==== 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 3SLZ . 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) . 11318.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 59.6 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 . 70 30.7 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 . 30 13.2 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 . 10 4.4 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 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 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 . 6 1 2 1 2 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 . 1 0 0 1 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 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 0 186 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -58.3 -18.7 -1.8 6.8 2 12 A P - 0 0 110 0, 0.0 17,-0.1 0, 0.0 78,-0.1 -0.578 360.0-118.5 -72.3 134.5 -17.2 -4.9 5.1 3 13 A P - 0 0 7 0, 0.0 4,-0.1 0, 0.0 16,-0.0 -0.331 21.3-114.5 -74.5 155.3 -13.5 -4.4 4.8 4 14 A P - 0 0 40 0, 0.0 17,-0.3 0, 0.0 97,-0.0 -0.314 56.1 -47.0 -68.7 166.8 -11.5 -4.4 1.5 5 15 A E S S+ 0 0 74 1,-0.1 98,-0.1 15,-0.1 2,-0.1 -0.510 112.2 61.5 -67.4 148.9 -9.0 -7.0 0.6 6 16 A P S S+ 0 0 0 0, 0.0 15,-2.8 0, 0.0 2,-0.3 0.419 83.0 142.1 -76.3 135.0 -6.8 -8.2 2.1 7 17 A R E -A 20 0A 96 95,-0.3 2,-0.3 13,-0.3 97,-0.3 -0.924 27.6-171.4-137.2 159.0 -9.3 -9.5 4.6 8 18 A I E -A 19 0A 11 11,-1.9 11,-3.0 -2,-0.3 2,-0.5 -0.988 18.2-136.2-151.3 144.1 -9.8 -12.7 6.6 9 19 A T E +A 18 0A 78 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.915 28.5 176.9-103.0 127.0 -12.5 -14.1 8.8 10 20 A L E -A 17 0A 13 7,-2.5 7,-2.2 -2,-0.5 2,-0.6 -0.974 35.3-114.1-125.0 147.3 -11.5 -15.6 12.1 11 21 A K E +A 16 0A 111 51,-0.4 51,-2.7 -2,-0.3 2,-0.4 -0.698 40.2 177.3 -77.8 122.2 -13.4 -17.1 15.0 12 22 A V E > -AB 15 61A 3 3,-2.9 3,-1.7 -2,-0.6 49,-0.2 -0.991 68.9 -12.3-130.0 117.2 -12.8 -14.8 18.0 13 23 A G T 3 S- 0 0 46 47,-2.5 -1,-0.1 -2,-0.4 48,-0.1 0.866 130.5 -54.5 57.6 34.4 -14.5 -15.5 21.3 14 24 A G T 3 S+ 0 0 60 46,-0.4 -1,-0.3 1,-0.2 -3,-0.1 0.423 121.7 94.9 83.1 0.2 -16.8 -18.0 19.5 15 25 A Q E < S-A 12 0A 84 -3,-1.7 -3,-2.9 -5,-0.1 2,-0.2 -0.923 78.6-107.8-123.7 148.6 -18.0 -15.6 16.8 16 26 A P E -A 11 0A 99 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.549 33.3-172.6 -75.5 134.8 -16.8 -14.9 13.2 17 27 A V E -A 10 0A 13 -7,-2.2 -7,-2.5 -2,-0.2 2,-0.7 -0.996 14.6-148.4-126.7 127.2 -15.0 -11.6 12.8 18 28 A T E -A 9 0A 54 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.3 -0.857 25.0-169.2 -99.8 113.4 -14.0 -10.3 9.4 19 29 A F E -A 8 0A 0 -11,-3.0 -11,-1.9 -2,-0.7 2,-0.5 -0.775 28.5-125.1-100.2 145.0 -10.8 -8.3 9.6 20 30 A L E -Ac 7 82A 2 61,-2.8 63,-3.0 -2,-0.3 2,-0.6 -0.786 37.5-124.0 -73.2 125.0 -9.0 -6.0 7.3 21 31 A V E - c 0 83A 0 -15,-2.8 2,-0.5 -2,-0.5 63,-0.2 -0.698 37.5-170.8 -75.8 118.5 -5.5 -7.5 7.3 22 32 A D > + 0 0 13 61,-3.0 3,-1.8 -2,-0.6 63,-0.4 -0.834 28.4 179.1-128.7 94.0 -3.5 -4.5 8.4 23 33 A T T 3 S+ 0 0 0 -2,-0.5 -1,-0.1 1,-0.3 113,-0.1 0.663 86.4 61.6 -72.4 -10.9 0.3 -4.5 8.3 24 34 A G T 3 S+ 0 0 24 111,-0.1 2,-0.6 60,-0.1 -1,-0.3 0.339 83.8 91.9 -92.0 5.3 0.2 -0.9 9.6 25 35 A A < - 0 0 11 -3,-1.8 60,-2.9 58,-0.2 61,-0.3 -0.890 58.2-163.0-102.8 118.6 -1.6 -1.8 12.8 26 36 A Q S S+ 0 0 157 -2,-0.6 60,-0.5 58,-0.2 2,-0.3 0.831 82.0 21.1 -65.1 -34.6 0.8 -2.5 15.7 27 37 A H S S- 0 0 45 58,-0.1 -1,-0.1 -3,-0.1 58,-0.1 -0.952 91.3-102.0-134.3 154.7 -2.1 -4.2 17.6 28 38 A S - 0 0 0 -2,-0.3 45,-2.7 43,-0.3 2,-0.4 -0.391 34.3-149.6 -84.0 154.9 -5.4 -5.7 16.5 29 39 A V E -dE 73 82A 10 53,-2.4 53,-1.8 43,-0.2 2,-0.3 -0.969 13.2-162.1-132.8 132.8 -8.7 -3.9 16.9 30 40 A L E -d 74 0A 11 43,-2.6 45,-2.3 -2,-0.4 48,-0.1 -0.897 8.8-175.6-106.3 149.2 -12.4 -4.9 17.4 31 41 A T + 0 0 17 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.712 60.5 25.5-118.1 -30.4 -15.0 -2.2 16.6 32 42 A Q S S+ 0 0 129 1,-0.1 -1,-0.3 2,-0.0 43,-0.0 -0.977 121.7 5.5-140.1 150.2 -18.5 -3.5 17.5 33 43 A N + 0 0 126 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 0.888 69.0 169.8 39.1 56.3 -19.7 -6.0 20.1 34 44 A P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 38,-0.1 0.483 37.9-128.8 -73.5 -3.9 -16.1 -6.5 21.5 35 45 A G - 0 0 39 21,-0.1 24,-0.0 2,-0.0 -2,-0.0 -0.303 63.3 -4.1 77.3-171.4 -17.4 -8.6 24.5 36 46 A P S S- 0 0 90 0, 0.0 21,-2.2 0, 0.0 2,-0.3 -0.192 73.6-142.3 -55.5 141.8 -16.4 -7.7 28.0 37 47 A L E -F 56 0A 56 19,-0.3 19,-0.3 1,-0.0 2,-0.1 -0.778 1.5-136.1-106.0 147.8 -13.9 -4.9 28.4 38 48 A S E - 0 0 21 17,-2.7 19,-0.1 -2,-0.3 17,-0.1 -0.431 21.5-124.3 -84.4 170.8 -11.0 -4.5 30.8 39 49 A D E S+ 0 0 138 -2,-0.1 2,-0.2 15,-0.1 -1,-0.1 0.416 83.0 105.6 -95.8 2.7 -10.4 -1.1 32.6 40 50 A K E - 0 0 159 15,-0.2 15,-2.5 16,-0.0 2,-0.3 -0.582 53.6-176.9 -76.3 143.6 -6.9 -1.1 31.1 41 51 A S E -F 54 0A 50 13,-0.3 2,-0.3 -2,-0.2 13,-0.2 -0.846 15.0-152.6-139.2 170.3 -6.5 1.3 28.3 42 52 A A E -F 53 0A 26 11,-2.5 11,-2.7 -2,-0.3 2,-0.5 -0.991 24.4-112.9-146.2 150.4 -3.9 2.5 25.8 43 53 A W E -F 52 0A 179 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.768 