==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/TRANSCRIPTION INHIBITOR 23-FEB-12 4DVX . COMPND 2 MOLECULE: ENVELOPE GLYCOPROTEIN GP160; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR Y.D.KWON,P.D.KWONG . 678 7 14 7 7 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31303.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 466 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 193 28.5 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 . 1 0.1 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-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 . 101 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 13.4 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 1 3 0 0 0 0 0 0 1 2 1 0 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 . 6 0 17 9 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 0 4 2 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 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 0 134 0, 0.0 340,-2.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 149.7 8.8 18.2 24.0 2 45 A W E -A 340 0A 84 338,-0.2 2,-0.3 339,-0.1 338,-0.2 -0.917 360.0-156.1-148.9 172.5 11.3 15.4 24.7 3 46 A K E -A 339 0A 129 336,-1.6 336,-3.5 -2,-0.3 2,-0.0 -0.990 38.3 -86.5-153.5 149.7 13.5 12.7 23.2 4 47 A D E +A 338 0A 103 -2,-0.3 2,-0.3 334,-0.3 334,-0.3 -0.347 60.5 157.9 -57.4 131.6 15.1 9.4 24.3 5 48 A A - 0 0 18 332,-2.0 2,-0.5 -2,-0.0 332,-0.2 -0.988 38.1-128.2-155.5 159.4 18.4 10.1 25.8 6 49 A D + 0 0 115 -2,-0.3 2,-0.3 50,-0.1 332,-0.0 -0.962 33.8 159.6-117.1 124.9 21.1 8.6 28.2 7 50 A T - 0 0 30 -2,-0.5 2,-0.6 97,-0.0 -2,-0.0 -0.947 49.8 -85.6-138.5 160.0 22.4 10.6 31.1 8 51 A T - 0 0 116 -2,-0.3 2,-0.1 1,-0.0 49,-0.0 -0.537 50.4-153.6 -68.5 113.0 24.2 9.9 34.4 9 52 A L - 0 0 19 -2,-0.6 2,-0.3 94,-0.1 94,-0.2 -0.365 1.9-141.5 -83.1 164.5 21.5 9.2 36.9 10 53 A F E -E 102 0B 77 92,-1.6 92,-3.2 -2,-0.1 2,-0.2 -0.947 14.4-129.7-125.9 152.2 21.6 9.7 40.7 11 54 A a E -Ef 101 31B 7 19,-0.5 21,-1.5 -2,-0.3 2,-0.3 -0.587 13.9-163.2-101.9 160.8 20.2 7.4 43.4 12 55 A A E +Ef 100 32B 3 88,-2.1 88,-3.0 19,-0.3 2,-0.3 -0.998 17.3 156.1-142.9 139.7 18.0 8.1 46.5 13 56 A S E - f 0 33B 6 19,-2.0 21,-0.6 -2,-0.3 86,-0.1 -0.899 47.4-120.1-151.0 177.1 17.3 6.0 49.6 14 57 A D + 0 0 119 84,-0.4 85,-0.1 -2,-0.3 10,-0.1 -0.073 53.6 158.5-113.7 30.1 16.3 6.0 53.2 15 58 A A - 0 0 24 17,-0.1 2,-0.4 83,-0.1 -2,-0.1 -0.178 43.3-117.8 -57.1 145.1 19.5 4.5 54.5 16 59 A K > - 0 0 113 1,-0.1 3,-0.8 5,-0.1 