==== 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 1F7P . 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) . 15283.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.6 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 . 51 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 . 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 0 0 PARALLEL BRIDGES PER LADDER . 3 2 9 4 1 3 2 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 12 0, 0.0 228,-2.1 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 170.6 48.6 -5.7 12.2 2 2 A I E +Ab 43 229A 53 41,-0.5 41,-0.7 226,-0.2 2,-0.3 -0.649 360.0 175.0 -81.6 117.5 50.5 -3.9 14.9 3 3 A I E -Ab 42 230A 9 226,-1.6 228,-1.9 -2,-0.6 2,-0.3 -0.802 20.7-158.3-117.5 159.4 48.3 -2.3 17.5 4 4 A E E +A 41 0A 43 37,-1.5 37,-1.1 -2,-0.3 2,-0.3 -0.835 57.6 34.4-141.6 95.5 49.2 -0.5 20.7 5 5 A G E S-A 40 0A 19 -2,-0.3 35,-0.2 35,-0.2 34,-0.1 -0.965 73.9 -97.8 156.2-170.4 46.5 -0.4 23.3 6 6 A D S S+ 0 0 121 33,-0.9 2,-0.4 -2,-0.3 34,-0.1 0.645 88.0 90.5-117.6 -26.2 43.5 -2.1 25.1 7 7 A G S S+ 0 0 5 31,-0.6 14,-2.3 32,-0.4 2,-0.3 0.262 78.0 72.4 -60.2 13.0 40.5 -0.6 23.4 8 8 A I B -E 20 0B 15 -2,-0.4 2,-0.4 12,-0.2 12,-0.2 -0.969 59.6-153.3-135.7 150.2 40.2 -3.3 20.6 9 9 A L - 0 0 65 10,-1.3 10,-0.5 -2,-0.3 -2,-0.0 -0.947 25.9-108.4-125.1 139.5 39.3 -7.0 20.3 10 10 A D - 0 0 106 -2,-0.4 2,-0.3 8,-0.1 9,-0.2 -0.120 38.1-139.2 -55.5 156.7 40.3 -9.8 17.8 11 11 A K - 0 0 20 215,-0.3 7,-0.1 7,-0.1 -1,-0.1 -0.862 11.3-111.1-124.9 157.3 37.6 -10.9 15.3 12 12 A R > - 0 0 180 -2,-0.3 3,-1.1 5,-0.2 -1,-0.0 -0.350 37.4-114.2 -73.0 163.4 36.4 -14.1 13.8 13 13 A S T 3 S+ 0 0 71 1,-0.2 176,-0.1 212,-0.1 -1,-0.1 0.773 118.6 55.3 -75.1 -22.3 37.2 -14.5 10.1 14 14 A E T 3 S+ 0 0 73 175,-0.1 176,-1.8 174,-0.1 2,-0.5 0.356 92.3 93.6 -88.1 5.8 33.5 -14.3 9.2 15 15 A D < - 0 0 52 -3,-1.1 -4,-0.1 173,-0.2 3,-0.0 -0.859 67.1-152.1-100.3 130.7 33.4 -11.0 11.1 16 16 A A + 0 0 1 -2,-0.5 87,-0.4 1,-0.1 208,-0.3 0.874 69.7 16.1 -70.0 -38.9 33.8 -7.9 9.0 17 17 A G - 0 0 3 85,-0.1 2,-0.3 169,-0.1 85,-0.2 -0.905 69.5-105.7-142.3 169.3 35.3 -5.7 11.8 18 18 A Y E - F 0 101B 0 83,-2.4 83,-2.5 -2,-0.3 2,-0.2 -0.703 37.0-116.3 -93.3 137.7 36.9 -5.3 15.2 19 19 A D E - F 0 100B 28 -10,-0.5 -10,-1.3 -2,-0.3 2,-0.4 -0.456 22.6-152.0 -73.1 139.0 35.1 -4.0 