==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-AUG-07 2R38 . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.BOETTCHER,A.BLUM,A.HEINE,W.E.DIEDERICH,G.KLEBE . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9740.0 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 . 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 . 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 . 7 3.5 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 1 0 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 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 3 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 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 83 0, 0.0 198,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 161.3 29.3 -4.0 -18.5 2 2 A Q E -A 198 0A 144 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.977 360.0-156.5-105.9 119.8 29.1 -6.3 -21.5 3 3 A I E -A 197 0A 37 194,-4.2 194,-2.2 -2,-0.5 2,-0.0 -0.909 5.0-139.9-111.5 125.9 28.1 -9.8 -20.2 4 4 A T - 0 0 58 -2,-0.5 3,-0.1 192,-0.2 192,-0.1 -0.274 4.0-146.6 -71.0 156.3 29.0 -12.9 -22.2 5 5 A L S S+ 0 0 2 190,-0.3 186,-0.2 1,-0.1 -1,-0.1 0.171 74.3 103.0-114.5 15.0 26.5 -15.8 -22.6 6 6 A W S S+ 0 0 184 185,-0.1 2,-0.3 184,-0.1 -1,-0.1 0.842 97.8 21.1 -56.7 -33.4 29.2 -18.6 -22.7 7 7 A Q S S- 0 0 125 -3,-0.1 0, 0.0 180,-0.0 0, 0.0 -0.813 111.3 -71.8-128.6 168.8 28.1 -19.1 -19.1 8 8 A R - 0 0 104 -2,-0.3 2,-1.7 1,-0.1 119,-0.1 -0.462 49.2-120.3 -64.8 135.0 25.0 -18.2 -17.1 9 9 A P + 0 0 4 0, 0.0 15,-3.0 0, 0.0 2,-0.4 -0.595 45.6 175.1 -79.5 82.2 24.9 -14.5 -16.5 10 10 A L E +D 23 0B 108 -2,-1.7 2,-0.3 13,-0.2 13,-0.2 -0.784 6.1 176.3 -94.3 133.7 24.9 -14.5 -12.8 11 11 A V E -D 22 0B 18 11,-3.1 11,-3.2 -2,-0.4 2,-0.3 -0.906 29.1-118.0-129.8 158.6 25.1 -11.4 -10.7 12 12 A T E -D 21 0B 88 -2,-0.3 55,-0.8 9,-0.2 2,-0.3 -0.744 33.3-171.3 -94.4 145.9 24.9 -10.6 -7.0 13 13 A I E -DE 20 66B 3 7,-2.6 7,-2.7 -2,-0.3 2,-0.5 -0.930 18.9-137.8-133.0 154.9 22.1 -8.4 -5.8 14 14 A K E +DE 19 65B 104 51,-2.2 51,-2.4 -2,-0.3 2,-0.3 -0.984 34.3 153.3-117.1 128.2 21.2 -6.7 -2.5 15 15 A I E > +D 18 0B 2 3,-2.8 3,-2.1 -2,-0.5 49,-0.1 -0.956 65.9 4.0-152.3 128.7 17.6 -6.9 -1.4 16 16 A G T 3 S- 0 0 55 47,-0.4 3,-0.1 -2,-0.3 21,-0.1 0.783 129.0 -61.6 70.4 22.2 16.0 -6.7 2.1 17 17 A G T 3 S+ 0 0 60 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.384 118.1 118.2 78.4 -5.2 19.5 -6.1 3.5 18 18 A Q E < -D 15 0B 75 -3,-2.1 -3,-2.8 2,-0.0 2,-0.4 -0.646 60.8-138.6 -94.7 147.1 20.3 -9.5 2.0 19 19 A L E +D 14 0B 121 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.872 30.1 172.8 -99.4 139.5 22.8 -10.4 -0.7 20 20 A K E -D 13 0B 29 -7,-2.7 -7,-2.6 -2,-0.4 2,-0.4 -0.997 31.4-123.4-146.4 149.4 21.7 -13.0 -3.2 21 21 A E E +D 12 0B 59 