==== 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 4DVS . 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) . 460 67.8 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 . 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 . 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 . 97 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 7.2 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 1 2 1 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 2 15 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 0 117 0, 0.0 340,-1.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 147.7 8.5 17.8 24.0 2 45 A W E -A 340 0A 77 338,-0.2 2,-0.3 339,-0.1 338,-0.2 -0.876 360.0-148.1-151.7 179.8 11.2 15.2 24.7 3 46 A K E -A 339 0A 123 336,-1.1 336,-2.9 -2,-0.3 0, 0.0 -0.986 37.2 -85.1-157.7 149.4 13.3 12.4 23.2 4 47 A D E +A 338 0A 106 -2,-0.3 2,-0.3 334,-0.2 334,-0.2 -0.304 61.6 155.5 -53.7 135.7 14.9 9.1 24.2 5 48 A A - 0 0 19 332,-1.9 2,-0.4 2,-0.0 332,-0.2 -0.991 38.8-128.3-161.8 158.4 18.3 9.8 25.9 6 49 A D + 0 0 110 -2,-0.3 2,-0.3 330,-0.1 332,-0.0 -0.948 32.8 158.9-114.7 135.9 20.9 8.4 28.3 7 50 A T - 0 0 31 -2,-0.4 2,-0.5 331,-0.0 -2,-0.0 -0.967 49.5 -82.7-147.3 162.0 22.3 10.4 31.2 8 51 A T - 0 0 114 -2,-0.3 2,-0.1 1,-0.0 49,-0.0 -0.548 49.6-152.9 -69.8 119.6 24.0 9.7 34.5 9 52 A L - 0 0 18 -2,-0.5 2,-0.3 94,-0.1 94,-0.2 -0.446 2.6-146.7 -86.7 163.5 21.4 8.9 37.1 10 53 A F E -E 102 0B 79 92,-2.2 92,-3.1 -2,-0.1 2,-0.3 -0.835 14.5-125.2-122.9 168.6 21.6 9.4 40.8 11 54 A a E -E 101 0B 7 19,-0.5 21,-2.3 -2,-0.3 2,-0.3 -0.829 15.0-166.6-119.2 154.1 20.1 7.3 43.7 12 55 A A E +Ef 100 32B 4 88,-1.9 88,-3.1 -2,-0.3 2,-0.3 -0.978 18.1 154.0-134.2 148.2 17.9 7.9 46.7 13 56 A S E - f 0 33B 8 19,-2.2 21,-0.9 -2,-0.3 86,-0.1 -0.932 49.4-115.6-158.0 178.2 17.2 5.7 49.7 14 57 A D + 0 0 101 84,-0.4 85,-0.1 -2,-0.3 10,-0.1 -0.087 55.7 158.1-114.0 31.2 16.1 5.7 53.3 15 58 A A - 0 0 24 83,-0.1 2,-0.5 8,-0.1 -2,-0.1 -0.098 41.3-121.2 -55.3 153.0 19.4 4.2 54.5 16 59 A K > - 0 0 109 1,-0.1 3,-1.4 5,-0.1 12,-0.1 -0.885 7.3-150.6-103.9 124.8 20.4 4.7 58.2 17 60 A A T 3 S+ 0 0 87 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.714 98.1 52.6 -64.7 -20.6 23.7 6.5 58.8 18 61 A H T 3 S+ 0 0 156 -3,-0.0 -1,-0.3 2,-0.0 2,-0.2 0.480 86.6 104.5 -96.1 -4.3 24.2 4.5 62.1 19 62 A E < - 0 0 77 -3,-1.4 -4,-0.0 1,-0.1 0, 0.0 -0.565 54.4-160.5 -78.7 140.0 23.7 1.1 60.5 20 63 A T + 0 0 112 -2,-0.2 73,-0.4 4,-0.1 -1,-0.1 0.549 57.0 120.3 -91.1 -11.7 26.7 -1.1 59.9 21 64 A E S > S- 0 0 8 1,-0.1 4,-2.1 71,-0.1 3,-0.4 -0.347 71.6-127.9 -55.8 129.6 24.7 -3.1 57.4 22 65 A V H > S+ 0 0 12 71,-2.8 4,-2.6 1,-0.3 5,-0.2 0.782 103.8 52.1 -60.7 -36.0 26.6 -2.8 54.1 23 66 A H H > S+ 0 0 2 70,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.917 111.0 48.8 -65.6 -43.2 23.8 -1.6 51.9 24 67 A N H > S+ 0 0 17 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.905 112.4 49.1 -60.1 -43.5 22.9 1.2 54.4 25 68 A V H X S+ 0 0 55 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.931 112.4 47.4 -62.0 -47.5 26.6 2.2 54.5 26 69 A W H >X S+ 0 0 16 -4,-2.6 4,-1.4 1,-0.2 3,-0.6 0.951 114.9 44.1 -60.3 -51.6 26.9 2.3 50.7 27 70 A A H 3X S+ 0 0 1 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.829 106.1 62.3 -65.3 -33.2 23.7 4.3 50.1 28 71 A T H 3< S+ 0 0 47 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.857 117.1 29.8 -59.3 -35.5 24.5 6.7 53.0 29 72 A H H << S+ 0 0 157 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.561 130.5 37.7-100.4 -12.4 27.6 7.7 51.1 30 73 A A H < S+ 0 0 51 -4,-1.4 -19,-0.5 -5,-0.2 2,-0.2 0.593 112.3 46.5-116.4 -17.2 26.4 7.2 47.5 31 74 A a < - 0 0 18 -4,-2.9 -19,-0.3 -5,-0.2 3,-0.1 -0.714 66.9-128.1-123.5 172.8 22.7 8.3 47.6 32 75 A V E -f 12 0B 73 -21,-2.3 -19,-2.2 -2,-0.2 -3,-0.0 -0.716 44.1 -75.8-113.3 168.7 20.5 11.1 48.8 33 76 A P E -f 13 0B 109 0, 0.0 -19,-0.2 0, 0.0 -1,-0.1 -0.279 53.7-107.3 -60.5 149.4 17.3 11.0 50.9 34 77 A T - 0 0 33 -21,-0.9 3,-0.1 -22,-0.1 -21,-0.0 -0.362 32.6-103.6 -75.1 158.8 14.1 9.9 49.2 35 78 A D - 0 0 79 1,-0.2 -1,-0.1 -2,-0.1 96,-0.0 -0.768 23.4-159.7 -86.8 117.0 11.3 12.4 48.3 36 79 A P S S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.800 91.5 37.0 -65.5 -30.2 8.4 12.1 50.8 37 80 A N S S- 0 0 137 -3,-0.1 -2,-0.0 2,-0.0 0, 0.0 -0.571 83.9-171.9-123.2 68.1 6.0 13.7 48.4 38 81 A P - 0 0 98 0, 0.0 2,-0.4 0, 0.0 -4,-0.0 -0.281 17.5-132.0 -62.4 142.1 7.1 12.5 44.9 39 82 A Q - 0 0 152 2,-0.0 91,-0.5 0, 0.0 2,-0.4 -0.818 23.0-175.2-100.4 135.1 5.4 14.1 41.9 40 83 A E - 0 0 84 -2,-0.4 2,-0.6 89,-0.1 89,-0.2 -0.991 8.4-162.7-133.5 128.0 3.9 12.1 39.1 41 84 A I E -B 128 0A 85 87,-2.2 87,-3.1 -2,-0.4 2,-0.6 -0.934 10.9-148.0-113.4 117.6 2.4 13.4 35.9 42 85 A H E -B 127 0A 106 -2,-0.6 2,-0.3 85,-0.3 85,-0.3 -0.743 