==== 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 3O99 . 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) . 9474.0 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 . 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 . 2 1.0 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 . 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 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 3 2 0 1 1 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 73 0, 0.0 198,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 168.3 27.5 22.2 34.6 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.951 360.0-162.8-102.1 126.3 23.7 22.6 34.4 3 3 A I E -A 197 0A 31 194,-3.5 194,-2.7 -2,-0.5 2,-0.1 -0.945 2.6-153.9-117.1 121.2 22.8 25.8 32.5 4 4 A T - 0 0 68 -2,-0.5 3,-0.4 192,-0.2 192,-0.1 -0.468 16.2-128.5 -88.2 169.8 19.3 27.2 32.7 5 5 A L S S+ 0 0 1 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.198 77.2 103.1-115.9 19.5 17.9 29.4 29.9 6 6 A W S S+ 0 0 186 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.768 95.3 32.5 -70.2 -22.8 16.6 32.6 31.5 7 7 A K S S- 0 0 66 -3,-0.4 0, 0.0 180,-0.0 0, 0.0 -0.870 110.2 -80.1-121.9 162.4 19.7 34.2 30.1 8 8 A R - 0 0 105 -2,-0.3 2,-2.4 1,-0.1 119,-0.1 -0.402 45.9-118.0 -57.5 131.3 21.6 33.4 26.8 9 9 A P + 0 0 4 0, 0.0 15,-2.7 0, 0.0 2,-0.3 -0.412 51.9 166.1 -72.9 72.4 23.9 30.3 27.4 10 10 A L E +D 23 0B 90 -2,-2.4 2,-0.3 13,-0.2 13,-0.2 -0.713 7.4 173.7 -91.0 138.2 27.1 32.2 26.8 11 11 A V E -D 22 0B 12 11,-2.7 11,-2.7 -2,-0.3 2,-0.4 -0.931 34.3-104.1-138.5 163.2 30.4 30.6 27.8 12 12 A T E -D 21 0B 62 -2,-0.3 55,-2.1 9,-0.2 2,-0.3 -0.750 35.9-168.9 -88.8 133.2 34.1 31.3 27.4 13 13 A I E -DE 20 66B 0 7,-2.9 7,-2.0 -2,-0.4 2,-0.5 -0.864 15.2-142.5-116.4 153.4 35.9 29.3 24.8 14 14 A R E +DE 19 65B 146 51,-1.9 51,-2.2 -2,-0.3 2,-0.4 -0.989 28.7 163.7-115.0 118.1 39.7 29.0 24.2 15 15 A I E > S-D 18 0B 0 3,-2.4 3,-1.8 -2,-0.5 49,-0.1 -0.982 70.4 -11.4-136.9 123.2 40.7 28.7 20.5 16 16 A G T 3 S- 0 0 61 47,-0.4 3,-0.1 -2,-0.4 -1,-0.1 0.853 127.5 -56.2 57.0 38.8 44.2 29.3 19.3 17 17 A G T 3 S+ 0 0 57 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.535 115.8 115.8 72.5 5.9 45.3 30.7 22.7 18 18 A Q E < -D 15 0B 118 -3,-1.8 -3,-2.4 2,-0.0 2,-0.4 -0.852 59.5-138.6-108.3 144.6 42.5 33.3 22.5 19 19 A L E +D 14 0B 131 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.879 30.4 166.3-100.1 134.1 39.5 33.6 24.8 20 20 A K E -D 13 0B 52 -7,-2.0 -7,-2.9 -2,-0.4 2,-0.4 -0.943 35.8-117.2-141.8 155.0 36.1 34.4 23.3 21 21 A E E +D 