==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 14-OCT-11 3U7S . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR K.G.SASKOVA,P.REZACOVA,J.KONVALINKA,J.BRYNDA,M.KOZISEK . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10148.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 63.6 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 . 69 34.8 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 . 5 2.5 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 . 11 5.6 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 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 3 2 0 1 2 1 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 94 0, 0.0 198,-1.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 152.2 -27.6 31.5 25.2 2 2 A Q E -A 198 0A 131 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.698 360.0-162.3 -89.9 135.6 -25.3 31.7 28.2 3 3 A I E -A 197 0A 40 194,-3.2 194,-2.6 -2,-0.3 2,-0.1 -0.968 6.2-149.1-122.0 117.3 -24.1 28.4 29.8 4 4 A T - 0 0 78 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.340 13.2-134.8 -77.2 168.6 -22.7 28.2 33.4 5 5 A L S S+ 0 0 0 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.138 76.7 103.5-117.7 18.9 -20.0 25.6 34.3 6 6 A W S S+ 0 0 165 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.823 94.9 31.9 -64.1 -30.6 -21.3 24.3 37.6 7 7 A Q S S- 0 0 157 -3,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.799 110.2 -80.7-119.7 161.0 -22.4 21.3 35.5 8 8 A R - 0 0 113 -2,-0.3 2,-2.2 1,-0.1 119,-0.1 -0.434 45.1-119.6 -61.1 133.5 -20.9 19.7 32.4 9 9 A P + 0 0 3 0, 0.0 15,-3.0 0, 0.0 2,-0.3 -0.461 47.8 169.7 -77.8 73.4 -21.9 21.7 29.3 10 10 A L E -D 23 0B 84 -2,-2.2 2,-0.3 13,-0.2 13,-0.2 -0.652 9.7-175.9 -83.2 142.0 -23.7 18.9 27.4 11 11 A V E -D 22 0B 14 11,-2.9 11,-2.1 -2,-0.3 2,-0.4 -0.945 30.0-109.6-129.2 153.6 -25.7 19.7 24.4 12 12 A V E -D 21 0B 96 -2,-0.3 55,-0.7 9,-0.2 2,-0.4 -0.725 40.0-167.5 -80.5 132.3 -27.9 17.5 22.1 13 13 A V E -DE 20 66B 1 7,-3.3 7,-2.6 -2,-0.4 2,-0.5 -0.950 20.9-152.3-123.8 138.7 -26.4 16.9 18.7 14 14 A K E +DE 19 65B 88 51,-2.4 51,-2.8 -2,-0.4 2,-0.3 -0.971 31.7 158.5-103.9 121.7 -27.6 15.6 15.4 15 15 A V E > -DE 18 64B 0 3,-2.3 3,-1.5 -2,-0.5 49,-0.2 -0.983 64.0 -2.3-145.8 126.3 -24.8 14.0 13.5 16 16 A G T 3 S- 0 0 32 47,-0.9 3,-0.1 -2,-0.3 21,-0.1 0.823 127.6 -58.9 62.9 33.6 -25.0 11.4 10.7 17 17 A G T 3 S+ 0 0 66 1,-0.2 2,-0.3 46,-0.2 -1,-0.3 0.577 118.0 108.3 71.4 10.9 -28.8 11.2 11.0 18 18 A Q E < -D 15 0B 68 -3,-1.5 -3,-2.3 2,-0.0 2,-0.4 -0.875 64.2-131.1-120.7 152.2 -28.3 10.1 14.7 19 19 A L E +D 14 0B 129 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.858 38.1 144.3-104.4 134.7 -29.0 11.9 17.9 20 20 A M E -D 13 0B 42 -7,-2.6 -7,-3.3 -2,-0.4 