==== 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 1ZP8 . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR A.BRIK,J.N.ALEXANDRATOS,J.H.ELDER,A.J.OLSON,A.WLODAWER,D.S.G . 99 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6998.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 61 61.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 7.1 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 . 14 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 3.0 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 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 0 0 RESIDUES PER ALPHA HELIX . 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 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 0 149 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 169.3 -13.1 39.6 29.4 2 2 A Q - 0 0 175 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.859 360.0-164.4-100.8 141.0 -14.6 37.7 26.5 3 3 A I - 0 0 76 -2,-0.4 2,-0.1 6,-0.0 0, 0.0 -0.971 6.0-151.9-127.6 132.2 -12.5 35.2 24.7 4 4 A T - 0 0 89 -2,-0.4 3,-0.3 1,-0.1 0, 0.0 -0.451 18.9-127.4 -85.4 167.7 -13.3 33.7 21.2 5 5 A L S S+ 0 0 120 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.134 75.2 109.5-114.9 18.1 -12.1 30.1 20.3 6 6 A W S S+ 0 0 239 2,-0.1 2,-0.3 3,-0.0 -1,-0.2 0.769 93.5 28.7 -63.3 -22.6 -10.3 30.6 17.0 7 7 A K S S- 0 0 170 -3,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.875 111.5 -73.4-127.3 168.3 -7.1 29.9 19.1 8 8 A R - 0 0 189 -2,-0.3 2,-2.1 1,-0.1 -2,-0.1 -0.311 47.2-120.2 -56.1 133.1 -6.5 27.9 22.2 9 9 A P + 0 0 22 0, 0.0 15,-3.1 0, 0.0 2,-0.4 -0.525 49.9 170.0 -80.6 74.7 -8.0 29.7 25.3 10 10 A L E +A 23 0A 89 -2,-2.1 2,-0.3 13,-0.2 13,-0.2 -0.698 9.4 179.5 -94.0 138.5 -4.6 30.0 27.1 11 11 A V E -A 22 0A 18 11,-3.3 11,-2.7 -2,-0.4 2,-0.4 -0.889 30.3-108.7-133.8 161.8 -4.2 32.1 30.1 12 12 A T E -A 21 0A 86 -2,-0.3 55,-2.5 9,-0.2 2,-0.4 -0.658 36.8-171.7 -87.8 129.4 -1.4 33.0 32.5 13 13 A I E -AB 20 66A 2 7,-4.2 7,-3.0 -2,-0.4 2,-0.5 -0.932 17.3-149.7-125.8 155.9 -1.6 31.5 35.9 14 14 A K E +AB 19 65A 96 51,-2.4 51,-3.0 -2,-0.4 2,-0.3 -0.988 28.5 158.7-115.9 126.2 0.3 32.0 39.1 15 15 A I E > +AB 18 64A 2 3,-3.2 3,-1.6 -2,-0.5 49,-0.1 -0.972 65.2 1.2-151.6 132.4 0.5 29.0 41.5 16 16 A G T 3 S- 0 0 43 47,-0.5 3,-0.1 -2,-0.3 48,-0.1 0.845 128.6 -60.9 63.6 33.2 3.0 28.2 44.2 17 17 A G T 3 S+ 0 0 63 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.541 116.9 113.5 67.8 7.9 4.8 31.4 43.5 18 18 A Q E < -A 15 0A 66 -3,-1.6 -3,-3.2 19,-0.1 2,-0.4 -0.902 63.6-130.9-113.3 146.2 5.5 30.2 39.9 19 19 A L E +A 14 0A 128 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.805 35.0 161.9 -99.3 131.0 4.1 31.5 36.7 20 20 A K E -A 13 0A 54 -7,-3.0 -7,-4.2 -2,-0.4 2,-0.4 -0.862 34.8-119.8-141.4 170.8 2.6 29.1 34.1 21 21 A E E +A 12 0A 131 -2,-0.3 2,-0.3 -9,-0.3 62,-0.3 -0.894 34.2 179.8-114.3 144.2 0.3 29.0 31.1 22 22 A A E -A 11 0A 1 -11,-2.7 -11,-3.3 -2,-0.4 2,-0.5 -0.976 28.1-114.5-151.2 157.9 -2.8 27.0 31.1 23 23 A L E -Ac 10 84A 32 60,-2.2 62,-2.6 -2,-0.3 2,-0.6 -0.822 24.3-131.6 -96.7 121.0 -5.8 26.0 28.9 24 24 A L E - c 0 85A 30 -15,-3.1 2,-0.7 -2,-0.5 62,-0.1 -0.567 37.6-171.8 -65.5 111.6 -9.3 27.2 29.9 25 25 A D > + 0 0 45 60,-2.5 3,-1.9 -2,-0.6 62,-0.4 -0.724 28.8 179.8-131.4 102.7 -11.0 23.9 29.6 26 26 A T T 3 S+ 0 0 74 -2,-0.7 -1,-0.2 1,-0.3 61,-0.1 0.729 84.6 60.3 -68.4 -15.6 -14.8 23.4 29.8 27 27 A G T 3 S+ 0 0 66 59,-0.0 2,-0.5 60,-0.0 -1,-0.3 0.436 88.2 87.0 -95.1 12.6 -14.6 19.7 29.2 28 28 A A < - 0 0 15 -3,-1.9 59,-3.1 57,-0.2 60,-0.2 -0.913 55.2-166.6-108.2 123.2 -12.5 19.1 32.3 29 29 A D S S+ 0 0 97 -2,-0.5 59,-1.5 57,-0.2 2,-0.2 0.893 78.0 39.5 -69.8 -33.3 -14.2 18.5 35.6 30 30 A D S S- 0 0 55 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.693 84.0-112.2-120.3 165.1 -10.9 19.0 37.4 31 31 A T E -d 75 0A 0 43,-0.5 45,-2.9 -2,-0.2 2,-0.4 -0.794 35.4-176.6 -96.6 125.8 -7.8 21.1 37.2 32 32 A V E -dE 76 84A 6 52,-2.1 52,-2.4 -2,-0.5 2,-0.3 -0.969 4.4-172.1-129.4 125.8 -4.7 19.2 36.2 33 33 A L E -d 77 0A 0 43,-4.0 45,-2.8 -2,-0.4 47,-0.2 -0.898 29.3-108.0-115.7 150.9 -1.1 20.6 35.9 34 34 A E - 0 0 89 -2,-0.3 -1,-0.1 43,-0.2 50,-0.0 -0.062 68.6 -58.6 -56.6 166.2 2.1 19.1 34.5 35 35 A E S S+ 0 0 109 43,-0.3 2,-0.3 45,-0.2 -1,-0.2 -0.279 75.2 153.8 -58.9 135.3 4.7 18.1 37.2 36 36 A M - 0 0 15 -3,-0.2 2,-0.7 2,-0.0 -3,-0.0 -0.950 49.1 -87.4-154.8 165.3 5.7 21.1 39.3 37 37 A S + 0 0 95 -2,-0.3 -19,-0.1 -21,-0.1 -2,-0.0 -0.802 50.6 167.3 -90.4 116.9 7.0 22.0 42.8 38 38 A L - 0 0 24 -2,-0.7 2,-0.2 2,-0.1 -2,-0.0 -0.908 28.0-125.7-122.4 144.1 4.2 22.4 45.3 39 39 A P + 0 0 97 0, 0.0 2,-0.0 0, 0.0 -23,-0.0 -0.526 62.8 16.4 -85.8 155.2 4.3 22.7 49.1 40 40 A G S S- 0 0 64 -2,-0.2 2,-0.1 19,-0.0 -2,-0.1 -0.231 95.0 -22.0 88.7-169.3 2.4 20.6 51.6 41 41 A R - 0 0 233 19,-0.1 19,-0.4 -2,-0.0 2,-0.3 -0.477 49.3-172.1 -86.6 161.1 0.5 17.3 51.5 42 42 A W - 0 0 111 17,-0.1 17,-0.2 -2,-0.1 34,-0.0 -0.940 17.0-135.7-138.2 152.6 -1.1 15.5 48.5 43 43 A K E -F 58 0A 146 15,-1.8 15,-3.4 -2,-0.3 2,-0.1 -0.895 31.6-110.8-112.3 141.8 -3.4 12.4 48.1 44 44 A P E +F 57 0A 97 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.535 47.9 173.5 -76.4 144.1 -2.6 9.8 45.3 45 45 A K E -F 56 0A 60 11,-3.1 11,-3.5 -2,-0.1 2,-0.4 -0.963 29.8-143.6-149.6 165.1 -5.2 9.7 42.5 46 46 A M E +F 55 0A 111 -2,-0.3 2,-0.4 9,-0.3 9,-0.2 -0.983 17.6 179.0-129.2 131.4 -6.2 8.4 39.1 47 47 A I E -F 54 0A 34 7,-3.0 7,-3.5 -2,-0.4 2,-0.3 -0.984 14.7-144.3-129.9 149.9 -7.9 10.3 36.3 48 48 A G E +F 53 0A 46 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.779 25.0 153.6-112.4 152.5 -9.0 9.2 32.9 49 49 A G E > -F 52 0A 58 3,-1.8 3,-1.2 -2,-0.3 2,-0.3 -0.756 59.5 -43.1-149.5-162.5 -9.1 11.0 29.5 50 50 A I T 3 S+ 0 0 185 1,-0.2 -1,-0.0 -2,-0.2 0, 0.0 -0.500 128.4 27.0 -70.4 137.0 -8.9 10.2 25.9 51 51 A G T 3 S- 0 0 86 -2,-0.3 2,-0.3 -3,-0.0 -1,-0.2 0.309 122.7 -63.3 108.1 -28.8 -6.2 7.7 25.6 52 52 A G E < -F 49 0A 40 -3,-1.2 -3,-1.8 2,-0.0 2,-0.2 -0.900 68.3 -43.8 135.7-168.7 -6.1 6.1 29.0 53 53 A F E -F 48 0A 147 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.653 36.1-160.5-105.5 153.9 -5.5 6.8 32.7 54 54 A I E -F 47 0A 43 -7,-3.5 -7,-3.0 -2,-0.2 2,-0.4 -0.988 18.4-130.2-134.2 150.7 -3.0 8.7 34.7 55 55 A K E +F 46 0A 150 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.3 -0.768 37.4 176.0 -87.3 134.4 -1.9 8.7 38.3 56 56 A V E -F 45 0A 8 -11,-3.5 -11,-3.1 -2,-0.4 2,-0.5 -0.881 33.7-115.7-133.5 167.4 -1.9 12.2 39.8 57 57 A R E -FG 44 77A 88 20,-2.0 20,-2.1 -2,-0.3 2,-0.7 -0.926 28.9-143.0-100.2 118.5 -1.3 13.9 43.1 58 58 A Q E -FG 43 76A 44 -15,-3.4 -15,-1.8 -2,-0.5 2,-0.5 -0.664 17.4-170.9 -85.4 119.8 -4.5 15.6 44.5 59 59 A Y E - G 0 75A 7 16,-2.0 16,-3.2 -2,-0.7 3,-0.3 -0.914 9.6-150.9-108.5 134.0 -3.6 18.8 46.2 60 60 A D E + 0 0 65 -2,-0.5 14,-0.2 -19,-0.4 -19,-0.1 -0.718 63.7 7.9-109.4 160.5 -6.4 20.6 48.1 61 61 A Q E S+ 0 0 166 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.825 79.6 163.6 48.5 44.2 -7.2 24.2 49.0 62 62 A I E - G 0 73A 25 11,-2.8 11,-1.9 -3,-0.3 2,-0.4 -0.723 36.5-125.7 -91.2 141.9 -4.4 25.5 46.8 63 63 A L E + G 0 72A 92 -2,-0.3 -47,-0.5 9,-0.2 2,-0.4 -0.663 33.4 174.8 -84.4 137.3 -4.4 29.2 45.9 64 64 A I E -BG 15 71A 0 7,-2.8 7,-1.1 -2,-0.4 2,-0.6 -0.940 24.0-147.5-140.3 139.8 -4.2 29.9 42.2 65 65 A E E -BG 14 70A 62 -51,-3.0 -51,-2.4 -2,-0.4 2,-0.6 -0.848 15.3-165.7-106.8 130.8 -4.4 33.1 40.3 66 66 A I E > S-BG 13 69A 3 3,-2.9 3,-1.8 -2,-0.6 -53,-0.2 -0.960 73.0 -33.8-121.6 107.1 -6.0 32.8 36.9 67 67 A C T 3 S- 0 0 66 -55,-2.5 -1,-0.2 -2,-0.6 -54,-0.1 0.893 129.4 -43.7 41.1 57.4 -5.5 35.7 34.5 68 68 A G T 3 S+ 0 0 63 -56,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.347 116.4 114.1 74.5 1.0 -5.7 37.9 37.7 69 69 A H E < - G 0 66A 94 -3,-1.8 -3,-2.9 2,-0.0 2,-0.2 -0.839 60.0-136.5-101.9 121.3 -8.6 36.2 39.4 70 70 A K E + G 0 65A 148 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.550 27.2 170.9 -79.6 148.0 -7.9 34.4 42.6 71 71 A A E - G 0 64A 3 -7,-1.1 -7,-2.8 -2,-0.2 2,-0.4 -0.979 19.3-153.6-145.7 149.6 -9.4 31.0 43.2 72 72 A I E + G 0 63A 88 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.990 43.9 91.7-125.8 140.5 -8.8 28.4 45.9 73 73 A G E - G 0 62A 13 -11,-1.9 -11,-2.8 -2,-0.4 2,-0.4 -0.991 67.9 -25.6 171.9-168.6 -9.4 24.7 45.3 74 74 A T E - 0 0 41 -2,-0.3 -43,-0.5 -13,-0.2 2,-0.5 -0.537 46.1-173.4 -82.7 131.6 -8.3 21.3 44.3 75 75 A V E -dG 31 59A 0 -16,-3.2 -16,-2.0 -2,-0.4 2,-0.5 -0.920 9.4-154.4-124.4 120.3 -5.3 21.0 41.9 76 76 A L E -dG 32 58A 0 -45,-2.9 -43,-4.0 -2,-0.5 2,-0.5 -0.671 9.9-163.6 -97.0 137.5 -4.1 17.7 40.4 77 77 A V E +dG 33 57A 1 -20,-2.1 -20,-2.0 -2,-0.5 -43,-0.2 -0.924 33.3 88.9-117.1 130.2 -0.6 17.4 39.4 78 78 A G S S- 0 0 2 -45,-2.8 2,-3.4 -2,-0.5 -43,-0.3 -0.987 78.7 -21.8 176.3-167.3 0.8 14.7 37.1 79 79 A P S S+ 0 0 94 0, 0.0 -45,-0.1 0, 0.0 -2,-0.1 -0.206 72.9 140.8 -63.8 57.7 1.7 13.4 33.6 80 80 A T - 0 0 15 -2,-3.4 -45,-0.2 -47,-0.2 -2,-0.1 -0.781 49.4-142.9 -94.3 146.1 -0.7 15.7 31.7 81 81 A P S S+ 0 0 118 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.565 84.3 36.7 -84.1 -1.0 0.8 17.0 28.4 82 82 A V S S- 0 0 46 -50,-0.1 2,-0.4 -59,-0.0 -60,-0.1 -0.974 86.9-112.1-146.8 140.3 -1.0 20.4 28.9 83 83 A N - 0 0 15 -2,-0.3 -60,-2.2 -62,-0.3 2,-0.4 -0.634 43.6-166.5 -69.1 126.8 -1.7 22.6 31.9 84 84 A I E -cE 23 32A 25 -52,-2.4 -52,-2.1 -2,-0.4 2,-0.5 -0.998 20.3-156.4-121.2 123.0 -5.6 22.5 32.2 85 85 A I E -c 24 0A 0 -62,-2.6 -60,-2.5 -2,-0.4 -57,-0.2 -0.885 28.3-162.4 -91.8 117.0 -8.0 24.7 34.2 86 86 A G >> - 0 0 0 -2,-0.5 3,-2.7 -62,-0.1 4,-2.3 -0.462 34.8 -87.3-104.4 175.5 -11.2 22.7 34.8 87 87 A R H 3> S+ 0 0 119 -59,-3.1 4,-2.3 -62,-0.4 5,-0.4 0.757 116.7 71.0 -51.9 -34.1 -14.7 23.5 35.9 88 88 A N H 34 S+ 0 0 45 -59,-1.5 4,-0.4 1,-0.2 -1,-0.3 0.810 116.2 24.3 -60.5 -26.5 -13.9 23.3 39.6 89 89 A L H <> S+ 0 0 0 -3,-2.7 4,-2.0 2,-0.1 -2,-0.2 0.758 113.7 67.0-102.4 -26.9 -11.9 26.6 39.2 90 90 A L H <>S+ 0 0 6 -4,-2.3 5,-2.6 1,-0.2 -2,-0.2 0.840 101.9 50.4 -59.1 -36.5 -13.7 28.0 36.1 91 91 A T T ><5S+ 0 0 95 -4,-2.3 3,-2.8 1,-0.2 -1,-0.2 0.918 106.3 55.2 -68.0 -42.6 -16.8 28.4 38.2 92 92 A Q T 345S+ 0 0 95 -4,-0.4 -2,-0.2 -5,-0.4 -1,-0.2 0.873 106.3 50.3 -63.1 -28.6 -15.0 30.2 40.9 93 93 A I T 3<5S- 0 0 28 -4,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.415 118.8-112.0 -89.4 19.7 -13.6 32.7 38.6 94 94 A G T < 5 + 0 0 60 -3,-2.8 2,-0.2 1,-0.2 -3,-0.2 0.705 57.7 166.7 66.0 22.7 -17.2 33.4 37.2 95 95 A C < + 0 0 58 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.2 -0.567 8.2 176.9 -76.0 138.2 -16.4 31.9 33.8 96 96 A T - 0 0 112 -2,-0.2 2,-0.4 2,-0.0 -70,-0.0 -0.930 28.1-124.5-138.5 161.0 -19.2 31.0 31.3 97 97 A L - 0 0 117 -2,-0.3 2,-0.4 -71,-0.0 -2,-0.0 -0.859 28.5-171.6 -98.7 133.3 -19.9 29.7 27.8 98 98 A N 0 0 133 -2,-0.4 -2,-0.0 0, 0.0 0, 0.0 -0.997 360.0 360.0-136.6 133.9 -22.0 31.9 25.4 99 99 A F 0 0 270 -2,-0.4 -2,-0.0 0, 0.0 0, 0.0 -0.842 360.0 360.0-151.1 360.0 -23.5 31.1 21.9