==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 30-APR-12 4EXH . COMPND 2 MOLECULE: PUTATIVE GAG-PRO-POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DG-75 MURINE LEUKEMIA VIRUS; . AUTHOR M.LI,A.WLODAWER . 235 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10641.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 3.4 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 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 . 1 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 . 8 3 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 . 0 1 0 0 1 0 1 0 1 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 12 A P 0 0 133 0, 0.0 17,-0.1 0, 0.0 18,-0.0 0.000 360.0 360.0 360.0 167.0 -17.2 -5.9 4.4 2 13 A P - 0 0 8 0, 0.0 4,-0.1 0, 0.0 16,-0.0 -0.321 360.0 -95.5 -67.5 162.8 -13.7 -4.4 4.5 3 14 A P - 0 0 37 0, 0.0 17,-0.3 0, 0.0 0, 0.0 -0.258 62.4 -49.2 -69.9 167.2 -11.6 -4.3 1.3 4 15 A E S S+ 0 0 75 15,-0.1 98,-0.1 1,-0.1 2,-0.1 -0.469 111.1 60.0 -67.4 149.4 -9.1 -7.0 0.4 5 16 A P S S+ 0 0 0 0, 0.0 15,-2.6 0, 0.0 2,-0.3 0.508 83.2 144.9 -76.8 135.0 -6.8 -8.3 1.8 6 17 A R E -A 19 0A 89 95,-0.3 2,-0.3 13,-0.2 97,-0.3 -0.939 29.1-166.2-138.7 158.2 -9.3 -9.5 4.4 7 18 A I E -A 18 0A 3 11,-2.0 11,-3.2 -2,-0.3 2,-0.5 -0.997 15.1-139.8-145.9 139.5 -9.8 -12.5 6.6 8 19 A T E +A 17 0A 64 104,-2.1 2,-0.4 -2,-0.3 9,-0.2 -0.917 28.1 176.3-102.1 127.9 -12.6 -13.9 8.7 9 20 A L E -A 16 0A 11 7,-2.6 7,-2.7 -2,-0.5 2,-0.6 -0.968 35.0-117.5-128.1 144.2 -11.7 -15.4 12.1 10 21 A K E -A 15 0A 105 51,-0.5 51,-2.6 -2,-0.4 2,-0.5 -0.731 36.6-178.1 -76.1 120.7 -13.7 -16.8 15.0 11 22 A V E > S-AB 14 60A 9 3,-3.1 3,-1.8 -2,-0.6 49,-0.2 -0.984 71.2 -16.4-126.3 117.5 -13.0 -14.5 18.0 12 23 A G T 3 S- 0 0 47 47,-2.9 -1,-0.1 -2,-0.5 48,-0.1 0.848 130.6 -52.5 52.1 34.6 -14.6 -15.4 21.2 13 24 A G T 3 S+ 0 0 45 46,-0.4 -1,-0.3 1,-0.2 -3,-0.1 0.379 121.0 99.7 88.3 -5.3 -17.0 -17.7 19.3 14 25 A Q E < S-A 11 0A 139 -3,-1.8 -3,-3.1 -5,-0.0 2,-0.2 -0.932 75.7-114.5-116.2 139.1 -18.2 -15.1 16.8 15 26 A P E -A 10 0A 90 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.506 32.3-173.0 -67.4 131.6 -16.9 -14.6 13.2 16 27 A V E -A 9 0A 30 -7,-2.7 -7,-2.6 -2,-0.2 2,-0.7 -0.998 16.1-145.9-127.2 127.5 -15.1 -11.3 12.7 17 28 A T E -A 8 0A 50 