==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/IMMUNE SYSTEM 15-APR-11 3RJQ . COMPND 2 MOLECULE: C186 GP120; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1; . AUTHOR L.CHEN,J.S.MCLELLAN,Y.D.KWON,S.SCHMIDT,X.WU,T.ZHOU,Y.YANG,B. . 419 7 7 4 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19629.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 259 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 128 30.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 39 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 1 1 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 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 . 5 6 6 4 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 2 3 1 1 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 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 45 A W 0 0 154 0, 0.0 2,-0.4 0, 0.0 296,-0.3 0.000 360.0 360.0 360.0 51.7 7.5 14.9 -52.3 2 46 A K E -A 296 0A 132 294,-3.1 294,-2.9 0, 0.0 0, 0.0 -0.998 360.0-102.2-132.6 128.7 8.8 12.2 -50.1 3 47 A E E +A 295 0A 126 -2,-0.4 292,-0.3 292,-0.3 2,-0.3 -0.204 58.7 143.5 -56.3 132.4 8.3 12.1 -46.3 4 48 A A - 0 0 26 290,-1.9 2,-0.4 2,-0.0 290,-0.2 -0.874 44.8-104.3-153.7-177.3 11.4 13.2 -44.4 5 49 A K + 0 0 160 -2,-0.3 2,-0.3 50,-0.1 290,-0.0 -0.967 40.1 152.6-124.1 140.1 12.6 15.0 -41.3 6 50 A T - 0 0 31 -2,-0.4 2,-0.9 289,-0.0 -2,-0.0 -0.985 50.9 -83.7-162.0 158.3 14.1 18.5 -41.1 7 51 A T - 0 0 113 -2,-0.3 49,-0.0 79,-0.0 -2,-0.0 -0.555 47.9-157.6 -75.8 104.3 14.5 21.5 -38.8 8 52 A L - 0 0 21 -2,-0.9 2,-0.3 78,-0.1 78,-0.2 -0.140 1.4-143.6 -70.7 171.1 11.4 23.6 -39.1 9 53 A F E -E 85 0B 90 76,-1.7 76,-3.1 22,-0.0 2,-0.3 -0.927 11.0-125.7-134.1 161.8 11.1 27.3 -38.2 10 54 A a E -E 84 0B 5 19,-0.4 21,-1.8 -2,-0.3 2,-0.3 -0.848 12.7-159.4-114.9 146.0 8.4 29.4 -36.7 11 55 A A E -Ef 83 31B 4 72,-2.1 72,-2.1 -2,-0.3 2,-0.3 -0.909 15.2-177.6-119.3 150.9 6.6 32.5 -37.8 12 56 A S E - f 0 32B 9 19,-1.3 21,-0.6 -2,-0.3 70,-0.1 -0.970 42.1-131.2-147.2 157.0 4.6 34.9 -35.6 13 57 A D + 0 0 100 68,-0.5 69,-0.1 -2,-0.3 10,-0.1 0.152 61.4 156.6 -88.0 16.7 2.5 38.1 -35.5 14 58 A A - 0 0 25 17,-0.1 2,-0.5 1,-0.1 -2,-0.1 0.031 37.1-143.2 -46.2 146.4 4.9 39.1 -32.7 15 59 A K - 0 0 98 1,-0.2 12,-0.2 3,-0.1 -1,-0.1 -0.979 6.9-141.6-117.8 126.6 5.4 42.8 -32.0 16 60 A A S S+ 0 0 81 -2,-0.5 -1,-0.2 1,-0.2 12,-0.1 0.917 98.0 44.4 -51.0 -56.7 8.9 43.9 -31.0 17 61 A Y S S+ 0 0 172 2,-0.1 -1,-0.2 7,-0.0 7,-0.1 0.874 85.2 104.9 -60.3 -43.1 7.9 46.5 -28.4 18 62 A E - 0 0 63 1,-0.2 -3,-0.1 5,-0.1 58,-0.0 -0.149 57.8-157.5 -46.4 121.4 5.3 44.3 -26.6 19 63 A K + 0 0 173 4,-0.1 57,-0.3 5,-0.1 -1,-0.2 