==== 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 27-JUN-00 1F7K . 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 . 234 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14680.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 58.5 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 31.2 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 . 32 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.8 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 98 0, 0.0 2,-0.4 0, 0.0 43,-0.1 0.000 360.0 360.0 360.0 152.7 7.1 16.4 43.3 2 2 A I + 0 0 95 41,-0.4 41,-2.0 42,-0.0 2,-0.3 -0.680 360.0 172.1 -85.1 129.0 9.5 18.8 41.7 3 3 A I E -A 42 0A 68 -2,-0.4 2,-0.4 39,-0.2 39,-0.2 -0.783 23.0-143.5-128.5 174.1 9.3 19.4 38.0 4 4 A E E +A 41 0A 122 37,-2.1 37,-1.8 -2,-0.3 3,-0.2 -0.967 61.9 28.7-141.8 121.4 10.9 21.7 35.4 5 5 A G S S- 0 0 46 -2,-0.4 3,-0.3 35,-0.2 35,-0.1 -0.280 74.7-103.3 115.7 159.6 9.0 23.1 32.5 6 6 A D S S+ 0 0 80 1,-0.2 -1,-0.1 -2,-0.1 34,-0.1 0.102 89.1 99.9-109.0 23.8 5.4 24.0 31.6 7 7 A G S S+ 0 0 3 -3,-0.2 14,-3.0 13,-0.1 2,-0.4 0.339 74.1 65.1 -88.7 8.0 4.7 21.0 29.4 8 8 A I B S-B 20 0B 15 -3,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.997 73.8-143.2-132.8 133.3 2.8 19.1 32.2 9 9 A L - 0 0 12 10,-2.2 10,-0.2 -2,-0.4 2,-0.2 -0.701 18.9-110.0-103.1 150.0 -0.4 20.2 33.8 10 10 A D - 0 0 55 203,-0.5 2,-0.2 -2,-0.3 9,-0.1 -0.482 38.9-151.2 -68.7 137.8 -1.8 20.0 37.3 11 11 A K - 0 0 60 -2,-0.2 2,-0.1 1,-0.1 7,-0.1 -0.633 14.5-105.3-110.0 168.8 -4.7 17.5 37.6 12 12 A R > - 0 0 56 -2,-0.2 3,-1.5 5,-0.2 -1,-0.1 -0.435 36.9-106.6 -84.8 165.9 -7.7 17.2 39.9 13 13 A S T 3 S+ 0 0 124 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.740 119.0 56.4 -66.8 -20.5 -7.8 14.7 42.7 14 14 A E T 3 S+ 0 0 141 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.376 90.6 88.2 -93.3 4.5 -10.2 12.6 40.7 15 15 A D < - 0 0 62 -3,-1.5 -4,-0.1 1,-0.1 3,-0.0 -0.845 66.1-146.8-104.8 144.9 -8.0 12.2 37.6 16 16 A A S S+ 0 0 66 -2,-0.4 87,-0.5 1,-0.1 2,-0.3 0.881 73.0 25.7 -75.3 -41.2 -5.5 9.5 37.3 17 17 A G S S- 0 0 3 85,-0.1 2,-0.4 83,-0.0 85,-0.2 -0.868 71.0-111.0-133.9 166.4 -2.8 11.3 35.3 18 18 A Y E - C 0 101B 58 83,-2.3 83,-2.2 -2,-0.3 2,-0.2 -0.737 39.3-117.3 -90.0 129.7 -1.3 14.6 34.3 19 19 A D E - C 0 100B 25 -2,-0.4 -10,-2.2 81,-0.2 