==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 05-SEP-11 3TOG . COMPND 2 MOLECULE: GAG-POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 (B . AUTHOR S.GEREMIA,F.M..OLAJUYIGBE,N.DEMITRI . 396 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19111.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 146 36.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 47 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 3 0 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 RESIDUES PER ALPHA HELIX . 0 8 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 0 0 PARALLEL BRIDGES PER LADDER . 4 4 6 0 0 4 2 6 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 0 2 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 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 P 0 0 107 0, 0.0 198,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 151.4 33.9 -25.3 35.6 2 2 A Q E -A 198 0A 144 196,-0.2 2,-0.4 197,-0.1 196,-0.2 -0.987 360.0-162.8-133.5 145.3 37.4 -24.4 34.5 3 3 A I E -A 197 0A 39 194,-2.1 194,-2.1 -2,-0.4 2,-0.1 -0.961 10.6-146.4-126.3 122.2 38.8 -22.8 31.4 4 4 A T - 0 0 84 -2,-0.4 3,-0.2 192,-0.2 192,-0.1 -0.329 26.8-123.2 -72.7 178.1 42.4 -22.8 30.0 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.1 185,-0.1 0.185 78.8 112.0-116.1 27.3 43.3 -19.6 28.2 6 6 A W S S+ 0 0 182 185,-0.1 2,-0.3 184,-0.1 -1,-0.1 0.864 88.1 28.6 -67.0 -34.3 44.3 -21.2 24.9 7 7 A K S S- 0 0 172 -3,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.797 111.5 -74.5-116.7 165.6 41.2 -19.4 23.4 8 8 A R - 0 0 139 -2,-0.3 2,-2.4 1,-0.1 119,-0.1 -0.363 51.3-116.0 -57.1 139.4 39.4 -16.2 24.4 9 9 A P + 0 0 4 0, 0.0 15,-2.4 0, 0.0 2,-0.4 -0.388 52.3 169.3 -84.3 72.8 37.5 -17.0 27.6 10 10 A L E +D 23 0B 87 -2,-2.4 2,-0.3 13,-0.2 13,-0.2 -0.651 7.6 173.8 -87.8 133.9 34.0 -16.4 26.0 11 11 A V E -D 22 0B 20 11,-2.6 11,-2.4 -2,-0.4 2,-0.3 -0.939 35.1-105.6-131.0 159.2 30.9 -17.3 27.8 12 12 A T E -D 21 0B 67 -2,-0.3 55,-2.2 9,-0.2 2,-0.3 -0.665 39.7-174.9 -80.2 139.1 27.2 -16.8 27.1 13 13 A I E -DE 20 66B 2 7,-2.9 7,-2.5 -2,-0.3 2,-0.5 -0.900 19.2-139.4-128.0 162.6 25.5 -14.2 29.3 14 14 A K E +DE 19 65B 88 51,-2.1 51,-2.7 -2,-0.3 2,-0.4 -0.994 28.2 165.0-123.5 124.1 21.9 -13.1 29.6 15 15 A I E > -DE 18 64B 1 3,-2.4 3,-2.3 -2,-0.5 49,-0.1 -0.997 68.8 -4.4-144.4 135.4 21.2 -9.4 30.0 16 16 A G T 3 S- 0 0 53 47,-0.7 3,-0.1 -2,-0.4 48,-0.1 0.754 129.2 -59.7 47.6 25.6 17.8 -7.6 29.6 17 17 A G T 3 S+ 0 0 49 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.432 115.1 116.7 90.9 4.6 16.3 -10.9 28.6 18 18 A Q E < -D 15 0B 101 -3,-2.3 -3,-2.4 1,-0.0 2,-0.4 -0.853 63.0-127.8-110.5 137.8 18.8 -11.2 25.6 19 19 A L E +D 14 0B 129 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.616 39.1 157.4 -82.3 133.2 21.5 -13.8 25.0 20 20 A K E -D 13 0B 35 -7,-2.5 -7,-2.9 -2,-0.4 