==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 12-APR-13 4K4R . COMPND 2 MOLECULE: GAG-POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1; . AUTHOR T.TIEFENBRUNN,C.D.STOUT . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10159.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 35.9 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 . 24 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 3.5 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 1 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 0 RESIDUES PER ALPHA HELIX . 0 3 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 3 2 0 0 2 2 2 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,-0.5 0.000 360.0 360.0 360.0-178.3 8.5 -24.0 41.3 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.6 197,-0.2 196,-0.2 -0.993 360.0-160.8-120.7 123.6 10.3 -21.6 38.9 3 3 A I E -A 197 0A 30 194,-3.3 194,-2.6 -2,-0.5 2,-0.1 -0.928 3.5-154.9-117.9 117.7 9.7 -22.2 35.2 4 4 A T - 0 0 93 -2,-0.6 3,-0.2 192,-0.2 192,-0.1 -0.426 16.7-132.9 -78.7 167.7 11.9 -20.9 32.5 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.054 73.3 107.8-117.3 19.1 10.5 -20.4 29.0 6 6 A A S S+ 0 0 79 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.876 95.0 29.4 -66.3 -28.9 13.1 -22.0 26.6 7 7 A K S S- 0 0 167 -3,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.795 113.1 -76.0-117.8 165.1 10.5 -24.7 26.2 8 8 A R - 0 0 135 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.337 48.1-117.2 -58.5 135.3 6.7 -24.5 26.4 9 9 A P + 0 0 3 0, 0.0 15,-3.0 0, 0.0 2,-0.4 -0.500 51.0 166.6 -79.6 74.6 5.6 -24.3 30.1 10 10 A L E +D 23 0B 74 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.758 7.7 176.4 -92.7 136.6 3.7 -27.5 30.2 11 11 A V E -D 22 0B 13 11,-2.9 11,-2.8 -2,-0.4 2,-0.4 -0.840 32.8-103.0-132.3 166.0 2.7 -28.9 33.5 12 12 A T E +D 21 0B 72 -2,-0.3 55,-2.3 9,-0.2 2,-0.3 -0.767 40.7 177.5 -93.9 133.2 0.7 -31.9 34.7 13 13 A I E -DE 20 66B 3 7,-3.2 7,-2.5 -2,-0.4 2,-0.4 -0.900 21.6-139.5-125.8 163.3 -2.8 -31.3 35.9 14 14 A K E +DE 19 65B 97 51,-2.2 51,-2.2 -2,-0.3 2,-0.3 -0.999 33.3 149.8-126.9 131.3 -5.6 -33.5 37.2 15 15 A I E > +D 18 0B 3 3,-2.3 3,-1.9 -2,-0.4 49,-0.1 -0.978 62.2 8.3-159.5 140.3 -9.2 -32.8 36.2 16 16 A G T 3 S- 0 0 37 47,-0.5 21,-0.1 -2,-0.3 3,-0.1 0.855 129.3 -58.9 55.5 34.5 -12.3 -34.9 35.7 17 17 A G T 3 S+ 0 0 61 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.603 116.6 111.6 75.2 11.5 -10.5 -37.9 37.1 18 18 A Q E < -D 15 0B 81 -3,-1.9 -3,-2.3 2,-0.0 2,-0.4 -0.947 63.3-136.2-126.8 140.0 -7.8 -37.7 34.4 19 19 A L E +D 14 0B 131 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.747 38.4 164.2 -87.0 136.2 -4.1 -36.7 34.4 20 20 A K E -D 13 0B 36 -7,-2.5 -7,-3.2 -2,-0.4 2,-0.4 -0.963 37.9-116.1-148.7 161.8 -3.3 -34.4 31.6 21 21 A E E +D 12 0B 100 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.831 37.3 178.0 -99.9 142.1 -0.6 -32.0 30.4 22 22 A A E -D 11 0B 0 -11,-2.8 -11,-2.9 -2,-0.4 2,-0.5 -0.985 27.6-115.4-144.5 155.6 -1.5 -28.3 30.1 23 23 A L E -Df 10 84B 10 60,-3.2 62,-2.9 -2,-0.3 2,-0.7 -0.761 20.0-133.9 -95.3 126.1 0.2 -25.1 29.2 24 24 A L E - f 0 85B 0 -15,-3.0 2,-0.6 -2,-0.5 62,-0.1 -0.690 35.1-172.5 -76.9 112.5 0.6 -22.3 31.7 25 25 A D > - 0 0 18 60,-2.7 3,-1.8 -2,-0.7 62,-0.3 -0.831 28.6-179.0-127.2 98.8 -0.6 -19.4 29.6 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.686 87.2 63.1 -66.1 -19.4 -0.4 -15.8 30.7 27 27 A G T 3 S+ 0 0 24 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.321 86.5 88.1 -88.0 9.5 -2.0 -14.7 27.5 28 28 A A < - 0 0 15 -3,-1.8 59,-2.9 57,-0.2 60,-0.2 -0.945 54.7-166.9-111.1 120.6 -5.3 -16.6 28.3 29 29 A D S S+ 0 0 57 -2,-0.5 59,-1.1 57,-0.2 2,-0.2 0.867 80.9 29.2 -64.3 -40.7 -8.0 -14.8 30.3 30 30 A D S S- 0 0 48 57,-0.2 2,-0.4 56,-0.1 57,-0.2 -0.676 86.9-105.5-121.2 165.0 -9.8 -18.2 30.8 31 31 A T - 0 0 1 43,-0.4 45,-3.1 -2,-0.2 2,-0.5 -0.852 35.6-173.2 -99.4 125.1 -8.8 -22.0 31.0 32 32 A V E -gH 76 84B 8 52,-1.8 52,-3.4 -2,-0.4 2,-0.3 -0.988 0.6-169.4-129.4 120.6 -9.7 -24.0 28.0 33 33 A L E -g 77 0B 0 43,-2.9 45,-2.3 -2,-0.5 47,-0.2 -0.851 27.3-102.3-110.9 154.7 -9.4 -27.8 27.7 34 34 A E - 0 0 81 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.236 69.5 -55.4 -66.7 155.6 -9.5 -30.3 24.9 35 35 A E S S+ 0 0 113 43,-0.4 2,-0.3 45,-0.2 -1,-0.2 0.025 81.0 133.3 -40.1 123.4 -12.8 -32.3 24.5 36 36 A M - 0 0 12 -3,-0.2 2,-0.4 2,-0.0 -20,-0.1 -0.963 55.0 -95.4-165.0 165.8 -13.7 -34.2 27.7 37 37 A N + 0 0 139 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.809 40.8 169.1 -92.9 135.9 -16.6 -34.9 30.0 38 38 A L - 0 0 17 -2,-0.4 2,-0.1 2,-0.2 -2,-0.0 -0.973 36.5-100.9-138.4 155.1 -17.1 -32.8 33.1 39 39 A P S S+ 0 0 97 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.466 75.1 59.8 -75.7 153.1 -20.1 -32.6 35.5 40 40 A G S S- 0 0 63 -2,-0.1 2,-0.8 19,-0.1 -2,-0.2 -0.349 87.3 -83.7 115.6 160.0 -22.7 -29.9 35.3 41 41 A R - 0 0 247 -2,-0.1 17,-0.0 0, 0.0 -1,-0.0 -0.893 60.0-139.6 -99.1 106.8 -25.2 -28.6 32.8 42 42 A W - 0 0 125 -2,-0.8 17,-0.2 17,-0.1 -2,-0.1 -0.162 8.1-139.8 -71.8 164.7 -22.9 -26.2 30.8 43 43 A K E -I 58 0B 113 15,-1.9 15,-2.9 1,-0.0 2,-0.1 -0.905 28.7-106.9-113.2 149.1 -23.5 -22.8 29.5 44 44 A P E +I 57 0B 80 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.390 40.2 178.4 -71.9 152.6 -22.3 -21.6 26.0 