==== 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 1W5W . 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) . 9888.0 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 . 70 35.4 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 . 26 13.1 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 4 1 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,-1.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 171.2 29.8 39.1 4.9 2 2 A Q E -A 198 0A 131 196,-0.2 2,-0.5 197,-0.1 196,-0.2 -0.976 360.0-159.1-116.2 122.4 29.5 36.6 2.0 3 3 A I E -A 197 0A 35 194,-3.5 194,-2.6 -2,-0.5 2,-0.1 -0.901 4.0-150.1-108.2 122.5 28.6 33.0 3.1 4 4 A T - 0 0 64 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.436 13.0-134.3 -82.9 164.3 29.3 30.1 0.8 5 5 A L S S+ 0 0 2 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.098 73.4 108.7-110.6 24.4 27.1 27.0 0.9 6 6 A W S S+ 0 0 166 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.850 94.0 22.5 -65.3 -33.0 29.7 24.2 1.0 7 7 A Q S S- 0 0 134 -3,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.808 111.9 -70.9-125.6 169.0 28.6 23.7 4.6 8 8 A R - 0 0 121 -2,-0.3 2,-2.1 1,-0.1 119,-0.1 -0.365 50.3-117.4 -60.8 135.9 25.4 24.6 6.4 9 9 A P + 0 0 4 0, 0.0 15,-2.6 0, 0.0 2,-0.3 -0.500 48.9 170.5 -79.0 77.0 25.2 28.3 6.9 10 10 A L E +D 23 0B 67 -2,-2.1 2,-0.3 13,-0.2 13,-0.2 -0.704 5.1 174.8 -91.2 138.1 25.2 28.3 10.7 11 11 A V E -D 22 0B 17 11,-3.0 11,-3.1 -2,-0.3 2,-0.4 -0.926 33.0-106.2-138.5 162.1 25.6 31.6 12.6 12 12 A T E -D 21 0B 85 -2,-0.3 55,-1.6 9,-0.2 2,-0.3 -0.749 36.6-172.9 -91.4 135.6 25.5 32.7 16.2 13 13 A I E -DE 20 66B 1 7,-3.1 7,-2.6 -2,-0.4 2,-0.5 -0.896 16.4-142.4-125.4 157.4 22.4 34.6 17.3 14 14 A K E +DE 19 65B 82 51,-2.0 51,-2.2 -2,-0.3 2,-0.3 -0.986 30.4 157.3-122.8 121.4 21.6 36.4 20.5 15 15 A I E > -D 18 0B 2 3,-2.5 3,-2.3 -2,-0.5 49,-0.1 -0.986 66.6 -1.7-147.1 134.1 18.0 36.2 21.9 16 16 A G T 3 S- 0 0 58 47,-0.5 3,-0.1 -2,-0.3 21,-0.1 0.805 128.6 -59.9 58.0 29.2 16.7 36.7 25.4 17 17 A G T 3 S+ 0 0 60 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.514 115.2 116.8 77.8 4.5 20.2 37.2 26.5 18 18 A Q E < -D 15 0B 86 -3,-2.3 -3,-2.5 2,-0.0 2,-0.5 -0.825 60.9-135.6-109.2 146.0 21.2 33.8 25.3 19 19 A L E +D 14 0B 128 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.856 33.6 167.9 -98.9 129.1 23.7 32.8 22.6 20 20 A K E -D 13 0B 39 -7,-2.6 -7,-3.1 -2,-0.5 2,-0.4 -0.938 34.6-118.7-139.1 161.0 22.5 30.1 20.2 21 21 A E E +D 12 0B 119 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.855 