==== 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 4DVT . 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) . 31796.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 467 68.9 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 . 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 . 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 . 100 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 7.7 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 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 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 0 111 0, 0.0 340,-1.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 151.3 8.6 17.8 23.9 2 45 A W E -A 340 0A 79 338,-0.2 2,-0.3 105,-0.0 338,-0.2 -0.970 360.0-147.6-156.9 167.2 11.2 15.2 24.6 3 46 A K E -A 339 0A 156 336,-1.3 336,-3.5 -2,-0.3 2,-0.1 -0.992 37.7 -91.5-142.3 148.0 13.4 12.5 23.1 4 47 A D E +A 338 0A 105 -2,-0.3 2,-0.3 334,-0.3 334,-0.3 -0.395 60.9 161.6 -56.7 126.2 14.8 9.1 24.3 5 48 A A - 0 0 18 332,-2.0 2,-0.4 -2,-0.1 332,-0.2 -0.983 37.1-129.5-149.8 157.6 18.2 9.9 25.9 6 49 A D + 0 0 113 -2,-0.3 2,-0.3 330,-0.1 332,-0.0 -0.937 32.8 162.3-111.8 132.8 20.8 8.4 28.3 7 50 A T - 0 0 23 -2,-0.4 2,-1.0 331,-0.0 -2,-0.0 -0.977 49.1 -88.8-144.9 157.6 22.2 10.4 31.2 8 51 A T - 0 0 118 -2,-0.3 -2,-0.0 95,-0.0 2,-0.0 -0.550 51.5-156.7 -69.7 102.5 24.0 9.7 34.5 9 52 A L - 0 0 24 -2,-1.0 2,-0.3 94,-0.1 94,-0.2 -0.223 1.7-141.2 -74.2 166.7 21.2 9.1 36.9 10 53 A F E -E 102 0B 76 92,-1.8 92,-3.5 94,-0.0 2,-0.2 -0.896 13.1-126.5-126.6 162.4 21.4 9.4 40.7 11 54 A a E -Ef 101 31B 7 19,-0.5 21,-1.6 -2,-0.3 2,-0.3 -0.692 15.0-166.8-111.3 160.0 20.0 7.3 43.5 12 55 A A E +Ef 100 32B 4 88,-2.0 88,-3.0 19,-0.3 2,-0.3 -0.996 16.4 155.6-144.0 143.0 17.8 8.0 46.6 13 56 A S E - f 0 33B 8 19,-2.0 21,-0.8 -2,-0.3 86,-0.1 -0.881 48.9-115.2-152.5-178.5 17.0 5.8 49.6 14 57 A D + 0 0 119 84,-0.4 85,-0.1 -2,-0.3 10,-0.1 -0.017 56.3 156.2-114.2 25.8 15.9 5.7 53.2 15 58 A A - 0 0 25 83,-0.1 2,-0.5 17,-0.1 -2,-0.1 -0.124 42.7-121.4 -53.6 147.6 19.2 4.3 54.5 16 59 A K > - 0 0 114 1,-0.1 3,-1.4 2,-0.0 12,-0.2 -0.828 6.4-146.3 -97.5 130.6 20.2 4.9 58.1 17 60 A A T 3 S+ 0 0 89 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.523 98.9 52.7 -72.9 -4.8 23.5 6.7 58.7 18 61 A H T 3 S+ 0 0 145 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.311 84.3 107.7-112.7 5.7 24.0 4.6 61.9 19 62 A E < - 0 0 70 -3,-1.4 6,-0.0 1,-0.1 -4,-0.0 -0.697 55.0-157.0 -89.1 136.1 23.6 1.2 60.4 20 63 A T + 0 0 110 -2,-0.4 73,-0.5 4,-0.1 2,-0.2 0.505 58.7 120.7 -84.9 -6.0 26.6 -1.1 59.9 21 64 A E S > S- 0 0 6 1,-0.1 4,-2.5 71,-0.1 5,-0.2 -0.416 70.2-129.6 -62.9 129.4 24.6 -2.9 57.2 22 65 A V H > S+ 0 0 9 71,-2.3 4,-2.4 1,-0.2 5,-0.2 0.849 104.2 51.0 -52.1 -45.5 26.6 -2.7 53.9 23 66 A H H > S+ 0 0 1 70,-0.3 4,-2.8 2,-0.2 5,-0.3 0.931 112.3 46.4 -60.4 -47.9 23.7 -1.5 51.8 24 67 A N H > S+ 0 0 16 -3,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.936 112.3 50.3 -58.4 -49.4 22.8 1.3 54.2 25 68 A V H X S+ 0 0 62 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.887 113.6 46.8 -56.8 -41.5 26.4 2.4 54.5 26 69 A W H >X S+ 0 0 19 -4,-2.4 3,-1.1 -5,-0.2 4,-1.1 0.957 113.8 44.6 -67.1 -52.8 26.7 2.5 50.8 27 70 A A H 3X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.3 -1,-0.2 0.806 107.0 62.4 -62.7 -29.9 23.5 4.4 50.1 28 71 A T H 3< S+ 0 0 51 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.784 115.3 31.7 -65.1 -27.2 24.4 6.8 52.9 29 72 A H H << S+ 0 0 153 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.472 130.2 35.0-108.9 -6.3 27.5 7.9 51.0 30 73 A A H < S+ 0 0 52 -4,-1.1 -19,-0.5 -3,-0.1 2,-0.2 0.473 112.6 49.3-127.4 -9.0 26.2 7.5 47.4 31 74 A a E < -f 11 0B 20 -4,-2.3 -19,-0.3 -5,-0.2 3,-0.0 -0.730 66.0-129.1-128.0 175.7 22.6 8.5 47.6 32 75 A V E -f 12 0B 73 -21,-1.6 -19,-2.0 -2,-0.2 -17,-0.1 -0.800 42.3 -75.0-121.5 166.4 20.3 11.2 48.8 33 76 A P E -f 13 0B 109 0, 0.0 -19,-0.2 0, 0.0 -1,-0.1 -0.215 53.9-109.0 -57.2 148.9 17.1 11.2 50.9 34 77 A T - 0 0 36 -21,-0.8 3,-0.1 -22,-0.1 -21,-0.1 -0.346 32.0-101.6 -76.7 161.8 13.9 10.1 49.2 35 78 A D - 0 0 75 1,-0.2 -1,-0.1 -2,-0.1 96,-0.0 -0.785 26.0-159.2 -88.6 113.6 11.1 12.5 48.3 36 79 A P S S+ 0 0 123 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.838 90.9 28.0 -61.1 -37.0 8.3 12.1 50.9 37 80 A N S S- 0 0 142 -3,-0.1 -2,-0.0 2,-0.0 0, 0.0 -0.605 87.4-175.5-127.2 71.6 5.7 13.6 48.5 38 81 A P - 0 0 81 0, 0.0 2,-0.3 0, 0.0 91,-0.0 -0.123 19.1-122.5 -66.6 161.6 6.9 12.9 45.0 39 82 A Q - 0 0 93 2,-0.0 91,-0.5 0, 0.0 2,-0.3 -0.784 23.2-176.6-108.8 151.2 5.2 14.1 41.8 40 83 A E E -B 129 0A 84 -2,-0.3 2,-0.7 89,-0.1 89,-0.2 -0.887 10.0-159.0-150.7 115.5 3.7 12.1 38.9 41 84 A I E -B 128 0A 104 87,-1.8 87,-2.3 -2,-0.3 2,-0.6 -0.848 12.9-146.5 -99.3 114.0 2.2 13.6 35.7 42 85 A H E -B 127 0A 124 -2,-0.7 2,-0.6 85,-0.3 