==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/IMMUNE SYSTEM 12-APR-12 4EMZ . COMPND 2 MOLECULE: PROTEIN NEF; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR X.JIA,Y.XIONG . 826 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40739.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 573 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 247 29.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 0.2 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 . 98 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 2 2 1 1 1 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 7 11 5 3 5 2 0 1 4 4 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 3 3 0 0 0 0 0 0 1 1 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 7 C K 0 0 177 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -28.0 -27.8 26.1 2.7 2 8 C S + 0 0 103 2,-0.2 0, 0.0 1,-0.2 0, 0.0 0.700 360.0 53.2 -72.9 -24.8 -29.3 23.6 0.1 3 9 C S S > S+ 0 0 81 1,-0.2 3,-1.5 2,-0.2 -1,-0.2 0.683 95.7 65.1 -81.0 -25.6 -29.4 21.0 2.9 4 10 C V G > S+ 0 0 34 1,-0.3 3,-0.6 2,-0.1 -1,-0.2 0.718 94.0 66.2 -60.3 -21.8 -31.3 23.8 4.7 5 11 C I G 3 S+ 0 0 83 1,-0.2 -1,-0.3 2,-0.1 -2,-0.2 -0.045 71.2 85.0 -98.2 34.2 -33.6 22.8 1.7 6 12 C G G <> + 0 0 31 -3,-1.5 4,-0.8 1,-0.1 -1,-0.2 0.085 64.8 103.6 -95.4 12.2 -34.2 19.3 3.2 7 13 C W H <> + 0 0 2 -3,-0.6 4,-3.1 2,-0.2 5,-0.2 0.773 65.5 60.8 -61.1 -36.7 -36.9 21.3 5.1 8 14 C P H > S+ 0 0 51 0, 0.0 4,-3.6 0, 0.0 5,-0.2 0.920 103.5 51.2 -61.8 -41.3 -39.9 20.1 2.9 9 15 C A H > S+ 0 0 64 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.815 116.2 42.5 -61.0 -30.8 -39.1 16.6 4.1 10 16 C V H X S+ 0 0 8 -4,-0.8 4,-1.4 2,-0.2 -1,-0.2 0.821 115.6 47.3 -81.1 -38.1 -39.2 18.0 7.6 11 17 C R H X S+ 0 0 60 -4,-3.1 4,-1.6 2,-0.2 -2,-0.2 0.885 108.9 55.2 -70.5 -44.0 -42.2 20.1 7.1 12 18 C E H >< S+ 0 0 87 -4,-3.6 3,-1.1 -5,-0.2 -2,-0.2 0.978 113.5 41.6 -49.0 -55.2 -44.0 17.2 5.4 13 19 C R H 3< S+ 0 0 116 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.791 106.8 62.6 -66.5 -30.7 -43.3 15.2 8.6 14 20 C X H 3< S+ 0 0 0 -4,-1.4 -1,-0.3 3,-0.1 -2,-0.2 0.793 103.0 59.5 -63.9 -32.3 -44.2 18.1 10.7 15 21 C R S << S+ 0 0 145 -4,-1.6 49,-0.0 -3,-1.1 0, 0.0 -0.457 96.3 39.5 -90.3 170.5 -47.6 18.0 9.2 16 22 C R 0 0 173 1,-0.2 -1,-0.2 -2,-0.2 511,-0.0 0.973 360.0 360.0 44.3 68.9 -49.8 14.9 9.6 17 23 C A 0 0 79 -3,-0.2 -1,-0.2 0, 0.0 -3,-0.1 -0.722 360.0 360.0-170.0 360.0 -48.6 14.4 13.2 18 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 19 55 C C 0 0 161 0, 0.0 2,-0.3 0, 