==== 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 21-AUG-06 2I4D . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR M.HATADA . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9661.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 35.4 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 . 12 6.1 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 3 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 . 2 4 1 0 0 3 0 3 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 0 104 0, 0.0 198,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-175.9 -1.6 40.2 19.7 2 2 A Q E -A 198 0A 135 196,-0.2 2,-0.5 197,-0.1 196,-0.2 -0.890 360.0-155.2-112.3 139.3 -1.0 37.1 21.7 3 3 A I E -A 197 0A 37 194,-3.0 194,-2.3 -2,-0.4 2,-0.0 -0.965 14.4-137.6-118.9 118.7 0.0 33.7 20.3 4 4 A T - 0 0 62 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.264 3.1-145.5 -69.5 158.3 -0.8 30.5 22.2 5 5 A L S S+ 0 0 1 190,-0.3 186,-0.2 1,-0.1 -1,-0.1 0.215 74.2 103.0-109.7 13.9 1.8 27.7 22.5 6 6 A W S S+ 0 0 182 184,-0.1 2,-0.3 185,-0.1 -1,-0.1 0.810 93.8 23.3 -63.0 -32.5 -0.8 24.9 22.5 7 7 A Q S S- 0 0 126 -3,-0.2 0, 0.0 3,-0.0 0, 0.0 -0.831 111.5 -70.6-127.0 166.6 0.2 24.3 18.8 8 8 A R - 0 0 123 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.389 50.9-120.5 -59.5 126.9 3.4 25.0 16.9 9 9 A P + 0 0 6 0, 0.0 15,-2.7 0, 0.0 2,-0.3 -0.548 47.4 175.6 -73.7 81.4 3.5 28.9 16.4 10 10 A L E +D 23 0B 72 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.714 6.2 173.2 -93.2 142.1 3.5 28.8 12.6 11 11 A V E -D 22 0B 21 11,-2.5 11,-3.0 -2,-0.3 2,-0.5 -0.917 32.3-111.8-141.3 166.0 3.3 31.9 10.4 12 12 A T E -D 21 0B 91 -2,-0.3 55,-0.6 9,-0.2 2,-0.3 -0.901 33.6-171.2-105.0 123.6 3.6 32.9 6.7 13 13 A I E -DE 20 66B 0 7,-2.6 7,-1.9 -2,-0.5 2,-0.5 -0.754 15.3-141.6-109.9 161.7 6.6 34.9 5.7 14 14 A K E +DE 19 65B 67 51,-2.0 51,-2.2 -2,-0.3 2,-0.3 -0.993 32.1 153.8-124.6 124.7 7.4 36.6 2.4 15 15 A I E > -D 18 0B 3 3,-1.9 3,-1.8 -2,-0.5 49,-0.1 -0.953 66.1 -3.6-155.1 130.7 11.0 36.5 1.1 16 16 A G T 3 S- 0 0 58 47,-0.5 3,-0.1 -2,-0.3 21,-0.1 0.750 127.6 -58.6 59.9 24.4 12.4 36.7 -2.4 17 17 A G T 3 S+ 0 0 57 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.617 114.1 112.4 80.9 15.8 8.9 36.9 -3.8 18 18 A Q E < -D 15 0B 73 -3,-1.8 -3,-1.9 2,-0.0 2,-0.5 -0.921 61.5-134.3-124.3 144.8 7.9 33.5 -2.3 19 19 A L E +D 14 0B 114 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.863 31.4 173.1 -98.4 126.6 5.4 32.5 0.5 20 20 A K E -D 13 0B 27 -7,-1.9 -7,-2.6 -2,-0.5 2,-0.5 -0.953 31.4-126.2-132.4 150.3 6.7 30.1 3.1 21 21 A E E +D 12 0B 120 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.846 38.6 179.0 -96.2 131.7 5.4 28.7 6.3 22 22 A A E -D 11 0B 0 -11,-3.0 -11,-2.5 -2,-0.5 2,-0.5 -0.940 28.5-115.7-136.1 160.5 7.8 29.1 9.2 23 23 A L E -Df 10 84B 4 60,-2.5 62,-3.1 -2,-0.3 2,-1.1 -0.813 20.8-133.6-100.5 121.0 8.2 28.4 12.9 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.5 62,-0.1 -0.624 38.5-174.8 -71.2 104.0 8.5 31.3 15.4 25 25 A D > + 0 0 15 60,-2.5 3,-1.4 -2,-1.1 62,-0.3 -0.843 31.5 178.6-117.9 105.0 11.4 29.8 17.