==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-FEB-12 4DKU . COMPND 2 MOLECULE: HIV-1 GP120 CORE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR Y.D.KWON,A.K.DEBNATH,P.D.KWONG . 678 6 14 8 6 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31481.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 452 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 191 28.2 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 . 94 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 6.5 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 . 3 0.4 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 2 2 0 0 0 0 0 0 0 2 2 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 . 6 0 18 8 4 1 1 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 0 119 0, 0.0 340,-2.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 142.1 8.4 18.8 23.8 2 45 A W E -A 340 0A 79 338,-0.2 2,-0.3 105,-0.0 338,-0.2 -0.861 360.0-155.7-142.5 173.7 10.8 16.0 24.5 3 46 A K E -A 339 0A 103 336,-1.3 336,-3.7 -2,-0.3 2,-0.1 -0.986 39.7 -88.1-151.8 149.3 13.1 13.3 23.0 4 47 A D E +A 338 0A 99 -2,-0.3 2,-0.3 334,-0.3 334,-0.3 -0.369 59.9 164.8 -56.2 129.8 14.6 10.0 24.1 5 48 A A - 0 0 16 332,-2.2 2,-0.5 -2,-0.1 332,-0.2 -0.976 35.9-133.1-148.1 160.2 17.9 10.8 25.8 6 49 A D + 0 0 111 -2,-0.3 2,-0.3 330,-0.1 332,-0.0 -0.977 34.5 157.2-116.7 128.8 20.6 9.3 28.0 7 50 A T - 0 0 27 -2,-0.5 2,-0.4 331,-0.0 -2,-0.0 -0.954 49.9 -84.2-143.3 162.8 22.0 11.3 30.9 8 51 A T - 0 0 115 -2,-0.3 2,-0.1 1,-0.0 -2,-0.0 -0.572 50.7-153.1 -70.7 121.3 23.8 10.7 34.2 9 52 A L - 0 0 27 -2,-0.4 2,-0.3 94,-0.1 94,-0.2 -0.450 3.7-143.8 -91.3 164.7 21.1 9.9 36.9 10 53 A F E -E 102 0B 79 92,-2.0 92,-3.3 -2,-0.1 2,-0.3 -0.857 14.7-128.4-122.8 166.2 21.2 10.4 40.6 11 54 A a E -E 101 0B 8 19,-0.5 21,-2.0 -2,-0.3 2,-0.3 -0.791 12.4-163.6-117.1 156.7 19.7 8.3 43.4 12 55 A A E +Ef 100 32B 3 88,-1.4 88,-2.8 -2,-0.3 2,-0.3 -0.995 17.7 159.0-136.1 143.4 17.4 8.8 46.4 13 56 A S E - f 0 33B 7 19,-2.4 21,-0.7 -2,-0.3 86,-0.1 -0.942 46.9-120.7-152.4 170.4 16.9 6.6 49.4 14 57 A D + 0 0 119 84,-0.4 10,-0.1 -2,-0.3 85,-0.1 -0.230 54.7 160.4-108.2 40.3 15.6 6.6 53.0 15 58 A A - 0 0 27 17,-0.2 2,-0.5 8,-0.1 -2,-0.1 -0.239 40.0-123.3 -63.2 149.7 19.0 5.3 54.3 16 59 A K > - 0 0 112 1,-0.1 3,-0.9 2,-0.0 12,-0.2 -0.843 7.9-147.5 -97.2 132.0 19.9 5.7 58.0 17 60 A A T 3 S+ 0 0 87 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.626 97.3 50.9 -72.7 -13.9 23.1 