==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 17-AUG-11 3TGS . COMPND 2 MOLECULE: HIV-1 CLADE C1086 GP120 CORE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR Y.D.KWON,P.D.KWONG . 690 6 14 12 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31608.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 447 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 179 25.9 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 . 1 0.1 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 . 96 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 2 0 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 . 7 3 17 4 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 2 3 1 0 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 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 0 118 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 78.9 17.2 -12.6 23.5 2 45 A W + 0 0 120 342,-0.0 2,-0.3 2,-0.0 344,-0.1 -0.986 360.0 143.7-142.6 150.7 13.6 -11.4 23.9 3 46 A K - 0 0 98 -2,-0.3 342,-0.7 342,-0.3 2,-0.5 -0.903 46.9 -77.7-164.6-167.4 11.7 -8.2 23.4 4 47 A E B +A 344 0A 135 -2,-0.3 2,-0.3 340,-0.2 340,-0.2 -0.935 52.7 148.9-118.2 116.2 8.4 -6.6 22.2 5 48 A A - 0 0 30 338,-0.9 2,-0.6 -2,-0.5 338,-0.1 -0.925 42.3-113.9-141.4 164.3 7.5 -6.3 18.5 6 49 A K + 0 0 177 -2,-0.3 2,-0.3 50,-0.0 338,-0.0 -0.897 38.3 163.4-106.3 121.6 4.6 -6.2 16.1 7 50 A T - 0 0 21 -2,-0.6 2,-0.7 97,-0.0 336,-0.1 -0.985 43.8-104.8-135.9 146.9 4.2 -9.1 13.6 8 51 A T - 0 0 115 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.591 44.2-160.4 -73.3 111.9 1.2 -10.3 11.5 9 52 A L - 0 0 15 -2,-0.7 2,-0.3 94,-0.1 94,-0.2 -0.070 4.0-143.7 -81.6-175.3 -0.1 -13.4 13.2 10 53 A F E -D 102 0B 73 92,-1.8 92,-3.2 90,-0.0 2,-0.3 -0.972 12.7-118.5-148.2 159.4 -2.2 -16.2 11.8 11 54 A a E -D 101 0B 2 19,-0.5 21,-2.7 -2,-0.3 2,-0.4 -0.789 15.8-167.1-106.7 145.3 -5.0 -18.5 13.1 12 55 A A E +De 100 32B 3 88,-2.0 88,-1.1 -2,-0.3 2,-0.3 -0.972 16.1 178.2-131.2 117.6 -5.1 -22.3 13.4 13 56 A S E - e 0 33B 4 19,-1.7 21,-1.0 -2,-0.4 2,-0.4 -0.798 40.3-130.3-119.5 157.7 -8.4 -24.0 14.1 14 57 A D + 0 0 78 84,-0.5 2,-0.2 -2,-0.3 10,-0.0 -0.349 61.4 151.3 -93.5 48.8 -9.7 -27.6 14.5 15 58 A A - 0 0 21 -2,-0.4 2,-0.4 17,-0.2 19,-0.1 -0.521 42.9-129.1 -88.6 150.9 -12.4 -26.7 12.0 16 59 A K - 0 0 72 -2,-0.2 3,-0.3 1,-0.1 12,-0.2 -0.793 1.4-151.9-100.5 140.8 -14.1 -29.1 9.6 17 60 A A S S+ 0 0 55 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.722 97.8 55.1 -81.1 -22.8 -14.4 -28.4 5.9 18 61 A Y S S+ 0 0 62 2,-0.0 2,-0.3 464,-0.0 -1,-0.2 0.557 