==== 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 3TOF . COMPND 2 MOLECULE: GAG-POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 (B . AUTHOR S.GEREMIA,F.M.OLAJUYIGBE,J.O.AJELE,N.DEMITRI,L.RANDACCIO,J.W . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10023.0 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 83 0, 0.0 198,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 161.8 13.6 14.2 29.1 2 2 A Q E -A 198 0A 123 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.969 360.0-162.2-117.4 134.4 17.1 14.3 27.9 3 3 A I E -A 197 0A 33 194,-3.0 194,-2.7 -2,-0.5 2,-0.1 -0.968 6.7-151.5-122.1 116.6 17.9 15.2 24.3 4 4 A T - 0 0 67 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.271 15.0-130.5 -77.5 173.8 21.3 14.5 22.7 5 5 A L S S+ 0 0 2 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.181 74.4 107.8-119.6 20.1 22.7 16.6 19.9 6 6 A W S S+ 0 0 181 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.800 94.5 21.3 -60.9 -34.3 23.7 14.0 17.3 7 7 A K S S- 0 0 172 -3,-0.2 0, 0.0 3,-0.0 0, 0.0 -0.840 113.5 -66.9-127.3 165.5 20.8 15.2 15.2 8 8 A R - 0 0 129 -2,-0.3 2,-2.1 1,-0.1 119,-0.1 -0.355 53.8-117.6 -53.6 131.9 18.7 18.5 15.3 9 9 A P + 0 0 3 0, 0.0 15,-2.7 0, 0.0 2,-0.4 -0.475 50.5 169.2 -77.7 77.1 16.8 18.5 18.6 10 10 A L E +D 23 0B 78 -2,-2.1 2,-0.3 13,-0.2 13,-0.2 -0.723 6.5 169.9 -93.7 137.6 13.3 18.5 17.1 11 11 A V E -D 22 0B 15 11,-2.5 11,-2.6 -2,-0.4 2,-0.4 -0.908 37.7 -95.9-134.7 168.2 10.2 18.0 19.2 12 12 A T E -D 21 0B 69 -2,-0.3 55,-2.9 9,-0.2 56,-0.3 -0.724 40.1-172.2 -85.9 138.1 6.5 18.3 18.7 13 13 A I E -DE 20 66B 1 7,-2.9 7,-2.4 -2,-0.4 2,-0.4 -0.854 16.8-143.2-119.8 160.0 4.8 21.5 19.7 14 14 A K E +DE 19 65B 98 51,-2.3 51,-2.6 -2,-0.3 2,-0.3 -0.998 31.7 155.9-121.8 124.8 1.2 22.5 19.9 15 15 A I E > -DE 18 64B 1 3,-2.8 3,-2.1 -2,-0.4 49,-0.1 -0.982 64.5 -1.3-148.3 135.6 0.3 26.1 19.0 16 16 A G T 3 S- 0 0 50 47,-0.7 3,-0.1 -2,-0.3 48,-0.1 0.755 129.4 -57.7 61.9 22.5 -2.8 27.8 17.7 17 17 A G T 3 S+ 0 0 63 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.531 117.1 107.0 77.5 12.2 -4.5 24.4 17.8 18 18 A Q E < -D 15 0B 97 -3,-2.1 -3,-2.8 2,-0.0 2,-0.4 -0.912 65.1-130.1-124.9 149.8 -2.0 22.8 15.4 19 19 A L E +D 14 0B 124 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.816 35.6 164.0 -98.3 132.0 0.8 20.3 15.9 20 20 A K E -D 13 0B 26 -7,-2.4 -7,-2.9 -2,-0.4 2,-0.4 -0.908 36.7-115.1-138.2 165.3 4.2 21.2 14.5 21 21 A E E +D 12 0B 110 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.910 38.3 179.3-101.9 140.1 7.8 20.1 14.8 22 22 A A E -D 11 0B 0 -11,-2.6 -11,-2.5 -2,-0.4 2,-0.5 -0.977 27.9-116.2-142.5 159.6 10.3 22.6 16.2 23 23 A L E -Df 10 84B 10 60,-3.5 62,-3.1 -2,-0.3 2,-0.8 -0.760 21.7-133.8 -97.0 126.6 13.9 23.0 17.1 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.5 62,-0.2 -0.754 34.2-172.8 -79.1 115.5 15.0 23.5 20.7 25 25 A D > + 0 0 16 60,-2.7 3,-2.0 -2,-0.8 62,-0.3 -0.856 28.5 178.9-123.8 99.5 17.5 26.4 20.2 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.660 87.4 62.5 -68.1 -13.9 19.6 27.7 23.0 27 27 A G T 3 S+ 0 0 19 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.367 88.2 85.9 -90.5 4.6 21.2 30.1 20.5 28 28 A A < - 0 0 15 -3,-2.0 59,-3.2 57,-0.2 60,-0.2 -0.928 55.6-166.6-110.2 126.3 17.8 31.9 19.9 29 29 A D S S+ 0 0 52 -2,-0.5 59,-1.1 57,-0.2 2,-0.2 0.855 79.8 37.3 -69.7 -32.8 16.7 34.7 22.2 30 30 A D S S- 0 0 57 57,-0.2 2,-0.4 56,-0.1 57,-0.2 -0.661 83.4-113.9-120.9 167.0 13.2 34.5 20.6 31 31 A T - 0 0 0 43,-0.5 45,-2.5 -2,-0.2 2,-0.4 -0.900 31.2-170.3-106.8 129.0 10.8 31.8 19.4 32 32 A V E -gH 76 84B 6 52,-1.9 52,-3.2 -2,-0.4 2,-0.4 -0.988 2.7-172.5-129.7 118.2 10.1 32.0 15.6 33 33 A I E -g 77 0B 0 43,-3.1 45,-2.2 -2,-0.4 3,-0.2 -0.901 31.1 -95.6-119.6 145.3 7.4 29.9 14.0 34 34 A E E -g 78 0B 79 -2,-0.4 -1,-0.1 43,-0.2 49,-0.0 -0.111 65.7 -67.1 -49.4 148.2 6.5 29.3 10.3 35 35 A E S S+ 0 0 101 43,-0.6 2,-0.3 45,-0.1 -1,-0.2 -0.112 71.3 157.0 -45.4 126.1 3.8 31.5 8.8 36 36 A M - 0 0 13 -3,-0.2 2,-1.7 2,-0.0 -3,-0.1 -0.969 50.0-109.3-153.6 152.2 0.5 30.6 10.5 37 37 A S + 0 0 117 -2,-0.3 -2,-0.1 -21,-0.1 40,-0.0 -0.455 44.2 177.0 -85.7 62.8 -2.8 32.5 10.9 38 38 A L - 0 0 14 -2,-1.7 2,-0.1 1,-0.1 -2,-0.0 -0.378 29.8-113.1 -63.4 141.8 -2.8 33.2 14.7 39 39 A P + 0 0 107 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.396 65.1 16.9 -73.9 150.5 -5.7 35.2 15.9 40 40 A G S S- 0 0 61 -2,-0.1 2,-0.1 19,-0.0 -2,-0.0 -0.291 91.3 -16.0 100.9-174.5 -5.5 38.7 17.3 41 41 A R + 0 0 244 -2,-0.1 19,-0.3 19,-0.0 2,-0.3 -0.299 54.5 172.2 -76.3 153.6 -3.3 41.7 17.5 42 42 A W - 0 0 122 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.966 24.6-131.6-154.4 163.8 0.4 41.7 16.7 43 43 A K E -I 58 0B 140 15,-1.8 15,-3.3 -2,-0.3 13,-0.0 -0.975 30.5-110.2-123.7 137.2 3.3 44.2 16.3 44 44 A P E +I 57 0B 80 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.371 44.1 171.4 -62.5 143.0 5.8 44.2 13.3 45 45 A K E -I 56 0B 72 11,-2.1 11,-2.7 2,-0.0 2,-0.4 -0.973 27.0-143.9-147.6 153.2 9.3 43.1 14.2 46 46 A M E -I 55 0B 119 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.994 18.6-171.8-120.6 133.5 12.6 42.3 12.4 47 47 A I E -I 54 0B 16 7,-2.2 