==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 18-AUG-11 3TH9 . COMPND 2 MOLECULE: GAG-POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 LW . AUTHOR P.ORTH . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9938.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 62.6 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 . 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 . 18 9.1 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 . 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 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 87 0, 0.0 198,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 168.0 29.5 39.2 4.8 2 2 A Q E -A 198 0A 128 196,-0.2 2,-0.5 197,-0.1 196,-0.2 -0.994 360.0-161.9-119.5 123.9 29.3 36.5 2.0 3 3 A I E -A 197 0A 38 194,-3.3 194,-2.7 -2,-0.5 2,-0.1 -0.945 6.2-149.9-112.9 121.5 28.4 33.0 3.1 4 4 A T - 0 0 67 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.346 13.0-133.3 -81.1 169.2 29.1 30.0 0.9 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.1 185,-0.1 0.143 72.4 110.6-116.7 22.6 27.0 26.9 0.8 6 6 A W S S+ 0 0 192 185,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.858 94.1 16.8 -64.1 -33.7 29.6 24.2 0.9 7 7 A K S S- 0 0 167 -3,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.790 112.2 -64.9-129.0 171.1 28.4 23.4 4.5 8 8 A R - 0 0 132 -2,-0.2 2,-2.2 1,-0.1 119,-0.1 -0.351 50.9-119.4 -57.6 133.8 25.2 24.4 6.4 9 9 A P + 0 0 5 0, 0.0 15,-2.7 0, 0.0 2,-0.3 -0.467 48.2 170.9 -79.8 77.7 25.0 28.2 6.9 10 10 A L E +D 23 0B 89 -2,-2.2 2,-0.3 13,-0.2 13,-0.2 -0.705 5.2 173.9 -90.7 137.3 24.9 28.1 10.7 11 11 A V E -D 22 0B 15 11,-2.7 11,-2.8 -2,-0.3 2,-0.4 -0.928 34.0-106.1-135.6 163.0 25.3 31.4 12.7 12 12 A T E -D 21 0B 69 -2,-0.3 55,-0.9 9,-0.2 2,-0.3 -0.741 37.8-172.5 -89.1 135.1 25.1 32.4 16.3 13 13 A I E -DE 20 66B 1 7,-3.0 7,-2.1 -2,-0.4 2,-0.5 -0.881 19.1-140.1-121.7 159.2 22.0 34.3 17.3 14 14 A K E +DE 19 65B 40 51,-2.1 51,-1.6 -2,-0.3 2,-0.3 -0.994 33.1 159.2-120.9 120.3 21.0 36.0 20.5 15 15 A I E > -DE 18 64B 1 3,-2.6 3,-2.5 -2,-0.5 49,-0.1 -0.989 64.4 -5.5-144.5 133.9 17.4 35.5 21.5 16 16 A G T 3 S- 0 0 45 47,-0.6 21,-0.1 -2,-0.3 3,-0.1 0.802 128.5 -56.7 52.0 36.5 15.6 35.9 24.9 17 17 A G T 3 S+ 0 0 80 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.502 118.4 110.0 73.5 9.7 19.0 36.6 26.5 18 18 A Q E < -D 15 0B 81 -3,-2.5 -3,-2.6 2,-0.0 2,-0.4 -0.870 64.6-131.7-117.3 150.7 20.3 33.2 25.2 19 19 A L E +D 14 0B 132 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.825 33.7 170.1 -98.6 132.4 22.9 32.3 22.6 20 20 A K E -D 13 0B 28 -7,-2.1 -7,-3.0 -2,-0.4 2,-0.4 -0.973 33.9-121.8-139.6 156.7 21.8 29.7 20.0 21 21 A E E +D 12 0B 102 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.842 