==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN, HYDROLASE 27-JUN-00 1F7Q . 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 . 347 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15053.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 33.4 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 . 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 . 52 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 3 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 . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 3 2 8 5 1 4 1 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 . 3 2 0 5 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 9 0, 0.0 228,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 167.6 48.1 -5.7 12.1 2 2 A I E +Ab 43 229A 44 41,-0.5 41,-0.6 226,-0.2 2,-0.3 -0.621 360.0 176.4 -80.4 118.5 50.0 -3.9 14.9 3 3 A I E -Ab 42 230A 10 226,-2.2 228,-1.3 -2,-0.5 2,-0.3 -0.813 19.1-158.3-117.5 158.6 47.8 -2.4 17.6 4 4 A E E +A 41 0A 47 37,-1.5 37,-0.8 -2,-0.3 2,-0.3 -0.778 58.9 30.3-141.3 91.0 48.7 -0.5 20.7 5 5 A G E S-A 40 0A 18 -2,-0.3 35,-0.2 35,-0.2 3,-0.1 -0.947 76.8 -95.5 154.3-172.3 46.0 -0.5 23.4 6 6 A D S S+ 0 0 119 33,-0.6 34,-0.1 -2,-0.3 33,-0.1 0.548 90.6 91.6-115.7 -12.7 43.1 -2.4 25.0 7 7 A G S S+ 0 0 6 32,-0.4 14,-2.1 31,-0.3 2,-0.4 0.366 77.7 70.1 -68.0 6.2 40.2 -0.8 23.2 8 8 A I B -E 20 0B 14 12,-0.2 2,-0.4 31,-0.1 12,-0.2 -0.982 60.3-159.3-132.3 140.4 40.0 -3.3 20.4 9 9 A L - 0 0 65 10,-1.4 10,-0.5 -2,-0.4 -3,-0.0 -0.912 25.9-110.6-117.6 140.3 39.1 -7.0 20.2 10 10 A D - 0 0 96 -2,-0.4 9,-0.3 8,-0.1 2,-0.3 -0.011 37.7-140.0 -56.3 170.5 40.0 -9.7 17.6 11 11 A K - 0 0 23 215,-0.3 2,-0.1 7,-0.1 7,-0.1 -0.895 14.2 -99.0-137.6 165.4 37.2 -11.0 15.3 12 12 A R > - 0 0 164 -2,-0.3 3,-1.3 5,-0.2 178,-0.1 -0.428 38.1-117.7 -75.2 155.8 35.9 -14.1 13.6 13 13 A S T 3 S+ 0 0 76 1,-0.3 -1,-0.1 -2,-0.1 151,-0.1 0.733 121.0 55.6 -68.3 -16.2 37.0 -14.5 10.0 14 14 A E T 3 S+ 0 0 75 175,-0.1 176,-1.8 176,-0.1 175,-0.6 0.588 91.5 90.4 -87.9 -11.9 33.2 -14.3 9.4 15 15 A D < - 0 0 52 -3,-1.3 -4,-0.1 173,-0.2 3,-0.0 -0.684 68.0-151.0 -86.2 135.6 33.1 -11.0 11.2 16 16 A A S S+ 0 0 3 -2,-0.4 87,-0.4 1,-0.1 208,-0.3 0.846 70.5 16.5 -76.1 -33.0 33.6 -7.9 9.0 17 17 A G S S- 0 0 2 85,-0.2 2,-0.4 206,-0.1 85,-0.2 -0.904 70.9-105.2-143.4 170.7 35.1 -5.7 11.8 18 18 A Y E - F 0 101B 0 83,-2.4 83,-2.0 -2,-0.3 -8,-0.1 -0.768 39.4-115.9 -96.1 134.1 36.8 -5.3 15.2 19 19 A D E - F 0 100B 28 -10,-0.5 -10,-1.4 -2,-0.4 2,-0.4 -0.407 21.9-148.4 -71.1 140.4 34.9 -4.0 18.2 20 20 A L E -EF 8 99B 0 79,-2.9 78,-2.2 -12,-0.2 79,-1.2 -0.886 11.2-156.1-108.2 138.2 35.9 -0.7 19.8 21 21 A L E - F 0 97B 6 -14,-2.1 2,-0.3 -2,-0.4 76,-0.2 -0.796 28.0 -97.9-113.3 154.7 35.5 -0.1 23.5 22 22 A A - 0 0 2 74,-2.3 73,-2.6 71,-0.3 74,-0.2 -0.576 26.8-150.6 -73.3 129.0 35.2 3.1 25.4 23 23 A A S S- 0 0 37 14,-3.2 2,-0.2 -2,-0.3 72,-0.2 0.986 74.4 -0.9 -62.3 -60.1 38.5 4.1 27.0 24 24 A K S S- 0 0 126 13,-0.4 2,-0.4 70,-0.1 72,-0.2 -0.556 92.3 -77.9-120.0-175.4 37.1 6.0 29.9 25 25 A E - 0 0 99 -2,-0.2 2,-0.5 68,-0.1 68,-0.2 -0.758 51.4-156.9 -86.3 130.9 33.7 6.9 31.3 26 26 A I E -I 92 0C 8 66,-2.7 66,-2.6 -2,-0.4 2,-0.5 -0.945 13.5-152.2-123.0 130.6 32.2 9.8 29.3 27 27 A H E -I 91 0C 104 -2,-0.5 2,-0.6 64,-0.2 64,-0.2 -0.816 11.6-171.5 -94.5 125.2 29.5 12.3 30.3 28 28 A L E -I 90 0C 1 62,-1.8 62,-1.6 -2,-0.5 3,-0.1 -0.881 11.1-153.5-120.2 98.0 27.6 13.7 27.3 29 29 A L > - 0 0 85 -2,-0.6 3,-1.8 60,-0.2 55,-0.3 -0.097 46.5 -66.3 -58.6 167.3 25.3 16.6 28.3 30 30 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.2 0, 0.0 55,-0.1 -0.396 122.8 4.7 -62.5 128.6 22.2 17.2 26.1 31 31 A G T 3 S+ 0 0 39 53,-1.7 2,-0.4 55,-0.3 290,-0.1 0.708 98.9 138.8 71.0 19.9 23.1 18.3 22.6 32 32 A E < - 0 0 57 -3,-1.8 52,-2.7 -4,-0.1 2,-0.5 -0.809 43.4-149.8-101.1 139.3 26.8 17.9 23.3 33 33 A V E + C 0 83A 38 -2,-0.4 2,-0.4 50,-0.3 50,-0.3 -0.909 21.8 179.9-106.0 132.3 29.1 16.3 20.8 34 34 A K E - C 0 82A 77 48,-3.0 48,-1.4 -2,-0.5 2,-0.9 -0.994 32.8-128.6-141.7 137.5 32.1 14.4 22.2 35 35 A V E - C 0 81A 91 -2,-0.4 46,-0.3 46,-0.2 -2,-0.0 -0.707 30.0-146.7 -80.5 106.7 35.1 12.5 20.9 36 36 A I E - C 0 80A 0 44,-4.1 44,-2.8 -2,-0.9 2,-0.1 -0.684 15.2-134.9 -79.5 111.9 34.9 9.2 22.7 37 37 A P E - C 0 79A 23 0, 0.0 -14,-3.2 0, 0.0 -13,-0.4 -0.367 22.6-176.1 -66.9 144.4 38.5 8.0 23.3 38 38 A T E - 0 0 3 40,-1.5 -31,-0.3 -16,-0.2 -32,-0.2 0.642 31.3-133.9-112.3 -27.5 39.2 4.3 22.6 39 39 A G E + 0 0 28 39,-0.5 -33,-0.6 1,-0.3 -32,-0.4 0.807 62.8 118.7 77.0 30.4 42.9 4.2 23.7 40 40 A V E -A 5 0A 0 38,-0.3 38,-2.7 -35,-0.2 2,-0.3 -0.976 43.9-162.7-131.5 143.6 44.1 2.3 20.6 41 41 A K E -AC 4 77A 72 -37,-0.8 -37,-1.5 -2,-0.4 2,-0.3 -0.876 16.8-154.9-117.2 153.5 46.6 3.1 17.9 42 42 A