12,-0.1 -0.747 10.0-146.5 -88.7 130.3 20.4 5.0 58.1 17 60 A A T 3 S+ 0 0 89 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.592 99.4 49.3 -71.9 -10.1 23.6 6.9 58.7 18 61 A H T 3 S+ 0 0 144 2,-0.0 -1,-0.2 0, 0.0 2,-0.2 0.552 84.9 108.3-105.1 -12.2 24.3 4.8 61.8 19 62 A E < - 0 0 64 -3,-0.8 -4,-0.0 1,-0.1 0, 0.0 -0.443 54.8-157.1 -69.5 136.9 23.7 1.3 60.3 20 63 A T + 0 0 112 -2,-0.2 73,-0.4 4,-0.1 -1,-0.1 0.498 56.9 122.1 -88.5 -6.5 26.7 -0.9 59.8 21 64 A E S > S- 0 0 7 1,-0.1 4,-2.4 71,-0.1 5,-0.2 -0.384 70.5-128.0 -60.7 129.4 24.8 -2.8 57.2 22 65 A V H > S+ 0 0 8 71,-2.1 4,-2.3 1,-0.2 5,-0.2 0.839 105.5 49.7 -51.1 -44.2 26.8 -2.6 53.9 23 66 A H H > S+ 0 0 1 70,-0.3 4,-2.6 1,-0.2 5,-0.3 0.934 112.0 47.3 -63.1 -47.7 23.8 -1.4 51.8 24 67 A N H > S+ 0 0 18 -3,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.882 112.3 51.3 -59.6 -39.9 22.9 1.4 54.3 25 68 A V H X S+ 0 0 60 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.900 111.8 46.5 -64.6 -42.3 26.6 2.4 54.4 26 69 A W H >X S+ 0 0 18 -4,-2.3 4,-1.3 -5,-0.2 3,-1.2 0.954 113.0 46.5 -66.2 -52.1 26.9 2.6 50.6 27 70 A A H 3X S+ 0 0 2 -4,-2.6 4,-2.2 1,-0.3 -1,-0.2 0.779 105.5 63.3 -62.5 -27.0 23.6 4.6 50.0 28 71 A T H 3< S+ 0 0 52 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.794 116.1 28.7 -67.6 -28.6 24.6 6.9 52.8 29 72 A H H << S+ 0 0 154 -3,-1.2 -2,-0.2 -4,-0.8 -1,-0.2 0.472 131.6 36.3-109.4 -6.6 27.7 8.0 50.9 30 73 A A H < S+ 0 0 49 -4,-1.3 -19,-0.5 -5,-0.1 2,-0.2 0.516 112.9 48.7-123.7 -12.9 26.4 7.5 47.3 31 74 A a E < -f 11 0B 18 -4,-2.2 -19,-0.3 -5,-0.3 3,-0.0 -0.715 66.6-131.0-124.9 174.8 22.7 8.5 47.5 32 75 A V E -f 12 0B 71 -21,-1.5 -19,-2.0 -2,-0.2 -17,-0.1 -0.836 41.2 -75.5-123.3 163.5 20.5 11.3 48.8 33 76 A P E -f 13 0B 114 0, 0.0 -19,-0.2 0, 0.0 2,-0.1 -0.187 54.0-110.0 -54.5 147.5 17.3 11.4 50.9 34 77 A T - 0 0 35 -21,-0.6 3,-0.1 -22,-0.1 -21,-0.0 -0.454 30.8-103.4 -80.2 154.8 14.1 10.4 49.1 35 78 A D - 0 0 71 1,-0.2 -1,-0.1 -2,-0.1 96,-0.0 -0.698 23.1-158.1 -81.1 118.5 11.4 12.8 48.2 36 79 A P S S+ 0 0 111 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.828 92.3 35.7 -65.0 -33.7 8.5 12.5 50.7 37 80 A N S S- 0 0 134 -3,-0.1 2,-0.1 2,-0.0 -2,-0.0 -0.617 83.6-174.9-121.6 71.6 6.1 14.1 48.2 38 81 A P - 0 0 94 0, 0.0 2,-0.3 0, 0.0 -4,-0.0 -0.391 19.5-129.8 -68.4 140.2 7.2 12.9 44.7 39 82 A Q - 0 0 97 -2,-0.1 91,-0.6 2,-0.0 2,-0.3 -0.686 22.9-176.1 -93.4 144.8 5.4 14.4 41.7 40 83 A E E -B 129 0A 84 -2,-0.3 2,-0.6 89,-0.1 89,-0.2 -0.890 