==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-JUL-07 2QNQ . 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) . 9711.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 6.1 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 . 25 12.6 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 4 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 . 2 4 1 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 93 0, 0.0 198,-1.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 163.5 0.8 4.0 -5.0 2 2 A Q E -A 198 0A 139 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.967 360.0-156.3-113.5 120.1 0.5 6.5 -2.1 3 3 A I E -A 197 0A 31 194,-2.9 194,-2.3 -2,-0.5 2,-0.1 -0.868 5.6-141.8-106.5 125.5 -0.5 10.0 -3.2 4 4 A T - 0 0 60 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.327 5.9-144.1 -75.4 159.5 0.4 13.1 -1.1 5 5 A L S S+ 0 0 0 190,-0.4 186,-0.2 1,-0.1 185,-0.1 0.187 75.8 102.2-110.8 15.6 -2.0 16.0 -0.8 6 6 A W S S+ 0 0 183 185,-0.1 2,-0.3 184,-0.1 -1,-0.1 0.830 97.4 23.5 -64.0 -30.1 0.6 18.7 -0.8 7 7 A Q S S- 0 0 125 -3,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.825 111.9 -73.7-127.6 166.4 -0.5 19.2 -4.4 8 8 A R - 0 0 139 -2,-0.3 2,-2.2 1,-0.1 119,-0.1 -0.405 51.6-115.3 -61.6 135.9 -3.7 18.4 -6.2 9 9 A P + 0 0 2 0, 0.0 15,-2.5 0, 0.0 2,-0.4 -0.474 49.9 171.2 -75.9 76.2 -3.9 14.6 -6.7 10 10 A L E +D 23 0B 70 -2,-2.2 2,-0.3 13,-0.2 13,-0.2 -0.757 2.8 170.8 -92.5 131.0 -3.7 14.7 -10.5 11 11 A V E -D 22 0B 17 11,-2.7 11,-2.9 -2,-0.4 2,-0.3 -0.844 33.7-104.0-132.0 169.3 -3.3 11.4 -12.4 12 12 A T E -D 21 0B 87 -2,-0.3 55,-1.6 9,-0.2 2,-0.3 -0.735 36.4-176.9 -95.9 144.1 -3.4 10.2 -16.0 13 13 A I E -DE 20 66B 2 7,-2.7 7,-2.4 -2,-0.3 2,-0.4 -0.922 19.0-142.5-135.9 161.0 -6.4 8.3 -17.3 14 14 A K E +DE 19 65B 90 51,-1.8 51,-1.9 -2,-0.3 2,-0.3 -0.991 30.5 156.5-128.9 120.6 -7.3 6.6 -20.5 15 15 A I E > +D 18 0B 2 3,-2.8 3,-1.9 -2,-0.4 49,-0.1 -0.983 65.9 3.1-148.1 133.8 -10.9 6.7 -21.8 16 16 A G T 3 S- 0 0 55 47,-0.5 3,-0.1 -2,-0.3 21,-0.1 0.744 129.7 -60.3 64.7 23.5 -12.4 6.4 -25.2 17 17 A G T 3 S+ 0 0 60 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.465 117.1 116.7 82.3 0.8 -8.9 5.8 -26.5 18 18 A Q E < -D 15 0B 88 -3,-1.9 -3,-2.8 2,-0.0 2,-0.5 -0.760 60.4-138.7-104.8 149.0 -7.9 9.2 -25.2 19 19 A L E +D 14 0B 127 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.915 32.5 165.8-105.6 129.4 -5.4 10.1 -22.5 20 20 A K E -D 13 0B 33 -7,-2.4 -7,-2.7 -2,-0.5 2,-0.4 -0.910 36.6-115.2-138.7 165.6 -6.4 12.8 -20.1 21 21 A E E +D 12 0B 120 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.880 38.8 179.5-102.7 132.6 -5.4 14.3 -16.8 22 22 A A E -D 11 0B 0 -11,-2.9 -11,-2.7 -2,-0.4 2,-0.5 -0.981 28.0-120.0-139.5 