==== 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 13-JUN-06 2HB4 . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR H.HEASLET,K.TAM,J.H.ELDER,C.D.STOUT . 99 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6786.0 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 . 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 . 15 15.2 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 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 1 0 0 0 1 0 2 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 0 127 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-178.4 -9.9 2.5 19.6 2 2 A Q - 0 0 177 2,-0.0 2,-0.5 0, 0.0 0, 0.0 -0.982 360.0-162.9-119.7 121.4 -9.7 1.7 23.4 3 3 A I - 0 0 74 -2,-0.5 2,-0.1 6,-0.0 0, 0.0 -0.903 4.3-155.7-114.9 117.0 -8.1 -1.6 24.4 4 4 A T - 0 0 94 -2,-0.5 3,-0.2 1,-0.1 -2,-0.0 -0.410 16.3-134.4 -82.4 171.1 -8.4 -3.2 27.8 5 5 A L S S+ 0 0 122 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.090 71.5 108.0-126.2 18.1 -5.8 -5.6 28.9 6 6 A W S S+ 0 0 243 2,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.718 92.1 29.6 -64.3 -22.9 -7.6 -8.6 30.4 7 7 A K S S- 0 0 177 -3,-0.2 0, 0.0 3,-0.0 0, 0.0 -0.839 112.4 -75.8-129.4 157.3 -6.6 -10.6 27.4 8 8 A R - 0 0 143 -2,-0.3 2,-1.8 1,-0.1 -2,-0.1 -0.410 49.7-117.9 -54.8 132.6 -3.4 -10.2 25.2 9 9 A P + 0 0 22 0, 0.0 15,-2.9 0, 0.0 2,-0.5 -0.555 48.2 168.0 -82.8 77.2 -3.9 -7.1 23.0 10 10 A L E +A 23 0A 54 -2,-1.8 2,-0.3 13,-0.2 13,-0.2 -0.811 7.1 177.2 -90.0 123.1 -3.8 -8.9 19.6 11 11 A V E -A 22 0A 13 11,-2.6 11,-2.8 -2,-0.5 2,-0.5 -0.843 33.6-102.8-117.6 162.3 -4.9 -6.8 16.7 12 12 A T E -A 21 0A 85 -2,-0.3 55,-1.8 9,-0.2 2,-0.3 -0.771 37.2-169.8 -83.1 128.5 -5.0 -7.4 12.9 13 13 A I E -AB 20 66A 1 7,-2.7 7,-1.8 -2,-0.5 2,-0.5 -0.870 14.3-144.2-111.4 155.8 -2.3 -5.8 10.9 14 14 A K E +AB 19 65A 103 51,-2.4 51,-2.1 -2,-0.3 2,-0.4 -0.977 29.7 163.1-118.9 118.6 -2.0 -5.5 7.1 15 15 A I E > -A 18 0A 0 3,-3.0 3,-1.5 -2,-0.5 49,-0.1 -0.922 61.4 -14.2-146.6 121.2 1.4 -5.8 5.8 16 16 A G T 3 S- 0 0 55 47,-0.5 21,-0.1 -2,-0.4 -1,-0.1 0.907 129.5 -47.8 63.1 47.3 2.8 -6.4 2.3 17 17 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.3 -3,-0.0 2,-0.1 -0.243 118.3 107.2 91.3 -37.6 -0.6 -7.6 1.1 18 18 A Q E < -A 15 0A 79 -3,-1.5 -3,-3.0 -4,-0.1 2,-0.4 -0.401 62.6-135.0 -98.5 144.6 -1.2 -9.9 4.0 19 19 A L E +A 14 0A 120 -5,-0.2 2,-0.3 -2,-0.1 -5,-0.2 -0.776 33.7 168.1 -87.6 139.0 -3.4 -10.1 7.2 20 20 A K E -A 13 0A 24 -7,-1.8 -7,-2.7 -2,-0.4 2,-0.4 -0.967 34.7-121.1-147.9 152.9 -1.6 -11.1 10.3 21 21 A E E +A 12 0A 125 -2,-0.3 2,-0.3 -9,-0.2 62,-0.2 -0.850 38.9 178.9 -94.6 135.0 -2.4 -11.1 14.0 22 22 A A E -A 11 0A 1 -11,-2.8 -11,-2.6 -2,-0.4 2,-0.5 -1.000 28.0-116.6-143.8 147.4 0.1 -9.1 16.2 23 23 A L E -Ac 10 84A 25 60,-3.5 62,-2.9 -2,-0.3 2,-0.9 -0.691 17.8-137.7 -78.3 119.4 0.7 -8.1 19.8 24 24 A L E - c 0 85A 28 -15,-2.9 2,-0.7 -2,-0.5 62,-0.1 -0.643 35.6-178.6 -71.2 100.0 0.6 -4.4 20.9 25 25 A D > - 0 0 43 60,-2.2 3,-1.7 -2,-0.9 62,-0.3 -0.830 27.0-179.4-123.4 96.3 3.6 -4.5 23.2 26 26 A T T 3 S+ 0 0 70 -2,-0.7 -1,-0.1 1,-0.3 60,-0.1 0.570 84.9 63.7 -74.3 -6.3 4.7 -1.4 25.1 27 27 A G T 3 S+ 0 0 69 59,-0.0 2,-0.5 60,-0.0 -1,-0.3 0.434 88.9 84.8 -89.8 -0.1 7.6 -3.3 26.5 28 28 A A < - 0 0 19 -3,-1.7 59,-2.8 57,-0.2 60,-0.1 -0.884 58.8-163.7-105.8 128.8 9.2 -3.8 23.1 29 29 A D S S+ 0 0 98 -2,-0.5 59,-1.2 57,-0.2 2,-0.2 0.875 76.7 37.0 -68.5 -38.3 11.4 -1.2 21.6 30 30 A D S S- 0 0 73 57,-0.2 2,-0.5 56,-0.1 57,-0.1 -0.608 79.2-113.5-126.3 163.3 11.0 -2.7 18.1 31 31 A T - 0 0 0 43,-0.4 45,-2.3 -2,-0.2 2,-0.4 -0.890 30.5-176.7-103.1 126.6 8.6 -4.5 15.8 32 32 A V E -dE 76 84A 11 52,-2.0 52,-2.9 -2,-0.5 2,-0.3 -0.999 1.6-174.9-130.6 132.1 9.3 -8.1 14.9 33 33 A L E -d 77 0A 0 43,-2.2 45,-2.0 -2,-0.4 47,-0.2 -0.934 29.5-100.2-129.5 139.3 7.1 -10.2 12.5 34 34 A E - 0 0 86 -2,-0.3 -1,-0.1 43,-0.2 48,-0.0 0.059 69.1 -52.8 -49.7 165.9 7.2 -13.9 11.5 35 35 A E S S+ 0 0 110 43,-0.2 2,-0.3 42,-0.1 -1,-0.2 -0.250 76.9 146.1 -51.9 127.9 8.8 -14.9 8.2 36 36 A M - 0 0 8 -3,-0.2 2,-0.7 2,-0.0 -20,-0.1 -0.973 50.8-100.6-158.0 164.7 7.4 -13.0 5.2 37 37 A N + 0 0 146 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.798 38.8 174.5 -91.4 111.3 8.4 -11.5 1.8 38 38 A L - 0 0 11 -2,-0.7 -2,-0.0 1,-0.2 39,-0.0 -0.941 25.2-133.2-115.6 151.4 9.0 -7.8 2.0 39 39 A P + 0 0 110 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.956 63.8 45.9 -65.5 -83.8 10.3 -6.1 -1.1 40 40 A G S S- 0 0 49 1,-0.1 2,-0.2 20,-0.1 -2,-0.1 0.850 93.1 -34.7 -65.6-133.2 13.2 -3.8 -0.8 41 41 A R - 0 0 233 19,-0.1 19,-0.5 2,-0.0 2,-0.3 -0.618 55.3-179.0 -89.4 147.7 16.6 -3.6 0.9 42 42 A W E -F 59 0A 135 -2,-0.2 17,-0.2 17,-0.1 15,-0.0 -0.942 17.2-153.3-135.3 161.4 17.4 -5.2 4.3 43 43 A K E -F 58 0A 118 15,-1.7 15,-4.2 -2,-0.3 2,-0.2 -0.973 30.2-107.7-125.4 151.8 20.2 -5.7 6.8 44 44 A P E -F 57 0A 82 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.494 36.7-178.8 -70.3 143.2 20.7 -8.6 9.4 45 45 A K E -F 56 0A 76 11,-3.0 11,-3.1 -2,-0.2 2,-0.4 -0.993 21.9-134.3-138.5 147.3 20.2 -7.8 13.1 46 46 A M E +F 55 0A 97 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.876 28.7 174.5 -95.9 136.7 20.5 -9.9 16.3 47 47 A I E -F 54 0A 29 7,-2.0 7,-2.9 -2,-0.4 2,-0.1 -0.961 28.8-102.0-142.6 158.7 17.7 -9.7 18.9 48 48 A G E +F 53 0A 52 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.373 