==== 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 4DVV . COMPND 2 MOLECULE: ENVELOPE GLYCOPROTEIN GP160; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR Y.D.KWON,P.D.KWONG . 678 6 14 8 6 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31397.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 441 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 190 28.0 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 . 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 . 1 0.1 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 . 80 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 13.6 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 2 2 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 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 . 6 1 18 7 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 0 109 0, 0.0 340,-1.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 132.5 8.9 18.7 24.3 2 45 A W E -A 340 0A 74 338,-0.2 2,-0.3 339,-0.0 338,-0.2 -0.851 360.0-150.7-148.2 174.4 11.5 16.0 24.7 3 46 A K E -A 339 0A 127 336,-1.3 336,-3.1 -2,-0.3 0, 0.0 -0.983 40.9 -84.6-151.9 154.0 13.6 13.2 23.2 4 47 A D E +A 338 0A 100 -2,-0.3 2,-0.3 334,-0.2 334,-0.2 -0.323 59.9 160.8 -55.3 137.1 15.3 10.0 24.3 5 48 A A - 0 0 16 332,-1.7 2,-0.4 2,-0.0 332,-0.2 -0.990 36.1-132.1-158.6 155.8 18.6 10.7 26.0 6 49 A D + 0 0 115 -2,-0.3 2,-0.3 50,-0.0 332,-0.0 -0.959 34.1 154.5-114.6 134.9 21.2 9.2 28.3 7 50 A T - 0 0 35 -2,-0.4 2,-0.5 331,-0.0 -2,-0.0 -0.959 51.1 -81.8-149.0 164.7 22.7 11.2 31.2 8 51 A T - 0 0 113 -2,-0.3 2,-0.1 1,-0.0 49,-0.0 -0.593 48.3-153.9 -74.8 121.9 24.3 10.5 34.5 9 52 A L - 0 0 17 -2,-0.5 2,-0.3 94,-0.1 94,-0.2 -0.376 1.1-142.8 -85.1 167.1 21.6 9.8 37.1 10 53 A F E -E 102 0B 75 92,-2.1 92,-3.0 -2,-0.1 2,-0.3 -0.844 16.3-125.6-121.9 168.0 21.9 10.3 40.9 11 54 A a E -E 101 0B 7 19,-0.5 21,-2.3 -2,-0.3 2,-0.3 -0.826 15.2-164.8-117.4 155.4 20.4 8.2 43.7 12 55 A A E +Ef 100 32B 4 88,-1.8 88,-3.1 -2,-0.3 2,-0.3 -0.981 17.3 156.7-134.1 147.7 18.1 8.8 46.7 13 56 A S E - f 0 33B 8 19,-2.2 21,-0.7 -2,-0.3 86,-0.1 -0.955 49.0-118.0-157.5 172.9 17.4 6.6 49.7 14 57 A D + 0 0 114 84,-0.4 85,-0.1 -2,-0.3 10,-0.1 -0.093 56.4 158.2-106.9 31.2 16.2 6.6 53.3 15 58 A A - 0 0 26 83,-0.1 2,-0.5 8,-0.1 -2,-0.1 -0.136 40.5-122.7 -55.3 150.8 19.6 5.1 54.5 16 59 A K > - 0 0 112 1,-0.1 3,-1.2 2,-0.0 12,-0.2 -0.869 6.4-147.4-103.3 130.4 20.5 5.6 58.2 17 60 A A T 3 S+ 0 0 89 