0.0 475,-0.0 0.000 360.0 360.0 360.0 37.9 -59.7 -6.7 20.1 20 56 C A - 0 0 63 471,-0.1 2,-0.1 0, 0.0 471,-0.1 -0.992 360.0 -96.1-158.4 150.5 -57.8 -3.4 19.7 21 57 C W - 0 0 106 -2,-0.3 2,-0.3 471,-0.1 471,-0.2 -0.325 35.3-150.0 -79.4 152.4 -54.8 -2.0 17.9 22 58 C L E -A 491 0A 78 469,-2.9 469,-2.8 -2,-0.1 2,-0.3 -0.864 17.4-114.2-128.7 146.8 -51.3 -1.6 19.4 23 59 C E E -A 490 0A 103 -2,-0.3 2,-1.2 467,-0.2 467,-0.2 -0.610 34.7-121.6 -74.6 139.5 -48.4 0.6 19.1 24 60 C A - 0 0 1 465,-2.1 475,-0.1 -2,-0.3 476,-0.1 -0.737 29.4-138.6 -84.4 96.7 -45.4 -1.2 17.7 25 61 C Q - 0 0 136 -2,-1.2 475,-1.2 473,-0.3 2,-0.1 -0.374 19.6-128.9 -58.9 131.1 -43.0 -0.6 20.5 26 62 C E B -e 500 0B 86 473,-0.2 2,-0.8 1,-0.1 475,-0.2 -0.462 16.2-111.7 -76.8 153.3 -39.6 0.2 19.0 27 63 C E - 0 0 104 473,-1.2 2,-0.2 -2,-0.1 -1,-0.1 -0.822 39.1-140.8 -87.5 116.1 -36.5 -1.6 20.0 28 64 C E - 0 0 102 -2,-0.8 2,-0.4 473,-0.0 669,-0.0 -0.514 8.2-151.1 -78.8 137.9 -34.5 1.0 21.8 29 65 C E - 0 0 41 -2,-0.2 695,-0.2 2,-0.1 2,-0.1 -0.937 26.8-118.4-109.1 138.4 -30.8 1.3 21.3 30 66 C V B +q 724 0C 8 693,-1.9 695,-1.8 -2,-0.4 771,-0.0 -0.416 58.3 25.5 -83.9 150.6 -28.9 2.8 24.3 31 67 C G - 0 0 7 770,-0.3 770,-0.2 693,-0.2 -2,-0.1 0.009 69.6 -89.8 99.1 169.8 -26.9 5.9 24.6 32 68 C F E -R 800 0D 96 768,-3.2 768,-0.5 693,-0.0 771,-0.1 -0.811 40.5-161.2-124.8 87.5 -26.2 9.3 23.2 33 69 C P E -R 799 0D 23 0, 0.0 2,-0.3 0, 0.0 766,-0.2 -0.209 2.5-153.3 -64.8 155.7 -23.6 9.3 20.4 34 70 C V - 0 0 26 764,-2.0 791,-0.0 763,-0.1 -2,-0.0 -0.982 19.9-121.5-129.0 139.6 -21.6 12.3 19.3 35 71 C T > - 0 0 61 -2,-0.3 3,-0.7 3,-0.1 763,-0.0 -0.721 43.5-105.3 -90.7 137.3 -20.2 12.8 15.8 36 72 C P T 3 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 762,-0.1 0.664 91.7 2.5 -55.2 -52.8 -16.6 13.3 16.1 37 73 C Q T 3 S+ 0 0 133 116,-0.1 117,-0.6 2,-0.1 115,-0.0 0.545 90.4 124.5-111.4 6.4 -15.3 16.7 15.7 38 74 C V < - 0 0 61 -3,-0.7 2,-0.2 115,-0.2 -3,-0.1 -0.432 59.3-124.4 -78.0 126.9 -18.4 18.6 15.1 39 75 C P - 0 0 53 0, 0.0 2,-0.5 0, 0.0 116,-0.1 -0.422 19.3-162.4 -73.9 132.6 -19.1 21.5 17.4 40 76 C L B +s 155 0E 25 114,-0.6 116,-0.5 -2,-0.2 44,-0.2 -0.967 21.1 161.6-115.6 131.6 -22.3 21.6 19.3 41 77 C R B -t 84 0F 74 42,-1.7 44,-1.6 -2,-0.5 2,-0.1 -0.874 42.8 -88.0-142.0 164.5 -23.4 25.0 20.7 42 78 C P - 0 0 0 0, 0.0 118,-0.1 0, 0.0 116,-0.1 -0.485 59.7 -86.0 -71.0 151.5 -26.4 26.7 22.0 43 79 C X - 0 0 0 42,-0.4 2,-0.3 -2,-0.1 3,-0.1 -0.219 48.9-138.4 -50.3 144.6 -28.7 28.4 19.4 44 80 C T > - 0 0 40 1,-0.1 4,-3.1 -3,-0.1 5,-0.3 -0.821 