==== 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 2I4U . 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) . 9791.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 65.2 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 . 3 3 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 0 105 0, 0.0 198,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-178.8 -1.6 40.2 19.7 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.6 197,-0.1 196,-0.2 -0.904 360.0-155.7-113.7 137.2 -0.9 37.1 21.8 3 3 A I E -A 197 0A 37 194,-3.5 194,-2.6 -2,-0.4 2,-0.0 -0.954 14.1-144.5-116.5 113.6 0.1 33.7 20.4 4 4 A T - 0 0 67 -2,-0.6 3,-0.2 192,-0.2 192,-0.1 -0.285 6.0-141.1 -71.7 158.8 -0.7 30.6 22.4 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.1 185,-0.1 0.192 73.0 104.3-110.6 17.7 1.7 27.6 22.6 6 6 A W S S+ 0 0 175 184,-0.1 2,-0.3 185,-0.1 -1,-0.1 0.817 93.8 27.3 -64.4 -32.1 -0.8 24.7 22.6 7 7 A Q S S- 0 0 134 -3,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.801 111.7 -74.2-122.6 166.7 0.2 24.2 18.9 8 8 A R - 0 0 114 -2,-0.3 2,-1.9 1,-0.1 119,-0.1 -0.430 51.1-117.7 -61.8 130.5 3.4 25.0 17.0 9 9 A P + 0 0 5 0, 0.0 15,-2.8 0, 0.0 2,-0.3 -0.515 47.5 177.0 -74.8 82.1 3.5 28.8 16.5 10 10 A L E +D 23 0B 81 -2,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.663 7.3 175.4 -91.8 143.1 3.5 28.8 12.7 11 11 A V E -D 22 0B 21 11,-2.7 11,-3.1 -2,-0.3 2,-0.6 -0.939 30.7-117.2-141.0 159.6 3.4 31.9 10.5 12 12 A T E -D 21 0B 67 -2,-0.3 55,-0.5 9,-0.2 2,-0.3 -0.896 33.0-167.4-103.1 120.8 3.5 32.8 6.8 13 13 A I E -D 20 0B 0 7,-2.7 7,-1.9 -2,-0.6 2,-0.5 -0.723 16.3-139.4-107.1 157.3 6.5 34.8 5.8 14 14 A K E +DE 19 65B 92 51,-2.1 51,-2.4 -2,-0.3 2,-0.3 -0.981 35.0 155.6-115.9 119.1 7.3 36.7 2.5 15 15 A I E > -D 18 0B 2 3,-2.5 3,-2.0 -2,-0.5 49,-0.1 -0.955 64.8 -7.3-150.3 127.0 10.8 36.4 1.3 16 16 A G T 3 S- 0 0 55 47,-0.5 3,-0.1 -2,-0.3 21,-0.1 0.812 126.7 -58.4 59.9 31.0 12.4 36.7 -2.1 17 17 A G T 3 S+ 0 0 89 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.430 116.9 111.7 79.4 -0.1 8.9 36.9 -3.6 18 18 A Q E < -D 15 0B 79 -3,-2.0 -3,-2.5 2,-0.0 2,-0.5 -0.756 62.4-135.0-108.3 152.6 8.0 33.5 -2.1 19 19 A L E +D 14 0B 122 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.915 29.0 177.2-106.0 127.9 5.6 32.5 0.6 20 20 A K E -D 13 0B 25 -7,-1.9 -7,-2.7 -2,-0.5 2,-0.5 -0.969 30.1-127.0-133.3 147.6 6.8 30.0 3.2 21 21 A E E +D 12 0B 106 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.817 40.4 177.2 -90.8 129.1 5.4 28.5 6.4 22 22 A A E -D 11 0B 0 -11,-3.1 -11,-2.7 -2,-0.5 2,-0.5 -0.959 29.2-119.0-138.1 157.3 7.8 29.0 9.3 23 23 A L E -Df 10 84B 3 60,-2.7 62,-3.2 -2,-0.3 2,-1.1 -0.801 21.5-130.8 -99.2 126.0 8.0 28.3 13.0 24 24 A L E - f 0 85B 0 -15,-2.8 2,-0.6 -2,-0.5 62,-0.1 -0.659 38.6-173.5 -73.5 103.5 8.5 31.2 15.5 25 25 A D > + 0 0 12 60,-2.2 3,-1.4 -2,-1.1 62,-0.3 -0.839 29.7 178.1-115.2 104.1 11.4 29.7 17.