==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-MAR-04 1SP5 . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR E.VONDRACKOVA,J.HASEK,M.JASKOLSKI,P.REZACOVA,J.DOHNALEK, . 203 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9653.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 36.0 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 . 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 . 24 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 3.0 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 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 RESIDUES PER ALPHA HELIX . 0 4 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 . 3 3 2 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 1 1 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 77 0, 0.0 198,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 175.7 21.1 37.7 -10.3 2 2 A Q E -A 198 0A 127 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.994 360.0-163.3-118.3 124.5 20.5 39.1 -6.8 3 3 A I E -A 197 0A 31 194,-3.1 194,-2.3 -2,-0.5 2,-0.1 -0.948 3.5-154.5-117.7 123.1 17.4 37.8 -5.1 4 4 A T - 0 0 70 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.389 16.9-129.6 -85.3 172.4 15.9 39.5 -2.1 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.130 74.0 107.9-116.6 23.4 13.7 37.6 0.4 6 6 A W S S+ 0 0 151 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.833 94.0 29.2 -67.6 -29.0 10.5 39.6 0.8 7 7 A Q S S- 0 0 143 -3,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.796 112.2 -75.5-121.6 165.8 8.8 36.8 -1.2 8 8 A R - 0 0 127 -2,-0.3 2,-2.3 1,-0.1 119,-0.1 -0.398 47.2-119.0 -60.3 134.1 9.7 33.1 -1.5 9 9 A P + 0 0 4 0, 0.0 15,-2.7 0, 0.0 2,-0.4 -0.456 52.2 163.8 -77.8 72.3 12.8 32.7 -3.7 10 10 A L E +D 23 0B 77 -2,-2.3 2,-0.3 13,-0.2 13,-0.2 -0.786 8.7 174.0 -92.1 128.7 11.0 30.6 -6.3 11 11 A V E -D 22 0B 16 11,-3.0 11,-2.6 -2,-0.4 2,-0.4 -0.812 34.6 -99.5-128.2 171.2 12.7 30.3 -9.7 12 12 A T E -D 21 0B 64 -2,-0.3 55,-2.2 9,-0.2 2,-0.3 -0.769 38.6-176.9 -92.5 136.3 12.1 28.3 -12.9 13 13 A I E -DE 20 66B 2 7,-2.9 7,-2.2 -2,-0.4 2,-0.4 -0.859 16.3-142.3-123.5 162.5 14.2 25.1 -13.3 14 14 A K E +DE 19 65B 89 51,-2.2 51,-2.5 -2,-0.3 2,-0.4 -0.993 25.7 163.3-129.7 125.8 14.3 22.7 -16.3 15 15 A I E > S-DE 18 64B 2 3,-2.3 3,-2.4 -2,-0.4 49,-0.1 -0.994 70.4 -2.0-143.3 133.1 14.6 19.0 -15.8 16 16 A G T 3 S- 0 0 64 47,-0.5 3,-0.1 -2,-0.4 -1,-0.1 0.849 130.1 -58.6 56.9 34.2 13.9 16.3 -18.3 17 17 A G T 3 S+ 0 0 70 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.460 114.6 115.3 77.3 0.2 12.8 18.9 -20.8 18 18 A Q E < -D 15 0B 89 -3,-2.4 -3,-2.3 2,-0.0 2,-0.3 -0.828 61.7-133.6-107.5 