==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 26-JUL-12 4GB2 . COMPND 2 MOLECULE: GAG-POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 (B . AUTHOR M.STIELER,A.HEINE,G.KLEBE . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9691.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 66.2 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 . 74 37.4 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 . 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 0 4 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 82 0, 0.0 198,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 165.5 0.8 -4.9 4.7 2 2 A Q E -A 198 0A 129 196,-0.2 2,-0.6 197,-0.1 196,-0.2 -0.980 360.0-161.4-109.2 122.6 0.5 -7.2 1.7 3 3 A I E -A 197 0A 36 194,-3.3 194,-2.4 -2,-0.5 2,-0.0 -0.909 3.5-150.1-111.6 118.1 -0.6 -10.6 2.8 4 4 A T - 0 0 69 -2,-0.6 3,-0.2 192,-0.2 192,-0.1 -0.255 14.2-130.8 -78.5 174.6 -0.1 -13.6 0.5 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.139 72.8 111.0-120.6 23.1 -2.3 -16.6 0.6 6 6 A W S S+ 0 0 197 185,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.849 94.1 19.0 -61.8 -34.3 0.2 -19.5 0.8 7 7 A K S S- 0 0 165 -3,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.801 111.6 -65.9-127.0 174.3 -1.1 -20.0 4.3 8 8 A R - 0 0 112 -2,-0.3 2,-2.1 1,-0.1 119,-0.1 -0.361 50.2-121.3 -61.1 133.1 -4.2 -19.0 6.2 9 9 A P + 0 0 5 0, 0.0 15,-2.5 0, 0.0 2,-0.4 -0.512 47.1 171.3 -79.9 79.7 -4.2 -15.2 6.6 10 10 A L E +D 23 0B 69 -2,-2.1 2,-0.3 13,-0.2 13,-0.2 -0.735 5.8 175.7 -93.0 137.6 -4.3 -15.1 10.4 11 11 A V E -D 22 0B 15 11,-2.9 11,-2.9 -2,-0.4 2,-0.4 -0.893 33.5-104.2-133.5 163.8 -3.9 -11.9 12.3 12 12 A T E -D 21 0B 91 -2,-0.3 55,-1.5 9,-0.2 2,-0.3 -0.742 39.1-174.7 -88.9 134.0 -4.0 -10.8 16.0 13 13 A I E -DE 20 66B 2 7,-3.1 7,-2.3 -2,-0.4 2,-0.5 -0.893 19.3-142.0-124.0 157.8 -7.1 -8.9 17.0 14 14 A K E +DE 19 65B 102 51,-2.1 51,-2.0 -2,-0.3 2,-0.4 -0.987 30.0 162.4-120.1 121.1 -8.1 -7.2 20.2 15 15 A I E > -DE 18 64B 1 3,-2.7 3,-2.1 -2,-0.5 49,-0.1 -0.989 64.6 -8.6-143.6 129.3 -11.7 -7.5 21.2 16 16 A G T 3 S- 0 0 46 47,-0.6 21,-0.1 -2,-0.4 3,-0.1 0.866 128.7 -54.6 54.4 38.9 -13.4 -7.0 24.6 17 17 A G T 3 S+ 0 0 67 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.496 117.9 110.0 76.3 4.3 -10.0 -6.6 26.3 18 18 A Q E < -D 15 0B 82 -3,-2.1 -3,-2.7 2,-0.0 2,-0.5 -0.856 62.9-134.8-113.6 146.6 -8.8 -10.0 24.9 19 19 A L E +D 14 0B 125 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.869 33.9 168.1 -95.8 132.9 -6.2 -10.9 22.3 20 20 A K E -D 13 0B 30 -7,-2.3 -7,-3.1 -2,-0.5 2,-0.5 -0.945 36.1-117.5-138.6 160.2 -7.3 -13.5 19.8 21 21 A E E +D 12 0B 123 -2,-0.3 62,-0.5 -9,-0.2 2,-0.3 -0.863 40.2 179.3 -97.9 131.2 -6.1 -15.0 16.5 22 22 A A E -Df 11 83B 0 -11,-2.9 -11,-2.9 -2,-0.5 2,-0.4 -0.948 26.5-119.0-138.1 156.4 -8.5 -14.5 13.7 23 23 A L E -Df 10 84B 7 60,-2.9 62,-3.1 -2,-0.3 2,-0.9 -0.773 20.2-131.0 -96.3 131.4 -8.8 -15.2 10.0 24 24 A L E - f 0 85B 0 -15,-2.5 2,-0.6 -2,-0.4 62,-0.1 -0.729 37.3-174.2 -79.7 109.3 -9.2 -12.5 7.4 25 25 A D > + 0 0 14 60,-2.7 3,-1.3 -2,-0.9 62,-0.3 -0.843 27.5 176.8-122.8 96.2 -12.1 -14.0 5.5 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.684 84.8 61.8 -72.5 -16.4 -13.4 -12.4 2.3 27 27 A G T 3 S+ 0 0 18 96,-0.1 2,-0.5 81,-0.1 -1,-0.3 0.584 89.1 85.0 -81.4 -9.3 -16.0 -15.2 1.9 28 28 A A < - 0 0 17 -3,-1.3 59,-3.0 57,-0.2 60,-0.2 -0.814 57.5-165.4 -98.7 126.7 -17.7 -14.2 5.2 29 29 A D S S+ 0 0 52 -2,-0.5 59,-1.2 57,-0.2 2,-0.2 0.857 78.4 39.2 -70.0 -33.9 -20.3 -11.5 5.2 30 30 A D S S- 0 0 56 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.717 83.8-112.9-120.3 159.9 -20.1 -11.3 9.0 31 31 A T - 0 0 1 43,-0.5 45,-2.8 -2,-0.2 2,-0.5 -0.834 33.5-170.8 -93.7 130.1 -17.5 -11.4 11.8 32 32 A V E -gH 76 84B 5 52,-1.7 52,-3.2 -2,-0.5 2,-0.3 -0.983 2.2-172.5-130.5 121.7 -17.8 -14.5 14.0 33 33 A I E -g 77 0B 0 43,-3.1 45,-2.4 -2,-0.5 47,-0.2 -0.877 29.0-104.1-116.7 143.9 -15.9 -15.0 17.2 34 34 A E - 0 0 71 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.112 67.0 -55.9 -57.8 162.7 -15.6 -18.1 19.5 35 35 A E S S+ 0 0 111 43,-0.2 2,-0.3 45,-0.2 -1,-0.2 -0.126 80.4 130.5 -53.9 126.6 -17.5 -18.0 22.8 36 36 A M - 0 0 14 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.944 55.7 -95.9-160.9 168.5 -16.7 -15.0 25.0 37 37 A S + 0 0 103 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.781 36.4 178.8 -95.6 141.5 -18.5 -12.3 26.9 38 38 A L - 0 0 16 -2,-0.4 2,-0.1 2,-0.1 24,-0.0 -0.975 28.1-111.4-135.5 149.1 -19.2 -8.9 25.4 39 39 A P S S+ 0 0 104 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.396 70.5 32.6 -80.5 159.7 -21.0 -6.0 27.0 40 40 A G S S- 0 0 65 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.367 95.0 -30.5 96.6-174.0 -24.4 -4.6 25.9 41 41 A R - 0 0 89 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.387 55.7-176.2 -78.8 153.2 -27.5 -6.0 24.4 42 42 A W E -I 59 0B 135 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.980 12.9-155.6-142.9 161.9 -27.6 -9.0 22.0 43 43 A K E -I 58 0B 113 15,-1.5 15,-3.2 -2,-0.3 2,-0.1 -0.985 29.2-105.8-133.7 148.7 -30.1 -10.9 19.9 44 44 A P E +I 57 0B 78 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.378 41.4 175.4 -69.4 153.0 -30.0 -14.5 18.7 45 45 A K E -I 56 0B 73 11,-2.0 11,-2.9 -2,-0.1 2,-0.5 -0.978 24.9-136.3-154.0 154.2 -29.2 -15.2 15.1 46 46 A M E -I 55 0B 110 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.978 20.3-174.3-116.6 128.2 -28.7 -18.1 12.8 47 47 A I E -I 54 0B 20 7,-2.4 7,-2.4 -2,-0.5 2,-0.4 -0.961 9.9-149.3-123.0 144.6 -25.9 -18.1 