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.660 87.2 61.0 -72.0 -17.0 12.8 31.3 20.6 27 27 A G T 3 S+ 0 0 18 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.477 89.3 85.9 -87.0 -4.2 15.3 28.4 20.8 28 28 A A < - 0 0 15 -3,-1.4 59,-3.0 57,-0.2 60,-0.2 -0.883 58.9-163.8-102.3 123.2 16.8 29.3 17.5 29 29 A D S S+ 0 0 56 -2,-0.5 59,-1.6 57,-0.2 2,-0.3 0.918 79.3 27.1 -66.9 -42.8 19.6 32.0 17.4 30 30 A D S S- 0 0 47 57,-0.2 2,-0.4 56,-0.2 57,-0.1 -0.778 86.4-103.5-121.5 163.3 19.1 32.4 13.6 31 31 A T E -g 75 0B 0 43,-0.7 45,-2.5 -2,-0.3 2,-0.4 -0.695 36.9-168.9 -83.2 131.7 16.5 32.0 11.0 32 32 A V E -gH 76 84B 6 52,-2.0 52,-3.0 -2,-0.4 2,-0.3 -0.982 4.5-175.7-129.6 120.9 16.9 28.8 8.9 33 33 A L E -g 77 0B 0 43,-2.9 45,-2.4 -2,-0.4 47,-0.2 -0.863 30.2-101.6-118.2 152.1 15.0 28.1 5.7 34 34 A E S S- 0 0 80 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.158 70.2 -54.3 -61.4 160.9 14.9 25.1 3.4 35 35 A E S S+ 0 0 112 43,-0.3 2,-0.3 42,-0.1 -1,-0.2 -0.047 79.5 138.7 -43.4 129.0 16.8 25.3 0.1 36 36 A M - 0 0 17 -3,-0.2 2,-0.4 2,-0.0 -3,-0.0 -0.966 52.3 -93.7-164.0 167.9 16.0 28.4 -1.9 37 37 A S + 0 0 96 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.781 39.7 174.8 -97.2 133.6 17.6 31.1 -4.0 38 38 A L - 0 0 13 -2,-0.4 2,-0.1 2,-0.1 -2,-0.0 -0.973 28.1-114.7-135.2 148.7 18.6 34.4 -2.5 39 39 A P + 0 0 99 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.437 69.9 30.7 -81.2 158.0 20.4 37.4 -3.9 40 40 A G S S- 0 0 47 -2,-0.1 2,-0.2 19,-0.1 -2,-0.1 -0.318 93.9 -39.8 94.3-178.1 23.8 38.6 -2.8 41 41 A R - 0 0 203 -2,-0.1 19,-0.6 19,-0.1 2,-0.3 -0.539 53.5-166.8 -87.0 153.6 27.0 37.1 -1.4 42 42 A W E -I 59 0B 122 -2,-0.2 17,-0.2 17,-0.1 -2,-0.0 -0.952 14.3-141.9-139.6 159.2 27.0 34.3 1.2 43 43 A K E -I 58 0B 77 15,-1.5 15,-3.1 -2,-0.3 2,-0.1 -0.952 28.7-114.4-121.9 138.0 29.4 32.5 3.6 44 44 A P E +I 57 0B 81 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.465 42.4 175.1 -70.5 147.9 29.3 28.7 4.3 45 45 A K E -I 56 0B 75 11,-2.2 11,-2.9 -2,-0.1 2,-0.5 -0.985 27.4-138.0-151.9 156.1 28.4 27.9 7.9 46 46 A M E -I 55 0B 118 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.984 20.5-172.5-121.0 124.9 27.7 24.8 10.1 47 47 A I E -I 54 0B 25 7,-2.3 7,-2.1 -2,-0.5 2,-0.3 -0.964 7.3-153.1-120.7 137.4 24.8 24.9 12.6 48 48 A G E +I 53 0B 42 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.809 26.1 136.9-113.4 