==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 04-AUG-10 3O9C . 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) . 9688.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 66.7 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 . 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 . 26 13.1 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 73 0, 0.0 198,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 170.3 27.7 22.1 34.8 2 2 A Q E -A 198 0A 129 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.934 360.0-161.6-102.1 129.3 23.9 22.5 34.6 3 3 A I E -A 197 0A 32 194,-3.6 194,-2.8 -2,-0.5 2,-0.1 -0.966 2.4-154.1-122.4 118.7 23.1 25.7 32.7 4 4 A T - 0 0 71 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.395 14.5-131.9 -84.1 170.6 19.6 27.3 32.9 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.156 75.9 102.8-122.5 20.0 18.2 29.5 30.2 6 6 A W S S+ 0 0 188 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.739 95.8 37.6 -68.4 -22.6 16.8 32.7 31.7 7 7 A K S S- 0 0 67 -3,-0.3 0, 0.0 180,-0.0 0, 0.0 -0.875 110.0 -85.9-119.4 157.3 20.1 34.2 30.3 8 8 A R - 0 0 136 -2,-0.3 2,-2.3 1,-0.1 119,-0.1 -0.404 44.9-117.2 -59.0 133.4 21.8 33.4 27.0 9 9 A P + 0 0 5 0, 0.0 15,-2.5 0, 0.0 2,-0.3 -0.432 51.5 166.9 -76.7 74.4 24.1 30.4 27.6 10 10 A L E +D 23 0B 66 -2,-2.3 2,-0.3 13,-0.2 13,-0.2 -0.659 7.5 175.8 -90.8 141.2 27.4 32.2 26.8 11 11 A V E -D 22 0B 14 11,-2.6 11,-2.9 -2,-0.3 2,-0.4 -0.959 33.2-105.4-141.2 159.6 30.7 30.6 27.7 12 12 A T E -D 21 0B 82 -2,-0.3 55,-2.3 9,-0.2 2,-0.3 -0.732 36.8-171.4 -85.7 131.9 34.4 31.3 27.3 13 13 A I E -DE 20 66B 1 7,-3.2 7,-2.3 -2,-0.4 2,-0.5 -0.876 16.4-143.4-116.9 155.0 36.2 29.2 24.7 14 14 A R E +DE 19 65B 145 51,-2.2 51,-2.2 -2,-0.3 2,-0.3 -0.989 30.2 160.6-118.5 123.5 39.9 28.9 23.9 15 15 A I E > -DE 18 64B 2 3,-2.3 3,-1.8 -2,-0.5 49,-0.1 -0.992 67.5 -2.2-146.7 129.3 40.8 28.5 20.2 16 16 A G T 3 S- 0 0 65 47,-0.6 3,-0.1 -2,-0.3 -1,-0.1 0.810 130.2 -59.9 58.8 28.4 44.1 29.1 18.4 17 17 A G T 3 S+ 0 0 69 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.548 115.7 111.3 77.2 10.5 45.4 30.2 21.8 18 18 A Q E < -D 15 0B 103 -3,-1.8 -3,-2.3 2,-0.0 2,-0.4 -0.897 63.9-128.0-117.6 145.1 42.9 33.1 22.2 19 19 A L E +D 14 0B 122 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.772 34.0 166.4 -92.7 136.2 39.9 33.5 24.5 20 20 A K E -D 13 0B 44 -7,-2.3 -7,-3.2 -2,-0.4 2,-0.4 -0.944 35.0-119.2-138.7 159.4 36.5 34.3 23.1 21 21 A E E +D 12 0B 118 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.888 