==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-JUN-08 3DK1 . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1; . AUTHOR Y.F.WANG,I.T.WEBER . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10113.0 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 . 73 36.9 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 . 23 11.6 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 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 88 0, 0.0 198,-2.0 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 165.5 -0.7 39.0 18.2 2 2 A Q E -A 198 0A 138 196,-0.2 2,-0.6 197,-0.2 196,-0.2 -0.981 360.0-153.7-107.7 117.8 -0.5 36.7 21.1 3 3 A I E -A 197 0A 31 194,-3.7 194,-2.2 -2,-0.6 2,-0.0 -0.885 5.3-138.4-104.0 125.0 0.5 33.3 19.9 4 4 A T - 0 0 67 -2,-0.6 3,-0.2 192,-0.2 192,-0.1 -0.229 1.9-147.2 -68.5 157.0 -0.5 30.2 21.8 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 -1,-0.1 0.285 75.9 99.2-112.5 13.3 2.0 27.4 22.2 6 6 A W S S+ 0 0 191 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.814 96.5 26.9 -61.2 -27.5 -0.5 24.6 22.2 7 7 A K S S- 0 0 155 -3,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.836 111.3 -73.1-125.7 165.5 0.5 24.1 18.6 8 8 A R - 0 0 138 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.380 49.3-119.7 -58.2 134.7 3.7 24.9 16.7 9 9 A P + 0 0 4 0, 0.0 15,-2.8 0, 0.0 2,-0.4 -0.503 49.1 169.1 -82.4 76.4 4.0 28.7 16.2 10 10 A L E +D 23 0B 88 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.714 8.0 174.9 -91.6 137.5 4.0 28.7 12.5 11 11 A V E -D 22 0B 17 11,-2.7 11,-2.6 -2,-0.4 2,-0.4 -0.915 33.8-103.7-133.5 164.7 3.7 31.9 10.5 12 12 A T E -D 21 0B 65 -2,-0.3 55,-2.7 9,-0.2 56,-0.3 -0.752 39.3-174.8 -86.6 135.0 3.8 32.9 6.8 13 13 A I E -DE 20 66B 2 7,-3.1 7,-2.3 -2,-0.4 2,-0.5 -0.881 19.5-144.1-123.2 157.3 7.0 34.6 5.7 14 14 A K E +DE 19 65B 97 51,-2.2 51,-2.4 -2,-0.3 2,-0.3 -0.995 30.0 160.1-121.7 124.0 8.0 36.2 2.4 15 15 A I E > -DE 18 64B 1 3,-2.5 3,-2.4 -2,-0.5 49,-0.1 -0.993 66.1 -3.6-145.7 131.9 11.7 35.8 1.5 16 16 A G T 3 S- 0 0 45 47,-0.6 3,-0.1 -2,-0.3 21,-0.1 0.803 129.8 -56.6 56.6 32.0 13.4 36.2 -1.9 17 17 A G T 3 S+ 0 0 65 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.429 116.6 114.7 78.6 2.1 10.0 36.8 -3.5 18 18 A Q E < -D 15 0B 82 -3,-2.4 -3,-2.5 2,-0.0 2,-0.4 -0.867 62.0-134.5-110.8 139.5 8.7 33.5 -2.1 19 19 A L E +D 14 0B 125 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.797 35.6 165.0 -89.1 132.6 6.0 32.6 0.5 20 20 A K E -D 13 0B 31 -7,-2.3 -7,-3.1 -2,-0.4 2,-0.4 -0.943 36.7-120.0-141.9 158.6 6.9 30.1 3.0 21 21 A E E +D 12 0B 106 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.878 38.3 176.5 -98.4 138.9 5.8 28.7 6.3 22 22 A A E -D 11 0B 0 -11,-2.6 -11,-2.7 -2,-0.4 2,-0.4 -0.980 29.1-114.6-145.4 154.8 8.3 29.1 9.2 23 23 A L E -Df 10 84B 9 60,-2.7 62,-3.1 -2,-0.3 2,-0.8 -0.756 21.4-132.1 -88.6 127.7 8.5 28.4 12.9 24 24 A L E - f 0 85B 2 -15,-2.8 2,-0.6 -2,-0.4 62,-0.2 -0.739 38.1-173.0 -77.0 108.4 9.0 31.3 15.4 25 25 A D > + 0 0 14 60,-2.7 3,-1.6 -2,-0.8 62,-0.3 -0.841 30.2 179.6-124.9 98.3 11.8 29.7 17.3 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.694 86.6 61.4 -67.0 -17.9 13.2 31.3 20.5 27 27 A G T 3 S+ 0 0 18 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.464 88.2 85.8 -86.0 -3.6 15.7 28.4 20.8 28 28 A A < - 0 0 17 -3,-1.6 59,-3.0 57,-0.2 60,-0.2 -0.873 58.6-163.9-102.6 121.2 17.4 29.3 17.5 29 29 A D S S+ 0 0 53 -2,-0.5 59,-1.4 57,-0.2 2,-0.3 0.903 78.2 30.1 -64.8 -39.1 20.1 31.9 17.5 30 30 A D S S- 0 0 53 57,-0.2 2,-0.4 56,-0.1 57,-0.2 -0.762 86.7-103.7-122.7 160.8 19.9 32.3 13.7 31 31 A T E -g 75 0B 0 43,-0.5 45,-2.7 -2,-0.3 2,-0.4 -0.735 34.9-169.8 -86.8 129.4 17.3 32.1 11.0 32 32 A V E -gH 76 84B 6 52,-2.0 52,-3.1 -2,-0.4 2,-0.4 -0.991 3.0-173.9-132.0 121.1 17.5 28.9 8.9 33 33 A I E -g 77 0B 0 43,-2.9 45,-2.3 -2,-0.4 47,-0.2 -0.895 30.7-103.7-118.7 143.2 15.6 28.4 5.6 34 34 A E - 0 0 73 -2,-0.4 -1,-0.1 43,-0.2 49,-0.0 -0.128 67.6 -56.4 -58.9 161.0 15.3 25.3 3.4 35 35 A E S S+ 0 0 105 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.100 79.6 132.7 -52.3 129.4 17.3 25.3 0.2 36 36 A M - 0 0 16 -3,-0.2 2,-0.3 2,-0.0 -3,-0.1 -0.941 55.4 -96.5-162.9 162.0 16.5 28.3 -2.1 37 37 A S - 0 0 102 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.728 36.5-178.9 -85.7 140.9 18.4 30.9 -4.1 38 38 A L - 0 0 16 -2,-0.3 2,-0.1 2,-0.1 24,-0.0 -0.973 28.2-110.3-131.0 150.0 19.1 34.3 -2.6 39 39 A P S S+ 0 0 101 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.365 71.9 28.2 -77.3 159.3 20.9 37.2 -4.3 40 40 A G S S- 0 0 63 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.315 95.0 -27.3 93.9-174.4 24.3 38.5 -3.2 41 41 A R - 0 0 230 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.419 54.4-179.0 -76.5 151.0 27.3 37.1 -1.6 42 42 A W E -I 59 0B 134 17,-0.2 17,-0.2 -2,-0.1 15,-0.0 -0.956 12.9-157.0-142.8 166.0 27.4 34.2 0.8 43 43 A K E -I 58 0B 110 15,-1.4 15,-3.1 -2,-0.3 2,-0.1 -0.980 30.3-100.1-139.7 153.7 29.9 32.2 2.9 44 44 A P E +I 57 0B 92 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.380 40.7 173.0 -76.2 151.9 29.8 28.7 4.3 45 45 A K E -I 56 0B 70 11,-2.1 11,-2.9 -2,-0.1 2,-0.4 -0.983 25.0-137.9-149.4 153.2 28.9 28.0 7.9 46 46 A M E -I 55 0B 118 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.974 20.9-173.8-113.9 133.5 28.2 25.0 10.1 47 47 A I E -I 54 0B 25 7,-2.3 7,-2.5 -2,-0.4 2,-0.3 -0.961 8.2-151.6-129.8 144.9 25.3 25.0 12.6 48 48 A G E +I 53 0B 38 