==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 02-FEB-12 4DJP . 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) . 9992.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 64.6 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 . 72 36.4 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 . 22 11.1 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 2 3 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 70 0, 0.0 198,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 168.4 27.9 22.4 34.7 2 2 A Q E -A 198 0A 128 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.961 360.0-163.6-103.0 127.7 24.1 22.8 34.5 3 3 A I E -A 197 0A 33 194,-3.2 194,-2.4 -2,-0.5 2,-0.1 -0.968 3.9-153.1-119.8 118.8 23.2 26.0 32.6 4 4 A T - 0 0 68 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.349 15.5-130.3 -83.2 172.1 19.7 27.5 32.9 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.143 75.9 104.5-121.7 19.6 18.2 29.6 30.1 6 6 A W S S+ 0 0 182 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.752 95.0 33.1 -69.4 -22.2 16.9 32.8 31.6 7 7 A K S S- 0 0 171 -3,-0.3 0, 0.0 3,-0.0 0, 0.0 -0.854 110.2 -79.4-121.9 165.0 20.1 34.4 30.1 8 8 A R - 0 0 135 -2,-0.3 2,-2.3 1,-0.1 119,-0.1 -0.428 46.0-119.4 -61.4 133.2 21.9 33.6 26.9 9 9 A P + 0 0 4 0, 0.0 15,-2.6 0, 0.0 2,-0.4 -0.453 50.5 165.6 -79.4 72.7 24.2 30.5 27.4 10 10 A L E +D 23 0B 94 -2,-2.3 2,-0.3 13,-0.2 13,-0.2 -0.713 8.7 177.0 -89.5 135.9 27.4 32.3 26.7 11 11 A V E -D 22 0B 13 11,-2.6 11,-2.6 -2,-0.4 2,-0.4 -0.940 32.8-105.1-134.9 160.1 30.7 30.6 27.7 12 12 A T E -D 21 0B 61 -2,-0.3 55,-2.2 9,-0.2 2,-0.3 -0.720 37.6-171.7 -85.2 130.8 34.4 31.3 27.4 13 13 A I E -DE 20 66B 1 7,-3.0 7,-2.2 -2,-0.4 2,-0.4 -0.854 16.8-142.5-117.5 157.4 36.2 29.2 24.8 14 14 A R E +DE 19 65B 144 51,-1.9 51,-2.4 -2,-0.3 2,-0.3 -0.995 28.8 162.3-119.8 124.3 39.9 28.9 24.0 15 15 A I E > -DE 18 64B 2 3,-2.5 3,-2.1 -2,-0.4 49,-0.1 -0.978 69.9 -6.0-147.3 127.1 40.8 28.6 20.3 16 16 A G T 3 S- 0 0 58 47,-0.5 3,-0.1 -2,-0.3 48,-0.1 0.832 129.0 -59.1 53.8 33.8 44.3 29.1 18.8 17 17 A G T 3 S+ 0 0 53 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.370 115.6 114.4 80.3 -4.1 45.4 30.4 22.2 18 18 A Q E < -D 15 0B 124 -3,-2.1 -3,-2.5 0, 0.0 2,-0.4 -0.801 62.0-132.8-104.6 140.7 42.8 33.1 22.2 19 19 A L E +D 14 0B 128 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.774 32.0 168.3 -90.1 132.6 39.8 33.5 24.6 20 20 A K E -D 13 0B 53 -7,-2.2 -7,-3.0 -2,-0.4 2,-0.4 -0.944 34.1-120.8-135.3 157.5 36.4 34.3 23.1 21 21 A E E +D 12 