==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 25-FEB-04 1SH9 . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.C.CLEMENTE,R.E.MOOSE,R.HEMRAJANI,L.GOVINDASAMY,R.REUTZEL,R . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10371.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 67.7 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 . 71 35.9 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 . 28 14.1 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 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 1 4 0 0 4 0 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 79 0, 0.0 198,-1.6 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 136.8 39.9 -8.3 13.0 2 2 A Q E -A 198 0A 136 196,-0.2 2,-0.5 197,-0.1 196,-0.2 -0.972 360.0-175.1-113.7 120.7 39.8 -6.3 9.8 3 3 A I E -A 197 0A 43 194,-2.2 194,-2.7 -2,-0.6 2,-0.1 -0.964 12.8-151.2-121.4 132.1 36.6 -6.9 8.0 4 4 A T E -A 196 0A 77 -2,-0.5 3,-0.3 192,-0.2 192,-0.2 -0.329 21.9-123.0 -82.3 173.0 35.8 -5.5 4.6 5 5 A L S S+ 0 0 1 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.128 79.7 105.7-112.4 25.0 32.1 -4.7 3.7 6 6 A W S S+ 0 0 184 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.641 92.2 36.5 -73.9 -12.5 31.5 -6.8 0.6 7 7 A Q S S- 0 0 159 -3,-0.3 0, 0.0 3,-0.0 0, 0.0 -0.932 108.6 -84.7-133.9 155.2 29.5 -9.1 2.8 8 8 A R - 0 0 147 -2,-0.3 2,-1.9 1,-0.1 119,-0.1 -0.412 48.9-113.3 -61.1 132.4 27.3 -8.3 5.8 9 9 A P + 0 0 5 0, 0.0 15,-3.3 0, 0.0 2,-0.3 -0.482 50.7 171.9 -73.0 82.5 29.6 -8.0 8.9 10 10 A L E -D 23 0B 84 -2,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.715 10.6-177.8 -96.0 143.2 28.3 -11.0 10.9 11 11 A V E -D 22 0B 14 11,-2.8 11,-2.8 -2,-0.3 2,-0.3 -0.974 28.4-112.0-137.6 150.8 29.9 -12.4 14.1 12 12 A T E -D 21 0B 89 -2,-0.3 55,-1.2 9,-0.2 2,-0.4 -0.665 35.2-165.3 -87.0 137.9 29.2 -15.3 16.3 13 13 A I E -DE 20 66B 1 7,-3.8 7,-3.1 -2,-0.3 2,-0.6 -0.950 20.8-156.6-128.7 141.7 27.8 -14.7 19.8 14 14 A K E +DE 19 65B 80 51,-1.4 51,-1.4 -2,-0.4 2,-0.4 -0.963 27.9 166.5-113.8 113.3 27.4 -16.6 23.0 15 15 A I E > -DE 18 64B 0 3,-3.2 3,-2.0 -2,-0.6 22,-0.2 -0.982 66.6 -13.6-134.1 120.9 24.7 -15.0 25.0 16 16 A G T 3 S- 0 0 49 47,-0.6 -1,-0.1 -2,-0.4 21,-0.1 0.849 127.7 -55.4 59.1 34.6 23.0 -16.5 28.1 17 17 A G T 3 S+ 0 0 71 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.457 118.4 114.5 78.3 0.0 24.4 -19.9 27.1 18 18 A Q E < -D 15 0B 44 -3,-2.0 -3,-3.2 19,-0.1 2,-0.5 -0.792 62.0-133.5-106.0 147.4 22.8 -19.5 23.7 19 19 A L E +D 14 0B 117 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.860 33.0 162.8-103.1 131.8 24.7 -19.2 20.4 20 20 A R E -D 13 0B 84 -7,-3.1 -7,-3.8 -2,-0.5 2,-0.4 -0.890 34.5-127.2-139.9 168.5 23.7 -16.6 17.9 