33.6-159.2 -81.4 122.3 -3.1 5.5 23.8 44 54 A V E -F 51 0A 22 7,-2.9 7,-1.9 -2,-0.5 2,-0.7 -0.932 5.5-154.7-105.9 123.6 -3.7 4.9 20.1 45 55 A Q E -F 50 0A 119 -2,-0.5 5,-0.3 5,-0.2 2,-0.1 -0.875 20.0-177.4 -92.2 116.7 -2.0 7.0 17.5 46 56 A G - 0 0 9 3,-2.6 3,-0.3 -2,-0.7 115,-0.1 -0.374 43.5 -93.6 -98.7-177.3 -3.9 7.0 14.2 47 57 A A S S+ 0 0 26 1,-0.2 145,-0.2 -2,-0.1 3,-0.1 0.731 123.8 33.1 -70.5 -22.2 -3.1 8.7 10.9 48 58 A T S S- 0 0 18 1,-0.2 2,-0.3 116,-0.2 -1,-0.2 0.352 131.0 -44.4-118.2 1.6 -5.1 11.8 11.8 49 59 A G - 0 0 30 -3,-0.3 -3,-2.6 143,-0.2 2,-0.3 -0.971 61.5 -92.5 161.4-159.1 -4.7 12.1 15.5 50 60 A G E +F 45 0A 32 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.977 29.4 172.1-150.7 155.6 -4.7 10.0 18.7 51 61 A K E -F 44 0A 102 -7,-1.9 -7,-2.9 -2,-0.3 2,-0.4 -0.974 35.6-100.7-161.3 159.0 -7.2 8.9 21.5 52 62 A R E +F 43 0A 129 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.704 40.5 179.3 -88.1 135.4 -7.3 6.6 24.4 53 63 A Y E -F 42 0A 11 -11,-2.7 -11,-2.5 -2,-0.4 2,-0.2 -0.958 24.4-113.3-134.0 155.7 -9.2 3.3 24.0 54 64 A R E -FG 41 74A 76 20,-0.5 20,-3.0 -2,-0.3 2,-0.3 -0.543 22.9-124.7 -88.2 151.9 -9.9 0.3 26.2 55 65 A W E - G 0 73A 57 -15,-2.5 -17,-2.7 18,-0.2 18,-0.2 -0.697 23.1-127.0 -83.7 143.0 -8.5 -3.2 25.9 56 66 A T E -F 37 0A 3 16,-3.1 -19,-0.3 -2,-0.3 3,-0.1 -0.375 30.9-103.5 -71.0 165.7 -10.9 -6.2 25.7 57 67 A T - 0 0 55 -21,-2.2 15,-0.4 1,-0.2 -1,-0.2 -0.226 64.4 -57.3 -73.2-176.5 -10.5 -9.0 28.1 58 68 A D - 0 0 113 13,-0.1 2,-0.4 -3,-0.1 13,-0.2 -0.430 56.3-169.9 -74.9 139.3 -8.8 -12.2 26.7 59 69 A R E - H 0 70A 26 11,-2.6 11,-2.6 -2,-0.1 2,-0.5 -0.941 26.1-119.6-123.8 146.2 -10.4 -13.9 23.7 60 70 A K E - H 0 69A 94 -2,-0.4 -47,-2.5 9,-0.2 2,-0.5 -0.742 30.7-162.2 -80.8 130.8 -9.7 -17.3 22.1 61 71 A V E -BH 12 68A 0 7,-3.2 7,-1.9 -2,-0.5 2,-1.6 -0.968 12.2-142.4-120.6 121.1 -8.6 -16.6 18.5 62 72 A H E + H 0 67A 72 -51,-2.7 -51,-0.4 -2,-0.5 5,-0.2 -0.554 28.1 178.7 -89.8 80.0 -8.7 -19.6 16.1 63 73 A L E > - H 0 66A 9 -2,-1.6 3,-2.2 3,-0.6 -53,-0.0 -0.487 40.4-119.6 -79.2 152.9 -5.7 -19.1 13.9 64 74 A A T 3 S+ 0 0 66 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 0.799 117.3 55.4 -61.2 -28.3 -4.9 -21.6 11.1 65 75 A T T 3 S- 0 0 69 1,-0.3 -1,-0.3 25,-0.0 2,-0.1 0.424 132.1 -64.4 -82.1 -5.2 -1.5 -22.1 12.9 66 76 A G E < -H 63 0A 33 -3,-2.2 -3,-0.6 2,-0.1 -1,-0.3 -0.219 61.2 -70.6 129.7 147.6 -3.4 -23.0 16.1 67 77 A K E +H 62 0A 126 -5,-0.2 2,-0.3 -3,-0.1 -5,-0.2 -0.355 52.7 170.6 -67.5 140.0 -5.7 -21.4 18.6 68 78 A V E -H 61 0A 43 -7,-1.9 -7,-3.2 -2,-0.1 2,-0.4 -0.906 34.9-106.2-139.2 167.0 -4.2 -18.8 21.0 69 79 A T E +H 60 0A 58 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.829 43.0 168.0 -94.9 136.2 -5.5 -16.2 23.5 70 80 A H E -H 59 0A 12 -11,-2.6 -11,-2.6 -2,-0.4 2,-0.4 -0.994 26.2-144.1-146.6 149.3 -5.4 -12.5 22.5 71 81 A S - 0 0 33 -2,-0.3 2,-0.3 -13,-0.2 -43,-0.3 -0.895 21.4-153.0-112.1 145.9 -6.7 -9.2 23.7 72 82 A F - 0 0 0 -15,-0.4 -16,-3.1 -2,-0.4 2,-0.4 -0.831 19.0-113.1-115.4 153.6 -7.8 -6.5 21.3 73 83 A L E -dG 29 55A 13 -45,-2.7 -43,-2.6 -2,-0.3 2,-0.8 -0.716 28.9-137.3 -78.5 134.6 -8.1 -2.7 21.4 74 84 A H E +dG 30 54A 34 -20,-3.0 -20,-0.5 -2,-0.4 -43,-0.2 -0.848 31.9 169.4 -94.6 109.3 -11.8 -1.7 21.2 75 85 A V > + 0 0 2 -45,-2.3 3,-1.9 -2,-0.8 -22,-0.1 -0.794 12.7 176.4-123.1 83.7 -11.8 1.2 18.8 76 86 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -45,-0.1 0.721 76.9 70.0 -66.9 -13.7 -15.4 2.0 17.9 77 87 A D T 3 S+ 0 0 71 85,-0.1 87,-0.1 -3,-0.1 -46,-0.1 0.590 84.0 87.4 -73.4 -13.8 -14.2 5.0 15.8 78 88 A C S < S- 0 0 12 -3,-1.9 84,-0.1 -48,-0.1 -3,-0.0 -0.713 77.7-138.5 -85.4 142.3 -12.8 2.5 13.3 79 89 A P S S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -48,-0.1 0.640 81.1 5.3 -79.6 -15.3 -15.2 1.1 10.5 80 90 A Y S S- 0 0 44 -78,-0.1 -61,-0.1 -50,-0.0 -51,-0.0 -0.984 90.0 -79.5-162.5 159.3 -14.1 -2.5 10.7 81 91 A P - 0 0 18 0, 0.0 -61,-2.8 0, 0.0 2,-0.5 -0.253 40.6-142.8 -63.1 150.8 -11.9 -4.7 12.7 82 92 A L E -cE 20 29A 14 -53,-1.8 -53,-2.4 -63,-0.2 2,-0.8 -0.976 6.8-153.3-123.8 128.6 -8.1 -4.8 12.0 83 93 A L E -c 21 0A 1 -63,-3.0 -61,-3.0 -2,-0.5 -58,-0.2 -0.873 33.4-172.0 -98.9 106.9 -5.8 -7.7 12.1 84 94 A G >> - 0 0 0 -2,-0.8 4,-2.5 -63,-0.2 3,-0.9 -0.146 40.1 -81.1 -99.7-172.0 -2.5 -6.2 13.0 85 95 A R H 3> S+ 0 0 32 -60,-2.9 4,-2.1 -63,-0.4 5,-0.2 0.760 118.8 68.8 -62.7 -28.8 1.2 -7.3 13.2 86 96 A D H 3> S+ 0 0 22 -60,-0.5 4,-0.7 -61,-0.3 -1,-0.3 0.901 114.0 27.8 -57.2 -41.9 0.6 -8.8 16.7 87 97 A L H <> S+ 0 0 0 -3,-0.9 4,-2.5 2,-0.2 -2,-0.2 0.793 114.0 62.2 -93.7 -26.7 -1.5 -11.5 15.2 88 98 A L H X>S+ 0 0 0 -4,-2.5 5,-1.4 1,-0.2 4,-1.3 0.880 102.5 54.5 -63.6 -30.9 0.1 -11.7 11.7 89 99 A T H <5S+ 0 0 64 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.913 110.5 45.4 -66.2 -40.7 3.3 -12.6 13.4 90 100 A K H <5S+ 0 0 85 -4,-0.7 -2,-0.2 1,-0.2 -1,-0.2 0.865 115.9 45.4 -71.2 -39.1 1.5 -15.6 15.2 91 101 A L H <5S- 0 0 1 -4,-2.5 -1,-0.2 -27,-0.1 -2,-0.2 0.700 96.7-143.7 -74.2 -18.4 -0.2 -16.6 12.0 92 102 A K T <5 - 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