==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-DEC-99 1C70 . COMPND 2 MOLECULE: PROTEIN (PROTEASE); . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR S.MUNSHI . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9915.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 8.6 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 . 31 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 5.6 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 1 1 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 PARALLEL BRIDGES PER LADDER . 2 1 4 0 0 3 1 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 80 0, 0.0 198,-1.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 162.1 30.0 39.2 5.2 2 2 A Q E -A 198 0A 126 196,-0.2 2,-0.4 194,-0.0 196,-0.2 -0.954 360.0-162.8-106.4 125.2 29.9 36.8 2.2 3 3 A I E -A 197 0A 38 194,-3.2 194,-2.3 -2,-0.5 2,-0.2 -0.935 5.2-148.4-111.6 122.5 29.1 33.3 3.3 4 4 A T E -A 196 0A 72 -2,-0.4 3,-0.3 192,-0.2 192,-0.1 -0.594 14.4-131.5 -87.8 162.9 29.8 30.3 1.0 5 5 A L S S+ 0 0 1 190,-0.5 186,-0.2 -2,-0.2 185,-0.1 -0.062 74.3 105.9-108.1 35.0 27.6 27.3 1.2 6 6 A W S S+ 0 0 178 2,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.872 91.2 30.2 -79.1 -40.4 30.0 24.4 1.5 7 7 A Q S S- 0 0 146 -3,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.719 115.2 -74.4-105.3 167.2 29.1 23.9 5.1 8 8 A R - 0 0 114 -2,-0.3 2,-2.1 1,-0.1 119,-0.1 -0.409 52.4-112.4 -56.5 131.8 25.7 24.7 6.7 9 9 A P + 0 0 4 0, 0.0 15,-2.8 0, 0.0 2,-0.3 -0.431 53.4 167.0 -76.1 76.4 25.4 28.6 7.0 10 10 A L E +D 23 0B 67 -2,-2.1 2,-0.3 13,-0.2 13,-0.2 -0.738 7.8 172.4 -90.1 141.3 25.5 28.8 10.8 11 11 A V E -D 22 0B 13 11,-2.6 11,-2.7 -2,-0.3 2,-0.5 -0.910 36.1-101.7-140.8 163.8 26.0 32.2 12.6 12 12 A T E -D 21 0B 72 -2,-0.3 55,-1.3 9,-0.2 2,-0.3 -0.796 36.4-168.0 -93.5 129.8 25.8 33.3 16.3 13 13 A I E -DE 20 66B 1 7,-2.9 7,-2.1 -2,-0.5 2,-0.6 -0.873 15.7-144.4-112.4 146.6 22.7 35.1 17.3 14 14 A K E +DE 19 65B 107 51,-2.1 51,-2.3 -2,-0.3 2,-0.4 -0.982 30.2 165.1-110.0 125.3 22.0 37.0 20.5 15 15 A I E > -DE 18 64B 2 3,-2.9 3,-1.2 -2,-0.6 49,-0.1 -0.967 67.8 -15.8-146.7 115.1 18.4 36.6 21.6 16 16 A G T 3 S- 0 0 65 47,-0.5 2,-1.2 -2,-0.4 3,-0.1 0.927 125.0 -55.5 54.6 50.5 17.2 37.5 25.1 17 17 A G T 3 S+ 0 0 57 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 -0.012 117.7 111.0 75.8 -36.5 20.8 37.6 26.5 18 18 A Q E < -D 15 0B 99 -3,-1.2 -3,-2.9 -2,-1.2 2,-0.6 -0.498 61.1-146.9 -70.9 134.8 21.5 34.1 25.3 19 19 A L E +D 14 0B 120 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.937 29.5 170.6-100.3 116.2 23.9 33.7 22.5 20 20 A K E -D 13 0B 36 -7,-2.1 -7,-2.9 -2,-0.6 2,-0.3 -0.784 33.0-114.4-118.6 162.4 22.8 30.7 20.4 21 21 A E E +D 12 0B 101 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.823 39.7 178.1 -95.6 151.6 24.0 29.3 17.0 22 22 A A E -D 11 0B 0 -11,-2.7 -11,-2.6 -2,-0.3 2,-0.5 -0.993 27.9-113.2-156.6 159.5 21.5 29.5 14.0 23 23 A L E -Df 10 84B 5 60,-2.7 62,-2.7 -2,-0.3 2,-1.1 -0.791 19.4-135.8-101.1 126.3 21.1 28.7 10.4 24 24 A L E - f 0 85B 0 -15,-2.8 2,-0.7 -2,-0.5 62,-0.2 -0.644 34.5-175.7 -83.0 102.8 20.6 31.4 7.6 25 25 A D > - 0 0 18 60,-2.7 3,-1.0 -2,-1.1 62,-0.3 -0.832 26.8-179.0-110.9 108.3 17.8 29.8 5.7 26 26 A T T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.2 98,-0.1 0.718 85.1 63.1 -79.4 -13.7 16.5 31.4 2.5 27 27 A G T 3 S+ 0 0 19 81,-0.1 2,-0.6 96,-0.1 -1,-0.2 0.636 87.6 86.2 -83.4 -10.1 13.9 28.5 2.2 28 28 A A < - 0 0 18 -3,-1.0 59,-3.2 57,-0.2 60,-0.2 -0.817 53.9-169.2 -98.4 124.0 12.2 29.5 5.4 29 29 A D S S+ 0 0 75 -2,-0.6 59,-1.3 57,-0.2 -1,-0.2 0.920 76.6 41.3 -67.2 -47.0 9.4 32.1 5.4 30 30 A D S S- 0 0 42 57,-0.1 2,-0.5 56,-0.1 57,-0.2 -0.508 82.9-116.3-101.8 168.5 9.3 32.2 9.2 31 31 A T E -g 75 0B 0 43,-0.5 45,-2.9 -2,-0.2 2,-0.4 -0.935 31.5-172.0-108.8 127.2 11.9 32.2 12.0 32 32 A V E -gH 76 84B 11 52,-1.3 52,-3.1 -2,-0.5 2,-0.3 -0.970 1.7-169.9-126.2 125.5 11.8 29.2 14.3 33 33 A L E -g 77 0B 0 43,-2.9 45,-2.6 -2,-0.4 3,-0.2 -0.823 29.4-102.9-116.9 151.8 13.8 28.9 17.5 34 34 A E E -g 78 0B 62 -2,-0.3 49,-0.0 43,-0.2 -1,-0.0 -0.421 67.1 -57.6 -70.3 147.5 14.3 25.8 19.8 35 35 A E S S+ 0 0 118 43,-1.1 2,-0.3 45,-0.2 -1,-0.2 0.038 81.8 134.2 -30.2 105.6 12.3 25.7 23.0 36 36 A M - 0 0 16 -3,-0.2 2,-0.5 2,-0.0 -3,-0.1 -0.928 55.0 -94.3-150.8 169.5 13.1 28.8 25.2 37 37 A S + 0 0 103 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.819 37.1 174.1 -98.6 126.8 11.4 31.4 27.2 38 38 A L - 0 0 13 -2,-0.5 2,-0.1 2,-0.1 39,-0.0 -0.988 30.1-118.6-123.3 133.6 10.5 34.7 25.7 39 39 A P S S+ 0 0 112 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.367 70.6 52.1 -51.6 152.1 8.4 37.4 27.5 40 40 A G S S- 0 0 65 -2,-0.1 2,-0.3 19,-0.1 -2,-0.1 -0.533 91.4 -57.0 106.0 177.7 5.1 38.6 26.2 41 41 A R - 0 0 235 -2,-0.2 19,-0.5 19,-0.1 2,-0.3 -0.711 52.1-154.1 -93.5 149.1 1.9 36.9 25.1 42 42 A W - 0 0 123 -2,-0.3 17,-0.2 17,-0.1 -2,-0.0 -0.889 12.7-147.2-125.2 154.7 1.9 34.3 22.4 43 43 A K E -I 58 0B 136 15,-1.7 15,-3.0 -2,-0.3 2,-0.4 -0.761 29.1-119.9 -96.1 155.7 -0.5 32.8 19.8 44 44 A P E +I 57 0B 82 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.822 34.6 177.3 -85.5 149.2 -0.2 29.1 18.8 45 45 A K E -I 56 0B 69 11,-2.1 11,-2.2 -2,-0.4 2,-0.4 -0.939 25.2-137.2-140.0 160.0 0.5 28.4 15.1 46 46 A M E -I 55 0B 98 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.967 24.9-176.4-113.0 134.4 1.1 25.1 13.3 47 47 A I E -I 54 0B 21 7,-2.5 