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.765 97.8 50.8 -65.9 -28.2 23.7 7.4 59.0 18 61 A H T 3 S+ 0 0 157 2,-0.0 -1,-0.3 6,-0.0 2,-0.2 0.462 86.4 110.3 -91.0 -2.8 24.4 5.4 62.2 19 62 A E < - 0 0 72 -3,-1.2 -4,-0.0 1,-0.1 0, 0.0 -0.514 52.3-161.3 -78.4 139.5 23.9 2.0 60.5 20 63 A T + 0 0 112 -2,-0.2 73,-0.4 4,-0.1 -1,-0.1 0.574 58.6 117.1 -89.5 -14.4 26.8 -0.4 60.0 21 64 A E S > S- 0 0 6 1,-0.1 4,-2.2 71,-0.1 73,-0.2 -0.353 71.3-130.6 -57.0 132.6 24.8 -2.3 57.4 22 65 A V H > S+ 0 0 15 71,-2.4 4,-2.6 1,-0.2 5,-0.2 0.779 102.1 52.2 -68.8 -33.6 26.7 -1.9 54.1 23 66 A H H > S+ 0 0 1 70,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.914 113.0 47.7 -65.1 -42.3 23.9 -0.8 51.8 24 67 A N H > S+ 0 0 12 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.898 112.6 48.8 -60.9 -44.6 23.1 2.0 54.4 25 68 A V H X S+ 0 0 56 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.916 113.5 46.8 -62.4 -45.4 26.7 3.0 54.6 26 69 A W H >X S+ 0 0 15 -4,-2.6 4,-1.5 1,-0.2 3,-0.6 0.944 114.4 45.2 -62.8 -50.6 27.0 3.1 50.8 27 70 A A H 3X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.822 105.7 61.9 -65.1 -33.5 23.8 5.1 50.2 28 71 A T H 3< S+ 0 0 51 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.860 116.8 30.9 -58.1 -35.7 24.7 7.5 53.1 29 72 A H H << S+ 0 0 155 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.605 129.7 36.6-100.0 -14.6 27.8 8.5 51.1 30 73 A A H < S+ 0 0 50 -4,-1.5 -19,-0.5 -5,-0.1 2,-0.3 0.528 111.2 51.4-117.4 -11.1 26.6 8.1 47.6 31 74 A a < - 0 0 19 -4,-2.5 -19,-0.3 -5,-0.2 3,-0.1 -0.805 66.0-130.6-127.4 167.2 22.9 9.1 47.7 32 75 A V E -f 12 0B 72 -21,-2.3 -19,-2.2 -2,-0.3 -2,-0.0 -0.633 44.2 -79.2-107.0 168.0 20.7 12.0 48.8 33 76 A P E -f 13 0B 113 0, 0.0 -19,-0.2 0, 0.0 -1,-0.1 -0.305 52.1-103.6 -64.2 156.6 17.5 11.9 50.9 34 77 A T - 0 0 37 -21,-0.7 3,-0.1 -22,-0.1 -21,-0.0 -0.386 30.8-109.7 -74.3 156.7 14.2 10.9 49.2 35 78 A D - 0 0 85 1,-0.1 -1,-0.1 -2,-0.1 96,-0.0 -0.826 22.6-157.6 -87.2 118.5 11.6 13.5 48.4 36 79 A P S S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.791 90.6 35.5 -67.7 -30.0 8.6 12.9 50.7 37 80 A N S S- 0 0 135 -3,-0.1 2,-0.0 2,-0.0 0, 0.0 -0.576 83.6-178.4-122.9 68.9 6.2 14.6 48.3 38 81 A P - 0 0 93 0, 0.0 2,-0.3 0, 0.0 -4,-0.0 -0.349 23.4-123.9 -71.1 147.5 7.4 13.7 44.8 39 82 A Q - 0 0 162 -2,-0.0 91,-0.5 2,-0.0 2,-0.4 -0.717 23.8-173.3 -93.4 139.4 5.5 15.1 41.8 40 83 A E E -B 129 0A 83 -2,-0.3 2,-0.7 89,-0.1 89,-0.2 -0.969 6.4-162.1-133.8 120.7 4.1 12.9 39.1 41 84 A I E -B 