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.772 37.6 176.9 -89.7 139.2 23.0 -14.5 -6.5 22 22 A A E -D 11 0B 1 -11,-3.2 -11,-3.1 -2,-0.4 2,-0.5 -0.998 29.5-120.7-147.6 150.4 20.7 -14.2 -9.5 23 23 A L E -Df 10 84B 2 60,-2.4 62,-2.6 -2,-0.3 2,-0.8 -0.759 25.3-128.7 -85.9 122.8 20.4 -15.0 -13.2 24 24 A L E - f 0 85B 0 -15,-3.0 2,-0.6 -2,-0.5 62,-0.2 -0.626 38.8-175.4 -71.6 107.5 19.9 -12.1 -15.6 25 25 A D > - 0 0 18 60,-2.6 3,-1.2 -2,-0.8 62,-0.4 -0.843 29.8-178.6-124.4 102.7 16.9 -13.6 -17.5 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.607 87.2 63.0 -69.7 -12.8 15.3 -12.0 -20.6 27 27 A G T 3 S+ 0 0 11 81,-0.1 2,-0.6 96,-0.1 -1,-0.3 0.688 86.6 83.3 -84.5 -21.7 12.8 -14.8 -20.7 28 28 A A < - 0 0 18 -3,-1.2 59,-2.7 57,-0.2 60,-0.3 -0.723 63.0-159.8 -85.2 121.5 11.3 -13.9 -17.3 29 29 A D S S+ 0 0 60 -2,-0.6 59,-1.7 57,-0.2 2,-0.3 0.921 79.8 22.6 -63.1 -39.5 8.7 -11.2 -17.4 30 30 A D S S- 0 0 40 57,-0.2 2,-0.2 56,-0.1 57,-0.2 -0.864 91.1 -94.3-127.1 159.0 9.3 -10.6 -13.7 31 31 A T E -g 75 0B 0 43,-0.7 45,-2.9 -2,-0.3 2,-0.4 -0.558 38.7-167.4 -71.0 132.4 11.9 -11.2 -11.0 32 32 A V E +gH 76 84B 9 52,-1.8 52,-2.6 -2,-0.2 2,-0.3 -0.994 7.8 177.5-130.6 122.6 11.5 -14.4 -9.1 33 33 A L E -g 77 0B 0 43,-2.8 45,-2.2 -2,-0.4 47,-0.2 -0.919 32.9 -98.6-126.0 150.2 13.4 -15.2 -5.9 34 34 A E S S- 0 0 80 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.079 70.5 -54.4 -54.4 161.6 13.5 -18.1 -3.4 35 35 A E S S+ 0 0 105 43,-0.3 2,-0.3 42,-0.1 -1,-0.2 -0.123 78.4 137.6 -48.5 128.3 11.5 -17.8 -0.1 36 36 A M - 0 0 15 -3,-0.2 2,-0.3 2,-0.0 -3,-0.1 -0.953 52.4 -96.0-162.1 163.0 12.4 -14.7 1.8 37 37 A S + 0 0 93 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.675 38.1 177.5 -88.1 143.7 10.7 -11.9 3.8 38 38 A L - 0 0 14 -2,-0.3 2,-0.1 2,-0.1 24,-0.0 -0.982 27.9-109.2-140.7 152.5 9.9 -8.6 2.2 39 39 A P S S+ 0 0 98 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.455 70.1 15.2 -82.4 152.5 8.1 -5.5 3.6 40 40 A G S S- 0 0 66 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.338 95.6 -20.8 93.3-165.5 4.7 -4.3 2.6 41 41 A R + 0 0 89 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.382 54.8 175.3 -80.7 161.2 1.7 -5.7 0.9 42 42 A W E -I 59 0B 132 17,-0.2 17,-0.2 -2,-0.1 15,-0.0 -0.953 15.8-148.7-153.4 168.6 1.6 -8.6 -1.5 43 43 A K E -I 58 0B 109 15,-1.4 15,-3.5 -2,-0.3 2,-0.2 -0.979 28.3-102.1-142.3 153.2 -0.8 -10.7 -3.5 44 44 A P E +I 57 0B 83 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.449 41.0 169.8 -78.1 145.8 -0.8 -14.3 -4.6 45 45 A K E -I 56 0B 79 11,-1.9 11,-3.3 -2,-0.2 2,-0.5 -0.959 27.5-135.2-149.7 150.0 0.1 -15.3 -8.2 46 46 A M E -I 55 0B 112 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.968 23.3-175.3-109.9 130.4 0.8 -18.5 -10.1 47 47 A I E -I 54 0B 26 7,-2.7 7,-2.8 -2,-0.5 2,-0.3 -0.913 