==== 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 2PSU . 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) . 9632.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 65.7 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 . 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 . 25 12.6 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 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 71 0, 0.0 198,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 161.7 27.8 22.3 34.7 2 2 A Q E -A 198 0A 132 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.939 360.0-160.8 -97.8 129.0 24.0 22.6 34.6 3 3 A I E -A 197 0A 30 194,-3.4 194,-2.8 -2,-0.5 2,-0.1 -0.964 3.2-155.2-120.2 120.4 23.1 25.7 32.6 4 4 A T - 0 0 72 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.429 15.0-132.4 -85.5 169.1 19.6 27.3 32.9 5 5 A L S S+ 0 0 0 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.204 76.4 102.5-120.0 14.8 18.2 29.4 30.1 6 6 A W S S+ 0 0 190 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.757 95.7 38.0 -65.9 -22.9 16.8 32.6 31.7 7 7 A K S S- 0 0 67 -3,-0.3 0, 0.0 180,-0.0 0, 0.0 -0.839 110.1 -84.2-116.6 160.4 20.1 34.1 30.3 8 8 A R - 0 0 127 -2,-0.3 2,-2.6 1,-0.1 119,-0.1 -0.463 44.1-118.1 -59.6 130.7 21.9 33.4 27.0 9 9 A P + 0 0 4 0, 0.0 15,-2.6 0, 0.0 2,-0.4 -0.403 52.4 165.8 -73.8 70.5 24.1 30.3 27.5 10 10 A L E +D 23 0B 64 -2,-2.6 2,-0.3 13,-0.2 13,-0.2 -0.739 8.3 176.0 -89.5 132.4 27.3 32.3 26.8 11 11 A V E -D 22 0B 14 11,-2.8 11,-2.5 -2,-0.4 2,-0.4 -0.916 33.1-106.1-133.7 159.3 30.6 30.5 27.7 12 12 A T E -D 21 0B 81 -2,-0.3 55,-2.1 9,-0.2 2,-0.3 -0.717 37.0-170.1 -84.2 134.5 34.3 31.3 27.4 13 13 A I E -DE 20 66B 1 7,-3.3 7,-2.3 -2,-0.4 2,-0.5 -0.865 15.6-144.2-118.4 156.5 36.1 29.3 24.7 14 14 A R E +DE 19 65B 148 51,-1.9 51,-2.3 -2,-0.3 2,-0.3 -0.993 30.3 159.0-119.6 122.0 39.9 28.9 24.0 15 15 A I E > -DE 18 64B 1 3,-2.6 3,-2.6 -2,-0.5 49,-0.1 -0.996 67.0 -2.3-145.9 135.6 40.8 28.6 20.3 16 16 A G T 3 S- 0 0 59 47,-0.6 3,-0.1 -2,-0.3 -1,-0.1 0.795 130.1 -59.9 54.8 28.6 44.1 29.2 18.5 17 17 A G T 3 S+ 0 0 59 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.370 115.9 112.9 80.8 -1.3 45.4 30.4 21.9 18 18 A Q E < -D 15 0B 124 -3,-2.6 -3,-2.6 0, 0.0 2,-0.4 -0.801 63.0-130.4-110.3 144.5 42.8 33.1 22.2 19 19 A L E +D 14 0B 128 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.795 33.5 167.3 -92.4 133.4 39.9 33.5 24.6 20 20 A K E -D 13 0B 57 -7,-2.3 -7,-3.3 -2,-0.4 2,-0.4 -0.914 34.7-119.4-136.5 161.3 36.4 34.3 23.1 21 21 A E E +D 12 0B 118 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.885 37.9 