==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-OCT-01 1K6P . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR C.A.SCHIFFER . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9737.0 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 . 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 . 25 12.6 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 79 0, 0.0 198,-1.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 172.1 11.7 15.2 29.5 2 2 A Q E -A 198 0A 126 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.967 360.0-158.0-113.6 124.9 8.1 15.1 28.3 3 3 A I E -A 197 0A 33 194,-3.6 194,-2.6 -2,-0.5 2,-0.1 -0.912 4.5-149.4-108.6 122.9 7.6 14.1 24.7 4 4 A T E -A 196 0A 75 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.494 10.6-138.0 -85.5 159.3 4.3 15.0 22.9 5 5 A L S S+ 0 0 3 190,-0.5 186,-0.2 1,-0.2 -1,-0.1 0.159 73.6 106.2-105.2 20.5 2.9 12.8 20.1 6 6 A W S S+ 0 0 187 2,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.868 95.7 24.2 -62.9 -33.6 1.8 15.4 17.6 7 7 A K S S- 0 0 171 -3,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.801 113.9 -70.6-123.6 165.7 4.9 14.2 15.7 8 8 A R - 0 0 126 -2,-0.3 2,-2.4 1,-0.1 119,-0.1 -0.337 54.6-112.8 -56.3 132.3 6.7 11.0 15.7 9 9 A P + 0 0 2 0, 0.0 15,-2.6 0, 0.0 2,-0.5 -0.433 52.2 172.0 -72.0 77.9 8.6 10.7 19.0 10 10 A L E +D 23 0B 82 -2,-2.4 2,-0.3 13,-0.2 13,-0.2 -0.784 4.2 171.6 -94.5 128.0 12.1 11.0 17.4 11 11 A V E -D 22 0B 11 11,-2.8 11,-2.8 -2,-0.5 2,-0.4 -0.890 35.2-101.5-130.6 161.3 15.1 11.4 19.7 12 12 A T E -D 21 0B 64 -2,-0.3 55,-2.6 9,-0.2 2,-0.3 -0.676 39.1-174.8 -87.2 133.5 18.9 11.3 19.3 13 13 A I E -DE 20 66B 1 7,-3.1 7,-2.5 -2,-0.4 2,-0.5 -0.884 17.5-144.2-125.2 158.9 20.8 8.1 20.2 14 14 A R E +DE 19 65B 112 51,-2.1 51,-2.4 -2,-0.3 2,-0.3 -0.979 30.0 153.3-127.1 119.0 24.4 7.1 20.4 15 15 A I E > +DE 18 64B 2 3,-2.4 3,-2.1 -2,-0.5 49,-0.1 -0.988 68.8 3.3-146.2 135.5 25.5 3.6 19.5 16 16 A G T 3 S- 0 0 55 47,-0.5 3,-0.1 -2,-0.3 -1,-0.1 0.864 128.9 -62.8 58.6 33.9 28.8 2.3 18.1 17 17 A G T 3 S+ 0 0 48 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.399 114.4 116.1 73.3 -4.6 30.1 5.8 18.5 18 18 A Q E < -D 15 0B 103 -3,-2.1 -3,-2.4 0, 0.0 2,-0.4 -0.766 61.1-135.0-101.8 143.8 27.6 7.0 15.9 19 19 A L E +D 14 0B 126 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.774 33.9 165.5 -93.9 138.0 24.7 9.5 16.5 20 20 A K E -D 13 0B 52 -7,-2.5 -7,-3.1 -2,-0.4 2,-0.5 -0.938 38.0-112.1-145.8 167.4 21.3 8.6 15.0 21 21 A E E -D 12 0B 109 -2,-0.3 62,-0.5 -9,-0.2 2,-0.3 -0.893 39.1-180.0-103.7 133.0 17.6 9.5 15.2 22 22 A A E -D 11 0B 0 -11,-2.8 -11,-2.8 -2,-0.5 2,-0.4 -0.991 26.7-120.2-138.8 146.5 15.4 6.8 16.7 23 23 A L E -Df 10 84B 8 60,-2.7 62,-2.8 -2,-0.3 2,-1.0 -0.685 20.0-132.9 -87.0 127.6 11.7 6.4 17.4 24 24 A L E - f 0 85B 0 -15,-2.6 2,-0.6 -2,-0.4 62,-0.1 -0.735 35.2-174.0 -80.3 108.2 10.6 5.9 21.0 25 25 A D > - 0 0 18 60,-2.3 3,-1.1 -2,-1.0 62,-0.2 -0.877 26.4-178.7-115.9 104.0 8.2 3.0 20.