21 21 A E E -D 12 0B 106 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.969 32.7-176.8-118.5 133.1 24.9 -14.7 14.8 22 22 A A E -D 11 0B 0 -11,-2.8 -11,-2.8 -2,-0.4 2,-0.5 -0.937 25.3-120.3-133.8 158.2 24.8 -10.9 14.8 23 23 A L E -Df 10 84B 19 60,-2.4 62,-2.8 -2,-0.3 2,-0.9 -0.828 24.4-127.8 -98.4 127.4 25.5 -8.0 12.6 24 24 A L E - f 0 85B 0 -15,-3.3 2,-0.6 -2,-0.5 62,-0.1 -0.651 37.3-172.1 -72.7 108.5 28.1 -5.5 13.6 25 25 A D > + 0 0 17 60,-2.3 3,-1.2 -2,-0.9 62,-0.2 -0.862 27.6 177.5-117.7 104.0 26.0 -2.4 13.1 26 26 A T T 3 S+ 0 0 1 -2,-0.6 -1,-0.1 1,-0.3 61,-0.1 0.682 84.1 65.1 -72.3 -18.1 27.6 1.1 13.4 27 27 A G T 3 S+ 0 0 26 81,-0.1 2,-0.4 96,-0.1 -1,-0.3 0.310 92.0 77.5 -87.2 9.5 24.2 2.7 12.6 28 28 A A < - 0 0 13 -3,-1.2 59,-2.9 57,-0.2 60,-0.2 -0.972 56.8-166.4-122.4 133.3 22.7 1.3 15.8 29 29 A D S S+ 0 0 83 -2,-0.4 59,-1.9 57,-0.3 2,-0.2 0.868 78.8 43.4 -81.1 -38.4 23.2 2.8 19.2 30 30 A D S S- 0 0 57 57,-0.2 2,-0.5 56,-0.1 57,-0.1 -0.661 84.7-112.9-108.4 162.4 21.7 -0.3 21.0 31 31 A T E -g 75 0B 0 43,-0.5 45,-2.5 -2,-0.2 2,-0.4 -0.829 31.9-165.5 -98.3 128.3 22.1 -4.0 20.6 32 32 A I E -gH 76 84B 12 52,-1.9 52,-4.0 -2,-0.5 2,-0.4 -0.972 7.7-176.7-122.5 132.2 19.0 -5.8 19.4 33 33 A F E -g 77 0B 0 43,-2.2 45,-1.9 -2,-0.4 2,-0.4 -0.993 22.2-133.5-128.6 131.9 18.4 -9.5 19.6 34 34 A E S S- 0 0 93 -2,-0.4 49,-0.1 1,-0.2 43,-0.0 -0.732 73.1 -28.2 -86.5 133.6 15.4 -11.4 18.3 35 35 A E S S+ 0 0 113 -2,-0.4 2,-0.3 43,-0.1 -1,-0.2 0.769 78.3 139.6 16.4 109.7 14.1 -13.9 20.7 36 36 A I - 0 0 11 -3,-0.2 2,-0.6 2,-0.0 -1,-0.1 -0.916 52.4-104.5-152.3 160.0 16.5 -15.3 23.1 37 37 A S - 0 0 91 -2,-0.3 -19,-0.1 -22,-0.2 -22,-0.0 -0.866 39.2-179.9-106.1 124.7 16.0 -16.1 26.8 38 38 A L - 0 0 21 -2,-0.6 -2,-0.0 2,-0.1 39,-0.0 -0.928 23.0-112.0-124.3 144.5 17.6 -13.8 29.4 39 39 A P + 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -23,-0.0 0.020 66.0 8.3 -56.4 160.7 17.6 -13.7 33.2 40 40 A G S S- 0 0 67 19,-0.1 2,-0.2 2,-0.0 -2,-0.1 0.168 93.4 -35.0 67.0-176.7 16.1 -11.2 35.6 41 41 A R - 0 0 236 1,-0.1 19,-0.4 19,-0.0 2,-0.2 -0.495 53.5-168.4 -87.1 152.7 13.7 -8.4 35.3 42 42 A W - 0 0 102 -2,-0.2 17,-0.2 17,-0.1 15,-0.1 -0.537 19.1-119.0-124.5-169.9 13.5 -6.0 32.4 43 43 A K E -I 58 0B 108 15,-0.6 15,-1.1 -2,-0.2 2,-0.7 -0.964 30.1-114.4-141.7 119.9 11.9 -2.7 31.4 44 44 A P E +I 57 0B 108 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.354 48.7 173.0 -57.0 101.1 9.4 -2.2 28.5 45 45 A K E -I 56 0B 71 11,-2.2 11,-3.7 -2,-0.7 2,-0.4 -0.764 21.5-145.8-112.1 157.7 11.4 0.0 26.1 46 46 A M E -I 55 0B 104 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.974 14.2-175.8-126.3 139.2 10.6 1.1 22.6 47 47 A I E -I 54 0B 22 7,-2.0 7,-2.3 -2,-0.4 2,-0.3 -0.912 9.3-147.5-130.7 158.5 12.9 1.8 19.7 48 48 A G E +I 53 0B 55 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.852 26.0 139.6-127.0 162.9 12.5 3.1 16.2 49 49 A G - 0 0 22 3,-2.5 3,-0.5 -2,-0.3 2,-0.2 -0.772 63.6 -18.7-166.1-151.7 14.1 2.6 12.8 50 50 A I S S+ 0 0 40 -2,-0.2 101,-1.7 1,-0.2 102,-1.6 -0.511 131.0 17.3 -69.9 139.3 12.9 2.3 9.1 51 51 A G S S- 0 0 43 100,-0.3 2,-0.3 128,-0.3 -1,-0.2 -0.074 124.3 -73.9 91.2 -37.4 9.2 1.5 9.0 52 52 A G - 0 0 32 -3,-0.5 -3,-2.5 100,-0.2 2,-0.2 -0.992 63.4 -36.1 155.4-147.2 8.5 2.4 12.6 53 53 A F E -I 48 0B 119 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.741 38.0-159.2-118.1 166.0 8.9 1.5 16.2 54 54 A V E -I 47 0B 17 -7,-2.3 -7,-2.0 -2,-0.2 2,-0.4 -0.993 20.8-120.0-146.7 150.1 8.8 -1.7 18.2 55 55 A K E +I 46 0B 132 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.769 42.3 168.8 -90.1 130.6 8.2 -2.7 21.8 56 56 A V E -I 45 0B 8 -11,-3.7 -11,-2.2 -2,-0.4 2,-0.5 -0.874 35.8-111.2-137.6 170.5 11.2 -4.5 23.4 57 57 A R E -IJ 44 77B 110 20,-2.9 20,-2.3 -2,-0.3 2,-0.6 -0.895 27.5-143.8-104.8 132.8 12.5 -5.7 26.8 58 58 A Q E -IJ 43 76B 31 -15,-1.1 -15,-0.6 -2,-0.5 2,-0.5 -0.868 16.4-173.8-102.0 117.5 15.5 -3.9 28.2 59 59 A Y E - J 0 75B 11 16,-2.6 16,-2.8 -2,-0.6 3,-0.3 -0.939 10.2-153.2-111.1 128.4 18.0 -6.1 30.0 60 60 A D E + 0 0 71 -2,-0.5 14,-0.2 -19,-0.4 13,-0.0 -0.751 66.9 11.2-103.4 148.9 20.9 -4.4 31.8 61 61 A Q E S+ 0 0 164 -2,-0.3 -1,-0.2 1,-0.2 13,-0.2 0.886 76.7 159.6 57.0 47.5 24.4 -5.8 32.6 62 62 A I E - J 0 73B 20 11,-2.9 11,-2.2 -3,-0.3 2,-0.3 -0.860 38.9-125.4-101.0 129.6 24.1 -8.9 30.5 63 63 A P E - J 0 72B 68 0, 0.0 -47,-0.6 0, 0.0 2,-0.4 -0.588 29.6-175.4 -77.5 130.3 27.5 -10.6 29.6 64 64 A I E -EJ 15 71B 1 7,-3.9 7,-3.0 -2,-0.3 2,-0.6 -0.944 17.3-147.4-124.6 146.8 28.0 -11.2 25.9 65 65 A E E -EJ 14 70B 59 -51,-1.4 -51,-1.4 -2,-0.4 2,-0.5 -0.928 17.4-179.0-118.6 107.4 30.9 -12.9 24.2 66 66 A I E > S-EJ 13 69B 0 3,-3.0 3,-3.2 -2,-0.6 -53,-0.2 -0.928 74.2 -24.2-108.3 121.1 31.8 -11.5 20.8 67 67 A C T 3 S- 0 0 70 -55,-1.2 -1,-0.2 -2,-0.5 3,-0.1 0.819 128.9 -48.9 47.0 36.7 34.7 -13.3 18.9 68 68 A G T 3 S+ 0 0 58 1,-0.3 2,-0.6 -3,-0.1 -1,-0.3 0.426 114.9 120.4 86.9 -4.1 36.0 -14.5 22.2 69 69 A H E < - J 0 66B 76 -3,-3.2 -3,-3.0 2,-0.0 2,-0.5 -0.850 51.8-153.0 -95.5 124.6 35.8 -11.0 23.8 70 70 A K E + J 0 65B 134 -2,-0.6 2,-0.3 -5,-0.3 -5,-0.2 -0.876 23.0 162.7-103.5 126.8 33.5 -11.0 26.8 71 71 A V E - J 0 64B 18 -7,-3.0 -7,-3.9 -2,-0.5 2,-0.4 -0.959 30.0-133.7-137.8 154.2 31.8 -7.7 27.7 72 72 A I E + J 0 63B 83 -2,-0.3 2,-0.3 -9,-0.3 -11,-0.1 -0.923 43.3 127.4-111.5 134.9 28.8 -6.8 29.9 73 73 A G E - 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