2,-0.4 -0.915 37.3-116.4-140.3 170.8 25.0 -12.5 24.2 21 21 A E E +D 12 0B 112 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.945 33.6 176.8-109.1 153.5 28.5 -13.6 24.4 22 22 A A E -D 11 0B 0 -11,-2.4 -11,-2.6 -2,-0.4 2,-0.4 -0.978 29.8-114.9-152.6 154.8 31.2 -11.9 26.7 23 23 A L E -Df 10 84B 11 60,-2.8 62,-3.1 -2,-0.3 2,-0.7 -0.757 24.1-131.3 -91.4 131.5 34.8 -12.3 27.7 24 24 A L E - f 0 85B 0 -15,-2.4 2,-0.6 -2,-0.4 62,-0.2 -0.751 36.5-169.8 -79.1 111.2 35.6 -13.1 31.4 25 25 A D > + 0 0 15 60,-3.0 3,-1.7 -2,-0.7 62,-0.3 -0.861 31.2 178.8-120.6 100.3 38.2 -10.4 32.0 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.657 87.0 63.2 -68.5 -17.6 40.3 -10.3 35.1 27 27 A G T 3 S+ 0 0 20 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.268 89.5 84.8 -83.7 -0.3 42.0 -7.2 33.6 28 28 A A < - 0 0 14 -3,-1.7 59,-3.3 57,-0.2 60,-0.2 -0.949 56.6-166.5-111.9 125.3 38.7 -5.2 33.8 29 29 A D S S+ 0 0 49 -2,-0.5 59,-1.3 57,-0.2 2,-0.2 0.841 79.3 32.8 -65.3 -37.7 37.6 -3.5 37.0 30 30 A D S S- 0 0 62 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.710 84.1-109.1-126.6 165.2 34.1 -3.0 35.5 31 31 A T - 0 0 1 43,-0.4 45,-2.8 -2,-0.2 2,-0.5 -0.860 32.1-170.6-108.6 127.8 31.7 -4.8 33.2 32 32 A V E -gH 76 84B 6 52,-1.8 52,-3.0 -2,-0.5 2,-0.4 -0.984 1.8-172.0-131.0 118.5 31.1 -3.2 29.8 33 33 A I E -g 77 0B 0 43,-3.1 45,-2.7 -2,-0.5 47,-0.2 -0.891 30.8-101.6-111.8 144.0 28.4 -4.3 27.3 34 34 A E - 0 0 32 -2,-0.4 -1,-0.1 43,-0.2 49,-0.0 -0.130 59.7 -70.9 -56.4 155.0 27.9 -3.1 23.7 35 35 A E S S+ 0 0 102 43,-0.5 2,-0.3 45,-0.1 -1,-0.2 -0.238 74.6 142.3 -48.4 134.7 25.2 -0.6 23.0 36 36 A M - 0 0 26 -3,-0.1 2,-0.6 2,-0.1 -3,-0.0 -0.932 58.7 -84.5-166.6 162.3 21.8 -2.1 23.4 37 37 A S + 0 0 121 -2,-0.3 -2,-0.0 -21,-0.0 0, 0.0 -0.736 52.7 172.4 -81.3 115.4 18.3 -1.2 24.7 38 38 A L - 0 0 16 -2,-0.6 2,-0.1 2,-0.1 -2,-0.1 -0.976 28.1-132.9-129.9 120.2 18.4 -1.8 28.4 39 39 A P + 0 0 102 0, 0.0 2,-0.2 0, 0.0 -23,-0.1 -0.449 61.2 78.6 -72.8 149.1 15.6 -0.8 30.7 40 40 A G S S- 0 0 50 -2,-0.1 2,-0.3 22,-0.0 -2,-0.1 -0.536 81.2 -73.0 133.6 155.7 16.8 1.0 33.8 41 41 A R + 0 0 174 -2,-0.2 19,-0.6 19,-0.1 2,-0.3 -0.638 54.4 177.4 -73.8 144.1 17.9 4.3 35.2 42 42 A W E -I 59 0B 98 -2,-0.3 17,-0.2 17,-0.2 15,-0.0 -0.882 22.1-153.1-144.9 162.8 21.4 5.3 34.2 43 43 A K E -I 58 0B 88 15,-1.5 15,-3.2 -2,-0.3 2,-0.1 -0.986 34.3 -99.3-135.4 153.2 24.0 8.1 34.4 44 44 A P E +I 57 0B 84 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.427 47.7 162.7 -70.9 145.6 26.9 9.0 32.1 45 45 A K E -I 56 0B 79 11,-2.1 11,-3.2 -2,-0.1 2,-0.4 -0.967 32.7-125.6-150.9 161.9 30.4 7.8 32.9 46 46 A M E -I 55 0B 97 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.916 23.2-173.2-107.1 146.0 33.8 7.4 31.2 47 47 A I E -I 54 0B 12 7,-2.6 7,-2.9 -2,-0.4 2,-0.3 -0.992 11.3-176.2-137.3 147.3 35.6 4.1 31.2 48 48 