==== 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 4DVW . 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) . 31982.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 448 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 191 28.2 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 . 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 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 6.6 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 1 3 0 0 0 0 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 . 6 1 17 8 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 0 116 0, 0.0 340,-1.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 164.9 9.0 18.8 23.9 2 45 A W E -A 340 0A 90 338,-0.2 2,-0.3 339,-0.0 338,-0.2 -0.948 360.0-155.4-154.8 171.7 11.5 16.0 24.6 3 46 A K E -A 339 0A 132 336,-1.2 336,-2.7 -2,-0.3 0, 0.0 -0.989 39.2 -82.3-151.9 153.2 13.7 13.2 23.1 4 47 A D E +A 338 0A 108 -2,-0.3 2,-0.3 334,-0.2 334,-0.2 -0.300 62.0 157.6 -53.3 138.2 15.3 10.0 24.1 5 48 A A - 0 0 19 332,-1.7 2,-0.4 2,-0.0 332,-0.2 -0.984 38.1-130.3-164.9 153.1 18.6 10.7 25.8 6 49 A D + 0 0 113 -2,-0.3 2,-0.3 330,-0.1 332,-0.0 -0.929 33.2 159.8-110.6 134.2 21.2 9.3 28.2 7 50 A T - 0 0 24 -2,-0.4 2,-0.6 331,-0.0 -2,-0.0 -0.953 48.4 -85.1-144.2 165.8 22.6 11.2 31.1 8 51 A T - 0 0 116 -2,-0.3 2,-0.1 1,-0.0 49,-0.0 -0.631 49.4-156.1 -74.7 114.4 24.4 10.7 34.4 9 52 A L - 0 0 24 -2,-0.6 2,-0.3 94,-0.1 94,-0.2 -0.372 2.9-146.4 -83.8 165.6 21.7 9.9 37.0 10 53 A F E -E 102 0B 78 92,-2.2 92,-3.2 -2,-0.1 2,-0.3 -0.856 14.4-125.8-124.7 168.7 21.9 10.3 40.8 11 54 A a E -E 101 0B 6 19,-0.5 21,-2.1 -2,-0.3 2,-0.3 -0.827 14.9-166.3-119.0 154.7 20.4 8.3 43.6 12 55 A A E +Ef 100 32B 4 88,-1.8 88,-3.0 -2,-0.3 2,-0.3 -0.967 18.1 152.9-133.9 150.8 18.2 8.9 46.6 13 56 A S E - f 0 33B 7 19,-2.1 21,-0.8 -2,-0.3 86,-0.1 -0.961 50.3-112.3-163.2 176.8 17.4 6.8 49.6 14 57 A D + 0 0 116 84,-0.4 85,-0.1 -2,-0.3 10,-0.1 -0.036 56.3 156.9-110.1 28.1 16.4 6.7 53.3 15 58 A A - 0 0 26 17,-0.1 2,-0.5 83,-0.1 -2,-0.1 -0.091 40.8-123.6 -52.4 151.5 19.7 5.2 54.5 16 59 A K > - 0 0 117 1,-0.1 3,-0.9 5,-0.1 12,-0.2 -0.892 6.1-149.5-105.4 129.3 20.6 5.8 58.1 17 60 A A T 3 S+ 0 0 88 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.752 97.9 50.9 -67.3 -25.2 23.9 7.5 58.9 18 61 A H T 3 S+ 0 0 156 2,-0.0 -1,-0.2 6,-0.0 2,-0.2 0.547 88.2 103.7 -91.4 -8.6 24.4 5.6 62.2 19 62 A E < - 0 0 66 -3,-0.9 -4,-0.0 1,-0.1 0, 0.0 -0.504 56.6-158.2 -76.9 141.6 23.8 2.2 60.6 20 63 A T + 0 0 107 -2,-0.2 73,-0.4 4,-0.1 -1,-0.1 0.518 55.5 120.8 -94.6 -8.7 26.8 -0.1 60.0 21 64 A E S > S- 0 0 7 1,-0.1 4,-2.3 71,-0.1 3,-0.3 -0.373 70.4-127.5 -58.5 131.3 24.9 -2.1 57.4 22 65 A V H > S+ 0 0 13 71,-2.5 4,-2.6 1,-0.2 5,-0.2 0.784 104.8 51.6 -60.4 -35.9 26.9 -1.8 54.1 23 66 A H H > S+ 0 0 2 70,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.935 111.4 48.4 -65.3 -46.1 24.0 -0.6 51.9 24 67 A N H > S+ 0 0 17 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.908 112.2 49.9 -57.1 -44.4 23.1 2.1 54.4 25 68 A V H X S+ 0 0 59 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.941 112.9 45.6 -60.6 -49.6 26.8 3.1 54.5 26 69 A W H >X S+ 0 0 18 -4,-2.6 4,-2.0 1,-0.2 3,-0.6 0.940 114.6 46.9 -59.9 -49.6 27.1 3.2 50.7 27 70 A A H 3X S+ 0 0 1 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.804 106.0 59.9 -65.3 -30.8 23.9 5.2 50.2 28 71 A T H 3< S+ 0 0 50 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.837 117.2 31.8 -64.5 -33.1 24.8 7.6 53.0 29 72 A H H << S+ 0 0 158 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.670 129.5 36.2 -96.4 -21.0 27.9 8.6 51.0 30 73 A A H < S+ 0 0 50 -4,-2.0 -19,-0.5 -5,-0.2 2,-0.2 0.548 112.3 48.3-113.3 -11.1 26.6 8.1 47.5 31 74 A a < - 0 0 20 -4,-2.2 -19,-0.3 -5,-0.2 3,-0.0 -0.720 65.3-129.6-126.3 173.9 23.0 9.2 47.6 32 75 A V E -f 12 0B 73 -21,-2.1 -19,-2.1 -2,-0.2 -17,-0.1 -0.772 43.4 -75.9-117.6 168.0 20.8 12.0 48.8 33 76 A P E -f 13 0B 110 0, 0.0 -19,-0.2 0, 0.0 -1,-0.1 -0.281 52.2-109.5 -61.4 146.4 17.5 12.1 50.9 34 77 A T - 0 0 38 -21,-0.8 3,-0.0 -22,-0.1 -21,-0.0 -0.312 31.2-105.2 -72.1 160.2 14.3 11.0 49.1 35 78 A D - 0 0 82 1,-0.1 -1,-0.1 -2,-0.0 96,-0.0 -0.811 21.1-158.2 -90.5 118.5 11.6 13.5 48.3 36 79 A P S S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.729 92.4 36.7 -67.4 -23.0 8.6 13.1 50.7 37 80 A N S S- 0 0 130 -3,-0.0 2,-0.1 2,-0.0 0, 0.0 -0.533 81.6-177.8-130.1 67.1 6.3 14.8 48.2 38 81 A P - 0 0 97 0, 0.0 2,-0.3 0, 0.0 -4,-0.0 -0.374 21.6-129.3 -68.4 141.0 7.4 13.7 44.7 39 82 A Q - 0 0 164 -2,-0.1 91,-0.5 2,-0.0 2,-0.4 -0.709 21.9-173.6 -92.9 141.9 5.6 15.1 41.7 40 83 A E E -B 129 0A 82 -2,-0.3 2,-0.6 89,-0.1 89,-0.2 -0.949 6.6-161.9-137.4 116.7 4.1 13.0 38.9 41 84 A I E -B 128 0A 104 87,-1.7 87,-2.6 -2,-0.4 2,-0.6 -0.870 12.1-145.6-102.2 116.8 2.6 14.5 35.8 42 85 A H E -B 127 0A 122 -2,-0.6 2,-0.4 