176.3-100.9 137.6 32.8 34.3 24.3 22 22 A A E -D 11 0B 0 -11,-2.5 -11,-2.8 -2,-0.4 2,-0.5 -0.976 28.1-116.6-145.5 153.7 30.5 32.0 22.4 23 23 A L E -Df 10 84B 6 60,-2.9 62,-3.3 -2,-0.3 2,-0.7 -0.799 20.5-131.0 -98.8 125.4 26.9 30.9 22.5 24 24 A L E - f 0 85B 0 -15,-2.6 2,-0.6 -2,-0.5 62,-0.1 -0.662 35.7-175.0 -73.5 112.4 25.9 27.3 23.2 25 25 A D > + 0 0 17 60,-2.5 3,-1.7 -2,-0.7 62,-0.3 -0.844 26.0 177.6-127.6 91.8 23.5 26.8 20.3 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.706 84.4 64.3 -67.5 -18.4 21.5 23.5 20.1 27 27 A G T 3 S+ 0 0 22 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.408 89.1 84.8 -83.0 1.6 19.7 25.0 17.0 28 28 A A < - 0 0 12 -3,-1.7 59,-3.1 57,-0.2 60,-0.2 -0.921 57.2-166.8-107.3 126.5 23.0 25.0 15.1 29 29 A D S S+ 0 0 48 -2,-0.5 59,-1.5 57,-0.2 2,-0.2 0.865 78.8 40.1 -67.5 -38.0 24.3 22.0 13.3 30 30 A D S S- 0 0 66 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.723 84.2-113.1-119.4 159.8 27.7 23.6 12.9 31 31 A T - 0 0 0 43,-0.5 45,-2.8 -2,-0.2 2,-0.5 -0.838 36.2-175.3 -95.8 123.9 30.0 25.8 14.9 32 32 A V E -gH 76 84B 2 52,-1.5 52,-2.8 -2,-0.5 2,-0.3 -0.985 3.8-170.4-130.4 120.0 30.4 29.2 13.4 33 33 A L E -g 77 0B 0 43,-3.2 45,-2.3 -2,-0.5 47,-0.2 -0.819 29.0-103.3-110.9 150.8 32.7 31.9 14.6 34 34 A E - 0 0 88 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.204 67.9 -54.9 -64.4 161.7 33.0 35.6 13.7 35 35 A E S S+ 0 0 118 43,-0.2 2,-0.3 45,-0.1 -1,-0.2 -0.081 81.6 138.2 -44.2 126.3 35.7 36.7 11.4 36 36 A M - 0 0 20 -3,-0.2 2,-0.5 2,-0.0 -3,-0.1 -0.958 53.1 -98.0-161.6 166.0 39.1 35.6 12.8 37 37 A N + 0 0 145 -2,-0.3 -2,-0.0 -21,-0.0 0, 0.0 -0.847 37.7 174.1 -95.3 129.6 42.4 34.2 11.7 38 38 A L - 0 0 17 -2,-0.5 2,-0.1 2,-0.1 -2,-0.0 -0.978 29.5-112.9-128.8 147.0 43.0 30.4 12.1 39 39 A P + 0 0 99 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.359 67.8 20.8 -75.8 157.5 46.1 28.5 10.8 40 40 A G S S- 0 0 64 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.245 96.5 -17.6 92.6-172.4 46.2 25.9 8.1 41 41 A K + 0 0 93 -2,-0.1 19,-0.4 19,-0.1 2,-0.3 -0.335 55.2 178.5 -68.8 146.4 44.0 24.9 5.1 42 42 A W - 0 0 127 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.949 15.0-146.1-139.8 164.1 40.4 25.9 4.7 43 43 A K E -I 58 0B 46 15,-1.4 15,-2.8 -2,-0.3 2,-0.2 -0.983 26.9-107.2-129.7 141.0 37.8 25.4 2.1 44 44 A P E +I 57 0B 110 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.473 47.5 166.0 -64.4 137.8 35.0 27.7 0.9 45 45 A K E -I 56 0B 25 11,-2.3 11,-2.9 -2,-0.2 2,-0.4 -0.937 27.2-137.9-144.0 164.8 31.5 26.6 2.1 46 46 A M E -I 55 0B 130 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.992 