==== 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 07-MAY-07 2PSV . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR C.A.SCHIFFER,M.N.L.NALAM . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9695.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 6.1 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 . 22 11.1 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 4 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 0 PARALLEL BRIDGES PER LADDER . 2 2 3 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 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 72 0, 0.0 198,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 161.6 28.0 22.4 34.7 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.952 360.0-161.9-100.8 131.2 24.2 22.6 34.5 3 3 A I E -A 197 0A 33 194,-3.2 194,-2.5 -2,-0.5 2,-0.1 -0.968 4.2-154.7-121.8 119.8 23.2 25.8 32.7 4 4 A T - 0 0 72 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.392 18.3-127.8 -84.0 171.4 19.8 27.3 32.9 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.096 76.2 106.0-119.7 23.0 18.4 29.5 30.1 6 6 A W S S+ 0 0 188 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.802 94.0 31.9 -67.1 -31.6 17.2 32.7 31.7 7 7 A K S S- 0 0 66 -3,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.814 110.6 -79.6-116.6 163.5 20.3 34.3 30.1 8 8 A R - 0 0 133 -2,-0.3 2,-2.4 1,-0.1 119,-0.1 -0.419 45.5-118.4 -58.9 132.3 22.1 33.4 26.9 9 9 A P + 0 0 3 0, 0.0 15,-2.7 0, 0.0 2,-0.4 -0.441 52.5 164.8 -74.8 70.8 24.3 30.3 27.5 10 10 A L E +D 23 0B 61 -2,-2.4 2,-0.3 13,-0.2 13,-0.2 -0.723 9.0 176.0 -89.5 136.5 27.6 32.2 26.7 11 11 A V E -D 22 0B 15 11,-2.7 11,-2.6 -2,-0.4 2,-0.4 -0.941 33.1-103.5-137.3 160.2 30.8 30.5 27.7 12 12 A T E -D 21 0B 85 -2,-0.3 55,-2.3 9,-0.2 2,-0.3 -0.700 38.3-172.4 -85.0 134.0 34.5 31.2 27.3 13 13 A I E -DE 20 66B 1 7,-3.1 7,-2.3 -2,-0.4 2,-0.5 -0.872 17.6-143.5-120.4 156.5 36.4 29.2 24.6 14 14 A R E +DE 19 65B 138 51,-1.9 51,-2.2 -2,-0.3 2,-0.3 -0.990 30.2 160.4-119.9 121.9 40.1 28.9 23.8 15 15 A I E > -DE 18 64B 2 3,-2.4 3,-2.5 -2,-0.5 49,-0.1 -0.999 66.2 -2.2-145.7 135.3 40.9 28.5 20.0 16 16 A G T 3 S- 0 0 55 47,-0.6 3,-0.1 -2,-0.3 -1,-0.1 0.790 131.0 -59.0 53.9 28.5 44.1 29.1 18.1 17 17 A G T 3 S+ 0 0 46 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.382 116.3 109.6 83.5 0.1 45.5 30.2 21.4 18 18 A Q E < -D 15 0B 130 -3,-2.5 -3,-2.4 0, 0.0 2,-0.4 -0.868 64.6-125.7-117.8 142.0 43.0 33.0 22.0 19 19 A L E +D 14 0B 107 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.660 35.2 165.7 -84.9 134.8 40.1 33.4 24.4 20 20 A K E -D 13 0B 57 -7,-2.3 -7,-3.1 -2,-0.4 2,-0.4 -0.930 35.4-118.1-139.0 161.3 36.6 34.2 23.0 