85,-0.3 85,-0.3 -0.708 16.6-137.2 -83.5 118.5 0.4 12.1 33.8 43 86 A L E -B 126 0A 34 83,-2.5 83,-0.5 -2,-0.6 3,-0.5 -0.599 13.6-141.7 -80.5 129.8 0.7 12.8 30.1 44 87 A E S S- 0 0 171 -2,-0.4 3,-0.1 1,-0.2 81,-0.1 -0.756 76.1 -6.8 -95.8 135.9 -2.6 12.9 28.1 45 88 A N S S+ 0 0 169 -2,-0.4 2,-0.6 1,-0.2 -1,-0.2 0.831 95.2 139.4 50.5 38.6 -2.8 11.4 24.6 46 89 A V - 0 0 35 -3,-0.5 2,-0.6 78,-0.4 80,-0.3 -0.946 36.9-162.6-116.7 114.7 1.0 10.9 24.5 47 90 A T - 0 0 84 -2,-0.6 2,-0.4 -3,-0.1 77,-0.2 -0.850 12.5-179.3 -97.9 122.4 2.4 7.7 23.0 48 91 A E E -H 123 0C 28 75,-1.4 75,-2.0 -2,-0.6 2,-0.3 -0.946 20.5-134.8-121.6 141.7 5.9 6.8 23.9 49 92 A N E -H 122 0C 102 -2,-0.4 2,-0.3 73,-0.2 71,-0.0 -0.752 22.7-167.7 -93.3 141.5 8.1 3.8 22.8 50 93 A F E -H 121 0C 11 71,-2.3 71,-2.0 -2,-0.3 2,-0.2 -0.905 17.0-170.5-125.5 154.1 10.1 1.9 25.4 51 94 A N E > -H 120 0C 71 -2,-0.3 3,-1.8 69,-0.2 69,-0.2 -0.693 2.4-177.6-144.4 91.3 12.9 -0.7 25.2 52 95 A M T 3 S+ 0 0 2 67,-2.3 3,-0.4 1,-0.3 68,-0.1 0.726 85.8 59.4 -58.4 -22.9 13.8 -2.3 28.5 53 96 A W T 3 S+ 0 0 17 1,-0.3 -1,-0.3 66,-0.2 2,-0.2 0.615 109.5 42.0 -86.7 -13.4 16.5 -4.3 26.8 54 97 A K S < S+ 0 0 141 -3,-1.8 2,-0.4 4,-0.0 -1,-0.3 -0.641 82.2 132.4-128.6 74.0 18.3 -1.2 25.6 55 98 A N >> - 0 0 16 -3,-0.4 3,-1.9 -2,-0.2 4,-0.7 -0.951 45.9-156.1-133.9 112.5 18.1 1.1 28.6 56 99 A N H 3> S+ 0 0 53 -2,-0.4 4,-1.8 1,-0.3 5,-0.1 0.683 91.3 73.3 -62.7 -18.3 21.2 3.0 30.0 57 100 A M H 3> S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.857 94.0 55.5 -60.5 -34.4 19.5 3.2 33.4 58 101 A V H <> S+ 0 0 1 -3,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.923 105.9 48.5 -65.2 -46.3 20.3 -0.5 33.7 59 102 A E H X S+ 0 0 55 -4,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.861 111.7 51.2 -61.4 -36.5 24.0 -0.1 33.0 60 103 A Q H X S+ 0 0 25 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.906 109.9 47.0 -71.4 -42.4 24.2 2.7 35.6 61 104 A M H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.919 110.2 54.6 -62.7 -43.1 22.5 0.7 38.4 62 105 A Q H X S+ 0 0 18 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.901 107.4 51.1 -53.6 -43.4 24.8 -2.1 37.5 63 106 A E H X S+ 0 0 121 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.885 110.1 48.6 -65.1 -41.2 27.7 0.3 38.0 64 107 A D H X S+ 0 0 44 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.959 111.8 47.9 -60.0 -53.1 26.4 1.4 41.4 65 108 A V H X S+ 0 0 4 