==== 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 17-OCT-01 1K6V . 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) . 9997.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 6.1 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 . 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 4 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 0 PARALLEL BRIDGES PER LADDER . 2 1 4 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 86 0, 0.0 198,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0-172.6 11.9 15.4 29.4 2 2 A Q E -A 198 0A 124 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.987 360.0-160.6-122.8 123.9 8.3 15.2 28.2 3 3 A I E -A 197 0A 42 194,-3.2 194,-2.5 -2,-0.5 2,-0.1 -0.908 4.4-153.4-109.0 124.0 7.6 14.3 24.6 4 4 A T E -A 196 0A 69 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.481 15.1-132.8 -86.9 165.0 4.2 15.1 22.9 5 5 A L S S+ 0 0 3 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.149 71.0 112.4-109.6 22.3 2.9 12.9 20.1 6 6 A W S S+ 0 0 196 185,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.816 93.6 17.5 -61.4 -29.3 1.9 15.5 17.5 7 7 A K S S- 0 0 150 -3,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.854 112.7 -63.2-134.3 170.8 4.7 14.1 15.4 8 8 A R - 0 0 126 -2,-0.3 2,-2.1 1,-0.1 119,-0.1 -0.315 53.8-118.8 -55.8 131.4 6.8 11.0 15.4 9 9 A P + 0 0 4 0, 0.0 15,-2.4 0, 0.0 2,-0.4 -0.497 47.6 172.0 -76.6 80.8 8.8 10.9 18.7 10 10 A L E +D 23 0B 74 -2,-2.1 2,-0.3 13,-0.2 13,-0.2 -0.735 4.2 173.6 -93.3 138.8 12.3 11.0 17.2 11 11 A V E -D 22 0B 12 11,-2.7 11,-3.1 -2,-0.4 2,-0.4 -0.910 34.4 -99.6-138.0 163.9 15.4 11.4 19.4 12 12 A T E -D 21 0B 76 -2,-0.3 55,-2.2 9,-0.2 2,-0.3 -0.719 39.3-175.1 -89.2 132.3 19.1 11.3 19.1 13 13 A I E -DE 20 66B 1 7,-3.3 7,-2.4 -2,-0.4 2,-0.5 -0.875 17.1-144.1-124.7 159.3 20.9 8.1 20.0 14 14 A R E +DE 19 65B 114 51,-2.3 51,-2.5 -2,-0.3 2,-0.3 -0.983 29.4 156.1-126.6 119.5 24.6 7.1 20.2 15 15 A I E > -DE 18 64B 2 3,-2.5 3,-2.6 -2,-0.5 49,-0.1 -0.991 66.9 -2.9-146.2 136.8 25.7 3.6 19.3 16 16 A G T 3 S- 0 0 61 47,-0.6 3,-0.1 -2,-0.3 48,-0.1 0.794 129.2 -59.3 55.2 27.7 29.0 2.1 18.1 17 17 A G T 3 S+ 0 0 47 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.297 115.0 113.1 86.0 -9.9 30.3 5.7 18.2 18 18 A Q E < -D 15 0B 106 -3,-2.6 -3,-2.5 0, 0.0 2,-0.5 -0.754 60.8-135.9-101.9 144.3 27.7 7.0 15.7 19 19 A L E +D 14 0B 119 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.815 34.0 164.4 -95.8 132.0 24.9 9.4 16.3 20 20 A K E -D 13 0B 41 -7,-2.4 -7,-3.3 -2,-0.5 2,-0.5 -0.914 37.7-111.5-141.0 166.6 21.5 8.5 14.8 21 21 A E E -D 12 0B 127 -2,-0.3 62,-0.5 -9,-0.2 2,-0.3 -0.880 38.1-178.1-102.9 132.7 17.8 9.4 15.0 22 22 A A E -D 11 0B 0 -11,-3.1 -11,-2.7 -2,-0.5 2,-0.4 -0.968 26.1-120.8-134.9 150.6 15.5 6.8 16.5 23 23 A L E -Df 10 84B 11 60,-2.6 62,-2.8 -2,-0.3 2,-0.9 -0.734 21.8-132.5 -89.5 128.5 11.8 6.5 17.2 24 24 A L E - f 0 85B 0 -15,-2.4 2,-0.6 -2,-0.4 62,-0.1 -0.748 34.2-173.7 -82.0 109.3 10.7 5.9 20.8 25 25 A D > + 0 0 19 60,-2.4 3,-1.2 -2,-0.9 62,-0.3 -0.860 27.1 178.7-118.1 103.5 8.3 3.0 20.3 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.680 86.8 60.8 -70.5 -17.8 6.2 1.7 23.2 27 27 A G T 3 S+ 0 0 15 96,-0.1 2,-0.5 81,-0.1 -1,-0.3 0.551 88.5 86.3 -86.2 -7.8 4.6 -0.8 20.8 28 28 A A < - 0 0 18 -3,-1.2 59,-2.6 57,-0.2 60,-0.2 -0.820 57.7-165.1 -97.5 127.6 7.9 -2.4 20.0 29 29 A D S S+ 0 0 47 -2,-0.5 59,-1.0 57,-0.2 2,-0.2 0.828 77.0 33.8 -76.2 -33.8 9.1 -5.2 22.3 30 30 A D S S- 0 0 63 57,-0.1 2,-0.5 56,-0.1 57,-0.1 -0.691 85.0-108.4-118.3 170.2 12.7 -5.1 20.9 31 31 A T - 0 0 1 43,-0.4 45,-2.8 -2,-0.2 2,-0.5 -0.890 33.2-171.0-102.5 124.5 15.1 -2.5 19.6 32 32 A V E -gH 76 84B 7 52,-1.6 52,-3.4 -2,-0.5 2,-0.3 -0.969 0.9-169.3-122.8 123.2 15.7 -2.6 15.8 33 33 A L E -g 77 0B 0 43,-3.1 45,-2.1 -2,-0.5 47,-0.2 -0.769 30.1 -97.5-110.5 154.8 18.4 -0.6 14.1 34 34 A E - 0 0 83 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.238 65.5 -66.8 -63.4 156.6 19.1 0.0 10.4 35 35 A E S S+ 0 0 114 43,-0.5 2,-0.3 45,-0.2 -1,-0.2 -0.185 71.4 156.6 -47.7 125.0 21.7 -2.1 8.7 36 36 A M - 0 0 19 -3,-0.1 2,-1.7 2,-0.0 -3,-0.1 -0.972 48.5-112.6-156.1 143.9 25.1 -1.3 10.2 37 37 A N + 0 0 159 -2,-0.3 -2,-0.0 40,-0.0 0, 0.0 -0.514 43.3 175.5 -82.7 77.6 28.4 -3.1 10.5 38 38 A L - 0 0 16 -2,-1.7 2,-0.1 1,-0.1 -2,-0.0 -0.560 27.6-122.6 -82.5 143.2 28.8 -3.7 14.3 39 39 A P + 0 0 110 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.407 66.3 55.5 -80.7 162.1 31.7 -5.8 15.6 40 40 A G S S- 0 0 60 -2,-0.1 2,-0.2 19,-0.0 -2,-0.0 -0.359 88.5 -52.8 108.5 171.1 31.1 -8.9 17.7 41 41 A R + 0 0 94 -2,-0.1 19,-0.4 19,-0.1 2,-0.3 -0.531 54.1 176.0 -84.4 152.8 29.3 -12.2 17.5 42 42 A W - 0 0 127 -2,-0.2 17,-0.2 17,-0.1 -2,-0.0 -0.935 20.1-135.9-148.9 168.4 25.6 -12.3 16.7 43 43 A K E -I 58 0B 121 15,-1.3 15,-2.4 -2,-0.3 13,-0.0 -0.983 28.4-104.3-133.0 145.2 22.9 -14.8 16.1 44 44 A P E +I 57 0B 87 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.316 42.8 171.0 -66.4 148.5 20.1 -15.0 13.4 45 45 A K E -I 56 0B 74 11,-1.7 11,-3.0 2,-0.0 2,-0.5 -0.991 28.2-138.9-157.2 153.2 16.6 -14.1 14.4 46 46 A M E -I 55 0B 116 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.973 21.3-172.5-116.9 126.8 13.2 -13.5 12.8 47 47 A I