36 83,-2.8 3,-1.1 -2,-0.3 83,-0.5 -0.876 17.5-133.6-102.3 113.7 32.3 -10.6 39.1 44 87 G E T 3 S- 0 0 169 -2,-0.7 3,-0.1 1,-0.3 81,-0.1 -0.376 79.6 -4.5 -71.0 140.2 35.7 -10.4 37.3 45 88 G N T 3 S+ 0 0 164 1,-0.2 2,-0.5 79,-0.1 -1,-0.3 0.787 94.9 144.0 50.8 31.2 36.0 -8.7 34.0 46 89 G V < - 0 0 32 -3,-1.1 80,-0.5 78,-0.3 2,-0.4 -0.899 29.2-173.7-102.7 128.0 32.2 -8.2 33.9 47 90 G T + 0 0 91 -2,-0.5 2,-0.3 -3,-0.1 77,-0.2 -0.983 11.7 174.7-119.8 129.8 30.8 -5.0 32.4 48 91 G E E -H 123 0C 29 75,-2.0 75,-3.1 -2,-0.4 2,-0.5 -0.947 28.8-119.6-137.5 153.1 27.1 -4.4 32.6 49 92 G N E -H 122 0C 103 -2,-0.3 2,-0.3 73,-0.2 71,-0.0 -0.843 27.7-172.4 -99.8 126.1 24.6 -1.6 31.8 50 93 G F E -H 121 0C 4 71,-2.4 71,-1.8 -2,-0.5 2,-0.3 -0.832 9.8-173.6-112.3 152.6 22.6 0.0 34.5 51 94 G N E > -H 120 0C 63 -2,-0.3 3,-1.1 69,-0.2 69,-0.2 -0.772 6.8-173.8-148.4 99.3 19.8 2.5 34.2 52 95 G M T 3 S+ 0 0 1 67,-2.5 3,-0.4 -2,-0.3 68,-0.1 0.679 84.4 60.9 -66.8 -18.5 18.4 4.0 37.4 53 96 G W T 3 S+ 0 0 20 1,-0.3 -1,-0.2 66,-0.2 2,-0.2 0.647 109.7 39.6 -89.3 -14.9 15.6 5.8 35.6 54 97 G K S < S+ 0 0 155 -3,-1.1 2,-0.4 4,-0.0 -1,-0.3 -0.634 81.6 129.9-130.4 72.9 14.0 2.6 34.3 55 98 G N > - 0 0 15 -3,-0.4 3,-2.5 -2,-0.2 4,-0.5 -0.929 46.2-155.4-135.4 105.5 14.3 0.2 37.2 56 99 G N T 3> S+ 0 0 54 -2,-0.4 4,-1.4 1,-0.3 5,-0.1 0.600 87.7 77.6 -63.4 -13.1 11.2 -1.7 38.3 57 100 G M H 3> S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.827 91.0 58.2 -58.6 -31.0 12.6 -2.0 41.9 58 101 G V H <> S+ 0 0 0 -3,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.936 102.9 48.7 -68.8 -46.1 11.6 1.6 42.3 59 102 G E H > S+ 0 0 50 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.822 111.6 52.2 -62.3 -32.3 7.9 1.0 41.5 60 103 G Q H X S+ 0 0 23 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.909 109.0 46.9 -75.5 -40.2 7.9 -1.9 43.9 61 104 G M H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.923 110.5 55.6 -63.0 -40.7 9.4 0.1 46.8 62 105 G Q H X S+ 0 0 27 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.935 105.2 50.7 -57.3 -49.4 6.8 2.8 46.0 63 106 G E H X S+ 0 0 126 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.888 111.1 50.9 -54.2 -39.8 3.9 0.3 46.3 64 107 G D H X S+ 0 0 38 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.903 111.1 44.8 -68.0 -43.0 5.3 -0.8 49.7 65 108 G V H X S+ 0 0 4 