128 0A 96 87,-2.1 87,-2.2 -2,-0.4 2,-0.5 -0.879 10.4-148.6-106.5 107.7 2.6 14.3 35.9 42 85 A H E -B 127 0A 123 -2,-0.7 2,-0.3 85,-0.3 85,-0.3 -0.635 19.6-135.1 -75.1 120.2 0.3 12.0 34.0 43 86 A L - 0 0 35 83,-2.9 83,-0.5 -2,-0.5 2,-0.4 -0.592 12.6-135.0 -82.8 134.5 0.6 12.8 30.3 44 87 A E S S- 0 0 182 -2,-0.3 3,-0.1 1,-0.2 81,-0.1 -0.761 78.0 -12.2 -95.4 130.6 -2.6 13.0 28.3 45 88 A N S S+ 0 0 159 -2,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.622 94.1 145.1 58.4 16.2 -2.9 11.4 24.8 46 89 A V - 0 0 35 -3,-0.3 2,-0.5 78,-0.2 80,-0.3 -0.706 33.6-163.7 -85.1 130.9 0.9 10.8 24.8 47 90 A T + 0 0 65 -2,-0.4 2,-0.4 -3,-0.1 77,-0.2 -0.969 13.6 180.0-114.6 117.7 2.2 7.6 23.1 48 91 A E E -H 123 0C 29 75,-1.6 75,-2.7 -2,-0.5 2,-0.4 -0.920 21.7-133.8-120.1 141.0 5.8 6.8 24.0 49 92 A N E -H 122 0C 98 -2,-0.4 2,-0.3 73,-0.2 71,-0.0 -0.758 24.0-172.3 -92.3 139.6 8.0 3.9 22.9 50 93 A F E -H 121 0C 10 71,-2.2 71,-1.9 -2,-0.4 2,-0.2 -0.848 15.9-170.4-123.5 160.9 10.1 2.0 25.5 51 94 A N E > -H 120 0C 66 -2,-0.3 3,-1.5 69,-0.2 69,-0.2 -0.657 3.3-175.0-153.0 95.5 12.7 -0.7 25.3 52 95 A M T 3 S+ 0 0 2 67,-2.3 3,-0.4 1,-0.3 68,-0.1 0.705 85.3 61.2 -61.6 -21.2 13.7 -2.4 28.6 53 96 A W T 3 S+ 0 0 19 1,-0.3 -1,-0.3 66,-0.2 2,-0.2 0.603 109.7 38.7 -88.0 -13.9 16.5 -4.3 26.8 54 97 A K S < S+ 0 0 160 -3,-1.5 2,-0.4 4,-0.0 -1,-0.3 -0.686 82.9 130.4-133.2 80.7 18.3 -1.2 25.7 55 98 A N >> - 0 0 16 -3,-0.4 3,-1.8 -2,-0.2 4,-0.7 -0.954 47.5-153.6-141.0 112.1 18.1 1.1 28.6 56 99 A N H 3> S+ 0 0 51 -2,-0.4 4,-2.0 1,-0.3 5,-0.1 0.621 90.9 75.0 -66.4 -13.4 21.1 2.9 30.1 57 100 A M H 3> S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.847 94.7 53.0 -63.2 -33.6 19.4 3.1 33.5 58 101 A V H <> S+ 0 0 1 -3,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.911 107.2 49.3 -68.1 -44.8 20.2 -0.6 33.8 59 102 A E H X S+ 0 0 50 -4,-0.7 4,-1.9 1,-0.2 -2,-0.2 0.888 111.7 50.4 -60.7 -39.7 23.9 -0.1 33.1 60 103 A Q H X S+ 0 0 23 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.873 109.4 49.0 -69.3 -39.0 24.1 2.7 35.6 61 104 A M H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.913 109.7 53.0 -65.7 -41.4 22.4 0.7 38.4 62 105 A Q H X S+ 0 0 20 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.904 106.9 53.2 -56.6 -43.2 24.8 -2.2 37.6 63 106 A E H X S+ 0 0 117 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.889 110.1 47.3 -61.3 -41.5 27.7 0.3 38.0 64 107 A D H X S+ 0 0 45 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.928 