18.3 20 20 A L E -EF 8 99B 0 79,-3.0 78,-2.3 -12,-0.2 79,-1.1 -0.917 10.3-156.9-110.5 137.0 36.2 -0.7 19.8 21 21 A L E - F 0 97B 7 -14,-2.3 2,-0.4 -2,-0.4 76,-0.2 -0.782 27.1 -98.4-113.0 157.5 35.7 -0.1 23.6 22 22 A A - 0 0 3 74,-2.3 73,-2.9 71,-0.3 74,-0.3 -0.626 24.1-149.1 -77.5 126.8 35.5 3.2 25.4 23 23 A A S S- 0 0 43 14,-3.4 2,-0.2 -2,-0.4 15,-0.2 0.933 74.8 -0.4 -59.7 -49.6 38.8 4.1 27.1 24 24 A K S S- 0 0 121 13,-0.4 2,-0.4 70,-0.1 72,-0.2 -0.737 88.4 -77.3-133.6-178.8 37.2 5.9 30.0 25 25 A E - 0 0 97 -2,-0.2 2,-0.4 69,-0.1 68,-0.2 -0.706 50.2-165.2 -83.6 130.6 33.8 7.0 31.5 26 26 A I E -I 92 0C 10 66,-2.0 66,-2.5 -2,-0.4 2,-0.6 -0.971 16.7-151.0-128.6 134.3 32.4 9.9 29.6 27 27 A H E -I 91 0C 103 -2,-0.4 2,-0.7 64,-0.2 64,-0.2 -0.863 10.8-168.3 -99.8 122.3 29.5 12.4 30.4 28 28 A L E -I 90 0C 0 62,-2.0 62,-1.5 -2,-0.6 3,-0.1 -0.915 14.1-147.0-113.2 104.2 27.8 13.8 27.4 29 29 A L > - 0 0 103 -2,-0.7 3,-2.4 60,-0.2 55,-0.3 -0.230 45.2 -70.5 -62.4 159.6 25.5 16.7 28.4 30 30 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.2 0, 0.0 55,-0.1 -0.353 123.2 5.5 -56.8 117.1 22.3 17.1 26.4 31 31 A G T 3 S+ 0 0 39 53,-1.5 2,-0.1 1,-0.3 54,-0.1 0.422 97.9 135.8 88.6 -1.2 23.3 18.3 22.9 32 32 A E < - 0 0 63 -3,-2.4 52,-3.9 51,-0.1 2,-0.5 -0.463 46.0-145.6 -80.4 152.5 27.0 18.0 23.5 33 33 A V E + C 0 83A 41 50,-0.3 2,-0.3 261,-0.1 50,-0.3 -0.987 26.0 179.0-118.5 122.7 29.3 16.5 20.9 34 34 A K E - C 0 82A 71 48,-3.2 48,-2.6 -2,-0.5 2,-0.8 -0.936 32.5-130.2-131.4 153.6 32.2 14.5 22.3 35 35 A V E - C 0 81A 89 -2,-0.3 46,-0.3 46,-0.2 -2,-0.0 -0.871 26.4-150.0 -99.3 106.4 35.2 12.5 21.2 36 36 A I E - C 0 80A 0 44,-3.7 44,-2.7 -2,-0.8 2,-0.1 -0.673 16.0-133.4 -80.1 116.9 35.2 9.2 23.0 37 37 A P E - C 0 79A 22 0, 0.0 -14,-3.4 0, 0.0 -13,-0.4 -0.372 23.1-176.9 -69.6 149.1 38.8 7.9 23.5 38 38 A T E - 0 0 3 40,-1.4 -31,-0.6 -16,-0.2 -32,-0.3 0.587 31.6-134.7-117.5 -24.1 39.5 4.3 22.7 39 39 A G E + 0 0 27 39,-0.5 -33,-0.9 1,-0.2 2,-0.4 0.820 61.1 119.9 73.3 31.7 43.2 4.2 23.7 40 40 A V E -A 5 0A 0 38,-0.4 38,-2.6 -35,-0.2 2,-0.3 -0.979 43.4-160.9-130.5 143.9 44.4 2.3 20.7 41 41 A K E -AC 4 77A 72 -37,-1.1 -37,-1.5 -2,-0.4 2,-0.3 -0.882 17.1-148.8-116.5 152.0 47.0 3.2 18.0 42 42 A L E -A 3 0A 3 34,-0.6 2,-0.2 -2,-0.3 -39,-0.2 -0.876 28.5-164.0-130.0 160.1 47.3 1.5 14.6 43 43 A M