==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-JUL-07 2QNN . COMPND 2 MOLECULE: GAG-POL POLYPROTEIN (PR160GAG-POL); . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.BOETTCHER,A.BLUM,A.HEINE,W.E.DIEDERICH,G.KLEBE . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9737.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 64.6 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 . 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 . 23 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 5.6 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 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 3 2 0 0 3 0 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 85 0, 0.0 198,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 165.5 29.4 -4.1 -18.2 2 2 A Q E -A 198 0A 138 196,-0.2 2,-0.6 194,-0.0 196,-0.2 -0.981 360.0-157.3-112.9 116.2 29.3 -6.5 -21.2 3 3 A I E -A 197 0A 30 194,-3.5 194,-2.1 -2,-0.5 2,-0.1 -0.868 4.9-141.5-109.4 125.2 28.2 -9.9 -20.0 4 4 A T - 0 0 53 -2,-0.6 3,-0.2 192,-0.2 192,-0.1 -0.362 4.8-145.7 -72.0 154.0 29.1 -13.1 -22.0 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.1 -1,-0.1 0.167 75.7 101.2-111.1 15.4 26.6 -15.9 -22.4 6 6 A W S S+ 0 0 182 185,-0.1 2,-0.3 184,-0.1 -1,-0.1 0.849 96.7 24.1 -59.4 -33.8 29.2 -18.7 -22.4 7 7 A Q S S- 0 0 123 -3,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.826 112.1 -73.3-121.1 165.8 28.2 -19.2 -18.7 8 8 A R - 0 0 114 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.378 51.4-115.7 -58.1 136.5 25.1 -18.4 -16.9 9 9 A P + 0 0 3 0, 0.0 15,-2.8 0, 0.0 2,-0.4 -0.551 50.2 171.7 -80.0 80.2 24.9 -14.6 -16.4 10 10 A L E +D 23 0B 68 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.758 3.7 170.3 -95.8 134.0 25.1 -14.6 -12.7 11 11 A V E -D 22 0B 17 11,-2.8 11,-2.8 -2,-0.4 2,-0.4 -0.916 34.5-103.8-136.7 164.9 25.5 -11.4 -10.7 12 12 A T E -D 21 0B 85 -2,-0.3 55,-1.5 9,-0.2 2,-0.3 -0.772 37.2-177.3 -92.0 134.2 25.4 -10.2 -7.1 13 13 A I E -DE 20 66B 2 7,-3.0 7,-2.6 -2,-0.4 2,-0.4 -0.871 18.4-143.4-124.7 161.2 22.4 -8.4 -5.9 14 14 A K E +DE 19 65B 95 51,-2.2 51,-2.7 -2,-0.3 2,-0.3 -0.999 29.0 157.4-126.8 125.9 21.4 -6.7 -2.6 15 15 A I E > -D 18 0B 2 3,-2.0 3,-2.6 -2,-0.4 49,-0.1 -0.983 67.4 -2.6-149.4 134.4 17.9 -6.9 -1.3 16 16 A G T 3 S- 0 0 59 47,-0.5 3,-0.1 -2,-0.3 21,-0.1 0.821 128.7 -58.1 52.7 32.7 16.4 -6.5 2.1 17 17 A G T 3 S+ 0 0 68 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.606 114.7 116.4 76.4 7.3 20.0 -6.2 3.5 18 18 A Q E < -D 15 0B 79 -3,-2.6 -3,-2.0 2,-0.0 2,-0.5 -0.901 60.3-139.4-111.5 135.0 20.9 -9.6 2.1 19 19 A L E +D 14 0B 135 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.835 33.7 172.9 -85.9 134.2 23.6 -10.3 -0.6 20 20 A K E -D 13 0B 28 -7,-2.6 -7,-3.0 -2,-0.5 2,-0.4 -0.925 33.4-122.5-137.1 156.6 22.3 -12.9 -3.1 21 21 A E E +D 12 0B 