==== 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 22-AUG-06 2I4X . 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) . 9858.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 68.7 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 . 71 35.9 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 . 30 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.6 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 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 2 1 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 0 103 0, 0.0 198,-1.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0-177.2 -1.6 40.1 19.7 2 2 A Q E -A 198 0A 135 196,-0.2 2,-0.6 197,-0.1 196,-0.2 -0.945 360.0-156.7-115.8 127.3 -1.0 37.0 21.8 3 3 A I E -A 197 0A 37 194,-3.1 194,-2.2 -2,-0.5 0, 0.0 -0.912 16.3-139.5-106.1 115.6 0.1 33.7 20.2 4 4 A T - 0 0 63 -2,-0.6 3,-0.2 192,-0.2 192,-0.1 -0.230 3.5-145.9 -69.0 159.4 -0.8 30.6 22.2 5 5 A L S S+ 0 0 1 190,-0.3 186,-0.2 1,-0.1 -1,-0.1 0.319 73.0 103.8-110.8 9.1 1.7 27.6 22.5 6 6 A W S S+ 0 0 175 185,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.804 95.7 22.8 -56.8 -32.1 -0.9 24.8 22.6 7 7 A Q S S- 0 0 128 -3,-0.2 0, 0.0 3,-0.0 0, 0.0 -0.787 111.4 -70.0-127.1 170.7 0.2 24.2 19.0 8 8 A R - 0 0 141 -2,-0.3 2,-1.9 1,-0.1 119,-0.1 -0.477 51.1-120.5 -64.2 126.1 3.3 25.0 17.0 9 9 A P - 0 0 5 0, 0.0 15,-2.6 0, 0.0 2,-0.3 -0.507 44.1-179.4 -72.9 82.4 3.4 28.8 16.4 10 10 A L E +D 23 0B 83 -2,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.628 7.4 174.1 -89.0 145.1 3.3 28.8 12.6 11 11 A V E -D 22 0B 21 11,-2.4 11,-2.8 -2,-0.3 2,-0.5 -0.934 29.5-121.3-142.1 161.5 3.4 32.0 10.5 12 12 A T E -D 21 0B 88 -2,-0.3 55,-0.5 9,-0.2 2,-0.3 -0.940 30.0-167.4-110.8 122.5 3.7 32.8 6.8 13 13 A I E -DE 20 66B 1 7,-3.1 7,-2.2 -2,-0.5 2,-0.5 -0.773 16.3-139.2-108.5 156.2 6.6 34.9 5.7 14 14 A K E +DE 19 65B 83 51,-1.8 51,-2.3 -2,-0.3 2,-0.3 -0.977 35.6 155.3-115.2 118.6 7.3 36.8 2.4 15 15 A I E > -D 18 0B 1 3,-2.5 3,-1.5 -2,-0.5 49,-0.1 -0.967 63.7 -5.8-149.8 128.4 10.9 36.5 1.3 16 16 A G T 3 S- 0 0 55 47,-0.5 3,-0.1 -2,-0.3 21,-0.1 0.835 128.4 -55.8 58.9 35.0 12.5 36.8 -2.2 17 17 A G T 3 S+ 0 0 64 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.613 117.5 111.9 73.7 14.0 9.1 37.0 -3.8 18 18 A Q E < -D 15 0B 72 -3,-1.5 -3,-2.5 2,-0.0 2,-0.6 -0.870 63.5-134.5-121.7 153.8 8.1 33.7 -2.1 19 19 A L E +D 14 0B 130 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.929 30.4 176.9-107.7 116.7 5.6 32.7 0.6 20 20 A K E -D 13 0B 26 -7,-2.2 -7,-3.1 -2,-0.6 2,-0.4 -0.971 26.2-135.0-125.2 136.5 7.1 30.3 3.1 21 21 A E E +D 12 0B 121 -2,-0.4 2,-0.3 -9,-0.2 62,-0.3 -0.756 36.2 173.0 -87.2 131.5 5.5 28.8 