8.4-161.0-144.4 110.6 4.0 12.3 38.9 41 84 A I E -B 128 0A 106 87,-1.7 87,-3.2 -2,-0.3 2,-0.6 -0.810 13.4-143.2 -95.1 122.8 2.4 13.8 35.8 42 85 A H E -B 127 0A 123 -2,-0.6 2,-0.7 85,-0.3 85,-0.3 -0.755 12.8-142.2 -87.6 118.9 0.1 11.4 33.8 43 86 A L E > -B 126 0A 31 83,-2.7 83,-0.8 -2,-0.6 3,-0.6 -0.709 15.0-152.7 -85.3 115.7 0.4 12.0 30.1 44 87 A E T 3 S+ 0 0 176 -2,-0.7 3,-0.1 1,-0.2 81,-0.1 -0.638 73.9 4.5 -88.8 145.4 -2.9 11.7 28.3 45 88 A N T 3 S+ 0 0 173 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.841 97.6 134.9 52.1 37.4 -3.2 10.6 24.6 46 89 A V < - 0 0 34 -3,-0.6 2,-0.5 78,-0.5 80,-0.3 -0.967 40.4-161.0-122.7 120.7 0.6 10.1 24.6 47 90 A T - 0 0 74 -2,-0.5 2,-0.4 -3,-0.1 77,-0.2 -0.867 11.7-179.3-102.6 128.4 2.2 7.0 23.1 48 91 A E E -H 123 0C 26 75,-1.3 75,-2.2 -2,-0.5 2,-0.5 -0.984 21.3-135.6-128.6 137.3 5.7 6.0 24.0 49 92 A N E -H 122 0C 105 -2,-0.4 2,-0.3 73,-0.2 71,-0.0 -0.792 24.0-168.7 -92.7 127.9 7.9 3.1 22.9 50 93 A F E -H 121 0C 9 71,-2.6 71,-1.7 -2,-0.5 2,-0.1 -0.779 15.4-173.9-112.8 158.7 9.8 1.2 25.5 51 94 A N E > -H 120 0C 64 -2,-0.3 3,-2.4 284,-0.2 69,-0.2 -0.578 4.3-177.6-153.1 84.4 12.6 -1.4 25.3 52 95 A M G > S+ 0 0 2 67,-2.3 3,-0.6 1,-0.3 6,-0.1 0.736 84.7 61.6 -54.0 -25.8 13.6 -3.0 28.6 53 96 A W G 3 S+ 0 0 21 1,-0.3 -1,-0.3 66,-0.2 67,-0.1 0.562 109.7 39.5 -84.0 -8.6 16.3 -5.0 26.7 54 97 A K G < S+ 0 0 157 -3,-2.4 2,-0.5 4,-0.0 -1,-0.3 -0.464 83.0 133.9-134.3 62.4 18.1 -1.9 25.6 55 98 A N X> - 0 0 13 -3,-0.6 3,-1.6 1,-0.1 4,-0.8 -0.942 44.8-157.2-122.0 112.9 17.9 0.4 28.6 56 99 A N H 3> S+ 0 0 51 -2,-0.5 4,-2.0 1,-0.3 5,-0.2 0.744 91.2 72.8 -58.8 -24.6 20.9 2.3 29.9 57 100 A M H 3> S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.885 94.5 53.6 -55.9 -39.6 19.3 2.5 33.3 58 101 A V H <> S+ 0 0 0 -3,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.915 106.3 50.7 -62.4 -45.3 20.0 -1.2 33.7 59 102 A E H X S+ 0 0 53 -4,-0.8 4,-1.5 1,-0.2 -1,-0.2 0.880 110.9 49.9 -60.1 -39.0 23.7 -0.8 32.9 60 103 A Q H X S+ 0 0 23 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.920 109.8 47.6 -69.5 -45.4 23.9 2.0 35.5 61 104 A M H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.879 109.7 55.8 -62.0 -37.0 22.3 0.1 38.3 62 105 A Q H X S+ 0 0 17 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.879 105.5 52.4 -58.7 -39.0 24.6 -2.8 37.4 63 106 A E H X S+ 0 0 122 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.863 109.4 48.5 -67.9 -37.6 27.5 -0.4 38.0 64 107 A D H X S+ 0 0 42 -4,-1.8 