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.650 87.9 61.1 -71.0 -17.9 12.8 31.4 20.5 27 27 A G T 3 S+ 0 0 18 81,-0.1 2,-0.6 96,-0.1 -1,-0.3 0.504 88.6 85.1 -86.3 -6.4 15.3 28.5 20.8 28 28 A A < - 0 0 14 -3,-1.4 59,-3.0 57,-0.2 60,-0.2 -0.880 58.7-164.3-100.6 120.6 16.9 29.4 17.4 29 29 A D S S+ 0 0 54 -2,-0.6 59,-1.4 57,-0.2 2,-0.3 0.910 79.6 29.8 -65.9 -41.9 19.6 32.0 17.4 30 30 A D S S- 0 0 48 57,-0.2 2,-0.4 56,-0.1 57,-0.2 -0.774 86.5-106.5-119.9 162.3 19.3 32.4 13.6 31 31 A T E -g 75 0B 0 43,-0.6 45,-2.4 -2,-0.3 2,-0.4 -0.705 36.5-169.2 -85.1 134.0 16.6 32.0 11.0 32 32 A V E -gH 76 84B 5 52,-2.0 52,-3.2 -2,-0.4 2,-0.3 -0.982 5.1-177.1-132.6 122.2 17.0 28.9 8.9 33 33 A L E -g 77 0B 0 43,-2.9 45,-2.3 -2,-0.4 47,-0.2 -0.861 31.3-101.3-118.8 154.2 15.0 28.1 5.7 34 34 A E S S- 0 0 82 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.199 70.0 -53.1 -64.2 160.6 15.0 25.2 3.3 35 35 A E S S+ 0 0 107 43,-0.3 2,-0.3 42,-0.1 -1,-0.2 -0.014 77.7 137.1 -41.6 129.3 16.9 25.4 0.0 36 36 A M - 0 0 16 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.940 53.4-100.6-167.7 156.0 16.1 28.4 -2.1 37 37 A S - 0 0 99 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.721 36.9-179.4 -91.2 138.3 18.1 31.0 -4.1 38 38 A L - 0 0 16 -2,-0.4 2,-0.0 2,-0.1 -2,-0.0 -0.984 26.5-114.2-133.9 143.8 18.8 34.4 -2.5 39 39 A P S S+ 0 0 101 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.313 72.9 38.5 -74.7 163.6 20.7 37.3 -4.1 40 40 A G S S- 0 0 56 19,-0.1 2,-0.3 -2,-0.0 -2,-0.1 -0.409 95.6 -44.8 95.1-173.3 24.0 38.6 -2.8 41 41 A R - 0 0 145 -2,-0.1 19,-0.6 19,-0.1 2,-0.3 -0.665 51.5-164.3 -97.6 153.5 27.1 36.9 -1.3 42 42 A W E -I 59 0B 126 -2,-0.3 17,-0.2 17,-0.1 15,-0.0 -0.895 11.7-143.6-133.8 162.8 27.0 34.1 1.2 43 43 A K E -I 58 0B 82 15,-1.1 15,-3.2 -2,-0.3 2,-0.2 -0.965 29.7-111.6-126.1 140.0 29.5 32.3 3.6 44 44 A P E +I 57 0B 96 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.520 43.3 176.1 -73.0 142.5 29.4 28.6 4.4 45 45 A K E -I 56 0B 82 11,-2.4 11,-3.1 -2,-0.2 2,-0.4 -0.976 25.7-141.9-145.0 155.2 28.4 27.9 8.0 46 46 A M E -I 55 0B 114 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.990 20.0-174.5-121.1 125.4 27.7 24.8 10.2 47 47 A I E -I 54 0B 25 7,-2.3 7,-2.2 -2,-0.4 2,-0.3 -0.953 6.8-155.6-121.8 143.3 24.8 24.9 12.7 48 48 A G E +I 53 0B 39 