6.2 22 22 A A E -D 11 0B 1 -11,-2.8 -11,-2.4 -2,-0.4 2,-0.5 -0.941 33.2-109.9-139.6 164.3 7.9 28.9 9.2 23 23 A L E -Df 10 84B 9 60,-2.4 62,-3.0 -2,-0.3 2,-1.1 -0.826 25.9-129.1 -99.1 119.8 8.0 28.3 13.0 24 24 A L E - f 0 85B 1 -15,-2.6 2,-0.6 -2,-0.5 62,-0.1 -0.556 41.4-172.0 -66.2 103.0 8.4 31.2 15.4 25 25 A D > + 0 0 16 60,-2.4 3,-1.5 -2,-1.1 62,-0.3 -0.835 32.4 178.4-115.9 105.7 11.3 29.7 17.2 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.663 88.7 59.7 -71.7 -18.8 12.8 31.2 20.4 27 27 A G T 3 S+ 0 0 16 81,-0.1 2,-0.6 96,-0.1 -1,-0.3 0.477 90.0 86.5 -86.7 -3.7 15.3 28.3 20.5 28 28 A A < - 0 0 13 -3,-1.5 59,-2.7 57,-0.2 60,-0.3 -0.888 59.8-164.4-102.0 116.9 16.7 29.3 17.1 29 29 A D S S+ 0 0 57 -2,-0.6 59,-1.8 57,-0.2 2,-0.2 0.947 79.2 21.4 -60.9 -47.5 19.4 32.0 17.1 30 30 A D S S- 0 0 41 57,-0.2 2,-0.4 56,-0.2 57,-0.1 -0.732 90.2 -97.2-119.9 165.5 18.9 32.6 13.4 31 31 A T E -g 75 0B 0 43,-0.8 45,-2.6 -2,-0.2 2,-0.4 -0.679 40.2-167.5 -80.1 131.1 16.2 32.0 10.8 32 32 A V E -gH 76 84B 8 52,-1.9 52,-2.3 -2,-0.4 2,-0.3 -0.991 6.7-178.8-127.0 124.5 16.9 28.8 8.9 33 33 A L E -g 77 0B 0 43,-2.7 45,-2.5 -2,-0.4 47,-0.2 -0.893 30.4-102.5-124.0 154.3 15.0 27.9 5.7 34 34 A E S S- 0 0 89 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.211 70.8 -50.9 -65.1 162.9 15.0 25.0 3.3 35 35 A E S S+ 0 0 110 43,-0.3 2,-0.3 42,-0.1 -1,-0.2 -0.010 77.6 140.2 -41.4 127.7 16.8 25.4 -0.1 36 36 A M - 0 0 16 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.960 51.6 -98.6-163.8 161.5 15.9 28.5 -2.0 37 37 A S + 0 0 99 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.771 40.2 173.6 -94.9 132.5 17.6 31.1 -4.1 38 38 A L - 0 0 14 -2,-0.4 2,-0.1 2,-0.1 -2,-0.0 -0.954 27.4-113.8-133.4 153.6 18.6 34.5 -2.5 39 39 A P + 0 0 97 0, 0.0 2,-0.0 0, 0.0 -23,-0.0 -0.317 69.7 34.7 -83.6 169.5 20.5 37.5 -3.9 40 40 A G S S- 0 0 45 -2,-0.1 2,-0.1 19,-0.1 -2,-0.1 -0.147 94.3 -45.4 81.5 179.2 23.9 38.8 -2.7 41 41 A R - 0 0 206 19,-0.1 19,-0.5 -2,-0.0 2,-0.3 -0.431 53.3-165.8 -84.8 161.8 27.0 37.0 -1.4 42 42 A W E -I 59 0B 123 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.938 13.7-139.4-143.9 165.5 27.0 34.3 1.3 43 43 A K E -I 58 0B 79 15,-1.3 15,-3.0 -2,-0.3 2,-0.1 -0.980 27.9-114.4-128.7 137.4 29.4 32.5 3.6 44 44 A P E +I 57 0B 94 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.484 42.3 172.1 -71.6 144.6 29.3 28.7 4.4 45 45 A K E -I 56 0B 81 11,-2.3 11,-3.1 -2,-0.1 2,-0.5 -0.986 28.6-137.5-150.6 154.8 28.4 27.9 8.0 46 46 A M E -I 55 0B 115 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.976 21.0-170.4-119.4 121.2 27.6 24.8 10.1 47 47 A I E -I 54 0B 26 7,-2.3 7,-2.0 -2,-0.5 2,-0.3 -0.920 7.1-151.4-114.2 141.3 24.8 24.9 12.6 48 