0B 102 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.873 37.7 177.0 -96.9 135.8 32.8 34.3 24.3 22 22 A A E -D 11 0B 0 -11,-2.6 -11,-2.6 -2,-0.4 2,-0.5 -0.979 28.3-116.4-142.0 154.5 30.5 32.0 22.3 23 23 A L E -Df 10 84B 13 60,-2.7 62,-3.2 -2,-0.3 2,-0.8 -0.750 19.7-132.6 -95.4 124.7 26.9 30.9 22.5 24 24 A L E - f 0 85B 0 -15,-2.6 2,-0.6 -2,-0.5 62,-0.2 -0.704 35.8-176.1 -75.1 110.8 25.9 27.3 23.2 25 25 A D > - 0 0 16 60,-2.7 3,-1.9 -2,-0.8 62,-0.3 -0.848 24.9-178.9-125.5 93.9 23.4 27.0 20.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.708 85.4 62.4 -68.1 -19.0 21.5 23.7 20.1 27 27 A G T 3 S+ 0 0 22 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.403 88.6 85.2 -82.5 0.3 19.7 25.0 17.0 28 28 A A < - 0 0 14 -3,-1.9 59,-2.9 57,-0.2 60,-0.1 -0.906 58.9-164.9-103.3 125.2 23.0 25.3 15.1 29 29 A D S S+ 0 0 52 -2,-0.5 59,-1.5 57,-0.2 2,-0.3 0.854 77.3 36.2 -65.6 -40.0 24.3 22.1 13.4 30 30 A D S S- 0 0 54 57,-0.2 2,-0.4 56,-0.1 57,-0.2 -0.746 83.2-112.2-118.4 161.6 27.7 23.7 13.0 31 31 A T + 0 0 2 43,-0.5 45,-2.4 -2,-0.3 2,-0.4 -0.812 35.7 179.2 -96.1 128.3 30.1 25.9 14.9 32 32 A V E -gH 76 84B 2 52,-1.6 52,-2.9 -2,-0.4 2,-0.3 -0.991 6.8-167.7-138.4 128.8 30.7 29.3 13.4 33 33 A L E -g 77 0B 2 43,-2.9 45,-2.4 -2,-0.4 47,-0.2 -0.827 29.8-100.2-113.7 151.7 32.9 32.1 14.7 34 34 A E S S- 0 0 93 -2,-0.3 -1,-0.1 43,-0.2 48,-0.0 -0.163 70.1 -53.7 -62.1 162.6 33.1 35.8 13.7 35 35 A E S S+ 0 0 116 43,-0.2 2,-0.3 45,-0.1 -1,-0.2 -0.056 80.6 134.7 -45.7 130.9 36.0 36.8 11.5 36 36 A M - 0 0 23 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.959 54.3 -94.7-166.1 167.1 39.4 35.8 12.8 37 37 A N + 0 0 147 -2,-0.3 -2,-0.0 -21,-0.0 0, 0.0 -0.812 37.5 175.4 -95.4 133.3 42.6 34.2 11.7 38 38 A L - 0 0 19 -2,-0.4 2,-0.1 2,-0.1 -2,-0.0 -0.986 30.0-113.5-128.8 147.3 43.2 30.4 12.1 39 39 A P S S+ 0 0 100 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.406 70.9 34.5 -77.8 156.7 46.2 28.4 10.9 40 40 A G S S- 0 0 64 -2,-0.1 2,-0.2 19,-0.1 -2,-0.1 -0.317 96.1 -39.3 98.2 179.3 46.1 25.8 8.1 41 41 A K - 0 0 197 -2,-0.1 19,-0.4 19,-0.1 2,-0.3 -0.499 54.0-163.5 -78.9 146.0 44.1 25.3 4.9 42 42 A W - 0 0 117 -2,-0.2 17,-0.2 17,-0.1 -2,-0.0 -0.901 10.7-138.5-124.3 161.4 40.5 26.2 4.8 43 43 A K E -I 58 0B 42 15,-1.9 15,-3.1 -2,-0.3 2,-0.2 -0.963 25.2-115.1-116.7 133.0 37.7 25.3 2.3 44 44 A P E +I 57 0B 107 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.531 45.5 169.3 -63.0 136.3 35.1 27.8 1.1 45 45 A K E -I 56 0B 65 11,-2.4 11,-2.8 -2,-0.2 2,-0.4 -0.944 27.1-139.8-142.5 