39.1 177.4 -97.1 133.7 23.1 28.2 16.8 22 22 A A E -D 11 0B 0 -11,-2.8 -11,-2.7 -2,-0.4 2,-0.4 -0.977 29.2-117.5-141.3 156.0 20.7 28.6 13.9 23 23 A L E -Df 10 84B 12 60,-2.9 62,-3.2 -2,-0.3 2,-0.8 -0.763 22.0-131.5 -94.0 126.0 20.4 27.8 10.2 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.4 62,-0.1 -0.723 38.1-173.6 -74.9 108.8 20.0 30.7 7.7 25 25 A D > + 0 0 14 60,-2.8 3,-1.8 -2,-0.8 62,-0.3 -0.839 29.1 178.8-122.4 97.8 17.1 29.1 5.8 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.697 86.3 62.3 -68.0 -19.1 15.8 30.7 2.6 27 27 A G T 3 S+ 0 0 18 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.450 88.8 85.2 -82.4 -4.5 13.3 27.9 2.3 28 28 A A < - 0 0 16 -3,-1.8 59,-3.0 57,-0.2 60,-0.2 -0.897 56.9-166.3-101.8 125.8 11.6 28.8 5.6 29 29 A D S S+ 0 0 50 -2,-0.5 59,-1.2 57,-0.2 2,-0.2 0.861 78.4 38.9 -68.9 -35.3 8.9 31.4 5.6 30 30 A D S S- 0 0 53 57,-0.2 2,-0.4 56,-0.1 57,-0.2 -0.742 83.8-112.8-118.6 159.9 9.1 31.6 9.4 31 31 A T - 0 0 1 43,-0.5 45,-2.7 -2,-0.2 2,-0.4 -0.819 35.4-171.2 -93.3 128.0 11.8 31.6 12.2 32 32 A V E -gH 76 84B 6 52,-1.8 52,-3.0 -2,-0.4 2,-0.3 -0.987 3.6-174.8-131.6 123.6 11.5 28.4 14.3 33 33 A I E -g 77 0B 0 43,-3.0 45,-2.3 -2,-0.4 3,-0.2 -0.892 29.0-105.7-121.0 146.4 13.4 27.8 17.5 34 34 A E - 0 0 80 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.091 68.6 -52.3 -58.7 162.9 13.7 24.8 19.8 35 35 A E S S+ 0 0 115 43,-0.2 2,-0.3 45,-0.1 -1,-0.2 -0.089 80.1 133.8 -47.5 125.6 11.9 25.0 23.2 36 36 A M - 0 0 15 -3,-0.2 2,-0.3 2,-0.0 -3,-0.1 -0.955 55.3 -94.2-163.0 163.2 12.7 28.1 25.2 37 37 A S + 0 0 102 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.681 37.8 178.8 -87.4 138.2 10.9 30.7 27.3 38 38 A L - 0 0 17 -2,-0.3 2,-0.1 2,-0.1 24,-0.0 -0.983 27.2-115.4-133.5 146.7 10.0 34.0 25.6 39 39 A P + 0 0 101 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.435 69.2 27.7 -80.1 160.4 8.1 36.9 27.2 40 40 A G S S- 0 0 67 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.341 95.5 -28.4 93.3-174.2 4.7 38.1 26.2 41 41 A R - 0 0 88 -2,-0.1 19,-0.6 19,-0.1 2,-0.3 -0.404 54.6-176.3 -76.6 153.8 1.5 36.6 24.7 42 42 A W E -I 59 0B 132 17,-0.2 17,-0.2 -2,-0.1 15,-0.0 -0.963 11.9-157.3-146.0 159.5 1.6 33.7 22.2 43 43 A K E -I 58 0B 115 15,-1.4 15,-3.1 -2,-0.3 2,-0.1 -0.979 30.6-101.5-136.2 150.4 -0.9 31.8 20.2 44 44 A P E +I 57 0B 81 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.377 40.8 175.4 -73.5 153.0 -0.7 28.2 18.8 45 45 A K E -I 56 0B 76 11,-2.0 11,-2.9 -2,-0.1 2,-0.4 -0.979 24.8-135.9-151.5 151.1 0.2 27.6 15.1 46 46 A M E -I 55 0B 118 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.962 21.8-171.4-111.5 132.8 0.8 24.6 12.9 47 47 A I E -I 54 0B 18 7,-2.4 7,-2.4 -2,-0.4 2,-0.3 -0.968 6.0-155.4-127.0 