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.889 25.3 134.0-123.9 152.9 24.0 22.2 15.2 49 49 A G E > -I 52 0B 19 3,-1.9 3,-2.1 -2,-0.3 2,-0.2 -0.719 65.8 -16.4-158.7-152.9 21.0 21.0 17.2 50 50 A I T 3 S+ 0 0 20 1,-0.3 101,-1.9 -2,-0.2 102,-0.6 -0.489 132.9 23.4 -65.8 130.2 19.3 17.8 18.1 51 51 A G T 3 S- 0 0 28 128,-0.5 -1,-0.3 100,-0.2 2,-0.2 0.413 122.7 -89.2 93.5 -2.9 20.6 15.1 15.7 52 52 A G E < -I 49 0B 29 -3,-2.1 -3,-1.9 100,-0.1 99,-0.3 -0.622 65.5 -24.0 105.3-160.6 23.8 17.0 15.0 53 53 A F E -I 48 0B 137 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.575 38.0-166.7-100.4 156.7 25.0 19.6 12.4 54 54 A I E -I 47 0B 20 -7,-2.2 -7,-2.3 -2,-0.2 2,-0.4 -0.980 25.6-120.3-136.5 143.8 23.9 20.7 8.9 55 55 A K E +I 46 0B 147 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.718 38.0 174.9 -86.2 138.0 25.8 22.9 6.5 56 56 A V E -I 45 0B 3 -11,-3.1 -11,-2.4 -2,-0.4 2,-0.5 -0.878 32.4-116.2-138.7 167.6 24.1 26.1 5.4 57 57 A R E -IJ 44 77B 50 20,-2.2 20,-2.1 -2,-0.3 2,-0.6 -0.946 29.4-139.8-109.2 123.1 24.8 29.2 3.4 58 58 A Q E -IJ 43 76B 36 -15,-3.2 -15,-1.1 -2,-0.5 2,-0.4 -0.759 19.9-177.0 -90.4 118.6 24.7 32.5 5.3 59 59 A Y E -IJ 42 75B 11 16,-2.9 16,-3.0 -2,-0.6 3,-0.3 -0.923 8.9-159.3-112.2 132.8 23.0 35.5 3.7 60 60 A D E + 0 0 35 -19,-0.6 14,-0.2 -2,-0.4 -19,-0.1 -0.735 65.3 26.2-110.2 162.0 23.0 38.9 5.4 61 61 A Q E S+ 0 0 149 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.906 76.8 163.0 56.4 48.3 20.8 41.9 5.0 62 62 A I E - J 0 73B 12 11,-2.4 11,-1.7 -3,-0.3 2,-0.5 -0.825 34.3-133.1-100.0 133.6 17.8 40.0 3.7 63 63 A L E + J 0 72B 104 -2,-0.4 -47,-0.5 9,-0.2 2,-0.4 -0.753 28.8 175.3 -89.2 130.9 14.4 41.6 3.7 64 64 A I E - J 0 71B 1 7,-2.8 7,-2.6 -2,-0.5 2,-0.5 -0.988 22.6-146.0-139.1 125.7 11.5 39.5 5.1 65 65 A E E +EJ 14 70B 83 -51,-2.2 -51,-2.0 -2,-0.4 2,-0.3 -0.784 29.3 166.5 -90.2 132.0 7.9 40.4 5.7 66 66 A I E > -EJ 13 69B 1 3,-2.7 3,-1.5 -2,-0.5 -53,-0.1 -0.918 62.5 -11.5-153.6 122.3 6.4 38.7 8.7 67 67 A C T 3 S- 0 0 50 -55,-0.6 3,-0.1 -2,-0.3 -54,-0.1 0.786 130.1 -52.7 60.7 29.5 3.2 39.4 10.6 68 68 A G T 3 S+ 0 0 50 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.514 116.7 117.9 84.7 6.3 2.8 42.7 8.7 69 69 A H E < - J 0 66B 76 -3,-1.5 -3,-2.7 2,-0.0 2,-0.7 -0.918 57.8-146.3-111.3 126.9 6.3 43.7 9.7 70 70 A K E + J 0 65B 142 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.825 33.6 172.4 -90.3 114.7 9.1 44.3 7.2 71 71 A A E - J 0 64B 6 -7,-2.6 -7,-2.8 -2,-0.7 2,-0.4 -0.947 24.3-144.7-127.9 150.1 12.3 43.2 8.9 72 72 A I E + J 0 63B 82 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.874 37.1 120.2-113.2 145.4 15.9 42.7 7.8 73 73 A G E - 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