2,-0.3 -0.923 42.1-106.0-150.0 178.4 -26.5 12.0 20.8 21 21 A E E +D 12 0B 118 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.864 34.6 177.9-110.6 148.3 -25.1 14.2 23.6 22 22 A A E -D 11 0B 0 -11,-2.1 -11,-2.9 -2,-0.3 2,-0.4 -0.991 28.4-111.1-147.6 157.2 -21.8 15.9 23.6 23 23 A L E -Df 10 84B 4 60,-2.7 62,-3.4 -2,-0.3 2,-0.8 -0.710 23.9-129.4 -88.8 129.0 -19.7 18.2 25.6 24 24 A L E - f 0 85B 0 -15,-3.0 2,-0.6 -2,-0.4 62,-0.1 -0.688 39.3-171.8 -75.8 112.8 -19.0 21.8 24.6 25 25 A D > - 0 0 18 60,-2.6 3,-1.7 -2,-0.8 62,-0.3 -0.836 29.3-180.0-127.5 95.0 -15.3 21.5 25.0 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.659 84.9 64.0 -68.0 -15.7 -13.0 24.6 24.7 27 27 A G T 3 S+ 0 0 19 96,-0.1 2,-0.5 81,-0.1 -1,-0.3 0.393 89.1 82.7 -88.6 6.1 -9.9 22.4 25.4 28 28 A A < - 0 0 15 -3,-1.7 59,-3.0 57,-0.2 60,-0.2 -0.938 55.5-166.9-114.6 129.3 -10.4 20.4 22.2 29 29 A D S S+ 0 0 48 -2,-0.5 59,-1.4 57,-0.2 2,-0.2 0.855 79.0 40.6 -73.8 -36.1 -9.2 21.6 18.8 30 30 A D S S- 0 0 57 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.619 82.9-114.1-116.7 167.7 -11.3 18.9 17.1 31 31 A T - 0 0 0 43,-0.4 45,-3.1 -2,-0.2 2,-0.4 -0.873 36.2-178.6-108.2 127.1 -14.7 17.3 17.3 32 32 A I E -gH 76 84B 4 52,-2.1 52,-3.8 -2,-0.5 2,-0.3 -0.992 7.8-176.3-138.9 131.1 -14.8 13.6 18.3 33 33 A F E -g 77 0B 0 43,-2.4 45,-2.2 -2,-0.4 3,-0.2 -0.868 34.1 -95.3-119.0 154.2 -17.5 11.1 18.8 34 34 A E S S- 0 0 102 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.182 72.1 -57.5 -56.2 153.5 -17.8 7.5 19.9 35 35 A E S S+ 0 0 122 43,-0.1 2,-0.3 45,-0.1 -1,-0.2 -0.091 75.9 147.8 -41.1 123.6 -17.8 4.8 17.2 36 36 A M - 0 0 12 -3,-0.2 2,-1.0 2,-0.0 -3,-0.1 -0.957 53.8 -97.1-152.1 160.8 -20.7 5.4 14.8 37 37 A N + 0 0 114 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.726 39.1 179.5 -86.5 105.8 -21.2 4.8 11.2 38 38 A L - 0 0 10 -2,-1.0 2,-0.0 2,-0.1 -2,-0.0 -0.895 34.2-113.5 -95.8 138.9 -20.5 7.9 9.3 39 39 A P + 0 0 111 0, 0.0 -23,-0.0 0, 0.0 -1,-0.0 -0.369 65.6 3.5 -69.8 153.6 -20.9 7.3 5.6 40 40 A G S S- 0 0 63 19,-0.0 -2,-0.1 -2,-0.0 0, 0.0 -0.092 95.8 -5.7 87.4-171.5 -18.1 7.4 3.0 41 41 A R + 0 0 224 19,-0.0 2,-0.3 18,-0.0 19,-0.3 -0.161 56.0 179.6 -57.8 153.7 -14.3 7.8 2.9 42 42 A W - 0 0 117 17,-0.1 17,-0.2 15,-0.0 -2,-0.0 -0.966 21.9-128.8-153.0 161.2 -12.2 8.8 5.9 43 43 A T E -I 58 0B 60 15,-1.9 15,-3.3 -2,-0.3 2,-0.1 -0.944 28.5-113.7-114.9 137.7 -8.5 9.4 6.8 44 44 A P E -I 57 0B 99 0, 0.0 2,-0.4 0, 0.0 13,-0.2 -0.468 40.9-168.5 -63.7 137.9 -6.6 7.8 9.6 45 45 A K E -I 56 0B 73 11,-2.9 11,-2.6 -2,-0.1 2,-0.7 -0.993 20.3-138.7-134.7 143.9 -5.7 10.4 12.3 46 46 A M E +I 55 0B 125 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.930 25.5 178.1 -88.3 118.1 -3.4 10.6 15.3 47 47 A