21 21 A E E +D 12 0B 119 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.848 38.2 177.6 -97.2 138.3 33.0 34.3 24.2 22 22 A A E -D 11 0B 0 -11,-2.6 -11,-2.7 -2,-0.4 2,-0.5 -0.994 27.4-118.6-146.2 152.4 30.6 31.9 22.3 23 23 A L E -Df 10 84B 6 60,-2.9 62,-3.3 -2,-0.3 2,-0.7 -0.771 20.6-131.2 -95.2 126.4 27.0 30.8 22.5 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.5 62,-0.2 -0.673 35.6-174.5 -74.1 112.5 26.1 27.2 23.2 25 25 A D > + 0 0 17 60,-2.9 3,-1.8 -2,-0.7 62,-0.3 -0.833 26.0 178.5-126.9 94.1 23.6 26.7 20.3 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.713 85.6 62.1 -67.3 -20.5 21.6 23.5 20.1 27 27 A G T 3 S+ 0 0 19 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.375 89.2 87.1 -84.6 2.7 19.8 24.8 17.0 28 28 A A < - 0 0 11 -3,-1.8 59,-3.3 57,-0.2 60,-0.2 -0.923 57.1-167.3-104.4 125.4 23.1 25.0 15.1 29 29 A D S S+ 0 0 51 -2,-0.5 59,-1.7 57,-0.2 2,-0.2 0.882 78.3 37.9 -67.3 -40.8 24.3 22.0 13.3 30 30 A D S S- 0 0 64 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.712 85.5-111.8-117.0 157.7 27.8 23.5 12.9 31 31 A T - 0 0 0 43,-0.5 45,-2.7 -2,-0.2 2,-0.4 -0.812 37.4-173.5 -90.0 126.9 30.1 25.7 14.9 32 32 A V E -gH 76 84B 2 52,-1.6 52,-3.0 -2,-0.5 2,-0.3 -0.984 3.9-170.4-131.5 121.6 30.4 29.2 13.4 33 33 A L E -g 77 0B 0 43,-3.2 45,-2.4 -2,-0.4 47,-0.2 -0.834 28.3-104.6-112.8 147.1 32.8 31.9 14.5 34 34 A E - 0 0 90 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.148 68.4 -53.2 -59.3 161.8 33.0 35.5 13.6 35 35 A E S S+ 0 0 121 43,-0.2 2,-0.3 45,-0.2 -1,-0.2 -0.095 81.7 137.4 -44.4 125.9 35.8 36.7 11.2 36 36 A M - 0 0 22 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.967 53.0 -98.9-161.2 164.7 39.2 35.5 12.6 37 37 A N + 0 0 148 -2,-0.3 -2,-0.0 -21,-0.0 0, 0.0 -0.789 37.3 176.2 -90.5 135.0 42.5 34.0 11.4 38 38 A L - 0 0 16 -2,-0.4 -2,-0.0 2,-0.1 2,-0.0 -0.993 30.0-110.2-133.7 144.5 43.1 30.3 11.9 39 39 A P S S+ 0 0 103 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.323 71.8 25.5 -68.0 153.8 46.1 28.2 10.8 40 40 A G S S- 0 0 66 19,-0.1 -2,-0.1 2,-0.0 2,-0.1 -0.223 95.6 -31.4 95.4-178.0 46.0 25.7 8.0 41 41 A K - 0 0 94 -2,-0.1 19,-0.4 19,-0.1 2,-0.3 -0.376 53.3-170.3 -74.2 150.9 43.9 25.0 4.8 42 42 A W - 0 0 124 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.942 12.3-140.8-134.9 163.3 40.3 25.9 4.5 43 43 A K E -I 58 0B 43 15,-1.7 15,-3.2 -2,-0.3 2,-0.1 -0.977 26.1-111.1-122.6 136.6 37.5 25.2 2.0 44 44 A P E +I 57 0B 108 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.444 47.5 166.7 -60.3 137.2 34.8 27.6 0.8 45 45 A K E -I 56 0B 25 11,-2.2 11,-3.0 -2,-0.1 2,-0.4 -0.956 27.3-139.8-146.6 161.6 31.3 26.5 2.1 46 46 A M E -I 55 0B 130 