7.3-174.7-125.6 154.4 3.7 -18.5 -12.5 48 48 A G E +I 53 0B 36 -2,-0.3 5,-0.3 5,-0.3 2,-0.2 -0.967 18.9 144.1-152.1 156.9 4.7 -21.3 -14.8 49 49 A G E > -I 52 0B 23 3,-2.6 3,-2.5 -2,-0.3 100,-0.1 -0.779 66.0 -11.1-160.7-154.7 7.2 -22.8 -17.3 50 50 A I T 3 S+ 0 0 24 1,-0.3 101,-1.4 -2,-0.2 102,-0.6 -0.423 132.0 26.2 -56.7 130.1 8.6 -26.1 -18.3 51 51 A G T 3 S- 0 0 37 128,-0.3 2,-0.3 100,-0.2 -1,-0.3 0.184 122.4 -88.4 99.6 -16.5 7.6 -28.5 -15.5 52 52 A G E < -I 49 0B 26 -3,-2.5 -3,-2.6 100,-0.1 99,-0.4 -0.829 58.7 -35.9 120.0-158.0 4.5 -26.6 -14.5 53 53 A F E -I 48 0B 137 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.787 34.2-165.5-115.8 153.2 3.5 -23.9 -12.2 54 54 A I E -I 47 0B 21 -7,-2.8 -7,-2.7 -2,-0.3 2,-0.4 -0.940 25.0-117.6-129.5 157.5 4.3 -22.6 -8.7 55 55 A K E +I 46 0B 143 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.754 36.9 177.7 -92.0 137.5 2.6 -20.2 -6.4 56 56 A V E -I 45 0B 3 -11,-3.3 -11,-1.9 -2,-0.4 2,-0.5 -0.908 31.2-118.3-134.3 162.2 4.4 -17.0 -5.5 57 57 A R E -IJ 44 77B 50 20,-2.9 20,-2.9 -2,-0.3 2,-0.7 -0.915 28.3-143.8-100.2 128.1 3.8 -13.8 -3.5 58 58 A Q E -IJ 43 76B 24 -15,-3.5 -15,-1.4 -2,-0.5 2,-0.4 -0.843 18.5-177.0 -96.8 115.5 4.0 -10.7 -5.6 59 59 A Y E -IJ 42 75B 11 16,-2.7 16,-2.8 -2,-0.7 3,-0.3 -0.911 10.2-155.5-107.1 135.4 5.5 -7.6 -3.9 60 60 A D E + 0 0 60 -19,-0.5 14,-0.2 -2,-0.4 -19,-0.1 -0.688 64.7 24.4-109.0 165.4 5.6 -4.3 -5.7 61 61 A Q E S+ 0 0 166 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.898 77.0 165.0 51.8 49.2 7.9 -1.2 -5.4 62 62 A I E - J 0 73B 11 11,-2.9 11,-2.2 -3,-0.3 2,-0.4 -0.810 35.5-128.0 -98.2 136.2 10.8 -3.2 -3.9 63 63 A L E + J 0 72B 66 -2,-0.4 -47,-0.4 9,-0.2 2,-0.4 -0.641 33.6 173.7 -81.4 127.4 14.2 -1.6 -3.8 64 64 A I E - J 0 71B 6 7,-3.2 7,-3.4 -2,-0.4 2,-0.5 -0.998 22.4-148.6-136.5 143.0 17.0 -3.7 -5.3 65 65 A E E +EJ 14 70B 63 -51,-2.4 -51,-2.2 -2,-0.4 2,-0.4 -0.946 20.8 172.7-113.0 133.9 20.6 -3.1 -6.0 66 66 A I E > -EJ 13 69B 5 3,-3.1 3,-2.3 -2,-0.5 -53,-0.2 -0.978 69.4 -15.9-144.4 115.4 22.2 -4.8 -9.0 67 67 A C T 3 S- 0 0 54 -55,-0.8 3,-0.1 -2,-0.4 -1,-0.1 0.912 128.7 -52.8 53.4 43.6 25.7 -4.1 -10.3 68 68 A G T 3 S+ 0 0 64 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.564 116.1 120.2 68.9 4.8 25.8 -0.9 -8.3 69 69 A H E < - J 0 66B 65 -3,-2.3 -3,-3.1 2,-0.0 2,-0.6 -0.861 56.2-144.7 -99.8 138.9 22.5 0.1 -9.9 70 70 A K E + J 0 65B 165 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.872 26.3 174.0-102.0 126.4 19.5 0.8 -7.7 71 71 A A E - J 0 64B 5 -7,-3.4 -7,-3.2 -2,-0.6 2,-0.4 -0.898 23.0-144.9-129.5 157.6 16.2 -0.2 -9.2 72 72 A I E + J 0 63B 95 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.983 42.5 109.8-120.0 130.8 12.6 -0.4 -8.0 73 73 A G E - 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