==== 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 1F7O . 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) . 15239.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 64.6 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 . 118 34.0 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 . 46 13.3 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 3 2 2 3 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 4 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 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 14 0, 0.0 228,-2.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 154.9 48.6 -5.6 12.0 2 2 A I E +a 229 0A 46 41,-0.4 41,-0.9 226,-0.2 2,-0.3 -0.578 360.0 176.5 -80.3 129.7 50.4 -3.9 14.8 3 3 A I E -aB 230 42A 10 226,-2.6 228,-2.3 -2,-0.3 2,-0.4 -0.883 22.3-152.8-130.0 160.1 48.3 -2.2 17.5 4 4 A E E + B 0 41A 34 37,-1.8 37,-2.3 -2,-0.3 2,-0.2 -0.999 60.6 35.6-132.3 125.3 48.9 -0.3 20.7 5 5 A G S S- 0 0 18 -2,-0.4 35,-0.2 35,-0.2 3,-0.1 -0.591 73.1-104.4 124.7 175.1 46.2 -0.3 23.4 6 6 A D S S+ 0 0 113 33,-0.5 34,-0.1 32,-0.2 -1,-0.1 0.513 88.5 93.7-116.7 -11.9 43.5 -2.5 24.9 7 7 A G S S+ 0 0 6 32,-0.4 14,-2.4 31,-0.4 2,-0.3 0.174 74.7 69.1 -72.9 18.0 40.4 -0.9 23.3 8 8 A I B -C 20 0B 13 12,-0.2 2,-0.4 -3,-0.1 12,-0.2 -0.995 65.2-147.7-137.9 144.4 40.1 -3.3 20.3 9 9 A L - 0 0 60 10,-1.5 10,-0.4 -2,-0.3 -2,-0.0 -0.886 22.8-109.7-115.9 142.4 39.2 -7.0 20.1 10 10 A D - 0 0 101 -2,-0.4 2,-0.3 8,-0.1 9,-0.2 -0.191 40.2-145.4 -57.2 157.5 40.3 -9.7 17.7 11 11 A K - 0 0 18 215,-0.3 7,-0.1 7,-0.1 217,-0.1 -0.874 13.0-106.5-128.1 161.6 37.5 -10.8 15.3 12 12 A R > - 0 0 169 -2,-0.3 3,-1.0 5,-0.2 -1,-0.0 -0.387 37.1-112.3 -76.5 165.1 36.3 -14.0 13.7 13 13 A S T 3 S+ 0 0 80 1,-0.2 176,-0.1 -2,-0.1 -1,-0.1 0.684 120.2 58.0 -72.9 -17.5 37.1 -14.4 10.0 14 14 A E T 3 S+ 0 0 81 175,-0.1 176,-1.3 176,-0.1 2,-0.4 0.565 88.9 91.1 -86.3 -11.2 33.3 -14.2 9.4 15 15 A D < - 0 0 44 -3,-1.0 -4,-0.1 173,-0.2 3,-0.0 -0.741 68.3-150.7 -87.5 130.3 33.2 -10.8 11.2 16 16 A A S S+ 0 0 2 -2,-0.4 87,-0.5 1,-0.1 208,-0.3 0.856 73.7 9.7 -68.1 -33.9 33.6 -7.8 8.8 17 17 A G E S- D 0 102B 1 85,-0.2 2,-0.3 206,-0.1 85,-0.2 -0.908 72.9 -99.1-146.8 173.3 35.2 -5.7 11.6 18 18 A Y E - D 0 101B 0 83,-2.0 83,-2.3 -2,-0.3 2,-0.2 -0.699 38.4-115.9 -94.0 140.4 36.7 -5.3 15.0 19 19 A D E - D 0 100B 25 -10,-0.4 -10,-1.5 -2,-0.3 2,-0.4 -0.510 25.0-149.1 -74.6 139.2 34.8 -4.0 18.0 20 20 A L E -CD 8 99B 0 79,-3.1 78,-2.0 -2,-0.2 79,-1.1 -0.885 10.7-149.9-108.0 142.6 36.1 -0.7 19.5 21 21 A L E - D 0 97B 7 -14,-2.4 2,-0.3 -2,-0.4 76,-0.2 -0.871 22.9-106.7-116.3 146.4 35.7 -0.0 23.2 22 22 A A - 0 0 1 74,-3.1 73,-3.3 -2,-0.3 16,-0.2 -0.549 25.7-147.1 -68.6 127.4 35.3 3.3 25.1 23 23 A A S S- 0 0 36 14,-3.8 2,-0.3 -2,-0.3 15,-0.2 0.653 71.9 -5.4 -71.4 -17.5 38.6 3.9 26.9 24 24 A K S S- 0 0 117 13,-0.4 2,-0.6 69,-0.2 72,-0.1 -0.967 90.3 -65.4-163.1 176.9 37.0 5.6 29.8 25 25 A E - 0 0 106 -2,-0.3 2,-0.4 68,-0.1 68,-0.2 -0.652 51.6-168.2 -77.9 116.9 33.8 6.8 31.4 26 26 A I E -G 92 0C 11 66,-2.0 66,-3.3 -2,-0.6 2,-0.5 -0.910 11.1-154.9-112.4 135.7 32.4 9.7 29.3 27 27 A H E -G 91 0C 94 -2,-0.4 2,-0.5 64,-0.2 64,-0.2 -0.922 8.7-168.5-108.3 125.8 29.7 12.1 30.4 28 28 A L E -G 90 0C 0 62,-2.5 62,-2.3 -2,-0.5 3,-0.1 -0.963 10.4-148.7-115.6 120.0 27.7 13.8 27.6 29 29 A L > - 0 0 89 -2,-0.5 3,-2.3 60,-0.2 55,-0.3 -0.431 47.4 -69.3 -79.4 161.8 25.4 16.7 28.5 30 30 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 55,-0.1 -0.312 122.4 5.5 -53.9 120.1 22.3 17.2 26.4 31 31 A G T 3 S+ 0 0 46 53,-1.5 2,-0.2 55,-0.3 54,-0.1 0.428 96.0 140.9 85.6 -0.3 23.2 18.5 23.0 32 32 A E < - 0 0 64 -3,-2.3 52,-2.5 51,-0.1 2,-0.5 -0.500 43.2-145.9 -80.2 143.3 27.0 18.1 23.6 33 33 A V E +H 83 0D 41 50,-0.2 2,-0.3 -2,-0.2 50,-0.2 -0.929 28.7 173.3-106.6 130.4 29.3 16.8 20.8 34 34 A K E -H 82 0D 72 48,-3.2 48,-3.0 -2,-0.5 2,-0.7 -0.989 35.5-127.8-143.5 152.7 32.2 14.7 22.1 35 35 A V E -H 81 0D 90 -2,-0.3 46,-0.3 46,-0.2 -2,-0.0 -0.861 26.0-148.8 -97.5 114.5 35.2 12.6 21.0 36 36 A I E -H 80 0D 0 44,-4.3 44,-2.9 -2,-0.7 2,-0.2 -0.752 15.8-136.4 -86.3 122.7 35.1 9.2 22.8 37 37 A P E -H 79 0D 26 0, 0.0 -14,-3.8 0, 0.0 -13,-0.4 -0.542 23.0-177.9 -80.8 142.4 38.6 7.9 23.3 38 38 A T - 0 0 2 40,-1.8 -31,-0.4 -16,-0.2 -32,-0.2 0.594 34.0-134.2-109.9 -20.8 39.4 4.2 22.5 39 39 A G + 0 0 30 39,-0.6 -33,-0.5 1,-0.2 -32,-0.4 0.849 61.7 125.0 69.4 34.9 43.0 4.3 23.5 40 40 A V - 0 0 0 38,-0.4 38,-3.0 -35,-0.2 2,-0.4 -0.973 41.9-165.4-129.7 143.2 44.2 2.4 20.5 41 41 A K E -B 4 0A 77 -37,-2.3 -37,-1.8 -2,-0.4 2,-0.3 -0.950 14.4-160.5-121.8 144.2 46.7 3.2 17.8 42 42 A L E -B 3 0A 4 34,-0.5 2,-0.4 -2,-0.4 -39,-0.2 -0.865 22.6-153.4-125.0 160.0 46.9 1.3 14.5 43 43 