85,-0.3 -0.693 15.1-141.3 -80.4 117.4 -0.1 11.2 33.8 43 86 A L E > -B 126 0A 30 83,-2.6 83,-0.7 -2,-0.6 3,-0.7 -0.701 14.1-151.2 -85.8 115.6 0.2 11.8 30.1 44 87 A E T 3 S+ 0 0 177 -2,-0.6 3,-0.1 1,-0.2 81,-0.1 -0.620 74.7 6.0 -87.1 144.4 -3.1 11.6 28.3 45 88 A N T 3 S+ 0 0 172 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.790 98.1 135.7 57.1 30.1 -3.4 10.6 24.6 46 89 A V < - 0 0 34 -3,-0.7 2,-0.5 78,-0.4 80,-0.3 -0.902 38.5-164.9-112.6 138.9 0.4 9.8 24.7 47 90 A T + 0 0 85 -2,-0.4 2,-0.4 -3,-0.1 77,-0.2 -0.961 10.2 178.2-126.5 115.5 2.1 6.8 23.2 48 91 A E E -H 123 0C 28 75,-1.2 75,-2.0 -2,-0.5 2,-0.5 -0.928 22.7-134.3-118.0 140.0 5.7 5.9 24.0 49 92 A N E -H 122 0C 101 -2,-0.4 2,-0.2 73,-0.2 71,-0.0 -0.796 24.7-167.1 -93.0 130.0 7.7 2.9 22.9 50 93 A F E -H 121 0C 11 71,-3.1 71,-1.8 -2,-0.5 286,-0.1 -0.689 16.2-172.6-111.4 165.8 9.7 1.0 25.5 51 94 A N E > -H 120 0C 68 284,-0.2 3,-1.9 -2,-0.2 69,-0.2 -0.501 5.1-179.5-159.8 83.6 12.4 -1.6 25.3 52 95 A M G > S+ 0 0 2 67,-2.5 3,-0.6 1,-0.3 6,-0.1 0.771 84.0 61.8 -54.6 -29.4 13.5 -3.2 28.6 53 96 A W G 3 S+ 0 0 20 1,-0.3 -1,-0.3 66,-0.2 2,-0.1 0.639 111.4 36.5 -79.2 -14.7 16.1 -5.3 26.8 54 97 A K G < S+ 0 0 152 -3,-1.9 2,-0.5 4,-0.0 -1,-0.3 -0.530 84.1 132.4-133.7 68.1 18.0 -2.3 25.6 55 98 A N X> - 0 0 16 -3,-0.6 3,-1.8 1,-0.1 4,-0.8 -0.964 47.4-152.9-127.4 116.1 17.8 0.2 28.5 56 99 A N H 3> S+ 0 0 50 -2,-0.5 4,-2.2 1,-0.3 5,-0.2 0.724 92.1 74.5 -58.9 -23.1 20.8 2.1 29.9 57 100 A M H 3> S+ 0 0 5 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.875 94.2 53.2 -56.5 -37.6 19.0 2.3 33.2 58 101 A V H <> S+ 0 0 0 -3,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.939 106.8 49.8 -63.6 -49.3 19.9 -1.4 33.7 59 102 A E H X S+ 0 0 53 -4,-0.8 4,-1.9 1,-0.2 -2,-0.2 0.895 110.5 51.3 -56.7 -42.6 23.6 -0.9 33.0 60 103 A Q H X S+ 0 0 25 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.933 110.2 46.4 -64.0 -48.3 23.8 1.9 35.5 61 104 A M H X S+ 0 0 1 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.895 109.6 56.3 -60.5 -40.0 22.2 0.0 38.3 62 105 A Q H X S+ 0 0 18 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.900 106.3 50.8 -55.7 -42.6 24.4 -2.9 37.5 63 106 A E H X S+ 0 0 122 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.882 110.6 48.9 -64.6 -40.2 27.4 -0.6 38.0 64 107 A D H X S+ 0 0 46 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.968 110.9 48.2 -62.6 -55.0 26.1 0.6 41.3 65 108 A V H