2,-0.4 -0.439 26.3-148.9 -67.8 134.3 -1.8 15.9 30.8 20 20 A L E -BC 8 99B 0 79,-2.7 78,-2.2 -12,-0.2 79,-1.0 -0.874 9.2-145.0-107.3 136.9 1.5 16.2 28.8 21 21 A L E - C 0 97B 2 -14,-3.0 2,-0.4 -2,-0.4 76,-0.2 -0.747 17.4-114.1-105.0 151.1 1.9 18.9 26.1 22 22 A A - 0 0 0 74,-2.0 73,-2.9 -2,-0.3 16,-0.2 -0.648 18.8-150.8 -78.9 131.2 3.7 18.8 22.8 23 23 A A S S+ 0 0 40 14,-3.1 2,-0.3 -2,-0.4 15,-0.1 0.638 75.7 8.8 -78.9 -15.5 6.7 21.2 22.9 24 24 A K S S- 0 0 108 13,-0.4 72,-0.1 69,-0.1 -1,-0.1 -0.984 92.9 -76.1-158.8 162.8 6.5 21.8 19.1 25 25 A E - 0 0 102 -2,-0.3 2,-0.4 69,-0.1 68,-0.2 -0.338 46.7-166.2 -63.8 140.3 4.4 21.1 16.1 26 26 A I E -F 92 0C 9 66,-2.2 66,-2.8 -2,-0.0 2,-0.4 -0.995 12.1-162.1-135.8 134.8 4.7 17.6 14.7 27 27 A H E -F 91 0C 100 -2,-0.4 2,-0.4 64,-0.2 64,-0.2 -0.942 11.1-171.7-114.3 134.9 3.6 16.1 11.5 28 28 A L E -F 90 0C 1 62,-2.5 62,-1.6 -2,-0.4 3,-0.1 -0.959 9.4-155.3-133.0 118.5 3.2 12.4 11.1 29 29 A L > - 0 0 103 -2,-0.4 3,-2.8 60,-0.2 55,-0.4 -0.518 51.4 -69.4 -84.0 156.8 2.6 10.4 7.9 30 30 A P T 3 S+ 0 0 63 0, 0.0 55,-0.2 0, 0.0 -1,-0.2 -0.156 125.1 13.0 -47.6 130.0 0.9 7.0 8.2 31 31 A G T 3 S+ 0 0 59 53,-3.5 2,-0.3 1,-0.2 54,-0.1 0.459 94.8 139.2 82.0 2.2 3.3 4.6 9.8 32 32 A E < - 0 0 54 -3,-2.8 52,-1.5 52,-0.2 2,-0.5 -0.645 37.7-156.8 -86.4 135.2 5.7 7.3 11.0 33 33 A V E +G 83 0D 82 -2,-0.3 2,-0.3 50,-0.2 50,-0.2 -0.930 18.3 168.1-111.9 128.0 7.4 7.2 14.4 34 34 A K E -G 82 0D 81 48,-2.3 48,-2.4 -2,-0.5 2,-0.9 -0.997 35.6-129.3-140.3 143.7 8.6 10.3 16.1 35 35 A V E -G 81 0D 97 -2,-0.3 46,-0.2 46,-0.2 -2,-0.0 -0.822 30.4-152.5 -93.5 104.0 9.8 11.1 19.6 36 36 A I E -G 80 0D 0 44,-2.7 44,-2.6 -2,-0.9 2,-0.2 -0.626 9.2-134.9 -79.9 129.8 7.8 14.2 20.6 37 37 A P E -G 79 0D 36 0, 0.0 -14,-3.1 0, 0.0 -13,-0.4 -0.572 21.7-178.1 -86.3 150.8 9.4 16.5 23.1 38 38 A T - 0 0 5 40,-1.0 -17,-0.2 -16,-0.2 41,-0.1 0.559 33.1-133.3-118.0 -23.1 7.5 18.0 26.1 39 39 A G + 0 0 31 39,-0.4 2,-0.3 1,-0.3 -33,-0.1 0.489 64.0 122.5 80.9 2.6 10.2 20.1 27.7 40 40 A V - 0 0 0 38,-0.4 38,-2.7 -33,-0.1 2,-0.3 -0.749 38.0-174.4-104.2 148.3 9.5 18.8 31.2 41 41 A K E -A 4 0A 72 -37,-1.8 -37,-2.1 -2,-0.3 2,-0.3 -0.897 11.8-171.3-128.1 155.0 11.8 17.1 33.6 42 42 A L E -A 3 0A 12 34,-0.5 2,-0.6 -2,-0.3 -39,-0.2 -0.992 30.4-137.7-151.7 160.4 10.8 15.6 36.9 43 43 A M - 0 