A M - 0 0 59 -41,-0.9 -41,-0.4 -2,-0.3 3,-0.1 -0.809 31.3-154.0-130.2 82.7 49.4 0.6 11.8 44 44 A L - 0 0 11 -2,-0.4 3,-0.1 30,-0.3 4,-0.0 -0.257 24.1-100.5 -58.1 142.3 47.0 -0.0 8.9 45 45 A P > - 0 0 26 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.336 52.8 -80.7 -66.4 151.6 48.4 -2.2 6.1 46 46 A K T 3 S+ 0 0 187 1,-0.2 3,-0.1 -3,-0.1 202,-0.0 -0.207 115.7 18.8 -51.3 135.6 49.6 -0.4 3.0 47 47 A G T 3 S+ 0 0 32 1,-0.2 59,-2.5 -3,-0.1 2,-0.3 0.548 106.7 97.1 80.3 8.3 46.8 0.6 0.7 48 48 A Y E < -E 105 0B 68 -3,-1.6 2,-0.2 57,-0.3 -1,-0.2 -0.937 48.7-166.2-130.8 153.8 44.0 0.3 3.2 49 49 A W E -E 104 0B 1 55,-2.7 55,-2.2 -2,-0.3 2,-0.5 -0.744 25.2-108.8-126.6 175.1 42.0 2.6 5.5 50 50 A G E -EF 103 70B 0 20,-2.9 20,-3.1 -2,-0.2 2,-0.5 -0.936 19.1-158.0-118.1 128.0 39.7 2.1 8.4 51 51 A L E -EF 102 69B 8 51,-3.4 51,-3.1 -2,-0.5 2,-0.5 -0.869 9.1-154.2-102.4 127.0 36.0 2.7 8.4 52 52 A I E -EF 101 68B 5 16,-2.4 16,-1.3 -2,-0.5 2,-0.5 -0.896 13.0-178.8-104.8 124.6 34.3 3.3 11.8 53 53 A I E -E 100 0B 24 47,-1.9 47,-2.3 -2,-0.5 13,-0.1 -0.990 27.0-121.1-124.9 125.4 30.6 2.4 12.2 54 54 A G E -E 99 0B 15 -2,-0.5 130,-0.4 11,-0.3 2,-0.3 -0.193 31.0-102.4 -62.6 152.9 28.8 3.0 15.4 55 55 A K >> - 0 0 47 43,-2.3 4,-1.5 1,-0.1 3,-0.9 -0.634 24.9-133.4 -77.1 132.7 27.2 0.2 17.2 56 56 A S H 3> S+ 0 0 48 -2,-0.3 4,-1.7 1,-0.2 5,-0.2 0.882 100.9 64.8 -52.4 -44.4 23.4 0.2 16.7 57 57 A S H 34 S+ 0 0 52 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.856 105.8 42.7 -50.4 -40.9 22.7 -0.3 20.4 58 58 A I H X4>S+ 0 0 4 -3,-0.9 5,-1.2 2,-0.2 3,-0.6 0.839 108.4 57.4 -78.2 -30.6 24.2 3.1 21.3 59 59 A G H ><5S+ 0 0 8 -4,-1.5 3,-0.6 1,-0.3 -1,-0.2 0.807 106.5 52.0 -67.7 -24.8 22.5 4.9 18.4 60 60 A S T 3<5S+ 0 0 58 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.695 99.4 67.7 -80.7 -20.0 19.3 3.7 19.8 61 61 A K T < 5S- 0 0 131 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.1 0.033 126.5 -82.4 -93.8 28.7 20.2 5.1 23.2 62 62 A G T < 5S+ 0 0 20 -3,-0.6 23,-1.8 1,-0.2 24,-0.5 0.565 95.2 112.1 89.0 9.0 20.1 8.8 22.4 63 63 A L E < -I 84 0D 3 -5,-1.2 2,-0.8 21,-0.2 -1,-0.2 -0.956 55.0-147.1-121.0 134.4 23.6 9.2 20.8 64 64 A D E -I 83 0D 18 19,-3.1 19,-2.0 -2,-0.4 2,-0.7 -0.873 15.9-157.3 -99.4 112.4 24.4 10.0 17.2 65 65 A V E -I 82 0D 23 -2,-0.8 -11,-0.3 17,-0.2 17,-0.2 -0.809 12.1-139.1 -93.6 114.2 27.7 8.3 16.3 