X S+ 0 0 3 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.896 111.5 51.3 -53.9 -44.1 25.4 -2.9 42.7 66 109 A I H X S+ 0 0 46 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.920 110.7 48.6 -58.6 -44.9 28.9 -4.0 41.5 67 110 A S H X S+ 0 0 40 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.908 108.0 54.4 -61.5 -43.5 30.4 -1.0 43.3 68 111 A L H X S+ 0 0 6 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.850 113.3 42.9 -59.4 -35.8 28.4 -1.8 46.5 69 112 A W H X S+ 0 0 5 -4,-1.8 4,-1.2 -5,-0.2 -1,-0.2 0.819 108.1 57.8 -80.5 -33.4 29.9 -5.3 46.4 70 113 A D H < S+ 0 0 69 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.687 116.4 37.2 -68.5 -17.6 33.4 -4.1 45.6 71 114 A Q H < S+ 0 0 135 -4,-1.1 -2,-0.2 -5,-0.2 3,-0.2 0.784 130.9 22.9-103.9 -36.6 33.4 -2.0 48.7 72 115 A S H < S+ 0 0 26 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.1 0.078 120.7 51.8-123.8 23.0 31.5 -4.1 51.3 73 116 A L < + 0 0 15 -4,-1.2 -1,-0.1 -51,-0.1 -2,-0.1 -0.174 61.4 154.1-155.7 52.4 31.9 -7.7 50.0 74 117 A Q - 0 0 51 -3,-0.2 -4,-0.1 16,-0.1 4,-0.0 -0.745 34.4-137.5 -87.2 128.5 35.5 -8.5 49.3 75 118 A P - 0 0 1 0, 0.0 209,-0.2 0, 0.0 12,-0.2 -0.223 20.6-111.0 -77.2 169.7 36.4 -12.2 49.5 76 119 A b S S+ 0 0 23 207,-2.3 11,-2.4 1,-0.3 2,-0.4 0.937 104.7 18.7 -65.8 -48.5 39.5 -13.7 51.2 77 120 A V E S-IJ 86 283D 27 206,-1.1 206,-2.4 9,-0.2 2,-0.5 -0.991 70.6-162.8-129.3 131.0 41.0 -14.8 47.8 78 121 A K E -IJ 85 282D 35 7,-3.0 7,-2.4 -2,-0.4 2,-0.7 -0.955 3.8-158.7-117.6 126.8 40.0 -13.5 44.4 79 122 A L E +IJ 84 281D 71 202,-3.4 202,-1.4 -2,-0.5 5,-0.2 -0.895 33.8 135.7-107.4 110.3 40.9 -15.3 41.2 80 123 A T - 0 0 51 3,-1.8 2,-4.3 -2,-0.7 200,-0.1 -0.057 64.1 -0.2-122.8-136.9 40.9 -13.1 38.1 81 124 A G S S- 0 0 81 1,-0.3 3,-0.1 198,-0.1 199,-0.0 -0.183 122.7 -62.7 -58.9 62.0 43.1 -12.5 35.0 82 198 A G S S+ 0 0 81 -2,-4.3 2,-0.3 1,-0.3 -1,-0.3 0.477 112.8 119.2 71.9 1.2 45.6 -15.2 36.2 83 199 A S - 0 0 51 2,-0.0 -3,-1.8 0, 0.0 2,-0.6 -0.738 57.6-142.7-101.0 148.7 46.3 -13.0 39.2 84 200 A V E -I 79 0D 88 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.919 16.5-170.6-114.2 108.7 45.7 -14.1 42.9 85 201 A I E -I 78 0D 77 -7,-2.4 -7,-3.0 -2,-0.6 2,-0.4 -0.870 3.2-172.2-103.2 122.4 44.5 -11.3 45.2 86 202 A K E +I 77 0D 160 -2,-0.6 2,-0.3 -9,-0.2 -9,-0.2 -0.917 17.3 141.9-115.0 139.2 44.3 -11.9 48.9 87 203 A Q - 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