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.981 17.8-176.3-125.1 141.4 27.8 28.0 2.3 47 47 A I E -I 54 0B 23 7,-2.0 7,-2.6 -2,-0.4 2,-0.3 -0.985 15.5-135.7-134.8 150.7 25.4 27.6 5.2 48 48 A G E +I 53 0B 43 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.805 27.1 157.3-105.8 143.6 21.8 28.7 5.8 49 49 A G E > -I 52 0B 22 3,-2.7 3,-1.2 -2,-0.3 2,-0.3 -0.565 59.1 -44.4-133.3-159.4 20.2 30.2 8.9 50 50 A I T 3 S+ 0 0 25 1,-0.2 101,-0.8 -2,-0.2 99,-0.4 -0.624 131.8 22.0 -70.5 132.5 17.2 32.3 9.6 51 51 A G T 3 S- 0 0 30 -2,-0.3 2,-0.3 128,-0.3 -1,-0.2 0.480 124.4 -71.7 84.7 -1.6 17.1 34.9 6.8 52 52 A G E < -I 49 0B 26 -3,-1.2 -3,-2.7 100,-0.1 99,-0.6 -0.754 65.5 -29.1 131.1-159.4 19.3 33.1 4.3 53 53 A F E -I 48 0B 152 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.727 39.3-171.7-107.4 145.4 22.7 31.8 3.3 54 54 A I E -I 47 0B 19 -7,-2.6 -7,-2.0 -2,-0.3 2,-0.4 -0.897 25.9-115.0-126.0 160.9 26.2 33.0 3.9 55 55 A K E +I 46 0B 167 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.821 39.0 176.3 -91.2 135.4 29.6 32.1 2.7 56 56 A V E -I 45 0B 6 -11,-3.0 -11,-2.2 -2,-0.4 2,-0.5 -0.884 32.5-118.4-132.3 165.3 32.0 30.7 5.3 57 57 A R E -IJ 44 77B 47 20,-2.5 20,-2.2 -2,-0.3 2,-0.7 -0.935 29.5-143.0-102.5 123.8 35.5 29.3 5.4 58 58 A Q E -IJ 43 76B 59 -15,-3.2 -15,-1.7 -2,-0.5 2,-0.5 -0.819 16.9-174.0 -93.7 114.1 35.6 25.6 6.6 59 59 A Y E - J 0 75B 9 16,-2.8 16,-3.1 -2,-0.7 3,-0.3 -0.932 14.2-149.3-103.6 126.0 38.5 24.7 8.8 60 60 A D E + 0 0 92 -2,-0.5 14,-0.2 -19,-0.4 13,-0.1 -0.660 65.8 8.4 -96.4 149.8 38.7 21.0 9.7 61 61 A Q E S+ 0 0 161 -2,-0.3 -1,-0.2 1,-0.2 13,-0.2 0.887 78.2 164.3 56.5 49.0 40.0 19.2 12.8 62 62 A I E - J 0 73B 19 11,-2.6 11,-2.2 -3,-0.3 2,-0.3 -0.869 34.6-129.2-100.1 121.2 40.5 22.4 14.9 63 63 A P E + J 0 72B 82 0, 0.0 -47,-0.6 0, 0.0 2,-0.3 -0.549 31.4 172.3 -67.4 131.6 41.0 22.1 18.7 64 64 A I E -EJ 15 71B 4 7,-2.3 7,-2.3 -2,-0.3 2,-0.6 -0.993 25.5-145.4-135.6 135.4 38.8 24.3 20.9 65 65 A E E -EJ 14 70B 82 -51,-2.2 -51,-1.9 -2,-0.3 2,-0.7 -0.923 19.4-164.1 -99.8 118.4 38.4 24.2 24.6 66 66 A I E > -EJ 13 69B 0 3,-3.0 3,-2.1 -2,-0.6 -53,-0.2 -0.910 69.3 -30.6-111.5 108.2 34.8 25.0 25.5 67 67 A C T 3 S- 0 0 52 -55,-2.3 -1,-0.2 -2,-0.7 -54,-0.1 0.880 128.3 -44.7 49.3 43.0 34.2 25.9 29.1 68 68 A G T 3 S+ 0 0 52 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.459 117.2 112.2 85.8 1.9 37.1 23.6 30.1 69 69 A H E < - J 0 66B 66 -3,-2.1 -3,-3.0 2,-0.0 2,-0.3 -0.934 64.4-126.8-112.4 130.2 36.1 20.7 27.9 70 70 A K E + J 0 65B 171 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.525 31.2 169.6 -80.5 133.5 38.3 19.7 24.9 71 71 A A E - 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