==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 10-AUG-04 1W5X . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS; . AUTHOR J.LINDBERG,D.PYRING,S.LOEWGREN,A.ROSENQUIST,G.ZUCCARELLO, . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9850.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 66.7 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 . 28 14.1 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 . 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 0 2 2 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 91 0, 0.0 198,-1.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 179.7 29.8 38.9 4.9 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.6 197,-0.1 196,-0.2 -0.980 360.0-158.2-117.6 122.7 29.5 36.4 2.1 3 3 A I E -A 197 0A 33 194,-3.6 194,-2.6 -2,-0.5 2,-0.1 -0.900 3.9-150.5-108.0 122.3 28.6 32.9 3.2 4 4 A T - 0 0 62 -2,-0.6 3,-0.3 192,-0.2 192,-0.1 -0.446 13.2-134.7 -82.0 163.3 29.4 30.0 0.9 5 5 A L S S+ 0 0 1 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.079 73.2 109.0-110.3 25.0 27.2 26.9 1.0 6 6 A W S S+ 0 0 166 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.844 94.0 23.1 -65.6 -32.3 29.7 24.1 1.1 7 7 A Q S S- 0 0 133 -3,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.826 112.7 -71.5-126.2 166.6 28.6 23.6 4.7 8 8 A R - 0 0 121 -2,-0.3 2,-2.1 1,-0.1 119,-0.1 -0.340 50.9-116.5 -58.7 135.3 25.4 24.5 6.4 9 9 A P + 0 0 3 0, 0.0 15,-2.8 0, 0.0 2,-0.4 -0.513 50.0 169.7 -78.6 79.2 25.2 28.2 6.9 10 10 A L E +D 23 0B 68 -2,-2.1 2,-0.3 13,-0.2 13,-0.2 -0.732 5.5 174.3 -93.4 138.4 25.2 28.2 10.6 11 11 A V E -D 22 0B 17 11,-3.0 11,-3.0 -2,-0.4 2,-0.4 -0.918 33.9-104.3-138.5 164.2 25.6 31.5 12.6 12 12 A T E -D 21 0B 85 -2,-0.3 55,-1.5 9,-0.2 2,-0.3 -0.775 37.4-172.0 -92.9 132.6 25.5 32.6 16.2 13 13 A I E -DE 20 66B 1 7,-3.4 7,-2.8 -2,-0.4 2,-0.5 -0.878 15.7-144.1-122.1 156.7 22.4 34.5 17.2 14 14 A K E +DE 19 65B 81 51,-2.1 51,-2.3 -2,-0.3 2,-0.3 -0.988 30.1 156.8-122.4 122.9 21.6 36.3 20.4 15 15 A I E > -DE 18 64B 3 3,-2.6 3,-2.0 -2,-0.5 49,-0.1 -0.976 66.3 -1.0-149.3 133.5 18.0 36.1 21.8 16 16 A G T 3 S- 0 0 57 47,-0.5 3,-0.1 -2,-0.3 21,-0.1 0.807 129.8 -58.8 58.9 29.0 16.6 36.6 25.2 17 17 A G T 3 S+ 0 0 60 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.580 115.6 116.4 77.3 9.4 20.1 37.1 26.4 18 18 A Q E < -D 15 0B 85 -3,-2.0 -3,-2.6 2,-0.0 2,-0.5 -0.881 60.7-136.9-114.7 144.2 21.2 33.7 25.2 19 19 A L E +D 14 0B 127 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.859 33.4 169.1 -98.3 126.4 23.7 32.8 22.5 20 20 A K E -D 13 0B 37 -7,-2.8 -7,-3.4 -2,-0.5 2,-0.5 -0.922 34.7-117.8-135.7 160.9 22.5 30.0 20.1 21 21 A E E +D 12 0B 120 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.847 39.2 175.9 -99.1 132.6 23.5 28.5 16.8 22 22 A A E -D 11 0B 0 -11,-3.0 -11,-3.0 -2,-0.5 2,-0.4 -0.966 28.9-119.5-139.7 157.1 21.1 28.8 14.0 23 23 A L E -Df 10 84B 5 60,-2.7 62,-3.1 -2,-0.3 2,-1.0 -0.796 20.7-132.1 -97.3 130.0 20.8 28.0 10.3 24 24 A L E - f 0 85B 0 -15,-2.8 2,-0.6 -2,-0.4 62,-0.1 -0.729 36.9-174.3 -79.5 108.5 20.2 30.8 7.8 25 25 A D > + 0 0 16 60,-2.6 3,-1.6 -2,-1.0 62,-0.3 -0.846 26.6 179.5-117.6 99.8 17.4 29.1 5.9 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.679 86.1 61.4 -69.1 -16.3 16.0 30.7 2.8 27 27 A G T 3 S+ 0 0 18 81,-0.1 2,-0.6 96,-0.1 -1,-0.3 0.514 88.3 86.3 -86.2 -6.2 13.5 27.9 2.4 28 28 A A < - 0 0 18 -3,-1.6 59,-3.1 57,-0.2 60,-0.2 -0.854 59.2-164.3 -98.9 123.6 11.9 28.7 5.8 29 29 A D S S+ 0 0 48 -2,-0.6 59,-1.5 57,-0.2 2,-0.2 0.906 77.4 29.0 -69.1 -41.1 9.2 31.4 5.7 30 30 A D S S- 0 0 48 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.590 84.6-107.6-115.2 175.9 9.4 31.9 9.4 31 31 A T - 0 0 0 43,-0.5 45,-3.2 -2,-0.2 2,-0.4 -0.905 35.3-179.5-107.6 127.5 11.9 31.6 12.2 32 32 A V E -gH 76 84B 3 52,-1.4 52,-3.1 -2,-0.5 2,-0.3 -0.994 4.8-170.5-133.8 131.2 11.6 28.7 14.6 33 33 A L E -g 77 0B 0 43,-3.0 45,-2.3 -2,-0.4 47,-0.2 -0.842 32.9 -94.5-118.4 155.0 13.8 27.9 17.6 34 34 A E S S- 0 0 88 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.158 72.1 -55.9 -60.1 160.6 14.0 24.9 19.8 35 35 A E S S+ 0 0 115 43,-0.4 2,-0.3 45,-0.1 -1,-0.2 -0.070 79.5 138.5 -43.2 129.5 12.0 25.0 23.1 36 36 A M - 0 0 19 -3,-0.2 2,-0.5 2,-0.0 -3,-0.1 -0.970 53.5 -92.2-166.7 164.8 12.9 28.0 25.2 37 37 A S + 0 0 100 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.766 40.8 175.0 -93.4 128.7 11.3 30.6 27.4 38 38 A L - 0 0 12 -2,-0.5 2,-0.1 2,-0.1 -2,-0.0 -0.944 29.5-109.7-128.7 151.3 10.3 33.9 25.8 39 39 A P S S+ 0 0 97 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.377 73.7 30.5 -79.0 158.7 8.4 36.9 27.3 40 40 A G S S- 0 0 67 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.231 96.0 -49.7 89.2 179.0 4.9 38.0 26.4 41 41 A R - 0 0 201 -2,-0.1 19,-0.4 19,-0.0 2,-0.3 -0.441 53.5-156.2 -86.1 165.3 1.9 36.1 25.3 42 42 A W - 0 0 107 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.930 9.2-139.1-140.0 162.6 2.0 33.6 22.4 43 43 A K E -I 58 0B 102 15,-1.7 15,-3.4 -2,-0.3 2,-0.1 -0.956 27.3-115.1-123.0 141.1 -0.4 32.0 19.9 44 44 A P E +I 57 0B 86 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.497 40.3 174.7 -75.5 147.9 -0.4 28.4 18.8 45 45 