==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-OCT-02 1IZI . COMPND 2 MOLECULE: PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.WEBER,J.R.MESTERS,M.LEPSIK,J.PREJDOVA,M.SVEC,J.SPONAROVA, . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9350.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 36.4 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 . 6 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 26 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 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 . 2 2 3 0 0 2 2 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 1 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 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 83 0, 0.0 198,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 173.4 -12.4 38.4 2.2 2 2 A Q E -A 198 0A 126 196,-0.2 2,-0.5 197,-0.1 196,-0.2 -0.984 360.0-161.4-116.0 128.5 -13.9 36.7 -0.7 3 3 A I E -A 197 0A 34 194,-2.8 194,-2.9 -2,-0.5 2,-0.1 -0.977 4.0-151.1-115.4 118.5 -11.7 34.0 -2.2 4 4 A T - 0 0 68 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.325 14.9-131.8 -80.2 171.8 -12.3 32.8 -5.8 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.3 1,-0.1 185,-0.1 0.188 78.0 102.8-119.1 18.2 -11.4 29.3 -6.8 6 6 A W S S+ 0 0 162 185,-0.1 2,-0.3 184,-0.1 -1,-0.1 0.776 95.0 31.9 -70.3 -27.4 -9.4 29.8 -10.0 7 7 A Q S S- 0 0 153 -3,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.852 113.2 -78.2-117.5 165.0 -6.3 29.3 -7.9 8 8 A R - 0 0 119 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.404 48.2-116.0 -57.1 135.8 -5.9 27.0 -4.9 9 9 A P + 0 0 2 0, 0.0 15,-2.9 0, 0.0 2,-0.3 -0.500 52.1 169.5 -77.5 68.4 -7.4 28.8 -1.9 10 10 A L E -D 23 0B 78 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.660 8.7-178.8 -83.0 134.8 -4.1 29.1 -0.0 11 11 A V E -D 22 0B 7 11,-3.4 11,-2.6 -2,-0.3 2,-0.4 -0.938 29.6-112.0-131.3 156.2 -3.9 31.3 3.1 12 12 A T E -D 21 0B 84 -2,-0.3 55,-2.3 9,-0.2 2,-0.3 -0.702 36.8-173.9 -85.1 135.1 -1.1 32.2 5.4 13 13 A I E -DE 20 66B 2 7,-2.8 7,-3.0 -2,-0.4 2,-0.5 -0.920 18.7-146.6-125.0 156.8 -1.5 30.8 9.0 14 14 A K E +DE 19 65B 95 51,-2.0 51,-2.7 -2,-0.3 2,-0.3 -0.999 31.4 157.4-122.9 122.7 0.5 31.3 12.2 15 15 A I E > +DE 18 64B 2 3,-2.7 3,-2.4 -2,-0.5 49,-0.1 -0.982 64.1 2.2-151.6 137.3 0.7 28.3 14.5 16 16 A G T 3 S- 0 0 40 47,-0.6 3,-0.1 -2,-0.3 21,-0.1 0.787 129.6 -61.3 54.6 30.2 3.1 27.3 17.2 17 17 A G T 3 S+ 0 0 60 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.337 115.9 115.9 78.1 0.8 4.8 30.6 16.5 18 18 A Q E < -D 15 0B 87 -3,-2.4 -3,-2.7 1,-0.0 2,-0.5 -0.724 63.4-130.0-105.9 148.8 5.5 29.5 12.9 