==== 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 4DKV . 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) . 31647.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 447 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 187 27.6 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 . 3 0.4 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 . 91 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 6.8 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 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 1 1 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 3 17 6 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 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 0 130 0, 0.0 340,-3.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 143.3 8.4 18.9 23.7 2 45 A W E -A 340 0A 81 338,-0.2 2,-0.3 339,-0.2 338,-0.2 -0.910 360.0-160.8-145.7 171.9 10.8 16.1 24.5 3 46 A K E -A 339 0A 103 336,-0.9 336,-3.0 -2,-0.3 2,-0.1 -0.983 39.7 -83.1-153.0 155.6 13.0 13.3 22.9 4 47 A D E +A 338 0A 104 -2,-0.3 2,-0.3 334,-0.2 334,-0.2 -0.400 60.0 160.7 -61.2 133.0 14.7 10.1 24.0 5 48 A A - 0 0 18 332,-1.9 2,-0.4 -2,-0.1 332,-0.2 -0.996 37.5-131.4-156.1 151.3 18.0 10.8 25.7 6 49 A D + 0 0 115 -2,-0.3 2,-0.3 330,-0.1 332,-0.0 -0.897 35.4 162.0-103.9 135.8 20.6 9.3 28.0 7 50 A T - 0 0 23 -2,-0.4 2,-0.7 331,-0.0 -2,-0.0 -0.959 47.5 -84.3-146.6 164.3 21.9 11.3 31.0 8 51 A T - 0 0 115 -2,-0.3 2,-0.1 95,-0.0 -2,-0.0 -0.617 50.4-157.5 -72.7 112.3 23.7 11.0 34.3 9 52 A L - 0 0 26 -2,-0.7 2,-0.3 94,-0.1 94,-0.2 -0.432 3.7-147.5 -85.3 161.7 21.1 10.0 36.9 10 53 A F E -E 102 0B 81 92,-2.0 92,-3.2 -2,-0.1 2,-0.3 -0.814 14.1-126.3-120.6 170.1 21.2 10.5 40.6 11 54 A a E -E 101 0B 6 19,-0.5 21,-2.0 -2,-0.3 2,-0.3 -0.820 13.7-163.5-119.2 157.5 19.7 8.4 43.4 12 55 A A E +Ef 100 32B 3 88,-2.1 88,-3.0 -2,-0.3 2,-0.3 -0.985 18.0 156.1-136.0 147.2 17.5 8.9 46.4 13 56 A S E - f 0 33B 8 19,-2.3 21,-0.8 -2,-0.3 86,-0.1 -0.952 48.8-118.0-157.7 174.2 16.8 6.8 49.5 14 57 A D + 0 0 119 84,-0.4 85,-0.1 -2,-0.3 10,-0.1 -0.158 56.2 158.0-110.8 35.5 15.7 6.7 53.1 15 58 A A - 0 0 26 83,-0.1 2,-0.5 8,-0.1 -2,-0.1 -0.187 40.5-123.1 -60.4 151.3 19.1 5.3 54.3 16 59 A K > - 0 0 115 1,-0.1 3,-0.7 5,-0.1 12,-0.2 -0.872 6.8-151.3-103.2 128.4 20.1 5.8 58.0 17 60 A A T 3 S+ 0 0 88 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.764 97.6 49.3 -66.9 -26.5 23.4 7.6 58.7 18 61 A H T 3 S+ 0 0 148 2,-0.0 -1,-0.2 6,-0.0 2,-0.2 0.603 88.4 103.7 -90.2 -13.3 23.9 5.7 62.0 19 62 A E < - 0 0 63 -3,-0.7 -4,-0.0 1,-0.1 0, 0.0 -0.487 56.9-157.8 -74.6 137.4 23.3 2.3 60.5 20 63 A T + 0 0 107 -2,-0.2 73,-0.4 4,-0.1 -1,-0.1 0.527 55.9 120.2 -90.8 -8.8 26.3 0.1 59.8 21 64 A E S > S- 0 0 4 1,-0.1 4,-2.1 71,-0.1 3,-0.4 -0.394 70.5-127.8 -59.2 131.3 24.4 -2.0 57.2 22 65 A V H > S+ 0 0 16 71,-2.3 4,-2.4 1,-0.3 5,-0.2 0.750 104.5 52.4 -62.4 -32.7 26.4 -1.6 54.0 23 66 A H H > S+ 0 0 2 70,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.909 111.4 48.7 -67.9 -41.8 23.5 -0.5 51.7 24 67 A N H > S+ 0 0 18 -3,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.905 112.5 48.8 -59.7 -43.5 22.6 2.2 54.2 25 68 A V H X S+ 0 0 62 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.915 112.5 47.2 -64.0 -45.4 26.3 3.3 54.3 26 69 A W H >X S+ 0 0 16 -4,-2.4 4,-1.7 1,-0.2 3,-0.6 0.950 114.8 45.0 -61.9 -50.8 26.6 3.4 50.5 27 70 A A H 3X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.784 105.1 63.1 -66.4 -28.9 23.4 5.4 50.0 28 71 A T H 3< S+ 0 0 51 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.872 116.7 29.6 -62.9 -36.2 24.2 7.8 52.8 29 72 A H H << S+ 0 0 160 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.635 129.8 39.1 -97.1 -17.0 27.3 8.9 50.9 30 73 A A H < S+ 0 0 50 -4,-1.7 -19,-0.5 -5,-0.2 2,-0.2 0.540 111.1 49.4-112.7 -10.1 25.9 8.4 47.3 31 74 A a < - 0 0 20 -4,-2.3 -19,-0.2 -5,-0.2 3,-0.0 -0.780 65.5-129.7-128.9 169.8 22.3 9.4 47.5 32 75 A V E -f 12 0B 72 -21,-2.0 -19,-2.3 -2,-0.2 -2,-0.0 -0.699 44.8 -79.5-110.2 165.6 20.0 12.2 48.6 33 76 A P E -f 13 0B 113 0, 0.0 -19,-0.2 0, 0.0 -1,-0.1 -0.355 53.9-105.5 -62.0 148.8 16.8 12.1 50.8 34 77 A T - 0 0 35 -21,-0.8 3,-0.1 1,-0.1 -21,-0.0 -0.226 32.5-103.6 -68.7 163.3 13.7 11.0 49.0 35 78 A D - 0 0 82 1,-0.2 -1,-0.1 4,-0.0 96,-0.0 -0.828 23.6-161.0 -90.9 118.7 10.9 13.4 48.1 36 79 A P S S+ 0 0 108 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.846 91.4 34.7 -67.0 -34.9 7.9 13.0 50.5 37 80 A N S S- 0 0 132 -3,-0.1 2,-0.2 2,-0.0 0, 0.0 -0.591 83.4-176.3-119.1 69.3 5.6 14.7 48.1 38 81 A P - 0 0 92 0, 0.0 2,-0.2 0, 0.0 -4,-0.0 -0.435 21.3-128.8 -72.3 136.3 6.8 13.6 44.6 39 82 A Q - 0 0 168 -2,-0.2 91,-0.5 2,-0.0 2,-0.3 -0.575 24.0-174.7 -83.4 145.3 4.9 15.2 41.6 40 83 A E E -B 129 0A 87 -2,-0.2 2,-0.6 89,-0.1 89,-0.2 -0.938 8.2-161.5-143.4 119.1 3.5 13.0 38.8 41 84 A I E -B 128 0A 107 87,-2.0 87,-2.6 -2,-0.3 2,-0.6 -0.888 