A K E -I 56 0B 71 11,-2.1 11,-2.9 -2,-0.1 2,-0.5 -0.987 26.9-136.3-150.4 155.2 0.5 27.7 15.2 46 46 A M E -I 55 0B 116 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.963 20.9-172.4-115.9 127.7 1.1 24.7 12.9 47 47 A I E -I 54 0B 21 7,-2.3 7,-2.1 -2,-0.5 2,-0.4 -0.969 7.3-153.6-122.4 139.1 4.1 24.8 10.5 48 48 A G E +I 53 0B 44 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.898 26.0 140.7-117.2 142.2 4.7 22.3 7.8 49 49 A G E > -I 52 0B 20 3,-2.7 3,-1.6 -2,-0.4 2,-0.2 -0.612 64.2 -25.5-146.1-153.9 7.9 21.2 6.2 50 50 A I T 3 S+ 0 0 31 1,-0.2 101,-1.9 -2,-0.2 102,-0.7 -0.514 132.7 22.9 -67.2 131.6 9.5 18.0 5.0 51 51 A G T 3 S- 0 0 34 128,-0.3 2,-0.3 100,-0.2 -1,-0.2 0.151 123.4 -81.7 99.5 -21.2 7.9 15.2 7.0 52 52 A G E < -I 49 0B 25 -3,-1.6 -3,-2.7 100,-0.2 2,-0.3 -0.891 66.3 -31.0 127.9-156.8 4.8 17.1 8.0 53 53 A F E -I 48 0B 145 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.709 37.9-165.8-108.7 155.8 3.7 19.6 10.6 54 54 A I E -I 47 0B 22 -7,-2.1 -7,-2.3 -2,-0.3 2,-0.5 -0.955 25.9-117.8-134.0 152.0 4.7 20.5 14.1 55 55 A K E +I 46 0B 139 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.795 39.1 174.8 -93.3 131.0 3.0 22.7 16.7 56 56 A V E -I 45 0B 3 -11,-2.9 -11,-2.1 -2,-0.5 2,-0.5 -0.829 32.3-114.2-130.4 168.5 4.9 25.7 17.8 57 57 A R E -IJ 44 77B 59 20,-3.0 20,-2.3 -2,-0.3 2,-0.6 -0.925 29.1-141.4-106.7 128.1 4.3 28.8 19.9 58 58 A Q E -IJ 43 76B 30 -15,-3.4 -15,-1.7 -2,-0.5 2,-0.4 -0.813 18.8-177.0 -96.1 120.3 4.2 32.1 18.1 59 59 A Y E - J 0 75B 6 16,-2.6 16,-2.9 -2,-0.6 3,-0.3 -0.936 12.2-152.0-113.5 135.6 5.8 35.1 19.8 60 60 A D E + 0 0 71 -19,-0.4 14,-0.2 -2,-0.4 -19,-0.0 -0.652 67.1 21.7-106.3 164.2 5.7 38.5 18.1 61 61 A Q E S+ 0 0 162 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.850 77.8 164.7 52.9 41.0 8.0 41.6 18.3 62 62 A I E - J 0 73B 15 11,-2.4 11,-2.1 -3,-0.3 2,-0.5 -0.727 32.4-135.4 -90.9 137.0 10.9 39.5 19.4 63 63 A L E + J 0 72B 91 -2,-0.4 -47,-0.5 9,-0.2 2,-0.3 -0.785 28.9 173.6 -92.8 130.9 14.4 41.1 19.2 64 64 A I E -EJ 15 71B 0 7,-3.2 7,-3.3 -2,-0.5 2,-0.5 -0.986 24.0-144.9-136.6 146.7 17.2 39.0 17.8 65 65 A E E -EJ 14 70B 53 -51,-2.3 -51,-2.1 -2,-0.3 2,-0.6 -0.962 14.0-171.2-113.8 121.8 20.8 39.7 16.9 66 66 A I E > S-EJ 13 69B 0 3,-3.1 3,-2.1 -2,-0.5 -53,-0.2 -0.944 75.3 -27.4-116.3 109.2 22.1 37.8 13.9 67 67 A C T 3 S- 0 0 55 -55,-1.5 -1,-0.2 -2,-0.6 -54,-0.1 0.900 128.3 -46.5 53.3 44.5 25.9 38.2 13.4 68 68 A G T 3 S+ 0 0 57 1,-0.2 2,-0.6 -3,-0.0 -1,-0.3 0.290 115.0 119.8 84.1 -12.2 25.8 41.6 15.1 69 69 A H E < - 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