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.3 -0.864 25.0-165.7 -93.8 116.3 -14.1 -10.1 9.2 18 29 A F E -A 7 0A 0 -11,-3.2 -11,-2.0 -2,-0.7 2,-0.5 -0.770 24.6-129.6-102.7 141.9 -10.8 -8.1 9.5 19 30 A L E -Ac 6 81A 2 61,-2.6 63,-2.5 -2,-0.3 2,-0.6 -0.808 36.9-122.9 -74.5 129.1 -9.0 -5.8 7.2 20 31 A V E - c 0 82A 0 -15,-2.6 2,-0.5 -2,-0.5 63,-0.2 -0.710 36.1-173.6 -79.4 119.4 -5.5 -7.2 7.2 21 32 A D > + 0 0 1 61,-2.5 3,-1.8 -2,-0.6 63,-0.3 -0.834 25.4 178.0-129.6 93.8 -3.4 -4.3 8.3 22 33 A T T 3 S+ 0 0 0 -2,-0.5 -1,-0.1 1,-0.3 62,-0.1 0.668 86.5 63.2 -68.5 -15.8 0.4 -4.6 8.2 23 34 A G T 3 S+ 0 0 0 -3,-0.1 214,-1.2 110,-0.1 2,-0.5 0.524 85.1 90.3 -83.1 -7.9 0.5 -0.9 9.4 24 35 A A B < -J 236 0B 0 -3,-1.8 60,-2.9 212,-0.3 61,-0.3 -0.798 58.5-162.6 -94.6 126.9 -1.3 -1.7 12.7 25 36 A Q S S+ 0 0 63 206,-2.7 60,-0.7 210,-1.9 2,-0.3 0.878 80.7 22.2 -72.5 -37.4 0.9 -2.6 15.6 26 37 A H S S- 0 0 53 205,-0.5 -1,-0.2 58,-0.1 58,-0.1 -0.946 89.7-101.9-130.8 154.7 -2.1 -4.2 17.5 27 38 A S - 0 0 0 -2,-0.3 45,-2.5 43,-0.2 2,-0.4 -0.365 35.1-151.1 -79.1 154.2 -5.4 -5.7 16.4 28 39 A V E -dE 72 81A 0 53,-2.3 53,-1.6 43,-0.2 2,-0.4 -0.975 15.0-162.0-134.3 134.2 -8.6 -3.8 16.7 29 40 A L E -d 73 0A 11 43,-2.6 45,-2.4 -2,-0.4 48,-0.1 -0.903 8.1-173.5-108.2 146.5 -12.3 -4.5 17.2 30 41 A T + 0 0 23 -2,-0.4 2,-0.3 1,-0.4 -1,-0.1 0.704 62.8 17.8-116.4 -31.4 -14.8 -1.7 16.4 31 42 A Q S S+ 0 0 144 1,-0.2 -1,-0.4 2,-0.0 43,-0.0 -0.984 119.1 15.9-142.5 156.0 -18.3 -2.8 17.4 32 43 A N + 0 0 141 -2,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.920 66.9 165.4 49.2 52.3 -19.7 -5.5 19.7 33 44 A P - 0 0 19 0, 0.0 38,-0.1 0, 0.0 -1,-0.1 0.648 34.4-140.7 -70.9 -14.4 -16.3 -6.0 21.4 34 45 A G + 0 0 42 21,-0.1 -2,-0.0 2,-0.0 -22,-0.0 -0.335 60.6 4.9 74.8-167.0 -17.7 -7.9 24.4 35 46 A P S S- 0 0 88 0, 0.0 21,-2.1 0, 0.0 2,-0.3 -0.107 74.1-146.0 -52.6 136.8 -16.4 -7.4 27.9 36 47 A L E -F 55 0A 52 19,-0.3 19,-0.3 2,-0.0 2,-0.1 -0.799 5.1-131.2-107.9 144.1 -13.9 -4.6 28.3 37 48 A S E - 0 0 27 17,-2.6 17,-0.1 -2,-0.3 19,-0.1 -0.482 21.9-122.8 -78.9 161.9 -10.9 -4.4 30.7 38 49 A D E S+ 0 0 153 -2,-0.1 2,-0.4 15,-0.1 -1,-0.1 0.265 84.0 103.2 -86.6 12.6 -10.3 -1.2 32.7 39 50 A K E - 0 0 157 15,-0.2 15,-2.6 16,-0.1 2,-0.3 -0.768 53.5-171.2 -94.1 140.8 -6.9 -0.9 