==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-MAR-12 4E43 . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR C.D.STOUT . 204 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9891.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 36.8 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 2.9 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 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 2.9 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 . 1 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 4 2 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 1 0 1 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 83 0, 0.0 198,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 166.2 -0.5 39.1 18.2 2 2 A Q E -A 198 0A 132 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.973 360.0-163.3-106.8 126.8 -0.5 36.7 21.2 3 3 A I E -A 197 0A 35 194,-3.3 194,-2.5 -2,-0.5 2,-0.1 -0.949 4.9-150.5-115.9 119.2 0.4 33.2 20.2 4 4 A T - 0 0 73 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.400 13.7-132.7 -82.0 166.8 -0.3 30.3 22.5 5 5 A L S S+ 0 0 2 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.079 73.0 109.7-117.0 21.5 1.9 27.2 22.4 6 6 A W S S+ 0 0 195 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.826 93.2 22.1 -61.0 -33.9 -0.6 24.3 22.3 7 7 A K S S- 0 0 169 -3,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.817 110.9 -69.7-125.7 170.1 0.5 23.8 18.7 8 8 A R - 0 0 114 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.365 50.8-118.0 -59.1 134.7 3.7 24.6 16.8 9 9 A P + 0 0 4 0, 0.0 15,-2.7 0, 0.0 2,-0.4 -0.521 48.4 170.6 -78.9 76.0 3.9 28.4 16.3 10 10 A L E +D 23 0B 70 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.723 4.3 174.2 -89.1 134.9 3.8 28.3 12.5 11 11 A V E -D 22 0B 18 11,-2.9 11,-2.7 -2,-0.4 2,-0.4 -0.889 33.7-104.4-133.9 165.7 3.4 31.6 10.6 12 12 A T E -D 21 0B 90 -2,-0.3 55,-1.7 9,-0.2 2,-0.3 -0.771 38.5-176.9 -90.1 135.2 3.5 32.9 7.0 13 13 A I E -DE 20 66B 2 7,-2.8 7,-2.2 -2,-0.4 2,-0.4 -0.858 18.3-142.1-123.2 163.8 6.6 34.7 5.9 14 14 A K E +DE 19 65B 90 51,-2.1 51,-2.1 -2,-0.3 2,-0.3 -0.996 28.7 160.9-128.7 126.0 7.5 36.5 2.7 15 15 A I E > -DE 18 64B 2 3,-2.8 3,-0.8 -2,-0.4 49,-0.1 -0.976 65.2 -8.5-149.8 130.3 11.1 36.2 1.4 16 16 A G T 3 S- 0 0 58 47,-0.5 2,-0.7 -2,-0.3 3,-0.1 0.818 127.9 -57.3 55.3 34.3 12.7 36.8 -2.1 17 17 A G T 3 S+ 0 0 64 1,-0.2 -1,-0.3 0, 0.0 0, 0.0 -0.422 115.8 115.3 93.0 -54.2 9.2 37.0 -3.4 18 18 A Q E < -D 15 0B 90 -3,-0.8 -3,-2.8 -2,-0.7 2,-0.5 -0.086 60.3-139.0 -59.2 139.4 8.2 33.6 -2.1 19 19 A L E +D 14 0B 120 -5,-0.2 2,-0.3 -3,-0.1 -5,-0.2 -0.861 33.7 171.1 -93.4 132.5 5.5 33.0 0.5 20 20 A K E -D 13 0B 29 -7,-2.2 -7,-2.8 -2,-0.5 2,-0.4 -0.907 34.2-119.4-138.0 161.7 6.6 30.3 3.0 21 21 A E E +D 