==== 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 3TOH . COMPND 2 MOLECULE: GAG-POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 (B . AUTHOR S.GEREMIA,F.M..OLAJUYIGBE,N.DEMITRI . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10018.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 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 . 6 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 21 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 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 RESIDUES PER ALPHA HELIX . 0 3 1 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 . 2 2 3 0 0 2 1 3 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 1 0 0 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 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 89 0, 0.0 198,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 165.9 13.6 14.2 29.3 2 2 A Q E -A 198 0A 125 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.987 360.0-164.5-120.8 133.7 17.1 14.3 28.0 3 3 A I E -A 197 0A 32 194,-3.0 194,-2.7 -2,-0.4 2,-0.1 -0.971 7.4-151.7-123.4 118.1 17.8 15.2 24.4 4 4 A T - 0 0 65 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.313 15.6-130.0 -81.4 171.6 21.2 14.5 22.8 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.178 74.0 108.7-119.5 18.4 22.6 16.6 20.0 6 6 A W S S+ 0 0 181 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.828 94.5 20.0 -60.2 -35.5 23.7 14.1 17.4 7 7 A K S S- 0 0 169 -3,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.817 113.4 -66.4-125.3 168.4 20.7 15.3 15.3 8 8 A R - 0 0 127 -2,-0.3 2,-2.1 1,-0.1 119,-0.1 -0.366 52.5-118.2 -55.2 133.9 18.7 18.5 15.5 9 9 A P + 0 0 3 0, 0.0 15,-2.7 0, 0.0 2,-0.4 -0.474 49.8 169.1 -80.7 77.3 16.7 18.6 18.8 10 10 A L E +D 23 0B 82 -2,-2.1 2,-0.3 13,-0.2 13,-0.2 -0.718 6.6 172.3 -92.7 136.3 13.3 18.6 17.2 11 11 A V E -D 22 0B 16 11,-2.5 11,-2.6 -2,-0.4 2,-0.4 -0.894 36.6 -97.3-134.8 164.1 10.1 18.1 19.3 12 12 A T E -D 21 0B 72 -2,-0.3 55,-2.8 9,-0.2 56,-0.3 -0.718 40.8-173.6 -82.6 136.0 6.4 18.3 18.8 13 13 A I E -DE 20 66B 1 7,-3.1 7,-2.3 -2,-0.4 2,-0.4 -0.866 17.5-143.9-120.7 161.5 4.7 21.5 19.8 14 14 A K E +DE 19 65B 99 51,-2.2 51,-2.4 -2,-0.3 2,-0.3 -0.996 30.0 158.0-127.0 122.9 1.1 22.6 19.9 15 15 A I E > -DE 18 64B 1 3,-2.6 3,-2.1 -2,-0.4 49,-0.1 -0.991 65.3 -2.7-146.0 133.2 0.3 26.2 19.0 16 16 A G T 3 S- 0 0 54 47,-0.7 3,-0.1 -2,-0.3 48,-0.1 0.778 129.6 -55.9 59.5 25.6 -3.0 27.8 17.8 17 17 A G T 3 S+ 0 0 61 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.557 117.6 107.3 81.6 11.4 -4.7 24.4 17.8 18 18 A Q E < -D 15 0B 96 -3,-2.1 -3,-2.6 2,-0.0 2,-0.4 -0.928 64.4-132.0-124.8 145.3 -2.0 22.8 15.4 19 19 A L E +D 14 0B 125 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.813 