7,-2.6 -2,-0.4 2,-0.4 -0.995 11.5-146.0-131.3 140.0 4.0 25.2 10.7 48 48 A G E +I 53 0B 43 -2,-0.4 5,-0.3 5,-0.3 2,-0.2 -0.870 23.6 157.2-111.9 147.0 5.0 22.4 8.4 49 49 A G - 0 0 38 3,-1.7 102,-0.1 -2,-0.4 100,-0.0 -0.399 60.4 -42.3-133.1-147.5 8.3 21.2 7.0 50 50 A I S S+ 0 0 65 -2,-0.2 101,-0.2 1,-0.1 3,-0.1 0.867 135.5 31.6 -59.5 -49.1 10.0 18.1 5.6 51 51 A G S S- 0 0 30 99,-2.8 100,-0.3 1,-0.3 2,-0.2 0.956 123.5 -86.0 -70.4 -75.3 8.5 15.6 8.1 52 52 A G - 0 0 26 98,-0.5 -3,-1.7 -5,-0.1 -1,-0.3 -0.805 64.4 -28.4-168.7-156.9 5.2 17.3 8.7 53 53 A F E -I 48 0B 150 -5,-0.3 2,-0.3 -2,-0.2 -5,-0.3 -0.424 46.2-173.4 -78.1 142.7 3.6 20.0 10.9 54 54 A I E -I 47 0B 26 -7,-2.6 -7,-2.5 -2,-0.1 2,-0.4 -0.927 26.7-114.6-126.4 163.2 4.7 21.0 14.5 55 55 A K E +I 46 0B 134 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.816 37.2 175.5-100.6 133.0 3.1 23.4 17.0 56 56 A V E -I 45 0B 5 -11,-2.2 -11,-2.1 -2,-0.4 2,-0.5 -0.881 32.5-117.2-131.6 163.1 5.0 26.5 17.9 57 57 A R E -IJ 44 77B 47 20,-2.2 20,-2.5 -2,-0.3 2,-0.7 -0.920 29.9-139.2-105.1 126.7 4.2 29.6 20.0 58 58 A Q E -IJ 43 76B 32 -15,-3.0 -15,-1.7 -2,-0.5 2,-0.5 -0.853 19.8-175.3 -95.2 112.4 4.2 32.8 18.0 59 59 A Y E - J 0 75B 9 16,-2.9 16,-2.5 -2,-0.7 3,-0.3 -0.895 14.4-147.9-104.7 128.5 5.9 35.8 19.6 60 60 A D E + 0 0 87 -2,-0.5 14,-0.2 -19,-0.5 -19,-0.1 -0.667 65.9 11.2-100.8 156.6 5.7 39.1 17.8 61 61 A Q E S+ 0 0 154 -2,-0.2 2,-0.3 1,-0.2 13,-0.2 0.858 79.3 161.3 45.2 53.4 8.1 42.1 17.6 62 62 A I E - J 0 73B 25 11,-2.9 11,-2.1 -3,-0.3 2,-0.5 -0.736 36.1-125.6 -99.5 144.8 11.0 40.3 19.3 63 63 A L E + J 0 72B 83 -2,-0.3 -47,-0.5 9,-0.2 2,-0.4 -0.847 30.5 171.2 -97.0 123.2 14.6 41.6 18.9 64 64 A I E -EJ 15 71B 0 7,-2.6 7,-2.5 -2,-0.5 2,-0.7 -0.946 25.5-145.5-123.0 143.8 17.4 39.3 17.6 65 65 A E E -EJ 14 70B 69 -51,-2.3 -51,-2.1 -2,-0.4 2,-0.7 -0.966 19.0-162.0-106.3 111.5 20.8 40.6 16.8 66 66 A I E > -EJ 13 69B 0 3,-2.6 3,-1.8 -2,-0.7 -53,-0.2 -0.901 67.8 -27.9-100.8 112.8 21.9 38.4 13.8 67 67 A C T 3 S- 0 0 46 -55,-1.3 -1,-0.2 -2,-0.7 -54,-0.1 0.940 127.5 -41.2 45.7 65.4 25.6 38.6 13.3 68 68 A G T 3 S+ 0 0 56 -3,-0.3 2,-0.5 -56,-0.2 -1,-0.3 0.347 121.6 101.7 74.0 -8.1 26.2 42.0 14.7 69 69 A H E < - J 0 66B 79 -3,-1.8 -3,-2.6 2,-0.0 2,-0.2 -0.890 67.6-133.2-111.0 129.9 23.1 43.5 13.1 70 70 A K E + J 0 65B 141 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.2 -0.623 26.9 175.3 -78.9 148.6 19.9 44.1 15.0 71 71 A A E - J 0 64B 2 -7,-2.5 -7,-2.6 -2,-0.2 2,-0.4 -0.973 17.9-153.0-149.5 149.1 16.5 43.0 13.6 72 72 A I E + J 0 63B 75 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.971 39.8 111.8-122.2 138.0 12.9 43.0 15.0 73 73 A G E - 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