0 91 -41,-2.0 -41,-0.4 -2,-0.3 3,-0.1 -0.801 34.0-150.2-115.2 82.4 12.0 14.1 40.1 44 44 A L - 0 0 8 -2,-0.6 3,-0.1 30,-0.4 2,-0.1 -0.175 28.2 -97.5 -52.5 147.2 9.6 11.2 40.6 45 45 A P > - 0 0 50 0, 0.0 3,-1.6 0, 0.0 2,-0.2 -0.373 47.4 -90.2 -67.9 148.2 9.1 10.4 44.3 46 46 A K T 3 S+ 0 0 180 1,-0.2 3,-0.1 -3,-0.1 -3,-0.0 -0.388 113.5 29.3 -62.4 127.7 11.1 7.6 45.7 47 47 A G T 3 S+ 0 0 33 1,-0.3 59,-2.8 -2,-0.2 2,-0.3 0.440 107.3 84.9 103.3 2.8 9.3 4.3 45.4 48 48 A Y E < -D 105 0B 105 -3,-1.6 -1,-0.3 57,-0.3 2,-0.3 -0.936 53.0-160.4-136.2 156.6 7.4 5.1 42.2 49 49 A W E -D 104 0B 66 55,-2.2 55,-1.9 -2,-0.3 2,-0.4 -0.773 25.6-114.6-125.4 172.2 7.9 5.1 38.4 50 50 A G E -DE 103 70B 0 20,-3.1 20,-3.8 -2,-0.3 2,-0.5 -0.943 17.7-157.0-119.0 135.1 5.9 7.0 35.8 51 51 A L E -DE 102 69B 42 51,-2.8 51,-2.5 -2,-0.4 2,-0.6 -0.926 5.3-153.8-110.4 123.3 3.8 5.6 33.1 52 52 A I E +D 101 0B 7 16,-2.5 2,-0.3 -2,-0.5 49,-0.2 -0.842 28.0 168.1 -92.6 124.4 3.0 7.5 29.8 53 53 A I E -D 100 0B 74 47,-2.5 47,-2.2 -2,-0.6 13,-0.1 -0.936 32.2 -89.8-136.9 159.3 -0.3 6.4 28.4 54 54 A G - 0 0 36 -2,-0.3 2,-0.4 45,-0.2 45,-0.2 -0.197 24.8-130.4 -74.2 159.5 -2.6 7.6 25.7 55 55 A K >> - 0 0 50 43,-0.4 4,-2.5 1,-0.1 3,-0.5 -0.845 22.2-124.6-102.9 141.5 -5.5 10.0 25.8 56 56 A S H 3> S+ 0 0 109 -2,-0.4 4,-2.4 1,-0.2 -1,-0.1 0.822 105.9 58.6 -55.7 -35.4 -8.8 9.0 24.2 57 57 A S H 34 S+ 0 0 58 1,-0.2 -1,-0.2 2,-0.2 41,-0.0 0.892 115.1 33.1 -64.8 -42.1 -9.0 12.0 22.0 58 58 A I H X4>S+ 0 0 6 -3,-0.5 3,-1.3 1,-0.2 5,-1.3 0.803 116.6 56.6 -84.4 -29.5 -5.7 11.4 20.2 59 59 A G H ><5S+ 0 0 36 -4,-2.5 3,-2.2 1,-0.3 -2,-0.2 0.897 99.5 58.8 -67.1 -38.1 -6.0 7.7 20.4 60 60 A S T 3<5S+ 0 0 85 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.462 99.7 61.9 -70.3 3.8 -9.3 7.8 18.6 61 61 A K T < 5S- 0 0 110 -3,-1.3 -1,-0.3 2,-0.2 -2,-0.2 0.359 125.2 -98.8-106.0 -1.2 -7.4 9.5 15.8 62 62 A G T < 5S+ 0 0 21 -3,-2.2 23,-2.3 1,-0.3 24,-0.5 0.732 80.7 131.4 90.8 22.3 -5.1 6.4 15.2 63 63 A L E < -H 84 0D 8 -5,-1.3 -1,-0.3 21,-0.2 2,-0.3 -0.898 34.6-168.2-108.3 139.3 -2.1 7.6 17.2 64 64 A D E -H 83 0D 83 19,-1.9 19,-1.7 -2,-0.4 2,-0.5 -0.874 18.8-129.3-126.1 159.1 -0.5 5.3 19.8 65 65 A V E -H 82 0D 20 -2,-0.3 17,-0.2 17,-0.2 2,-0.2 -0.934 24.7-164.3-109.0 126.2 2.1 5.8 22.5 66 66 A L E +H 81 0D 60 15,-2.8 15,-0.6 -2,-0.5 