==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 27-JUN-11 3SM2 . COMPND 2 MOLECULE: GAG-PRO-POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DG-75 MURINE LEUKEMIA VIRUS; . AUTHOR M.LI,A.GUSTCHINA,A.WLODAWER . 228 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11260.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 61.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 32.9 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 3.1 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 . 29 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 3.5 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 0 0 1 1 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 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 0 0 PARALLEL BRIDGES PER LADDER . 5 3 2 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 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 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 11 A E 0 0 213 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -60.9 -19.8 -2.3 5.8 2 12 A P - 0 0 97 0, 0.0 17,-0.1 0, 0.0 78,-0.0 -0.388 360.0-113.7 -75.5 143.2 -17.2 -5.0 4.7 3 13 A P - 0 0 4 0, 0.0 4,-0.1 0, 0.0 16,-0.0 -0.268 30.2-108.4 -69.7 157.5 -13.4 -4.1 4.5 4 14 A P - 0 0 40 0, 0.0 97,-0.1 0, 0.0 0, 0.0 -0.281 59.9 -47.2 -73.7 168.7 -11.5 -4.0 1.2 5 15 A E S S+ 0 0 74 1,-0.1 98,-0.1 15,-0.1 2,-0.1 -0.512 112.5 62.6 -70.8 150.1 -8.9 -6.7 0.3 6 16 A P S S+ 0 0 0 0, 0.0 15,-2.8 0, 0.0 2,-0.3 0.430 83.2 145.6 -74.1 128.5 -6.7 -8.0 1.9 7 17 A R E -A 20 0A 90 95,-0.4 2,-0.3 13,-0.2 97,-0.3 -0.928 25.7-174.9-130.3 157.2 -9.4 -9.2 4.2 8 18 A I E -A 19 0A 11 11,-1.8 11,-2.8 -2,-0.3 2,-0.5 -0.985 18.7-136.5-151.2 141.4 -9.8 -12.4 6.3 9 19 A T E +A 18 0A 78 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.877 26.6 178.6-101.6 131.7 -12.6 -13.8 8.5 10 20 A L E -A 17 0A 12 7,-2.4 7,-2.1 -2,-0.5 2,-0.6 -0.982 34.7-116.0-130.0 146.9 -11.7 -15.3 11.8 11 21 A K E -A 16 0A 110 51,-0.4 51,-2.6 -2,-0.4 2,-0.5 -0.719 37.2-176.4 -78.4 120.0 -13.7 -16.8 14.6 12 22 A V E > S-AB 15 61A 8 3,-3.4 3,-0.6 -2,-0.6 49,-0.2 -0.963 70.0 -20.1-126.3 110.5 -13.1 -14.5 17.6 13 23 A G T 3 S- 0 0 45 47,-3.0 -1,-0.1 -2,-0.5 48,-0.1 0.908 129.2 -50.2 55.1 45.9 -14.8 -15.6 20.8 14 24 A G T 3 S+ 0 0 45 46,-0.4 -1,-0.2 1,-0.2 -3,-0.1 0.712 122.3 96.3 67.8 22.1 -17.2 -17.8 18.9 15 25 A Q E < S-A 12 0A 127 -3,-0.6 -3,-3.4 -5,-0.1 2,-0.2 -0.997 76.5-113.9-136.2 142.0 -18.3 -15.1 16.4 16 26 A P E -A 11 0A 94 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.543 31.5-174.4 -71.3 138.0 -17.1 -14.4 12.9 17 27 A V E -A 10 0A 29 -7,-2.1 -7,-2.4 -2,-0.2 2,-0.7 -0.996 15.9-147.9-133.2 126.0 -15.2 -11.1 12.4 18 28 A T E -A 9 0A 53 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.876 25.2-166.6 -98.3 115.4 -14.1 -9.9 9.0 19 29 A F E -A 8 0A 0 -11,-2.8 -11,-1.8 -2,-0.7 2,-0.6 -0.765 27.1-124.8-101.8 145.4 -10.9 -7.9 9.4 20 30 A L E -Ac 7 82A 2 61,-2.8 63,-3.0 -2,-0.3 2,-0.6 -0.782 37.1-124.4 -74.7 123.2 -9.0 -5.6 7.1 21 31 A V E - c 0 83A 1 -15,-2.8 2,-0.6 -2,-0.6 63,-0.2 -0.667 37.2-171.6 -73.2 116.7 -5.5 -7.2 7.1 22 32 A D > + 0 0 13 61,-3.1 3,-1.7 -2,-0.6 63,-0.3 -0.825 26.5 177.0-128.0 91.6 -3.5 -4.2 8.3 23 33 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 113,-0.1 0.676 85.8 60.0 -68.2 -16.1 0.3 -4.3 8.2 24 34 A G T 3 S+ 0 0 21 111,-0.1 2,-0.6 60,-0.1 -1,-0.3 0.441 86.8 90.4 -89.4 -0.9 0.4 -0.7 9.4 25 35 A A < - 0 0 11 -3,-1.7 60,-3.0 58,-0.2 61,-0.3 -0.863 59.1-162.8-100.7 120.3 -1.5 -1.5 12.6 26 36 A Q S S+ 0 0 152 -2,-0.6 60,-0.8 58,-0.2 2,-0.3 0.874 79.6 27.7 -67.3 -39.5 0.6 -2.4 15.6 27 37 A H S S- 0 0 46 58,-0.1 2,-0.2 59,-0.1 58,-0.1 -0.914 88.5-106.2-124.5 158.2 -2.3 -3.9 17.4 28 38 A S - 0 0 0 -2,-0.3 45,-2.3 43,-0.3 2,-0.4 -0.493 35.3-150.1 -85.2 152.7 -5.6 -5.5 16.3 29 39 A V E -dE 73 82A 8 53,-2.1 53,-1.4 43,-0.2 2,-0.3 -0.957 15.5-162.9-132.3 134.3 -8.9 -3.7 16.6 30 40 A L E -d 74 0A 11 43,-3.0 45,-2.4 -2,-0.4 48,-0.1 -0.904 9.8-176.5-109.3 148.7 -12.6 -4.5 17.1 31 41 A T + 0 0 22 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.819 59.6 20.6-114.3 -44.6 -15.1 -1.8 16.2 32 42 A Q S S+ 0 0 157 1,-0.2 -1,-0.4 2,-0.0 43,-0.0 -0.920 123.0 11.1-131.3 153.1 -18.7 -2.8 17.0 33 43 A N + 0 0 152 -2,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.920 69.9 168.6 43.1 57.2 -20.0 -5.4 19.3 34 44 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 38,-0.1 0.501 37.1-133.1 -74.7 -3.7 -16.5 -6.0 20.9 35 45 A G - 0 0 35 21,-0.1 -22,-0.0 2,-0.0 -2,-0.0 -0.260 61.3 -2.1 72.2-171.6 -17.9 -8.1 23.8 36 46 A P S S- 0 0 89 0, 0.0 21,-2.3 0, 0.0 2,-0.3 -0.165 73.8-141.5 -52.4 139.0 -16.9 -7.5 27.4 37 47 A L E -F 56 0A 56 19,-0.3 19,-0.3 1,-0.1 2,-0.1 -0.731 5.8-130.7-108.3 150.1 -14.3 -4.7 28.0 38 48 A S E - 0 0 21 17,-2.7 19,-0.1 -2,-0.3 -1,-0.1 -0.351 23.5-114.6 -86.6 177.2 -11.4 -4.6 30.4 39 49 A D E S+ 0 0 125 -2,-0.1 2,-0.2 15,-0.1 -1,-0.1 0.490 88.0 91.8 -87.6 -7.3 -10.6 -1.8 32.8 40 50 A K E - 0 0 130 15,-0.2 15,-2.4 16,-0.1 2,-0.3 -0.578 54.2-172.2-100.3 154.1 -7.3 -1.0 31.0 41 51 A S E -F 54 0A 58 13,-0.3 2,-0.3 -2,-0.2 13,-0.2 -0.850 9.7-153.3-139.8 169.4 -6.6 1.3 28.1 42 52 A A E -F 53 0A 25 11,-2.5 11,-2.8 -2,-0.3 2,-0.4 -0.993 25.9-112.8-146.9 149.5 -4.0 2.4 25.7 43 53 A W E -F 52 0A 177 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.714 33.4-157.6 -80.3 127.6 -3.1 5.5 23.7 44 54 A V E -F 51 0A 21 7,-2.8 7,-1.8 -2,-0.4 2,-0.7 -0.948 4.8-153.7-111.8 121.2 -3.6 4.9 20.0 45 55 A Q E -F 50 0A 119 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.843 20.6-178.5 -91.0 118.9 -1.8 7.0 17.4 46 56 A G - 0 0 8 3,-3.1 3,-0.4 -2,-0.7 115,-0.1 -0.503 43.6 -94.6-104.2 179.5 -3.7 7.2 14.2 47 57 A A S S+ 0 0 26 1,-0.2 145,-0.2 -2,-0.2 3,-0.1 0.746 123.6 33.5 -63.7 -26.5 -2.9 8.9 10.9 48 58 A T S S- 0 0 19 1,-0.3 2,-0.3 116,-0.2 -1,-0.2 0.400 131.2 -44.1-115.0 -1.6 -4.9 12.0 11.8 49 59 A G - 0 0 30 -3,-0.4 -3,-3.1 143,-0.1 2,-0.3 -0.970 61.1 -89.5 160.2-168.5 -4.4 12.2 15.6 50 60 A G E +F 45 0A 33 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.957 31.3 173.3-139.1 152.9 -4.4 10.1 18.8 51 61 A K E -F 44 0A 96 -7,-1.8 -7,-2.8 -2,-0.3 2,-0.4 -0.984 34.6-104.7-156.5 155.4 -7.0 9.0 21.3 52 62 A R E -F 43 0A 124 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.705 40.7-178.8 -86.7 135.0 -7.3 6.7 24.4 53 63 A Y E -F 42 0A 7 -11,-2.8 -11,-2.5 -2,-0.4 2,-0.2 -0.955 23.7-112.9-133.3 155.9 -9.1 3.4 23.9 54 64 A R E -FG 41 74A 94 20,-0.6 20,-3.0 -2,-0.3 2,-0.3 -0.579 22.5-127.8 -87.2 145.6 -10.1 0.4 26.0 55 65 A W E - G 0 73A 57 -15,-2.4 -17,-2.7 18,-0.2 18,-0.2 -0.680 24.7-126.5 -79.2 144.0 -8.7 -3.1 25.6 56 66 A T E -F 37 0A 2 16,-3.2 -19,-0.3 -2,-0.3 3,-0.1 -0.350 32.6 -96.6 -74.2 166.5 -11.3 -6.0 25.4 57 67 A T - 0 0 52 -21,-2.3 15,-0.4 1,-0.2 -1,-0.2 -0.308 66.2 -62.8 -70.3 175.8 -11.1 -8.9 27.8 58 68 A D - 0 0 113 13,-0.1 2,-0.4 -2,-0.1 13,-0.2 -0.332 56.3-165.5 -69.2 138.8 -9.3 -12.0 26.4 59 69 A R E - H 0 70A 29 11,-2.4 11,-2.7 -3,-0.1 2,-0.5 -0.956 23.5-121.8-122.3 144.2 -10.8 -13.7 23.3 60 70 A K E - H 0 69A 91 -2,-0.4 -47,-3.0 9,-0.2 2,-0.5 -0.745 31.1-161.2 -78.8 128.3 -10.0 -17.1 21.8 61 71 A V E -BH 12 68A 0 7,-3.4 7,-1.9 -2,-0.5 2,-1.7 -0.952 