48 A G E +I 53 0B 41 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.851 27.4 133.5-117.2 149.9 24.0 22.4 15.3 49 49 A G E > -I 52 0B 20 3,-2.0 3,-2.0 -2,-0.3 2,-0.2 -0.745 64.9 -21.2-158.2-156.5 20.9 21.1 17.1 50 50 A I T 3 S+ 0 0 28 1,-0.3 101,-2.2 -2,-0.2 102,-0.7 -0.509 132.3 22.9 -66.9 126.9 19.2 17.9 18.1 51 51 A G T 3 S- 0 0 30 128,-0.5 2,-0.3 100,-0.3 -1,-0.3 0.192 123.3 -86.5 100.9 -15.5 20.6 15.2 15.8 52 52 A G E < -I 49 0B 26 -3,-2.0 -3,-2.0 100,-0.1 2,-0.2 -0.799 64.7 -27.9 119.5-160.7 23.8 17.1 14.9 53 53 A F E -I 48 0B 138 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.640 38.7-168.2-102.2 155.8 25.0 19.7 12.4 54 54 A I E -I 47 0B 21 -7,-2.0 -7,-2.3 -2,-0.2 2,-0.4 -0.959 26.6-116.5-136.1 148.5 23.9 20.7 8.9 55 55 A K E +I 46 0B 144 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.757 38.0 176.0 -90.2 138.1 25.8 22.9 6.5 56 56 A V E -I 45 0B 3 -11,-3.1 -11,-2.3 -2,-0.4 2,-0.6 -0.871 32.5-118.1-136.8 165.2 24.1 26.2 5.4 57 57 A R E -IJ 44 77B 52 20,-2.3 20,-2.4 -2,-0.3 2,-0.7 -0.941 30.6-141.0-106.9 122.3 24.7 29.3 3.3 58 58 A Q E -IJ 43 76B 43 -15,-3.0 -15,-1.3 -2,-0.6 2,-0.4 -0.781 19.4-175.8 -91.8 117.7 24.6 32.5 5.4 59 59 A Y E -IJ 42 75B 9 16,-2.6 16,-2.7 -2,-0.7 3,-0.3 -0.923 8.5-157.2-111.7 131.6 23.0 35.5 3.7 60 60 A D E + 0 0 62 -19,-0.5 14,-0.2 -2,-0.4 -19,-0.1 -0.690 65.2 24.5-107.3 161.4 22.9 38.9 5.5 61 61 A Q E S+ 0 0 144 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.921 74.6 164.5 53.8 54.8 20.6 41.9 5.1 62 62 A I E - J 0 73B 13 11,-2.4 11,-2.0 -3,-0.3 2,-0.4 -0.887 35.0-130.3-103.8 129.6 17.6 40.0 3.7 63 63 A L E + J 0 72B 105 -2,-0.5 -47,-0.5 9,-0.2 2,-0.4 -0.676 31.4 177.6 -81.9 126.6 14.2 41.7 3.7 64 64 A I E - J 0 71B 1 7,-2.8 7,-2.1 -2,-0.4 2,-0.6 -0.997 21.4-147.3-135.1 132.0 11.4 39.6 5.2 65 65 A E E +EJ 14 70B 73 -51,-2.3 -51,-1.8 -2,-0.4 2,-0.4 -0.869 27.3 164.4-100.5 119.7 7.7 40.4 5.8 66 66 A I E > -EJ 13 69B 2 3,-1.8 3,-2.4 -2,-0.6 -53,-0.1 -0.999 65.1 -8.5-138.1 135.6 6.2 38.8 8.8 67 67 A C T 3 S- 0 0 53 -55,-0.5 3,-0.1 -2,-0.4 -1,-0.1 0.784 129.4 -55.1 51.1 31.3 2.9 39.5 10.6 68 68 A G T 3 S+ 0 0 63 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.213 115.2 115.1 90.4 -15.9 2.6 42.7 8.5 69 69 A H E < - J 0 66B 79 -3,-2.4 -3,-1.8 24,-0.0 2,-0.6 -0.527 60.8-139.8 -87.0 154.1 6.0 44.0 9.5 70 70 A K E + J 0 65B 137 -5,-0.2 -5,-0.2 -2,-0.2 2,-0.1 -0.823 34.9 172.0-117.2 89.7 8.9 44.5 7.1 71 71 A A E - J 0 64B 11 -7,-2.1 -7,-2.8 -2,-0.6 2,-0.4 -0.440 25.2-139.3 -96.6 168.8 12.1 43.4 8.9 72 72 A I E + J 0 63B 83 -9,-0.2 2,-0.3 -2,-0.1 -9,-0.2 -0.993 38.6 124.7-129.4 133.4 15.7 42.9 7.9 73 73 A G E - 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