12 0B 103 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.833 37.7 178.5 -94.3 138.1 32.5 34.4 24.3 22 22 A A E -D 11 0B 1 -11,-2.7 -11,-2.7 -2,-0.4 2,-0.5 -0.976 26.7-119.3-142.0 155.3 30.3 32.0 22.4 23 23 A L E -Df 10 84B 4 60,-2.9 62,-3.2 -2,-0.3 2,-0.7 -0.803 20.0-130.2-100.9 122.4 26.7 30.9 22.5 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.5 62,-0.1 -0.679 35.6-174.9 -72.0 113.1 25.7 27.3 23.1 25 25 A D > + 0 0 18 60,-2.7 3,-1.9 -2,-0.7 62,-0.3 -0.836 24.4 178.5-124.6 92.0 23.3 26.9 20.2 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 61,-0.1 0.728 84.4 63.8 -68.6 -19.4 21.4 23.5 20.0 27 27 A G T 3 S+ 0 0 20 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.442 88.0 85.1 -79.9 -2.5 19.6 24.9 16.9 28 28 A A < - 0 0 12 -3,-1.9 59,-3.2 57,-0.2 60,-0.1 -0.907 57.1-166.6-104.4 124.9 22.9 25.1 15.0 29 29 A D S S+ 0 0 52 -2,-0.5 59,-1.4 57,-0.2 2,-0.3 0.864 79.3 41.2 -67.7 -37.7 24.2 21.9 13.2 30 30 A D S S- 0 0 66 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.727 83.5-115.2-117.6 159.9 27.6 23.7 12.8 31 31 A T - 0 0 0 43,-0.5 45,-2.9 -2,-0.3 2,-0.4 -0.835 34.5-176.1 -94.8 122.8 29.9 25.8 14.8 32 32 A V E -gH 76 84B 2 52,-1.4 52,-2.6 -2,-0.5 2,-0.3 -0.981 2.4-170.3-128.8 120.7 30.3 29.3 13.3 33 33 A L E -g 77 0B 0 43,-3.5 45,-2.2 -2,-0.4 3,-0.2 -0.837 28.5-102.8-114.1 149.2 32.7 31.9 14.6 34 34 A E - 0 0 89 -2,-0.3 -1,-0.1 43,-0.2 48,-0.0 -0.124 67.0 -56.6 -60.7 162.8 33.0 35.6 13.8 35 35 A E S S+ 0 0 116 43,-0.2 2,-0.3 45,-0.1 -1,-0.2 -0.156 79.6 138.6 -47.3 127.1 35.9 36.7 11.5 36 36 A M - 0 0 20 -3,-0.2 2,-0.5 2,-0.0 -3,-0.1 -0.958 53.6 -97.3-160.2 166.4 39.2 35.7 13.0 37 37 A N + 0 0 141 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.814 38.9 173.4 -93.4 126.3 42.6 34.2 11.9 38 38 A L - 0 0 20 -2,-0.5 2,-0.1 2,-0.1 -2,-0.0 -0.969 29.1-116.9-125.4 147.4 43.1 30.5 12.2 39 39 A P + 0 0 105 0, 0.0 2,-0.0 0, 0.0 -23,-0.0 -0.362 67.1 32.7 -78.9 164.1 46.1 28.6 10.9 40 40 A G S S- 0 0 64 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.170 96.2 -31.2 90.3-179.7 46.1 25.8 8.2 41 41 A K - 0 0 95 19,-0.0 19,-0.4 -2,-0.0 2,-0.3 -0.372 55.3-175.1 -71.3 146.4 44.1 25.1 5.1 42 42 A W - 0 0 124 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.920 15.2-138.6-132.8 166.5 40.5 26.1 4.8 43 43 A K E -I 58 0B 43 15,-1.6 15,-2.8 -2,-0.3 2,-0.2 -0.986 24.3-113.7-123.8 136.7 37.8 25.4 2.2 44 44 A P E +I 57 0B 107 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.525 47.2 166.1 -64.6 131.6 35.2 27.9 1.0 45 45 A K E -I 56 0B 27 11,-2.6 11,-3.1 -2,-0.2 2,-0.4 -0.909 28.3-136.4-138.5 167.1 31.7 26.8 2.0 46 46 A M E -I 55 0B 125 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.985 18.9-176.1-124.8 140.3 28.3 28.3 2.2 47 47 A I E -I 54 0B 24 7,-1.8 7,-2.7 -2,-0.4 2,-0.4 -0.972 15.4-137.1-133.3 153.0 25.7 27.9 5.0 48 48 A G E +I 53 0B 44 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.856 22.9 168.8-110.4 141.9 22.1 29.0 5.5 49 49 A G E > -I 52 0B 26 3,-2.8 3,-0.9 -2,-0.4 102,-0.1 -0.518 58.4 -64.9-126.8-158.9 20.5 30.5 8.6 50 50 A I T 3 S+ 0 0 33 1,-0.2 101,-0.2 -2,-0.2 3,-0.1 0.817 132.5 41.9 -66.0 -31.3 17.2 32.2 9.3 51 51 A G T 3 S- 0 0 25 99,-2.0 2,-0.3 1,-0.3 -1,-0.2 0.395 121.2 -87.1 -99.9 0.8 18.0 35.1 7.0 52 52 A G E < -I 49 0B 25 -3,-0.9 -3,-2.8 98,-0.6 2,-0.3 -0.899 64.2 -28.3 129.7-155.7 19.6 33.4 4.1 53 53 A F E -I 48 0B 148 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.755 43.8-175.5-110.0 145.6 23.0 32.2 3.0 54 54 A I E -I 47 0B 20 -7,-2.7 -7,-1.8 -2,-0.3 2,-0.4 -0.851 27.4-114.9-126.7 164.5 26.5 33.3 3.8 55 55 A K E +I 46 0B 161 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.860 38.6 177.6 -96.9 135.8 30.0 32.4 2.7 56 56 A V E -I 45 0B 6 -11,-3.1 -11,-2.6 -2,-0.4 2,-0.5 -0.881 31.1-121.3-130.8 165.1 32.3 30.9 5.3 57 57 A R E -IJ 44 77B 49 20,-2.4 20,-2.2 -2,-0.3 2,-0.6 -0.958 28.9-143.6-105.0 125.8 35.8 29.4 5.6 58 58 A Q E -IJ 43 76B 58 -15,-2.8 -15,-1.6 -2,-0.5 2,-0.5 -0.829 16.0-173.4 -97.7 117.2 35.8 25.9 6.8 59 59 A Y E - J 0 75B 6 16,-2.8 16,-2.7 -2,-0.6 3,-0.4 -0.940 13.6-149.8-105.6 126.1 38.6 24.8 9.1 60 60 A D E + 0 0 85 -2,-0.5 14,-0.2 -19,-0.4 13,-0.1 -0.656 67.2 10.6 -98.7 152.5 38.8 21.1 10.0 61 61 A Q E S+ 0 0 159 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.884 78.1 164.1 50.2 52.9 40.1 19.4 13.2 62 62 A I E - J 0 73B 23 11,-3.1 11,-2.1 -3,-0.4 2,-0.3 -0.870 34.9-128.0 -98.5 124.8 40.5 22.6 15.3 63 63 A P E + J 0 72B 83 0, 0.0 -47,-0.4 0, 0.0 2,-0.3 -0.548 31.4 173.0 -68.2 134.2 40.8 22.3 19.0 64 64 A I E - J 0 71B 4 7,-2.6 7,-2.4 -2,-0.3 2,-0.7 -0.985 23.9-148.9-138.2 133.0 38.4 24.4 21.2 65 65 A E E -EJ 14 70B 93 -51,-2.2 -51,-1.9 -2,-0.3 2,-0.7 -0.912 18.2-162.9 -97.9 116.7 38.1 24.2 24.9 66 66 A I E > -EJ 13 69B 0 3,-3.4 3,-2.0 -2,-0.7 -53,-0.2 -0.894 69.2 -32.7-108.7 108.2 34.5 25.0 25.7 67 67 A C T 3 S- 0 0 56 -55,-2.1 -1,-0.2 -2,-0.7 -54,-0.1 0.870 129.3 -41.3 51.8 41.6 33.9 25.9 29.3 68 68 A G T 3 S+ 0 0 57 1,-0.2 2,-0.4 -56,-0.2 -1,-0.3 0.376 117.4 111.1 91.2 -2.2 36.7 23.5 30.4 69 69 A H E < - 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