==== 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 VIRAL PROTEIN, HYDROLASE 26-JUN-00 1F7D . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: FELINE IMMUNODEFICIENCY VIRUS; . AUTHOR G.S.PRASAD,E.A.STURA,J.H.ELDER,C.D.STOUT . 235 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15064.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 57.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 31.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 30 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 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 0 PARALLEL BRIDGES PER LADDER . 2 3 3 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 2 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 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 M 0 0 90 0, 0.0 2,-0.3 0, 0.0 43,-0.1 0.000 360.0 360.0 360.0 125.3 4.6 17.1 41.9 2 2 A I + 0 0 80 41,-0.4 41,-2.4 2,-0.0 2,-0.3 -0.571 360.0 179.9 -72.7 129.6 6.9 19.8 40.6 3 3 A I E -A 42 0A 59 -2,-0.3 2,-0.4 39,-0.2 39,-0.2 -0.902 19.2-160.9-126.1 157.3 6.5 20.6 36.9 4 4 A E E +A 41 0A 130 37,-2.7 37,-2.5 -2,-0.3 2,-0.2 -0.916 54.7 39.3-136.3 113.1 8.2 23.0 34.6 5 5 A G S S- 0 0 30 -2,-0.4 3,-0.3 35,-0.2 35,-0.2 -0.641 76.5 -91.7 133.4 166.9 6.4 23.8 31.4 6 6 A D S S+ 0 0 34 33,-0.4 34,-0.1 -2,-0.2 33,-0.1 0.107 94.3 75.9-106.0 12.7 3.3 24.5 29.5 7 7 A G S S+ 0 0 2 32,-0.1 14,-2.6 -3,-0.1 2,-0.4 0.109 76.1 74.1-120.7 27.6 2.1 21.2 28.3 8 8 A I B -B 20 0B 17 -3,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.993 61.7-151.4-140.3 135.4 0.6 19.3 31.3 9 9 A L - 0 0 7 10,-1.9 10,-0.3 -2,-0.4 206,-0.1 -0.815 23.1-106.8-108.7 142.7 -2.8 20.0 32.9 10 10 A D - 0 0 44 204,-0.7 2,-0.3 -2,-0.3 9,-0.2 -0.262 42.2-139.5 -53.1 147.7 -4.0 19.5 36.5 11 11 A K - 0 0 58 7,-0.1 2,-0.2 4,-0.1 7,-0.1 -0.792 13.0-105.6-114.9 158.1 -6.5 16.6 36.7 12 12 A R > - 0 0 106 -2,-0.3 3,-1.7 5,-0.2 -1,-0.0 -0.534 34.7-117.0 -68.7 149.0 -9.7 16.1 38.5 13 13 A S T 3 S+ 0 0 121 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.757 115.0 59.8 -59.5 -20.1 -9.4 13.7 41.5 14 14 A E T 3 S+ 0 0 143 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.555 92.7 83.2 -92.6 8.6 -11.7 11.3 39.7 15 15 A D < - 0 0 62 -3,-1.7 -4,-0.1 1,-0.1 3,-0.0 -0.801 69.3-145.8-108.7 149.0 -9.4 11.0 36.8 16 16 A A S S+ 0 0 66 -2,-0.4 87,-0.5 86,-0.1 2,-0.3 0.852 74.2 33.5 -73.9 -35.8 -6.5 8.7 36.5 17 17 A G S S- 0 0 8 85,-0.2 2,-0.4 -7,-0.1 85,-0.2 -0.800 70.4-115.9-130.2 161.8 -4.1 10.8 34.4 18 18 A Y E - C 0 101B 50 83,-2.5 83,-2.2 -2,-0.3 2,-0.1 -0.832 39.2-113.5 -93.7 133.1 -2.9 14.3 33.5 19 19 A D E - C 0 100B 31 -2,-0.4 -10,-1.9 -10,-0.3 2,-0.4 -0.420 26.2-152.4 -64.3 137.2 -3.5 15.6 30.0 20 20 A L E -BC 8 99B 0 79,-2.8 78,-3.0 -12,-0.2 79,-1.0 -0.907 12.5-150.4-107.5 137.6 -0.3 16.1 28.0 21 21 A L E - C 0 97B 1 -14,-2.6 2,-0.4 -2,-0.4 76,-0.2 -0.817 18.8-110.3-112.8 148.3 -0.4 18.7 25.2 22 22 A A - 0 0 1 74,-2.2 73,-3.3 71,-0.3 16,-0.2 -0.642 20.2-153.0 -70.7 127.8 1.4 19.1 21.9 23 23 A A S S+ 0 0 43 14,-2.8 2,-0.3 -2,-0.4 15,-0.1 0.663 78.7 12.6 -78.0 -14.5 3.9 22.0 22.1 24 24 A K S S- 0 0 122 13,-0.4 2,-0.1 69,-0.1 71,-0.1 -0.947 97.7 -77.7-150.9 165.6 3.7 22.6 18.4 25 25 A E - 0 0 90 -2,-0.3 2,-0.4 69,-0.1 68,-0.2 -0.423 47.7-163.2 -66.2 139.3 1.5 21.6 15.5 26 26 A I E -F 92 0C 12 66,-2.7 66,-3.3 -2,-0.1 2,-0.5 -0.995 10.0-158.8-131.2 128.1 2.3 18.1 14.2 27 27 A H E -F 91 0C 93 -2,-0.4 2,-0.5 64,-0.2 64,-0.2 -0.919 9.5-172.4-107.1 133.4 1.3 16.5 10.9 28 28 A L E -F 90 0C 1 62,-2.9 62,-2.2 -2,-0.5 3,-0.1 -0.941 6.0-161.7-128.0 108.4 1.3 12.7 10.7 29 29 A L > - 0 0 99 -2,-0.5 3,-2.5 60,-0.2 55,-0.4 -0.390 51.7 -68.8 -70.6 163.8 0.8 10.9 7.4 30 30 A P T 3 S+ 0 0 62 0, 0.0 55,-0.2 0, 0.0 -1,-0.2 -0.309 125.9 16.6 -52.6 132.4 -0.3 7.3 7.5 31 31 A G T 3 S+ 0 0 55 53,-3.0 2,-0.3 55,-0.4 54,-0.1 0.298 93.7 134.0 86.5 -9.9 2.6 5.2 8.8 32 32 A E < - 0 0 68 -3,-2.5 52,-2.3 52,-0.2 2,-0.4 -0.592 36.8-164.1 -82.6 138.6 4.5 8.2 10.3 33 33 A V E +G 83 0D 75 -2,-0.3 2,-0.3 50,-0.2 50,-0.2 -0.976 14.8 170.7-114.0 127.2 6.0 8.1 13.8 34 34 A K E -G 82 0D 74 48,-2.5 48,-2.7 -2,-0.4 2,-0.8 -0.992 36.5-125.1-136.4 147.8 7.1 11.3 15.5 35 35 A V E -G 81 0D 96 -2,-0.3 46,-0.2 46,-0.2 -2,-0.0 -0.839 32.5-150.2 -87.2 112.0 8.2 12.3 18.9 36 36 A I E -G 80 0D 0 44,-3.3 44,-2.4 -2,-0.8 2,-0.1 -0.724 8.9-134.9 -89.8 121.9 5.9 15.0 19.9 37 37 A P E -G 79 0D 30 0, 0.0 -14,-2.8 0, 0.0 -13,-0.4 -0.495 18.8-173.4 -73.4 145.9 7.4 17.6 22.3 38 38 A T - 0 0 1 40,-1.8 -17,-0.2 -16,-0.2 41,-0.1 0.512 34.6-128.1-107.7 -14.2 5.2 18.7 25.2 39 39 A G + 0 0 30 39,-0.4 2,-0.4 1,-0.2 -33,-0.4 0.625 67.4 129.1 77.2 8.2 7.4 21.4 26.6 40 40 A V + 0 0 0 38,-0.5 38,-3.0 -35,-0.2 2,-0.3 -0.846 35.2 177.2-109.9 135.4 7.2 19.7 30.1 41 41 A K E +A 4 0A 92 -37,-2.5 -37,-2.7 -2,-0.4 2,-0.3 -0.934 17.6 176.9-116.9 152.2 9.8 18.6 