0.471 51.3 128.8 -84.3 -2.1 6.8 43.1 -23.4 20 64 A E > - 0 0 18 1,-0.1 4,-2.1 55,-0.1 3,-0.3 -0.370 69.9-124.7 -51.0 124.7 4.3 40.2 -23.4 21 65 A V H > S+ 0 0 28 55,-1.3 4,-2.5 1,-0.3 5,-0.3 0.818 107.7 51.8 -51.6 -40.5 6.7 37.2 -22.8 22 66 A H H > S+ 0 0 4 1,-0.2 4,-3.7 2,-0.2 -1,-0.3 0.953 110.7 48.0 -61.7 -49.2 5.5 35.4 -25.9 23 67 A N H > S+ 0 0 9 -3,-0.3 4,-2.1 1,-0.2 5,-0.2 0.844 111.6 52.3 -58.2 -34.9 6.1 38.5 -28.1 24 68 A V H X S+ 0 0 82 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.926 117.8 34.6 -68.8 -46.8 9.5 38.9 -26.6 25 69 A W H X S+ 0 0 28 -4,-2.5 4,-2.6 -5,-0.2 5,-0.3 0.892 118.6 54.6 -73.0 -40.5 10.6 35.3 -27.2 26 70 A A H X S+ 0 0 1 -4,-3.7 4,-3.1 -5,-0.3 -3,-0.2 0.963 103.7 51.0 -59.6 -59.8 8.7 35.2 -30.5 27 71 A T H < S+ 0 0 51 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.877 116.3 44.3 -45.1 -44.8 10.2 38.2 -32.2 28 72 A H H < S+ 0 0 164 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.938 124.6 29.9 -69.1 -49.7 13.7 36.9 -31.4 29 73 A A H < S+ 0 0 55 -4,-2.6 -19,-0.4 -5,-0.1 2,-0.2 0.553 117.7 62.7 -90.4 -8.7 13.2 33.3 -32.4 30 74 A a < - 0 0 11 -4,-3.1 -19,-0.2 -5,-0.3 3,-0.0 -0.741 64.9-140.5-121.3 164.1 10.6 33.8 -35.1 31 75 A V E -f 11 0B 86 -21,-1.8 -19,-1.3 -2,-0.2 -17,-0.1 -0.888 42.9 -81.1-119.0 150.0 10.2 35.5 -38.5 32 76 A P E -f 12 0B 106 0, 0.0 -19,-0.2 0, 0.0 2,-0.1 -0.124 50.3-111.1 -42.6 140.8 7.2 37.4 -39.8 33 77 A T - 0 0 44 -21,-0.6 -23,-0.0 1,-0.1 -21,-0.0 -0.480 36.6-101.4 -72.5 150.8 4.4 35.2 -41.2 34 78 A D - 0 0 103 1,-0.1 -1,-0.1 -2,-0.1 80,-0.1 -0.677 28.4-148.9 -77.9 121.7 4.0 35.4 -45.0 35 79 A P S S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.851 83.2 46.6 -56.0 -59.5 0.9 37.7 -45.7 36 80 A N S S- 0 0 145 2,-0.0 2,-0.4 0, 0.0 -2,-0.0 -0.697 82.9-167.7 -96.8 79.2 -0.4 36.0 -49.0 37 81 A P - 0 0 85 0, 0.0 2,-0.1 0, 0.0 75,-0.0 -0.966 8.0-148.0-106.7 149.1 -0.5 32.2 -48.6 38 82 A Q - 0 0 58 -2,-0.4 2,-0.4 73,-0.1 75,-0.3 -0.533 13.0-171.7 140.0 61.8 -0.9 30.0 -50.6 39 83 A E - 0 0 100 73,-0.1 2,-0.3 -2,-0.1 73,-0.2 -0.917 9.9-156.5-112.9 135.9 -2.3 26.4 -50.8 40 84 A M E -B 111 0A 101 71,-2.3 71,-2.0 -2,-0.4 2,-0.4 -0.696 22.6-145.6 -93.7 160.1 -2.1 23.8 -53.5 41 85 A V E -B 110 0A 105 -2,-0.3 2,-0.3 69,-0.2 69,-0.2 -0.991 17.0-177.1-136.2 139.6 -4.9 21.3 -53.5 42 86 A L - 0 0 56 67,-2.2 2,-0.3 -2,-0.4 69,-0.0 -0.904 2.3-178.2-128.7 159.1 -5.2 17.6 -54.3 43 87 A A S S+ 0 0 60 -2,-0.3 65,-0.2 65,-0.2 3,-0.1 -0.968 70.5 32.1-150.9 162.2 -7.9 14.9 -54.5 44 88 A N S S+ 0 0 147 63,-1.0 2,-0.4 -2,-0.3 64,-0.2 0.407 93.5 120.7 65.5 -4.3 -8.0 11.2 -55.3 45 89 A V - 0 0 39 62,-0.3 2,-0.4 64,-0.1 -1,-0.3 -0.769 