66 66 A L - 0 0 13 15,-2.3 15,-0.4 -2,-0.7 2,-0.1 -0.473 20.6-112.8 -74.8 136.0 29.4 10.0 13.4 67 67 A G - 0 0 37 232,-0.3 2,-0.3 -2,-0.2 -14,-0.2 -0.428 41.6-161.2 -63.9 139.5 31.0 7.8 10.7 68 68 A G E -F 52 0B 23 -16,-1.3 -16,-2.4 -2,-0.1 2,-0.4 -0.884 14.9-142.9-127.6 161.9 34.7 8.2 10.8 69 69 A V E -F 51 0B 25 -2,-0.3 2,-0.7 -18,-0.2 -18,-0.2 -0.980 3.7-160.1-125.4 124.2 37.7 7.6 8.6 70 70 A I E -F 50 0B 14 -20,-3.1 -20,-2.9 -2,-0.4 2,-0.1 -0.919 22.9-141.1-104.9 114.2 41.1 6.4 9.7 71 71 A D > - 0 0 37 -2,-0.7 3,-2.5 -22,-0.2 -27,-0.2 -0.441 18.8-116.6 -75.3 148.3 43.7 7.2 7.1 72 72 A E T 3 S+ 0 0 58 1,-0.3 -28,-0.3 176,-0.2 177,-0.2 0.866 118.2 46.6 -47.0 -44.9 46.5 4.8 6.2 73 73 A G T 3 S+ 0 0 43 175,-1.8 2,-0.4 -30,-0.1 -1,-0.3 0.458 85.2 113.8 -82.6 -0.4 49.0 7.4 7.4 74 74 A Y < + 0 0 88 -3,-2.5 -30,-0.3 174,-0.3 -32,-0.2 -0.605 30.6 165.7 -76.3 124.6 47.1 8.2 10.6 75 75 A R + 0 0 96 -2,-0.4 -1,-0.1 -34,-0.1 3,-0.1 0.332 40.2 104.5-119.7 2.6 49.1 7.1 13.6 76 76 A G S S- 0 0 28 1,-0.1 -34,-0.5 -35,-0.1 2,-0.4 0.010 83.9 -71.5 -74.9-174.1 47.3 8.9 16.4 77 77 A E - 0 0 85 -36,-0.1 -36,-0.2 1,-0.1 2,-0.2 -0.668 54.6-111.5 -82.6 132.9 44.9 7.5 19.0 78 78 A I - 0 0 0 -38,-3.0 -40,-1.8 -2,-0.4 -39,-0.6 -0.432 39.3-178.1 -68.5 130.7 41.5 6.4 17.6 79 79 A G E -H 37 0D 30 -2,-0.2 2,-0.5 -42,-0.2 -44,-0.0 -0.958 17.7-145.6-129.7 148.1 38.6 8.5 18.7 80 80 A V E -H 36 0D 3 -44,-2.9 -44,-4.3 -2,-0.3 2,-0.5 -0.954 15.3-140.0-115.2 128.8 34.9 8.3 17.9 81 81 A I E +H 35 0D 24 -2,-0.5 -15,-2.3 -15,-0.4 2,-0.3 -0.763 26.8 172.2 -92.2 132.3 32.8 11.4 17.6 82 82 A M E -HI 34 65D 0 -48,-3.0 -48,-3.2 -2,-0.5 2,-0.4 -0.956 21.5-150.9-136.1 155.0 29.3 11.4 19.1 83 83 A I E -HI 33 64D 5 -19,-2.0 -19,-3.1 -2,-0.3 2,-1.0 -0.994 20.4-130.7-127.6 128.0 26.5 13.9 19.7 84 84 A N E + I 0 63D 1 -52,-2.5 -53,-1.5 -2,-0.4 -21,-0.2 -0.680 27.1 177.6 -79.2 105.7 23.9 13.6 22.5 85 85 A V + 0 0 54 -23,-1.8 2,-0.2 -2,-1.0 -22,-0.2 0.174 49.9 90.3 -96.1 19.2 20.6 14.1 20.7 86 86 A S S S- 0 0 26 -24,-0.5 -55,-0.3 2,-0.3 4,-0.1 -0.585 83.0-117.7-109.1 173.2 18.5 13.6 23.8 87 87 A R S S+ 0 0 212 -2,-0.2 2,-0.3 -57,-0.1 -1,-0.0 0.279 93.0 62.2 -92.5 9.5 17.2 15.9 26.5 88 88 A K S S- 0 0 142 -59,-0.1 -2,-0.3 -26,-0.1 -57,-0.2 -0.916 91.3 -93.0-134.4 160.2 19.1 14.2 29.3 89 89 A S - 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