==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-MAY-05 1ZPA . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR A.BRIK,J.ALEXANDRATOS,Y.C.LIN,J.H.ELDER,A.J.OLSON,A.WLODAWER . 99 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6893.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 60 60.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 31.3 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 . 3 3.0 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 . 12 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 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 2 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 . 1 0 1 0 0 1 1 1 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 0 0 1 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 P 0 0 153 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-148.3 -13.1 39.3 29.5 2 2 A Q - 0 0 176 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.861 360.0-168.8-108.7 144.3 -14.5 37.6 26.4 3 3 A I - 0 0 80 -2,-0.3 2,-0.1 6,-0.0 0, 0.0 -0.939 9.1-149.9-144.6 123.2 -12.5 35.0 24.5 4 4 A T - 0 0 84 -2,-0.4 3,-0.3 1,-0.1 -2,-0.0 -0.329 17.8-129.9 -82.2 166.7 -13.2 33.5 21.1 5 5 A L S S+ 0 0 121 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.139 74.6 108.8-116.7 20.9 -12.0 30.0 20.2 6 6 A W S S+ 0 0 218 2,-0.1 2,-0.3 3,-0.0 -1,-0.2 0.814 92.9 30.3 -65.7 -24.4 -10.3 30.4 16.8 7 7 A K S S- 0 0 164 -3,-0.3 0, 0.0 3,-0.0 0, 0.0 -0.866 111.0 -75.2-122.7 166.1 -7.1 29.8 18.8 8 8 A R - 0 0 199 -2,-0.3 2,-2.2 1,-0.1 -2,-0.1 -0.417 47.1-120.0 -55.1 128.5 -6.4 27.7 22.0 9 9 A P + 0 0 24 0, 0.0 15,-2.8 0, 0.0 2,-0.4 -0.500 49.8 169.5 -74.7 72.9 -7.8 29.5 25.0 10 10 A L E +A 23 0A 87 -2,-2.2 2,-0.3 13,-0.2 13,-0.2 -0.748 7.3 178.7 -90.6 131.9 -4.4 29.7 26.7 11 11 A V E -A 22 0A 16 11,-3.2 11,-2.6 -2,-0.4 2,-0.4 -0.854 31.3-105.9-128.6 165.3 -4.0 31.9 29.8 12 12 A T E -A 21 0A 85 -2,-0.3 55,-2.7 9,-0.2 2,-0.3 -0.736 37.8-173.7 -87.4 133.3 -1.3 32.9 32.3 13 13 A I E -AB 20 66A 2 7,-3.0 7,-2.6 -2,-0.4 2,-0.4 -0.928 16.8-152.1-122.2 156.0 -1.5 31.3 35.7 14 14 A K E +AB 19 65A 106 51,-2.0 51,-3.6 -2,-0.3 2,-0.3 -1.000 29.1 154.3-124.0 127.0 0.4 31.8 39.0 15 15 A I E > +AB 18 64A 2 3,-2.3 3,-2.1 -2,-0.4 49,-0.1 -0.976 65.2 6.1-154.8 136.6 0.6 28.8 41.3 16 16 A G T 3 S- 0 0 39 47,-0.6 3,-0.1 -2,-0.3 48,-0.1 0.763 130.7 -61.1 58.0 25.3 3.2 27.8 44.0 17 17 A G T 3 S+ 0 0 62 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.496 114.7 115.5 81.9 1.6 4.9 31.2 43.3 18 18 A Q E < -A 15 0A 69 -3,-2.1 -3,-2.3 19,-0.1 2,-0.4 -0.833 62.3-130.3-114.0 152.5 5.5 30.2 39.6 19 19 A L E +A 14 0A 129 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.818 37.9 155.2-100.1 130.0 4.3 31.5 36.3 20 20 A K E -A 13 0A 45 -7,-2.6 -7,-3.0 -2,-0.4 2,-0.4 -0.886 37.6-116.2-144.6 171.0 2.8 29.1 33.8 21 21 A E E +A 12 0A 131 -2,-0.3 2,-0.3 -9,-0.2 62,-0.2 -0.917 33.9 177.8-112.0 145.9 0.5 28.8 30.8 22 22 A A E -A 11 0A 2 -11,-2.6 -11,-3.2 -2,-0.4 2,-0.4 -0.986 27.9-112.1-148.8 159.9 -2.7 26.8 30.9 23 23 A L E -Ac 10 84A 31 60,-2.4 62,-3.0 -2,-0.3 2,-0.9 -0.760 22.9-131.1 -91.3 126.5 -5.7 25.8 28.8 24 24 A L E - c 0 85A 30 -15,-2.8 2,-0.7 -2,-0.4 62,-0.1 -0.714 37.3-172.8 -73.3 107.4 -9.3 27.0 29.7 25 25 A D > + 0 0 45 60,-2.5 3,-2.0 -2,-0.9 62,-0.3 -0.806 27.0 176.9-120.9 90.7 -10.8 23.5 29.3 26 26 A T T 3 S+ 0 0 76 -2,-0.7 -1,-0.1 1,-0.3 61,-0.1 0.650 84.5 63.7 -64.9 -15.0 -14.6 23.3 29.6 27 27 A G T 3 S+ 0 0 67 -3,-0.1 2,-0.5 59,-0.0 -1,-0.3 0.375 88.7 83.4 -89.2 3.7 -14.3 19.5 28.9 28 28 A A < - 0 0 16 -3,-2.0 59,-3.1 57,-0.2 60,-0.2 -0.915 55.7-167.6-108.8 119.8 -12.3 18.9 32.1 29 29 A D S S+ 0 0 100 -2,-0.5 59,-2.0 57,-0.2 2,-0.2 0.898 80.3 39.6 -63.3 -34.3 -14.1 18.4 35.4 30 30 A D S S- 0 0 50 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.701 83.4-114.1-122.0 158.8 -10.7 18.9 37.1 31 31 A T - 0 0 0 43,-0.5 45,-3.0 -2,-0.2 2,-0.4 -0.841 33.7-177.9 -98.0 123.4 -7.6 21.0 36.9 32 32 A V E -dE 76 84A 8 52,-1.7 52,-2.6 -2,-0.5 2,-0.3 -0.974 1.9-172.8-130.3 121.9 -4.5 19.0 36.0 33 33 A L E -d 77 0A 0 43,-2.9 45,-2.4 -2,-0.4 47,-0.2 -0.878 29.5-101.7-115.2 148.7 -1.0 20.5 35.7 34 34 A E - 0 0 90 -2,-0.3 -1,-0.1 43,-0.2 2,-0.1 0.058 69.0 -58.4 -50.6 166.0 2.4 19.1 34.5 35 35 A E S S+ 0 0 109 45,-0.2 2,-0.3 42,-0.1 -1,-0.2 -0.286 76.6 162.7 -57.3 121.2 4.8 18.0 37.1 36 36 A M - 0 0 10 -3,-0.2 2,-1.0 -2,-0.1 -20,-0.1 -0.933 48.0 -97.1-138.6 167.8 5.6 20.9 39.3 37 37 A S + 0 0 91 -2,-0.3 -19,-0.1 -21,-0.1 -2,-0.0 -0.765 50.5 168.7 -82.2 90.7 7.1 22.0 42.6 38 38 A L - 0 0 19 -2,-1.0 2,-0.1 2,-0.1 -2,-0.0 -0.918 32.2-122.2-109.3 132.3 4.0 22.4 44.9 39 39 A P + 0 0 98 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.465 63.3 10.5 -67.0 147.0 4.4 22.8 48.6 40 40 A G S S- 0 0 42 -2,-0.1 -2,-0.1 19,-0.0 2,-0.1 -0.339 87.2 -24.1 104.3-168.9 2.7 20.3 50.9 41 41 A R + 0 0 205 -2,-0.1 2,-0.3 19,-0.1 19,-0.2 -0.272 49.0 177.4 -79.2 160.3 0.8 17.0 51.4 42 42 A W - 0 0 114 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.950 23.5-127.9-167.1 146.6 -1.2 15.2 48.7 43 43 A K E -F 58 0A 148 15,-1.7 15,-2.4 -2,-0.3 13,-0.0 -0.807 36.6-101.7-105.4 148.3 -3.2 12.0 48.2 44 44 A P E +F 57 0A 112 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.185 47.0 178.9 -64.5 151.5 -2.7 9.6 45.3 45 45 A K E -F 56 0A 61 11,-1.4 11,-3.5 2,-0.0 2,-0.4 -0.999 26.9-148.4-155.9 155.7 -5.1 9.7 42.4 46 46 A M E -F 55 0A 115 -2,-0.3 2,-0.4 9,-0.3 9,-0.2 -0.981 17.8-174.6-119.8 135.4 -6.1 8.3 39.0 47 47 A I E -F 54 0A 29 7,-2.6 7,-2.4 -2,-0.4 2,-0.2 -0.996 15.1-135.5-133.9 147.9 -7.8 10.3 36.2 48 48 A G E +F 53 0A 54 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.567 30.3 150.5 -96.6 153.7 -9.2 9.3 32.9 49 49 A G E > -F 52 0A 54 3,-2.0 3,-1.1 -2,-0.2 2,-0.2 -0.862 56.9 -53.8-157.1-172.1 -8.8 10.9 29.5 50 50 A I T 3 S+ 0 0 184 -2,-0.2 0, 0.0 1,-0.2 0, 0.0 -0.562 126.7 28.5 -69.3 141.2 -8.7 10.1 25.8 51 51 A G T 3 S- 0 0 91 -2,-0.2 2,-0.4 -3,-0.0 -1,-0.2 0.312 125.8 -76.0 96.8 -24.0 -6.1 7.4 25.4 52 52 A G E < S-F 49 0A 30 -3,-1.1 -3,-2.0 2,-0.0 2,-0.3 -0.978 70.2 -28.5 134.3-145.8 -6.4 6.0 28.8 53 53 A F E -F 48 0A 158 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.803 34.3-164.3-117.8 155.4 -5.4 6.9 32.4 54 54 A I E -F 47 0A 47 -7,-2.4 -7,-2.6 -2,-0.3 2,-0.4 -0.973 22.8-125.5-129.2 152.8 -2.7 8.8 34.3 55 55 A K E +F 46 0A 160 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.3 -0.792 37.7 177.4 -93.4 137.5 -1.8 8.7 37.9 56 56 A V E -F 45 0A 5 -11,-3.5 -11,-1.4 -2,-0.4 2,-0.5 -0.935 31.7-116.2-138.7 162.4 -1.8 12.1 39.6 57 57 A R E -FG 44 77A 50 20,-2.9 20,-3.0 -2,-0.3 2,-0.7 -0.841 27.0-145.1 -98.2 133.1 -1.3 13.8 42.9 58 58 A Q E -FG 43 76A 44 -15,-2.4 -15,-1.7 -2,-0.5 2,-0.4 -0.853 17.1-177.8-102.8 108.9 -4.3 15.6 44.4 59 59 A Y E - G 0 75A 9 16,-2.4 16,-3.4 -2,-0.7 3,-0.3 -0.915 13.0-154.5-102.1 134.7 -3.6 18.8 46.3 60 60 A D E + 0 0 62 -2,-0.4 14,-0.2 14,-0.3 -19,-0.1 -0.651 67.6 19.2-105.5 156.4 -6.6 20.5 47.9 61 61 A Q E S+ 0 0 159 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.866 79.8 165.1 49.6 41.6 -7.2 24.2 48.8 62 62 A I E - G 0 73A 24 11,-2.6 11,-1.4 -3,-0.3 2,-0.4 -0.788 34.7-131.7 -86.2 132.3 -4.4 25.3 46.5 63 63 A L E + G 0 72A 94 -2,-0.5 -47,-0.6 9,-0.2 2,-0.4 -0.649 33.2 171.6 -81.5 136.1 -4.3 29.0 45.7 64 64 A I E -BG 15 71A 0 7,-2.8 7,-1.7 -2,-0.4 2,-0.6 -0.992 26.4-144.1-145.5 135.6 -4.0 29.7 42.0 65 65 A E E -BG 14 70A 63 -51,-3.6 -51,-2.0 -2,-0.4 2,-0.6 -0.887 16.8-167.2-104.1 126.1 -4.2 33.0 40.1 66 66 A I E > -BG 13 69A 2 3,-3.4 3,-2.3 -2,-0.6 -53,-0.2 -0.916 69.8 -35.3-120.0 106.9 -5.9 32.6 36.6 67 67 A C T 3 S- 0 0 71 -55,-2.7 -1,-0.2 -2,-0.6 -54,-0.1 0.863 127.1 -43.8 50.8 40.2 -5.5 35.5 34.2 68 68 A G T 3 S+ 0 0 51 -56,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.239 118.7 109.2 92.6 -14.0 -5.8 37.8 37.2 69 69 A H E < - G 0 66A 92 -3,-2.3 -3,-3.4 24,-0.0 -1,-0.2 -0.873 60.0-142.3 -99.6 122.5 -8.7 36.0 39.0 70 70 A K E + G 0 65A 141 -2,-0.6 2,-0.3 -5,-0.3 -5,-0.2 -0.522 24.3 169.2 -82.1 146.0 -7.8 34.1 42.2 71 71 A A E - G 0 64A 3 -7,-1.7 -7,-2.8 -2,-0.2 2,-0.4 -0.942 22.0-151.3-147.0 158.4 -9.3 30.7 43.1 72 72 A I E + G 0 63A 87 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.983 46.3 102.7-130.6 135.6 -8.6 28.1 45.8 73 73 A G E - G 0 62A 16 -11,-1.4 -11,-2.6 -2,-0.4 2,-0.3 -0.963 68.9 -35.0 173.0-172.8 -9.5 24.5 45.0 74 74 A T E - 0 0 36 -2,-0.3 -43,-0.5 -14,-0.2 2,-0.4 -0.560 44.7-172.5 -79.1 134.7 -8.1 21.1 44.0 75 75 A V E - G 0 59A 0 -16,-3.4 -16,-2.4 -2,-0.3 2,-0.4 -0.993 10.3-152.0-127.4 124.4 -5.2 20.9 41.6 76 76 A L E -dG 32 58A 0 -45,-3.0 -43,-2.9 -2,-0.4 2,-0.5 -0.789 10.4-157.2 -97.8 135.0 -4.0 17.5 40.3 77 77 A V E +dG 33 57A 0 -20,-3.0 -20,-2.9 -2,-0.4 -43,-0.2 -0.920 35.3 91.4-116.0 134.7 -0.4 17.1 39.3 78 78 A G S S- 0 0 1 -45,-2.4 2,-3.1 -2,-0.5 -22,-0.1 -0.992 78.4 -31.2 171.6-173.0 1.0 14.6 36.9 79 79 A P + 0 0 96 0, 0.0 -45,-0.1 0, 0.0 -23,-0.1 -0.151 69.9 145.8 -67.3 47.6 2.1 13.5 33.5 80 80 A T - 0 0 14 -2,-3.1 -45,-0.2 -47,-0.2 -2,-0.1 -0.740 47.6-142.6 -83.9 139.4 -0.5 15.5 31.6 81 81 A P S S+ 0 0 121 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.482 84.8 37.6 -77.2 -4.3 0.9 16.8 28.3 82 82 A V S S- 0 0 50 -50,-0.1 2,-0.3 -59,-0.0 -50,-0.1 -0.988 87.3-112.2-149.8 138.8 -0.9 20.1 28.7 83 83 A N - 0 0 11 -2,-0.3 -60,-2.4 -62,-0.2 2,-0.5 -0.582 42.4-163.8 -71.3 129.9 -1.6 22.3 31.6 84 84 A I E -cE 23 32A 23 -52,-2.6 -52,-1.7 -2,-0.3 2,-0.6 -0.965 21.0-160.3-128.2 121.6 -5.4 22.2 32.1 85 85 A I E -c 24 0A 0 -62,-3.0 -60,-2.5 -2,-0.5 -57,-0.2 -0.893 28.2-164.7 -94.7 114.8 -7.8 24.5 34.0 86 86 A G >> - 0 0 0 -2,-0.6 4,-2.5 -62,-0.1 3,-1.8 -0.380 35.7 -86.7-101.5 176.3 -11.0 22.5 34.6 87 87 A R H 3> S+ 0 0 119 -59,-3.1 4,-2.9 -62,-0.3 5,-0.4 0.797 117.3 70.4 -54.7 -37.5 -14.6 23.4 35.7 88 88 A N H 3> S+ 0 0 40 -59,-2.0 4,-0.5 1,-0.2 -1,-0.3 0.857 115.9 26.2 -49.8 -35.0 -13.8 23.2 39.4 89 89 A L H <> S+ 0 0 0 -3,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.809 114.5 63.5-101.5 -30.6 -11.8 26.4 38.9 90 90 A L H ><>S+ 0 0 9 -4,-2.5 5,-2.0 1,-0.2 3,-0.5 0.900 102.6 52.7 -56.6 -36.8 -13.6 27.8 35.9 91 91 A T H ><5S+ 0 0 100 -4,-2.9 3,-2.1 1,-0.2 -1,-0.2 0.949 103.6 57.6 -64.1 -41.2 -16.7 28.1 38.0 92 92 A Q H 3<5S+ 0 0 96 -4,-0.5 -1,-0.2 -5,-0.4 -2,-0.2 0.790 106.6 48.5 -60.5 -23.8 -14.8 30.0 40.7 93 93 A I T <<5S- 0 0 29 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.436 114.5-111.7-103.1 13.9 -13.8 32.7 38.2 94 94 A G T < 5 + 0 0 60 -3,-2.1 2,-0.3 -4,-0.2 -3,-0.2 0.764 57.7 165.1 70.7 22.9 -17.2 33.3 36.8 95 95 A C < + 0 0 55 -5,-2.0 2,-0.3 -6,-0.2 -1,-0.2 -0.626 9.4 177.2 -77.4 132.0 -16.2 31.8 33.4 96 96 A T - 0 0 101 -2,-0.3 2,-0.4 2,-0.0 -5,-0.0 -0.854 28.4-124.3-128.9 165.6 -19.1 30.9 31.1 97 97 A L - 0 0 118 -2,-0.3 2,-0.4 -71,-0.0 -2,-0.0 -0.865 30.2-173.8-106.1 138.3 -19.7 29.6 27.6 98 98 A N 0 0 132 -2,-0.4 -2,-0.0 0, 0.0 0, 0.0 -0.988 360.0 360.0-141.7 135.5 -21.9 31.7 25.2 99 99 A F 0 0 271 -2,-0.4 -2,-0.0 0, 0.0 0, 0.0 -0.969 360.0 360.0-160.8 360.0 -23.3 31.1 21.7