86.2 102.6 -86.2 -10.6 -17.7 -30.4 5.6 19 62 A E - 0 0 62 -3,-0.3 -4,-0.0 1,-0.1 0, 0.0 -0.570 59.3-157.8 -76.4 135.4 -19.3 -28.4 8.3 20 63 A K + 0 0 109 -2,-0.3 73,-0.3 4,-0.1 -1,-0.1 0.492 55.7 117.8 -93.0 -4.1 -21.7 -25.8 7.1 21 64 A E S >> S- 0 0 37 1,-0.1 4,-2.7 71,-0.1 3,-0.6 -0.400 72.3-127.1 -61.3 140.1 -21.4 -23.6 10.2 22 65 A V H 3> S+ 0 0 11 71,-2.6 4,-2.5 1,-0.3 5,-0.3 0.769 107.3 59.4 -65.8 -28.4 -20.0 -20.2 9.3 23 66 A H H 3> S+ 0 0 5 70,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.890 112.0 40.5 -66.3 -37.8 -17.3 -20.5 11.9 24 67 A N H <> S+ 0 0 8 -3,-0.6 4,-2.3 2,-0.2 5,-0.4 0.905 112.6 54.2 -74.6 -44.4 -16.0 -23.6 10.2 25 68 A V H X S+ 0 0 74 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.916 118.3 36.8 -53.9 -45.4 -16.6 -22.2 6.7 26 69 A W H X S+ 0 0 5 -4,-2.5 4,-3.9 -5,-0.2 3,-0.4 0.957 118.7 50.0 -71.7 -52.9 -14.5 -19.1 7.7 27 70 A A H X S+ 0 0 0 -4,-2.7 4,-3.3 -5,-0.3 -3,-0.2 0.961 106.8 50.6 -49.3 -68.8 -12.0 -21.1 9.8 28 71 A T H < S+ 0 0 58 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.1 0.762 122.4 35.6 -47.5 -29.7 -11.0 -23.9 7.4 29 72 A H H < S+ 0 0 108 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.890 126.5 35.1 -90.4 -45.5 -10.4 -21.2 4.8 30 73 A A H < S+ 0 0 41 -4,-3.9 -19,-0.5 -5,-0.2 2,-0.3 0.538 118.9 57.1 -85.8 -6.8 -8.9 -18.3 6.8 31 74 A a S < S- 0 0 12 -4,-3.3 -19,-0.3 -5,-0.3 3,-0.0 -0.810 75.1-120.5-129.0 163.5 -7.1 -20.7 9.2 32 75 A V E -e 12 0B 71 -21,-2.7 -19,-1.7 -2,-0.3 -17,-0.2 -0.716 42.5 -95.2 -98.2 147.8 -4.6 -23.5 9.4 33 76 A P E -e 13 0B 106 0, 0.0 -19,-0.2 0, 0.0 -1,-0.1 -0.364 57.7 -90.4 -55.8 144.3 -5.3 -26.9 10.8 34 77 A T - 0 0 25 -21,-1.0 3,-0.1 2,-0.1 -21,-0.1 0.007 28.1-123.7 -54.2 167.1 -4.3 -27.1 14.5 35 78 A D - 0 0 72 1,-0.3 -1,-0.1 -23,-0.1 -22,-0.0 0.871 33.8-153.2 -49.5 -52.3 -0.7 -28.2 15.3 36 79 A P + 0 0 59 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.943 64.8 24.7 -95.3 13.2 -2.3 -30.2 16.9 37 80 A N + 0 0 59 -3,-0.1 2,-0.1 612,-0.0 -3,-0.0 -0.676 63.1 154.2-144.4 86.5 0.4 -30.8 19.5 38 81 A P - 0 0 52 0, 0.0 2,-0.4 0, 0.0 91,-0.1 -0.264 35.6-121.7 -88.2-173.2 3.1 -28.2 20.3 39 82 A Q - 0 0 138 -2,-0.1 2,-0.5 89,-0.1 91,-0.1 -0.999 13.4-115.6-140.0 141.4 4.9 -27.9 23.6 40 83 A E - 0 0 96 -2,-0.4 2,-1.6 89,-0.1 89,-0.2 -0.608 18.6-148.3 -75.8 121.0 5.4 -25.2 26.2 41 84 A M - 0 0 114 87,-2.8 -1,-0.1 -2,-0.5 88,-0.1 -0.584 26.5-154.2 -87.6 73.9 9.0 -24.2 26.6 42 85 A V - 0 0 98 -2,-1.6 2,-0.4 85,-0.2 85,-0.3 -0.116 9.2-159.5 -56.8 144.5 8.7 -23.4 30.3 43 86 A L B -F 126 0C 43 83,-2.4 83,-1.1 