==== 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 4DJO . 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) . 10058.0 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 . 13 6.6 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 . 23 11.6 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 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 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 71 0, 0.0 198,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 169.7 28.0 22.3 34.6 2 2 A Q E -A 198 0A 129 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.963 360.0-162.8-104.5 128.4 24.2 22.7 34.4 3 3 A I E -A 197 0A 32 194,-3.4 194,-2.5 -2,-0.5 2,-0.1 -0.957 3.7-153.8-119.6 118.6 23.2 25.9 32.6 4 4 A T - 0 0 75 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.383 17.0-128.4 -83.1 172.7 19.8 27.4 32.9 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.128 74.7 106.7-121.4 21.6 18.4 29.6 30.1 6 6 A W S S+ 0 0 177 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.769 94.2 30.0 -68.7 -26.1 17.2 32.9 31.6 7 7 A K S S- 0 0 169 -3,-0.3 0, 0.0 3,-0.0 0, 0.0 -0.846 111.0 -76.6-122.3 165.9 20.2 34.5 30.0 8 8 A R - 0 0 133 -2,-0.3 2,-2.3 1,-0.1 119,-0.1 -0.399 45.6-118.0 -59.6 134.3 22.1 33.5 26.8 9 9 A P + 0 0 4 0, 0.0 15,-2.7 0, 0.0 2,-0.3 -0.458 51.3 166.8 -76.1 71.6 24.3 30.5 27.4 10 10 A L E +D 23 0B 87 -2,-2.3 2,-0.3 13,-0.2 13,-0.2 -0.695 7.1 174.2 -88.9 135.0 27.5 32.3 26.6 11 11 A V E -D 22 0B 12 11,-2.8 11,-2.8 -2,-0.3 2,-0.4 -0.948 33.3-105.2-135.8 161.1 30.8 30.6 27.5 12 12 A T E -D 21 0B 63 -2,-0.3 55,-2.5 9,-0.2 2,-0.3 -0.711 36.5-171.1 -86.8 136.5 34.5 31.3 27.0 13 13 A I E -DE 20 66B 1 7,-2.9 7,-2.2 -2,-0.4 2,-0.4 -0.890 16.5-144.0-122.2 155.2 36.3 29.3 24.4 14 14 A R E +DE 19 65B 148 51,-2.0 51,-2.2 -2,-0.3 2,-0.3 -0.993 30.8 158.0-117.5 123.6 40.0 28.9 23.5 15 15 A I E > +DE 18 64B 2 3,-2.6 3,-2.4 -2,-0.4 49,-0.1 -0.991 66.7 1.7-149.8 135.6 40.9 28.5 19.8 16 16 A G T 3 S- 0 0 52 47,-0.6 3,-0.1 -2,-0.3 48,-0.1 0.784 131.1 -62.0 57.7 26.3 44.1 29.1 17.8 17 17 A G T 3 S+ 0 0 58 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.419 115.9 108.6 79.2 0.7 45.5 30.1 21.2 18 18 A Q E < -D 15 0B 133 -3,-2.4 -3,-2.6 0, 0.0 2,-0.3 -0.850 64.8-124.5-113.8 147.9 43.0 33.0 21.7 19 19 A L E +D 14 0B 129 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.692 34.5 164.3 -88.0 140.3 40.0 33.4 24.1 20 20 A K E -D 13 0B 52 -7,-2.2 -7,-2.9 -2,-0.3 2,-0.4 -0.948 36.1-114.7-144.7 158.9 36.6 34.3 22.7 21 21 A E E +D 12 0B 101 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.862 38.1 179.4 -95.6 