18.3-175.5-126.9 139.4 28.0 28.0 2.4 47 47 A I E -I 54 0B 23 7,-1.9 7,-2.6 -2,-0.4 2,-0.3 -0.978 15.2-134.8-133.2 151.3 25.5 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 -0.782 25.3 162.3-105.8 145.0 21.9 28.6 5.8 49 49 A G E > -I 52 0B 25 3,-2.5 3,-0.7 -2,-0.3 102,-0.1 -0.573 59.4 -60.9-135.1-154.4 20.3 30.2 8.8 50 50 A I T 3 S+ 0 0 30 1,-0.2 101,-0.2 -2,-0.2 3,-0.1 0.805 131.3 38.9 -71.2 -30.0 17.1 32.1 9.6 51 51 A G T 3 S- 0 0 24 99,-2.3 2,-0.3 1,-0.3 100,-0.3 0.375 122.0 -84.4-103.5 2.3 17.8 35.0 7.2 52 52 A G E < -I 49 0B 26 -3,-0.7 -3,-2.5 98,-0.7 -1,-0.3 -0.912 65.0 -31.1 130.5-155.5 19.3 33.1 4.3 53 53 A F E -I 48 0B 149 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.745 43.0-171.4-109.9 149.5 22.8 31.8 3.3 54 54 A I E -I 47 0B 20 -7,-2.6 -7,-1.9 -2,-0.3 2,-0.4 -0.889 25.4-116.1-128.8 160.5 26.3 33.0 4.0 55 55 A K E +I 46 0B 160 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.831 38.8 175.0 -93.3 137.2 29.8 32.1 2.8 56 56 A V E -I 45 0B 6 -11,-2.9 -11,-2.3 -2,-0.4 2,-0.5 -0.892 33.1-117.1-134.4 165.0 32.2 30.8 5.4 57 57 A R E -IJ 44 77B 46 20,-2.4 20,-2.2 -2,-0.3 2,-0.7 -0.939 29.6-142.6-102.7 126.3 35.7 29.3 5.6 58 58 A Q E -IJ 43 76B 61 -15,-2.8 -15,-1.4 -2,-0.5 2,-0.5 -0.825 16.1-172.7 -95.2 113.3 35.7 25.7 6.8 59 59 A Y E - J 0 75B 8 16,-3.1 16,-2.9 -2,-0.7 3,-0.4 -0.924 14.7-150.2-101.7 123.4 38.5 24.7 9.0 60 60 A D E + 0 0 91 -2,-0.5 14,-0.2 -19,-0.4 13,-0.1 -0.655 66.0 9.6 -95.1 150.8 38.7 21.0 9.8 61 61 A Q E S+ 0 0 165 -2,-0.3 -1,-0.2 1,-0.2 13,-0.2 0.868 78.9 163.8 57.2 48.9 40.0 19.3 12.9 62 62 A I E - J 0 73B 22 11,-3.0 11,-2.1 -3,-0.4 2,-0.3 -0.861 34.3-129.8-101.5 122.9 40.4 22.4 15.0 63 63 A P E + J 0 72B 81 0, 0.0 -47,-0.6 0, 0.0 2,-0.3 -0.554 30.7 172.2 -70.0 131.8 40.9 22.1 18.8 64 64 A I E -EJ 15 71B 4 7,-2.5 7,-2.4 -2,-0.3 2,-0.6 -0.994 25.5-145.0-134.4 138.2 38.6 24.3 21.0 65 65 A E E -EJ 14 70B 86 -51,-2.3 -51,-1.9 -2,-0.3 2,-0.7 -0.919 19.1-165.1-101.3 120.0 38.2 24.2 24.8 66 66 A I E > -EJ 13 69B 0 3,-3.4 3,-1.7 -2,-0.6 -53,-0.2 -0.903 69.2 -30.2-114.4 105.1 34.6 25.0 25.6 67 67 A C T 3 S- 0 0 53 -55,-2.1 -1,-0.2 -2,-0.7 -54,-0.1 0.896 128.3 -44.3 53.9 43.6 34.0 25.8 29.2 68 68 A G T 3 S+ 0 0 57 -56,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.396 118.2 111.3 85.8 -3.1 36.9 23.6 30.3 69 69 A H E < - J 0 66B 67 -3,-1.7 -3,-3.4 2,-0.0 2,-0.3 -0.908 64.0-128.5-109.9 131.8 35.9 20.7 28.0 70 70 A K E + J 0 65B 83 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.566 29.3 170.5 -82.9 134.3 38.1 19.8 25.0 71 71 A A E - 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