19 19 A L E +D 14 0B 125 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.820 36.8 162.2 -95.0 128.3 4.3 30.9 9.6 20 20 A K E -D 13 0B 45 -7,-3.0 -7,-2.8 -2,-0.5 2,-0.4 -0.904 34.9-125.2-138.4 167.7 2.8 28.4 7.2 21 21 A E E +D 12 0B 120 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.924 32.9 177.4-111.6 143.8 0.6 28.3 4.1 22 22 A A E -D 11 0B 1 -11,-2.6 -11,-3.4 -2,-0.4 2,-0.4 -0.989 28.8-114.9-148.8 152.2 -2.5 26.2 4.1 23 23 A L E -Df 10 84B 4 60,-2.2 62,-3.1 -2,-0.3 2,-0.9 -0.731 23.6-128.8 -90.0 128.6 -5.4 25.4 1.8 24 24 A L E - f 0 85B 0 -15,-2.9 2,-0.6 -2,-0.4 62,-0.1 -0.738 38.0-173.1 -78.5 111.2 -8.9 26.3 2.8 25 25 A D > - 0 0 18 60,-2.4 3,-2.0 -2,-0.9 62,-0.3 -0.830 27.4-178.5-121.8 93.2 -10.5 23.0 2.3 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.684 85.9 64.5 -63.9 -18.0 -14.3 22.5 2.5 27 27 A G T 3 S+ 0 0 21 96,-0.1 2,-0.5 81,-0.1 -1,-0.3 0.340 87.0 82.6 -80.8 -3.1 -13.8 18.8 1.8 28 28 A A < - 0 0 16 -3,-2.0 59,-3.3 57,-0.2 60,-0.2 -0.937 56.4-166.5-107.8 118.7 -11.8 18.2 5.0 29 29 A D S S+ 0 0 49 -2,-0.5 59,-1.7 57,-0.2 2,-0.2 0.866 80.2 41.6 -65.7 -35.4 -13.7 17.7 8.2 30 30 A D S S- 0 0 68 57,-0.2 2,-0.6 56,-0.1 57,-0.1 -0.626 83.1-114.1-113.2 163.7 -10.3 18.2 9.9 31 31 A T - 0 0 0 43,-0.3 45,-2.6 54,-0.2 2,-0.5 -0.905 35.1-175.8 -98.7 120.5 -7.3 20.4 9.9 32 32 A V E -gH 76 84B 7 52,-1.6 52,-2.9 -2,-0.6 2,-0.3 -0.981 2.4-177.3-127.1 125.3 -4.2 18.5 8.9 33 33 A L E -g 77 0B 0 43,-2.7 45,-2.2 -2,-0.5 47,-0.3 -0.903 29.5-105.1-121.0 147.5 -0.6 19.9 8.8 34 34 A E - 0 0 36 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 0.014 69.0 -46.9 -59.7 168.8 2.7 18.5 7.9 35 35 A E S S+ 0 0 119 43,-0.2 2,-0.3 45,-0.1 -1,-0.2 -0.070 77.0 133.3 -41.7 129.3 5.2 17.5 10.5 36 36 A M - 0 0 13 -3,-0.2 2,-0.3 2,-0.0 -3,-0.1 -0.939 51.1-108.4-170.2 159.4 5.8 20.0 13.3 37 37 A N - 0 0 127 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.670 33.4-163.7 -93.8 153.1 6.1 20.0 17.1 38 38 A L - 0 0 3 -2,-0.3 -2,-0.0 2,-0.2 24,-0.0 -0.994 27.6-101.6-144.1 136.1 3.4 21.5 19.2 39 39 A P S S+ 0 0 101 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.275 84.4 13.8 -45.1 129.2 3.0 22.7 22.8 40 40 A G S S- 0 0 68 19,-0.1 -2,-0.2 2,-0.0 2,-0.1 -0.398 89.6 -43.2 110.4-173.6 1.2 20.0 24.7 41 41 A R - 0 0 62 -2,-0.1 19,-0.4 19,-0.1 2,-0.3 -0.419 46.8-176.0 -91.9 169.4 -0.1 16.4 24.8 42 42 A W - 0 0 134 17,-0.1 17,-0.2 -2,-0.1 15,-0.1 -0.945 20.6-133.7-155.6 171.1 -1.8 14.4 22.0 43 43 A K E -I 58 0B 32 15,-1.3 15,-2.2 -2,-0.3 13,-0.0 -0.972 34.1-109.2-129.1 144.7 -3.5 11.1 21.2 44 44 A P E +I 57 0B 113 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.335 