==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 19-MAR-13 4JPJ . COMPND 2 MOLECULE: GERMLINE-TARGETING HIV-1 GP120 ENGINEERED OUTER D . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.-P.JULIEN,J.JARDINE,W.R.SCHIEF,I.A.WILSON . 658 10 16 10 6 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31826.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 422 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 189 28.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 83 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 10.9 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+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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 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 8 17 2 6 0 4 0 0 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 . 0 4 4 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 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 1 A D 0 0 170 0, 0.0 108,-1.3 0, 0.0 109,-0.5 0.000 360.0 360.0 360.0 160.7 83.0 -21.8 66.2 2 2 A T E -A 108 0A 69 106,-0.2 2,-0.8 107,-0.2 106,-0.2 -0.997 360.0-123.6-148.0 135.1 83.8 -19.0 63.7 3 3 A I E -A 107 0A 2 104,-3.6 104,-1.5 -2,-0.3 2,-0.8 -0.765 26.7-156.8 -87.3 112.0 82.7 -17.9 60.2 4 4 A T E -A 106 0A 64 -2,-0.8 102,-0.2 102,-0.2 -2,-0.0 -0.798 9.9-172.6 -95.9 105.1 85.8 -17.8 58.0 5 5 A L E -A 105 0A 5 100,-2.1 100,-1.8 -2,-0.8 2,-0.1 -0.863 16.3-139.6 -99.4 116.4 85.2 -15.5 55.0 6 6 A P E -A 104 0A 71 0, 0.0 153,-2.8 0, 0.0 2,-0.3 -0.491 22.7-168.4 -74.4 146.4 87.9 -15.5 52.3 7 7 A a E -C 158 0B 17 96,-3.1 151,-0.2 151,-0.3 141,-0.0 -0.962 19.9-106.9-135.1 153.0 88.9 -12.1 50.7 8 8 A R E S+C 157 0B 191 149,-2.0 149,-2.1 -2,-0.3 2,-0.2 -0.988 99.5 20.4-124.5 125.1 91.0 -10.8 47.8 9 9 A P S S- 0 0 63 0, 0.0 148,-0.1 0, 0.0 94,-0.1 0.618 109.2 -91.1 -70.8-167.0 93.7 -9.5 48.4 10 10 A A - 0 0 51 -2,-0.2 -2,-0.1 92,-0.1 94,-0.1 -0.607 47.3-129.7 -76.1 103.8 94.7 -10.7 51.8 11 11 A P - 0 0 1 0, 0.0 90,-0.6 0, 0.0 92,-0.2 -0.291 18.4-122.2 -62.8 130.0 93.3 -8.1 54.2 12 12 A P > - 0 0 35 0, 0.0 3,-1.2 0, 0.0 89,-0.2 -0.170 24.3-110.5 -61.2 160.8 95.8 -6.7 56.8 13 13 A P G > S+ 0 0 83 0, 0.0 3,-1.4 0, 0.0 86,-0.4 0.877 114.2 65.7 -64.4 -36.2 95.0 -7.0 60.5 14 14 A H G 3 S+ 0 0 146 1,-0.3 138,-0.1 84,-0.1 86,-0.1 0.617 86.7 74.4 -62.7 -11.2 94.4 -3.2 60.9 15 15 A b G < + 0 0 5 -3,-1.2 2,-0.3 84,-0.2 -1,-0.3 0.099 66.6 125.9 -85.6 20.4 91.4 -3.7 58.6 16 16 A S < + 0 0 39 -3,-1.4 2,-0.2 83,-0.2 82,-0.2 -0.651 39.6 