143.9 10.1 20.2 -18.4 19 19 A L E +D 14 0B 124 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.724 32.2 169.8 -89.8 141.0 9.9 23.6 -16.7 20 20 A K E -D 13 0B 40 -7,-2.2 -7,-2.9 -2,-0.3 2,-0.4 -0.962 33.4-118.4-144.5 158.6 9.0 23.5 -13.0 21 21 A E E +D 12 0B 102 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.835 38.0 177.1 -98.7 140.7 9.0 26.1 -10.2 22 22 A A E -D 11 0B 0 -11,-2.6 -11,-3.0 -2,-0.4 2,-0.5 -0.991 28.5-117.2-146.3 153.5 11.4 25.5 -7.3 23 23 A L E -Df 10 84B 10 60,-3.2 62,-2.9 -2,-0.3 2,-0.9 -0.784 19.7-133.5 -95.2 123.6 12.5 27.1 -4.1 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.5 62,-0.1 -0.650 36.1-173.3 -73.7 111.0 16.2 28.2 -3.6 25 25 A D > - 0 0 4 60,-2.7 3,-1.7 -2,-0.9 62,-0.3 -0.835 26.9-179.7-120.5 98.4 16.6 26.8 -0.1 26 26 A T T 3 S+ 0 0 1 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.689 84.6 64.3 -70.0 -14.8 19.8 27.4 1.9 27 27 A G T 3 S+ 0 0 1 81,-0.1 178,-2.1 96,-0.1 2,-0.5 0.401 88.6 85.0 -86.1 3.5 18.5 25.4 4.8 28 28 A A B < -L 204 0C 0 -3,-1.7 59,-3.3 177,-0.3 176,-0.2 -0.924 58.9-162.3-111.4 125.7 18.5 22.2 2.6 29 29 A D S S+ 0 0 19 174,-2.6 59,-1.2 -2,-0.5 2,-0.2 0.857 80.1 26.5 -65.4 -37.0 21.6 20.1 2.2 30 30 A D S S- 0 0 27 173,-0.3 2,-0.5 57,-0.2 57,-0.2 -0.773 84.0-100.3-127.4 171.7 20.1 18.5 -0.8 31 31 A T - 0 0 0 43,-0.5 45,-2.9 -2,-0.2 2,-0.5 -0.795 32.7-174.9 -97.0 125.5 17.6 18.9 -3.6 32 32 A V E -gH 76 84B 0 52,-1.4 52,-3.3 -2,-0.5 2,-0.3 -0.986 3.4-171.3-126.8 120.4 14.2 17.3 -3.2 33 33 A L E -g 77 0B 0 43,-3.3 45,-2.1 -2,-0.5 3,-0.2 -0.820 28.8-102.7-112.5 151.9 11.6 17.4 -6.1 34 34 A E - 0 0 82 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.272 67.7 -56.7 -65.2 156.1 8.0 16.3 -6.1 35 35 A E S S+ 0 0 121 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 0.011 79.9 135.0 -37.9 128.5 7.1 13.0 -7.7 36 36 A M - 0 0 15 -3,-0.2 2,-0.5 2,-0.0 -3,-0.1 -0.948 55.2 -96.0-166.8 166.8 8.3 12.7 -11.3 37 37 A S - 0 0 98 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.833 38.4-179.5-101.7 137.3 10.0 10.1 -13.4 38 38 A L - 0 0 21 -2,-0.5 -2,-0.0 2,-0.1 24,-0.0 -0.927 30.0-100.9-128.0 154.6 13.8 10.3 -13.8 39 39 A P S S+ 0 0 99 0, 0.0 2,-0.0 0, 0.0 -1,-0.0 -0.279 76.1 14.4 -73.0 160.6 16.1 8.0 -15.8 40 40 A G S S- 0 0 70 19,-0.1 2,-0.2 2,-0.0 -2,-0.1 -0.219 96.8 -36.0 80.3-167.3 18.3 5.2 -14.4 41 41 A R - 0 0 226 19,-0.1 19,-0.4 -2,-0.0 2,-0.3 -0.564 49.7-151.6 -92.6 160.3 18.4 3.5 -11.1 42 42 A W - 0 0 119 -2,-0.2 17,-0.2 17,-0.1 15,-0.1 -0.881 1.0-152.0-126.8 160.4 17.7 5.0 -7.7 43 43 A K E -I 58 0B 110 15,-1.8 15,-3.2 -2,-0.3 2,-0.1 -0.898 32.2 -92.7-128.5 157.3 18.9 4.2 -4.2 44 44 A P E +I 57 0B 91 