4,-3.4 2,-0.2 5,-0.2 0.961 110.8 48.6 -65.6 -53.3 26.3 0.6 41.4 65 108 A V H X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.870 111.3 51.3 -57.5 -39.4 25.7 -2.9 42.7 66 109 A I H X S+ 0 0 47 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.930 112.7 45.6 -61.6 -46.1 29.2 -3.9 41.4 67 110 A S H X S+ 0 0 40 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.921 111.6 52.2 -62.1 -45.5 30.7 -0.9 43.3 68 111 A L H X S+ 0 0 6 -4,-3.4 4,-1.3 1,-0.2 5,-0.3 0.886 112.4 45.5 -58.4 -41.5 28.6 -1.7 46.4 69 112 A W H X S+ 0 0 5 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.816 109.0 55.2 -73.6 -32.0 29.9 -5.3 46.3 70 113 A D H < S+ 0 0 79 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.781 116.0 38.7 -70.1 -26.7 33.5 -4.3 45.7 71 114 A Q H < S+ 0 0 130 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.668 130.0 28.1 -96.3 -20.8 33.4 -2.1 48.8 72 115 A S H < S+ 0 0 21 -4,-1.3 2,-0.6 -5,-0.2 -3,-0.2 0.791 120.9 43.3-110.0 -42.6 31.4 -4.4 51.0 73 116 A L < + 0 0 12 -4,-1.9 -1,-0.1 -5,-0.3 -2,-0.1 -0.552 65.3 160.9-112.6 67.3 32.0 -8.0 49.9 74 117 A Q - 0 0 76 -2,-0.6 -4,-0.1 -3,-0.2 4,-0.0 -0.784 32.4-137.0 -87.5 121.7 35.7 -8.3 49.4 75 118 A P - 0 0 10 0, 0.0 209,-0.2 0, 0.0 12,-0.2 -0.232 14.9-119.2 -74.5 164.2 36.8 -12.0 49.4 76 119 A b S S+ 0 0 21 207,-2.0 11,-2.7 1,-0.3 2,-0.4 0.898 104.0 23.9 -68.3 -42.2 39.9 -13.3 51.2 77 120 A V E S-IJ 86 283D 31 206,-1.2 206,-2.4 9,-0.2 2,-0.5 -0.979 71.2-166.8-130.8 120.6 41.2 -14.6 47.8 78 121 A K E -IJ 85 282D 55 7,-3.4 7,-2.8 -2,-0.4 2,-0.7 -0.927 2.3-165.0-110.5 122.3 40.3 -13.2 44.5 79 122 A L E +IJ 84 281D 68 202,-3.4 202,-2.3 -2,-0.5 2,-0.3 -0.868 30.6 140.4-109.0 100.8 41.2 -15.2 41.3 80 123 A T E > -IJ 83 280D 42 3,-1.8 3,-2.2 -2,-0.7 200,-0.2 -0.998 63.6 -1.6-145.6 137.3 40.9 -13.0 38.2 81 124 A G T 3 S- 0 0 84 198,-0.6 3,-0.1 -2,-0.3 -1,-0.1 0.802 124.2 -62.2 57.2 32.3 42.8 -12.5 35.0 82 198 A G T 3 S+ 0 0 87 1,-0.3 -1,-0.3 -3,-0.0 2,-0.2 0.377 113.6 121.3 76.0 -5.9 45.4 -15.1 36.1 83 199 A S E < -I 80 0D 59 -3,-2.2 -3,-1.8 2,-0.0 2,-0.6 -0.632 55.7-144.4 -91.2 148.9 46.1 -12.7 39.0 84 200 A V E -I 79 0D 82 -2,-0.2 2,-0.6 -5,-0.2 -5,-0.2 -0.939 14.7-171.9-117.9 111.9 45.8 -13.7 42.7 85 201 A I E -I 78 0D 63 -7,-2.8 -7,-3.4 -2,-0.6 2,-0.5 -0.903 2.1-167.6-107.7 120.8 44.6 -11.1 45.1 86 202 A K E +I 77 0D 164 -2,-0.6 2,-0.2 -9,-0.2 -9,-0.2 -0.918 21.7 144.8-110.0 128.2 44.7 -11.8 48.9 87 203 A Q - 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