172.0 -74.3 137.0 89.5 -5.4 61.5 17 17 A S E -F 97 0C 17 80,-1.1 80,-2.6 -2,-0.3 2,-0.4 -0.732 35.8-109.0-133.4 178.5 86.2 -3.6 62.0 18 18 A N E -F 96 0C 57 78,-0.3 47,-3.2 -2,-0.2 2,-0.6 -0.958 27.9-133.4-106.5 137.2 82.9 -3.7 63.8 19 19 A I E +FG 95 64C 1 76,-3.3 76,-1.1 -2,-0.4 45,-0.2 -0.857 31.5 169.7 -83.6 122.5 79.8 -4.5 61.8 20 20 A T E - 0 0 4 43,-3.2 71,-1.8 -2,-0.6 2,-0.3 0.344 58.9 -28.9-117.1 2.0 77.3 -1.8 62.9 21 21 A G E -FG 90 63C 0 42,-0.6 42,-3.3 69,-0.3 -1,-0.3 -0.932 54.4-136.2 165.9 175.8 74.5 -2.4 60.3 22 22 A L E -FG 89 62C 8 67,-1.7 67,-1.3 40,-0.3 2,-0.5 -0.996 17.0-120.2-157.7 153.0 73.7 -3.6 56.7 23 23 A I E -F 88 0C 4 38,-1.8 18,-2.3 -2,-0.3 2,-0.3 -0.861 33.0-173.7 -97.6 123.9 71.6 -2.8 53.6 24 24 A L E -FH 87 40C 0 63,-2.4 63,-3.7 -2,-0.5 2,-0.4 -0.825 12.2-155.9-116.2 157.8 69.1 -5.4 52.6 25 25 A T E - H 0 39C 42 14,-2.0 14,-1.5 -2,-0.3 2,-0.4 -0.993 10.2-144.8-136.1 120.9 66.9 -5.7 49.5 26 26 A R E + H 0 38C 31 -2,-0.4 12,-0.2 59,-0.4 3,-0.1 -0.741 17.1 178.3 -82.8 130.2 63.6 -7.7 49.4 27 27 A D - 0 0 66 10,-0.9 2,-0.1 -2,-0.4 -1,-0.1 0.709 53.5-158.1 -82.8 -22.2 63.0 -9.4 46.0 28 28 A G - 0 0 1 9,-0.4 9,-3.7 1,-0.1 -1,-0.4 -0.837 18.6 -62.2-129.5 -43.1 60.8 -10.1 48.0 29 29 A G > + 0 0 17 7,-0.2 3,-1.4 -2,-0.1 4,-0.2 -0.219 62.9 179.3-163.4 63.4 58.4 -13.0 48.2 30 30 A V T 3 + 0 0 125 1,-0.3 -2,-0.0 2,-0.1 6,-0.0 0.614 65.4 9.1 -66.9 -38.2 56.7 -12.0 45.0 31 31 A S T 3 S- 0 0 111 0, 0.0 -1,-0.3 0, 0.0 0, 0.0 -0.186 118.9 -72.0-137.3 41.2 53.9 -14.5 44.2 32 32 A N < + 0 0 109 -3,-1.4 -2,-0.1 3,-0.2 4,-0.1 0.916 62.9 144.1 84.8 110.7 53.7 -16.5 47.4 33 33 A D S S- 0 0 124 2,-0.2 98,-0.2 -4,-0.2 3,-0.1 0.025 75.5-107.2-132.3 18.0 55.6 -19.1 49.4 34 34 A E S S+ 0 0 133 1,-0.2 97,-1.8 -5,-0.2 2,-0.2 0.782 90.9 110.0 53.4 31.5 54.5 -17.4 52.7 35 35 A T E - i 0 131C 8 95,-0.2 2,-0.4 -6,-0.1 -1,-0.2 -0.755 62.2-144.8-123.3 166.7 58.1 -16.3 52.8 36 36 A E E - i 0 132C 5 95,-3.2 97,-3.5 -2,-0.2 2,-0.4 -0.970 14.2-155.9-130.1 125.1 60.3 -13.2 52.4 37 37 A I E - i 0 133C 26 -9,-3.7 -10,-0.9 -2,-0.4 -9,-0.4 -0.836 12.4-172.2 -91.2 135.1 63.8 -13.5 50.9 38 38 A F E -Hi 26 134C 0 95,-3.2 97,-2.7 -2,-0.4 -12,-0.2 -0.983 2.8-175.7-125.3 144.0 66.3 -10.9 51.8 39 39 A R E -H 25 0C 36 -14,-1.5 -14,-2.0 -2,-0.4 97,-0.2 -0.955 33.1-101.6-132.7 151.7 69.8 -10.4 50.3 40 40 A P E -H 24 0C 2 0, 0.0 -16,-0.2 0, 0.0 2,-0.2 -0.498 45.8-114.2 -70.9 144.2 72.7 -8.0 51.1 41 41 A S - 0 0 16 -18,-2.3 20,-0.3 20,-0.3 -18,-0.2 -0.479 17.9-161.8 -82.7 