3,-0.1 2,-0.2 -0.989 10.4-172.8-135.0 129.9 11.1 -20.8 31.7 44 87 A A S S+ 0 0 81 -2,-0.4 3,-0.1 1,-0.1 81,-0.1 -0.628 71.0 37.4-109.3 173.3 12.3 -20.1 35.2 45 88 A N S S+ 0 0 173 -2,-0.2 2,-0.4 79,-0.2 -1,-0.1 0.551 97.4 111.9 63.1 6.1 14.5 -17.3 36.6 46 89 A V + 0 0 41 78,-0.4 2,-0.4 -3,-0.2 80,-0.3 -0.926 42.6 179.5-119.8 135.8 12.6 -15.1 34.1 47 90 A T - 0 0 69 -2,-0.4 2,-0.3 78,-0.1 77,-0.3 -0.998 7.2-177.0-132.8 130.1 10.2 -12.3 34.6 48 91 A E - 0 0 51 75,-1.5 2,-0.7 -2,-0.4 75,-0.3 -0.898 27.1-116.6-126.8 157.3 8.5 -10.2 31.9 49 92 A N - 0 0 90 -2,-0.3 2,-0.2 73,-0.2 -2,-0.0 -0.824 32.1-169.4 -99.2 113.2 6.1 -7.2 31.8 50 93 A F E -G 121 0D 6 71,-2.7 71,-2.8 -2,-0.7 2,-0.2 -0.635 13.0-172.7 -98.1 155.2 2.7 -7.9 30.3 51 94 A N E > -G 120 0D 63 290,-0.2 3,-1.0 -2,-0.2 69,-0.2 -0.681 8.1-177.6-148.7 92.4 -0.1 -5.5 29.4 52 95 A M T 3 S+ 0 0 1 67,-3.4 3,-0.4 1,-0.2 68,-0.1 0.625 86.5 59.6 -61.9 -12.3 -3.4 -7.0 28.3 53 96 A W T 3 S+ 0 0 9 66,-0.3 -1,-0.2 1,-0.2 2,-0.2 0.750 108.9 37.4 -93.5 -27.6 -4.6 -3.4 27.7 54 97 A K S < S+ 0 0 153 -3,-1.0 2,-0.4 4,-0.0 -1,-0.2 -0.548 86.7 131.8-120.6 66.0 -2.0 -2.4 25.1 55 98 A N >> - 0 0 14 -3,-0.4 3,-0.6 -2,-0.2 4,-0.6 -0.971 48.4-154.3-123.5 129.1 -1.6 -5.6 23.1 56 99 A D H >> S+ 0 0 47 -2,-0.4 4,-2.5 1,-0.2 3,-0.9 0.832 90.1 72.7 -68.4 -33.8 -1.8 -5.9 19.3 57 100 A M H 3> S+ 0 0 3 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.841 94.7 54.3 -50.0 -37.3 -2.9 -9.5 19.5 58 101 A V H <> S+ 0 0 1 -3,-0.6 4,-2.3 2,-0.2 -1,-0.3 0.844 108.4 47.6 -69.0 -35.1 -6.3 -8.3 20.6 59 102 A E H - 0 0 30 0, 0.0 3,-1.7 0, 0.0 2,-0.2 -0.004 52.2 -69.7 -59.6 171.9 5.0 -16.6 12.3 105 221 A A T 3 S+ 0 0 98 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.510 126.0 27.9 -68.0 131.8 8.4 -18.2 11.8 106 222 A G T 3 S+ 0 0 49 1,-0.4 240,-1.1 -2,-0.2 241,-0.3 0.236 112.0 83.9 98.4 -11.7 11.1 -16.3 13.7 107 223 A F E < -B 345 0A 43 -3,-1.7 -1,-0.4 238,-0.2 2,-0.3 -0.833 55.4-174.6-120.0 160.2 8.5 -15.1 16.2 108 224 A A E -B 344 0A 8 236,-2.3 236,-1.8 -2,-0.3 2,-0.4 -0.850 21.5-112.8-143.0 178.3 7.1 -16.7 19.4 109 225 A I E -BC 343 129A 0 20,-1.1 20,-1.6 -2,-0.3 2,-0.4 -0.969 17.3-142.3-123.1 134.5 4.5 -16.2 22.1 110 226 A L E -BC 342 128A 3 232,-2.9 232,-0.9 -2,-0.4 2,-0.5 -0.780 15.3-162.4 -92.4 137.8 5.0 -15.6 25.8 111 227 A K E -B 341 0A 27 16,-1.1 2,-0.5 -2,-0.4 16,-0.4 -0.952 13.7-138.6-127.7 112.9 2.6 -17.2 28.3 112 228 A d - 0 0 0 228,-2.1 14,-0.2 -2,-0.5 5,-0.1 -0.554 13.4-170.1 -71.6 119.1 2.3 -16.1 31.9 113 229 A N + 0 0 28 12,-2.6 2,-0.7 -2,-0.5 13,-0.2 0.301 48.6 