2,-0.1 -0.618 60.3 3.3-105.4 167.3 5.1 3.4 22.5 67 67 A G + 0 0 68 -2,-0.2 -2,-0.1 1,-0.1 13,-0.1 -0.392 65.2 169.8 58.0-129.5 7.5 2.7 25.3 68 68 A G + 0 0 12 1,-0.2 -16,-2.5 11,-0.2 2,-0.7 0.529 22.6 129.7 105.5 5.7 6.2 4.9 28.2 69 69 A V E -E 51 0B 86 -18,-0.2 2,-0.7 -20,-0.0 -1,-0.2 -0.844 34.0-168.7-101.8 113.2 8.2 3.9 31.3 70 70 A I E -E 50 0B 17 -20,-3.8 -20,-3.1 -2,-0.7 2,-0.2 -0.877 18.0-142.3 -99.0 116.0 9.8 6.7 33.2 71 71 A D > - 0 0 107 -2,-0.7 3,-1.9 -22,-0.2 -27,-0.2 -0.491 17.7-118.9 -78.0 148.7 12.2 5.3 35.8 72 72 A E T 3 S+ 0 0 69 1,-0.3 -28,-0.2 -2,-0.2 -1,-0.1 0.807 113.3 51.4 -55.1 -33.5 12.5 6.9 39.2 73 73 A G T 3 S+ 0 0 57 -30,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.473 82.3 114.0 -86.8 -1.5 16.1 7.8 38.6 74 74 A Y < + 0 0 108 -3,-1.9 -30,-0.4 1,-0.1 -32,-0.2 -0.505 30.2 168.1 -72.7 136.8 15.6 9.5 35.3 75 75 A R + 0 0 124 -2,-0.2 -1,-0.1 -32,-0.1 3,-0.1 0.352 43.7 102.4-126.9 -0.3 16.3 13.2 35.2 76 76 A G S S- 0 0 28 1,-0.2 -34,-0.5 -35,-0.1 2,-0.2 -0.075 86.4 -73.4 -74.7-176.3 16.3 13.9 31.5 77 77 A E - 0 0 79 -36,-0.1 2,-0.4 1,-0.1 -36,-0.2 -0.540 52.5-112.3 -78.2 145.0 13.5 15.5 29.6 78 78 A I - 0 0 2 -38,-2.7 -40,-1.0 -2,-0.2 -39,-0.4 -0.640 33.8-167.9 -82.2 132.8 10.4 13.4 29.1 79 79 A G E -G 37 0D 30 -2,-0.4 2,-0.6 -42,-0.2 -11,-0.2 -0.939 14.1-142.7-123.2 145.2 9.7 12.3 25.5 80 80 A V E -G 36 0D 1 -44,-2.6 -44,-2.7 -2,-0.4 2,-0.8 -0.924 12.0-145.7-109.0 116.4 6.6 10.8 24.1 81 81 A I E -GH 35 66D 61 -2,-0.6 -15,-2.8 -15,-0.6 2,-0.4 -0.735 27.6-178.8 -84.9 110.9 7.1 8.1 21.4 82 82 A M E -GH 34 65D 0 -48,-2.4 -48,-2.3 -2,-0.8 2,-0.4 -0.902 14.3-172.4-116.2 138.8 4.2 8.4 19.0 83 83 A I E -GH 33 64D 18 -19,-1.7 -19,-1.9 -2,-0.4 2,-1.0 -0.971 24.4-134.7-126.8 144.5 3.3 6.5 15.8 84 84 A N E + H 0 63D 0 -52,-1.5 -53,-3.5 -55,-0.4 -52,-0.2 -0.855 30.8 169.2 -94.8 102.0 0.5 7.2 13.4 85 85 A V + 0 0 94 -23,-2.3 -22,-0.2 -2,-1.0 -1,-0.1 0.180 50.5 90.6 -99.0 15.5 -0.9 3.7 12.9 86 86 A S S S- 0 0 22 -24,-0.5 -55,-0.2 2,-0.2 -24,-0.1 -0.292 86.8-112.5 -97.0-173.5 -3.9 5.1 11.0 87 87 A R S S+ 0 0 241 -2,-0.1 2,-0.3 -57,-0.1 -25,-0.1 0.342 89.0 68.7-107.0 9.7 -4.2 5.6 7.3 88 88 A K S S- 0 0 95 -59,-0.1 -2,-0.2 -26,-0.0 2,-0.1 -0.910 84.5-101.4-129.2 156.0 -4.3 9.4 7.2 89 89 A S - 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