7.5 58.7 18 61 A H T 3 S+ 0 0 151 2,-0.0 -1,-0.2 6,-0.0 2,-0.2 0.432 84.1 108.5-106.3 -2.6 23.8 5.5 61.8 19 62 A E < - 0 0 64 -3,-0.9 -4,-0.0 1,-0.1 0, 0.0 -0.544 53.0-160.1 -74.9 139.4 23.3 2.0 60.3 20 63 A T + 0 0 114 -2,-0.2 73,-0.5 4,-0.1 -1,-0.1 0.502 58.3 119.2 -91.8 -8.8 26.4 -0.1 59.8 21 64 A E S > S- 0 0 8 1,-0.1 4,-2.1 71,-0.1 3,-0.4 -0.401 72.2-128.0 -60.5 131.8 24.4 -2.1 57.2 22 65 A V H > S+ 0 0 10 71,-2.3 4,-2.1 1,-0.3 5,-0.1 0.730 103.0 52.1 -64.8 -29.3 26.3 -1.8 53.9 23 66 A H H > S+ 0 0 2 70,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.902 111.8 47.3 -72.4 -41.4 23.3 -0.6 51.8 24 67 A N H > S+ 0 0 16 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.894 112.6 50.6 -61.9 -41.0 22.4 2.1 54.2 25 68 A V H X S+ 0 0 57 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.919 112.3 45.6 -65.5 -45.5 26.1 3.2 54.4 26 69 A W H >X S+ 0 0 17 -4,-2.1 4,-1.4 1,-0.2 3,-0.6 0.947 114.8 46.3 -62.4 -50.7 26.5 3.4 50.6 27 70 A A H 3X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.829 106.3 60.5 -63.3 -34.0 23.2 5.2 50.0 28 71 A T H 3< S+ 0 0 52 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.846 117.3 31.2 -60.4 -34.7 24.1 7.6 52.9 29 72 A H H << S+ 0 0 153 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.555 130.8 35.1-100.7 -10.3 27.2 8.7 50.9 30 73 A A H < S+ 0 0 50 -4,-1.4 -19,-0.5 -5,-0.1 2,-0.2 0.562 111.8 47.9-121.7 -15.0 25.9 8.2 47.4 31 74 A a < - 0 0 20 -4,-2.8 -19,-0.3 -5,-0.2 3,-0.0 -0.671 67.7-125.7-122.6 177.9 22.2 9.2 47.4 32 75 A V E -f 12 0B 68 -21,-2.0 -19,-2.4 -2,-0.2 -17,-0.2 -0.738 42.5 -78.9-116.8 166.0 20.0 12.0 48.6 33 76 A P E -f 13 0B 111 0, 0.0 -19,-0.2 0, 0.0 -1,-0.1 -0.386 55.4-107.2 -60.9 146.1 16.9 12.0 50.8 34 77 A T - 0 0 32 -21,-0.7 3,-0.1 1,-0.1 -21,-0.0 -0.330 32.7-101.5 -71.0 157.1 13.7 10.9 49.0 35 78 A D - 0 0 71 1,-0.2 -1,-0.1 -2,-0.0 96,-0.0 -0.718 25.4-155.5 -79.1 122.0 11.0 13.4 48.1 36 79 A P S S+ 0 0 123 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.802 91.3 35.4 -69.1 -30.0 8.2 13.0 50.6 37 80 A N S S- 0 0 135 -3,-0.1 2,-0.1 2,-0.0 -2,-0.0 -0.641 84.3-167.0-125.7 74.7 5.6 14.5 48.1 38 81 A P - 0 0 92 0, 0.0 2,-0.3 0, 0.0 -4,-0.0 -0.354 13.9-134.4 -66.4 135.5 6.6 13.3 44.6 39 82 A Q - 0 0 101 -2,-0.1 91,-0.5 2,-0.0 2,-0.3 -0.676 22.2-177.3 -91.1 144.3 5.0 15.0 41.7 40 83 A E E -B 129 0A 82 -2,-0.3 2,-0.7 89,-0.1 89,-0.2 -0.929 11.7-157.8-146.4 116.3 3.6 12.9 38.7 41 84 A I E -B 128 0A 105 87,-1.9 87,-2.8 -2,-0.3 