43.3 168.9 -70.4 160.6 -2.7 9.0 18.0 45 45 A K E -I 56 0B 33 11,-1.4 11,-2.9 2,-0.0 2,-0.4 -0.961 27.2-131.3-163.6 162.9 -5.4 8.8 15.2 46 46 A M E -I 55 0B 119 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.958 21.4-175.3-123.0 143.0 -5.9 7.7 11.6 47 47 A I E -I 54 0B 23 7,-2.2 7,-2.9 -2,-0.4 2,-0.3 -0.985 6.5-153.5-138.1 151.6 -7.5 9.7 8.8 48 48 A G E +I 53 0B 44 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.787 21.7 145.9-122.0 161.7 -8.4 8.9 5.3 49 49 A G E > -I 52 0B 27 3,-2.1 3,-1.3 -2,-0.3 2,-0.2 -0.810 66.4 -26.2-157.2-150.7 -8.9 10.5 1.9 50 50 A I T 3 S+ 0 0 26 -2,-0.3 101,-1.6 1,-0.2 102,-0.6 -0.537 131.8 26.8 -69.0 136.0 -8.4 9.7 -1.6 51 51 A G T 3 S- 0 0 28 100,-0.2 2,-0.4 -2,-0.2 102,-0.3 0.079 119.6 -83.7 99.5 -27.3 -5.6 7.2 -1.6 52 52 A G E < -I 49 0B 24 -3,-1.3 -3,-2.1 100,-0.2 99,-0.4 -0.959 62.9 -29.2 134.1-150.9 -6.0 5.8 1.8 53 53 A F E -I 48 0B 150 -2,-0.4 2,-0.3 98,-0.3 -5,-0.3 -0.768 35.4-168.4-117.4 150.4 -5.1 6.4 5.4 54 54 A I E -I 47 0B 21 -7,-2.9 -7,-2.2 -2,-0.3 2,-0.4 -0.970 25.5-120.2-132.8 155.5 -2.4 8.1 7.4 55 55 A K E +I 46 0B 42 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.746 38.3 178.0 -85.9 135.6 -1.5 8.1 11.1 56 56 A V E -I 45 0B 5 -11,-2.9 -11,-1.4 -2,-0.4 2,-0.5 -0.948 30.8-119.8-132.9 162.4 -1.5 11.6 12.6 57 57 A R E -IJ 44 77B 47 20,-3.2 20,-2.7 -2,-0.3 2,-0.6 -0.897 28.9-145.3-104.2 131.8 -1.0 13.1 16.0 58 58 A Q E -IJ 43 76B 65 -15,-2.2 -15,-1.3 -2,-0.5 2,-0.5 -0.869 16.0-174.1-103.2 120.8 -4.0 14.9 17.3 59 59 A Y E - J 0 75B 4 16,-2.4 16,-2.6 -2,-0.6 3,-0.4 -0.947 10.2-150.6-118.3 129.5 -3.5 18.0 19.4 60 60 A D E + 0 0 72 -2,-0.5 14,-0.2 -19,-0.4 -19,-0.1 -0.534 69.0 18.3 -99.5 157.1 -6.4 19.9 21.1 61 61 A Q E S+ 0 0 164 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.883 77.3 160.7 55.7 43.9 -6.9 23.5 22.0 62 62 A I E - J 0 73B 15 11,-2.4 11,-2.7 -3,-0.4 2,-0.4 -0.791 36.2-129.2 -94.4 142.1 -4.2 24.8 19.6 63 63 A L E + J 0 72B 76 -2,-0.4 -47,-0.6 9,-0.2 2,-0.4 -0.712 28.9 178.7 -91.4 139.2 -4.3 28.4 18.7 64 64 A I E -EJ 15 71B 0 7,-2.9 7,-2.4 -2,-0.4 2,-0.7 -0.999 23.6-149.4-143.0 131.7 -4.1 29.3 15.0 65 65 A E E -EJ 14 70B 58 -51,-2.7 -51,-2.0 -2,-0.4 2,-0.6 -0.946 19.5-171.6-100.1 113.4 -4.2 32.6 13.3 66 66 A I E > S-EJ 13 69B 0 3,-3.1 3,-2.8 -2,-0.7 -53,-0.2 -0.967 76.5 -26.2-111.1 115.3 -5.8 32.0 9.8 67 67 A C T 3 S- 0 0 64 -55,-2.3 -1,-0.2 -2,-0.6 -54,-0.1 0.822 127.9 -50.9 45.3 38.6 -5.6 35.1 7.7 68 68 A G T 3 S+ 0 0 66 1,-0.3 2,-0.5 -56,-0.2 -1,-0.3 0.473 112.7 117.8 84.2 -0.8 -5.5 37.1 10.9 69 69 A H E < - 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