148.5 72.8 -5.1 48.7 42 42 A G + 0 0 10 -2,-0.2 -1,-0.1 18,-0.1 3,-0.1 0.360 61.6 107.0-101.3 2.0 75.7 -4.4 46.2 43 43 A G S S- 0 0 25 1,-0.2 18,-0.4 101,-0.1 -20,-0.1 -0.343 87.6 -78.1 -82.6 160.0 74.7 -0.8 45.8 44 44 A D > - 0 0 120 1,-0.2 3,-1.3 16,-0.1 -1,-0.2 -0.342 38.4-136.3 -53.4 134.9 76.5 2.3 47.1 45 45 A M T 3 S+ 0 0 13 14,-0.5 -1,-0.2 1,-0.3 9,-0.1 0.427 104.4 56.2 -81.3 -1.1 75.6 2.5 50.8 46 46 A R T 3 S+ 0 0 173 1,-0.1 2,-0.5 6,-0.1 -1,-0.3 0.321 85.4 82.3-104.8 -1.3 75.0 6.3 50.4 47 47 A D S < S+ 0 0 134 -3,-1.3 2,-0.2 1,-0.1 -1,-0.1 -0.371 83.1 71.9 -95.0 52.4 72.4 5.7 47.6 48 48 A I S S- 0 0 26 -2,-0.5 3,-0.2 -3,-0.1 -1,-0.1 -0.650 70.5-159.2-170.1 94.4 69.8 5.0 50.3 49 49 A A S S+ 0 0 84 1,-0.2 29,-0.1 -2,-0.2 39,-0.1 -0.372 73.4 51.2 -82.6 168.4 68.5 7.9 52.4 50 50 A R S S+ 0 0 25 -2,-0.1 -1,-0.2 27,-0.1 38,-0.2 0.840 95.1 83.7 63.8 37.8 66.9 7.5 55.8 51 51 A c + 0 0 6 -3,-0.2 2,-2.8 -5,-0.1 3,-0.4 -0.129 46.9 156.9-154.8 47.4 69.9 5.4 56.8 52 52 A Q + 0 0 127 1,-0.2 -3,-0.1 -6,-0.0 -6,-0.1 -0.277 37.2 110.4 -82.3 58.0 72.4 8.1 57.9 53 53 A I + 0 0 6 -2,-2.8 14,-3.1 14,-0.1 2,-0.3 0.343 40.7 113.6-115.5 2.6 74.3 5.7 60.1 54 54 A A - 0 0 26 -3,-0.4 12,-0.2 12,-0.2 11,-0.1 -0.616 41.9-169.7 -85.0 133.4 77.6 5.3 58.2 55 55 A G - 0 0 45 -2,-0.3 -1,-0.1 9,-0.3 10,-0.1 0.687 52.8 -52.8 -80.1-109.4 80.8 6.7 59.6 56 56 A T S S+ 0 0 135 8,-0.2 2,-0.2 2,-0.1 9,-0.1 0.781 96.6 91.6-116.3 -39.4 84.0 6.9 57.6 57 57 A V - 0 0 35 7,-0.4 2,-0.5 1,-0.1 7,-0.2 -0.439 67.6-130.0 -76.1 137.3 84.9 3.5 55.9 58 58 A V + 0 0 83 92,-0.2 92,-2.3 -2,-0.2 2,-0.2 -0.752 46.0 142.1 -85.7 126.4 83.7 2.8 52.4 59 59 A S B -D 149 0B 10 -2,-0.5 -14,-0.5 90,-0.2 2,-0.3 -0.842 42.0-123.9-146.6 179.8 82.0 -0.6 52.0 60 60 A T S S+ 0 0 16 88,-1.8 2,-1.6 -2,-0.2 -18,-0.1 -0.984 83.5 4.2-129.4 145.6 79.3 -2.6 50.4 61 61 A Q S S+ 0 0 0 -18,-0.4 -38,-1.8 -2,-0.3 -20,-0.3 -0.362 123.0 40.2 88.2 -55.0 76.6 -4.8 52.2 62 62 A L E S-G 22 0C 0 -2,-1.6 2,-0.7 -40,-0.2 -40,-0.3 -0.803 80.3-117.1-120.6 164.6 77.5 -4.0 55.8 63 63 A F E -G 21 0C 6 -42,-3.3 -43,-3.2 -2,-0.3 -42,-0.6 -0.920 24.2-153.6-102.7 110.8 78.5 -0.9 57.6 64 64 A L E S-G 19 0C 7 -2,-0.7 -7,-0.4 -45,-0.2 -9,-0.3 -0.740 70.1 -22.6 -80.9 128.2 82.0 -1.2 59.1 65 65 A N S S+ 0 0 71 -47,-3.2 -45,-0.4 -2,-0.5 -10,-0.2 -0.119 98.4 106.3 51.0-165.8 82.3 1.1 62.1 66 66 A G S S- 0 0 30 -12,-0.2 -12,-0.2 -47,-0.1 2,-0.1 -0.430 70.0 -8.5 89.4-170.1 79.7 3.9 62.1 67 67 A S - 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