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.399 41.7 178.5 -73.3 146.8 17.1 4.8 -0.8 45 45 A K E -I 56 0B 64 11,-1.5 11,-2.7 -2,-0.1 2,-0.5 -0.974 19.5-149.4-151.4 133.5 17.7 7.9 1.3 46 46 A M E -I 55 0B 103 -2,-0.3 156,-0.6 9,-0.2 2,-0.3 -0.881 19.2-173.7-102.1 134.5 16.3 9.2 4.5 47 47 A I E -Ij 54 202B 0 7,-2.3 7,-2.3 -2,-0.5 2,-0.5 -0.940 13.8-142.0-125.5 149.7 16.0 12.9 5.0 48 48 A G E +Ij 53 203B 1 154,-2.9 156,-3.1 -2,-0.3 5,-0.2 -0.943 26.1 164.5-114.4 132.5 15.0 14.9 8.1 49 49 A G E > -I 52 0B 6 3,-2.5 3,-1.1 -2,-0.5 156,-0.2 -0.577 56.2 -70.1-127.2-166.3 12.9 18.0 8.0 50 50 A I T 3 S+ 0 0 17 154,-0.5 101,-0.2 1,-0.2 3,-0.1 0.808 130.6 41.8 -60.0 -31.6 10.9 20.2 10.3 51 51 A G T 3 S- 0 0 25 99,-2.2 2,-0.3 1,-0.3 -1,-0.2 0.405 122.9 -83.1-100.7 4.5 8.2 17.5 10.8 52 52 A G E < -I 49 0B 29 -3,-1.1 -3,-2.5 98,-0.4 -1,-0.3 -0.828 64.2 -37.9 128.8-167.1 10.4 14.4 11.1 53 53 A F E -I 48 0B 118 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.704 48.8-176.3 -98.0 145.4 12.1 11.9 8.7 54 54 A I E -I 47 0B 32 -7,-2.3 -7,-2.3 -2,-0.3 2,-0.4 -0.929 26.0-116.8-134.8 161.4 10.8 10.7 5.4 55 55 A K E +I 46 0B 88 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.844 37.1 173.8 -99.1 131.5 12.0 8.2 2.8 56 56 A V E -I 45 0B 2 -11,-2.7 -11,-1.5 -2,-0.4 2,-0.5 -0.845 33.5-106.2-131.9 170.5 12.9 9.4 -0.7 57 57 A R E -IK 44 77B 47 20,-2.6 20,-2.2 -2,-0.3 2,-0.6 -0.864 29.5-145.8-100.6 131.4 14.4 8.1 -3.9 58 58 A Q E -IK 43 76B 24 -15,-3.2 -15,-1.8 -2,-0.5 2,-0.5 -0.862 16.3-177.9-102.7 120.3 17.9 9.2 -4.7 59 59 A Y E - K 0 75B 16 16,-2.5 16,-2.7 -2,-0.6 3,-0.3 -0.969 15.7-150.4-113.6 124.3 18.9 9.6 -8.4 60 60 A D E + 0 0 72 -2,-0.5 14,-0.2 -19,-0.4 13,-0.1 -0.623 66.1 16.0 -97.8 155.6 22.6 10.6 -9.1 61 61 A Q E S+ 0 0 162 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.868 77.7 164.7 54.3 52.9 24.1 12.7 -11.9 62 62 A I E - K 0 73B 13 11,-2.7 11,-2.0 -3,-0.3 2,-0.4 -0.795 36.1-124.4-101.2 135.0 20.9 14.2 -13.1 63 63 A L E + K 0 72B 115 -2,-0.4 -47,-0.5 9,-0.2 2,-0.3 -0.647 38.5 162.3 -82.7 131.8 20.9 17.2 -15.4 64 64 A I E -EK 15 71B 4 7,-2.4 7,-2.1 -2,-0.4 2,-0.5 -0.990 26.7-148.2-149.3 137.3 19.0 20.2 -14.2 65 65 A E E -EK 14 70B 57 -51,-2.5 -51,-2.2 -2,-0.3 2,-0.5 -0.925 11.7-164.4-110.6 130.7 19.1 23.9 -15.3 66 66 A I E > S-EK 13 69B 0 3,-3.2 3,-2.5 -2,-0.5 -53,-0.2 -0.958 71.8 -29.7-120.3 114.8 18.4 26.5 -12.7 67 67 A C T 3 S- 0 0 58 -55,-2.2 -1,-0.2 -2,-0.5 -54,-0.1 0.869 129.1 -45.5 46.9 41.9 17.6 30.1 -13.8 68 68 A G T 3 S+ 0 0 55 1,-0.2 2,-0.5 -56,-0.2 -1,-0.3 0.420 115.5 113.9 87.4 -2.5 19.8 29.4 -16.8 69 69 A H E < - 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