==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 04-AUG-10 3O9B . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR C.A.SCHIFFER,M.N.L.NALAM . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9828.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 7.1 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 . 25 12.6 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 2 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 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 67 0, 0.0 198,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 168.6 27.6 21.9 34.6 2 2 A Q E -A 198 0A 131 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.958 360.0-162.0-101.8 128.2 23.8 22.3 34.5 3 3 A I E -A 197 0A 29 194,-3.3 194,-2.7 -2,-0.5 2,-0.1 -0.962 2.0-155.1-118.7 118.5 22.9 25.5 32.6 4 4 A T - 0 0 69 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.379 14.7-131.8 -84.5 172.4 19.4 27.0 33.0 5 5 A L S S+ 0 0 1 190,-0.3 186,-0.2 1,-0.2 185,-0.1 0.177 76.5 101.8-124.1 17.9 17.9 29.2 30.2 6 6 A W S S+ 0 0 191 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.749 95.7 36.6 -70.0 -22.4 16.5 32.3 31.9 7 7 A K S S- 0 0 67 -3,-0.2 0, 0.0 180,-0.0 0, 0.0 -0.855 109.2 -83.4-119.1 160.3 19.7 34.0 30.5 8 8 A R - 0 0 136 -2,-0.3 2,-2.3 1,-0.1 119,-0.1 -0.434 43.5-119.6 -58.5 134.8 21.6 33.4 27.3 9 9 A P + 0 0 4 0, 0.0 15,-2.7 0, 0.0 2,-0.4 -0.451 51.3 164.8 -79.4 70.8 23.9 30.3 27.7 10 10 A L E +D 23 0B 68 -2,-2.3 2,-0.3 13,-0.2 13,-0.2 -0.728 9.2 176.8 -87.7 135.2 27.1 32.3 27.0 11 11 A V E -D 22 0B 17 11,-2.9 11,-2.6 -2,-0.4 2,-0.4 -0.919 32.9-105.8-135.5 160.3 30.4 30.6 28.0 12 12 A T E -D 21 0B 84 -2,-0.3 55,-1.9 9,-0.2 2,-0.3 -0.755 36.4-168.8 -85.6 131.7 34.0 31.4 27.7 13 13 A I E -DE 20 66B 0 7,-3.0 7,-2.2 -2,-0.4 2,-0.5 -0.881 15.2-142.7-115.6 153.4 35.9 29.4 25.1 14 14 A R E +DE 19 65B 144 51,-2.0 51,-2.2 -2,-0.3 2,-0.3 -0.983 29.4 161.6-114.3 123.1 39.6 29.0 24.5 15 15 A I E > -D 18 0B 0 3,-2.4 3,-2.2 -2,-0.5 49,-0.1 -0.974 70.0 -12.4-144.6 123.8 40.7 28.9 20.9 16 16 A G T 3 S- 0 0 73 47,-0.5 3,-0.1 -2,-0.3 48,-0.1 0.830 128.0 -54.9 54.8 35.8 44.3 29.5 19.6 17 17 A G T 3 S+ 0 0 61 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.454 115.5 117.8 77.3 0.7 45.3 31.0 23.0 18 18 A Q E < -D 15 0B 112 -3,-2.2 -3,-2.4 2,-0.0 2,-0.5 -0.789 58.4-141.2-100.6 143.1 42.4 33.5 22.8 19 19 A L E +D 14 0B 130 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.897 30.7 168.7 -98.9 129.8 39.4 33.7 25.2 20 20 A K E -D 13 0B 43 -7,-2.2 -7,-3.0 -2,-0.5 2,-0.4 -0.938 34.6-118.4-133.9 