11.6-146.7-104.2 117.1 1.9 14.3 35.7 42 85 A H E -B 127 0A 126 -2,-0.6 2,-0.5 85,-0.3 85,-0.3 -0.724 20.8-132.9 -81.8 121.8 -0.3 11.9 33.7 43 86 A L E > -B 126 0A 32 83,-2.6 3,-0.7 -2,-0.6 83,-0.5 -0.641 15.0-138.6 -84.5 122.7 0.1 12.7 30.0 44 87 A E T 3 S- 0 0 179 -2,-0.5 3,-0.1 1,-0.2 81,-0.0 -0.609 78.2 -4.9 -82.9 135.4 -3.2 12.9 28.0 45 88 A N T 3 S+ 0 0 161 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.817 95.9 143.9 55.8 36.7 -3.4 11.4 24.6 46 89 A V < - 0 0 30 -3,-0.7 2,-0.5 78,-0.4 80,-0.3 -0.925 34.1-167.0-114.3 127.3 0.3 10.5 24.6 47 90 A T - 0 0 96 -2,-0.5 2,-0.4 -3,-0.1 77,-0.2 -0.956 12.8-178.8-112.1 119.9 1.7 7.4 23.0 48 91 A E E -H 123 0C 25 75,-1.8 75,-1.8 -2,-0.5 2,-0.4 -0.948 21.4-134.0-121.3 138.3 5.3 6.6 23.9 49 92 A N E -H 122 0C 102 -2,-0.4 2,-0.3 73,-0.2 71,-0.0 -0.737 24.1-169.3 -88.8 135.2 7.6 3.7 22.8 50 93 A F E -H 121 0C 9 71,-2.7 71,-1.9 -2,-0.4 2,-0.2 -0.893 15.4-172.2-121.4 153.3 9.6 1.8 25.4 51 94 A N E > -H 120 0C 63 -2,-0.3 3,-1.7 69,-0.2 69,-0.2 -0.701 3.6-178.0-146.1 92.2 12.4 -0.7 25.1 52 95 A M T 3 S+ 0 0 2 67,-2.0 3,-0.4 1,-0.3 68,-0.1 0.719 85.4 59.5 -61.1 -23.5 13.4 -2.3 28.5 53 96 A W T 3 S+ 0 0 22 1,-0.3 -1,-0.3 66,-0.2 2,-0.2 0.575 110.5 41.5 -86.0 -11.1 16.1 -4.3 26.7 54 97 A K S < S+ 0 0 159 -3,-1.7 2,-0.4 4,-0.0 -1,-0.3 -0.663 82.9 129.0-132.9 77.4 17.8 -1.2 25.5 55 98 A N >> - 0 0 16 -3,-0.4 3,-2.0 -2,-0.2 4,-0.7 -0.936 47.1-155.7-141.1 110.4 17.6 1.2 28.5 56 99 A N H 3> S+ 0 0 50 -2,-0.4 4,-2.2 1,-0.3 5,-0.2 0.681 90.8 74.9 -62.3 -19.1 20.7 3.0 29.9 57 100 A M H 3> S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.854 94.1 54.1 -58.0 -34.9 18.9 3.2 33.3 58 101 A V H <> S+ 0 0 1 -3,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.923 107.3 47.9 -66.5 -46.8 19.8 -0.5 33.6 59 102 A E H X S+ 0 0 55 -4,-0.7 4,-1.9 1,-0.2 -2,-0.2 0.884 112.0 51.2 -60.3 -40.2 23.5 0.0 33.0 60 103 A Q H X S+ 0 0 28 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.893 110.0 47.1 -68.0 -41.8 23.6 2.9 35.4 61 104 A M H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.908 109.5 55.8 -63.8 -40.7 21.9 0.9 38.2 62 105 A Q H X S+ 0 0 17 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.902 105.4 51.8 -55.7 -43.7 24.3 -1.9 37.5 63 106 A E H X S+ 0 0 122 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.860 108.7 51.4 -63.5 -37.3 27.2 0.5 38.0 64 107 A D H X S+ 0 0 40 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.953 111.0 46.1 -61.4 -52.2 25.8 1.5 41.4 65 108 A V H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.864 112.2 51.7 -63.6 -37.3 25.4 -2.0 42.6 66 109 A I H X S+ 0 0 44 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.941 112.1 45.6 -61.7 -48.2 28.9 -2.9 41.4 67 110 A S H X S+ 0 0 33 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.888 112.5 52.3 -63.0 -39.3 30.4 0.1 43.3 68 111 A L H X S+ 0 0 5 -4,-2.8 4,-1.5 1,-0.2 5,-0.2 0.927 113.0 43.5 -60.6 -47.4 28.3 -0.8 46.3 69 112 A W H X S+ 0 0 5 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.831 109.6 57.4 -69.6 -33.0 29.7 -4.4 46.3 70 113 A D H < S+ 0 0 69 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.874 115.6 36.0 -63.7 -37.5 33.2 -3.2 45.6 71 114 A Q H < S+ 0 0 142 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.706 129.7 32.2 -87.4 -22.0 33.2 -1.1 48.7 72 115 A S H < S+ 0 0 19 -4,-1.5 -3,-0.2 -5,-0.2 -2,-0.2 0.732 118.1 42.6-110.5 -30.6 31.1 -3.4 50.9 73 116 A L < + 0 0 11 -4,-2.6 -1,-0.1 -5,-0.2 -2,-0.1 -0.439 62.8 161.0-125.8 59.2 31.9 -7.0 49.9 74 117 A Q - 0 0 46 -3,-0.2 -4,-0.1 -2,-0.1 4,-0.0 -0.689 32.4-136.5 -79.8 126.2 35.6 -7.5 49.3 75 118 A P - 0 0 2 0, 0.0 12,-0.4 0, 0.0 209,-0.2 -0.257 16.0-118.2 -75.6 166.1 36.6 -11.2 49.5 76 119 A b S S+ 0 0 21 207,-2.1 11,-1.8 1,-0.3 2,-0.4 0.905 103.4 24.1 -68.6 -43.0 39.6 -12.6 51.3 77 120 A V E S-IJ 86 283D 34 206,-1.4 206,-2.6 9,-0.2 2,-0.4 -0.987 71.0-170.0-128.5 132.2 41.0 -13.9 48.0 78 121 A K E -IJ 85 282D 30 7,-2.4 7,-2.0 -2,-0.4 2,-0.6 -0.972 8.0-160.9-124.4 139.0 40.2 -12.6 44.5 79 122 A L E +IJ 84 281D 72 202,-3.0 202,-1.6 -2,-0.4 2,-0.5 -0.859 26.2 155.5-121.9 95.9 41.2 -14.2 41.2 80 123 A T E > -I 83 0D 35 3,-1.4 3,-2.1 -2,-0.6 200,-0.1 -0.966 66.9 -23.7-130.1 119.5 41.0 -11.8 38.2 81 124 A G T 3 S- 0 0 92 -2,-0.5 3,-0.1 198,-0.4 -1,-0.1 0.773 123.7 -50.7 59.2 31.4 42.9 -11.9 34.9 82 198 A G T 3 S+ 0 0 82 1,-0.4 -1,-0.3 0, 0.0 2,-0.2 0.217 115.0 117.7 91.8 -14.5 45.7 -14.1 36.3 83 199 A S E < -I 80 0D 63 -3,-2.1 -3,-1.4 2,-0.0 2,-0.5 -0.526 53.6-148.6 -85.1 153.1 46.2 -11.8 39.3 84 200 A V E -I 79 0D 84 -5,-0.2 2,-0.5 -2,-0.2 -5,-0.2 -0.955 11.0-169.3-127.4 113.4 45.7 -12.8 42.9 85 201 A I E -I 78 0D 60 -7,-2.0 -7,-2.4 -2,-0.5 2,-0.6 -0.883 1.4-168.4-106.0 127.4 44.5 -10.2 45.4 86 202 A K E +I 77 0D 167 -2,-0.5 2,-0.2 -9,-0.2 -9,-0.2 -0.937 21.3 152.3-118.5 111.3 44.5 -11.0 49.2 87 203 A Q - 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