37.8 177.2 -99.5 134.9 32.9 34.3 24.3 22 22 A A E -D 11 0B 0 -11,-2.9 -11,-2.6 -2,-0.4 2,-0.5 -0.933 27.6-117.9-140.0 156.6 30.5 31.9 22.4 23 23 A L E -Df 10 84B 10 60,-2.6 62,-3.3 -2,-0.3 2,-0.7 -0.854 19.7-132.0-100.7 125.6 26.9 30.9 22.5 24 24 A L E - f 0 85B 0 -15,-2.5 2,-0.6 -2,-0.5 62,-0.1 -0.681 34.9-175.9 -75.2 113.6 25.9 27.2 23.2 25 25 A D > - 0 0 17 60,-2.6 3,-1.8 -2,-0.7 62,-0.3 -0.854 24.6-179.8-128.0 94.0 23.4 26.8 20.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 61,-0.1 0.714 84.6 63.7 -68.8 -18.4 21.5 23.6 20.2 27 27 A G T 3 S+ 0 0 20 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.399 88.1 86.0 -82.7 0.2 19.6 24.9 17.1 28 28 A A < - 0 0 12 -3,-1.8 59,-3.1 57,-0.2 60,-0.2 -0.926 57.4-166.4-106.3 122.7 22.9 25.1 15.2 29 29 A D S S+ 0 0 48 -2,-0.5 59,-1.5 57,-0.2 2,-0.3 0.875 78.9 40.6 -64.1 -41.9 24.1 21.9 13.4 30 30 A D S S- 0 0 69 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.739 83.7-114.1-114.3 159.3 27.5 23.6 12.9 31 31 A T - 0 0 0 43,-0.4 45,-2.8 -2,-0.3 2,-0.5 -0.807 35.1-175.3 -92.9 123.0 29.9 25.8 14.9 32 32 A V E -gH 76 84B 2 52,-1.5 52,-2.9 -2,-0.5 2,-0.3 -0.980 2.6-171.3-128.3 119.9 30.3 29.3 13.4 33 33 A L E -g 77 0B 0 43,-3.3 45,-2.3 -2,-0.5 47,-0.2 -0.850 28.8-103.2-111.7 149.0 32.7 31.9 14.6 34 34 A E - 0 0 89 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.139 67.0 -56.6 -60.5 160.2 33.1 35.6 13.7 35 35 A E S S+ 0 0 117 43,-0.2 2,-0.3 45,-0.1 -1,-0.2 -0.094 79.9 136.8 -44.4 130.5 35.9 36.6 11.4 36 36 A M - 0 0 16 -3,-0.2 2,-0.5 2,-0.0 -3,-0.0 -0.963 53.6 -97.9-166.5 164.4 39.3 35.6 12.7 37 37 A N + 0 0 145 -2,-0.3 -2,-0.0 -21,-0.0 0, 0.0 -0.830 37.7 174.4 -94.0 131.8 42.5 34.0 11.6 38 38 A L - 0 0 17 -2,-0.5 2,-0.1 2,-0.1 -2,-0.0 -0.975 30.1-112.3-128.5 149.1 43.1 30.3 12.1 39 39 A P + 0 0 103 0, 0.0 2,-0.0 0, 0.0 -23,-0.0 -0.330 69.6 28.1 -75.4 159.8 46.1 28.3 10.9 40 40 A G S S- 0 0 65 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.198 96.9 -28.2 90.5-177.7 46.1 25.6 8.2 41 41 A K - 0 0 94 19,-0.1 19,-0.4 -2,-0.0 2,-0.3 -0.349 55.0-179.3 -72.0 147.7 44.0 24.9 5.1 42 42 A W - 0 0 124 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.937 14.1-141.7-134.4 163.8 40.4 25.9 4.9 43 43 A K E -I 58 0B 119 15,-1.9 15,-3.1 -2,-0.3 2,-0.2 -0.980 24.3-105.2-128.0 150.0 37.8 25.5 2.2 44 44 A P E +I 57 0B 108 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.493 48.5 163.7 -64.6 131.9 35.0 27.7 0.8 45 45 A K E -I 56 0B 24 11,-2.3 11,-3.1 -2,-0.2 2,-0.4 -0.942 28.0-139.4-143.4 