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.2 98,-0.1 0.652 86.2 59.5 -71.6 -14.8 6.0 1.7 23.2 27 27 A G T 3 S+ 0 0 19 81,-0.1 2,-0.5 96,-0.1 -1,-0.2 0.483 86.9 87.8 -91.5 -3.8 4.6 -0.9 20.9 28 28 A A < - 0 0 19 -3,-1.1 59,-2.9 57,-0.2 60,-0.2 -0.849 56.5-165.3 -99.3 126.0 7.9 -2.5 20.0 29 29 A D S S+ 0 0 50 -2,-0.5 59,-1.3 57,-0.2 2,-0.2 0.891 77.3 32.9 -72.8 -40.2 9.1 -5.3 22.4 30 30 A D S S- 0 0 67 57,-0.1 2,-0.5 56,-0.1 57,-0.1 -0.509 86.6-106.4-109.9 177.7 12.6 -5.2 21.0 31 31 A T - 0 0 0 43,-0.4 45,-3.0 54,-0.2 2,-0.5 -0.928 33.0-170.8-109.0 125.9 15.0 -2.6 19.6 32 32 A V E -gH 76 84B 9 52,-1.8 52,-3.3 -2,-0.5 2,-0.3 -0.968 1.3-170.2-124.4 121.9 15.5 -2.6 15.8 33 33 A L E -g 77 0B 0 43,-3.2 45,-2.1 -2,-0.5 47,-0.2 -0.801 30.5 -99.1-112.1 152.3 18.1 -0.5 14.1 34 34 A E E -g 78 0B 76 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.240 67.1 -64.5 -60.8 153.5 18.8 0.1 10.4 35 35 A E S S+ 0 0 112 43,-0.7 2,-0.3 45,-0.2 -1,-0.2 -0.102 71.5 151.7 -43.8 127.0 21.5 -1.9 8.8 36 36 A M - 0 0 19 -3,-0.2 2,-1.4 2,-0.1 -3,-0.1 -0.944 47.2-118.8-159.3 140.7 24.9 -1.2 10.3 37 37 A N + 0 0 145 -2,-0.3 -2,-0.0 40,-0.0 0, 0.0 -0.565 37.0 178.8 -91.5 80.4 28.0 -3.3 10.7 38 38 A L - 0 0 15 -2,-1.4 2,-0.1 1,-0.1 -2,-0.1 -0.493 30.0-115.1 -77.1 143.6 28.7 -3.6 14.4 39 39 A P S S+ 0 0 113 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.368 71.1 58.7 -74.7 159.7 31.6 -5.7 15.6 40 40 A G S S- 0 0 61 -2,-0.1 2,-0.1 19,-0.0 -2,-0.0 -0.345 87.0 -56.2 111.0 166.7 31.0 -8.8 17.6 41 41 A R - 0 0 93 -2,-0.1 19,-0.4 19,-0.1 2,-0.3 -0.444 51.5-179.8 -81.2 157.0 29.1 -12.1 17.4 42 42 A W - 0 0 118 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.977 21.8-130.9-152.5 161.4 25.4 -12.3 16.7 43 43 A K E -I 58 0B 115 15,-1.5 15,-2.7 -2,-0.3 2,-0.1 -0.930 30.3-110.9-118.5 142.8 22.6 -14.8 16.2 44 44 A P E +I 57 0B 86 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.385 43.9 173.0 -69.0 149.9 20.1 -14.9 13.4 45 45 A K E -I 56 0B 80 11,-1.8 11,-3.0 -2,-0.1 2,-0.4 -0.994 29.0-135.6-158.1 159.3 16.5 -14.0 14.2 46 46 A M E -I 55 0B 120 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.968 20.8-176.9-120.0 132.1 13.0 -13.3 12.8 47 47 A I E -I 54 0B 18 7,-1.7 7,-2.0 -2,-0.4 2,-0.4 -0.986 15.6-140.3-130.6 141.3 10.8 -10.5 14.1 48 48 A G E +I 53 0B 51 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.854 25.5 162.5-106.8 135.3 7.3 -9.7 13.0 49 49 A G E > -I 52 0B 24 3,-2.9 3,-1.7 -2,-0.4 100,-0.1 -0.636 59.2 -64.6-129.6-171.5 5.9 -6.3 12.4 50 50 A I T 3 S+ 0 0 51 1,-0.3 101,-0.2 -2,-0.2 103,-0.1 0.885 130.5 41.1 -46.3 -53.0 2.8 -5.0 10.6 51 51 A G T 3 S- 0 0 20 99,-1.0 2,-0.3 101,-0.4 -1,-0.3 0.242 123.2 -84.3 -86.7 17.5 3.8 -6.1 7.1 52 52 A G E < -I 49 0B 28 -3,-1.7 -3,-2.9 98,-0.5 2,-0.3 -0.829 65.4 -33.7 120.2-161.7 5.3 -9.5 