48.6-163.6 -91.5 133.8 -4.6 11.4 -53.7 46 90 A T + 0 0 76 -2,-0.4 2,-0.3 61,-0.1 61,-0.2 -0.975 9.9 176.6-124.1 128.9 -4.1 9.2 -50.7 47 91 A E E -H 106 0C 55 59,-1.6 59,-1.9 -2,-0.4 2,-0.7 -0.965 31.8-115.0-131.4 150.0 -1.2 9.4 -48.1 48 92 A N E -H 105 0C 106 -2,-0.3 2,-0.2 57,-0.2 -2,-0.0 -0.728 37.4-178.4 -85.7 112.0 -0.3 7.7 -44.9 49 93 A F E -H 104 0C 10 55,-3.3 55,-1.8 -2,-0.7 2,-0.1 -0.579 12.9-172.7-100.3 167.9 -0.4 10.0 -41.9 50 94 A N E > -H 103 0C 57 53,-0.2 3,-1.4 -2,-0.2 53,-0.2 -0.517 12.5-175.2-164.0 94.2 0.3 9.3 -38.2 51 95 A M T 3 S+ 0 0 1 51,-2.4 3,-0.4 1,-0.3 52,-0.1 0.638 89.3 58.9 -61.9 -14.1 -0.3 11.9 -35.5 52 96 A W T 3 S+ 0 0 11 1,-0.3 -1,-0.3 50,-0.2 2,-0.2 0.597 110.9 37.3 -97.5 -14.3 1.3 9.5 -33.0 53 97 A K S < S+ 0 0 144 -3,-1.4 2,-0.5 4,-0.0 -1,-0.3 -0.647 83.7 136.6-132.2 75.6 4.7 9.3 -34.8 54 98 A N >> - 0 0 26 -3,-0.4 3,-1.1 -2,-0.2 4,-0.8 -0.947 42.4-159.5-131.7 109.7 5.1 12.9 -36.0 55 99 A D H 3> S+ 0 0 55 -2,-0.5 4,-1.6 1,-0.3 -1,-0.1 0.783 89.1 70.1 -60.3 -28.9 8.4 14.8 -35.7 56 100 A M H 3> S+ 0 0 9 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.902 93.9 56.7 -55.1 -43.1 6.7 18.2 -36.0 57 101 A V H <> S+ 0 0 3 -3,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.929 104.6 51.9 -54.6 -48.8 5.1 17.7 -32.6 58 102 A E H X S+ 0 0 43 -4,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.853 107.9 51.9 -57.9 -38.0 8.6 17.2 -31.0 59 103 A Q H X S+ 0 0 30 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.951 109.8 47.0 -67.1 -49.5 9.9 20.5 -32.6 60 104 A M H X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.905 110.8 54.6 -56.0 -43.8 7.0 22.6 -31.3 61 105 A H H X S+ 0 0 5 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.945 105.9 50.5 -55.1 -52.7 7.4 21.0 -27.9 62 106 A E H X S+ 0 0 88 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.840 110.4 50.7 -57.1 -36.2 11.1 21.9 -27.6 63 107 A D H X S+ 0 0 50 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.900 109.6 48.8 -70.5 -41.7 10.4 25.5 -28.5 64 108 A I H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.885 109.5 51.8 -68.2 -42.2 7.7 26.0 -25.9 65 109 A I H X S+ 0 0 13 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.990 113.1 45.1 -50.9 -60.7 9.8 24.5 -23.2 66 110 A S H X S+ 0 0 46 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.822 110.4 57.8 -54.9 -32.9 12.5 27.0 -24.2 67 111 A L H X S+ 0 0 2 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.964 111.2 38.8 -61.3 -55.4 9.8 29.6 -24.3 68 112 A W H X S+ 0 0 11 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.922 113.6 57.3 -61.6 -44.5 8.7 29.1 -20.7 69 113 A D H < S+ 0 0 30 