I E -I 54 0B 20 7,-0.7 7,-2.8 -2,-0.7 2,-0.5 -0.984 14.1-158.0 -97.7 152.3 -4.8 12.3 18.2 48 48 A G + 0 0 36 -2,-0.3 2,-0.2 5,-0.3 103,-0.1 -0.951 18.5 167.7-117.1 123.2 -3.2 12.8 21.6 49 49 A G - 0 0 15 -2,-0.5 102,-0.1 101,-0.4 100,-0.0 -0.466 62.4 -57.8-114.5-168.6 -5.2 13.5 24.7 50 50 A I S S+ 0 0 38 1,-0.2 101,-0.2 -2,-0.2 103,-0.1 0.799 144.7 15.6 -35.1 -40.6 -4.5 13.5 28.3 51 51 A G S S+ 0 0 24 99,-1.9 100,-0.3 101,-0.3 102,-0.3 0.625 115.7 126.5-115.1 -26.2 -3.5 9.9 27.9 52 52 A G + 0 0 22 98,-2.0 -4,-0.2 100,-0.2 2,-0.1 0.140 34.2 133.3 -37.9 162.2 -3.1 9.6 24.1 53 53 A F + 0 0 150 -6,-0.5 -5,-0.3 -5,-0.0 2,-0.2 -0.033 57.8 157.8 -99.2 155.4 -1.8 9.0 21.4 54 54 A L E -I 47 0B 29 -7,-2.8 -7,-0.7 -2,-0.1 2,-0.6 -0.652 40.2 -98.6-144.4 173.2 -4.7 7.2 19.7 55 55 A N E +I 46 0B 140 -2,-0.2 2,-0.3 -9,-0.2 -9,-0.2 -0.906 41.3 160.4-119.2 116.6 -6.4 6.0 16.4 56 56 A V E -I 45 0B 6 -11,-2.6 -11,-2.9 -2,-0.6 2,-0.5 -0.852 35.7-123.6-133.6 159.9 -9.3 7.8 14.9 57 57 A R E -IJ 44 77B 44 20,-2.9 20,-2.8 -2,-0.3 2,-0.7 -0.928 24.3-143.7-105.9 129.7 -11.0 8.1 11.6 58 58 A Q E -IJ 43 76B 43 -15,-3.3 -15,-1.9 -2,-0.5 2,-0.5 -0.844 14.3-171.6 -98.2 116.1 -11.4 11.6 10.1 59 59 A Y E - J 0 75B 12 16,-2.6 16,-3.2 -2,-0.7 3,-0.4 -0.929 12.9-149.2-105.1 122.9 -14.6 12.4 8.2 60 60 A D E + 0 0 86 -2,-0.5 14,-0.2 -19,-0.3 13,-0.1 -0.646 69.2 11.1 -91.0 148.6 -14.6 15.7 6.4 61 61 A Q E S+ 0 0 156 -2,-0.3 13,-0.2 1,-0.2 -1,-0.2 0.883 76.1 170.2 51.0 56.4 -17.7 17.9 5.8 62 62 A V E - J 0 73B 13 11,-3.3 11,-2.6 -3,-0.4 2,-0.2 -0.842 36.9-117.1 -93.0 127.3 -20.1 16.1 8.1 63 63 A P E - J 0 72B 87 0, 0.0 -47,-0.9 0, 0.0 2,-0.4 -0.485 37.3-176.9 -57.7 126.4 -23.5 17.8 8.7 64 64 A I E -EJ 15 71B 1 7,-3.3 7,-3.3 -2,-0.2 2,-0.5 -0.997 14.5-162.4-131.2 130.1 -23.9 18.7 12.4 65 65 A E E +EJ 14 70B 70 -51,-2.8 -51,-2.4 -2,-0.4 2,-0.4 -0.955 19.1 163.4-110.7 122.7 -26.9 20.2 14.2 66 66 A I E > -EJ 13 69B 1 3,-2.4 3,-2.1 -2,-0.5 -53,-0.1 -0.992 67.9 -18.5-139.5 124.4 -26.4 21.8 17.6 67 67 A C T 3 S- 0 0 61 -55,-0.7 3,-0.1 -2,-0.4 -1,-0.1 0.859 127.7 -49.2 50.6 45.5 -28.7 24.2 19.4 68 68 A G T 3 S+ 0 0 68 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 -0.051 114.4 118.3 88.1 -32.6 -30.6 25.1 16.2 69 69 A H E < - J 0 66B 68 -3,-2.1 -3,-2.4 -4,-0.0 2,-0.6 -0.491 51.4-154.7 -75.8 127.7 -27.4 25.8 14.3 70 70 A K E + J 0 65B 145 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.912 22.7 169.0-102.2 121.2 -26.6 23.6 11.2 71 71 A V E - J 0 64B 19 -7,-3.3 -7,-3.3 -2,-0.6 2,-0.5 -0.882 31.1-139.7-123.4 161.2 -22.9 23.4 10.5 72 72 A V E + J 0 63B 94 -2,-0.3 2,-0.3 -9,-0.2 -11,-0.1 -0.978 43.4 154.1-122.6 116.7 -20.8 21.2 8.1 73 73 A S E - 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