E -I 54 0B 19 7,-2.2 7,-2.2 -2,-0.5 2,-0.4 -0.960 16.4-133.3-121.8 141.4 11.0 -10.6 14.1 48 48 A G E +I 53 0B 49 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.784 25.6 172.4 -99.3 132.8 7.4 -9.9 13.1 49 49 A G E > -I 52 0B 20 3,-3.8 3,-1.4 -2,-0.4 102,-0.1 -0.504 53.1 -71.7-118.6-170.6 6.1 -6.5 12.2 50 50 A I T 3 S+ 0 0 49 1,-0.2 101,-0.2 -2,-0.2 3,-0.1 0.888 129.3 34.2 -52.1 -48.3 2.8 -5.3 10.8 51 51 A G T 3 S- 0 0 22 99,-1.6 2,-0.3 101,-0.3 -1,-0.2 0.066 126.9 -68.3-101.5 27.5 3.2 -6.6 7.3 52 52 A G E < -I 49 0B 29 -3,-1.4 -3,-3.8 98,-0.3 2,-0.3 -0.840 68.0 -42.4 127.9-165.5 5.2 -9.8 8.1 53 53 A F E -I 48 0B 140 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.778 39.1-166.1-107.1 150.0 8.6 -11.0 9.3 54 54 A I E -I 47 0B 25 -7,-2.2 -7,-2.2 -2,-0.3 2,-0.4 -0.949 25.1-116.5-130.3 153.0 12.0 -9.8 8.5 55 55 A K E +I 46 0B 147 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.765 40.6 173.8 -92.3 131.5 15.4 -11.5 9.2 56 56 A V E -I 45 0B 3 -11,-3.0 -11,-1.7 -2,-0.4 2,-0.5 -0.846 31.9-116.0-132.9 170.4 17.7 -9.6 11.6 57 57 A R E -IJ 44 77B 38 20,-2.9 20,-2.8 -2,-0.3 2,-0.6 -0.938 26.8-143.7-111.8 124.3 21.0 -10.0 13.5 58 58 A Q E -IJ 43 76B 33 -15,-2.4 -15,-1.3 -2,-0.5 2,-0.4 -0.788 17.3-177.7 -94.4 119.8 20.9 -10.0 17.2 59 59 A Y E - J 0 75B 6 16,-2.9 16,-2.8 -2,-0.6 3,-0.3 -0.949 13.1-151.3-114.0 133.3 23.8 -8.4 19.2 60 60 A D E + 0 0 79 -2,-0.4 14,-0.2 -19,-0.4 -19,-0.1 -0.649 66.7 17.0-104.7 162.1 23.8 -8.5 23.0 61 61 A Q E S+ 0 0 131 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.874 75.4 164.8 47.8 49.5 25.2 -6.2 25.6 62 62 A I E - J 0 73B 25 11,-2.5 11,-1.7 -3,-0.3 2,-0.2 -0.853 36.1-129.2 -97.7 121.8 25.6 -3.2 23.3 63 63 A P E + J 0 72B 89 0, 0.0 -47,-0.6 0, 0.0 2,-0.4 -0.523 34.4 176.2 -70.1 132.9 26.1 0.1 25.0 64 64 A I E -EJ 15 71B 5 7,-3.1 7,-1.6 -2,-0.2 2,-0.6 -0.994 23.4-148.0-143.7 133.8 23.7 2.7 23.8 65 65 A E E -EJ 14 70B 64 -51,-2.5 -51,-2.3 -2,-0.4 2,-0.6 -0.893 12.9-163.9-104.0 124.3 23.0 6.3 24.8 66 66 A I E > S-EJ 13 69B 0 3,-3.6 3,-1.5 -2,-0.6 -53,-0.2 -0.897 70.4 -34.5-114.0 106.6 19.4 7.6 24.4 67 67 A C T 3 S- 0 0 56 -55,-2.2 -1,-0.2 -2,-0.6 -54,-0.1 0.898 127.9 -41.9 51.5 45.0 18.9 11.3 24.5 68 68 A G T 3 S+ 0 0 57 -56,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.490 117.6 115.1 83.7 3.0 21.8 11.6 27.0 69 69 A H E < - J 0 66B 67 -3,-1.5 -3,-3.6 2,-0.0 -1,-0.2 -0.932 62.0-132.5-110.7 123.9 20.7 8.6 29.1 70 70 A K E + J 0 65B 169 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.443 34.0 160.4 -75.0 143.8 23.0 5.5 29.1 71 71 A A E - 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