12 0B 126 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.875 37.7 178.2-100.4 139.4 5.5 28.7 6.3 22 22 A A E -D 11 0B 0 -11,-2.7 -11,-2.9 -2,-0.4 2,-0.5 -0.993 27.8-121.7-146.1 152.7 8.0 29.0 9.2 23 23 A L E -Df 10 84B 4 60,-3.0 62,-3.0 -2,-0.3 2,-0.7 -0.800 22.6-130.8 -96.5 125.5 8.3 28.1 12.8 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.5 62,-0.2 -0.671 34.7-173.1 -73.6 111.9 8.9 30.9 15.4 25 25 A D > + 0 0 0 60,-2.8 3,-1.5 -2,-0.7 62,-0.3 -0.855 26.2 179.2-125.0 96.6 11.8 29.3 17.3 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.680 85.6 62.4 -67.7 -19.6 13.1 31.0 20.5 27 27 A G T 3 S+ 0 0 2 81,-0.1 175,-1.6 96,-0.1 2,-0.5 0.500 88.1 88.5 -81.2 -5.7 15.7 28.1 20.9 28 28 A A < - 0 0 0 -3,-1.5 59,-3.0 173,-0.3 60,-0.2 -0.846 56.2-165.8 -99.5 124.5 17.4 29.1 17.6 29 29 A D S S+ 0 0 41 -2,-0.5 59,-1.2 57,-0.2 2,-0.2 0.885 79.1 37.9 -63.1 -39.1 20.2 31.6 17.5 30 30 A D S S- 0 0 39 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.699 82.6-114.1-119.6 158.5 19.8 31.9 13.7 31 31 A T - 0 0 0 43,-0.5 45,-2.8 -2,-0.2 2,-0.4 -0.835 36.0-173.2 -91.6 129.3 17.1 31.9 11.0 32 32 A V E -gH 76 84B 0 52,-1.7 52,-3.0 -2,-0.5 2,-0.3 -0.981 3.1-174.1-133.4 121.2 17.4 28.8 8.8 33 33 A L E -g 77 0B 0 43,-2.9 45,-2.3 -2,-0.4 47,-0.2 -0.821 31.4 -97.9-115.3 153.5 15.3 28.1 5.7 34 34 A E S S- 0 0 85 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.186 70.5 -56.8 -58.2 159.2 15.0 25.2 3.3 35 35 A E S S+ 0 0 112 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.076 79.2 133.8 -47.8 130.3 17.0 25.3 0.1 36 36 A M - 0 0 17 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.952 54.5 -99.3-166.5 162.6 16.4 28.3 -2.0 37 37 A N - 0 0 135 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.777 36.5-176.7 -92.3 139.0 18.3 31.0 -4.0 38 38 A L - 0 0 7 -2,-0.4 2,-0.1 2,-0.2 24,-0.0 -0.945 29.6-101.7-129.0 155.2 18.9 34.4 -2.4 39 39 A P S S+ 0 0 99 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.385 78.4 29.8 -74.7 153.6 20.6 37.5 -3.8 40 40 A G S S- 0 0 67 -2,-0.1 -2,-0.2 19,-0.1 2,-0.1 -0.260 96.3 -45.4 96.4 179.2 24.1 38.5 -2.9 41 41 A R - 0 0 222 -2,-0.1 19,-0.5 19,-0.0 2,-0.3 -0.483 53.7-163.9 -84.0 158.1 27.3 36.6 -1.9 42 42 A W E -I 59 0B 130 -2,-0.1 17,-0.2 17,-0.1 15,-0.0 -0.905 9.2-153.4-136.1 164.0 27.2 33.8 0.7 43 43 A K E -I 58 0B 113 15,-1.4 15,-3.2 -2,-0.3 2,-0.1 -0.986 29.2-103.7-137.5 150.3 29.7 31.9 2.9 44 44 A P E +I 57 0B 91 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.358 39.4 175.1 -74.8 153.3 29.5 28.4 4.3 45 45 A K E -I 56 0B 75 11,-2.0 11,-2.9 -2,-0.1 2,-0.5 -0.979 25.2-133.8-152.0 151.5 28.7 27.8 8.0 46 46 A M E -I 55 0B 116 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.956 22.9-173.7-110.2 131.5 28.0 24.8 10.2 47 47 A I E -I 54 0B 6 7,-2.4 7,-2.4 -2,-0.5 2,-0.3 -0.955 5.6-162.4-125.6 146.3 25.1 24.9 12.6 48 48 A G E +I 53 0B 16 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.797 24.9 124.0-128.6 164.5 24.2 22.4 15.3 49 49 A G E > -I 52 0B 8 3,-1.5 3,-2.3 -2,-0.3 2,-0.1 -0.911 69.4 -2.9-179.9-154.4 21.5 21.1 17.5 50 50 A I T 3 S+ 0 0 0 153,-0.3 101,-2.1 -2,-0.3 102,-0.6 -0.415 132.9 22.4 -54.7 125.8 19.7 17.9 18.3 51 51 A G T 3 S- 0 0 31 128,-0.4 2,-0.3 100,-0.2 -1,-0.3 0.255 120.4 -92.4 97.1 -11.4 21.1 15.3 15.9 52 52 A G E < -I 49 0B 28 -3,-2.3 -3,-1.5 100,-0.1 2,-0.3 -0.808 65.8 -24.6 108.3-147.7 24.4 17.1 15.3 53 53 A F E -I 48 0B 134 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.702 38.2-165.9-113.3 155.9 25.4 19.6 12.6 54 54 A I E -I 47 0B 22 -7,-2.4 -7,-2.4 -2,-0.3 2,-0.4 -0.971 25.9-120.4-132.4 150.7 24.5 20.6 9.1 55 55 A K E +I 46 0B 153 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.782 38.9 174.6 -90.0 132.1 26.3 22.8 6.5 56 56 A V E -I 45 0B 5 -11,-2.9 -11,-2.0 -2,-0.4 2,-0.5 -0.854 32.3-113.5-131.6 165.4 24.4 25.9 5.4 57 57 A R E -IJ 44 77B 47 20,-2.6 20,-2.1 -2,-0.3 2,-0.6 -0.909 28.7-142.0-102.8 129.8 25.0 28.9 3.3 58 58 A Q E -IJ 43 76B 30 -15,-3.2 -15,-1.4 -2,-0.5 2,-0.4 -0.825 17.9-176.5 -97.6 121.3 25.0 32.3 5.1 59 59 A Y E -IJ 42 75B 2 16,-2.5 16,-2.7 -2,-0.6 3,-0.3 -0.951 12.8-150.7-112.4 133.0 23.4 35.3 3.4 60 60 A D E + 0 0 76 -19,-0.5 14,-0.2 -2,-0.4 -19,-0.0 -0.632 67.4 20.5-101.1 159.3 23.6 38.7 5.1 61 61 A Q E S+ 0 0 165 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.870 77.2 164.4 57.3 44.4 21.2 41.8 4.9 62 62 A I E - J 0 73B 11 11,-2.5 11,-1.9 -3,-0.3 2,-0.4 -0.787 31.7-135.5 -95.4 132.8 18.2 39.8 3.7 63 63 A L E + J 0 72B 101 -2,-0.4 -47,-0.5 9,-0.2 2,-0.3 -0.756 28.6 172.7 -90.1 132.8 14.8 41.4 4.0 64 64 A I E -EJ 15 71B 1 7,-2.9 7,-2.6 -2,-0.4 2,-0.5 -0.958 25.7-142.6-135.1 151.7 11.9 39.2 5.3 65 65 A E E -EJ 14 70B 62 -51,-2.1 -51,-2.1 -2,-0.3 2,-0.5 -0.985 15.9-171.8-113.9 127.2 8.3 39.9 6.2 66 66 A I E > S-EJ 13 69B 0 3,-2.8 3,-2.3 -2,-0.5 -53,-0.2 -0.968 78.3 -25.2-121.8 112.6 7.0 38.0 9.2 67 67 A C T 3 S- 0 0 58 -55,-1.7 -1,-0.1 -2,-0.5 -54,-0.1 0.858 128.0 -52.4 49.1 37.6 3.2 38.4 9.8 68 68 A G T 3 S+ 0 0 59 1,-0.3 2,-0.6 -56,-0.2 -1,-0.3 0.477 112.5 123.6 78.6 2.4 3.6 41.7 7.9 69 69 A H E < - J 0 66B 70 -3,-2.3 -3,-2.8 2,-0.0 -1,-0.3 -0.875 59.4-134.9 -93.9 119.6 6.4 42.9 10.1 70 70 A K E + J 0 65B 150 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.499 30.5 172.3 -73.2 141.0 9.5 43.8 8.1 71 71 A A E - J 0 64B 6 -7,-2.6 -7,-2.9 -2,-0.2 2,-0.4 -0.988 16.8-156.9-150.2 141.1 12.8 42.5 9.4 72 72 A I E + J 0 63B 94 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.955 37.0 99.1-121.5 141.6 16.3 42.5 8.0 73 73 A G E - 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