142.0 3.8 24.6 10.5 48 48 A G E +I 53 0B 43 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.868 26.7 128.0-122.4 153.5 4.5 22.1 7.8 49 49 A G E > -I 52 0B 21 3,-2.0 3,-2.1 -2,-0.3 2,-0.2 -0.777 66.8 -13.8-165.2-152.5 7.5 20.8 5.9 50 50 A I T 3 S+ 0 0 22 1,-0.3 101,-1.9 -2,-0.2 102,-0.6 -0.491 132.5 23.2 -66.0 131.7 9.1 17.6 5.0 51 51 A G T 3 S- 0 0 30 128,-0.3 2,-0.3 100,-0.2 -1,-0.3 0.307 122.2 -90.7 92.1 -6.7 7.7 14.9 7.2 52 52 A G E < -I 49 0B 28 -3,-2.1 -3,-2.0 100,-0.2 99,-0.3 -0.761 66.4 -21.7 109.0-152.2 4.5 16.8 7.9 53 53 A F E -I 48 0B 136 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.726 38.2-165.2-109.8 152.9 3.4 19.4 10.6 54 54 A I E -I 47 0B 21 -7,-2.4 -7,-2.4 -2,-0.3 2,-0.4 -0.940 25.0-121.6-125.2 152.2 4.5 20.4 14.1 55 55 A K E +I 46 0B 145 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.802 38.2 174.1 -92.9 132.9 2.6 22.5 16.6 56 56 A V E -I 45 0B 3 -11,-2.9 -11,-2.0 -2,-0.4 2,-0.5 -0.870 33.5-113.9-131.1 168.7 4.4 25.6 17.8 57 57 A R E -IJ 44 77B 48 20,-2.7 20,-2.4 -2,-0.3 2,-0.6 -0.910 28.8-142.1-105.5 127.7 3.8 28.7 19.9 58 58 A Q E -IJ 43 76B 30 -15,-3.1 -15,-1.4 -2,-0.5 2,-0.5 -0.843 18.5-175.7 -94.8 117.9 3.8 32.0 18.0 59 59 A Y E -IJ 42 75B 11 16,-2.6 16,-2.8 -2,-0.6 3,-0.3 -0.939 12.4-152.4-111.4 130.1 5.5 35.0 19.8 60 60 A D E + 0 0 71 -19,-0.6 14,-0.2 -2,-0.5 -19,-0.1 -0.608 66.0 22.1-102.1 159.7 5.3 38.3 18.1 61 61 A Q E S+ 0 0 165 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.913 76.0 163.2 55.7 51.4 7.6 41.4 18.3 62 62 A I E - J 0 73B 13 11,-2.8 11,-2.0 -3,-0.3 2,-0.4 -0.896 33.5-135.0-102.1 129.9 10.7 39.4 19.5 63 63 A I E + J 0 72B 120 -2,-0.5 -47,-0.6 9,-0.2 2,-0.3 -0.710 28.8 175.5 -86.1 130.5 14.1 41.1 19.2 64 64 A I E -EJ 15 71B 1 7,-2.3 7,-2.4 -2,-0.4 2,-0.4 -0.894 21.9-146.0-128.6 156.6 16.9 38.9 17.8 65 65 A E E +EJ 14 70B 97 -51,-1.6 -51,-2.1 -2,-0.3 2,-0.4 -1.000 16.5 179.2-125.7 126.0 20.5 39.6 16.9 66 66 A I E > S-EJ 13 69B 0 3,-2.6 3,-1.8 -2,-0.4 -53,-0.2 -0.983 73.3 -22.4-129.3 111.9 22.1 37.7 14.0 67 67 A C T 3 S- 0 0 63 -55,-0.9 3,-0.1 -2,-0.4 -54,-0.1 0.846 127.5 -48.5 53.6 44.0 25.8 38.6 13.1 68 68 A G T 3 S+ 0 0 61 1,-0.2 2,-0.6 0, 0.0 -1,-0.3 0.488 116.1 120.4 77.1 3.5 25.7 42.0 14.8 69 69 A H E < - J 0 66B 63 -3,-1.8 -3,-2.6 2,-0.0 2,-0.2 -0.902 52.3-151.8-105.4 117.6 22.4 42.8 13.0 70 70 A K E + J 0 65B 73 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.587 23.2 163.2 -85.5 144.8 19.4 43.5 15.2 71 71 A A E - J 0 64B 11 -7,-2.4 -7,-2.3 -2,-0.2 2,-0.3 -0.944 24.7-143.2-151.6 168.1 15.9 42.7 14.0 72 72 A I E + J 0 63B 85 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.997 38.7 107.4-137.0 142.7 12.4 42.2 15.3 73 73 A G E - 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