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.903 111.6 53.4 -71.5 -38.4 5.7 2.7 51.1 66 109 G I H X S+ 0 0 45 -4,-2.5 4,-3.0 -5,-0.2 -1,-0.2 0.935 112.4 44.3 -58.3 -44.9 2.2 3.7 49.9 67 110 G S H X S+ 0 0 40 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.2 0.868 111.4 54.7 -73.9 -30.5 0.7 0.7 51.6 68 111 G L H X S+ 0 0 3 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.937 113.7 40.9 -63.1 -45.1 2.8 1.4 54.7 69 112 G W H X S+ 0 0 8 -4,-2.9 4,-2.2 1,-0.2 3,-0.4 0.920 110.1 58.6 -70.9 -41.0 1.4 5.0 54.9 70 113 G D H < S+ 0 0 76 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.835 116.3 33.7 -56.8 -36.6 -2.2 3.9 54.0 71 114 G Q H < S+ 0 0 110 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.596 122.5 45.4 -97.9 -8.6 -2.4 1.6 57.0 72 115 G S H < S+ 0 0 10 -4,-1.1 2,-0.3 -3,-0.4 -3,-0.2 0.859 91.4 78.0-102.2 -43.5 -0.2 3.6 59.5 73 116 G L < - 0 0 13 -4,-2.2 18,-0.1 -5,-0.2 169,-0.0 -0.523 59.2-162.4 -76.3 133.6 -1.3 7.3 59.3 74 117 G Q - 0 0 78 -2,-0.3 2,-0.1 16,-0.2 -1,-0.1 -0.626 11.0-179.0-121.6 73.1 -4.5 8.1 61.1 75 118 G P - 0 0 2 0, 0.0 215,-0.3 0, 0.0 3,-0.1 -0.417 32.0-131.7 -68.4 144.3 -6.0 11.4 60.0 76 119 G b S S+ 0 0 28 213,-1.7 11,-1.9 1,-0.2 2,-0.3 0.776 92.3 15.9 -61.5 -30.4 -9.2 12.7 61.6 77 120 G V E -IJ 86 289D 23 212,-1.3 212,-2.4 9,-0.2 2,-0.4 -0.991 61.9-163.5-149.3 133.3 -10.7 13.3 58.1 78 121 G K E -IJ 85 288D 50 7,-2.0 7,-2.7 -2,-0.3 2,-0.5 -0.991 9.2-164.1-118.7 132.7 -9.9 12.3 54.6 79 122 G L E +IJ 84 287D 58 208,-3.0 208,-1.9 -2,-0.4 2,-0.5 -0.963 10.6 175.6-119.6 117.9 -11.4 14.3 51.7 80 123 G T E > -I 83 0D 51 3,-2.2 3,-1.8 -2,-0.5 206,-0.1 -0.827 65.1 -58.2-131.4 92.8 -11.2 12.7 48.2 81 124 G G T 3 S- 0 0 102 -2,-0.5 3,-0.1 1,-0.3 205,-0.1 0.436 125.5 -21.0 60.7 -1.1 -12.9 14.4 45.3 82 198 G G T 3 S+ 0 0 71 1,-0.4 2,-0.5 0, 0.0 -1,-0.3 0.095 112.3 98.6 158.2 -32.8 -16.3 14.3 47.1 83 199 G S E < -I 80 0D 58 -3,-1.8 -3,-2.2 2,-0.0 2,-0.6 -0.723 52.2-158.2 -89.2 128.8 -16.2 11.7 49.8 84 200 G V E -I 79 0D 82 -2,-0.5 2,-0.6 -5,-0.2 -5,-0.2 -0.924 7.4-168.7-106.9 118.6 -15.6 12.7 53.4 85 201 G I E -I 78 0D 81 -7,-2.7 -7,-2.0 -2,-0.6 2,-0.3 -0.924 3.0-169.3-114.1 114.7 -14.3 10.0 55.7 86 202 G K E +I 77 0D 166 -2,-0.6 2,-0.3 -9,-0.2 -9,-0.2 -0.805 18.9 143.4-106.4 143.7 -14.2 10.7 59.4 87 203 G Q - 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