12.0-142.9-118.8 119.0 -8.9 -16.4 18.2 62 72 A H E + H 0 67A 81 -51,-2.6 -51,-0.4 -2,-0.5 5,-0.2 -0.532 28.3 178.0 -88.1 77.6 -9.1 -19.3 15.7 63 73 A L E > - H 0 66A 9 -2,-1.7 3,-2.3 3,-0.5 -53,-0.0 -0.446 41.0-120.2 -74.3 148.0 -6.0 -18.8 13.5 64 74 A A T 3 S+ 0 0 64 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 0.826 117.0 57.8 -56.1 -28.7 -5.2 -21.3 10.8 65 75 A T T 3 S- 0 0 67 1,-0.3 -1,-0.3 42,-0.0 2,-0.1 0.525 131.8 -67.8 -79.9 -5.6 -1.9 -21.9 12.6 66 76 A G E < -H 63 0A 35 -3,-2.3 -3,-0.5 2,-0.0 -1,-0.3 -0.277 63.2 -66.2 126.5 149.3 -3.8 -22.9 15.8 67 77 A K E +H 62 0A 128 -5,-0.2 2,-0.3 -2,-0.1 -5,-0.2 -0.295 53.5 174.3 -64.3 139.9 -6.1 -21.2 18.3 68 78 A V E -H 61 0A 42 -7,-1.9 -7,-3.4 -9,-0.0 2,-0.4 -0.904 32.3-108.8-137.8 167.9 -4.6 -18.5 20.6 69 79 A T E +H 60 0A 62 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.860 41.8 170.1 -98.3 137.8 -5.8 -16.0 23.2 70 80 A H E -H 59 0A 12 -11,-2.7 -11,-2.4 -2,-0.4 2,-0.4 -0.995 27.2-145.8-148.7 143.1 -5.8 -12.3 22.2 71 81 A S - 0 0 33 -2,-0.3 2,-0.3 -13,-0.2 -43,-0.3 -0.878 23.1-155.4-104.9 140.7 -7.1 -9.0 23.6 72 82 A F - 0 0 0 -15,-0.4 -16,-3.2 -2,-0.4 2,-0.4 -0.763 18.6-113.4-111.6 156.3 -8.2 -6.3 21.1 73 83 A L E -dG 29 55A 12 -45,-2.3 -43,-3.0 -2,-0.3 2,-0.9 -0.761 26.5-135.7 -82.3 135.0 -8.4 -2.6 21.2 74 84 A H E +dG 30 54A 36 -20,-3.0 -20,-0.6 -2,-0.4 -43,-0.2 -0.855 32.3 170.4 -92.2 107.8 -12.0 -1.4 21.0 75 85 A V > + 0 0 1 -45,-2.4 3,-1.6 -2,-0.9 -22,-0.1 -0.823 13.0 175.3-123.7 83.3 -11.9 1.5 18.5 76 86 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -45,-0.1 0.748 80.0 63.5 -64.3 -18.7 -15.4 2.6 17.7 77 87 A D T 3 S+ 0 0 66 85,-0.1 87,-0.1 -3,-0.1 -46,-0.1 0.617 83.6 99.8 -73.9 -14.8 -14.0 5.5 15.6 78 88 A C S < S- 0 0 10 -3,-1.6 84,-0.1 -48,-0.1 -3,-0.1 -0.597 77.9-131.0 -86.0 134.4 -12.3 3.0 13.2 79 89 A P S S- 0 0 62 0, 0.0 -1,-0.1 0, 0.0 83,-0.1 0.776 82.3 -16.2 -51.9 -38.0 -14.0 2.2 9.9 80 90 A Y S S- 0 0 52 -5,-0.1 -61,-0.1 -60,-0.0 -51,-0.0 -0.963 89.0 -66.0-159.1 170.8 -13.7 -1.6 10.3 81 91 A P - 0 0 20 0, 0.0 -61,-2.8 0, 0.0 2,-0.5 -0.329 49.8-144.0 -65.4 147.4 -11.9 -4.3 12.4 82 92 A L E -cE 20 29A 15 -53,-1.4 -53,-2.1 -63,-0.2 2,-0.8 -0.944 11.9-154.6-119.7 128.4 -8.2 -4.4 11.9 83 93 A L E -c 21 0A 1 -63,-3.0 -61,-3.1 -2,-0.5 -58,-0.2 -0.881 35.4-175.5 -96.4 103.9 -5.9 -7.5 11.9 84 94 A G >> - 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