158.9 36.1 34.5 23.6 21 21 A E E +D 12 0B 122 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.860 37.9 176.4 -97.0 133.4 32.5 34.5 24.6 22 22 A A E -D 11 0B 0 -11,-2.6 -11,-2.9 -2,-0.4 2,-0.5 -0.968 27.9-119.9-139.5 155.4 30.3 32.1 22.7 23 23 A L E -Df 10 84B 11 60,-2.7 62,-3.0 -2,-0.3 2,-0.7 -0.815 20.3-131.1 -99.2 123.6 26.7 31.0 22.7 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.5 62,-0.1 -0.666 35.0-173.5 -74.0 115.6 25.8 27.3 23.3 25 25 A D > + 0 0 18 60,-2.7 3,-1.9 -2,-0.7 62,-0.3 -0.834 25.2 179.4-128.0 92.8 23.3 26.9 20.5 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.699 85.1 62.4 -69.2 -18.1 21.4 23.6 20.2 27 27 A G T 3 S+ 0 0 22 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.379 88.6 86.5 -84.5 2.2 19.6 24.9 17.1 28 28 A A < - 0 0 12 -3,-1.9 59,-3.0 57,-0.2 60,-0.2 -0.918 56.5-166.9-105.6 124.2 22.9 25.2 15.2 29 29 A D S S+ 0 0 50 -2,-0.5 59,-1.4 57,-0.2 2,-0.3 0.855 78.8 42.2 -64.1 -38.9 24.2 22.1 13.3 30 30 A D S S- 0 0 66 57,-0.2 2,-0.5 56,-0.1 57,-0.1 -0.782 82.7-116.4-118.0 154.5 27.6 23.9 13.0 31 31 A T - 0 0 0 43,-0.5 45,-2.5 -2,-0.3 2,-0.4 -0.788 35.2-174.9 -88.4 124.6 29.9 26.0 15.1 32 32 A V E -gH 76 84B 2 52,-1.7 52,-2.9 -2,-0.5 2,-0.3 -0.989 3.2-170.4-130.8 120.7 30.3 29.5 13.6 33 33 A L E -g 77 0B 0 43,-3.0 45,-2.4 -2,-0.4 47,-0.2 -0.848 27.8-106.2-111.2 148.0 32.6 32.2 14.9 34 34 A E - 0 0 88 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.192 67.3 -53.7 -62.0 161.6 32.9 35.8 14.0 35 35 A E S S+ 0 0 118 43,-0.2 2,-0.3 45,-0.1 -1,-0.2 -0.067 79.6 138.7 -45.3 128.0 35.8 37.0 11.8 36 36 A M - 0 0 23 -3,-0.2 2,-0.5 2,-0.0 -3,-0.1 -0.953 52.5 -98.1-160.8 165.4 39.1 35.9 13.3 37 37 A N + 0 0 149 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.831 37.6 172.6 -94.7 131.2 42.4 34.5 12.1 38 38 A L - 0 0 20 -2,-0.5 2,-0.1 2,-0.1 -2,-0.0 -0.983 29.3-117.9-130.2 145.3 43.1 30.8 12.3 39 39 A P + 0 0 111 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.400 64.4 24.8 -82.0 159.9 46.1 29.1 10.9 40 40 A G S S- 0 0 63 -2,-0.1 -2,-0.1 19,-0.1 2,-0.0 -0.238 95.5 -16.9 93.3-173.5 46.3 26.4 8.2 41 41 A K + 0 0 96 -2,-0.1 19,-0.4 19,-0.0 2,-0.3 -0.321 56.7 178.6 -68.8 143.7 44.2 25.3 5.3 42 42 A W - 0 0 127 17,-0.1 17,-0.2 -2,-0.0 -2,-0.0 -0.950 18.1-138.6-139.7 163.9 40.6 26.2 5.0 43 43 A K E -I 58 0B 43 15,-1.7 15,-3.0 -2,-0.3 2,-0.2 -0.972 24.0-114.8-123.5 135.2 37.8 25.6 2.4 44 44 A P E +I 57 0B 112 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.512 45.9 167.6 -62.7 136.7 35.2 28.1 1.2 45 45 A K E -I 56 0B 25 11,-2.2 11,-2.9 -2,-0.2 2,-0.4 -0.950 27.1-139.6-143.2 162.6 31.7 27.0 2.2 46 46 A M E -I 55 0B 127 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.979 18.6-176.5-124.2 143.9 28.2 28.4 2.3 47 47 A I E -I 54 0B 23 7,-2.1 7,-2.5 -2,-0.4 2,-0.4 -0.982 15.8-136.5-137.5 150.9 25.7 28.0 5.1 48 48 A G E +I 53 0B 45 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.858 23.5 168.8-109.2 141.1 22.1 29.1 5.6 49 49 A G E > -I 52 0B 26 3,-2.9 3,-0.8 -2,-0.4 102,-0.1 -0.482 57.8 -63.8-126.7-158.4 20.5 30.6 8.7 50 50 A I T 3 S+ 0 0 33 1,-0.2 101,-0.2 -2,-0.2 3,-0.1 0.809 132.3 39.9 -63.7 -29.5 17.2 32.3 9.5 51 51 A G T 3 S- 0 0 25 99,-2.2 2,-0.3 1,-0.3 100,-0.2 0.386 121.6 -82.5-105.8 3.5 17.9 35.3 7.2 52 52 A G E < -I 49 0B 28 -3,-0.8 -3,-2.9 98,-0.6 -1,-0.3 -0.903 65.3 -32.6 129.1-159.2 19.5 33.6 4.2 53 53 A F E -I 48 0B 150 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.753 44.1-174.4-108.5 146.2 23.0 32.3 3.2 54 54 A I E -I 47 0B 18 -7,-2.5 -7,-2.1 -2,-0.3 2,-0.4 -0.913 26.4-115.5-129.4 159.6 26.5 33.5 4.0 55 55 A K E +I 46 0B 164 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.799 38.1 177.1 -91.4 137.8 30.0 32.6 2.9 56 56 A V E -I 45 0B 7 -11,-2.9 -11,-2.2 -2,-0.4 2,-0.5 -0.885 32.1-119.0-133.9 164.8 32.3 31.1 5.5 57 57 A R E -IJ 44 77B 41 20,-2.3 20,-2.3 -2,-0.3 2,-0.6 -0.951 29.5-144.5-102.6 124.8 35.8 29.7 5.8 58 58 A Q E -IJ 43 76B 63 -15,-3.0 -15,-1.7 -2,-0.5 2,-0.5 -0.829 16.9-174.7 -95.8 118.1 35.7 26.1 7.0 59 59 A Y E - J 0 75B 8 16,-2.9 16,-2.9 -2,-0.6 3,-0.3 -0.951 12.4-149.6-110.7 128.3 38.6 25.1 9.3 60 60 A D E + 0 0 88 -2,-0.5 14,-0.2 -19,-0.4 13,-0.1 -0.654 67.4 12.5 -98.3 152.6 38.9 21.4 10.3 61 61 A Q E S+ 0 0 158 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.865 75.2 162.4 54.4 47.2 40.3 19.9 13.5 62 62 A I E - J 0 73B 22 11,-2.7 11,-2.1 -3,-0.3 2,-0.3 -0.854 35.5-130.0 -94.0 124.7 40.5 23.1 15.5 63 63 A P E + J 0 72B 81 0, 0.0 -47,-0.5 0, 0.0 2,-0.4 -0.585 29.7 175.8 -71.1 132.8 40.8 22.6 19.3 64 64 A I E - J 0 71B 3 7,-2.3 7,-1.9 -2,-0.3 2,-0.7 -0.984 22.1-149.5-135.6 130.1 38.3 24.6 21.4 65 65 A E E -EJ 14 70B 73 -51,-2.2 -51,-2.0 -2,-0.4 2,-0.7 -0.889 17.0-164.7 -96.9 116.9 38.0 24.3 25.2 66 66 A I E > S-EJ 13 69B 0 3,-3.2 3,-1.8 -2,-0.7 -53,-0.2 -0.913 72.3 -27.5-111.0 108.5 34.4 25.0 26.0 67 67 A C T 3 S- 0 0 62 -55,-1.9 -1,-0.2 -2,-0.7 -54,-0.1 0.856 128.7 -48.2 51.2 40.3 33.9 25.8 29.7 68 68 A G T 3 S+ 0 0 51 1,-0.2 2,-0.5 -56,-0.2 -1,-0.3 0.491 115.6 118.0 80.4 6.0 36.9 23.6 30.4 69 69 A H E < - 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