45 45 A K E -I 56 0B 68 11,-2.1 11,-3.0 -2,-0.1 2,-0.5 -0.988 21.9-136.3-156.6 145.0 -19.5 -19.2 25.8 46 46 A M E +I 55 0B 102 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.895 21.8 177.3-103.5 135.5 -17.4 -17.5 23.1 47 47 A I E -I 54 0B 19 7,-2.3 7,-2.5 -2,-0.5 2,-0.3 -0.997 11.2-153.9-131.7 152.7 -13.7 -17.2 23.2 48 48 A G E +I 53 0B 49 -2,-0.3 5,-0.3 5,-0.2 2,-0.2 -0.881 20.1 152.6-128.7 149.0 -11.4 -15.7 20.7 49 49 A G E > -I 52 0B 32 3,-2.9 3,-1.7 -2,-0.3 2,-0.2 -0.715 59.0 -38.2-148.4-161.1 -7.8 -16.1 19.7 50 50 A I T 3 S+ 0 0 25 1,-0.3 102,-0.7 -2,-0.2 101,-0.5 -0.479 131.2 28.0 -64.0 136.4 -5.4 -15.8 16.8 51 51 A G T 3 S- 0 0 33 128,-0.3 102,-0.4 100,-0.2 2,-0.3 0.265 124.0 -80.3 97.8 -22.1 -7.5 -17.1 13.8 52 52 A G E < -I 49 0B 30 -3,-1.7 -3,-2.9 100,-0.2 99,-0.3 -0.856 64.1 -28.1 132.7-160.4 -10.9 -16.1 15.3 53 53 A F E -I 48 0B 153 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.690 38.5-170.2 -94.7 148.9 -13.7 -17.2 17.7 54 54 A I E -I 47 0B 27 -7,-2.5 -7,-2.3 -2,-0.3 2,-0.5 -0.928 21.7-130.3-131.6 148.5 -14.8 -20.6 18.9 55 55 A K E +I 46 0B 147 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.885 37.6 171.7 -98.0 133.1 -18.0 -21.5 20.9 56 56 A V E -I 45 0B 6 -11,-3.0 -11,-2.1 -2,-0.5 2,-0.4 -0.824 33.9 -97.9-132.7 174.3 -17.1 -23.6 23.8 57 57 A R E -IJ 44 77B 42 20,-2.4 20,-2.1 -2,-0.3 2,-0.5 -0.869 28.4-146.7-101.8 136.0 -18.8 -25.0 26.9 58 58 A Q E -IJ 43 76B 30 -15,-2.9 -15,-1.9 -2,-0.4 2,-0.5 -0.911 13.5-173.9-105.8 126.5 -18.5 -23.3 30.3 59 59 A Y E - J 0 75B 13 16,-2.8 16,-2.5 -2,-0.5 3,-0.3 -0.980 10.9-158.3-120.1 120.3 -18.4 -25.5 33.4 60 60 A D E + 0 0 64 -2,-0.5 14,-0.2 14,-0.2 13,-0.0 -0.600 66.3 27.2 -95.2 159.8 -18.4 -23.7 36.7 61 61 A Q E S+ 0 0 158 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.858 78.6 160.6 65.0 36.9 -17.3 -24.9 40.1 62 62 A I E - J 0 73B 9 11,-2.6 11,-2.0 -3,-0.3 2,-0.4 -0.765 35.9-131.6 -94.2 137.6 -14.8 -27.5 38.7 63 63 A L E + J 0 72B 126 -2,-0.4 -47,-0.5 9,-0.2 2,-0.3 -0.715 31.1 173.7 -87.3 136.0 -12.0 -28.9 40.8 64 64 A I E - J 0 71B 6 7,-2.7 7,-2.5 -2,-0.4 2,-0.4 -0.997 23.5-152.8-143.9 146.8 -8.6 -28.9 39.4 65 65 A E E -EJ 14 70B 78 -51,-2.2 -51,-2.2 -2,-0.3 2,-0.5 -0.977 10.9-171.5-117.1 127.9 -5.1 -29.7 40.6 66 66 A I E > S-EJ 13 69B 0 3,-2.6 3,-2.2 -2,-0.4 -53,-0.2 -0.960 80.2 -25.1-125.6 109.8 -2.2 -27.9 38.9 67 67 A C T 3 S- 0 0 52 -55,-2.3 -1,-0.2 -2,-0.5 -54,-0.1 0.944 125.9 -56.0 43.8 49.3 1.2 -29.3 39.9 68 68 A G T 3 S+ 0 0 50 -56,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.334 109.5 125.7 69.7 -9.5 -0.6 -30.4 43.1 69 69 A H E < - 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