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.892 26.5 136.2-125.0 144.7 24.5 22.4 15.2 49 49 A G E > -I 52 0B 19 3,-2.2 3,-2.2 -2,-0.3 2,-0.2 -0.749 65.1 -22.8-155.0-157.4 21.5 21.1 17.0 50 50 A I T 3 S+ 0 0 21 1,-0.3 101,-2.1 -2,-0.2 102,-0.6 -0.455 133.0 24.8 -62.3 135.7 20.0 17.8 18.0 51 51 A G T 3 S- 0 0 33 128,-0.4 2,-0.3 100,-0.2 -1,-0.3 0.296 122.8 -89.1 89.4 -10.7 21.4 15.2 15.7 52 52 A G E < -I 49 0B 27 -3,-2.2 -3,-2.2 100,-0.1 2,-0.3 -0.774 65.3 -24.4 112.8-153.6 24.6 17.2 14.9 53 53 A F E -I 48 0B 134 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.3 -0.679 37.8-164.3-108.0 154.1 25.6 19.7 12.4 54 54 A I E -I 47 0B 19 -7,-2.5 -7,-2.3 -2,-0.3 2,-0.4 -0.964 24.8-120.7-125.5 151.5 24.5 20.8 8.9 55 55 A K E +I 46 0B 151 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.769 38.1 175.6 -88.7 133.5 26.4 23.0 6.4 56 56 A V E -I 45 0B 3 -11,-2.9 -11,-2.1 -2,-0.4 2,-0.5 -0.859 32.3-115.1-131.8 164.7 24.6 26.1 5.4 57 57 A R E -IJ 44 77B 48 20,-2.7 20,-2.4 -2,-0.3 2,-0.6 -0.927 27.9-143.2 -99.8 128.2 25.2 29.2 3.2 58 58 A Q E -IJ 43 76B 30 -15,-3.1 -15,-1.4 -2,-0.5 2,-0.5 -0.845 18.1-176.1 -98.2 114.5 25.2 32.5 5.2 59 59 A Y E -IJ 42 75B 9 16,-2.7 16,-2.7 -2,-0.6 3,-0.3 -0.949 12.1-152.4-107.5 126.7 23.6 35.4 3.3 60 60 A D E + 0 0 72 -19,-0.5 14,-0.2 -2,-0.5 -19,-0.1 -0.619 67.2 22.7 -97.9 158.8 23.8 38.8 5.1 61 61 A Q E S+ 0 0 162 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.935 77.1 159.0 56.8 51.4 21.4 41.8 4.8 62 62 A I E - J 0 73B 17 11,-2.7 11,-2.0 -3,-0.3 2,-0.4 -0.907 34.7-136.5-103.6 132.5 18.4 39.9 3.6 63 63 A I E - J 0 72B 96 -2,-0.5 -47,-0.6 9,-0.2 2,-0.4 -0.729 24.1-179.4 -90.3 135.4 14.9 41.3 4.0 64 64 A I E -EJ 15 71B 0 7,-3.0 7,-2.0 -2,-0.4 2,-0.6 -0.999 23.1-143.3-132.2 135.2 12.1 39.0 5.2 65 65 A E E -EJ 14 70B 89 -51,-2.4 -51,-2.2 -2,-0.4 2,-0.5 -0.901 21.3-167.1 -94.3 119.8 8.5 39.8 5.9 66 66 A I E > S-EJ 13 69B 0 3,-2.8 3,-2.0 -2,-0.6 -53,-0.2 -0.969 71.0 -29.6-118.2 112.2 7.4 37.8 9.0 67 67 A A T 3 S- 0 0 40 -55,-2.7 -1,-0.2 -2,-0.5 -54,-0.1 0.870 130.2 -45.6 44.6 42.4 3.6 37.6 9.6 68 68 A G T 3 S+ 0 0 55 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.512 117.1 114.3 85.8 2.5 3.4 41.1 7.8 69 69 A H E < - J 0 66B 75 -3,-2.0 -3,-2.8 2,-0.0 2,-0.3 -0.926 59.7-137.6-110.6 121.0 6.4 42.6 9.6 70 70 A K E + J 0 65B 133 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.528 30.1 163.8 -81.7 139.4 9.5 43.5 7.6 71 71 A A E - J 0 64B 2 -7,-2.0 -7,-3.0 -2,-0.3 2,-0.4 -0.994 23.0-145.3-147.5 155.3 12.9 42.8 9.1 72 72 A I E + J 0 63B 75 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.953 39.5 101.4-124.5 142.9 16.5 42.6 7.8 73 73 A G E - 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