139.8 33.0 34.3 23.9 22 22 A A E -D 11 0B 0 -11,-2.8 -11,-2.8 -2,-0.4 2,-0.5 -0.972 26.4-120.5-141.8 153.0 30.6 31.9 22.2 23 23 A L E -Df 10 84B 12 60,-2.9 62,-3.2 -2,-0.3 2,-0.7 -0.814 21.4-130.3 -96.0 125.4 27.0 30.9 22.4 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.5 62,-0.1 -0.660 35.7-174.0 -70.8 116.1 26.0 27.3 23.1 25 25 A D > + 0 0 17 60,-2.7 3,-1.9 -2,-0.7 62,-0.3 -0.803 25.5 178.2-130.0 90.8 23.5 26.8 20.3 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.717 83.4 63.7 -66.1 -18.8 21.5 23.6 20.1 27 27 A G T 3 S+ 0 0 21 96,-0.1 2,-0.5 81,-0.1 -1,-0.3 0.436 89.1 84.3 -80.9 -5.2 19.6 24.9 17.0 28 28 A A < - 0 0 14 -3,-1.9 59,-2.9 57,-0.2 60,-0.2 -0.903 59.1-164.1-103.4 125.1 22.9 25.0 15.0 29 29 A D S S+ 0 0 49 -2,-0.5 59,-1.6 57,-0.2 2,-0.3 0.882 79.4 37.7 -65.4 -39.7 24.2 21.8 13.3 30 30 A D S S- 0 0 56 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.738 84.1-111.4-120.4 159.4 27.5 23.4 12.9 31 31 A T - 0 0 0 43,-0.4 45,-2.5 -2,-0.3 2,-0.4 -0.803 34.0-175.0 -92.0 126.8 29.9 25.7 14.7 32 32 A V E -gH 76 84B 3 52,-1.5 52,-3.0 -2,-0.5 2,-0.3 -0.988 1.8-170.0-130.9 120.8 30.3 29.2 13.1 33 33 A L E -g 77 0B 0 43,-3.3 45,-2.5 -2,-0.4 47,-0.2 -0.815 29.1-102.0-111.2 149.1 32.7 31.8 14.4 34 34 A E - 0 0 87 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.195 66.6 -58.4 -61.1 160.2 33.1 35.4 13.4 35 35 A E S S+ 0 0 127 43,-0.2 2,-0.3 45,-0.2 -1,-0.2 -0.100 79.5 136.8 -49.2 131.2 35.8 36.4 11.0 36 36 A M - 0 0 27 -3,-0.1 2,-0.4 2,-0.0 -3,-0.0 -0.965 53.5 -95.8-165.2 164.6 39.3 35.4 12.4 37 37 A N + 0 0 152 -2,-0.3 0, 0.0 -21,-0.0 0, 0.0 -0.795 38.1 175.8 -91.2 134.7 42.6 33.9 11.3 38 38 A L - 0 0 15 -2,-0.4 2,-0.0 2,-0.1 -2,-0.0 -0.991 31.3-109.1-133.0 144.8 43.1 30.2 11.8 39 39 A P S S+ 0 0 104 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.347 72.5 24.8 -69.9 153.9 46.2 28.2 10.7 40 40 A G S S- 0 0 65 19,-0.0 2,-0.1 -2,-0.0 -2,-0.1 -0.293 95.3 -30.0 96.7-175.3 46.1 25.6 8.0 41 41 A K - 0 0 94 -2,-0.1 19,-0.4 19,-0.1 2,-0.3 -0.448 53.0-172.4 -77.5 147.8 44.0 24.9 4.9 42 42 A W - 0 0 123 -2,-0.1 17,-0.2 17,-0.1 -2,-0.0 -0.943 14.7-137.0-135.7 162.4 40.4 25.8 4.6 43 43 A K E -I 58 0B 121 15,-1.9 15,-3.2 -2,-0.3 2,-0.2 -0.952 25.8-113.0-117.9 135.8 37.6 25.1 2.0 44 44 A P E +I 57 0B 94 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.537 49.5 163.2 -63.7 131.7 35.1 27.6 0.7 45 45 A K E -I 56 0B 68 11,-2.5 11,-3.0 -2,-0.2 2,-0.4 -0.917 31.7-133.8-143.0 165.8 31.6 26.6 1.9 46 46 A M E -I 55 0B 125 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.971 19.7-172.8-123.7 146.1 28.1 28.0 2.3 