124 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.844 38.4 177.8 -93.6 135.2 23.4 -14.4 -6.4 22 22 A A E -D 11 0B 0 -11,-2.8 -11,-2.8 -2,-0.4 2,-0.4 -0.995 28.9-120.0-148.1 152.2 20.9 -14.1 -9.2 23 23 A L E -Df 10 84B 4 60,-3.0 62,-2.8 -2,-0.3 2,-0.8 -0.730 22.2-132.2 -92.0 126.5 20.5 -14.9 -12.9 24 24 A L E - f 0 85B 0 -15,-2.8 2,-0.6 -2,-0.4 62,-0.2 -0.707 36.6-174.3 -79.3 110.5 20.0 -12.1 -15.4 25 25 A D > - 0 0 16 60,-2.8 3,-1.3 -2,-0.8 62,-0.3 -0.869 27.6-178.0-125.4 101.0 17.0 -13.6 -17.3 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.633 85.7 61.7 -73.1 -13.9 15.5 -12.0 -20.4 27 27 A G T 3 S+ 0 0 18 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.589 87.3 85.9 -86.3 -11.1 12.9 -14.7 -20.7 28 28 A A < - 0 0 18 -3,-1.3 59,-3.0 57,-0.2 60,-0.3 -0.807 61.7-160.6 -90.3 122.0 11.4 -13.9 -17.2 29 29 A D S S+ 0 0 58 -2,-0.5 59,-1.6 57,-0.2 2,-0.3 0.938 79.4 24.1 -63.5 -42.9 8.8 -11.1 -17.3 30 30 A D S S- 0 0 43 57,-0.2 2,-0.2 56,-0.1 57,-0.2 -0.864 91.0 -97.5-124.7 156.6 9.2 -10.5 -13.6 31 31 A T E -g 75 0B 0 43,-0.6 45,-2.8 -2,-0.3 2,-0.4 -0.480 35.5-166.3 -67.8 133.7 11.9 -11.0 -11.0 32 32 A V E -gH 76 84B 9 52,-2.0 52,-3.1 43,-0.2 2,-0.3 -0.986 5.6-174.9-133.6 119.0 11.6 -14.2 -8.9 33 33 A L E -g 77 0B 0 43,-2.9 45,-2.3 -2,-0.4 47,-0.2 -0.838 30.6-100.1-115.6 152.4 13.6 -14.8 -5.7 34 34 A E S S- 0 0 78 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.121 70.3 -55.2 -57.0 162.7 13.9 -17.8 -3.3 35 35 A E S S+ 0 0 115 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.118 80.5 135.8 -55.5 131.2 11.9 -17.7 -0.1 36 36 A M - 0 0 14 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.956 53.7 -94.6-164.0 162.6 12.7 -14.6 2.0 37 37 A S + 0 0 102 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.750 38.8 177.1 -87.3 134.6 10.9 -11.9 4.0 38 38 A L - 0 0 20 -2,-0.4 2,-0.1 2,-0.1 24,-0.0 -0.982 28.1-110.9-133.5 153.3 10.0 -8.6 2.3 39 39 A P S S+ 0 0 97 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.454 70.1 27.4 -82.0 154.3 8.2 -5.6 3.7 40 40 A G S S- 0 0 64 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.360 93.7 -33.0 99.2-177.8 4.8 -4.4 2.7 41 41 A R - 0 0 90 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.430 55.9-174.6 -77.1 154.6 1.6 -5.9 1.3 42 42 A W E -I 59 0B 130 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.960 13.3-154.8-143.4 165.8 1.6 -8.8 -1.1 43 43 A K E -I 58 0B 111 15,-1.5 15,-2.9 -2,-0.3 2,-0.1 -0.990 28.8-103.1-138.9 149.0 -0.7 -10.9 -3.2 44 44 A P E +I 57 0B 77 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.368 39.9 170.5 -74.2 152.3 -0.6 -14.4 -4.5 45 45 A K E -I 56 0B 76 11,-2.1 11,-3.0 -2,-0.1 2,-0.4 -0.980 25.8-133.8-148.9 155.9 0.3 -15.3 -8.1 46 46 A M E -I 55 0B 111 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.962 20.6-175.9-113.0 135.6 1.1 -18.4 -10.2 47 47 A I