10.2 48 48 A G E +I 53 0B 39 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.894 28.2 136.3-122.8 141.0 -25.2 -20.8 7.7 49 49 A G E > -I 52 0B 20 3,-2.2 3,-2.0 -2,-0.4 2,-0.2 -0.690 62.6 -26.4-150.4-160.6 -22.1 -22.1 6.0 50 50 A I T 3 S+ 0 0 22 1,-0.3 101,-2.5 -2,-0.2 102,-0.6 -0.484 131.4 25.6 -63.1 131.7 -20.5 -25.3 5.0 51 51 A G T 3 S- 0 0 31 128,-0.4 -1,-0.3 100,-0.2 2,-0.2 0.500 125.0 -85.9 88.2 3.5 -21.8 -28.0 7.3 52 52 A G E < -I 49 0B 31 -3,-2.0 -3,-2.2 100,-0.1 2,-0.3 -0.573 67.7 -26.1 103.6-160.4 -25.0 -26.2 8.0 53 53 A F E -I 48 0B 138 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.667 41.9-165.1-101.1 150.5 -26.2 -23.5 10.4 54 54 A I E -I 47 0B 18 -7,-2.4 -7,-2.4 -2,-0.3 2,-0.4 -0.954 23.3-120.7-125.8 154.2 -25.0 -22.4 13.9 55 55 A K E +I 46 0B 145 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.768 37.8 174.8 -94.0 134.5 -26.8 -20.2 16.4 56 56 A V E -I 45 0B 3 -11,-2.9 -11,-2.0 -2,-0.4 2,-0.5 -0.820 32.9-115.7-132.3 166.7 -24.9 -17.1 17.5 57 57 A R E -IJ 44 77B 47 20,-2.4 20,-2.3 -2,-0.3 2,-0.6 -0.947 28.8-142.3-104.2 130.0 -25.4 -14.0 19.6 58 58 A Q E -IJ 43 76B 31 -15,-3.2 -15,-1.5 -2,-0.5 2,-0.5 -0.838 18.3-175.6 -97.7 119.5 -25.4 -10.8 17.7 59 59 A Y E -IJ 42 75B 10 16,-2.7 16,-2.7 -2,-0.6 3,-0.3 -0.947 11.9-152.6-111.9 129.6 -23.7 -7.8 19.4 60 60 A D E + 0 0 70 -19,-0.5 14,-0.2 -2,-0.5 -19,-0.1 -0.657 66.9 21.7-102.9 159.4 -23.8 -4.4 17.7 61 61 A Q E S+ 0 0 164 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.923 77.1 161.1 55.7 51.8 -21.4 -1.5 17.9 62 62 A I E - J 0 73B 16 11,-2.7 11,-1.7 -3,-0.3 2,-0.4 -0.883 33.7-136.3-104.8 129.5 -18.4 -3.5 19.1 63 63 A I E + J 0 72B 115 -2,-0.5 -47,-0.6 9,-0.2 2,-0.4 -0.724 25.6 177.5 -86.7 130.5 -14.9 -2.0 18.7 64 64 A I E -EJ 15 71B 0 7,-2.4 7,-2.7 -2,-0.4 2,-0.5 -0.971 21.9-144.8-126.2 145.7 -12.2 -4.3 17.5 65 65 A E E -EJ 14 70B 94 -51,-2.0 -51,-2.1 -2,-0.4 2,-0.5 -0.968 18.7-173.7-109.6 123.9 -8.5 -3.6 16.7 66 66 A I E > -EJ 13 69B 0 3,-3.2 3,-2.8 -2,-0.5 -53,-0.2 -0.972 69.8 -26.6-122.7 115.4 -7.2 -5.5 13.8 67 67 A C T 3 S- 0 0 60 -55,-1.5 -1,-0.1 -2,-0.5 -54,-0.1 0.864 127.5 -47.8 45.1 44.7 -3.5 -5.2 13.0 68 68 A G T 3 S+ 0 0 57 1,-0.2 2,-0.6 -3,-0.0 -1,-0.3 0.338 117.7 113.6 82.6 -8.8 -3.3 -1.8 14.6 69 69 A H E < - J 0 66B 74 -3,-2.8 -3,-3.2 2,-0.0 2,-0.3 -0.876 58.0-145.3 -99.7 123.1 -6.4 -0.6 12.7 70 70 A K E + J 0 65B 76 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.652 25.1 167.5 -86.5 138.7 -9.5 0.1 14.9 71 71 A A E - J 0 64B 10 -7,-2.7 -7,-2.4 -2,-0.3 2,-0.4 -0.933 22.0-145.3-140.6 162.9 -13.0 -0.6 13.5 72 72 A I E + J 0 63B 85 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.989 39.2 107.7-130.8 144.1 -16.5 -0.8 14.9 73 73 A G E - 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