19.0-119.3-114.6 153.0 -27.6 32.0 18.6 45 81 C Y H > S+ 0 0 93 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.941 117.2 49.4 -47.3 -54.8 -29.5 35.2 18.1 46 82 C K H > S+ 0 0 140 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.841 114.8 42.3 -55.8 -39.3 -28.1 35.4 14.5 47 83 C A H > S+ 0 0 7 -3,-0.3 4,-3.8 2,-0.2 5,-0.3 0.891 113.6 51.5 -77.7 -37.5 -29.0 31.8 13.7 48 84 C A H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 58,-0.4 0.895 112.9 45.7 -65.9 -45.0 -32.4 32.1 15.3 49 85 C V H X S+ 0 0 24 -4,-2.8 4,-1.5 -5,-0.3 -1,-0.2 0.922 117.0 45.3 -59.1 -48.0 -33.2 35.2 13.3 50 86 C D H X S+ 0 0 80 -4,-1.9 4,-2.3 -5,-0.3 3,-0.4 0.957 115.0 45.8 -67.3 -51.1 -31.8 33.6 10.1 51 87 C L H X S+ 0 0 6 -4,-3.8 4,-2.8 1,-0.2 5,-0.2 0.957 109.1 58.7 -50.6 -53.6 -33.6 30.3 10.6 52 88 C S H X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.3 -1,-0.2 0.857 108.6 44.0 -42.0 -45.6 -36.8 32.3 11.5 53 89 C H H X S+ 0 0 93 -4,-1.5 4,-1.3 -3,-0.4 -1,-0.2 0.918 108.4 54.1 -82.1 -40.1 -36.7 34.0 8.1 54 90 C F H X S+ 0 0 21 -4,-2.3 4,-2.3 1,-0.2 3,-0.5 0.945 111.9 49.9 -52.8 -43.6 -36.0 31.0 6.0 55 91 C L H X S+ 0 0 0 -4,-2.8 4,-1.3 1,-0.2 6,-0.5 0.841 106.6 51.0 -65.0 -37.4 -39.0 29.4 7.7 56 92 C K H < S+ 0 0 105 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.697 115.2 46.9 -75.9 -19.4 -41.4 32.4 7.1 57 93 C E H < S+ 0 0 151 -4,-1.3 -2,-0.2 -3,-0.5 -3,-0.1 0.945 115.5 37.7 -81.4 -62.0 -40.5 32.3 3.5 58 94 C K H < S- 0 0 93 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.739 105.9-153.2 -69.7 -25.0 -40.6 28.7 2.5 59 95 C G < + 0 0 20 -4,-1.3 -1,-0.1 -5,-0.3 -2,-0.1 0.077 58.6 112.2 80.4 172.9 -43.7 28.3 4.7 60 96 C G S S+ 0 0 22 2,-0.2 -4,-0.1 -4,-0.1 -1,-0.1 0.006 76.8 72.0 112.9 -24.6 -45.3 25.5 6.7 61 97 C L S > S+ 0 0 0 -6,-0.5 3,-1.4 2,-0.1 62,-0.4 0.845 71.9 97.5 -84.6 -36.4 -44.6 26.8 10.1 62 98 C E T 3 S- 0 0 87 -7,-0.3 62,-0.2 1,-0.3 -2,-0.2 -0.345 107.2 -12.7 -64.9 115.9 -47.1 29.7 10.0 63 99 C G T 3 S+ 0 0 22 60,-3.5 -1,-0.3 -2,-0.3 61,-0.1 0.518 93.3 142.4 71.0 3.8 -50.4 28.8 11.7 64 100 C L < - 0 0 13 -3,-1.4 59,-1.6 59,-0.2 2,-0.5 -0.413 62.5-102.1 -58.2 156.3 -49.4 25.1 11.8 65 101 C I B -U 122 0G 72 57,-0.2 2,-0.5 -3,-0.1 57,-0.2 -0.774 33.6-124.6 -99.7 129.9 -50.8 23.8 15.1 66 102 C H + 0 0 36 55,-1.6 55,-0.5 -2,-0.5 2,-0.3 -0.618 38.9 156.6 -83.6 117.6 -48.3 23.3 17.9 67 103 C S >> - 0 0 42 -2,-0.5 4,-2.7 53,-0.1 3,-0.7 -0.967 50.7-118.9-122.9 149.1 -47.9 20.0 19.5 68 104 C Q H 3> S+ 0 0 60 -2,-0.3 4,-2.5 1,-0.3 5,-0.1 0.822 115.3 61.4 -54.6 -29.0 -44.7 19.1 21.3 69 105 C R H 3> S+ 0 0 185 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.936 108.5 40.7 -64.0 -42.7 -44.4 16.2 18.9 70 106 C R H X> S+ 0 0 28 -3,-0.7 4,-1.5 2,-0.2 3,-0.6 0.933 112.4 55.4 -71.0 -45.1 -44.2 18.6 16.0 71 107 C Q H >X S+ 0 0 8 -4,-2.7 4,-1.9 1,-0.2 3,-0.9 0.958 105.3 53.9 -47.4 -54.8 -41.9 21.0 17.9 72 108 C D H 3X S+ 0 0 69 -4,-2.5 4,-2.6 1,-0.3 5,-0.3 0.754 100.5 57.5 -56.7 -34.6 -39.5 18.1 18.5 73 109 C I H S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 6,-0.7 0.907 114.3 53.7 -68.1 -42.2 -31.7 21.7 13.5 79 115 C Y H X5S+ 0 0 36 -4,-3.2 4,-0.7 4,-0.3 -1,-0.2 0.925 115.4 39.5 -53.5 -46.9 -29.6 19.7 16.0 80 116 C H H <5S+ 0 0 133 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.920 126.6 31.9 -78.4 -40.4 -28.6 17.2 13.3 81 117 C T H <5S+ 0 0 73 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.903 136.3 20.7 -84.5 -41.2 -28.1 19.5 10.4 82 118 C Q H <5S- 0 0 59 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.2 0.340 97.4-124.2-110.5 -2.7 -26.8 22.7 12.1 83 119 C G << + 0 0 6 -4,-0.7 -42,-1.7 -5,-0.6 2,-0.6 0.813 54.4 147.3 66.3 34.9 -25.6 21.3 15.4 84 120 C Y B -t 41 0F 20 -6,-0.7 -1,-0.2 -44,-0.2 4,-0.1 -0.912 54.0-113.3-105.1 119.2 -27.7 23.4 17.9 85 121 C F > - 0 0 1 -44,-1.6 2,-1.3 -2,-0.6 3,-0.7 -0.078 29.2-118.6 -42.7 135.2 -28.7 21.7 21.1 86 122 C P T 3 S+ 0 0 14 0, 0.0 566,-0.3 0, 0.0 -1,-0.2 -0.199 90.8 93.3 -83.9 52.8 -32.4 21.3 21.2 87 123 C D T > + 0 0 3 -2,-1.3 3,-0.5 564,-0.1 564,-0.1 0.340 65.8 79.5-107.1 1.6 -33.1 23.4 24.3 88 124 C W T < S+ 0 0 1 -3,-0.7 14,-0.4 1,-0.2 13,-0.3 0.670 71.9 71.3 -89.7 -18.7 -33.8 26.7 22.6 89 125 C Q T 3 + 0 0 1 12,-0.1 -1,-0.2 11,-0.1 2,-0.1 0.098 67.9 130.6 -93.3 27.9 -37.3 26.4 21.3 90 126 C N < - 0 0 7 -3,-0.5 11,-2.3 10,-0.0 12,-0.5 -0.468 41.9-151.5 -72.4 148.3 -38.9 26.7 24.7 91 127 C Y B -X 100 0H 30 9,-0.2 7,-0.1 556,-0.2 17,-0.0 -0.887 22.4 -95.2-119.8 158.0 -41.8 29.2 25.3 92 128 C T - 0 0 6 7,-2.5 -1,-0.0 -2,-0.3 2,-0.0 -0.292 55.4 -97.0 -64.1 151.0 -43.2 31.2 28.2 93 129 C P - 0 0 70 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.274 52.2 -73.7 -84.3 159.3 -46.1 29.5 30.0 94 130 C G S S+ 0 0 37 2,-0.1 2,-0.1 4,-0.1 3,-0.1 -0.050 79.4 75.9 -85.0-173.3 -49.8 30.0 29.6 95 131 C P S S+ 0 0 120 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.558 104.4 24.7 -77.4 154.9 -52.4 30.9 29.6 96 132 C G S S- 0 0 31 -2,-0.1 2,-0.4 13,-0.0 -2,-0.1 -0.961 111.0 -19.9 139.8-156.6 -51.9 33.4 26.9 97 133 C V - 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