22.6-129.7 -84.4 117.7 0.1 11.1 33.8 43 86 A L > - 0 0 32 83,-2.4 3,-0.9 -2,-0.6 83,-0.5 -0.514 21.9-116.8 -74.6 125.6 0.5 12.0 30.1 44 87 A E T 3 S- 0 0 176 -2,-0.3 -1,-0.1 1,-0.3 81,-0.0 -0.457 80.4 -33.4 -66.8 116.3 -2.8 12.5 28.3 45 88 A N T 3 S+ 0 0 162 -2,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.828 93.1 156.4 37.9 51.6 -3.2 9.9 25.6 46 89 A V < - 0 0 37 -3,-0.9 2,-0.5 78,-0.4 80,-0.3 -0.893 32.8-148.3-107.4 134.8 0.5 9.7 24.8 47 90 A T + 0 0 79 -2,-0.4 2,-0.4 78,-0.1 77,-0.2 -0.901 19.2 177.8-104.6 125.2 2.0 6.7 23.2 48 91 A E E -H 123 0C 27 75,-1.6 75,-2.1 -2,-0.5 2,-0.4 -0.977 22.3-134.6-127.4 139.3 5.6 5.8 24.1 49 92 A N E -H 122 0C 104 -2,-0.4 2,-0.3 73,-0.2 71,-0.0 -0.756 23.3-167.4 -91.7 138.2 7.8 2.8 22.9 50 93 A F E -H 121 0C 11 71,-2.6 71,-2.0 -2,-0.4 2,-0.2 -0.864 17.1-171.7-121.3 156.5 9.8 0.9 25.5 51 94 A N E > -H 120 0C 73 -2,-0.3 3,-2.1 69,-0.2 69,-0.2 -0.654 2.4-177.9-146.9 88.4 12.6 -1.7 25.2 52 95 A M T 3 S+ 0 0 1 67,-2.3 3,-0.4 1,-0.3 68,-0.1 0.709 85.8 60.2 -57.8 -20.9 13.5 -3.2 28.6 53 96 A W T 3 S+ 0 0 13 1,-0.3 -1,-0.3 66,-0.2 2,-0.2 0.585 109.5 40.6 -88.0 -12.2 16.2 -5.2 26.8 54 97 A K S < S+ 0 0 148 -3,-2.1 2,-0.4 4,-0.0 -1,-0.3 -0.613 82.2 131.5-132.2 73.6 18.0 -2.1 25.7 55 98 A N >> - 0 0 14 -3,-0.4 3,-1.9 -2,-0.2 4,-0.8 -0.959 46.4-155.5-132.8 112.6 17.8 0.2 28.7 56 99 A N H 3> S+ 0 0 52 -2,-0.4 4,-1.8 1,-0.3 5,-0.1 0.679 91.7 74.2 -62.9 -17.0 20.9 2.1 30.0 57 100 A M H 3> S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.867 94.0 54.3 -60.3 -35.6 19.2 2.3 33.4 58 101 A V H <> S+ 0 0 1 -3,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.931 105.7 50.2 -64.3 -47.5 20.0 -1.4 33.7 59 102 A E H X S+ 0 0 50 -4,-0.8 4,-1.9 1,-0.2 -1,-0.2 0.862 111.1 50.5 -58.6 -37.2 23.7 -0.9 33.0 60 103 A Q H X S+ 0 0 21 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.895 109.3 48.0 -72.5 -40.7 23.8 1.8 35.6 61 104 A M H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.907 110.1 54.6 -64.2 -40.7 22.2 -0.2 38.4 62 105 A Q H X S+ 0 0 15 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.933 107.8 50.0 -53.4 -48.5 24.6 -3.0 37.5 63 106 A E H X S+ 0 0 116 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.860 110.0 50.1 -62.0 -39.0 27.5 -0.6 38.0 64 107 A D H X S+ 0 0 42 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.944 112.3 46.2 -63.4 -49.0 26.1 0.5 41.4 65 108 A V