==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-JUL-07 2QMP . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR T.J.ALLISON . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10125.0 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 . 73 36.9 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 . 24 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.6 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 2 3 0 0 2 1 3 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 85 0, 0.0 198,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 164.3 0.8 4.0 -4.9 2 2 A Q E -A 198 0A 139 196,-0.2 2,-0.6 197,-0.2 196,-0.2 -0.975 360.0-155.2-106.1 123.1 0.6 6.4 -2.0 3 3 A I E -A 197 0A 29 194,-3.5 194,-2.2 -2,-0.5 2,-0.0 -0.884 6.9-135.9-109.8 121.6 -0.4 9.9 -3.2 4 4 A T - 0 0 57 -2,-0.6 3,-0.2 192,-0.2 192,-0.1 -0.285 2.6-148.4 -65.8 152.0 0.5 13.0 -1.3 5 5 A L S S+ 0 0 1 190,-0.5 186,-0.2 1,-0.1 -1,-0.1 0.276 77.0 99.1-105.4 10.9 -2.0 15.8 -0.7 6 6 A W S S+ 0 0 178 185,-0.1 2,-0.3 184,-0.1 -1,-0.1 0.824 96.6 24.4 -59.1 -34.2 0.7 18.6 -0.8 7 7 A Q S S- 0 0 121 -3,-0.2 0, 0.0 3,-0.0 0, 0.0 -0.816 111.5 -72.6-122.5 166.8 -0.4 19.1 -4.4 8 8 A R - 0 0 139 -2,-0.3 2,-2.2 1,-0.1 119,-0.1 -0.432 52.0-118.1 -56.2 127.9 -3.6 18.4 -6.3 9 9 A P + 0 0 3 0, 0.0 15,-2.7 0, 0.0 2,-0.4 -0.486 48.5 173.2 -73.7 76.6 -3.8 14.6 -6.7 10 10 A L E +D 23 0B 68 -2,-2.2 2,-0.3 13,-0.2 13,-0.2 -0.705 4.0 175.3 -89.8 133.9 -3.7 14.6 -10.5 11 11 A V E -D 22 0B 14 11,-2.8 11,-2.7 -2,-0.4 2,-0.4 -0.897 32.9-106.8-132.5 163.6 -3.4 11.3 -12.4 12 12 A T E -D 21 0B 91 -2,-0.3 55,-2.0 9,-0.2 2,-0.3 -0.789 37.2-171.8 -91.5 131.1 -3.5 10.2 -16.1 13 13 A I E -DE 20 66B 2 7,-3.3 7,-2.3 -2,-0.4 2,-0.5 -0.872 17.0-145.0-118.3 154.8 -6.6 8.4 -17.2 14 14 A K E +DE 19 65B 105 51,-2.4 51,-2.1 -2,-0.3 2,-0.3 -0.991 31.7 155.0-119.9 123.1 -7.5 6.5 -20.4 15 15 A I E > -DE 18 64B 2 3,-2.5 3,-2.5 -2,-0.5 49,-0.1 -0.983 63.8 -5.2-150.3 132.3 -11.1 6.8 -21.6 16 16 A G T 3 S- 0 0 51 47,-0.5 3,-0.1 -2,-0.3 21,-0.1 0.802 128.8 -54.6 54.8 34.0 -12.7 6.5 -25.0 17 17 A G T 3 S+ 0 0 80 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.416 116.7 115.0 82.9 0.3 -9.3 6.1 -26.7 18 18 A Q E < -D 15 0B 80 -3,-2.5 -3,-2.5 2,-0.0 2,-0.5 -0.813 60.4-139.5-111.3 142.4 -8.2 9.4 -25.1 19 19 A L E +D 14 0B 125 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.864 34.4 167.7 -95.8 129.2 -5.5 10.2 -22.5 20 20 A K E -D 13 0B 39 -7,-2.3 -7,-3.3 -2,-0.5 2,-0.4 -0.954 35.7-120.8-139.8 155.2 -6.6 12.9 -20.0 21 21 A E E +D 12 0B 123 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.845 37.9 177.7 -95.4 136.1 -5.5 14.4 -16.7 22 22 A A E -D 11 0B 0 -11,-2.7 -11,-2.8 -2,-0.4 2,-0.4 -0.987 28.3-118.1-143.6 152.4 -8.0 14.1 -13.9 23 23 A L E -Df 10 84B 7 60,-3.0 62,-3.5 -2,-0.3 2,-0.8 -0.738 21.9-131.6 -91.8 126.9 -8.3 14.9 -10.2 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.4 62,-0.1 -0.723 36.0-174.5 -75.0 112.9 -8.8 12.1 -7.6 25 25 A D > + 0 0 15 60,-2.6 3,-1.0 -2,-0.8 62,-0.3 -0.873 27.2 178.4-127.8 97.8 -11.7 13.7 -5.7 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.2 98,-0.1 0.681 85.8 61.8 -72.2 -18.8 -13.0 12.0 -2.6 27 27 A G T 3 S+ 0 0 13 81,-0.1 2,-0.5 96,-0.1 -1,-0.2 0.662 87.7 86.6 -77.3 -19.7 -15.5 14.8 -2.2 28 28 A A < - 0 0 19 -3,-1.0 59,-3.0 57,-0.2 60,-0.2 -0.742 58.3-163.5 -90.0 125.2 -17.2 14.0 -5.5 29 29 A D S S+ 0 0 50 -2,-0.5 59,-1.2 57,-0.2 2,-0.3 0.885 79.4 35.2 -62.0 -40.8 -20.0 11.4 -5.6 30 30 A D S S- 0 0 45 57,-0.2 2,-0.4 56,-0.1 57,-0.1 -0.808 84.1-111.4-122.0 153.8 -19.6 11.2 -9.3 31 31 A T E -g 75 0B 0 43,-0.5 45,-2.6 -2,-0.3 2,-0.4 -0.719 36.4-173.4 -81.2 127.7 -17.0 11.3 -12.0 32 32 A V E -gH 76 84B 6 52,-1.4 52,-3.0 -2,-0.4 2,-0.3 -0.987 2.3-173.6-131.3 124.9 -17.3 14.4 -14.2 33 33 A L E -g 77 0B 0 43,-3.0 45,-2.4 -2,-0.4 47,-0.2 -0.858 29.8-102.2-118.8 150.9 -15.2 15.1 -17.3 34 34 A E S S- 0 0 86 -2,-0.3 -1,-0.1 43,-0.2 50,-0.0 -0.163 71.2 -52.6 -61.2 163.2 -14.9 18.1 -19.6 35 35 A E S S+ 0 0 117 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.066 80.2 135.6 -50.7 131.4 -16.8 17.9 -23.0 36 36 A M - 0 0 16 -3,-0.2 2,-0.3 2,-0.0 -3,-0.1 -0.963 52.8 -96.5-166.4 162.5 -16.0 14.8 -24.9 37 37 A N + 0 0 130 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.739 37.1 179.5 -92.8 141.2 -17.6 12.1 -27.0 38 38 A L - 0 0 8 -2,-0.3 2,-0.1 2,-0.1 -2,-0.0 -0.983 27.3-108.7-137.4 149.7 -18.6 8.7 -25.5 39 39 A P S S+ 0 0 94 0, 0.0 2,-0.0 0, 0.0 -23,-0.0 -0.361 70.9 15.6 -75.8 156.1 -20.3 5.6 -26.9 40 40 A G S S- 0 0 65 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.205 96.6 -19.6 88.9-170.1 -23.8 4.4 -26.1 41 41 A R - 0 0 237 19,-0.1 19,-0.5 -2,-0.0 2,-0.3 -0.366 55.4-178.1 -76.4 151.3 -26.9 5.8 -24.5 42 42 A W E -I 59 0B 132 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.974 12.1-158.9-142.4 159.4 -26.9 8.9 -22.2 43 43 A K E -I 58 0B 110 15,-1.4 15,-3.1 -2,-0.3 2,-0.1 -0.975 31.0-101.2-134.2 152.6 -29.5 10.8 -20.2 44 44 A P E +I 57 0B 83 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.401 42.1 174.1 -74.1 152.0 -29.3 14.4 -18.8 45 45 A K E -I 56 0B 71 11,-2.1 11,-3.1 -2,-0.1 2,-0.5 -0.976 26.1-133.0-151.1 153.0 -28.5 15.0 -15.2 46 46 A M E -I 55 0B 112 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.959 20.7-173.0-111.6 128.8 -27.8 18.0 -12.9 47 47 A I E -I 54 0B 17 7,-2.3 7,-2.6 -2,-0.5 2,-0.2 -0.959 10.4-170.7-121.3 144.7 -24.8 17.9 -10.5 48 48 A G E +I 53 0B 37 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.651 