L E -A 3 0A 4 34,-0.5 -39,-0.2 -2,-0.3 2,-0.1 -0.865 26.0-155.7-131.8 165.8 46.9 1.3 14.6 43 43 A M E -A 2 0A 67 -41,-0.6 -41,-0.5 -2,-0.3 3,-0.1 -0.658 30.4-157.8-136.9 71.2 49.2 0.4 11.8 44 44 A L - 0 0 10 30,-0.3 3,-0.1 28,-0.2 4,-0.1 -0.260 29.5 -99.3 -52.7 129.9 46.8 -0.2 9.0 45 45 A P > - 0 0 25 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.159 55.1 -81.0 -51.8 149.7 48.2 -2.3 6.3 46 46 A K T 3 S+ 0 0 192 1,-0.2 3,-0.1 -3,-0.1 202,-0.0 -0.221 116.4 20.2 -52.9 137.8 49.5 -0.3 3.3 47 47 A G T 3 S+ 0 0 31 1,-0.3 59,-1.6 -3,-0.1 -1,-0.2 0.288 105.9 98.7 86.6 -12.0 46.7 0.7 0.9 48 48 A Y E < -G 105 0B 64 -3,-1.9 2,-0.3 57,-0.2 -1,-0.3 -0.615 50.6-161.6-107.5 167.5 43.9 0.3 3.4 49 49 A W E -G 104 0B 0 55,-2.3 55,-2.6 -2,-0.2 2,-0.6 -0.923 23.3-110.1-139.7 164.3 41.9 2.6 5.6 50 50 A G E -GH 103 70B 0 20,-2.8 20,-2.9 -2,-0.3 2,-0.6 -0.870 20.0-157.5-106.8 125.0 39.7 2.1 8.7 51 51 A L E -GH 102 69B 8 51,-3.1 51,-2.5 -2,-0.6 2,-0.6 -0.859 6.9-155.2 -99.7 121.1 36.0 2.6 8.6 52 52 A I E -G 101 0B 10 16,-2.7 2,-0.5 -2,-0.6 16,-0.4 -0.838 13.4-177.8 -94.9 124.1 34.4 3.4 11.9 53 53 A I E -G 100 0B 24 47,-2.3 47,-2.1 -2,-0.6 3,-0.1 -0.979 27.7-118.6-125.1 117.4 30.7 2.4 12.0 54 54 A G E -G 99 0B 16 -2,-0.5 2,-0.5 11,-0.4 45,-0.3 0.028 29.8-102.4 -50.2 157.1 28.8 3.1 15.2 55 55 A K > - 0 0 50 43,-1.6 3,-1.5 1,-0.1 4,-0.4 -0.753 26.5-133.6 -86.3 125.4 27.2 0.3 17.3 56 56 A S T >> S+ 0 0 51 -2,-0.5 3,-2.3 1,-0.3 4,-1.0 0.880 99.8 59.3 -42.6 -54.0 23.5 0.2 16.7 57 57 A S H 3> S+ 0 0 52 1,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.739 103.3 50.5 -52.7 -30.3 22.5 -0.1 20.4 58 58 A I H <4>S+ 0 0 2 -3,-1.5 5,-0.6 2,-0.2 -1,-0.3 0.395 104.0 58.0 -92.6 6.3 24.1 3.2 21.3 59 59 A G H X45S+ 0 0 7 -3,-2.3 3,-0.5 -4,-0.4 -1,-0.2 0.596 107.4 48.5 -99.6 -21.7 22.4 5.1 18.5 60 60 A S H 3<5S+ 0 0 69 -4,-1.0 2,-0.3 1,-0.2 -2,-0.2 0.835 98.4 69.5 -81.0 -37.7 19.1 4.0 20.1 61 61 A K T 3<5S- 0 0 117 -4,-1.2 -1,-0.2 -5,-0.2 -3,-0.1 0.146 130.8 -90.3 -68.9 23.3 20.5 5.1 23.4 62 62 A G T < 5S+ 0 0 14 -3,-0.5 23,-1.7 -2,-0.3 2,-0.4 0.711 91.2 117.7 77.0 25.0 20.1 8.7 22.1 63 63 A L E < -D 84 0A 3 -5,-0.6 2,-0.5 21,-0.2 -1,-0.2 -0.960 49.8-149.9-126.9 142.8 23.6 9.2 20.5 64 64 A D E -D 83 0A 9 19,-2.1 19,-1.8 -2,-0.4 2,-0.9 -0.950 11.0-147.7-115.1 120.7 24.7 9.8 17.0 65 65 A V E -D 82 0A 31 -2,-0.5 -11,-0.4 17,-0.2 17,-0.2 -0.750 24.4-158.6 -91.7 101.9 28.1 8.5 15.8 66 66 A L - 0 0 8 -2,-0.9 15,-0.3 15,-0.9 224,-0.1 0.072 41.8 -18.7 -74.2 178.7 29.6 10.8 13.2 67 67 A G - 0 0 22 222,-0.1 2,-0.6 1,-0.1 14,-0.2 0.242 56.9-171.2 -20.7 107.3 32.3 10.6 10.5 68 68 A G + 0 0 8 -16,-0.4 -16,-2.7 -3,-0.2 2,-0.5 -0.737 24.1 140.8-117.4 86.4 34.5 7.6 11.0 69 69 A V E -H 51 0B 25 -2,-0.6 2,-0.7 -18,-0.2 -18,-0.2 -0.971 27.5-167.4-125.0 117.3 37.5 7.5 8.7 70 70 A I E -H 50 0B 13 -20,-2.9 -20,-2.8 -2,-0.5 2,-0.1 -0.907 22.8-139.5-105.0 112.8 40.9 6.4 9.9 71 71 A D > - 0 0 39 -2,-0.7 3,-1.9 -22,-0.2 -27,-0.2 -0.419 18.3-116.2 -73.8 147.0 43.5 7.3 7.3 72 72 A E T 3 S+ 0 0 50 176,-0.6 -28,-0.2 1,-0.3 177,-0.2 0.822 117.1 47.3 -46.9 -39.2 46.4 5.0 6.4 73 73 A G T 3 S+ 0 0 39 175,-1.4 2,-0.3 -30,-0.1 -1,-0.3 0.610 82.6 113.7 -83.5 -12.2 48.9 7.5 7.7 74 74 A Y < + 0 0 104 -3,-1.9 -30,-0.3 174,-0.3 -32,-0.2 -0.444 32.4 169.6 -64.8 121.1 47.0 8.3 11.0 75 75 A R + 0 0 95 -2,-0.3 -1,-0.1 -34,-0.1 158,-0.1 0.204 44.1 97.8-117.9 14.0 49.2 7.1 13.9 76 76 A G S S- 0 0 22 1,-0.1 -34,-0.5 -35,-0.1 2,-0.3 -0.070 85.5 -67.7 -88.6-167.4 47.3 8.6 16.8 77 77 A E E -C 41 0A 79 -36,-0.1 2,-0.3 1,-0.1 -36,-0.2 -0.666 53.0-113.9 -85.2 138.1 44.6 7.2 19.2 78 78 A I E - 0 0 0 -38,-2.7 -40,-1.5 -2,-0.3 -39,-0.5 -0.549 35.0-172.5 -77.2 129.3 41.3 6.3 17.7 79 79 A G E -C 37 0A 23 -2,-0.3 2,-0.6 -42,-0.2 -44,-0.1 -0.910 17.3-143.0-121.1 149.6 38.4 8.4 18.8 80 80 A V E -C 36 0A 3 -44,-2.8 -44,-4.1 -2,-0.3 2,-0.3 -0.960 18.1-145.1-115.6 115.4 34.7 8.0 18.1 81 81 A I E +C 35 0A 17 -2,-0.6 -15,-0.9 -15,-0.3 2,-0.3 -0.594 26.6 168.2 -81.1 136.9 32.8 11.2 17.6 82 82 A M E -CD 34 65A 0 -48,-1.4 -48,-3.0 -2,-0.3 2,-0.4 -0.989 24.5-145.7-148.6 156.8 29.2 11.4 18.9 83 83 A I E -CD 33 64A 6 -19,-1.8 -19,-2.1 -2,-0.3 2,-1.0 -0.979 21.7-125.8-126.5 137.7 26.4 13.9 19.6 84 84 A N E + D 0 63A 0 -52,-2.7 -53,-1.7 -2,-0.4 -21,-0.2 -0.702 28.8 176.8 -84.9 104.7 23.8 13.8 22.3 85 85 A V + 0 0 45 -23,-1.7 2,-0.3 -2,-1.0 -22,-0.1 -0.234 51.3 74.5-102.2 42.1 20.4 14.0 20.6 86 86 A S S S- 0 0 26 2,-0.2 -55,-0.3 -24,-0.1 4,-0.1 -0.833 86.6-105.5-139.9-180.0 18.1 13.6 23.6 87 87 A R S S+ 0 0 214 -2,-0.3 2,-0.3 -57,-0.1 -25,-0.0 0.301 93.0 63.5 -93.5 7.4 16.9 15.7 26.6 88 88 A K S S- 0 0 129 -59,-0.1 2,-0.2 -26,-0.1 -2,-0.2 -0.929 86.8 -98.1-134.1 157.6 19.0 14.0 29.2 89 89 A S - 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