34.7 165.0 -93.3 135.7 0.8 20.4 16.0 20 20 A K E -D 13 0B 25 -7,-2.3 -7,-3.1 -2,-0.4 2,-0.4 -0.910 36.4-114.7-139.8 164.5 4.2 21.3 14.5 21 21 A E E +D 12 0B 110 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.888 38.8 180.0-102.5 138.1 7.8 20.2 14.8 22 22 A A E -D 11 0B 0 -11,-2.6 -11,-2.5 -2,-0.4 2,-0.4 -0.985 27.1-117.7-142.1 155.7 10.2 22.7 16.3 23 23 A L E -Df 10 84B 10 60,-3.1 62,-3.1 -2,-0.3 2,-0.8 -0.741 21.1-133.3 -94.5 126.9 13.8 23.0 17.2 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.4 62,-0.2 -0.725 34.5-171.6 -79.9 113.1 14.9 23.6 20.9 25 25 A D > + 0 0 16 60,-2.9 3,-1.7 -2,-0.8 62,-0.3 -0.858 29.2 179.3-123.7 97.5 17.4 26.4 20.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.687 86.9 62.4 -66.2 -17.3 19.6 27.7 23.1 27 27 A G T 3 S+ 0 0 20 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.305 88.6 86.7 -88.0 5.1 21.1 30.1 20.7 28 28 A A < - 0 0 14 -3,-1.7 59,-3.0 57,-0.2 60,-0.2 -0.926 54.5-167.0-110.7 127.4 17.8 31.9 20.1 29 29 A D S S+ 0 0 53 -2,-0.5 59,-1.0 57,-0.2 2,-0.2 0.851 78.7 37.1 -69.6 -34.8 16.6 34.7 22.3 30 30 A D S S- 0 0 55 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.685 82.6-112.5-120.4 164.4 13.1 34.5 20.8 31 31 A T - 0 0 0 43,-0.5 45,-2.8 -2,-0.2 2,-0.5 -0.884 31.5-170.2-102.8 129.4 10.7 31.9 19.5 32 32 A V E -gH 76 84B 7 52,-1.9 52,-3.2 -2,-0.5 2,-0.4 -0.981 2.5-172.9-131.2 118.0 10.0 32.0 15.8 33 33 A I E -g 77 0B 0 43,-3.3 45,-2.2 -2,-0.5 47,-0.2 -0.874 30.9 -98.1-117.6 143.0 7.3 30.0 14.2 34 34 A E E -g 78 0B 78 -2,-0.4 -1,-0.1 43,-0.2 49,-0.0 -0.147 64.1 -66.5 -50.4 148.6 6.5 29.5 10.5 35 35 A E S S+ 0 0 101 43,-0.8 2,-0.3 45,-0.1 -1,-0.2 -0.085 71.5 154.5 -40.6 123.1 3.7 31.6 8.9 36 36 A M - 0 0 13 -3,-0.2 2,-1.6 2,-0.0 -3,-0.1 -0.971 51.6-107.2-155.0 154.0 0.4 30.6 10.5 37 37 A S + 0 0 118 -2,-0.3 -2,-0.1 -21,-0.1 40,-0.0 -0.455 44.9 175.8 -87.4 66.3 -2.9 32.5 10.9 38 38 A L - 0 0 15 -2,-1.6 2,-0.1 1,-0.1 -2,-0.0 -0.439 30.5-113.5 -69.0 143.0 -2.8 33.2 14.7 39 39 A P + 0 0 109 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.392 64.6 17.1 -75.7 154.2 -5.7 35.3 15.9 40 40 A G S S- 0 0 61 -2,-0.1 2,-0.0 19,-0.0 -2,-0.0 -0.253 91.6 -16.9 93.2-172.9 -5.6 38.8 17.3 41 41 A R + 0 0 248 -2,-0.1 19,-0.3 19,-0.0 2,-0.3 -0.293 54.4 171.5 -75.5 157.0 -3.4 41.8 17.5 42 42 A W - 0 0 121 17,-0.1 17,-0.2 -2,-0.0 15,-0.0 -0.937 24.5-128.7-154.7 168.4 0.4 41.8 16.8 43 43 A K E -I 58 0B 142 15,-1.8 15,-2.9 -2,-0.3 13,-0.1 -0.987 29.9-109.1-127.6 136.3 3.3 44.2 16.4 44 44 A P E +I 57 0B 76 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.357 44.8 168.7 -61.3 142.5 5.8 44.3 13.5 45 45 A K E -I 56 0B 73 11,-2.1 11,-2.8 2,-0.0 2,-0.4 -0.981 27.4-144.6-149.7 154.9 9.3 43.2 14.4 