A G E +I 53 0B 35 -2,-0.3 5,-0.3 5,-0.2 2,-0.2 -0.830 23.5 137.2-141.1 171.8 39.1 3.5 29.9 49 49 A G E > +I 52 0B 28 3,-2.2 3,-1.4 -2,-0.3 2,-0.2 -0.750 69.5 3.7-176.7-139.2 42.0 1.2 29.1 50 50 A I T 3 S+ 0 0 23 1,-0.2 101,-2.1 -2,-0.2 102,-0.5 -0.487 130.6 20.4 -61.6 134.8 44.4 0.9 26.2 51 51 A G T 3 S- 0 0 35 128,-0.4 2,-0.3 100,-0.2 -1,-0.2 0.196 122.7 -81.3 89.7 -8.8 43.8 3.7 23.6 52 52 A G E < -I 49 0B 29 -3,-1.4 -3,-2.2 100,-0.2 99,-0.3 -0.850 64.9 -39.8 116.7-157.2 41.9 6.0 26.0 53 53 A F E -I 48 0B 144 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.770 37.7-156.1-113.3 150.1 38.4 6.3 27.4 54 54 A I E -I 47 0B 22 -7,-2.9 -7,-2.6 -2,-0.3 2,-0.4 -0.935 25.5-113.0-120.4 151.9 34.9 5.9 26.0 55 55 A K E +I 46 0B 145 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.721 43.1 173.5 -84.8 129.5 31.6 7.4 27.2 56 56 A V E -I 45 0B 5 -11,-3.2 -11,-2.1 -2,-0.4 2,-0.6 -0.824 36.9-109.5-131.0 167.8 29.2 4.8 28.6 57 57 A R E -IJ 44 77B 95 20,-2.5 20,-2.4 -2,-0.3 2,-0.7 -0.940 31.8-146.0 -97.2 120.9 25.8 4.6 30.4 58 58 A Q E -IJ 43 76B 22 -15,-3.2 -15,-1.5 -2,-0.6 2,-0.5 -0.826 17.7-174.3 -92.2 113.4 26.3 3.4 34.0 59 59 A Y E -IJ 42 75B 5 16,-2.7 16,-2.4 -2,-0.7 3,-0.4 -0.928 10.0-152.6-105.2 121.2 23.3 1.2 35.1 60 60 A D E + 0 0 70 -19,-0.6 -19,-0.1 -2,-0.5 14,-0.1 -0.537 69.5 15.3 -94.0 155.4 23.3 0.1 38.7 61 61 A Q E S+ 0 0 165 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.876 78.3 166.9 52.1 52.4 21.7 -3.1 40.1 62 62 A I E - J 0 73B 17 11,-2.7 11,-2.1 -3,-0.4 2,-0.6 -0.790 33.5-131.8 -92.4 134.4 21.3 -4.8 36.8 63 63 A I E + J 0 72B 114 -2,-0.4 -47,-0.7 9,-0.2 2,-0.4 -0.792 37.0 165.7 -88.2 122.8 20.4 -8.6 36.9 64 64 A I E -EJ 15 71B 1 7,-2.0 7,-2.4 -2,-0.6 2,-0.5 -0.984 29.9-140.6-134.7 146.1 22.7 -10.5 34.6 65 65 A E E -EJ 14 70B 57 -51,-2.7 -51,-2.1 -2,-0.4 2,-0.5 -0.923 15.1-169.4-108.8 136.5 23.5 -14.2 34.1 66 66 A I E > S-EJ 13 69B 0 3,-2.7 3,-2.4 -2,-0.5 -53,-0.2 -0.980 72.1 -29.6-131.1 112.5 27.0 -15.2 33.4 67 67 A A T 3 S- 0 0 41 -55,-2.2 -54,-0.1 -2,-0.5 -1,-0.1 0.832 128.7 -43.8 45.4 41.1 27.6 -18.8 32.3 68 68 A G T 3 S+ 0 0 48 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.182 116.3 113.4 97.8 -17.0 24.6 -20.0 34.4 69 69 A H E < - J 0 66B 61 -3,-2.4 -3,-2.7 1,-0.0 -1,-0.2 -0.780 61.6-136.0 -98.2 130.7 25.4 -17.9 37.5 70 70 A K E + J 0 65B 130 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.449 29.6 171.2 -78.1 137.9 23.0 -15.0 38.5 71 71 A A E - J 0 64B 3 -7,-2.4 -7,-2.0 -2,-0.2 2,-0.3 -0.943 18.2-157.8-139.6 159.4 24.8 -11.8 39.5 72 72 A I E + J 0 63B 99 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.954 42.1 90.2-139.3 125.6 23.4 -8.3 40.2 73 73 A G E S- J 0 62B 16 -11,-2.1 -11,-2.7 -2,-0.3 2,-0.3 -0.968 70.5 -23.0 178.6-160.1 25.5 -5.2 40.0 74 74 A T E - 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