==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-APR-10 3MIM . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR A.DAS . 208 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9678.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 37.5 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 . 26 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 6.7 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 . 4 0 5 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 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 63 0, 0.0 198,-1.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 118.1 -27.6 30.7 25.3 2 2 A Q E -A 198 0A 133 196,-0.2 2,-0.5 194,-0.0 196,-0.3 -0.783 360.0-157.6 -95.0 140.0 -25.1 31.3 28.1 3 3 A V E -A 197 0A 39 194,-3.1 194,-4.4 -2,-0.4 2,-0.1 -0.965 3.7-157.5-123.6 121.9 -23.7 28.2 29.8 4 4 A T E -A 196 0A 72 -2,-0.5 3,-0.3 192,-0.2 192,-0.2 -0.475 19.6-129.3 -86.2 167.3 -22.2 28.1 33.4 5 5 A L S S+ 0 0 1 190,-0.6 186,-0.2 1,-0.2 185,-0.1 0.094 72.7 109.4-112.7 25.5 -19.8 25.3 34.4 6 6 A W S S+ 0 0 188 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.750 92.9 26.6 -70.5 -21.1 -21.0 23.9 37.7 7 7 A Q S S- 0 0 150 -3,-0.3 0, 0.0 3,-0.0 0, 0.0 -0.887 111.6 -72.4-132.6 163.2 -22.0 20.7 35.7 8 8 A R - 0 0 102 -2,-0.3 2,-1.9 1,-0.1 119,-0.1 -0.335 47.9-120.2 -57.0 136.9 -20.6 19.2 32.5 9 9 A P + 0 0 5 0, 0.0 15,-2.9 0, 0.0 2,-0.3 -0.537 47.7 171.4 -81.5 77.0 -21.6 21.4 29.5 10 10 A L E -D 23 0B 99 -2,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.681 9.2-178.7 -91.1 146.7 -23.5 18.7 27.6 11 11 A V E -D 22 0B 16 11,-2.5 11,-2.5 -2,-0.3 2,-0.4 -0.938 30.0-111.1-139.0 159.1 -25.6 19.4 24.4 12 12 A T E -D 21 0B 77 -2,-0.3 55,-2.5 9,-0.2 2,-0.3 -0.755 37.0-172.6 -89.2 137.3 -27.7 17.3 22.1 13 13 A I E -DE 20 66B 1 7,-2.8 7,-2.3 -2,-0.4 2,-0.4 -0.898 17.0-150.7-126.6 159.1 -26.3 16.8 18.6 14 14 A K E +DE 19 65B 102 51,-1.8 51,-2.6 -2,-0.3 2,-0.3 -0.993 28.7 157.1-128.7 123.5 -27.7 15.3 15.5 15 15 A I E > +DE 18 64B 2 3,-2.4 3,-2.4 -2,-0.4 49,-0.1 -0.995 64.6 4.2-149.1 139.1 -25.2 13.7 13.0 16 16 A G T 3 S- 0 0 41 47,-0.6 3,-0.1 -2,-0.3 -1,-0.1 0.866 129.7 -60.6 53.5 39.4 -25.6 11.1 10.3 17 17 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.3 -3,-0.0 2,-0.3 0.374 116.8 110.9 69.8 -0.2 -29.4 11.1 11.0 18 18 A Q E < -D 15 0B 60 -3,-2.4 -3,-2.4 19,-0.1 2,-0.4 -0.741 63.3-131.9-107.8 152.8 -28.7 10.0 14.7 19 19 A L E +D 14 0B 132 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.878 33.2 162.2-106.7 133.9 -29.1 11.9 18.0 20 20 A K E -D 13 0B 47 -7,-2.3 -7,-2.8 -2,-0.4 2,-0.4 -0.885 36.8-117.8-141.0 166.7 -26.3 11.9 20.6 21 21 A E E -D 12 0B 109 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.910 37.3-179.5-104.3 142.2 -25.2 13.8 23.7 22 22 A A E -D 11 0B 1 -11,-2.5 -11,-2.5 -2,-0.4 2,-0.5 -0.991 27.2-118.1-146.0 151.8 -21.8 15.5 23.5 23 23 A L E -Df 10 84B 5 60,-2.7 62,-2.8 -2,-0.3 2,-0.6 -0.756 22.6-130.3 -92.6 125.9 -19.5 17.6 25.7 24 24 A L E - f 0 85B 1 -15,-2.9 2,-0.5 -2,-0.5 62,-0.1 -0.641 36.4-171.4 -71.1 119.6 -18.7 21.2 24.6 25 25 A D > + 0 0 0 60,-2.5 3,-1.9 -2,-0.6 62,-0.3 -0.804 28.5 178.0-129.4 95.8 -14.9 21.0 25.0 26 26 A T T 3 S+ 0 0 0 -2,-0.5 -1,-0.1 1,-0.3 98,-0.1 0.652 84.7 63.4 -68.0 -14.1 -12.7 24.1 24.8 27 27 A G T 3 S+ 0 0 1 81,-0.1 180,-1.2 96,-0.1 2,-0.5 0.466 88.6 83.0 -89.1 -0.5 -9.7 22.0 25.5 28 28 A A B < -K 206 0C 0 -3,-1.9 59,-3.1 57,-0.2 178,-0.2 -0.895 56.0-165.5-111.0 128.8 -10.0 19.9 22.4 29 29 A D S S+ 0 0 25 176,-1.7 59,-1.6 -2,-0.5 2,-0.2 0.924 79.4 39.1 -70.5 -44.4 -8.7 21.0 19.0 30 30 A D S S- 0 0 41 175,-0.3 2,-0.5 57,-0.2 57,-0.2 -0.587 83.6-113.0-107.0 165.3 -10.8 18.4 17.2 31 31 A T - 0 0 0 43,-0.5 45,-2.9 -2,-0.2 2,-0.4 -0.856 34.4-174.9 -98.6 129.4 -14.2 16.8 17.5 32 32 A V E -gH 76 84B 0 52,-1.5 52,-3.1 -2,-0.5 2,-0.3 -0.970 3.8-172.0-133.6 121.1 -14.2 13.1 18.5 33 33 A L E -g 77 0B 0 43,-3.5 45,-2.5 -2,-0.4 47,-0.2 -0.823 31.1-103.0-113.5 150.2 -17.2 10.8 18.7 34 34 A E - 0 0 82 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.279 68.3 -63.1 -61.6 152.6 -17.6 7.3 20.1 35 35 A E S S+ 0 0 118 43,-0.4 2,-0.3 45,-0.1 -1,-0.2 -0.046 77.0 155.5 -40.1 126.6 -17.7 4.6 17.4 36 36 A M - 0 0 12 -3,-0.2 2,-0.8 2,-0.0 -3,-0.0 -0.966 49.1 -89.3-152.1 165.4 -20.8 5.2 15.4 37 37 A S + 0 0 84 -2,-0.3 -19,-0.1 -21,-0.1 -2,-0.0 -0.728 49.3 165.4 -87.6 111.6 -22.2 4.5 11.9 38 38 A L - 0 0 20 -2,-0.8 2,-0.2 2,-0.1 -2,-0.0 -0.923 32.2-122.2-121.3 149.5 -21.2 7.3 9.5 39 39 A P + 0 0 94 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.576 63.3 29.2 -89.2 153.9 -21.5 7.0 5.7 40 40 A G S S- 0 0 64 -2,-0.2 2,-0.1 19,-0.0 -2,-0.1 -0.296 86.9 -40.6 101.7 177.1 -18.5 7.4 3.4 41 41 A R + 0 0 205 -2,-0.1 19,-0.3 19,-0.0 2,-0.3 -0.410 52.4 176.8 -83.2 160.9 -14.8 7.2 3.0 42 42 A W - 0 0 84 17,-0.1 17,-0.2 -2,-0.1 15,-0.1 -0.899 23.7-121.2-153.3 178.7 -12.3 8.1 5.8 43 43 A K E -I 58 0B 91 15,-1.0 15,-3.1 -2,-0.3 2,-0.2 -0.985 28.1-113.5-133.4 141.5 -8.6 8.2 6.6 44 44 A P E +I 57 0B 91 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.489 45.8 163.0 -72.4 140.7 -6.8 6.5 9.6 45 45 A K E -I 56 0B 75 11,-2.0 11,-4.2 -2,-0.2 2,-0.4 -0.987 29.5-135.5-157.3 157.3 -5.3 8.9 12.1 46 46 A M E -I 55 0B 134 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.944 18.7-179.4-120.7 143.7 -4.0 9.1 15.6 47 47 A I E -I 54 0B 6 7,-2.0 7,-2.2 -2,-0.4 2,-0.3 -0.969 13.5-142.9-137.3 150.6 -4.7 11.6 18.3 48 48 A G E +I 53 0B 7 -2,-0.3 158,-3.0 5,-0.2 5,-0.2 -0.749 24.3 152.0-115.2 166.8 -3.5 12.0 21.8 49 49 A G E > -I 52 0B 6 3,-2.6 3,-1.5 -2,-0.3 2,-0.3 -0.812 62.2 -37.1-161.5-163.6 -4.8 13.1 25.2 50 50 A I T 3 S+ 0 0 1 158,-0.4 101,-1.9 -2,-0.2 102,-0.6 -0.592 131.3 31.1 -69.8 134.9 -4.2 12.4 28.8 51 51 A G T 3 S- 0 0 29 128,-0.3 2,-0.4 -2,-0.3 102,-0.3 0.110 123.3 -84.6 103.4 -22.8 -3.5 8.7 29.0 52 52 A G E < -I 49 0B 26 -3,-1.5 -3,-2.6 100,-0.2 2,-0.3 -0.967 66.6 -30.6 