47 47 A I E -I 54 0B 33 7,-2.1 7,-2.5 -2,-0.4 2,-0.2 -0.990 13.2-134.3-139.3 145.8 25.8 27.7 5.3 48 48 A G E +I 53 0B 37 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.632 24.6 161.2-101.4 154.9 22.2 28.6 6.0 49 49 A G E > -I 52 0B 28 3,-2.4 3,-0.9 101,-0.3 102,-0.1 -0.736 58.7 -63.6-148.1-159.0 20.4 30.3 8.8 50 50 A I T 3 S+ 0 0 31 1,-0.2 101,-0.1 -2,-0.2 3,-0.1 0.824 129.7 39.7 -71.4 -29.6 17.2 32.1 9.5 51 51 A G T 3 S- 0 0 25 99,-2.0 2,-0.3 1,-0.2 -1,-0.2 0.339 122.3 -81.7-101.0 5.5 17.8 34.9 7.1 52 52 A G E < -I 49 0B 27 -3,-0.9 -3,-2.4 98,-0.6 2,-0.3 -0.959 65.9 -35.5 130.2-153.5 19.4 33.1 4.2 53 53 A F E -I 48 0B 146 -2,-0.3 2,-0.3 98,-0.2 -5,-0.2 -0.831 41.7-167.5-116.6 150.6 22.9 31.8 3.3 54 54 A I E -I 47 0B 20 -7,-2.5 -7,-2.1 -2,-0.3 2,-0.4 -0.923 25.9-113.0-128.2 159.9 26.4 33.1 3.9 55 55 A K E +I 46 0B 166 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.770 40.8 177.5 -89.0 133.6 29.8 32.2 2.6 56 56 A V E -I 45 0B 7 -11,-3.0 -11,-2.5 -2,-0.4 2,-0.5 -0.864 32.8-120.3-130.6 167.2 32.2 30.6 5.1 57 57 A R E -IJ 44 77B 50 20,-2.3 20,-2.4 -2,-0.3 2,-0.7 -0.960 29.8-144.3-105.8 119.7 35.7 29.2 5.4 58 58 A Q E -IJ 43 76B 35 -15,-3.2 -15,-1.9 -2,-0.5 2,-0.5 -0.832 16.5-174.1 -92.5 115.9 35.6 25.5 6.5 59 59 A Y E - J 0 75B 7 16,-2.8 16,-2.8 -2,-0.7 3,-0.3 -0.945 13.5-151.2-105.5 124.4 38.5 24.5 8.8 60 60 A D E + 0 0 89 -2,-0.5 14,-0.2 -19,-0.4 13,-0.1 -0.635 65.2 9.7 -97.4 153.3 38.6 20.8 9.7 61 61 A Q E S+ 0 0 165 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.863 79.3 164.5 55.5 46.8 39.9 19.0 12.8 62 62 A I E - J 0 73B 22 11,-2.6 11,-2.2 -3,-0.3 2,-0.2 -0.830 35.1-127.9 -98.3 125.1 40.5 22.2 14.8 63 63 A P E + J 0 72B 82 0, 0.0 -47,-0.6 0, 0.0 2,-0.3 -0.541 33.1 171.6 -73.0 138.9 41.1 22.0 18.5 64 64 A I E -EJ 15 71B 5 7,-2.8 7,-2.2 -2,-0.2 2,-0.6 -0.983 25.7-145.8-147.9 130.3 38.8 24.2 20.7 65 65 A E E -EJ 14 70B 60 -51,-2.2 -51,-2.0 -2,-0.3 2,-0.6 -0.908 18.3-166.4 -98.9 120.2 38.4 24.2 24.5 66 66 A I E > -EJ 13 69B 0 3,-3.1 3,-1.8 -2,-0.6 -53,-0.2 -0.916 69.5 -30.9-114.7 107.2 34.8 25.1 25.4 67 67 A C T 3 S- 0 0 54 -55,-2.5 -1,-0.2 -2,-0.6 -54,-0.1 0.906 128.7 -44.0 50.3 43.8 34.2 26.0 29.0 68 68 A G T 3 S+ 0 0 54 -56,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.432 117.3 110.9 86.6 -0.7 37.0 23.7 30.1 69 69 A H E < - J 0 66B 67 -3,-1.8 -3,-3.1 2,-0.0 2,-0.3 -0.923 63.8-126.0-110.9 134.8 36.1 20.8 27.8 70 70 A K E + J 0 65B 158 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.549 31.3 167.1 -81.8 135.7 38.2 19.7 24.8 71 71 A A E - 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