23.2 118.3-130.0 176.1 -24.2 20.6 -8.0 49 49 A G E > +I 52 0B 21 3,-0.6 3,-2.4 -2,-0.2 100,-0.1 -0.983 68.5 8.1 158.8-151.1 -21.8 22.0 -5.4 50 50 A I T 3 S+ 0 0 24 -2,-0.3 101,-1.9 1,-0.3 102,-0.6 -0.351 131.9 18.9 -62.0 127.8 -19.9 25.2 -4.8 51 51 A G T 3 S- 0 0 33 128,-0.4 2,-0.3 100,-0.2 -1,-0.3 0.118 122.1 -91.2 98.1 -20.6 -21.2 27.8 -7.3 52 52 A G E < -I 49 0B 26 -3,-2.4 -3,-0.6 100,-0.1 99,-0.3 -0.863 64.6 -27.1 115.6-150.6 -24.4 25.9 -8.0 53 53 A F E -I 48 0B 135 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.735 39.0-164.1-112.1 152.0 -25.4 23.3 -10.6 54 54 A I E -I 47 0B 20 -7,-2.6 -7,-2.3 -2,-0.3 2,-0.4 -0.970 25.3-119.2-127.7 149.4 -24.4 22.3 -14.1 55 55 A K E +I 46 0B 146 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.746 39.0 175.8 -86.6 132.4 -26.2 20.1 -16.7 56 56 A V E -I 45 0B 4 -11,-3.1 -11,-2.1 -2,-0.4 2,-0.5 -0.876 32.7-115.4-131.8 162.1 -24.3 17.0 -17.7 57 57 A R E -IJ 44 77B 48 20,-2.7 20,-2.3 -2,-0.3 2,-0.6 -0.894 29.5-143.5 -98.2 129.4 -24.8 14.0 -19.9 58 58 A Q E -IJ 43 76B 31 -15,-3.1 -15,-1.4 -2,-0.5 2,-0.5 -0.848 17.0-175.2 -99.2 116.0 -24.7 10.7 -18.0 59 59 A Y E -IJ 42 75B 7 16,-2.6 16,-2.9 -2,-0.6 3,-0.3 -0.943 11.6-154.6-109.1 124.3 -23.1 7.7 -19.6 60 60 A D E + 0 0 71 -19,-0.5 14,-0.2 -2,-0.5 -19,-0.1 -0.599 66.6 21.3 -97.7 157.7 -23.3 4.3 -17.8 61 61 A Q E S+ 0 0 162 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.894 78.5 164.8 57.3 47.0 -21.0 1.2 -18.0 62 62 A I E - J 0 73B 13 11,-2.6 11,-2.0 -3,-0.3 2,-0.4 -0.809 34.4-129.8 -97.9 133.6 -18.0 3.1 -19.3 63 63 A L E + J 0 72B 126 -2,-0.4 -47,-0.5 9,-0.2 2,-0.3 -0.680 33.0 172.2 -82.9 130.0 -14.6 1.6 -19.3 64 64 A I E -EJ 15 71B 5 7,-2.7 7,-2.9 -2,-0.4 2,-0.5 -0.978 26.7-148.6-135.6 149.5 -11.8 3.7 -17.8 65 65 A E E -EJ 14 70B 47 -51,-2.1 -51,-2.4 -2,-0.3 2,-0.6 -0.991 18.6-168.8-116.0 119.7 -8.2 3.0 -16.9 66 66 A I E > -EJ 13 69B 0 3,-3.2 3,-2.9 -2,-0.5 -53,-0.2 -0.950 68.5 -31.0-115.0 115.7 -7.1 5.1 -13.9 67 67 A C T 3 S- 0 0 54 -55,-2.0 -1,-0.2 -2,-0.6 -54,-0.1 0.873 129.3 -42.3 45.5 46.7 -3.4 5.3 -13.0 68 68 A G T 3 S+ 0 0 62 -56,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.280 117.8 111.1 87.6 -9.5 -3.0 1.7 -14.4 69 69 A H E < - J 0 66B 71 -3,-2.9 -3,-3.2 2,-0.0 2,-0.2 -0.870 60.6-137.7-106.2 125.3 -6.1 0.3 -12.8 70 70 A K E + J 0 65B 164 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.543 31.3 163.4 -78.4 140.8 -9.1 -0.8 -15.0 71 71 A A E - J 0 64B 9 -7,-2.9 -7,-2.7 -2,-0.2 2,-0.4 -0.971 26.6-143.9-148.8 162.5 -12.6 0.1 -13.8 72 72 A I E + J 0 63B 95 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.990 41.3 106.7-128.0 140.8 -16.2 0.4 -15.1 73 73 A G E - 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