40.0 156.6 -86.4 151.2 17.0 -11.6 22.2 49 49 A G E > -F 52 0A 47 3,-1.5 3,-1.4 -2,-0.1 31,-0.0 -0.932 58.0 -80.8-150.3-173.5 14.5 -14.4 22.9 50 50 A I T 3 S+ 0 0 181 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.737 127.2 46.9 -61.6 -26.5 14.0 -17.2 25.4 51 51 A G T 3 S- 0 0 85 1,-0.4 2,-0.3 0, 0.0 -1,-0.3 0.672 124.9 -89.9 -80.9 -15.6 16.6 -19.4 23.6 52 52 A G E < S-F 49 0A 36 -3,-1.4 -3,-1.5 -5,-0.0 2,-0.4 -0.954 77.9 -15.3 123.4-162.7 19.3 -16.8 23.3 53 53 A F E -F 48 0A 152 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.740 57.3-160.5 -90.2 128.2 19.8 -14.3 20.3 54 54 A I E -F 47 0A 51 -7,-2.9 -7,-2.0 -2,-0.4 2,-0.4 -0.832 18.5-124.0 -99.6 143.7 18.1 -14.8 16.9 55 55 A K E +F 46 0A 135 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.727 36.2 175.3 -83.6 133.3 19.2 -13.3 13.6 56 56 A V E -F 45 0A 3 -11,-3.1 -11,-3.0 -2,-0.4 2,-0.5 -0.892 31.2-111.0-127.7 164.4 16.4 -11.3 11.9 57 57 A R E -FG 44 77A 44 20,-3.0 20,-2.1 -2,-0.3 2,-0.6 -0.900 24.7-144.5 -98.6 125.1 16.2 -9.1 8.8 58 58 A Q E -FG 43 76A 32 -15,-4.2 -15,-1.7 -2,-0.5 2,-0.4 -0.785 17.7-179.4 -89.0 116.7 15.8 -5.3 9.2 59 59 A Y E -FG 42 75A 9 16,-2.4 16,-2.1 -2,-0.6 3,-0.3 -0.962 14.6-154.9-111.0 131.0 13.6 -3.5 6.5 60 60 A D E + 0 0 78 -19,-0.5 14,-0.2 -2,-0.4 -19,-0.1 -0.702 67.5 23.6-107.9 160.8 13.3 0.3 7.1 61 61 A Q E S+ 0 0 162 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.816 79.2 163.3 57.5 38.5 10.5 2.5 5.9 62 62 A I E - G 0 73A 19 11,-2.4 11,-2.2 -3,-0.3 2,-0.5 -0.715 36.4-128.4 -90.5 137.9 7.8 -0.3 5.6 63 63 A L E + G 0 72A 91 -2,-0.4 -47,-0.5 9,-0.2 2,-0.3 -0.728 33.7 171.2 -84.9 124.6 4.1 0.6 5.4 64 64 A I E - G 0 71A 0 7,-2.2 7,-2.8 -2,-0.5 2,-0.4 -0.966 24.3-145.8-131.4 143.9 2.0 -1.3 7.9 65 65 A E E -BG 14 70A 63 -51,-2.1 -51,-2.4 -2,-0.3 2,-0.5 -0.976 14.4-171.8-108.2 131.6 -1.7 -0.8 8.7 66 66 A I E > S-BG 13 69A 3 3,-3.6 3,-0.7 -2,-0.4 -53,-0.2 -0.937 72.9 -27.9-127.9 107.4 -2.7 -1.5 12.4 67 67 A C T 3 S- 0 0 57 -55,-1.8 -1,-0.1 -2,-0.5 -54,-0.1 0.941 128.7 -45.2 43.1 55.0 -6.5 -1.5 13.1 68 68 A G T 3 S+ 0 0 55 -56,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.569 117.0 115.1 79.6 10.2 -7.1 0.8 10.2 69 69 A H E < - G 0 66A 87 -3,-0.7 -3,-3.6 2,-0.0 2,-0.3 -0.976 57.0-143.8-121.1 126.3 -4.2 3.2 11.1 70 70 A K E + G 0 65A 137 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.2 -0.652 23.7 172.4 -95.6 141.8 -1.4 3.4 8.6 71 71 A A E - G 0 64A 6 -7,-2.8 -7,-2.2 -2,-0.3 2,-0.4 -0.952 23.1-144.0-141.0 160.3 2.2 3.8 9.9 72 72 A I E + G 0 63A 69 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.991 44.8 111.6-122.4 139.0 5.7 3.7 8.3 73 73 A G E - G 0 62A 12 -11,-2.2 -11,-2.4 -2,-0.4 2,-0.3 -0.989 63.8 -53.3 179.6-179.4 8.6 2.3 10.2 74 74 A T E - 0 0 42 -2,-0.3 2,-0.4 -13,-0.2 -43,-0.4 -0.565 43.2-170.7 -73.5 133.0 11.2 -0.4 10.6 75 75 A V E - G 0 59A 0 -16,-2.1 -16,-2.4 -2,-0.3 2,-0.3 -0.997 11.5-148.2-125.7 132.4 10.0 -4.0 10.7 76 76 A L E -dG 32 58A 5 -45,-2.3 -43,-2.2 -2,-0.4 2,-0.4 -0.786 13.9-157.3 -95.8 138.7 12.3 -6.9 11.7 77 77 A V E +dG 33 57A 0 -20,-2.1 -20,-3.0 -2,-0.3 -43,-0.2 -0.988 36.4 91.8-125.0 123.7 11.5 -10.2 10.0 78 78 A G S S- 0 0 1 -45,-2.0 2,-2.1 -2,-0.4 -43,-0.2 -0.991 81.4 -39.7 176.8-170.1 12.6 -13.6 11.4 79 79 A P + 0 0 89 0, 0.0 -45,-0.1 0, 0.0 -23,-0.1 -0.125 69.1 152.6 -78.1 48.5 11.8 -16.6 13.5 80 80 A T - 0 0 21 -2,-2.1 -45,-0.1 -47,-0.2 -2,-0.1 -0.597 45.6-139.0 -70.0 137.4 10.0 -14.8 16.4 81 81 A P S S+ 0 0 121 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.727 88.7 34.8 -63.1 -30.2 7.4 -16.9 18.4 82 82 A V S S- 0 0 49 -59,-0.0 2,-0.6 -49,-0.0 -60,-0.1 -0.984 82.4-122.5-136.6 135.3 5.1 -13.9 18.5 83 83 A N - 0 0 13 -2,-0.4 -60,-3.5 -62,-0.2 2,-0.5 -0.782 39.6-166.3 -76.6 117.1 4.3 -11.0 16.1 84 84 A I E -cE 23 32A 21 -52,-2.9 -52,-2.0 -2,-0.6 2,-0.8 -0.951 21.5-157.5-120.5 119.1 5.1 -8.0 18.2 85 85 A I E -c 24 0A 0 -62,-2.9 -60,-2.2 -2,-0.5 -57,-0.2 -0.850 29.5-167.9 -81.7 107.1 4.2 -4.4 17.4 86 86 A G >> - 0 0 0 -2,-0.8 4,-1.8 -62,-0.1 3,-1.3 -0.153 37.2 -83.8 -93.7-169.9 6.7 -2.4 19.4 87 87 A R H 3> S+ 0 0 115 -59,-2.8 4,-2.1 -62,-0.3 5,-0.3 0.743 116.6 72.2 -69.7 -23.0 7.0 1.3 20.4 88 88 A N H 34 S+ 0 0 38 -59,-1.2 4,-0.3 1,-0.2 -1,-0.3 0.804 113.8 28.6 -64.3 -27.0 8.6 2.4 17.1 89 89 A L H <> S+ 0 0 0 -3,-1.3 4,-1.4 2,-0.1 -1,-0.2 0.697 112.4 64.0 -98.8 -27.2 5.3 1.8 15.4 90 90 A L H <>S+ 0 0 8 -4,-1.8 5,-2.7 1,-0.2 4,-0.3 0.873 103.0 50.6 -66.8 -35.3 3.0 2.5 18.3 91 91 A T T ><5S+ 0 0 87 -4,-2.1 3,-1.0 3,-0.2 -1,-0.2 0.880 105.4 58.1 -64.8 -33.9 4.2 6.1 18.4 92 92 A Q T 345S+ 0 0 113 -4,-0.3 -2,-0.2 -5,-0.3 -1,-0.2 0.823 109.1 42.7 -66.3 -36.9 3.5 6.3 14.7 93 93 A I T 3<5S- 0 0 36 -4,-1.4 -1,-0.3 -3,-0.1 -2,-0.2 0.361 117.4-111.9 -87.6 2.0 -0.2 5.5 15.2 94 94 A G T < 5 + 0 0 57 -3,-1.0 2,-0.3 -4,-0.3 -3,-0.2 0.800 54.0 172.0 69.1 33.1 -0.5 7.8 18.2 95 95 A C < + 0 0 55 -5,-2.7 2,-0.3 -6,-0.1 -1,-0.2 -0.563 5.0 178.5 -78.8 128.0 -1.0 5.0 20.7 96 96 A T - 0 0 99 -2,-0.3 2,-0.4 2,-0.0 -5,-0.0 -0.923 30.5-122.6-119.7 157.9 -0.9 5.9 24.4 97 97 A L - 0 0 116 -2,-0.3 2,-0.4 -71,-0.0 -2,-0.0 -0.845 36.3-166.6 -86.2 136.1 -1.3 4.1 27.7 98 98 A N 0 0 125 -2,-0.4 -2,-0.0 0, 0.0 0, 0.0 -0.993 360.0 360.0-133.9 130.8 -4.2 5.6 29.8 99 99 A F 0 0 275 -2,-0.4 -2,-0.0 0, 0.0 0, 0.0 -0.990 360.0 360.0-151.3 360.0 -5.3 5.3 33.4