32.6 42 42 A L E -A 3 0A 6 34,-0.4 2,-0.7 -2,-0.3 -39,-0.2 -0.988 34.5-129.4-151.5 167.2 8.8 17.1 35.9 43 43 A M - 0 0 88 -41,-2.4 -41,-0.4 -2,-0.3 30,-0.1 -0.902 32.1-146.4-113.6 97.0 10.0 15.6 39.1 44 44 A L - 0 0 7 -2,-0.7 2,-0.1 28,-0.6 3,-0.1 -0.350 29.4 -97.9 -60.3 148.0 8.1 12.3 39.6 45 45 A P > - 0 0 47 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.357 46.8 -96.4 -66.5 142.3 7.4 11.5 43.2 46 46 A K T 3 S+ 0 0 150 1,-0.3 3,-0.1 -2,-0.1 -3,-0.0 -0.363 112.3 31.8 -60.5 133.9 9.9 9.1 44.8 47 47 A G T 3 S+ 0 0 34 1,-0.3 59,-2.6 -3,-0.1 2,-0.3 0.410 109.8 85.0 97.3 1.3 8.6 5.5 44.6 48 48 A Y E < -D 105 0B 99 -3,-1.7 -1,-0.3 57,-0.3 2,-0.3 -0.877 53.5-160.5-134.9 160.3 6.7 6.1 41.4 49 49 A W E -D 104 0B 65 55,-2.5 55,-2.5 -2,-0.3 2,-0.5 -0.838 26.6-113.6-129.4 173.6 7.1 6.1 37.6 50 50 A G E -DE 103 70B 0 20,-3.0 20,-3.1 -2,-0.3 2,-0.6 -0.944 16.4-156.5-117.4 126.5 5.0 7.7 34.9 51 51 A L E -DE 102 69B 44 51,-3.0 51,-2.7 -2,-0.5 2,-0.6 -0.892 6.9-156.4 -98.3 118.5 2.9 5.8 32.3 52 52 A I E +D 101 0B 8 16,-2.8 2,-0.3 -2,-0.6 49,-0.2 -0.893 28.8 163.8 -92.8 121.8 2.2 7.8 29.1 53 53 A I E -D 100 0B 72 47,-2.5 47,-2.7 -2,-0.6 13,-0.1 -0.907 35.9 -82.4-140.1 163.8 -0.9 6.3 27.5 54 54 A G - 0 0 28 -2,-0.3 2,-0.3 45,-0.2 45,-0.2 -0.273 28.8-125.8 -73.8 151.6 -3.4 7.2 24.9 55 55 A K > - 0 0 37 43,-0.4 4,-3.0 1,-0.1 3,-0.3 -0.738 23.1-127.9 -80.0 143.2 -6.5 9.4 25.2 56 56 A S H > S+ 0 0 109 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.869 109.0 55.9 -63.6 -36.7 -9.6 7.6 24.0 57 57 A S H 4 S+ 0 0 72 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.853 114.0 39.7 -64.9 -33.7 -10.4 10.5 21.7 58 58 A I H >4>S+ 0 0 9 -3,-0.3 3,-1.5 2,-0.2 5,-1.2 0.882 113.1 53.1 -79.6 -43.8 -7.1 10.3 20.1 59 59 A G H ><5S+ 0 0 39 -4,-3.0 3,-2.2 1,-0.3 -2,-0.2 0.860 99.7 63.7 -60.8 -33.7 -6.9 6.5 19.9 60 60 A S T 3<5S+ 0 0 95 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.719 98.1 57.1 -66.2 -16.5 -10.3 6.4 18.2 61 61 A K T < 5S- 0 0 125 -3,-1.5 -1,-0.3 -4,-0.2 27,-0.2 0.403 124.8-103.1 -87.7 -1.3 -8.7 8.3 15.3 62 62 A G T < 5S+ 0 0 21 -3,-2.2 23,-1.7 1,-0.3 24,-0.9 0.759 77.5 135.3 81.8 28.2 -6.1 5.5 14.9 63 63 A L E < -H 84 0D 8 -5,-1.2 2,-0.3 21,-0.2 -1,-0.3 -0.899 35.8-162.3-101.7 137.9 -3.2 7.3 16.5 64 64 A D E -H 83 0D 84 19,-2.5 19,-2.4 -2,-0.4 2,-0.5 -0.902 17.8-131.4-121.7 149.9 -1.1 5.2 19.0 65 65 A V E -H 82 0D 18 -2,-0.3 2,-0.2 17,-0.2 17,-0.2 -0.891 25.8-159.9 -91.9 124.4 1.4 6.0 21.8 66 66 A L E +H 81 0D 63 15,-2.6 15,-0.6 -2,-0.5 2,-0.2 -0.651 62.4 5.7-100.7 161.5 4.5 4.0 21.5 67 67 A G - 0 0 75 -2,-0.2 -2,-0.1 1,-0.1 13,-0.0 -0.474 66.1-175.4 64.4-138.7 6.9 3.4 24.4 68 68 A G + 0 0 11 1,-0.2 -16,-2.8 -2,-0.2 2,-0.6 0.395 32.9 120.0 133.6 -6.0 5.3 5.0 27.5 69 69 A V E -E 51 0B 86 -18,-0.2 2,-0.6 -20,-0.0 -1,-0.2 -0.822 31.7-177.1-103.6 118.2 7.7 4.7 30.4 70 70 A I E -E 50 0B 17 -20,-3.1 -20,-3.0 -2,-0.6 2,-0.1 -0.947 25.5-140.7-104.2 115.3 9.0 7.8 32.3 71 71 A D > - 0 0 107 -2,-0.6 3,-2.6 -22,-0.2 -27,-0.2 -0.468 22.5-109.2 -77.0 147.6 11.4 6.6 34.9 72 72 A E T 3 S+ 0 0 54 1,-0.3 -28,-0.6 -24,-0.1 -1,-0.1 0.806 117.5 48.6 -49.0 -40.0 11.4 8.3 38.3 73 73 A G T 3 S+ 0 0 55 -30,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.419 78.3 120.9 -87.5 6.6 14.7 10.0 37.6 74 74 A Y < + 0 0 103 -3,-2.6 -30,-0.4 1,-0.2 -32,-0.3 -0.577 26.7 164.9 -76.5 122.7 13.9 11.4 34.2 75 75 A R + 0 0 111 -2,-0.4 -1,-0.2 -34,-0.1 3,-0.1 0.335 40.8 94.2-120.4 -1.6 14.3 15.2 34.3 76 76 A G S S- 0 0 26 1,-0.2 -34,-0.4 -35,-0.1 2,-0.1 -0.181 89.8 -60.4 -86.2-173.3 14.4 16.2 30.6 77 77 A E - 0 0 88 -36,-0.1 2,-0.4 1,-0.1 -36,-0.2 -0.477 54.9-119.3 -67.0 133.2 11.5 17.3 28.3 78 78 A I - 0 0 1 -38,-3.0 -40,-1.8 -2,-0.1 -38,-0.5 -0.590 30.2-171.3 -74.5 126.6 8.8 14.8 27.9 79 79 A G E -G 37 0D 27 -2,-0.4 2,-0.6 -42,-0.2 -44,-0.1 -0.951 14.9-143.1-112.9 140.9 8.2 13.7 24.3 80 80 A V E -G 36 0D 1 -44,-2.4 -44,-3.3 -2,-0.4 2,-0.8 -0.936 13.3-139.7-102.7 119.0 5.2 11.5 23.4 81 81 A I E -GH 35 66D 62 -2,-0.6 -15,-2.6 -15,-0.6 2,-0.4 -0.722 30.9-178.8 -81.1 113.6 6.0 8.9 20.7 82 82 A M E -GH 34 65D 0 -48,-2.7 -48,-2.5 -2,-0.8 2,-0.4 -0.944 12.2-171.3-119.9 135.3 3.0 9.0 18.4 83 83 A I E -GH 33 64D 28 -19,-2.4 -19,-2.5 -2,-0.4 2,-1.1 -0.976 23.3-135.7-125.7 137.9 2.3 6.9 15.3 84 84 A N E + H 0 63D 0 -52,-2.3 -53,-3.0 -2,-0.4 -21,-0.2 -0.786 31.0 167.2 -86.7 95.9 -0.5 7.2 12.7 85 85 A V + 0 0 94 -23,-1.7 -22,-0.2 -2,-1.1 -1,-0.2 0.385 52.1 89.7 -90.5 3.5 -1.4 3.6 12.3 86 86 A S S S- 0 0 27 -24,-0.9 -55,-0.4 2,-0.2 -24,-0.1 -0.361 85.1-120.1 -84.3 179.4 -4.6 4.7 10.5 87 87 A R S S+ 0 0 251 -57,-0.1 2,-0.4 -2,-0.1 -1,-0.1 0.135 87.3 80.9-109.5 21.3 -4.9 5.2 6.8 88 88 A K S S- 0 0 156 -27,-0.2 -2,-0.2 -59,-0.1 -60,-0.0 -0.987 83.2-113.8-123.9 136.1 -5.9 8.8 7.0 89 89 A S - 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