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.847 111.3 51.1 -62.2 -35.2 25.9 -2.1 42.7 66 109 A I H X S+ 0 0 45 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.904 111.1 48.6 -65.1 -41.9 29.3 -3.1 41.5 67 110 A S H X S+ 0 0 37 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.894 111.3 50.3 -64.0 -40.9 30.8 -0.1 43.4 68 111 A L H X S+ 0 0 4 -4,-2.7 4,-1.2 1,-0.2 3,-0.3 0.915 113.8 43.7 -64.9 -45.1 28.8 -1.0 46.5 69 112 A W H X S+ 0 0 6 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.877 110.9 54.9 -68.2 -38.6 30.0 -4.6 46.5 70 113 A D H < S+ 0 0 64 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.756 115.0 40.6 -65.7 -24.1 33.6 -3.7 45.7 71 114 A Q H < S+ 0 0 134 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.650 129.3 24.5 -99.1 -18.6 33.6 -1.4 48.7 72 115 A S H < S+ 0 0 23 -4,-1.2 -3,-0.2 -3,-0.2 -2,-0.2 0.504 118.4 51.2-127.9 -10.7 31.8 -3.5 51.3 73 116 A L < + 0 0 12 -4,-2.5 -1,-0.1 -5,-0.2 -2,-0.1 -0.384 64.5 161.7-128.9 57.8 32.2 -7.1 50.2 74 117 A Q - 0 0 49 -3,-0.1 -4,-0.1 14,-0.1 2,-0.0 -0.646 30.0-138.6 -78.6 128.6 35.9 -7.7 49.7 75 118 A P - 0 0 2 0, 0.0 12,-0.3 0, 0.0 209,-0.2 -0.252 20.3-112.1 -78.2 170.5 36.9 -11.4 49.7 76 119 A b S S+ 0 0 26 207,-2.6 11,-2.5 1,-0.3 2,-0.4 0.888 104.2 16.2 -69.6 -41.2 40.0 -12.9 51.4 77 120 A V E -IJ 86 283D 25 206,-1.0 206,-1.8 9,-0.2 2,-0.5 -0.996 69.7-158.3-138.4 130.6 41.5 -13.7 48.0 78 121 A K E -IJ 85 282D 35 7,-2.7 7,-2.4 -2,-0.4 2,-0.7 -0.926 1.2-163.3-111.4 130.6 40.5 -12.5 44.6 79 122 A L E +IJ 84 281D 78 202,-2.8 202,-1.5 -2,-0.5 2,-0.4 -0.754 36.4 136.8-113.7 83.7 41.4 -14.4 41.4 80 123 A T E > +I 83 0D 43 3,-1.0 3,-1.4 -2,-0.7 200,-0.1 -0.990 64.4 4.3-134.6 137.4 41.0 -12.0 38.5 81 124 A G T 3 S- 0 0 83 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.712 122.8 -68.1 67.2 21.3 43.2 -11.3 35.4 82 198 A G T 3 S+ 0 0 83 1,-0.3 -1,-0.3 -3,-0.0 2,-0.2 0.277 113.0 114.0 81.9 -11.8 45.5 -14.1 36.4 83 199 A S E < -I 80 0D 60 -3,-1.4 -3,-1.0 2,-0.0 2,-0.5 -0.503 62.5-132.1 -90.3 160.7 46.6 -12.1 39.4 84 200 A V E -I 79 0D 74 -5,-0.2 2,-0.6 -2,-0.2 -5,-0.2 -0.961 16.4-168.4-118.6 124.2 46.1 -12.9 43.0 85 201 A I E -I 78 0D 62 -7,-2.4 -7,-2.7 -2,-0.5 2,-0.6 -0.935 1.4-167.8-116.2 114.2 44.7 -10.4 45.5 86 202 A K E +I 77 0D 167 -2,-0.6 -9,-0.2 -9,-0.2 2,-0.2 -0.888 21.5 154.4-103.8 119.7 44.9 -11.1 49.2 87 203 A Q - 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