152.3 -7.9 14.0 -13.9 23 23 A L E -Df 10 84B 10 60,-2.7 62,-2.5 -2,-0.3 2,-1.0 -0.770 22.3-133.2 -92.3 120.3 -8.3 14.9 -10.2 24 24 A L E - f 0 85B 0 -15,-2.5 2,-0.6 -2,-0.5 62,-0.1 -0.616 34.9-173.0 -72.9 104.8 -8.8 12.0 -7.7 25 25 A D > + 0 0 19 60,-2.3 3,-1.1 -2,-1.0 62,-0.3 -0.868 26.2 179.9-113.7 106.6 -11.7 13.5 -5.8 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.2 98,-0.1 0.672 86.5 59.7 -72.9 -19.6 -13.1 11.8 -2.6 27 27 A G T 3 S+ 0 0 14 81,-0.1 2,-0.6 96,-0.1 -1,-0.2 0.512 89.1 91.1 -86.3 -3.9 -15.7 14.6 -2.2 28 28 A A < - 0 0 18 -3,-1.1 59,-3.5 57,-0.2 60,-0.2 -0.826 55.8-166.8 -97.6 121.2 -17.2 13.7 -5.6 29 29 A D S S+ 0 0 47 -2,-0.6 59,-1.1 57,-0.2 2,-0.2 0.857 76.9 35.0 -70.3 -34.0 -20.0 11.2 -5.8 30 30 A D S S- 0 0 51 57,-0.1 2,-0.5 56,-0.1 57,-0.1 -0.731 82.3-111.3-121.2 168.8 -19.6 10.9 -9.5 31 31 A T - 0 0 0 43,-0.5 45,-3.0 -2,-0.2 2,-0.5 -0.857 35.2-173.5 -99.3 126.4 -17.0 11.1 -12.3 32 32 A V E -gH 76 84B 8 52,-1.7 52,-3.1 -2,-0.5 2,-0.3 -0.978 3.5-174.2-128.1 124.3 -17.2 14.2 -14.4 33 33 A L E -g 77 0B 0 43,-3.1 45,-2.4 -2,-0.5 47,-0.3 -0.826 31.0-102.4-115.9 154.1 -15.2 14.8 -17.6 34 34 A E S S- 0 0 84 -2,-0.3 -1,-0.1 43,-0.2 50,-0.0 -0.222 71.0 -51.8 -64.3 161.4 -15.0 17.9 -19.8 35 35 A E S S+ 0 0 107 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.006 81.8 134.3 -40.7 130.0 -16.9 17.8 -23.1 36 36 A M - 0 0 18 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.969 53.5 -93.4-168.7 168.3 -16.0 14.7 -25.2 37 37 A S + 0 0 102 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.811 38.4 176.3-100.7 135.6 -17.7 11.9 -27.2 38 38 A L - 0 0 13 -2,-0.4 2,-0.1 2,-0.1 -2,-0.0 -0.972 27.1-112.8-135.3 149.6 -18.6 8.6 -25.7 39 39 A P S S+ 0 0 97 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.359 71.6 31.6 -79.4 159.6 -20.5 5.5 -27.1 40 40 A G S S- 0 0 66 -2,-0.1 2,-0.1 19,-0.1 -2,-0.1 -0.320 95.5 -41.8 91.6-176.5 -23.9 4.2 -26.0 41 41 A R - 0 0 91 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.447 53.4-169.6 -87.4 161.4 -27.0 6.0 -24.8 42 42 A W E -I 59 0B 129 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.958 11.6-153.2-147.2 163.3 -27.1 8.8 -22.3 43 43 A K E -I 58 0B 113 15,-1.2 15,-2.9 -2,-0.3 2,-0.1 -0.984 30.8-101.8-139.0 147.2 -29.6 10.8 -20.2 44 44 A P E +I 57 0B 81 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.342 41.9 170.0 -69.9 150.5 -29.4 14.4 -18.9 45 45 A K E -I 56 0B 72 11,-1.9 11,-2.6 -2,-0.1 2,-0.4 -0.968 25.4-133.5-154.5 159.2 -28.5 15.2 -15.3 46 46 A M E -I 55 0B 114 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.982 19.4-178.0-123.7 130.9 -27.7 18.2 -13.1 47 47 A I E +I 54 0B 24 7,-2.1 7,-2.6 -2,-0.4 2,-0.3 -0.962 13.0 168.7-125.3 145.5 -24.8 18.4 -10.7 48 48 A G