38.0 176.3-100.8 133.9 23.5 28.6 16.9 22 22 A A E -D 11 0B 0 -11,-3.1 -11,-3.0 -2,-0.4 2,-0.4 -0.962 28.6-118.6-139.9 158.8 21.1 28.9 14.0 23 23 A L E -Df 10 84B 5 60,-2.6 62,-3.2 -2,-0.3 2,-1.0 -0.812 21.0-132.0 -98.8 128.9 20.7 28.1 10.3 24 24 A L E - f 0 85B 0 -15,-2.6 2,-0.6 -2,-0.4 62,-0.2 -0.720 36.8-173.8 -78.5 109.1 20.2 30.9 7.8 25 25 A D > + 0 0 16 60,-2.7 3,-1.5 -2,-1.0 62,-0.3 -0.852 27.0 178.9-117.9 99.8 17.3 29.2 6.0 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.686 86.2 61.4 -70.0 -16.4 16.0 30.8 2.8 27 27 A G T 3 S+ 0 0 19 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.483 88.4 86.3 -86.8 -3.3 13.5 27.9 2.5 28 28 A A < - 0 0 18 -3,-1.5 59,-3.0 57,-0.2 60,-0.2 -0.868 60.6-161.9-101.1 123.9 11.9 28.8 5.8 29 29 A D S S+ 0 0 52 -2,-0.5 59,-1.3 57,-0.2 2,-0.2 0.901 77.6 23.1 -68.5 -39.8 9.1 31.4 5.7 30 30 A D S S- 0 0 50 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.650 85.0-100.9-121.6 178.0 9.5 32.1 9.4 31 31 A T - 0 0 0 43,-0.5 45,-3.1 -2,-0.2 2,-0.4 -0.869 35.6-179.7-104.0 128.1 11.9 31.7 12.2 32 32 A V E -gH 76 84B 4 52,-1.3 52,-3.1 -2,-0.5 2,-0.3 -0.994 3.6-171.6-134.0 130.8 11.6 28.8 14.6 33 33 A L E -g 77 0B 0 43,-2.9 45,-2.4 -2,-0.4 47,-0.3 -0.835 32.8 -93.8-118.6 156.3 13.8 28.0 17.6 34 34 A E S S- 0 0 88 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.177 71.8 -56.4 -61.7 159.5 14.1 25.0 19.9 35 35 A E S S+ 0 0 114 43,-0.4 2,-0.3 45,-0.1 -1,-0.2 -0.057 79.5 138.4 -42.3 128.1 12.0 25.1 23.2 36 36 A M - 0 0 18 -3,-0.2 2,-0.5 2,-0.0 -3,-0.1 -0.972 53.1 -93.0-165.6 165.5 12.9 28.1 25.3 37 37 A S + 0 0 101 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.787 40.3 173.5 -95.2 126.9 11.3 30.8 27.4 38 38 A L - 0 0 11 -2,-0.5 2,-0.1 2,-0.1 -2,-0.0 -0.932 30.0-110.5-127.3 152.2 10.3 34.1 25.9 39 39 A P S S+ 0 0 99 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.349 72.9 33.5 -79.8 162.6 8.4 37.0 27.4 40 40 A G S S- 0 0 67 -2,-0.1 2,-0.2 19,-0.1 -2,-0.1 -0.206 95.8 -49.6 88.0 178.6 4.9 38.1 26.5 41 41 A R - 0 0 211 -2,-0.1 19,-0.5 19,-0.0 2,-0.3 -0.532 53.8-156.9 -88.3 158.5 1.9 36.2 25.3 42 42 A W - 0 0 104 -2,-0.2 17,-0.2 17,-0.1 -2,-0.0 -0.881 8.9-141.2-133.3 164.7 2.0 33.7 22.5 43 43 A K E -I 58 0B 102 15,-1.6 15,-3.5 -2,-0.3 2,-0.1 -0.965 27.0-114.1-125.9 141.7 -0.4 32.1 20.0 44 44 A P E +I 57 0B 88 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.493 39.8 175.0 -75.6 148.2 -0.3 28.4 18.9 45 45 A K E -I 56 0B 69 11,-2.2 11,-3.0 -2,-0.1 2,-0.5 -0.983 26.1-138.0-150.0 155.1 0.5 