153.1 24.1 22.3 15.2 49 49 A G E > -I 52 0B 20 3,-2.1 3,-2.1 -2,-0.3 2,-0.3 -0.777 65.0 -24.5-160.4-160.3 21.0 21.1 17.0 50 50 A I T 3 S+ 0 0 20 1,-0.3 101,-1.5 -2,-0.2 102,-0.7 -0.511 132.4 25.3 -65.9 124.0 19.3 17.9 18.1 51 51 A G T 3 S- 0 0 30 128,-0.5 2,-0.3 -2,-0.3 -1,-0.3 0.217 122.7 -86.1 106.0 -14.3 20.7 15.2 15.7 52 52 A G E < -I 49 0B 28 -3,-2.1 -3,-2.1 100,-0.1 99,-0.3 -0.811 66.0 -27.6 119.0-157.1 23.9 17.0 14.9 53 53 A F E -I 48 0B 136 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.679 39.2-164.7-105.7 153.5 25.0 19.6 12.4 54 54 A I E -I 47 0B 19 -7,-2.1 -7,-2.3 -2,-0.3 2,-0.4 -0.968 24.8-119.9-132.0 147.5 23.9 20.7 8.9 55 55 A K E +I 46 0B 138 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.758 38.7 174.4 -89.5 133.3 25.8 22.9 6.4 56 56 A V E -I 45 0B 3 -11,-2.9 -11,-2.2 -2,-0.4 2,-0.5 -0.888 32.8-118.3-136.2 163.7 24.1 26.1 5.4 57 57 A R E -IJ 44 77B 48 20,-2.4 20,-2.4 -2,-0.3 2,-0.6 -0.926 29.6-139.8-105.0 127.1 24.7 29.2 3.3 58 58 A Q E -IJ 43 76B 41 -15,-3.1 -15,-1.5 -2,-0.5 2,-0.5 -0.794 19.7-176.2 -94.8 117.9 24.6 32.5 5.3 59 59 A Y E -IJ 42 75B 12 16,-2.6 16,-2.8 -2,-0.6 3,-0.3 -0.936 9.1-158.2-111.9 130.2 22.9 35.5 3.6 60 60 A D E + 0 0 64 -19,-0.6 14,-0.2 -2,-0.5 -19,-0.1 -0.642 64.3 24.6-105.9 164.6 22.9 38.8 5.4 61 61 A Q E S+ 0 0 150 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.876 75.8 163.7 51.6 50.3 20.7 41.9 5.1 62 62 A I E - J 0 73B 13 11,-2.4 11,-1.8 -3,-0.3 2,-0.4 -0.838 35.7-130.0-101.1 130.3 17.6 40.0 3.7 63 63 A L E + J 0 72B 87 -2,-0.5 -47,-0.5 9,-0.2 2,-0.4 -0.653 31.1 177.9 -79.3 130.3 14.2 41.7 3.7 64 64 A I E - J 0 71B 0 7,-3.1 7,-3.1 -2,-0.4 2,-0.6 -0.996 22.3-147.1-137.8 130.0 11.4 39.5 5.3 65 65 A E E +EJ 14 70B 77 -51,-2.4 -51,-2.1 -2,-0.4 2,-0.3 -0.857 31.7 158.9 -96.5 125.1 7.8 40.2 5.8 66 66 A I E > - J 0 69B 0 3,-2.2 3,-1.9 -2,-0.6 -53,-0.1 -0.969 61.8 -7.2-151.7 128.4 6.4 38.5 8.9 67 67 A C T 3 S- 0 0 38 -55,-0.5 3,-0.1 -2,-0.3 -54,-0.1 0.838 127.7 -55.2 56.8 36.4 3.3 39.2 11.1 68 68 A G T 3 S+ 0 0 79 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.245 117.1 110.6 84.4 -15.4 2.6 42.5 9.3 69 69 A H E < - J 0 66B 75 -3,-1.9 -3,-2.2 24,-0.0 2,-0.6 -0.567 64.2-137.6 -92.4 158.3 6.1 43.8 9.9 70 70 A K E - J 0 65B 133 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.950 34.3-179.6-116.0 103.7 8.9 44.3 7.4 71 71 A A E - J 0 64B 5 -7,-3.1 -7,-3.1 -2,-0.6 2,-0.4 -0.756 22.0-144.9-109.5 157.1 12.1 43.1 9.0 72 72 A I E + J 0 63B 77 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.957 39.9 121.4-117.7 136.0 15.8 42.9 7.9 73 73 A G E - 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