112.0 48.4 -63.1 -48.9 26.4 1.3 41.5 65 108 A V H X S+ 0 0 4 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.872 111.1 51.0 -64.5 -38.1 25.8 -2.2 42.8 66 109 A I H X S+ 0 0 47 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.919 111.2 48.4 -61.7 -44.5 29.3 -3.2 41.6 67 110 A S H X S+ 0 0 40 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.876 111.5 50.6 -63.5 -38.7 30.8 -0.2 43.4 68 111 A L H X S+ 0 0 5 -4,-2.5 4,-1.6 2,-0.2 5,-0.3 0.940 114.3 42.4 -64.1 -48.9 28.8 -1.1 46.5 69 112 A W H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.845 111.7 55.9 -67.7 -35.1 30.0 -4.8 46.5 70 113 A D H < S+ 0 0 64 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.890 116.3 36.5 -61.5 -40.4 33.5 -3.7 45.7 71 114 A Q H < S+ 0 0 131 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.703 130.3 29.8 -84.9 -22.4 33.6 -1.4 48.8 72 115 A S H < S+ 0 0 19 -4,-1.6 -3,-0.2 -5,-0.1 -2,-0.2 0.724 117.8 45.3-114.6 -31.7 31.6 -3.6 51.1 73 116 A L < + 0 0 8 -4,-2.5 -1,-0.1 -5,-0.3 -2,-0.1 -0.360 65.0 165.3-118.4 53.5 32.1 -7.3 50.2 74 117 A Q - 0 0 47 -3,-0.1 2,-0.1 -2,-0.1 -4,-0.1 -0.538 30.4-135.4 -69.4 129.2 35.8 -7.7 49.7 75 118 A P - 0 0 0 0, 0.0 209,-0.2 0, 0.0 3,-0.2 -0.428 14.9-120.0 -80.4 158.5 36.8 -11.4 49.6 76 119 A b S S+ 0 0 21 207,-2.1 11,-1.9 1,-0.3 2,-0.4 0.923 104.8 23.8 -63.0 -46.0 39.8 -12.9 51.5 77 120 A V E S-IJ 86 283D 29 206,-1.2 206,-2.3 9,-0.2 2,-0.5 -0.989 70.7-169.6-125.1 129.0 41.2 -14.1 48.2 78 121 A K E -IJ 85 282D 40 7,-3.3 7,-3.3 -2,-0.4 2,-0.7 -0.975 2.9-166.7-120.4 118.7 40.3 -12.5 44.8 79 122 A L E +IJ 84 281D 67 202,-3.1 202,-2.4 -2,-0.5 2,-0.4 -0.908 23.4 155.5-109.0 109.9 41.5 -14.4 41.6 80 123 A T E > -I 83 0D 39 3,-1.2 3,-2.2 -2,-0.7 200,-0.1 -0.974 59.0 -19.1-145.7 125.0 41.1 -12.2 38.5 81 124 A G T 3 S- 0 0 84 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.880 126.1 -46.7 50.6 48.9 42.8 -12.1 35.1 82 198 A G T 3 S+ 0 0 86 1,-0.3 -1,-0.3 -3,-0.0 2,-0.1 0.194 119.0 112.8 82.6 -17.1 45.8 -14.2 36.1 83 199 A S E < -I 80 0D 54 -3,-2.2 -3,-1.2 2,-0.0 2,-0.4 -0.389 55.2-149.2 -89.5 164.3 46.2 -12.1 39.3 84 200 A V E -I 79 0D 81 -5,-0.2 2,-0.5 -2,-0.1 -5,-0.2 -0.916 12.6-172.6-135.9 106.8 45.8 -13.0 42.9 85 201 A I E -I 78 0D 77 -7,-3.3 -7,-3.3 -2,-0.4 2,-0.4 -0.862 2.1-171.2-100.8 132.9 44.6 -10.3 45.4 86 202 A K E +I 77 0D 156 -2,-0.5 2,-0.3 -9,-0.2 -9,-0.2 -0.927 18.5 142.5-116.7 148.8 44.6 -11.0 49.2 87 203 A Q - 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