129.8-142.8 -1.8 8.4 25.6 53 53 A F E -I 48 0B 151 -2,-0.4 2,-0.3 98,-0.3 -5,-0.2 -0.800 36.8-165.5-121.0 161.9 -3.1 8.0 22.0 54 54 A I E -I 47 0B 20 -7,-2.2 -7,-2.0 -2,-0.3 2,-0.4 -0.962 24.9-119.9-137.5 155.7 -6.0 6.3 20.2 55 55 A K E -I 46 0B 94 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.3 -0.787 37.5-176.7 -97.3 142.4 -6.4 5.5 16.6 56 56 A V E -I 45 0B 2 -11,-4.2 -11,-2.0 -2,-0.4 2,-0.5 -0.937 31.9-115.4-141.0 164.2 -9.4 7.1 14.7 57 57 A R E -IJ 44 77B 87 20,-2.3 20,-2.2 -2,-0.3 2,-0.8 -0.826 31.0-145.5 -93.6 127.6 -11.3 7.3 11.5 58 58 A Q E -IJ 43 76B 24 -15,-3.1 -15,-1.0 -2,-0.5 2,-0.5 -0.831 16.5-173.0-100.0 107.3 -11.2 10.8 10.1 59 59 A Y E - J 0 75B 5 16,-2.2 16,-2.7 -2,-0.8 3,-0.3 -0.847 11.4-150.0 -98.9 129.1 -14.4 11.8 8.3 60 60 A D E + 0 0 77 -2,-0.5 14,-0.2 -19,-0.3 13,-0.0 -0.599 65.7 11.9 -99.9 159.6 -14.4 15.1 6.4 61 61 A Q E S+ 0 0 149 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.883 77.8 169.2 45.6 52.6 -17.2 17.6 5.7 62 62 A I E - J 0 73B 21 11,-3.0 11,-1.9 -3,-0.3 2,-0.5 -0.796 31.1-134.3 -93.2 132.9 -19.6 16.1 8.1 63 63 A L E + J 0 72B 91 -2,-0.4 -47,-0.6 9,-0.2 2,-0.4 -0.751 30.3 174.2 -86.7 125.6 -22.8 18.0 8.8 64 64 A I E -EJ 15 71B 2 7,-2.8 7,-1.6 -2,-0.5 2,-0.6 -0.988 24.8-146.2-128.7 143.7 -23.6 18.1 12.6 65 65 A E E -EJ 14 70B 51 -51,-2.6 -51,-1.8 -2,-0.4 2,-0.6 -0.945 17.2-165.4-107.9 118.3 -26.4 20.1 14.3 66 66 A I E > S-EJ 13 69B 0 3,-3.2 3,-1.6 -2,-0.6 -53,-0.2 -0.914 71.0 -30.2-107.9 113.3 -25.2 21.2 17.8 67 67 A C T 3 S- 0 0 58 -55,-2.5 -1,-0.2 -2,-0.6 -54,-0.1 0.885 129.2 -44.3 47.8 42.5 -27.9 22.4 20.1 68 68 A G T 3 S+ 0 0 58 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.577 116.9 110.8 83.5 7.5 -29.9 23.6 17.0 69 69 A H E < - J 0 66B 41 -3,-1.6 -3,-3.2 131,-0.0 -1,-0.2 -0.972 60.6-134.3-119.4 130.1 -27.0 25.2 15.2 70 70 A K E + J 0 65B 131 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.544 29.9 161.4 -83.8 146.7 -25.6 23.8 12.0 71 71 A A E - J 0 64B 4 -7,-1.6 -7,-2.8 -2,-0.2 2,-0.4 -0.969 23.6-148.8-156.3 154.7 -21.9 23.3 11.2 72 72 A I E + J 0 63B 78 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.999 41.5 109.0-129.9 133.0 -19.9 21.3 8.7 73 73 A G E - J 0 62B 11 -11,-1.9 -11,-3.0 -2,-0.4 2,-0.3 -0.968 64.4 -41.9-175.7-170.2 -16.4 20.0 9.5 74 74 A T E - 0 0 48 -2,-0.3 -43,-0.5 -13,-0.2 2,-0.4 -0.610 46.5-169.3 -79.2 133.4 -14.1 17.1 10.3 75 75 A V E - J 0 59B 0 -16,-2.7 -16,-2.2 -2,-0.3 2,-0.4 -0.984 8.7-150.7-126.6 123.9 -15.3 14.6 12.7 76 76 A L E -gJ 32 58B 1 -45,-2.9 -43,-3.5 -2,-0.4 2,-0.5 -0.738 9.0-159.9 -94.5 139.8 -13.1 11.9 14.3 77 77 A V E +gJ 33 57B 1 -20,-2.2 -20,-2.3 -2,-0.4 -43,-0.2 -0.966 35.9 95.0-121.8 125.1 -14.7 8.5 15.3 78 78 A G S S- 0 0 2 -45,-2.5 2,-2.8 -2,-0.5 -43,-0.4 -0.989 77.5 -35.1-178.0-171.2 -13.0 6.2 17.7 79 79 A P + 0 0 92 0, 0.0 -45,-0.1 0, 0.0 -23,-0.1 -0.107 69.7 146.8 -65.6 46.3 -12.5 4.8 21.2 80 80 A T - 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