2,-0.6 -0.856 11.6-147.2 -98.9 115.7 2.0 14.3 35.6 42 85 A H E -B 127 0A 124 -2,-0.7 2,-0.7 85,-0.3 85,-0.3 -0.718 16.5-139.7 -81.8 120.2 -0.3 12.0 33.7 43 86 A L E > -B 126 0A 37 83,-2.3 3,-0.8 -2,-0.6 83,-0.6 -0.720 12.5-143.8 -89.7 112.0 -0.0 12.7 30.0 44 87 A E T 3 S- 0 0 178 -2,-0.7 3,-0.1 1,-0.2 81,-0.1 -0.484 76.7 -0.2 -74.0 140.5 -3.3 12.6 28.2 45 88 A N T 3 S+ 0 0 170 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.824 95.6 137.4 52.1 40.4 -3.5 11.2 24.6 46 89 A V < - 0 0 30 -3,-0.8 2,-0.5 78,-0.5 80,-0.4 -0.965 36.7-164.2-118.7 131.6 0.3 10.5 24.5 47 90 A T + 0 0 83 -2,-0.4 2,-0.4 -3,-0.1 77,-0.2 -0.963 11.3 178.4-115.7 120.0 1.9 7.4 23.0 48 91 A E E -H 123 0C 30 75,-1.6 75,-2.8 -2,-0.5 2,-0.5 -0.939 23.3-132.0-118.1 141.9 5.5 6.7 23.9 49 92 A N E -H 122 0C 99 -2,-0.4 2,-0.3 73,-0.3 71,-0.0 -0.798 24.1-166.1 -93.5 132.1 7.6 3.7 22.7 50 93 A F E -H 121 0C 8 71,-2.7 71,-2.4 -2,-0.5 2,-0.2 -0.824 15.4-171.5-114.6 155.1 9.6 1.8 25.4 51 94 A N E > -H 120 0C 70 -2,-0.3 3,-1.6 69,-0.2 69,-0.2 -0.679 2.8-178.3-146.7 89.6 12.4 -0.8 25.1 52 95 A M G > S+ 0 0 2 67,-2.5 3,-0.6 1,-0.3 6,-0.1 0.749 82.5 61.1 -57.9 -27.8 13.3 -2.4 28.4 53 96 A W G 3 S+ 0 0 19 1,-0.3 -1,-0.3 66,-0.2 2,-0.1 0.651 110.5 38.8 -80.5 -15.8 16.0 -4.5 26.8 54 97 A K G < S+ 0 0 148 -3,-1.6 2,-0.5 4,-0.0 -1,-0.3 -0.554 83.6 133.6-130.4 67.9 18.0 -1.4 25.6 55 98 A N X> - 0 0 12 -3,-0.6 3,-1.5 -2,-0.1 4,-0.9 -0.969 46.8-153.8-126.4 117.7 17.6 1.0 28.5 56 99 A N H 3> S+ 0 0 49 -2,-0.5 4,-2.2 1,-0.3 5,-0.2 0.688 92.7 72.6 -65.5 -18.9 20.6 2.9 29.9 57 100 A M H 3> S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.872 96.2 53.3 -59.6 -36.8 18.9 3.1 33.3 58 101 A V H <> S+ 0 0 1 -3,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.943 107.8 48.0 -63.0 -50.7 19.7 -0.6 33.6 59 102 A E H X S+ 0 0 54 -4,-0.9 4,-1.7 1,-0.2 -2,-0.2 0.883 112.1 51.1 -56.1 -40.7 23.4 -0.1 32.8 60 103 A Q H X S+ 0 0 24 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.866 109.3 47.7 -70.1 -38.1 23.5 2.7 35.4 61 104 A M H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.893 109.4 55.0 -68.8 -39.0 21.9 0.8 38.2 62 105 A Q H X S+ 0 0 19 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.884 104.9 54.1 -57.6 -40.7 24.3 -2.1 37.5 63 106 A E H X S+ 0 0 118 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.852 109.1 49.2 -63.7 -35.2 27.2 0.3 37.9 64 107 A D H X S+ 0 0 40 -4,-1.3 4,-3.2 2,-0.2 -2,-0.2 0.959 110.2 47.4 -65.7 -53.5 