160.9 31.6 26.6 2.0 46 46 A M E -I 55 0B 129 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.975 18.1-175.0-123.6 142.1 28.1 28.1 2.2 47 47 A I E -I 54 0B 23 7,-1.9 7,-2.8 -2,-0.4 2,-0.4 -0.980 14.9-136.5-134.4 152.4 25.6 27.8 5.1 48 48 A G E +I 53 0B 45 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.869 23.8 166.9-111.2 139.5 22.0 28.8 5.6 49 49 A G E > -I 52 0B 26 3,-2.7 3,-0.8 -2,-0.4 102,-0.1 -0.441 58.4 -65.4-127.5-157.8 20.4 30.4 8.7 50 50 A I T 3 S+ 0 0 32 1,-0.2 101,-0.2 -2,-0.2 3,-0.1 0.833 131.7 41.3 -69.9 -30.7 17.2 32.1 9.5 51 51 A G T 3 S- 0 0 23 99,-2.1 2,-0.3 1,-0.3 -1,-0.2 0.379 121.8 -81.6 -99.6 3.6 18.0 35.1 7.2 52 52 A G E < -I 49 0B 27 -3,-0.8 -3,-2.7 98,-0.6 -1,-0.3 -0.866 64.3 -37.1 127.3-163.5 19.5 33.4 4.2 53 53 A F E -I 48 0B 148 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.713 44.8-171.8-106.3 147.6 22.9 32.0 3.1 54 54 A I E -I 47 0B 19 -7,-2.8 -7,-1.9 -2,-0.3 2,-0.4 -0.890 26.5-112.8-127.7 164.5 26.4 33.2 3.8 55 55 A K E +I 46 0B 164 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.836 40.2 176.1 -93.3 134.6 29.9 32.3 2.7 56 56 A V E -I 45 0B 6 -11,-3.1 -11,-2.3 -2,-0.4 2,-0.5 -0.862 31.8-120.6-131.5 164.0 32.2 30.8 5.3 57 57 A R E -IJ 44 77B 45 20,-2.3 20,-2.4 -2,-0.3 2,-0.7 -0.957 28.4-143.9-102.6 127.1 35.6 29.3 5.6 58 58 A Q E -IJ 43 76B 49 -15,-3.1 -15,-1.9 -2,-0.5 2,-0.5 -0.821 16.1-174.1 -97.7 114.8 35.6 25.7 6.8 59 59 A Y E - J 0 75B 7 16,-3.0 16,-3.0 -2,-0.7 3,-0.4 -0.943 14.1-151.0-105.1 126.3 38.5 24.6 9.0 60 60 A D E + 0 0 73 -2,-0.5 14,-0.2 -19,-0.4 13,-0.1 -0.663 65.6 10.1 -98.6 151.1 38.6 20.9 9.9 61 61 A Q E S+ 0 0 166 -2,-0.3 -1,-0.2 1,-0.2 13,-0.2 0.871 78.6 164.4 56.2 48.7 39.9 19.2 13.0 62 62 A I E - J 0 73B 22 11,-2.8 11,-2.3 -3,-0.4 2,-0.3 -0.871 35.3-127.7 -98.7 120.7 40.5 22.4 15.1 63 63 A P E + J 0 72B 81 0, 0.0 -47,-0.6 0, 0.0 2,-0.3 -0.517 33.3 170.7 -62.8 129.8 41.0 22.1 18.8 64 64 A I E -EJ 15 71B 4 7,-2.5 7,-2.6 -2,-0.3 2,-0.6 -0.992 24.5-147.7-139.3 137.7 38.7 24.2 21.0 65 65 A E E -EJ 14 70B 67 -51,-2.2 -51,-2.2 -2,-0.3 2,-0.6 -0.938 15.9-164.3-106.5 121.5 38.2 24.1 24.7 66 66 A I E > S-EJ 13 69B 0 3,-3.1 3,-1.7 -2,-0.6 -53,-0.2 -0.925 70.8 -29.6-115.0 105.4 34.7 25.0 25.7 67 67 A C T 3 S- 0 0 56 -55,-2.3 -1,-0.2 -2,-0.6 -54,-0.1 0.888 128.7 -45.4 55.4 40.8 34.2 25.9 29.3 68 68 A G T 3 S+ 0 0 54 -56,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.467 116.8 112.1 87.3 0.8 37.1 23.6 30.3 69 69 A H E < - 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