E +I 53 0B 36 -2,-0.4 5,-0.3 5,-0.3 2,-0.3 -0.956 17.5 130.3-152.8 171.8 -23.9 21.3 -8.4 49 49 A G E > +I 52 0B 22 3,-2.2 3,-2.8 -2,-0.3 100,-0.1 -0.844 69.9 17.8 177.4-141.4 -22.0 22.8 -5.6 50 50 A I T 3 S+ 0 0 21 1,-0.3 101,-2.0 -2,-0.3 102,-0.5 -0.303 131.7 19.7 -53.6 127.8 -20.0 26.0 -5.1 51 51 A G T 3 S- 0 0 33 100,-0.2 2,-0.3 99,-0.2 -1,-0.3 0.239 121.7 -89.6 95.5 -14.6 -21.0 28.3 -8.0 52 52 A G E < -I 49 0B 28 -3,-2.8 -3,-2.2 100,-0.1 2,-0.3 -0.785 61.8 -38.6 113.7-157.0 -24.2 26.6 -8.8 53 53 A F E -I 48 0B 140 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.762 38.3-162.7-114.0 158.9 -25.2 23.7 -11.1 54 54 A I E -I 47 0B 21 -7,-2.6 -7,-2.1 -2,-0.3 2,-0.4 -0.941 23.0-120.1-133.6 154.7 -24.2 22.6 -14.6 55 55 A K E +I 46 0B 137 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.805 36.5 173.7 -98.5 138.7 -26.0 20.2 -16.9 56 56 A V E -I 45 0B 3 -11,-2.6 -11,-1.9 -2,-0.4 2,-0.5 -0.885 31.8-112.3-138.1 168.9 -24.2 17.0 -18.0 57 57 A R E -IJ 44 77B 50 20,-2.7 20,-2.3 -2,-0.3 2,-0.6 -0.911 27.6-141.6-107.2 128.9 -24.8 13.8 -20.0 58 58 A Q E -IJ 43 76B 23 -15,-2.9 -15,-1.2 -2,-0.5 2,-0.5 -0.803 18.6-178.3 -96.7 120.1 -24.8 10.5 -18.1 59 59 A Y E -IJ 42 75B 10 16,-2.6 16,-2.9 -2,-0.6 3,-0.3 -0.961 13.1-153.1-114.7 129.6 -23.2 7.5 -19.8 60 60 A D E + 0 0 68 -19,-0.5 14,-0.2 -2,-0.5 -19,-0.1 -0.630 68.0 22.0-101.2 161.7 -23.3 4.2 -17.9 61 61 A Q E S+ 0 0 160 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.945 77.3 165.9 50.0 59.8 -21.0 1.2 -18.2 62 62 A I E - J 0 73B 11 11,-2.4 11,-1.6 -3,-0.3 2,-0.4 -0.889 34.3-128.4-106.2 136.2 -18.0 3.2 -19.6 63 63 A L E + J 0 72B 75 -2,-0.4 -47,-0.5 9,-0.2 2,-0.3 -0.678 36.6 166.3 -84.7 135.6 -14.6 1.6 -19.6 64 64 A I E - J 0 71B 7 7,-2.7 7,-3.1 -2,-0.4 2,-0.5 -0.992 27.0-146.0-148.2 150.8 -11.8 3.7 -18.0 65 65 A E E -EJ 14 70B 67 -51,-1.9 -51,-1.8 -2,-0.3 2,-0.6 -0.968 10.9-170.8-124.8 116.8 -8.3 3.2 -16.8 66 66 A I E > S-EJ 13 69B 0 3,-2.7 3,-1.9 -2,-0.5 -53,-0.2 -0.921 77.2 -24.5-108.8 111.6 -6.9 5.1 -13.8 67 67 A C T 3 S- 0 0 55 -55,-1.6 -1,-0.2 -2,-0.6 -54,-0.1 0.885 127.6 -48.9 55.7 41.8 -3.2 4.7 -13.3 68 68 A G T 3 S+ 0 0 48 1,-0.2 2,-0.7 -56,-0.2 -1,-0.3 0.235 114.0 121.5 85.2 -17.1 -3.2 1.4 -15.1 69 69 A H E < - J 0 66B 69 -3,-1.9 -3,-2.7 24,-0.0 2,-0.3 -0.733 57.8-141.9 -85.4 116.0 -6.1 0.1 -13.1 70 70 A K E + J 0 65B 178 -2,-0.7 2,-0.3 -5,-0.2 -5,-0.2 -0.568 29.6 166.4 -78.0 138.0 -9.0 -0.8 -15.3 71 71 A A E - J 0 64B 13 -7,-3.1 -7,-2.7 -2,-0.3 2,-0.4 -0.980 23.4-148.1-148.6 157.2 -12.5 0.1 -14.0 72 72 A I E + J 0 63B 97 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.970 38.0 106.5-129.7 145.4 -16.0 0.4 -15.3 73 73 A G E - 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