25.8 1.3 41.3 65 108 A V H X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.800 112.4 50.9 -65.9 -28.9 25.4 -2.3 42.6 66 109 A I H X S+ 0 0 46 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.934 112.4 46.6 -66.7 -47.0 28.9 -3.1 41.4 67 110 A S H X S+ 0 0 39 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.894 112.8 49.9 -62.0 -42.5 30.2 -0.0 43.2 68 111 A L H X S+ 0 0 5 -4,-3.2 4,-2.2 1,-0.2 5,-0.3 0.948 113.4 45.2 -60.2 -50.7 28.2 -0.9 46.3 69 112 A W H X S+ 0 0 5 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.826 109.1 55.8 -65.3 -34.3 29.5 -4.5 46.4 70 113 A D H < S+ 0 0 60 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.891 116.9 36.2 -64.3 -38.7 33.1 -3.4 45.7 71 114 A Q H < S+ 0 0 127 -4,-1.7 -2,-0.2 -5,-0.2 3,-0.2 0.787 129.8 32.1 -83.9 -28.7 33.1 -1.2 48.7 72 115 A S H < S+ 0 0 20 -4,-2.2 2,-0.5 1,-0.2 -3,-0.2 0.784 117.3 45.7-103.1 -34.7 31.0 -3.4 50.9 73 116 A L < + 0 0 13 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.1 -0.591 62.8 165.8-119.2 70.7 31.7 -7.0 50.0 74 117 A Q - 0 0 46 -2,-0.5 2,-0.1 -3,-0.2 -4,-0.1 -0.762 26.5-143.4 -85.4 121.7 35.4 -7.5 49.7 75 118 A P - 0 0 1 0, 0.0 12,-0.4 0, 0.0 209,-0.2 -0.354 19.1-117.1 -78.6 162.7 36.3 -11.3 49.7 76 119 A b S S+ 0 0 25 207,-1.8 11,-2.2 1,-0.2 2,-0.4 0.889 101.5 27.4 -65.7 -40.7 39.4 -12.7 51.3 77 120 A V E -IJ 86 283D 24 206,-1.4 206,-2.2 9,-0.2 2,-0.5 -0.984 67.2-162.1-131.4 124.8 40.8 -13.9 48.0 78 121 A K E -IJ 85 282D 34 7,-3.3 7,-2.4 -2,-0.4 2,-0.5 -0.909 2.8-171.2-104.0 130.2 40.2 -12.5 44.5 79 122 A L E +IJ 84 281D 68 202,-3.4 202,-1.6 -2,-0.5 2,-0.6 -0.643 27.4 154.3-116.7 72.1 41.0 -14.6 41.5 80 123 A T E > -I 83 0D 40 3,-0.8 3,-0.9 -2,-0.5 200,-0.2 -0.875 64.9 -29.0-114.2 108.6 40.6 -12.1 38.6 81 124 A G T 3 S- 0 0 76 -2,-0.6 2,-0.6 198,-0.4 -1,-0.2 0.904 118.5 -48.2 62.2 50.4 42.4 -12.5 35.3 82 198 A G T 3 S+ 0 0 82 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 -0.153 118.1 98.9 89.0 -41.4 45.5 -14.4 36.3 83 199 A S E < -I 80 0D 68 -3,-0.9 -3,-0.8 -2,-0.6 2,-0.5 -0.473 62.9-144.4 -80.3 152.2 46.4 -12.1 39.2 84 200 A V E -I 79 0D 85 -5,-0.2 2,-0.5 -2,-0.1 -5,-0.2 -0.976 9.8-163.8-122.3 126.6 45.5 -13.0 42.8 85 201 A I E -I 78 0D 69 -7,-2.4 -7,-3.3 -2,-0.5 2,-0.6 -0.935 1.3-164.0-116.2 119.9 44.4 -10.5 45.4 86 202 A K E +I 77 0D 174 -2,-0.5 2,-0.2 -9,-0.2 -9,-0.2 -0.886 22.3 160.8-104.9 113.9 44.4 -11.2 49.1 87 203 A Q - 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