31.1 40 51 A S E -F 53 0A 47 -2,-0.4 2,-0.3 13,-0.3 13,-0.2 -0.780 10.3-157.6-126.1 170.1 -6.3 1.6 28.3 41 52 A A E -F 52 0A 14 11,-2.7 11,-2.8 -2,-0.3 2,-0.6 -0.995 26.4-111.2-147.1 149.8 -3.7 2.6 25.8 42 53 A W E -F 51 0A 118 191,-0.3 2,-0.6 -2,-0.3 9,-0.2 -0.737 34.2-160.0 -78.6 121.6 -2.7 5.6 23.7 43 54 A V E -F 50 0A 0 7,-2.8 7,-2.0 -2,-0.6 2,-0.7 -0.916 4.2-158.2-108.7 117.5 -3.4 4.9 20.1 44 55 A Q E -FG 49 232A 62 188,-3.5 188,-3.1 -2,-0.6 192,-1.9 -0.859 17.3-178.7 -94.4 118.8 -1.7 7.0 17.4 45 56 A G - 0 0 0 3,-3.0 192,-0.2 -2,-0.7 193,-0.1 -0.363 44.7 -91.9-100.3-175.0 -3.5 6.9 14.1 46 57 A A S S+ 0 0 0 191,-0.7 144,-0.1 190,-0.4 191,-0.1 0.793 124.3 30.5 -67.1 -27.9 -2.7 8.6 10.7 47 58 A T S S- 0 0 15 115,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.447 129.9 -36.3-116.8 -5.0 -4.7 11.7 11.6 48 59 A G - 0 0 31 142,-0.1 -3,-3.0 114,-0.1 2,-0.3 -0.968 60.0 -96.3 171.3-162.1 -4.4 12.0 15.4 49 60 A G E +F 44 0A 30 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.991 29.3 171.6-149.1 147.4 -4.3 10.1 18.6 50 61 A K E -F 43 0A 100 -7,-2.0 -7,-2.8 -2,-0.3 2,-0.4 -0.989 34.8-104.5-155.7 157.7 -6.7 9.0 21.3 51 62 A R E +F 42 0A 136 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.698 41.8 176.7 -85.8 130.8 -7.0 6.8 24.5 52 63 A Y E -F 41 0A 15 -11,-2.8 -11,-2.7 -2,-0.4 2,-0.2 -0.944 25.2-113.4-133.5 161.0 -8.8 3.5 24.1 53 64 A R E -FH 40 73A 99 20,-0.5 20,-2.8 -2,-0.3 2,-0.3 -0.556 22.1-126.5 -90.9 150.7 -9.6 0.4 26.2 54 65 A W E - H 0 72A 49 -15,-2.6 -17,-2.6 18,-0.2 -15,-0.2 -0.684 25.3-124.2 -82.2 151.4 -8.4 -3.1 25.8 55 66 A T E -F 36 0A 3 16,-2.7 -19,-0.3 -2,-0.3 3,-0.1 -0.402 32.0 -99.8 -79.3 167.2 -10.9 -6.0 25.7 56 67 A T - 0 0 54 -21,-2.1 15,-0.4 1,-0.2 -1,-0.1 -0.295 66.4 -59.5 -71.1 174.6 -10.7 -8.9 28.1 57 68 A D - 0 0 118 13,-0.1 2,-0.4 -2,-0.1 13,-0.2 -0.337 57.0-168.4 -63.9 138.9 -9.0 -12.0 26.7 58 69 A R E - I 0 69A 30 11,-2.6 11,-3.0 -3,-0.1 2,-0.5 -0.964 24.8-121.5-122.5 143.9 -10.6 -13.7 23.7 59 70 A K E - I 0 68A 92 -2,-0.4 -47,-2.9 9,-0.2 2,-0.5 -0.743 31.0-161.0 -79.6 127.4 -9.9 -17.1 22.1 60 71 A V E -BI 11 67A 0 7,-3.4 7,-2.0 -2,-0.5 2,-1.4 -0.959 11.4-143.1-116.9 119.9 -8.9 -16.5 18.5 61 72 A H E + I 0 66A 78 -51,-2.6 -51,-0.5 -2,-0.5 5,-0.2 -0.628 27.4 178.5 -88.0 85.7 -9.1 -19.4 