E -A 2 0A 59 -41,-0.7 -41,-0.5 -2,-0.3 3,-0.1 -0.714 32.4-161.6-133.8 72.4 49.6 0.5 11.9 44 44 A L - 0 0 11 28,-0.3 3,-0.1 30,-0.3 4,-0.0 -0.312 31.1 -94.3 -57.9 137.2 47.1 -0.2 9.1 45 45 A P > - 0 0 23 0, 0.0 3,-1.6 0, 0.0 2,-0.2 -0.102 55.1 -81.2 -52.7 157.3 48.5 -2.3 6.3 46 46 A K T 3 S+ 0 0 193 1,-0.2 3,-0.1 -3,-0.1 202,-0.0 -0.410 116.1 17.2 -63.2 128.3 49.8 -0.3 3.4 47 47 A G T 3 S+ 0 0 31 1,-0.3 59,-1.2 -2,-0.2 -1,-0.2 0.204 105.6 100.4 95.8 -15.8 47.0 0.8 1.0 48 48 A Y E < -G 105 0B 68 -3,-1.6 -1,-0.3 57,-0.2 2,-0.3 -0.624 50.6-159.8-104.1 162.3 44.2 0.3 3.4 49 49 A W E -G 104 0B 2 55,-2.7 55,-2.7 -2,-0.2 2,-0.5 -0.935 22.2-113.6-135.3 157.9 42.1 2.6 5.6 50 50 A G E -GH 103 70B 0 20,-2.5 20,-2.8 -2,-0.3 2,-0.5 -0.830 20.4-158.2-101.8 126.2 40.0 2.1 8.7 51 51 A L E -GH 102 69B 9 51,-3.1 51,-2.6 -2,-0.5 2,-0.5 -0.871 5.8-155.5-102.6 127.5 36.3 2.6 8.7 52 52 A I E -G 101 0B 13 16,-2.2 2,-0.5 -2,-0.5 16,-0.3 -0.895 12.0-177.0-103.1 123.5 34.5 3.2 12.0 53 53 A I E -G 100 0B 21 47,-2.2 47,-2.3 -2,-0.5 3,-0.1 -0.988 27.8-116.1-122.9 125.8 30.8 2.3 12.2 54 54 A G E -G 99 0B 15 -2,-0.5 2,-0.5 11,-0.3 45,-0.3 -0.040 29.4-104.5 -56.2 158.3 28.9 3.0 15.3 55 55 A K >> - 0 0 45 43,-1.5 3,-1.1 1,-0.2 4,-0.6 -0.774 23.5-135.8 -87.4 125.2 27.3 0.3 17.4 56 56 A S H >> S+ 0 0 44 -2,-0.5 3,-3.6 1,-0.3 4,-1.3 0.926 100.6 65.8 -41.2 -60.0 23.6 0.1 16.8 57 57 A S H 34 S+ 0 0 59 1,-0.3 4,-0.4 2,-0.2 3,-0.3 0.762 101.8 46.7 -31.1 -50.7 23.0 -0.3 20.5 58 58 A I H <4>S+ 0 0 5 -3,-1.1 5,-1.0 1,-0.2 -1,-0.3 0.535 104.8 59.8 -78.5 -7.8 24.3 3.2 21.3 59 59 A G H X<5S+ 0 0 8 -3,-3.6 3,-0.8 -4,-0.6 -1,-0.2 0.758 102.6 52.7 -87.5 -27.4 22.4 5.0 18.6 60 60 A S T 3<5S+ 0 0 70 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.646 99.5 68.7 -78.0 -16.0 19.1 3.8 20.1 61 61 A K T 3 5S- 0 0 119 -4,-0.4 -1,-0.2 -5,-0.3 -2,-0.1 0.039 126.9 -88.6 -94.9 27.6 20.4 5.4 23.3 62 62 A G T < 5S+ 0 0 17 -3,-0.8 23,-2.6 1,-0.2 24,-0.4 0.579 93.0 119.4 80.0 11.2 20.2 9.0 22.3 63 63 A L E < -D 84 0A 4 -5,-1.0 2,-0.5 21,-0.2 -1,-0.2 -0.919 47.6-157.3-116.3 137.8 23.7 9.1 20.8 64 64 A D E -D 83 0A 10 19,-1.7 19,-1.6 -2,-0.4 2,-0.7 -0.952 10.1-147.9-116.1 119.0 24.8 9.8 17.2 65 65 A V E -D 82 0A 29 -2,-0.5 -11,-0.3 17,-0.2 17,-0.2 -0.771 23.2-160.4 -92.4 110.3 28.2 8.5 16.0 66 66 A L - 0 0 8 15,-1.6 15,-0.3 -2,-0.7 224,-0.1 -0.037 40.4 -17.2 -83.7-179.3 29.8 10.7 13.4 67 67 A G - 0 0 23 222,-0.1 2,-0.5 1,-0.1 14,-0.3 0.267 55.4-170.1 -19.7 110.7 32.5 10.6 10.6 68 68 A G + 0 0 6 -16,-0.3 -16,-2.2 -3,-0.1 2,-0.5 -0.699 25.3 139.4-119.1 83.3 34.7 7.6 11.0 69 69 A V E -H 51 0B 27 -2,-0.5 2,-0.8 -18,-0.2 -18,-0.2 -0.961 26.8-169.4-124.3 116.1 37.8 7.6 8.8 70 70 A I E -H 50 0B 14 -20,-2.8 -20,-2.5 -2,-0.5 -2,-0.0 -0.883 24.7-138.5-104.4 106.7 41.2 6.4 10.0 71 71 A D > - 0 0 38 -2,-0.8 3,-0.9 -22,-0.2 -27,-0.2 -0.306 15.7-119.3 -68.6 146.3 43.8 7.4 7.4 72 72 A E T 3 S+ 0 0 54 1,-0.3 -28,-0.3 176,-0.1 177,-0.2 0.882 116.7 46.5 -46.2 -46.5 46.6 5.0 6.4 73 73 A G T 3 S+ 0 0 41 175,-2.3 -1,-0.3 -30,-0.1 2,-0.2 0.747 84.6 112.4 -72.6 -24.9 49.1 7.7 7.6 74 74 A Y < + 0 0 99 -3,-0.9 -30,-0.3 174,-0.3 -32,-0.2 -0.303 32.9 169.4 -56.5 119.3 47.3 8.4 10.9 75 75 A R + 0 0 100 -2,-0.2 -1,-0.1 -34,-0.1 3,-0.1 0.269 43.8 98.3-115.2 9.3 49.5 7.3 13.8 76 76 A G S S- 0 0 25 1,-0.2 -34,-0.6 -35,-0.1 2,-0.3 -0.023 85.2 -68.8 -83.7-168.1 47.6 8.9 16.7 77 77 A E E -C 41 0A 79 -36,-0.1 2,-0.4 1,-0.1 -36,-0.2 -0.627 51.9-113.5 -84.5 144.1 45.0 7.4 19.1 78 78 A I E - 0 0 0 -38,-2.6 -40,-1.4 -2,-0.3 -39,-0.5 -0.620 36.9-178.4 -83.3 130.5 41.6 6.4 17.7 79 79 A G E -C 37 0A 23 -2,-0.4 2,-0.5 -42,-0.2 -44,-0.0 -0.932 20.4-137.8-126.9 151.6 38.7 8.4 19.0 80 80 A V E -C 36 0A 2 -44,-2.7 -44,-3.7 -2,-0.3 2,-0.4 -0.945 17.0-141.9-113.9 123.6 35.0 8.1 18.2 81 81 A I E +C 35 0A 17 -2,-0.5 -15,-1.6 -15,-0.3 2,-0.3 -0.676 28.8 166.1 -86.1 133.8 33.0 11.3 17.7 82 82 A M E -CD 34 65A 0 -48,-2.6 -48,-3.2 -2,-0.4 2,-0.4 -0.987 25.0-148.2-147.6 156.2 29.4 11.5 19.1 83 83 A I E -CD 33 64A 6 -19,-1.6 -19,-1.7 -2,-0.3 2,-0.9 -0.984 22.0-127.0-126.9 133.9 26.6 14.0 19.8 84 84 A N E + D 0 63A 1 -52,-3.9 -53,-1.5 -2,-0.4 -21,-0.2 -0.688 28.8 176.5 -82.3 108.0 24.0 13.8 22.6 85 85 A V + 0 0 58 -23,-2.6 2,-0.2 -2,-0.9 -1,-0.1 0.213 50.8 80.9 -97.1 15.4 20.7 14.1 20.8 86 86 A S S S- 0 0 29 -24,-0.4 -55,-0.1 2,-0.3 4,-0.1 -0.469 85.4-108.7-111.4-174.6 18.4 13.6 23.9 87 87 A R S S+ 0 0 218 -2,-0.2 2,-0.3 -57,-0.1 -25,-0.0 0.376 94.7 54.5 -96.2 0.4 17.1 15.8 26.8 88 88 A K S S- 0 0 135 -59,-0.1 -2,-0.3 -26,-0.0 -57,-0.2 -0.914 91.1 -94.0-132.5 159.2 19.2 14.2 29.6 89 89 A S - 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