E -I 54 0B 31 7,-2.3 7,-2.5 -2,-0.4 2,-0.3 -0.950 10.2-178.3-126.4 153.4 4.0 -18.5 -12.6 48 48 A G E +I 53 0B 37 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.928 20.4 134.6-151.9 167.8 4.9 -21.3 -14.9 49 49 A G E > +I 52 0B 21 3,-1.7 3,-2.5 -2,-0.3 100,-0.1 -0.867 68.1 2.3-179.2-153.7 7.1 -22.8 -17.5 50 50 A I T 3 S+ 0 0 18 1,-0.3 101,-2.1 -2,-0.3 102,-0.7 -0.326 131.1 22.1 -56.2 129.3 8.7 -26.2 -18.1 51 51 A G T 3 S- 0 0 35 128,-0.3 2,-0.3 100,-0.3 -1,-0.3 0.256 122.2 -86.5 97.5 -11.4 7.7 -28.6 -15.4 52 52 A G E < -I 49 0B 27 -3,-2.5 -3,-1.7 100,-0.1 2,-0.3 -0.749 60.9 -38.4 114.5-161.7 4.5 -26.6 -14.5 53 53 A F E -I 48 0B 140 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.3 -0.731 36.3-160.6-109.2 156.1 3.6 -23.8 -12.2 54 54 A I E -I 47 0B 21 -7,-2.5 -7,-2.3 -2,-0.3 2,-0.4 -0.951 23.3-118.7-127.2 153.9 4.5 -22.6 -8.8 55 55 A K E +I 46 0B 141 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.751 37.3 176.1 -89.9 137.0 2.7 -20.2 -6.4 56 56 A V E -I 45 0B 3 -11,-3.0 -11,-2.1 -2,-0.4 2,-0.5 -0.895 31.1-116.9-133.7 163.6 4.6 -17.1 -5.4 57 57 A R E -IJ 44 77B 49 20,-2.6 20,-2.2 -2,-0.3 2,-0.7 -0.919 28.0-142.3-102.4 127.5 4.0 -14.0 -3.3 58 58 A Q E -IJ 43 76B 28 -15,-2.9 -15,-1.5 -2,-0.5 2,-0.4 -0.833 19.1-178.3 -96.4 115.1 4.0 -10.7 -5.3 59 59 A Y E -IJ 42 75B 11 16,-2.7 16,-2.7 -2,-0.7 3,-0.3 -0.925 12.0-153.7-106.9 134.6 5.5 -7.7 -3.6 60 60 A D E + 0 0 74 -19,-0.5 14,-0.2 -2,-0.4 -19,-0.1 -0.659 66.0 23.4-107.3 166.3 5.5 -4.3 -5.4 61 61 A Q E S+ 0 0 173 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.875 77.9 160.3 49.0 48.9 7.8 -1.3 -5.2 62 62 A I E - J 0 73B 14 11,-2.4 11,-2.2 -3,-0.3 2,-0.4 -0.808 36.8-128.7 -95.8 140.3 10.8 -3.2 -3.8 63 63 A L E + J 0 72B 79 -2,-0.4 -47,-0.5 9,-0.2 2,-0.4 -0.744 29.7 174.0 -86.7 127.0 14.4 -1.8 -4.0 64 64 A I E - J 0 71B 0 7,-2.9 7,-2.4 -2,-0.4 2,-0.5 -0.999 22.5-146.7-131.1 136.9 17.1 -4.0 -5.4 65 65 A E E -EJ 14 70B 68 -51,-2.7 -51,-2.2 -2,-0.4 2,-0.5 -0.936 18.0-175.7-100.8 127.4 20.7 -3.1 -6.1 66 66 A I E > S-EJ 13 69B 0 3,-2.8 3,-2.2 -2,-0.5 -53,-0.2 -0.974 71.7 -25.2-124.8 105.7 22.1 -5.0 -9.1 67 67 A C T 3 S- 0 0 56 -55,-1.5 3,-0.1 -2,-0.5 -1,-0.1 0.896 128.0 -47.9 55.1 40.3 25.8 -4.4 -9.9 68 68 A G T 3 S+ 0 0 68 1,-0.2 2,-0.6 -54,-0.0 -1,-0.3 0.335 116.1 119.4 83.3 -7.0 25.7 -1.1 -8.1 69 69 A H E < - J 0 66B 63 -3,-2.2 -3,-2.8 2,-0.0 2,-0.4 -0.811 57.1-144.5 -94.0 127.0 22.6 -0.1 -10.0 70 70 A K E + J 0 65B 67 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.687 24.9 175.6 -87.3 139.8 19.6 0.6 -7.8 71 71 A A E - J 0 64B 2 -7,-2.4 -7,-2.9 -2,-0.4 2,-0.4 -0.995 17.9-150.7-145.3 141.4 16.3 -0.5 -9.4 72 72 A I E + J 0 63B 96 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.924 40.8 95.8-116.6 137.1 12.7 -0.4 -8.0 73 73 A G E - 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