117.7 -95.7 8.6 2.0 -19.1 34.1 114 230 A N > - 0 0 60 11,-0.6 3,-1.8 1,-0.1 2,-0.4 -0.694 57.5-152.2 -75.2 112.9 1.1 -17.1 37.2 115 231 A K T 3 S+ 0 0 97 -2,-0.7 37,-0.6 1,-0.3 38,-0.4 0.042 93.7 44.8 -78.1 30.3 -2.4 -18.3 38.1 116 232 A T T 3 S+ 0 0 63 -2,-0.4 -1,-0.3 36,-0.1 2,-0.2 0.224 75.4 140.6-151.3 6.6 -3.2 -14.9 39.6 117 233 A F < - 0 0 10 -3,-1.8 4,-0.1 1,-0.2 6,-0.1 -0.415 42.6-152.6 -64.9 123.1 -1.8 -12.5 37.0 118 234 A N - 0 0 70 -2,-0.2 -1,-0.2 2,-0.2 40,-0.1 0.483 46.1-105.9 -76.6 -2.3 -4.1 -9.5 36.7 119 235 A G S S+ 0 0 0 38,-0.1 -67,-3.4 220,-0.1 2,-0.3 0.525 96.0 78.7 91.8 7.4 -3.0 -9.1 33.1 120 236 A T E S+G 51 0D 52 -69,-0.2 -69,-0.2 -68,-0.1 -2,-0.2 -0.898 78.9 18.6-152.6 118.0 -0.8 -6.1 33.7 121 237 A G E S-G 50 0D 18 -71,-2.8 -71,-2.7 -2,-0.3 -73,-0.1 -0.734 93.9 -19.0 122.1-172.1 2.7 -5.9 35.2 122 238 A P - 0 0 83 0, 0.0 -73,-0.2 0, 0.0 2,-0.2 -0.091 46.8-165.9 -64.8 166.6 5.7 -8.2 35.8 123 239 A d - 0 0 5 -75,-0.3 -75,-1.5 -6,-0.1 -10,-0.1 -0.705 12.7-167.9-160.9 102.7 5.4 -12.0 35.9 124 240 A R S S+ 0 0 213 -77,-0.3 2,-0.6 -2,-0.2 -78,-0.4 0.481 78.3 70.1 -73.7 -2.3 8.2 -14.2 37.3 125 241 A N + 0 0 73 -77,-0.1 -12,-2.6 -80,-0.1 -11,-0.6 -0.908 67.3 154.8-122.3 102.6 6.7 -17.3 35.8 126 242 A V B +F 43 0C 2 -83,-1.1 -83,-2.4 -2,-0.6 2,-0.2 -0.757 15.6 172.7-126.8 168.3 6.8 -17.5 32.0 127 243 A S - 0 0 0 -16,-0.4 -16,-1.1 -85,-0.3 2,-0.3 -0.836 23.7-117.0-154.8-169.1 6.8 -20.0 29.1 128 244 A T E +C 110 0A 6 -2,-0.2 -87,-2.8 -18,-0.2 2,-0.3 -0.969 26.9 164.1-150.6 130.4 6.7 -20.2 25.3 129 245 A V E -C 109 0A 12 -20,-1.6 -20,-1.1 -2,-0.3 -89,-0.1 -0.978 34.7-138.8-141.5 154.1 4.3 -21.6 22.7 130 246 A Q S S+ 0 0 66 -2,-0.3 -27,-2.0 -22,-0.2 2,-0.2 0.891 92.3 29.8 -78.4 -41.7 3.7 -21.2 19.0 131 247 A c S S- 0 0 9 -29,-0.2 -29,-0.2 1,-0.1 2,-0.1 -0.601 79.7-126.1-109.6 173.1 -0.0 -21.2 19.3 132 248 A T - 0 0 11 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.276 40.7 -75.1-101.0-167.7 -2.4 -20.0 22.0 133 249 A H - 0 0 50 204,-0.2 -32,-0.3 1,-0.1 -34,-0.2 -0.624 64.6 -78.3 -88.9 154.2 -5.2 -21.9 23.7 134 250 A G - 0 0 28 -2,-0.2 2,-0.5 -36,-0.2 -34,-0.2 -0.252 50.6-163.9 -53.5 131.0 -8.5 -22.5 22.0 135 251 A I - 0 0 3 -36,-0.4 -36,-0.6 -38,-0.1 -38,-0.2 -0.905 16.0-148.6-128.9 105.2 -10.6 -19.3 22.0 136 252 A K - 0 0 78 -2,-0.5 2,-2.2 10,-0.4 9,-0.1 -0.603 23.0-137.5 -65.8 109.6 -14.4 -19.3 21.2 137 253 A P + 0 0 1 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.475 35.7 177.5 -72.1 78.1 -14.7 -15.8 19.6 138 254 A V - 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