27.8 15.3 46 46 A M E -I 55 0B 117 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.976 20.6-172.5-118.2 126.5 1.2 24.8 13.0 47 47 A I E -I 54 0B 26 7,-2.3 7,-2.1 -2,-0.5 2,-0.4 -0.958 6.8-154.7-121.0 141.0 4.0 24.9 10.6 48 48 A G E +I 53 0B 44 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.902 26.1 137.0-120.3 145.5 4.7 22.3 7.9 49 49 A G E > -I 52 0B 21 3,-2.3 3,-1.7 -2,-0.4 2,-0.2 -0.656 65.0 -21.2-151.5-152.9 7.8 21.2 6.1 50 50 A I T 3 S+ 0 0 31 1,-0.2 101,-1.9 -2,-0.2 102,-0.6 -0.504 132.5 22.2 -66.8 130.7 9.4 18.0 5.0 51 51 A G T 3 S- 0 0 33 128,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.167 123.1 -82.8 99.6 -20.1 8.0 15.2 7.1 52 52 A G E < -I 49 0B 25 -3,-1.7 -3,-2.3 100,-0.2 2,-0.3 -0.861 65.4 -31.5 125.4-158.6 4.8 17.1 8.1 53 53 A F E -I 48 0B 145 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.691 38.1-165.4-106.8 156.6 3.7 19.7 10.6 54 54 A I E -I 47 0B 21 -7,-2.1 -7,-2.3 -2,-0.3 2,-0.5 -0.959 25.4-118.3-134.3 151.3 4.8 20.6 14.2 55 55 A K E +I 46 0B 138 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.797 38.9 174.6 -93.6 131.1 3.0 22.7 16.7 56 56 A V E -I 45 0B 3 -11,-3.0 -11,-2.2 -2,-0.5 2,-0.5 -0.820 32.3-114.3-130.4 168.9 4.8 25.8 17.8 57 57 A R E -IJ 44 77B 58 20,-2.8 20,-2.3 -2,-0.3 2,-0.6 -0.926 28.7-141.8-107.2 128.0 4.2 28.9 20.0 58 58 A Q E -IJ 43 76B 30 -15,-3.5 -15,-1.6 -2,-0.5 2,-0.4 -0.812 18.5-177.2 -96.4 121.4 4.2 32.2 18.2 59 59 A Y E - J 0 75B 6 16,-2.6 16,-2.9 -2,-0.6 3,-0.3 -0.943 12.4-151.9-114.3 135.8 5.8 35.2 19.9 60 60 A D E + 0 0 70 -19,-0.5 14,-0.2 -2,-0.4 -19,-0.0 -0.661 67.0 22.4-106.9 163.6 5.7 38.6 18.2 61 61 A Q E S+ 0 0 156 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.875 77.8 164.0 53.3 44.6 8.0 41.7 18.4 62 62 A I E - J 0 73B 15 11,-2.3 11,-1.8 -3,-0.3 2,-0.4 -0.784 32.5-135.6 -95.9 135.6 11.0 39.7 19.5 63 63 A L E + J 0 72B 88 -2,-0.4 -47,-0.5 9,-0.2 2,-0.3 -0.760 28.6 172.5 -91.9 131.2 14.4 41.2 19.3 64 64 A I E - J 0 71B 0 7,-2.9 7,-2.6 -2,-0.4 2,-0.5 -0.993 24.4-144.1-138.1 144.8 17.2 39.1 17.9 65 65 A E E -EJ 14 70B 54 -51,-2.2 -51,-2.0 -2,-0.3 2,-0.6 -0.949 14.3-169.7-111.4 121.5 20.8 39.8 16.9 66 66 A I E > S-EJ 13 69B 0 3,-3.2 3,-2.2 -2,-0.5 -53,-0.2 -0.943 75.0 -27.4-114.3 111.2 22.1 37.9 13.9 67 67 A C T 3 S- 0 0 57 -55,-1.6 -1,-0.2 -2,-0.6 -54,-0.1 0.866 128.9 -46.4 53.0 39.1 25.9 38.3 13.4 68 68 A G T 3 S+ 0 0 59 1,-0.2 2,-0.6 -56,-0.2 -1,-0.3 0.388 115.1 119.2 87.1 -5.1 25.8 41.6 15.2 69 69 A H E < - 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