46 46 A M E -I 55 0B 116 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.994 18.5-172.9-122.4 136.1 12.6 42.3 12.6 47 47 A I E -I 54 0B 19 7,-2.2 7,-2.6 -2,-0.4 2,-0.3 -0.935 6.5-168.4-126.5 149.9 14.8 39.6 13.9 48 48 A G E +I 53 0B 39 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.796 22.4 135.4-131.8 173.1 18.3 38.6 12.7 49 49 A G E > -I 52 0B 24 3,-1.7 3,-1.9 -2,-0.3 2,-0.1 -0.893 68.9 -0.5 179.0-145.6 21.1 36.2 12.8 50 50 A I T 3 S+ 0 0 20 -2,-0.3 101,-2.3 1,-0.3 102,-0.7 -0.420 131.9 20.6 -63.4 129.7 23.4 34.6 10.3 51 51 A G T 3 S- 0 0 32 100,-0.2 2,-0.3 99,-0.2 -1,-0.3 0.104 120.5 -85.5 100.9 -20.6 22.4 35.9 6.8 52 52 A G E < -I 49 0B 26 -3,-1.9 -3,-1.7 100,-0.2 2,-0.3 -0.909 64.8 -30.9 123.0-151.2 20.6 39.0 8.0 53 53 A F E -I 48 0B 148 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.765 36.6-162.1-116.5 152.3 17.1 39.9 9.1 54 54 A I E -I 47 0B 25 -7,-2.6 -7,-2.2 -2,-0.3 2,-0.5 -0.937 25.8-117.0-126.4 154.3 13.6 38.7 8.5 55 55 A K E +I 46 0B 118 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.794 40.0 171.8 -94.0 132.4 10.3 40.5 9.2 56 56 A V E -I 45 0B 3 -11,-2.8 -11,-2.1 -2,-0.5 2,-0.5 -0.830 33.9-116.8-135.3 164.5 7.9 38.8 11.7 57 57 A R E -IJ 44 77B 48 20,-2.5 20,-2.4 -2,-0.3 2,-0.6 -0.944 27.9-140.7-105.9 125.5 4.7 39.5 13.5 58 58 A Q E -IJ 43 76B 40 -15,-2.9 -15,-1.8 -2,-0.5 2,-0.5 -0.801 19.3-174.8 -91.8 119.1 5.1 39.6 17.3 59 59 A Y E - J 0 75B 8 16,-2.7 16,-2.7 -2,-0.6 3,-0.3 -0.955 11.6-149.4-111.7 130.7 2.2 38.0 19.2 60 60 A D E + 0 0 93 -2,-0.5 14,-0.2 -19,-0.3 13,-0.1 -0.657 68.9 16.2-100.2 156.2 2.1 38.2 23.0 61 61 A Q E S+ 0 0 139 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.867 77.3 170.9 53.7 45.7 0.7 35.8 25.6 62 62 A I E - J 0 73B 26 11,-2.7 11,-2.3 -3,-0.3 2,-0.4 -0.761 31.0-132.8 -88.5 129.7 0.5 32.9 23.2 63 63 A I E + J 0 72B 130 -2,-0.5 -47,-0.7 9,-0.2 2,-0.3 -0.659 36.1 167.9 -81.9 129.1 -0.3 29.5 24.7 64 64 A I E -EJ 15 71B 1 7,-2.5 7,-1.3 -2,-0.4 2,-0.5 -0.970 28.2-147.2-150.1 133.9 2.1 26.8 23.5 65 65 A E E -EJ 14 70B 65 -51,-2.4 -51,-2.2 -2,-0.3 2,-0.5 -0.854 13.6-165.0-104.8 131.3 2.8 23.2 24.5 66 66 A I E > S-EJ 13 69B 0 3,-3.0 3,-2.4 -2,-0.5 -53,-0.2 -0.964 73.5 -28.8-122.5 110.5 6.4 22.0 24.0 67 67 A A T 3 S- 0 0 41 -55,-2.8 -1,-0.1 -2,-0.5 -54,-0.1 0.874 128.9 -46.6 49.7 40.3 7.0 18.3 24.2 68 68 A G T 3 S+ 0 0 52 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.396 115.3 116.9 88.0 -6.8 4.0 18.1 26.6 69 69 A H E < - J 0 66B 67 -3,-2.4 -3,-3.0 1,-0.0 -1,-0.2 -0.858 61.7-131.7 -99.7 124.5 5.1 21.0 28.8 70 70 A K E + J 0 65B 163 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.470 32.8 166.0 -74.4 147.7 2.8 24.1 28.8 71 71 A A E - 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