8.0 53 53 A F E -I 48 0B 142 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.758 43.4-166.8-103.8 148.5 8.6 -10.9 9.2 54 54 A I E -I 47 0B 23 -7,-2.0 -7,-1.7 -2,-0.3 2,-0.4 -0.971 25.7-116.6-131.5 147.2 12.1 -9.7 8.5 55 55 A K E +I 46 0B 127 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.694 41.5 175.4 -84.7 132.0 15.4 -11.4 9.1 56 56 A V E -I 45 0B 3 -11,-3.0 -11,-1.8 -2,-0.4 2,-0.5 -0.906 31.1-118.9-134.4 164.2 17.6 -9.5 11.6 57 57 A R E -IJ 44 77B 34 20,-3.3 20,-2.8 -2,-0.3 2,-0.6 -0.908 26.5-143.7-107.5 124.2 20.9 -10.0 13.4 58 58 A Q E -IJ 43 76B 29 -15,-2.7 -15,-1.5 -2,-0.5 2,-0.4 -0.773 16.3-175.3 -93.5 122.8 20.8 -10.0 17.2 59 59 A Y E - J 0 75B 3 16,-2.7 16,-2.7 -2,-0.6 3,-0.3 -0.939 14.1-146.5-113.1 136.4 23.6 -8.4 19.1 60 60 A D E + 0 0 81 -2,-0.4 14,-0.2 -19,-0.4 -19,-0.1 -0.702 66.7 13.3-105.4 158.1 23.7 -8.6 22.9 61 61 A Q E S+ 0 0 125 -2,-0.3 -1,-0.2 1,-0.2 13,-0.2 0.873 74.5 168.4 49.8 51.8 24.9 -6.2 25.6 62 62 A I E - J 0 73B 25 11,-2.3 11,-1.8 -3,-0.3 2,-0.4 -0.818 33.6-129.6 -97.3 128.2 25.3 -3.2 23.4 63 63 A P E + J 0 72B 91 0, 0.0 -47,-0.5 0, 0.0 2,-0.4 -0.610 34.9 174.4 -74.9 128.5 25.9 0.2 25.2 64 64 A I E -EJ 15 71B 5 7,-2.7 7,-1.8 -2,-0.4 2,-0.6 -0.994 24.2-148.8-142.2 133.4 23.4 2.8 23.9 65 65 A E E -EJ 14 70B 64 -51,-2.4 -51,-2.1 -2,-0.4 2,-0.7 -0.897 13.6-162.2-104.6 118.8 22.8 6.3 25.0 66 66 A I E > S-EJ 13 69B 0 3,-3.6 3,-3.2 -2,-0.6 -53,-0.2 -0.889 70.1 -34.5-106.1 114.4 19.2 7.5 24.5 67 67 A C T 3 S- 0 0 52 -55,-2.6 -1,-0.2 -2,-0.7 -54,-0.1 0.857 127.8 -43.3 44.3 43.0 18.6 11.3 24.6 68 68 A G T 3 S+ 0 0 51 -56,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.126 118.6 109.2 94.1 -22.0 21.4 11.5 27.1 69 69 A H E < - J 0 66B 66 -3,-3.2 -3,-3.6 1,-0.0 -1,-0.2 -0.755 63.9-129.9 -94.1 136.5 20.4 8.5 29.3 70 70 A K E + J 0 65B 170 -2,-0.4 2,-0.3 -5,-0.3 -5,-0.2 -0.550 33.7 158.3 -86.0 146.5 22.5 5.4 29.2 71 71 A A E - J 0 64B 10 -7,-1.8 -7,-2.7 -2,-0.2 2,-0.3 -0.934 19.8-157.6-154.0 167.4 21.2 1.9 28.7 72 72 A I E + J 0 63B 72 -2,-0.3 2,-0.3 -9,-0.2 -11,-0.1 -0.940 34.8 100.5-156.3 130.2 22.6 -1.4 27.6 73 73 A G E - J 0 62B 6 -11,-1.8 -11,-2.3 -2,-0.3 2,-0.2 -0.973 64.5 -25.5-179.6-165.7 20.8 -4.4 26.1 74 74 A T E - 0 0 49 -2,-0.3 2,-0.4 -13,-0.2 -43,-0.4 -0.493 50.0-172.6 -72.9 134.9 19.9 -6.5 23.1 75 75 A V E - J 0 59B 0 -16,-2.7 -16,-2.7 -2,-0.2 2,-0.4 -0.997 12.6-148.0-132.3 130.6 19.7 -4.7 19.8 76 76 A L E -gJ 32 58B 2 -45,-3.0 -43,-3.2 -2,-0.4 2,-0.4 -0.845 11.6-158.9-100.3 133.3 18.5 -6.2 16.5 77 77 A V E +gJ 33 57B 0 -20,-2.8 -20,-3.3 -2,-0.4 -43,-0.2 -0.922 34.5 106.7-113.2 134.2 20.0 -5.0 13.2 78 78 A G E S-g 34 0B 1 -45,-2.1 2,-2.0 -2,-0.4 -43,-0.7 -0.980 74.5 -45.4-178.7-172.7 18.3 -5.4 9.9 79 79 A P S S+ 0 0 92 0, 0.0 -45,-0.1 0, 0.0 -2,-0.0 -0.456 70.1 150.7 -79.2 71.4 16.5 -3.8 6.9 80 80 A T - 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