16.0 62 73 A L E > - I 0 65A 9 -2,-1.4 3,-1.9 3,-0.6 -53,-0.0 -0.519 40.5-120.9 -82.1 154.1 -6.0 -18.9 13.8 63 74 A A T 3 S+ 0 0 57 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 0.812 118.6 56.9 -62.9 -28.7 -5.3 -21.4 10.9 64 75 A T T 3 S- 0 0 66 1,-0.3 -1,-0.3 42,-0.0 2,-0.1 0.439 132.7 -75.2 -79.0 -1.3 -2.0 -22.0 12.7 65 76 A G E < -I 62 0A 34 -3,-1.9 -3,-0.6 2,-0.0 -1,-0.3 -0.184 60.4 -61.8 119.9 152.4 -4.0 -22.9 15.8 66 77 A K E +I 61 0A 134 -5,-0.2 2,-0.3 -3,-0.1 -5,-0.2 -0.322 50.9 172.9 -72.7 145.2 -6.0 -21.1 18.5 67 78 A V E -I 60 0A 36 -7,-2.0 -7,-3.4 -2,-0.1 2,-0.4 -0.904 34.8-105.3-138.0 165.4 -4.5 -18.6 20.9 68 79 A T E +I 59 0A 62 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.831 45.6 168.2 -94.2 134.8 -5.7 -16.1 23.5 69 80 A H E -I 58 0A 22 -11,-3.0 -11,-2.6 -2,-0.4 2,-0.4 -0.998 27.0-148.0-146.8 146.9 -5.6 -12.5 22.5 70 81 A S - 0 0 33 -2,-0.3 2,-0.3 -13,-0.2 -43,-0.2 -0.953 20.9-152.5-117.5 142.7 -6.9 -9.1 23.7 71 82 A F - 0 0 0 -15,-0.4 -16,-2.7 -2,-0.4 2,-0.4 -0.734 19.9-111.8-113.1 153.4 -7.9 -6.4 21.2 72 83 A L E -dH 28 54A 0 -45,-2.5 -43,-2.6 -2,-0.3 2,-0.8 -0.748 29.3-138.9 -76.2 128.9 -8.0 -2.6 21.3 73 84 A H E +dH 29 53A 35 -20,-2.8 -20,-0.5 -2,-0.4 -43,-0.2 -0.868 32.8 167.4 -90.3 109.7 -11.7 -1.4 21.2 74 85 A V > + 0 0 1 -45,-2.4 3,-1.3 -2,-0.8 -22,-0.1 -0.826 13.3 176.7-126.7 86.4 -11.6 1.5 18.8 75 86 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -45,-0.1 0.687 79.0 64.3 -69.9 -13.7 -15.2 2.4 17.8 76 87 A D T 3 S+ 0 0 70 84,-0.1 85,-0.1 85,-0.0 86,-0.1 0.688 83.3 97.1 -75.1 -20.8 -13.9 5.4 15.7 77 88 A C S < S- 0 0 9 -3,-1.3 83,-0.1 -48,-0.1 84,-0.1 -0.510 72.8-140.5 -77.1 136.1 -12.1 3.0 13.4 78 89 A P S S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 -48,-0.1 0.762 80.4 18.0 -69.7 -30.1 -14.0 2.0 10.1 79 90 A Y S S- 0 0 61 -50,-0.0 2,-0.1 -60,-0.0 -61,-0.1 -0.976 86.1 -99.3-136.9 150.5 -13.1 -1.7 10.0 80 91 A P - 0 0 23 0, 0.0 -61,-2.6 0, 0.0 2,-0.4 -0.486 47.6-143.3 -61.6 145.1 -11.8 -4.3 12.5 81 92 A L E -cE 19 28A 6 -53,-1.6 -53,-2.3 -63,-0.2 2,-0.7 -0.938 16.5-153.7-123.3 136.5 -8.0 -4.6 11.9 82 93 A L E -c 20 0A 0 -63,-2.5 -61,-2.5 -2,-0.4 -58,-0.2 -0.925 32.6-170.6-105.7 105.8 -5.7 -7.6 12.1 83 94 A G >> - 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