7,-2.6 -2,-0.4 2,-0.3 -0.951 6.6-156.7-120.4 153.8 14.9 39.6 13.8 48 48 A G E +I 53 0B 39 -2,-0.4 2,-0.3 5,-0.3 5,-0.2 -0.779 23.3 142.3-129.1 165.4 18.3 38.7 12.6 49 49 A G E > -I 52 0B 23 3,-2.0 3,-1.6 -2,-0.3 2,-0.3 -0.834 66.8 -22.5-168.6-152.6 20.8 35.9 12.5 50 50 A I T 3 S+ 0 0 20 -2,-0.3 101,-2.1 1,-0.2 102,-0.7 -0.542 132.1 29.5 -70.6 130.3 23.4 34.6 10.1 51 51 A G T 3 S- 0 0 34 -2,-0.3 2,-0.3 100,-0.3 -1,-0.2 0.044 120.9 -89.1 113.2 -28.9 22.4 35.9 6.7 52 52 A G E < -I 49 0B 27 -3,-1.6 -3,-2.0 100,-0.2 2,-0.3 -0.914 64.2 -29.7 123.5-151.1 20.7 39.0 7.9 53 53 A F E -I 48 0B 148 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.3 -0.785 37.2-162.2-115.1 155.9 17.2 39.9 9.0 54 54 A I E -I 47 0B 26 -7,-2.6 -7,-2.2 -2,-0.3 2,-0.5 -0.941 25.9-116.9-129.8 156.8 13.6 38.8 8.3 55 55 A K E +I 46 0B 115 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.783 40.8 170.2 -96.1 130.8 10.3 40.5 9.0 56 56 A V E -I 45 0B 3 -11,-2.7 -11,-2.1 -2,-0.5 2,-0.5 -0.789 34.8-115.3-136.7 166.2 8.0 38.8 11.5 57 57 A R E -IJ 44 77B 51 20,-2.6 20,-2.7 -2,-0.3 2,-0.6 -0.956 27.8-140.6-108.1 124.5 4.8 39.4 13.3 58 58 A Q E -IJ 43 76B 38 -15,-3.3 -15,-1.8 -2,-0.5 2,-0.5 -0.810 18.8-174.8 -90.4 122.9 5.1 39.5 17.2 59 59 A Y E - J 0 75B 8 16,-3.0 16,-2.8 -2,-0.6 3,-0.4 -0.948 12.5-148.0-112.0 130.5 2.2 37.9 19.1 60 60 A D E + 0 0 88 -2,-0.5 14,-0.2 -19,-0.3 13,-0.1 -0.611 69.1 14.5 -97.8 155.4 2.2 38.1 22.9 61 61 A Q E S+ 0 0 140 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.862 77.0 168.7 55.8 45.0 0.9 35.7 25.5 62 62 A I E - J 0 73B 25 11,-2.9 11,-2.4 -3,-0.4 2,-0.5 -0.765 32.3-132.3 -89.3 132.5 0.6 32.8 23.1 63 63 A I E + J 0 72B 120 -2,-0.4 -47,-0.7 9,-0.2 2,-0.4 -0.730 33.9 171.5 -83.9 124.7 -0.0 29.4 24.7 64 64 A I E -EJ 15 71B 2 7,-2.1 7,-2.3 -2,-0.5 2,-0.5 -0.998 25.5-148.4-132.4 140.7 2.3 26.8 23.3 65 65 A E E -EJ 14 70B 65 -51,-2.6 -51,-2.3 -2,-0.4 2,-0.5 -0.950 14.7-166.8-107.3 131.4 2.9 23.2 24.4 66 66 A I E > S-EJ 13 69B 0 3,-3.0 3,-2.4 -2,-0.5 -53,-0.2 -0.961 72.2 -26.6-122.6 111.4 6.5 22.0 23.8 67 67 A A T 3 S- 0 0 37 -55,-2.9 -1,-0.2 -2,-0.5 -54,-0.1 0.884 129.6 -47.6 52.0 38.0 7.2 18.2 24.1 68 68 A G T 3 S+ 0 0 51 -56,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.370 115.4 116.8 84.8 -6.1 4.2 18.1 26.5 69 69 A H E < - J 0 66B 69 -3,-2.4 -3,-3.0 24,-0.0 -1,-0.2 -0.873 61.4-133.0-100.6 120.0 5.2 21.1 28.7 70 70 A K E + J 0 65B 156 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.422 31.5 169.7 -67.3 143.7 2.8 24.1 28.6 71 71 A A E - 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