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.927 110.9 41.1 -53.4 -53.2 12.3 28.6 -19.5 70 114 A E H < S+ 0 0 110 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.895 113.4 57.4 -60.4 -40.3 13.4 32.0 -20.9 71 115 A S H < S+ 0 0 30 -4,-2.0 2,-0.5 -5,-0.2 -2,-0.2 0.872 98.6 65.4 -59.9 -42.2 10.2 33.5 -19.6 72 116 A L < 0 0 83 -4,-2.4 256,-0.1 1,-0.2 -1,-0.1 -0.743 360.0 360.0 -96.1 126.1 10.7 32.5 -16.0 73 117 A K 0 0 244 -2,-0.5 -1,-0.2 0, 0.0 -2,-0.1 0.093 360.0 360.0-166.5 360.0 13.5 34.0 -13.9 74 ! 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 75 208 A V 0 0 194 0, 0.0 2,-0.3 0, 0.0 -55,-0.1 0.000 360.0 360.0 360.0 131.1 4.9 40.8 -15.8 76 209 A S + 0 0 51 -57,-0.3 -55,-1.3 -58,-0.0 2,-0.2 -0.997 360.0 166.1-137.7 140.8 3.0 40.0 -19.0 77 210 A F + 0 0 37 -2,-0.3 139,-0.5 -57,-0.2 -57,-0.1 -0.750 16.2 125.1-164.6 110.5 1.6 36.7 -20.3 78 211 A D - 0 0 90 -2,-0.2 -56,-0.1 138,-0.1 137,-0.1 -0.659 50.9-114.9-164.5 115.8 -0.8 35.5 -23.0 79 212 A P - 0 0 14 0, 0.0 40,-0.1 0, 0.0 42,-0.1 0.163 25.0-144.1 -46.9 156.4 0.0 33.0 -25.8 80 213 A I - 0 0 17 38,-0.2 2,-0.4 40,-0.0 38,-0.1 -0.900 28.8 -94.5-123.0 148.5 0.1 33.9 -29.5 81 214 A P - 0 0 46 0, 0.0 -68,-0.5 0, 0.0 2,-0.3 -0.547 48.8-158.0 -60.7 119.0 -1.0 31.9 -32.6 82 215 A L B -I 118 0D 7 36,-1.6 36,-2.6 -2,-0.4 2,-0.4 -0.793 6.8-154.5-103.1 146.4 2.3 30.3 -33.8 83 216 A H E -E 11 0B 37 -72,-2.1 -72,-2.1 -2,-0.3 2,-0.5 -0.926 2.2-153.0-118.6 144.7 3.0 29.0 -37.2 84 217 A Y E -E 10 0B 7 -2,-0.4 31,-0.9 -74,-0.2 2,-0.3 -0.969 17.8-167.0-122.2 122.7 5.5 26.3 -38.2 85 218 A b E -EG 9 114B 2 -76,-3.1 -76,-1.7 -2,-0.5 29,-0.3 -0.746 18.2-120.8-117.9 154.0 7.0 26.4 -41.7 86 219 A A - 0 0 4 27,-2.2 3,-0.1 -2,-0.3 6,-0.1 -0.756 31.5-115.5 -96.9 136.1 9.0 24.1 -44.0 87 220 A P > - 0 0 28 0, 0.0 3,-2.5 0, 0.0 2,-0.1 -0.107 48.7 -74.2 -62.0 159.9 12.5 25.0 -45.3 88 221 A A T 3 S+ 0 0 102 1,-0.3 3,-0.1 208,-0.1 208,-0.0 -0.395 127.1 37.9 -57.3 126.6 13.2 25.5 -49.0 89 222 A G T 3 S+ 0 0 45 1,-0.4 208,-3.0 -3,-0.1 2,-0.3 0.140 111.6 73.5 111.8 -15.3 13.2 22.0 -50.5 90 223 A F E < -C 296 0A 37 -3,-2.5 -1,-0.4 206,-0.3 2,-0.3 -0.837 54.7-171.9-129.5 163.7 10.4 20.9 -48.2 91 224 A A E -C 295 0A 9 204,-2.8 204,-2.2 -2,-0.3 2,-0.5 -0.920 23.8-115.7-147.0 171.2 6.7 21.3 -47.9 92 225 A I E -CD 294 112A 0 20,-2.9 20,-2.5 -2,-0.3 2,-0.4 -0.954 19.8-140.5-121.0 117.8 3.9 20.4 -45.5 93 226 A L E -CD 293 111A 1 200,-1.7 200,-1.0 -2,-0.5 2,-0.6 -0.594 14.4-159.6 -73.5 128.6 1.0 18.0 -46.4 94 227 A K E -CD 292 110A 44 16,-1.2 16,-1.3 -2,-0.4 2,-0.3 -0.885 10.4-143.1-115.3 100.6 -2.3 19.2 -45.0 95 228 A c E - 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