159.4 31.6 26.8 2.2 46 46 A M E -I 55 0B 120 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.988 18.5-175.9-123.1 139.5 28.1 28.3 2.3 47 47 A I E -I 54 0B 22 7,-2.1 7,-2.6 -2,-0.4 2,-0.4 -0.955 11.7-144.3-129.8 153.9 25.7 27.9 5.2 48 48 A G E +I 53 0B 44 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.946 21.2 162.7-125.4 140.6 22.1 29.1 5.6 49 49 A G E > -I 52 0B 24 3,-2.8 3,-1.1 -2,-0.4 102,-0.1 -0.392 60.2 -55.8-129.8-152.3 20.1 30.4 8.6 50 50 A I T 3 S+ 0 0 30 1,-0.3 101,-0.2 -2,-0.1 3,-0.1 0.806 133.4 41.3 -67.3 -30.2 17.0 32.3 9.3 51 51 A G T 3 S- 0 0 25 99,-2.3 2,-0.3 1,-0.3 -1,-0.3 0.347 120.7 -92.6-101.5 4.5 18.0 35.3 7.0 52 52 A G E < -I 49 0B 27 -3,-1.1 -3,-2.8 98,-0.6 -1,-0.3 -0.833 62.4 -26.5 118.1-157.2 19.5 33.4 4.1 53 53 A F E -I 48 0B 151 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.701 44.4-174.1-107.1 146.1 22.9 32.2 3.1 54 54 A I E -I 47 0B 22 -7,-2.6 -7,-2.1 -2,-0.3 2,-0.4 -0.927 26.6-115.3-128.9 160.2 26.5 33.4 3.9 55 55 A K E +I 46 0B 163 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.799 39.1 173.4 -92.8 133.8 29.9 32.5 2.8 56 56 A V E -I 45 0B 8 -11,-2.8 -11,-2.4 -2,-0.4 2,-0.5 -0.869 33.3-117.3-133.5 165.2 32.3 31.0 5.4 57 57 A R E -IJ 44 77B 41 20,-2.5 20,-2.1 -2,-0.3 2,-0.6 -0.946 28.6-144.5-101.9 127.6 35.8 29.5 5.6 58 58 A Q E -IJ 43 76B 46 -15,-3.1 -15,-1.9 -2,-0.5 2,-0.5 -0.863 15.8-174.4 -99.1 117.5 35.7 25.9 6.9 59 59 A Y E - J 0 75B 8 16,-2.8 16,-2.8 -2,-0.6 3,-0.3 -0.950 14.3-150.1-108.0 129.1 38.6 24.8 9.1 60 60 A D E + 0 0 89 -2,-0.5 14,-0.2 -19,-0.4 13,-0.1 -0.643 65.1 11.7-102.5 152.2 38.8 21.1 10.0 61 61 A Q E S+ 0 0 163 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.876 78.8 163.3 55.5 49.3 40.1 19.3 13.0 62 62 A I E - J 0 73B 19 11,-2.8 11,-2.2 -3,-0.3 2,-0.3 -0.865 37.8-124.8 -99.1 126.4 40.6 22.4 15.2 63 63 A P E + J 0 72B 83 0, 0.0 -47,-0.5 0, 0.0 2,-0.4 -0.535 32.8 175.4 -69.3 131.6 41.0 22.2 18.9 64 64 A I E -EJ 15 71B 5 7,-2.6 7,-2.0 -2,-0.3 2,-0.7 -0.990 20.6-152.2-135.9 127.6 38.5 24.2 21.0 65 65 A E E -EJ 14 70B 62 -51,-2.4 -51,-1.9 -2,-0.4 2,-0.7 -0.902 15.8-164.7-101.8 118.0 38.3 24.2 24.7 66 66 A I E > -EJ 13 69B 0 3,-3.3 3,-2.0 -2,-0.7 -53,-0.2 -0.890 68.3 -32.2-112.6 107.4 34.7 25.0 25.7 67 67 A C T 3 S- 0 0 54 -55,-2.2 -1,-0.2 -2,-0.7 -54,-0.1 0.896 128.6 -43.3 50.2 43.8 34.1 26.0 29.3 68 68 A G T 3 S+ 0 0 54 -56,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.419 117.8 111.4 85.9 -0.4 37.0 23.6 30.3 69 69 A H E < - 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