H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.837 110.8 53.6 -66.6 -33.5 25.7 -3.0 42.7 66 109 A I H X S+ 0 0 56 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.927 111.9 44.4 -64.0 -45.6 29.1 -4.0 41.4 67 110 A S H X S+ 0 0 33 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.870 112.6 52.9 -66.5 -37.8 30.7 -1.1 43.3 68 111 A L H X S+ 0 0 3 -4,-2.5 4,-1.7 2,-0.2 3,-0.4 0.948 113.7 41.4 -62.7 -50.3 28.6 -1.9 46.4 69 112 A W H X S+ 0 0 7 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.869 111.4 57.6 -64.0 -37.2 29.7 -5.6 46.4 70 113 A D H < S+ 0 0 81 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.794 116.0 35.7 -63.6 -28.7 33.3 -4.5 45.6 71 114 A Q H < S+ 0 0 132 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.663 129.1 33.4 -96.9 -20.7 33.3 -2.3 48.7 72 115 A S H < S+ 0 0 20 -4,-1.7 2,-0.2 -5,-0.2 -3,-0.2 0.771 119.1 41.0-108.4 -35.6 31.3 -4.6 51.0 73 116 A L < + 0 0 11 -4,-3.0 -1,-0.1 -5,-0.2 -2,-0.1 -0.462 64.7 162.7-120.4 61.1 32.0 -8.2 50.0 74 117 A Q - 0 0 43 -2,-0.2 -4,-0.1 -3,-0.2 2,-0.0 -0.684 31.7-136.5 -78.5 126.6 35.7 -8.5 49.4 75 118 A P - 0 0 1 0, 0.0 209,-0.2 0, 0.0 3,-0.2 -0.284 18.1-112.9 -79.5 165.6 36.8 -12.2 49.5 76 119 A b S S+ 0 0 23 207,-2.2 11,-2.4 1,-0.3 2,-0.4 0.890 105.0 17.5 -63.3 -40.7 39.9 -13.6 51.3 77 120 A V E -IJ 86 283D 33 206,-1.2 206,-1.9 9,-0.2 2,-0.5 -0.995 68.7-161.7-138.5 129.8 41.3 -14.5 47.9 78 121 A K E -IJ 85 282D 36 7,-3.2 7,-2.6 -2,-0.4 2,-0.6 -0.941 2.3-163.3-112.8 132.0 40.4 -13.3 44.4 79 122 A L E +IJ 84 281D 71 202,-3.2 202,-2.2 -2,-0.5 2,-0.3 -0.880 31.7 138.6-117.0 99.2 41.4 -15.2 41.2 80 123 A T E > -I 83 0D 40 3,-1.4 3,-1.0 -2,-0.6 200,-0.1 -0.987 65.2 -1.7-146.6 131.9 41.1 -13.0 38.1 81 124 A G T 3 S- 0 0 85 -2,-0.3 3,-0.1 198,-0.3 199,-0.1 0.600 121.1 -65.9 70.2 11.6 43.2 -12.6 35.0 82 198 A G T 3 S+ 0 0 78 1,-0.4 -1,-0.3 0, 0.0 2,-0.1 0.003 111.5 110.5 99.6 -28.2 45.8 -15.0 36.3 83 199 A S E < -I 80 0D 69 -3,-1.0 -3,-1.4 1,-0.0 2,-0.5 -0.459 62.0-136.6 -79.2 153.0 46.9 -12.9 39.2 84 200 A V E -I 79 0D 75 -5,-0.2 2,-0.6 -2,-0.1 -5,-0.2 -0.951 15.3-166.2-116.1 119.3 46.1 -13.8 42.8 85 201 A I E -I 78 0D 77 -7,-2.6 -7,-3.2 -2,-0.5 2,-0.4 -0.912 5.5-173.0-108.9 119.4 44.8 -11.2 45.2 86 202 A K E +I 77 0D 149 -2,-0.6 2,-0.3 -9,-0.2 -9,-0.2 -0.860 18.0 140.3-109.9 146.1 44.7 -11.9 48.9 87 203 A Q - 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